data_5HDN # _entry.id 5HDN # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.284 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5HDN WWPDB D_1000216870 # loop_ _pdbx_database_related.db_name _pdbx_database_related.details _pdbx_database_related.db_id _pdbx_database_related.content_type PDB . 5HDG unspecified PDB . 5HDK unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5HDN _pdbx_database_status.recvd_initial_deposition_date 2016-01-05 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Feng, H.' 1 'Liu, W.' 2 'Wang, D.C.' 3 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country ? _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'To Be Published' _citation.journal_id_ASTM ? _citation.journal_id_CSD 0353 _citation.journal_id_ISSN ? _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume ? _citation.language ? _citation.page_first ? _citation.page_last ? _citation.title 'HSF1-DBD crystal structure' _citation.year ? _citation.database_id_CSD ? _citation.pdbx_database_id_DOI ? _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Feng, H.' 1 primary 'Liu, W.' 2 primary 'Wang, D.C.' 3 # _cell.entry_id 5HDN _cell.length_a 39.415 _cell.length_b 127.367 _cell.length_c 55.268 _cell.angle_alpha 90.00 _cell.angle_beta 100.55 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5HDN _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Heat shock factor protein 1' 13156.973 4 ? ? 'UNP residues 15-120' ? 2 polymer man ;DNA (5'-D(*GP*GP*TP*TP*CP*TP*AP*GP*AP*AP*CP*C)-3') ; 3662.404 4 ? ? ? ? 3 non-polymer syn 'CITRIC ACID' 192.124 1 ? ? ? ? 4 non-polymer syn 'SODIUM ION' 22.990 3 ? ? ? ? 5 water nat water 18.015 708 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'HSF 1,Heat shock transcription factor 1,HSTF 1' # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;HHHHHHVPAFLTKLWTLVSDPDTDALICWSPSGNSFHVFDQGQFAKEVLPKYFKHNNMASFVRQLNMYGFRKVVHIEQGG LVKPERDDTEFQHPCFLRGQEQLLENIKRKVT ; ;HHHHHHVPAFLTKLWTLVSDPDTDALICWSPSGNSFHVFDQGQFAKEVLPKYFKHNNMASFVRQLNMYGFRKVVHIEQGG LVKPERDDTEFQHPCFLRGQEQLLENIKRKVT ; A,B,C,D ? 2 polydeoxyribonucleotide no no '(DG)(DG)(DT)(DT)(DC)(DT)(DA)(DG)(DA)(DA)(DC)(DC)' GGTTCTAGAACC E,F,G,H ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 HIS n 1 2 HIS n 1 3 HIS n 1 4 HIS n 1 5 HIS n 1 6 HIS n 1 7 VAL n 1 8 PRO n 1 9 ALA n 1 10 PHE n 1 11 LEU n 1 12 THR n 1 13 LYS n 1 14 LEU n 1 15 TRP n 1 16 THR n 1 17 LEU n 1 18 VAL n 1 19 SER n 1 20 ASP n 1 21 PRO n 1 22 ASP n 1 23 THR n 1 24 ASP n 1 25 ALA n 1 26 LEU n 1 27 ILE n 1 28 CYS n 1 29 TRP n 1 30 SER n 1 31 PRO n 1 32 SER n 1 33 GLY n 1 34 ASN n 1 35 SER n 1 36 PHE n 1 37 HIS n 1 38 VAL n 1 39 PHE n 1 40 ASP n 1 41 GLN n 1 42 GLY n 1 43 GLN n 1 44 PHE n 1 45 ALA n 1 46 LYS n 1 47 GLU n 1 48 VAL n 1 49 LEU n 1 50 PRO n 1 51 LYS n 1 52 TYR n 1 53 PHE n 1 54 LYS n 1 55 HIS n 1 56 ASN n 1 57 ASN n 1 58 MET n 1 59 ALA n 1 60 SER n 1 61 PHE n 1 62 VAL n 1 63 ARG n 1 64 GLN n 1 65 LEU n 1 66 ASN n 1 67 MET n 1 68 TYR n 1 69 GLY n 1 70 PHE n 1 71 ARG n 1 72 LYS n 1 73 VAL n 1 74 VAL n 1 75 HIS n 1 76 ILE n 1 77 GLU n 1 78 GLN n 1 79 GLY n 1 80 GLY n 1 81 LEU n 1 82 VAL n 1 83 LYS n 1 84 PRO n 1 85 GLU n 1 86 ARG n 1 87 ASP n 1 88 ASP n 1 89 THR n 1 90 GLU n 1 91 PHE n 1 92 GLN n 1 93 HIS n 1 94 PRO n 1 95 CYS n 1 96 PHE n 1 97 LEU n 1 98 ARG n 1 99 GLY n 1 100 GLN n 1 101 GLU n 1 102 GLN n 1 103 LEU n 1 104 LEU n 1 105 GLU n 1 106 ASN n 1 107 ILE n 1 108 LYS n 1 109 ARG n 1 110 LYS n 1 111 VAL n 1 112 THR n 2 1 DG n 2 2 DG n 2 3 DT n 2 4 DT n 2 5 DC n 2 6 DT n 2 7 DA n 2 8 DG n 2 9 DA n 2 10 DA n 2 11 DC n 2 12 DC n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample 'Biological sequence' 1 112 Human ? 'HSF1, HSTF1' ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample 'Biological sequence' 1 12 ? ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 UNP HSF1_HUMAN Q00613 ? 1 ;VPAFLTKLWTLVSDPDTDALICWSPSGNSFHVFDQGQFAKEVLPKYFKHNNMASFVRQLNMYGFRKVVHIEQGGLVKPER DDTEFQHPCFLRGQEQLLENIKRKVT ; 15 2 PDB 5HDN 5HDN ? 2 ? 1 # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 5HDN A 7 ? 112 ? Q00613 15 ? 120 ? 15 120 2 1 5HDN B 7 ? 112 ? Q00613 15 ? 120 ? 15 120 3 2 5HDN E 1 ? 12 ? 5HDN 1 ? 12 ? 1 12 4 2 5HDN F 1 ? 12 ? 5HDN 1 ? 12 ? 1 12 5 1 5HDN C 7 ? 112 ? Q00613 15 ? 120 ? 15 120 6 1 5HDN D 7 ? 112 ? Q00613 15 ? 120 ? 15 120 7 2 5HDN G 1 ? 12 ? 5HDN 1 ? 12 ? 1 12 8 2 5HDN H 1 ? 12 ? 5HDN 1 ? 12 ? 1 12 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 5HDN HIS A 1 ? UNP Q00613 ? ? 'expression tag' 9 1 1 5HDN HIS A 2 ? UNP Q00613 ? ? 'expression tag' 10 2 1 5HDN HIS A 3 ? UNP Q00613 ? ? 'expression tag' 11 3 1 5HDN HIS A 4 ? UNP Q00613 ? ? 'expression tag' 12 4 1 5HDN HIS A 5 ? UNP Q00613 ? ? 'expression tag' 13 5 1 5HDN HIS A 6 ? UNP Q00613 ? ? 'expression tag' 14 6 2 5HDN HIS B 1 ? UNP Q00613 ? ? 'expression tag' 9 7 2 5HDN HIS B 2 ? UNP Q00613 ? ? 'expression tag' 10 8 2 5HDN HIS B 3 ? UNP Q00613 ? ? 'expression tag' 11 9 2 5HDN HIS B 4 ? UNP Q00613 ? ? 'expression tag' 12 10 2 5HDN HIS B 5 ? UNP Q00613 ? ? 'expression tag' 13 11 2 5HDN HIS B 6 ? UNP Q00613 ? ? 'expression tag' 14 12 5 5HDN HIS C 1 ? UNP Q00613 ? ? 'expression tag' 9 13 5 5HDN HIS C 2 ? UNP Q00613 ? ? 'expression tag' 10 14 5 5HDN HIS C 3 ? UNP Q00613 ? ? 'expression tag' 11 15 5 5HDN HIS C 4 ? UNP Q00613 ? ? 'expression tag' 12 16 5 5HDN HIS C 5 ? UNP Q00613 ? ? 'expression tag' 13 17 5 5HDN HIS C 6 ? UNP Q00613 ? ? 'expression tag' 14 18 6 5HDN HIS D 1 ? UNP Q00613 ? ? 'expression tag' 9 19 6 5HDN HIS D 2 ? UNP Q00613 ? ? 'expression tag' 10 20 6 5HDN HIS D 3 ? UNP Q00613 ? ? 'expression tag' 11 21 6 5HDN HIS D 4 ? UNP Q00613 ? ? 'expression tag' 12 22 6 5HDN HIS D 5 ? UNP Q00613 ? ? 'expression tag' 13 23 6 5HDN HIS D 6 ? UNP Q00613 ? ? 'expression tag' 14 24 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CIT non-polymer . 'CITRIC ACID' ? 'C6 H8 O7' 192.124 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 DA 'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.222 DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197 DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221 DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.208 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NA non-polymer . 'SODIUM ION' ? 'Na 1' 22.990 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5HDN _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.10 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 41.44 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 3.8 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '6%v/v Ethylene glycol, 0.1M citric acid PH3.8, 10%w/v PEG6000.' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS3 6M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2015-12-06 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97845 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'SSRF BEAMLINE BL19U1' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97845 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BL19U1 _diffrn_source.pdbx_synchrotron_site SSRF # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5HDN _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.68 _reflns.d_resolution_low 41.334 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 118571 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 98.38 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 5.7 _reflns.pdbx_Rmerge_I_obs 0.047 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.047 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 15.68 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 1.68 _reflns_shell.d_res_low 1.72 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 3 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 88.6 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.477 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 2.64 _reflns_shell.pdbx_Rsym_value 0.477 _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5HDN _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 118571 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.35 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 41.334 _refine.ls_d_res_high 1.680 _refine.ls_percent_reflns_obs 98.38 _refine.ls_R_factor_obs 0.1755 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1741 _refine.ls_R_factor_R_free 0.2019 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.07 _refine.ls_number_reflns_R_free 6012 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method NONE _refine.details ? _refine.pdbx_starting_model 5HDG _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.18 _refine.pdbx_overall_phase_error 22.04 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3332 _refine_hist.pdbx_number_atoms_nucleic_acid 972 _refine_hist.pdbx_number_atoms_ligand 16 _refine_hist.number_atoms_solvent 710 _refine_hist.number_atoms_total 5030 _refine_hist.d_res_high 1.680 _refine_hist.d_res_low 41.334 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function f_bond_d 0.006 ? ? 4530 'X-RAY DIFFRACTION' ? f_angle_d 0.943 ? ? 6319 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 20.075 ? ? 1725 'X-RAY DIFFRACTION' ? f_chiral_restr 0.042 ? ? 666 'X-RAY DIFFRACTION' ? f_plane_restr 0.005 ? ? 651 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.number_reflns_obs 'X-RAY DIFFRACTION' . 1.6800 1.6991 3345 0.2635 87.00 0.3158 . . 179 . . . . 'X-RAY DIFFRACTION' . 1.6991 1.7191 3503 0.2545 90.00 0.2667 . . 187 . . . . 'X-RAY DIFFRACTION' . 1.7191 1.7400 3455 0.2526 93.00 0.2871 . . 166 . . . . 'X-RAY DIFFRACTION' . 1.7400 1.7621 3647 0.2405 96.00 0.2638 . . 205 . . . . 'X-RAY DIFFRACTION' . 1.7621 1.7853 3829 0.2352 99.00 0.2487 . . 231 . . . . 'X-RAY DIFFRACTION' . 1.7853 1.8097 3744 0.2343 100.00 0.2713 . . 213 . . . . 'X-RAY DIFFRACTION' . 1.8097 1.8356 3835 0.2198 100.00 0.2546 . . 175 . . . . 'X-RAY DIFFRACTION' . 1.8356 1.8630 3906 0.2156 100.00 0.2216 . . 138 . . . . 'X-RAY DIFFRACTION' . 1.8630 1.8921 3768 0.2206 100.00 0.2479 . . 222 . . . . 'X-RAY DIFFRACTION' . 1.8921 1.9231 3769 0.2199 99.00 0.2731 . . 177 . . . . 'X-RAY DIFFRACTION' . 1.9231 1.9563 3841 0.2008 100.00 0.2406 . . 204 . . . . 'X-RAY DIFFRACTION' . 1.9563 1.9918 3834 0.1960 100.00 0.2034 . . 207 . . . . 'X-RAY DIFFRACTION' . 1.9918 2.0301 3758 0.1879 100.00 0.2532 . . 203 . . . . 'X-RAY DIFFRACTION' . 2.0301 2.0716 3822 0.1963 99.00 0.2325 . . 212 . . . . 'X-RAY DIFFRACTION' . 2.0716 2.1166 3768 0.1863 100.00 0.2418 . . 222 . . . . 'X-RAY DIFFRACTION' . 2.1166 2.1659 3812 0.1858 100.00 0.2043 . . 195 . . . . 'X-RAY DIFFRACTION' . 2.1659 2.2200 3822 0.1890 100.00 0.2524 . . 212 . . . . 'X-RAY DIFFRACTION' . 2.2200 2.2800 3743 0.1900 99.00 0.2381 . . 203 . . . . 'X-RAY DIFFRACTION' . 2.2800 2.3471 3805 0.1811 100.00 0.2165 . . 188 . . . . 'X-RAY DIFFRACTION' . 2.3471 2.4229 3760 0.1786 100.00 0.2566 . . 231 . . . . 'X-RAY DIFFRACTION' . 2.4229 2.5095 3821 0.1724 100.00 0.2090 . . 207 . . . . 'X-RAY DIFFRACTION' . 2.5095 2.6099 3818 0.1739 100.00 0.1980 . . 213 . . . . 'X-RAY DIFFRACTION' . 2.6099 2.7287 3775 0.1894 100.00 0.1907 . . 212 . . . . 'X-RAY DIFFRACTION' . 2.7287 2.8725 3798 0.1747 100.00 0.1975 . . 170 . . . . 'X-RAY DIFFRACTION' . 2.8725 3.0524 3862 0.1843 100.00 0.2236 . . 213 . . . . 'X-RAY DIFFRACTION' . 3.0524 3.2880 3749 0.1576 99.00 0.1875 . . 206 . . . . 'X-RAY DIFFRACTION' . 3.2880 3.6187 3795 0.1455 99.00 0.1593 . . 201 . . . . 'X-RAY DIFFRACTION' . 3.6187 4.1419 3730 0.1444 100.00 0.1722 . . 241 . . . . 'X-RAY DIFFRACTION' . 4.1419 5.2168 3778 0.1315 99.00 0.1631 . . 206 . . . . 'X-RAY DIFFRACTION' . 5.2168 41.3464 3667 0.1703 95.00 0.1668 . . 173 . . . . # _struct.entry_id 5HDN _struct.title 'Crystal structure of heat shock factor1-DBD complex with ds-DNA and TtT' _struct.pdbx_descriptor 'Heat shock factor protein 1/DNA Complex' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5HDN _struct_keywords.text 'HSF1-DBD, TtT, TRANSCRIPTION' _struct_keywords.pdbx_keywords TRANSCRIPTION # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 2 ? E N N 1 ? F N N 1 ? G N N 2 ? H N N 2 ? I N N 3 ? J N N 4 ? K N N 4 ? L N N 4 ? M N N 5 ? N N N 5 ? O N N 5 ? P N N 5 ? Q N N 5 ? R N N 5 ? S N N 5 ? T N N 5 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 PRO A 8 ? ASP A 20 ? PRO A 16 ASP A 28 1 ? 13 HELX_P HELX_P2 AA2 PRO A 21 ? ASP A 24 ? PRO A 29 ASP A 32 5 ? 4 HELX_P HELX_P3 AA3 ASP A 40 ? VAL A 48 ? ASP A 48 VAL A 56 1 ? 9 HELX_P HELX_P4 AA4 VAL A 48 ? PHE A 53 ? VAL A 56 PHE A 61 1 ? 6 HELX_P HELX_P5 AA5 ASN A 57 ? TYR A 68 ? ASN A 65 TYR A 76 1 ? 12 HELX_P HELX_P6 AA6 GLN A 100 ? ILE A 107 ? GLN A 108 ILE A 115 5 ? 8 HELX_P HELX_P7 AA7 PRO B 8 ? ASP B 20 ? PRO B 16 ASP B 28 1 ? 13 HELX_P HELX_P8 AA8 PRO B 21 ? ASP B 24 ? PRO B 29 ASP B 32 5 ? 4 HELX_P HELX_P9 AA9 ASP B 40 ? VAL B 48 ? ASP B 48 VAL B 56 1 ? 9 HELX_P HELX_P10 AB1 VAL B 48 ? PHE B 53 ? VAL B 56 PHE B 61 1 ? 6 HELX_P HELX_P11 AB2 ASN B 57 ? TYR B 68 ? ASN B 65 TYR B 76 1 ? 12 HELX_P HELX_P12 AB3 GLN B 100 ? ILE B 107 ? GLN B 108 ILE B 115 5 ? 8 HELX_P HELX_P13 AB4 PRO E 8 ? ASP E 20 ? PRO C 16 ASP C 28 1 ? 13 HELX_P HELX_P14 AB5 PRO E 21 ? ASP E 24 ? PRO C 29 ASP C 32 5 ? 4 HELX_P HELX_P15 AB6 ASP E 40 ? VAL E 48 ? ASP C 48 VAL C 56 1 ? 9 HELX_P HELX_P16 AB7 VAL E 48 ? PHE E 53 ? VAL C 56 PHE C 61 1 ? 6 HELX_P HELX_P17 AB8 ASN E 57 ? TYR E 68 ? ASN C 65 TYR C 76 1 ? 12 HELX_P HELX_P18 AB9 GLN E 100 ? ILE E 107 ? GLN C 108 ILE C 115 5 ? 8 HELX_P HELX_P19 AC1 PRO F 8 ? ASP F 20 ? PRO D 16 ASP D 28 1 ? 13 HELX_P HELX_P20 AC2 PRO F 21 ? ASP F 24 ? PRO D 29 ASP D 32 5 ? 4 HELX_P HELX_P21 AC3 ASP F 40 ? VAL F 48 ? ASP D 48 VAL D 56 1 ? 9 HELX_P HELX_P22 AC4 VAL F 48 ? PHE F 53 ? VAL D 56 PHE D 61 1 ? 6 HELX_P HELX_P23 AC5 ASN F 57 ? TYR F 68 ? ASN D 65 TYR D 76 1 ? 12 HELX_P HELX_P24 AC6 GLN F 100 ? ILE F 107 ? GLN D 108 ILE D 115 5 ? 8 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order metalc1 metalc ? ? A LEU 17 O ? ? ? 1_555 J NA . NA ? ? A LEU 25 A NA 202 1_555 ? ? ? ? ? ? ? 2.892 ? metalc2 metalc ? ? A VAL 18 O ? ? ? 1_555 J NA . NA ? ? A VAL 26 A NA 202 1_555 ? ? ? ? ? ? ? 2.482 ? metalc3 metalc ? ? A ASP 20 O ? ? ? 1_555 J NA . NA ? ? A ASP 28 A NA 202 1_555 ? ? ? ? ? ? ? 2.391 ? metalc4 metalc ? ? A THR 23 OG1 ? ? ? 1_555 J NA . NA ? ? A THR 31 A NA 202 1_555 ? ? ? ? ? ? ? 2.542 ? metalc5 metalc ? ? A ASP 24 OD1 ? ? ? 1_555 J NA . NA ? ? A ASP 32 A NA 202 1_555 ? ? ? ? ? ? ? 2.431 ? metalc6 metalc ? ? A ILE 27 O ? ? ? 1_555 J NA . NA ? ? A ILE 35 A NA 202 1_555 ? ? ? ? ? ? ? 2.412 ? metalc7 metalc ? ? B LEU 17 O ? ? ? 1_555 K NA . NA ? ? B LEU 25 B NA 201 1_555 ? ? ? ? ? ? ? 3.083 ? metalc8 metalc ? ? B VAL 18 O ? ? ? 1_555 K NA . NA ? ? B VAL 26 B NA 201 1_555 ? ? ? ? ? ? ? 2.577 ? metalc9 metalc ? ? B ASP 20 O ? ? ? 1_555 K NA . NA ? ? B ASP 28 B NA 201 1_555 ? ? ? ? ? ? ? 2.328 ? metalc10 metalc ? ? B THR 23 OG1 ? ? ? 1_555 K NA . NA ? ? B THR 31 B NA 201 1_555 ? ? ? ? ? ? ? 2.456 ? metalc11 metalc ? ? B ASP 24 OD1 ? ? ? 1_555 K NA . NA ? ? B ASP 32 B NA 201 1_555 ? ? ? ? ? ? ? 2.333 ? metalc12 metalc ? ? B ILE 27 O ? ? ? 1_555 K NA . NA ? ? B ILE 35 B NA 201 1_555 ? ? ? ? ? ? ? 2.520 ? metalc13 metalc ? ? F LEU 17 O ? ? ? 1_555 L NA . NA ? ? D LEU 25 D NA 201 1_555 ? ? ? ? ? ? ? 2.845 ? metalc14 metalc ? ? F VAL 18 O ? ? ? 1_555 L NA . NA ? ? D VAL 26 D NA 201 1_555 ? ? ? ? ? ? ? 2.519 ? metalc15 metalc ? ? F ASP 20 O ? ? ? 1_555 L NA . NA ? ? D ASP 28 D NA 201 1_555 ? ? ? ? ? ? ? 2.487 ? metalc16 metalc ? ? F THR 23 OG1 ? ? ? 1_555 L NA . NA ? ? D THR 31 D NA 201 1_555 ? ? ? ? ? ? ? 2.447 ? metalc17 metalc ? ? F ASP 24 OD1 ? ? ? 1_555 L NA . NA ? ? D ASP 32 D NA 201 1_555 ? ? ? ? ? ? ? 2.399 ? metalc18 metalc ? ? F ILE 27 O ? ? ? 1_555 L NA . NA ? ? D ILE 35 D NA 201 1_555 ? ? ? ? ? ? ? 2.372 ? hydrog1 hydrog ? ? C DG 1 N1 ? ? ? 1_555 D DC 12 N3 ? ? E DG 1 F DC 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog2 hydrog ? ? C DG 1 N2 ? ? ? 1_555 D DC 12 O2 ? ? E DG 1 F DC 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog3 hydrog ? ? C DG 1 O6 ? ? ? 1_555 D DC 12 N4 ? ? E DG 1 F DC 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog4 hydrog ? ? C DG 2 N1 ? ? ? 1_555 D DC 11 N3 ? ? E DG 2 F DC 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog5 hydrog ? ? C DG 2 N2 ? ? ? 1_555 D DC 11 O2 ? ? E DG 2 F DC 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog6 hydrog ? ? C DG 2 O6 ? ? ? 1_555 D DC 11 N4 ? ? E DG 2 F DC 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog7 hydrog ? ? C DT 3 N3 ? ? ? 1_555 D DA 10 N1 ? ? E DT 3 F DA 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog8 hydrog ? ? C DT 3 O4 ? ? ? 1_555 D DA 10 N6 ? ? E DT 3 F DA 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog9 hydrog ? ? C DT 4 N3 ? ? ? 1_555 D DA 9 N1 ? ? E DT 4 F DA 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog10 hydrog ? ? C DT 4 O4 ? ? ? 1_555 D DA 9 N6 ? ? E DT 4 F DA 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog11 hydrog ? ? C DC 5 N3 ? ? ? 1_555 D DG 8 N1 ? ? E DC 5 F DG 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog12 hydrog ? ? C DC 5 N4 ? ? ? 1_555 D DG 8 O6 ? ? E DC 5 F DG 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog13 hydrog ? ? C DC 5 O2 ? ? ? 1_555 D DG 8 N2 ? ? E DC 5 F DG 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog14 hydrog ? ? C DT 6 N3 ? ? ? 1_555 D DA 7 N1 ? ? E DT 6 F DA 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog15 hydrog ? ? C DT 6 O4 ? ? ? 1_555 D DA 7 N6 ? ? E DT 6 F DA 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog16 hydrog ? ? C DA 7 N1 ? ? ? 1_555 D DT 6 N3 ? ? E DA 7 F DT 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog17 hydrog ? ? C DA 7 N6 ? ? ? 1_555 D DT 6 O4 ? ? E DA 7 F DT 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog18 hydrog ? ? C DG 8 N1 ? ? ? 1_555 D DC 5 N3 ? ? E DG 8 F DC 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog19 hydrog ? ? C DG 8 N2 ? ? ? 1_555 D DC 5 O2 ? ? E DG 8 F DC 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog20 hydrog ? ? C DG 8 O6 ? ? ? 1_555 D DC 5 N4 ? ? E DG 8 F DC 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog21 hydrog ? ? C DA 9 N1 ? ? ? 1_555 D DT 4 N3 ? ? E DA 9 F DT 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog22 hydrog ? ? C DA 9 N6 ? ? ? 1_555 D DT 4 O4 ? ? E DA 9 F DT 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog23 hydrog ? ? C DA 10 N1 ? ? ? 1_555 D DT 3 N3 ? ? E DA 10 F DT 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog24 hydrog ? ? C DA 10 N6 ? ? ? 1_555 D DT 3 O4 ? ? E DA 10 F DT 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog25 hydrog ? ? C DC 11 N3 ? ? ? 1_555 D DG 2 N1 ? ? E DC 11 F DG 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog26 hydrog ? ? C DC 11 N4 ? ? ? 1_555 D DG 2 O6 ? ? E DC 11 F DG 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog27 hydrog ? ? C DC 11 O2 ? ? ? 1_555 D DG 2 N2 ? ? E DC 11 F DG 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog28 hydrog ? ? C DC 12 N3 ? ? ? 1_555 D DG 1 N1 ? ? E DC 12 F DG 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog29 hydrog ? ? C DC 12 N4 ? ? ? 1_555 D DG 1 O6 ? ? E DC 12 F DG 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog30 hydrog ? ? C DC 12 O2 ? ? ? 1_555 D DG 1 N2 ? ? E DC 12 F DG 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog31 hydrog ? ? G DG 1 N1 ? ? ? 1_555 H DC 12 N3 ? ? G DG 1 H DC 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog32 hydrog ? ? G DG 1 N2 ? ? ? 1_555 H DC 12 O2 ? ? G DG 1 H DC 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog33 hydrog ? ? G DG 1 O6 ? ? ? 1_555 H DC 12 N4 ? ? G DG 1 H DC 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog34 hydrog ? ? G DG 2 N1 ? ? ? 1_555 H DC 11 N3 ? ? G DG 2 H DC 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog35 hydrog ? ? G DG 2 N2 ? ? ? 1_555 H DC 11 O2 ? ? G DG 2 H DC 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog36 hydrog ? ? G DG 2 O6 ? ? ? 1_555 H DC 11 N4 ? ? G DG 2 H DC 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog37 hydrog ? ? G DT 3 N3 ? ? ? 1_555 H DA 10 N1 ? ? G DT 3 H DA 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog38 hydrog ? ? G DT 3 O4 ? ? ? 1_555 H DA 10 N6 ? ? G DT 3 H DA 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog39 hydrog ? ? G DT 4 N3 ? ? ? 1_555 H DA 9 N1 ? ? G DT 4 H DA 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog40 hydrog ? ? G DT 4 O4 ? ? ? 1_555 H DA 9 N6 ? ? G DT 4 H DA 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog41 hydrog ? ? G DC 5 N3 ? ? ? 1_555 H DG 8 N1 ? ? G DC 5 H DG 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog42 hydrog ? ? G DC 5 N4 ? ? ? 1_555 H DG 8 O6 ? ? G DC 5 H DG 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog43 hydrog ? ? G DC 5 O2 ? ? ? 1_555 H DG 8 N2 ? ? G DC 5 H DG 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog44 hydrog ? ? G DT 6 N3 ? ? ? 1_555 H DA 7 N1 ? ? G DT 6 H DA 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog45 hydrog ? ? G DT 6 O4 ? ? ? 1_555 H DA 7 N6 ? ? G DT 6 H DA 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog46 hydrog ? ? G DA 7 N1 ? ? ? 1_555 H DT 6 N3 ? ? G DA 7 H DT 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog47 hydrog ? ? G DA 7 N6 ? ? ? 1_555 H DT 6 O4 ? ? G DA 7 H DT 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog48 hydrog ? ? G DG 8 N1 ? ? ? 1_555 H DC 5 N3 ? ? G DG 8 H DC 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog49 hydrog ? ? G DG 8 N2 ? ? ? 1_555 H DC 5 O2 ? ? G DG 8 H DC 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog50 hydrog ? ? G DG 8 O6 ? ? ? 1_555 H DC 5 N4 ? ? G DG 8 H DC 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog51 hydrog ? ? G DA 9 N1 ? ? ? 1_555 H DT 4 N3 ? ? G DA 9 H DT 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog52 hydrog ? ? G DA 9 N6 ? ? ? 1_555 H DT 4 O4 ? ? G DA 9 H DT 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog53 hydrog ? ? G DA 10 N1 ? ? ? 1_555 H DT 3 N3 ? ? G DA 10 H DT 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog54 hydrog ? ? G DA 10 N6 ? ? ? 1_555 H DT 3 O4 ? ? G DA 10 H DT 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog55 hydrog ? ? G DC 11 N3 ? ? ? 1_555 H DG 2 N1 ? ? G DC 11 H DG 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog56 hydrog ? ? G DC 11 N4 ? ? ? 1_555 H DG 2 O6 ? ? G DC 11 H DG 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog57 hydrog ? ? G DC 11 O2 ? ? ? 1_555 H DG 2 N2 ? ? G DC 11 H DG 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog58 hydrog ? ? G DC 12 N3 ? ? ? 1_555 H DG 1 N1 ? ? G DC 12 H DG 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog59 hydrog ? ? G DC 12 N4 ? ? ? 1_555 H DG 1 O6 ? ? G DC 12 H DG 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog60 hydrog ? ? G DC 12 O2 ? ? ? 1_555 H DG 1 N2 ? ? G DC 12 H DG 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference metalc ? ? hydrog ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 8 ? AA2 ? 8 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA1 5 6 ? anti-parallel AA1 6 7 ? anti-parallel AA1 7 8 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? anti-parallel AA2 5 6 ? anti-parallel AA2 6 7 ? anti-parallel AA2 7 8 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 ILE A 27 ? TRP A 29 ? ILE A 35 TRP A 37 AA1 2 PHE A 36 ? PHE A 39 ? PHE A 44 PHE A 47 AA1 3 ASP A 88 ? GLN A 92 ? ASP A 96 GLN A 100 AA1 4 ARG A 71 ? HIS A 75 ? ARG A 79 HIS A 83 AA1 5 ARG B 71 ? HIS B 75 ? ARG B 79 HIS B 83 AA1 6 ASP B 88 ? GLN B 92 ? ASP B 96 GLN B 100 AA1 7 PHE B 36 ? PHE B 39 ? PHE B 44 PHE B 47 AA1 8 ILE B 27 ? TRP B 29 ? ILE B 35 TRP B 37 AA2 1 ILE E 27 ? TRP E 29 ? ILE C 35 TRP C 37 AA2 2 PHE E 36 ? PHE E 39 ? PHE C 44 PHE C 47 AA2 3 ASP E 88 ? GLN E 92 ? ASP C 96 GLN C 100 AA2 4 ARG E 71 ? HIS E 75 ? ARG C 79 HIS C 83 AA2 5 ARG F 71 ? VAL F 74 ? ARG D 79 VAL D 82 AA2 6 THR F 89 ? GLN F 92 ? THR D 97 GLN D 100 AA2 7 PHE F 36 ? VAL F 38 ? PHE D 44 VAL D 46 AA2 8 ILE F 27 ? TRP F 29 ? ILE D 35 TRP D 37 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N CYS A 28 ? N CYS A 36 O HIS A 37 ? O HIS A 45 AA1 2 3 N PHE A 36 ? N PHE A 44 O PHE A 91 ? O PHE A 99 AA1 3 4 O GLN A 92 ? O GLN A 100 N ARG A 71 ? N ARG A 79 AA1 4 5 N LYS A 72 ? N LYS A 80 O VAL B 74 ? O VAL B 82 AA1 5 6 N ARG B 71 ? N ARG B 79 O GLN B 92 ? O GLN B 100 AA1 6 7 O PHE B 91 ? O PHE B 99 N PHE B 36 ? N PHE B 44 AA1 7 8 O HIS B 37 ? O HIS B 45 N CYS B 28 ? N CYS B 36 AA2 1 2 N CYS E 28 ? N CYS C 36 O HIS E 37 ? O HIS C 45 AA2 2 3 N PHE E 36 ? N PHE C 44 O PHE E 91 ? O PHE C 99 AA2 3 4 O GLU E 90 ? O GLU C 98 N VAL E 73 ? N VAL C 81 AA2 4 5 N VAL E 74 ? N VAL C 82 O LYS F 72 ? O LYS D 80 AA2 5 6 N ARG F 71 ? N ARG D 79 O GLN F 92 ? O GLN D 100 AA2 6 7 O PHE F 91 ? O PHE D 99 N PHE F 36 ? N PHE D 44 AA2 7 8 O HIS F 37 ? O HIS D 45 N CYS F 28 ? N CYS D 36 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A CIT 201 ? 12 'binding site for residue CIT A 201' AC2 Software A NA 202 ? 6 'binding site for residue NA A 202' AC3 Software B NA 201 ? 6 'binding site for residue NA B 201' AC4 Software D NA 201 ? 6 'binding site for residue NA D 201' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 12 SER A 30 ? SER A 38 . ? 1_555 ? 2 AC1 12 PRO A 31 ? PRO A 39 . ? 1_555 ? 3 AC1 12 SER A 32 ? SER A 40 . ? 1_555 ? 4 AC1 12 SER A 35 ? SER A 43 . ? 1_555 ? 5 AC1 12 VAL A 73 ? VAL A 81 . ? 1_555 ? 6 AC1 12 GLU A 90 ? GLU A 98 . ? 1_555 ? 7 AC1 12 HOH M . ? HOH A 326 . ? 1_555 ? 8 AC1 12 HOH M . ? HOH A 340 . ? 1_555 ? 9 AC1 12 ARG B 71 ? ARG B 79 . ? 1_555 ? 10 AC1 12 GLN B 92 ? GLN B 100 . ? 1_555 ? 11 AC1 12 PRO B 94 ? PRO B 102 . ? 1_555 ? 12 AC1 12 HOH N . ? HOH B 358 . ? 1_555 ? 13 AC2 6 LEU A 17 ? LEU A 25 . ? 1_555 ? 14 AC2 6 VAL A 18 ? VAL A 26 . ? 1_555 ? 15 AC2 6 ASP A 20 ? ASP A 28 . ? 1_555 ? 16 AC2 6 THR A 23 ? THR A 31 . ? 1_555 ? 17 AC2 6 ASP A 24 ? ASP A 32 . ? 1_555 ? 18 AC2 6 ILE A 27 ? ILE A 35 . ? 1_555 ? 19 AC3 6 LEU B 17 ? LEU B 25 . ? 1_555 ? 20 AC3 6 VAL B 18 ? VAL B 26 . ? 1_555 ? 21 AC3 6 ASP B 20 ? ASP B 28 . ? 1_555 ? 22 AC3 6 THR B 23 ? THR B 31 . ? 1_555 ? 23 AC3 6 ASP B 24 ? ASP B 32 . ? 1_555 ? 24 AC3 6 ILE B 27 ? ILE B 35 . ? 1_555 ? 25 AC4 6 LEU F 17 ? LEU D 25 . ? 1_555 ? 26 AC4 6 VAL F 18 ? VAL D 26 . ? 1_555 ? 27 AC4 6 ASP F 20 ? ASP D 28 . ? 1_555 ? 28 AC4 6 THR F 23 ? THR D 31 . ? 1_555 ? 29 AC4 6 ASP F 24 ? ASP D 32 . ? 1_555 ? 30 AC4 6 ILE F 27 ? ILE D 35 . ? 1_555 ? # _atom_sites.entry_id 5HDN _atom_sites.fract_transf_matrix[1][1] 0.025371 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004726 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.007851 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.018405 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C H N NA O P S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . HIS A 1 6 ? -2.056 21.650 12.221 1.00 29.70 ? 14 HIS A N 1 ATOM 2 C CA . HIS A 1 6 ? -0.652 21.685 11.809 1.00 29.86 ? 14 HIS A CA 1 ATOM 3 C C . HIS A 1 6 ? 0.188 20.605 12.512 1.00 23.94 ? 14 HIS A C 1 ATOM 4 O O . HIS A 1 6 ? 0.256 20.561 13.736 1.00 24.81 ? 14 HIS A O 1 ATOM 5 C CB . HIS A 1 6 ? -0.053 23.068 12.084 1.00 32.37 ? 14 HIS A CB 1 ATOM 6 C CG . HIS A 1 6 ? 1.440 23.117 11.981 1.00 34.68 ? 14 HIS A CG 1 ATOM 7 N ND1 . HIS A 1 6 ? 2.106 23.107 10.774 1.00 35.63 ? 14 HIS A ND1 1 ATOM 8 C CD2 . HIS A 1 6 ? 2.399 23.177 12.938 1.00 34.37 ? 14 HIS A CD2 1 ATOM 9 C CE1 . HIS A 1 6 ? 3.409 23.154 10.992 1.00 33.22 ? 14 HIS A CE1 1 ATOM 10 N NE2 . HIS A 1 6 ? 3.613 23.200 12.296 1.00 31.62 ? 14 HIS A NE2 1 ATOM 11 N N . VAL A 1 7 ? 0.827 19.747 11.726 1.00 21.87 ? 15 VAL A N 1 ATOM 12 C CA . VAL A 1 7 ? 1.711 18.709 12.267 1.00 19.98 ? 15 VAL A CA 1 ATOM 13 C C . VAL A 1 7 ? 3.040 19.344 12.656 1.00 18.59 ? 15 VAL A C 1 ATOM 14 O O . VAL A 1 7 ? 3.629 20.070 11.869 1.00 20.04 ? 15 VAL A O 1 ATOM 15 C CB . VAL A 1 7 ? 1.937 17.573 11.237 1.00 24.90 ? 15 VAL A CB 1 ATOM 16 C CG1 . VAL A 1 7 ? 2.910 16.523 11.765 1.00 21.50 ? 15 VAL A CG1 1 ATOM 17 C CG2 . VAL A 1 7 ? 0.600 16.943 10.854 1.00 26.09 ? 15 VAL A CG2 1 ATOM 18 N N . PRO A 1 8 ? 3.515 19.084 13.882 1.00 19.51 ? 16 PRO A N 1 ATOM 19 C CA . PRO A 1 8 ? 4.800 19.686 14.261 1.00 17.30 ? 16 PRO A CA 1 ATOM 20 C C . PRO A 1 8 ? 5.910 19.276 13.318 1.00 18.47 ? 16 PRO A C 1 ATOM 21 O O . PRO A 1 8 ? 5.958 18.126 12.852 1.00 18.15 ? 16 PRO A O 1 ATOM 22 C CB . PRO A 1 8 ? 5.066 19.131 15.659 1.00 23.12 ? 16 PRO A CB 1 ATOM 23 C CG . PRO A 1 8 ? 3.729 18.645 16.154 1.00 26.52 ? 16 PRO A CG 1 ATOM 24 C CD . PRO A 1 8 ? 2.921 18.275 14.957 1.00 22.35 ? 16 PRO A CD 1 ATOM 25 N N . ALA A 1 9 ? 6.809 20.209 13.045 1.00 17.64 ? 17 ALA A N 1 ATOM 26 C CA . ALA A 1 9 ? 7.936 19.959 12.169 1.00 20.16 ? 17 ALA A CA 1 ATOM 27 C C . ALA A 1 9 ? 8.775 18.766 12.617 1.00 16.98 ? 17 ALA A C 1 ATOM 28 O O . ALA A 1 9 ? 9.317 18.044 11.786 1.00 18.23 ? 17 ALA A O 1 ATOM 29 C CB . ALA A 1 9 ? 8.809 21.212 12.076 1.00 22.19 ? 17 ALA A CB 1 ATOM 30 N N . PHE A 1 10 ? 8.881 18.557 13.922 1.00 16.05 ? 18 PHE A N 1 ATOM 31 C CA . PHE A 1 10 ? 9.650 17.435 14.430 1.00 16.39 ? 18 PHE A CA 1 ATOM 32 C C . PHE A 1 10 ? 9.162 16.143 13.777 1.00 16.92 ? 18 PHE A C 1 ATOM 33 O O . PHE A 1 10 ? 9.962 15.319 13.326 1.00 15.83 ? 18 PHE A O 1 ATOM 34 C CB . PHE A 1 10 ? 9.542 17.333 15.947 1.00 16.01 ? 18 PHE A CB 1 ATOM 35 C CG . PHE A 1 10 ? 10.245 16.129 16.515 1.00 18.57 ? 18 PHE A CG 1 ATOM 36 C CD1 . PHE A 1 10 ? 11.606 16.164 16.776 1.00 19.89 ? 18 PHE A CD1 1 ATOM 37 C CD2 . PHE A 1 10 ? 9.546 14.960 16.771 1.00 15.80 ? 18 PHE A CD2 1 ATOM 38 C CE1 . PHE A 1 10 ? 12.253 15.036 17.285 1.00 20.05 ? 18 PHE A CE1 1 ATOM 39 C CE2 . PHE A 1 10 ? 10.189 13.831 17.286 1.00 20.74 ? 18 PHE A CE2 1 ATOM 40 C CZ . PHE A 1 10 ? 11.542 13.880 17.537 1.00 19.27 ? 18 PHE A CZ 1 ATOM 41 N N . LEU A 1 11 ? 7.844 15.999 13.687 1.00 16.01 ? 19 LEU A N 1 ATOM 42 C CA . LEU A 1 11 ? 7.268 14.732 13.252 1.00 14.84 ? 19 LEU A CA 1 ATOM 43 C C . LEU A 1 11 ? 7.377 14.563 11.736 1.00 14.00 ? 19 LEU A C 1 ATOM 44 O O . LEU A 1 11 ? 7.706 13.473 11.235 1.00 14.93 ? 19 LEU A O 1 ATOM 45 C CB . LEU A 1 11 ? 5.814 14.636 13.720 1.00 13.63 ? 19 LEU A CB 1 ATOM 46 C CG . LEU A 1 11 ? 5.648 14.501 15.236 1.00 13.74 ? 19 LEU A CG 1 ATOM 47 C CD1 . LEU A 1 11 ? 4.185 14.542 15.605 1.00 15.18 ? 19 LEU A CD1 1 ATOM 48 C CD2 . LEU A 1 11 ? 6.274 13.198 15.754 1.00 14.58 ? 19 LEU A CD2 1 ATOM 49 N N . THR A 1 12 ? 7.137 15.641 11.005 1.00 15.34 ? 20 THR A N 1 ATOM 50 C CA . THR A 1 12 ? 7.219 15.589 9.556 1.00 16.85 ? 20 THR A CA 1 ATOM 51 C C . THR A 1 12 ? 8.665 15.348 9.123 1.00 17.45 ? 20 THR A C 1 ATOM 52 O O . THR A 1 12 ? 8.927 14.517 8.256 1.00 18.39 ? 20 THR A O 1 ATOM 53 C CB . THR A 1 12 ? 6.672 16.874 8.918 1.00 22.57 ? 20 THR A CB 1 ATOM 54 O OG1 . THR A 1 12 ? 5.262 16.946 9.168 1.00 26.27 ? 20 THR A OG1 1 ATOM 55 C CG2 . THR A 1 12 ? 6.910 16.864 7.419 1.00 28.47 ? 20 THR A CG2 1 ATOM 56 N N . LYS A 1 13 ? 9.602 16.042 9.750 1.00 16.59 ? 21 LYS A N 1 ATOM 57 C CA . LYS A 1 13 ? 11.010 15.825 9.425 1.00 16.31 ? 21 LYS A CA 1 ATOM 58 C C . LYS A 1 13 ? 11.441 14.396 9.744 1.00 18.14 ? 21 LYS A C 1 ATOM 59 O O . LYS A 1 13 ? 12.163 13.767 8.969 1.00 19.53 ? 21 LYS A O 1 ATOM 60 C CB . LYS A 1 13 ? 11.902 16.825 10.169 1.00 18.61 ? 21 LYS A CB 1 ATOM 61 C CG . LYS A 1 13 ? 11.712 18.249 9.676 1.00 20.60 ? 21 LYS A CG 1 ATOM 62 C CD . LYS A 1 13 ? 12.739 19.193 10.275 1.00 24.51 ? 21 LYS A CD 1 ATOM 63 C CE . LYS A 1 13 ? 12.681 19.226 11.791 1.00 28.16 ? 21 LYS A CE 1 ATOM 64 N NZ . LYS A 1 13 ? 13.684 20.209 12.325 1.00 31.21 ? 21 LYS A NZ 1 ATOM 65 N N . LEU A 1 14 ? 10.987 13.878 10.876 1.00 17.55 ? 22 LEU A N 1 ATOM 66 C CA . LEU A 1 14 ? 11.362 12.518 11.282 1.00 15.59 ? 22 LEU A CA 1 ATOM 67 C C . LEU A 1 14 ? 10.838 11.485 10.291 1.00 16.09 ? 22 LEU A C 1 ATOM 68 O O . LEU A 1 14 ? 11.557 10.565 9.890 1.00 15.53 ? 22 LEU A O 1 ATOM 69 C CB . LEU A 1 14 ? 10.839 12.230 12.687 1.00 16.31 ? 22 LEU A CB 1 ATOM 70 C CG . LEU A 1 14 ? 11.166 10.846 13.258 1.00 17.62 ? 22 LEU A CG 1 ATOM 71 C CD1 . LEU A 1 14 ? 12.670 10.637 13.470 1.00 19.55 ? 22 LEU A CD1 1 ATOM 72 C CD2 . LEU A 1 14 ? 10.374 10.619 14.546 1.00 17.76 ? 22 LEU A CD2 1 ATOM 73 N N . TRP A 1 15 ? 9.581 11.640 9.894 1.00 14.03 ? 23 TRP A N 1 ATOM 74 C CA . TRP A 1 15 ? 8.972 10.707 8.955 1.00 14.59 ? 23 TRP A CA 1 ATOM 75 C C . TRP A 1 15 ? 9.708 10.718 7.622 1.00 15.94 ? 23 TRP A C 1 ATOM 76 O O . TRP A 1 15 ? 9.995 9.664 7.048 1.00 15.14 ? 23 TRP A O 1 ATOM 77 C CB . TRP A 1 15 ? 7.493 11.043 8.757 1.00 16.48 ? 23 TRP A CB 1 ATOM 78 C CG . TRP A 1 15 ? 6.721 9.967 8.032 1.00 17.20 ? 23 TRP A CG 1 ATOM 79 C CD1 . TRP A 1 15 ? 6.003 8.946 8.590 1.00 15.07 ? 23 TRP A CD1 1 ATOM 80 C CD2 . TRP A 1 15 ? 6.577 9.832 6.616 1.00 17.47 ? 23 TRP A CD2 1 ATOM 81 N NE1 . TRP A 1 15 ? 5.422 8.177 7.599 1.00 15.74 ? 23 TRP A NE1 1 ATOM 82 C CE2 . TRP A 1 15 ? 5.771 8.698 6.380 1.00 17.24 ? 23 TRP A CE2 1 ATOM 83 C CE3 . TRP A 1 15 ? 7.051 10.563 5.524 1.00 18.47 ? 23 TRP A CE3 1 ATOM 84 C CZ2 . TRP A 1 15 ? 5.432 8.280 5.095 1.00 19.75 ? 23 TRP A CZ2 1 ATOM 85 C CZ3 . TRP A 1 15 ? 6.720 10.148 4.250 1.00 18.57 ? 23 TRP A CZ3 1 ATOM 86 C CH2 . TRP A 1 15 ? 5.919 9.014 4.046 1.00 21.35 ? 23 TRP A CH2 1 ATOM 87 N N . THR A 1 16 ? 10.040 11.908 7.137 1.00 14.77 ? 24 THR A N 1 ATOM 88 C CA . THR A 1 16 ? 10.742 12.016 5.874 1.00 18.41 ? 24 THR A CA 1 ATOM 89 C C . THR A 1 16 ? 12.148 11.428 5.994 1.00 17.82 ? 24 THR A C 1 ATOM 90 O O . THR A 1 16 ? 12.615 10.731 5.098 1.00 17.88 ? 24 THR A O 1 ATOM 91 C CB . THR A 1 16 ? 10.801 13.478 5.404 1.00 22.06 ? 24 THR A CB 1 ATOM 92 O OG1 . THR A 1 16 ? 9.454 13.950 5.217 1.00 23.17 ? 24 THR A OG1 1 ATOM 93 C CG2 . THR A 1 16 ? 11.532 13.570 4.105 1.00 28.48 ? 24 THR A CG2 1 ATOM 94 N N . LEU A 1 17 ? 12.794 11.690 7.124 1.00 15.52 ? 25 LEU A N 1 ATOM 95 C CA . LEU A 1 17 ? 14.137 11.182 7.391 1.00 18.58 ? 25 LEU A CA 1 ATOM 96 C C . LEU A 1 17 ? 14.181 9.653 7.437 1.00 18.06 ? 25 LEU A C 1 ATOM 97 O O . LEU A 1 17 ? 15.052 9.032 6.807 1.00 18.15 ? 25 LEU A O 1 ATOM 98 C CB . LEU A 1 17 ? 14.659 11.759 8.707 1.00 19.21 ? 25 LEU A CB 1 ATOM 99 C CG . LEU A 1 17 ? 15.973 11.200 9.257 1.00 19.51 ? 25 LEU A CG 1 ATOM 100 C CD1 . LEU A 1 17 ? 17.130 11.469 8.300 1.00 22.61 ? 25 LEU A CD1 1 ATOM 101 C CD2 . LEU A 1 17 ? 16.254 11.775 10.640 1.00 18.32 ? 25 LEU A CD2 1 ATOM 102 N N . VAL A 1 18 ? 13.261 9.053 8.200 1.00 16.09 ? 26 VAL A N 1 ATOM 103 C CA . VAL A 1 18 ? 13.163 7.594 8.271 1.00 16.26 ? 26 VAL A CA 1 ATOM 104 C C . VAL A 1 18 ? 12.980 7.026 6.873 1.00 16.96 ? 26 VAL A C 1 ATOM 105 O O . VAL A 1 18 ? 13.665 6.074 6.474 1.00 18.67 ? 26 VAL A O 1 ATOM 106 C CB . VAL A 1 18 ? 11.991 7.144 9.172 1.00 14.68 ? 26 VAL A CB 1 ATOM 107 C CG1 . VAL A 1 18 ? 11.817 5.626 9.100 1.00 17.01 ? 26 VAL A CG1 1 ATOM 108 C CG2 . VAL A 1 18 ? 12.224 7.593 10.618 1.00 13.32 ? 26 VAL A CG2 1 ATOM 109 N N . SER A 1 19 ? 12.072 7.643 6.122 1.00 16.65 ? 27 SER A N 1 ATOM 110 C CA . SER A 1 19 ? 11.671 7.136 4.821 1.00 17.99 ? 27 SER A CA 1 ATOM 111 C C . SER A 1 19 ? 12.769 7.263 3.770 1.00 21.62 ? 27 SER A C 1 ATOM 112 O O . SER A 1 19 ? 12.804 6.490 2.819 1.00 24.73 ? 27 SER A O 1 ATOM 113 C CB . SER A 1 19 ? 10.409 7.859 4.345 1.00 17.56 ? 27 SER A CB 1 ATOM 114 O OG . SER A 1 19 ? 9.314 7.583 5.217 1.00 19.15 ? 27 SER A OG 1 ATOM 115 N N . ASP A 1 20 ? 13.656 8.233 3.938 1.00 19.82 ? 28 ASP A N 1 ATOM 116 C CA . ASP A 1 20 ? 14.711 8.484 2.954 1.00 21.33 ? 28 ASP A CA 1 ATOM 117 C C . ASP A 1 20 ? 15.698 7.315 2.890 1.00 23.99 ? 28 ASP A C 1 ATOM 118 O O . ASP A 1 20 ? 16.370 7.032 3.865 1.00 24.53 ? 28 ASP A O 1 ATOM 119 C CB . ASP A 1 20 ? 15.441 9.779 3.304 1.00 22.11 ? 28 ASP A CB 1 ATOM 120 C CG . ASP A 1 20 ? 16.493 10.171 2.275 1.00 28.83 ? 28 ASP A CG 1 ATOM 121 O OD1 . ASP A 1 20 ? 16.718 9.417 1.307 1.00 30.77 ? 28 ASP A OD1 1 ATOM 122 O OD2 . ASP A 1 20 ? 17.105 11.244 2.450 1.00 28.62 ? 28 ASP A OD2 1 ATOM 123 N N . PRO A 1 21 ? 15.782 6.631 1.735 1.00 22.55 ? 29 PRO A N 1 ATOM 124 C CA . PRO A 1 21 ? 16.680 5.467 1.662 1.00 26.56 ? 29 PRO A CA 1 ATOM 125 C C . PRO A 1 21 ? 18.148 5.830 1.884 1.00 28.15 ? 29 PRO A C 1 ATOM 126 O O . PRO A 1 21 ? 18.924 4.977 2.304 1.00 29.22 ? 29 PRO A O 1 ATOM 127 C CB . PRO A 1 21 ? 16.458 4.938 0.237 1.00 29.05 ? 29 PRO A CB 1 ATOM 128 C CG . PRO A 1 21 ? 15.918 6.100 -0.528 1.00 29.51 ? 29 PRO A CG 1 ATOM 129 C CD . PRO A 1 21 ? 15.084 6.871 0.460 1.00 22.56 ? 29 PRO A CD 1 ATOM 130 N N . ASP A 1 22 ? 18.514 7.082 1.625 1.00 28.11 ? 30 ASP A N 1 ATOM 131 C CA . ASP A 1 22 ? 19.907 7.503 1.720 1.00 26.61 ? 30 ASP A CA 1 ATOM 132 C C . ASP A 1 22 ? 20.427 7.549 3.158 1.00 23.15 ? 30 ASP A C 1 ATOM 133 O O . ASP A 1 22 ? 21.646 7.550 3.376 1.00 25.16 ? 30 ASP A O 1 ATOM 134 C CB . ASP A 1 22 ? 20.088 8.868 1.052 1.00 31.51 ? 30 ASP A CB 1 ATOM 135 C CG . ASP A 1 22 ? 19.874 8.809 -0.452 1.00 37.41 ? 30 ASP A CG 1 ATOM 136 O OD1 . ASP A 1 22 ? 20.111 7.735 -1.043 1.00 40.28 ? 30 ASP A OD1 1 ATOM 137 O OD2 . ASP A 1 22 ? 19.471 9.830 -1.042 1.00 41.16 ? 30 ASP A OD2 1 ATOM 138 N N . THR A 1 23 ? 19.513 7.571 4.131 1.00 19.84 ? 31 THR A N 1 ATOM 139 C CA . THR A 1 23 ? 19.909 7.611 5.538 1.00 19.19 ? 31 THR A CA 1 ATOM 140 C C . THR A 1 23 ? 19.733 6.275 6.256 1.00 15.86 ? 31 THR A C 1 ATOM 141 O O . THR A 1 23 ? 19.939 6.190 7.462 1.00 18.23 ? 31 THR A O 1 ATOM 142 C CB . THR A 1 23 ? 19.109 8.669 6.323 1.00 21.33 ? 31 THR A CB 1 ATOM 143 O OG1 . THR A 1 23 ? 17.704 8.391 6.216 1.00 20.61 ? 31 THR A OG1 1 ATOM 144 C CG2 . THR A 1 23 ? 19.388 10.055 5.792 1.00 22.17 ? 31 THR A CG2 1 ATOM 145 N N . ASP A 1 24 ? 19.367 5.243 5.510 1.00 19.80 ? 32 ASP A N 1 ATOM 146 C CA . ASP A 1 24 ? 18.927 3.979 6.103 1.00 20.65 ? 32 ASP A CA 1 ATOM 147 C C . ASP A 1 24 ? 19.996 3.259 6.929 1.00 20.83 ? 32 ASP A C 1 ATOM 148 O O . ASP A 1 24 ? 19.654 2.456 7.784 1.00 19.65 ? 32 ASP A O 1 ATOM 149 C CB . ASP A 1 24 ? 18.402 3.039 5.011 1.00 21.33 ? 32 ASP A CB 1 ATOM 150 C CG . ASP A 1 24 ? 16.954 3.312 4.642 1.00 24.53 ? 32 ASP A CG 1 ATOM 151 O OD1 . ASP A 1 24 ? 16.305 4.151 5.303 1.00 22.98 ? 32 ASP A OD1 1 ATOM 152 O OD2 . ASP A 1 24 ? 16.459 2.669 3.689 1.00 27.90 ? 32 ASP A OD2 1 ATOM 153 N N . ALA A 1 25 ? 21.280 3.544 6.696 1.00 17.24 ? 33 ALA A N 1 ATOM 154 C CA . ALA A 1 25 ? 22.330 2.944 7.524 1.00 18.43 ? 33 ALA A CA 1 ATOM 155 C C . ALA A 1 25 ? 22.218 3.413 8.975 1.00 16.91 ? 33 ALA A C 1 ATOM 156 O O . ALA A 1 25 ? 22.674 2.724 9.890 1.00 20.70 ? 33 ALA A O 1 ATOM 157 C CB . ALA A 1 25 ? 23.711 3.272 6.973 1.00 21.29 ? 33 ALA A CB 1 ATOM 158 N N . LEU A 1 26 ? 21.617 4.584 9.182 1.00 16.08 ? 34 LEU A N 1 ATOM 159 C CA . LEU A 1 26 ? 21.499 5.132 10.527 1.00 19.58 ? 34 LEU A CA 1 ATOM 160 C C . LEU A 1 26 ? 20.063 5.212 11.038 1.00 16.73 ? 34 LEU A C 1 ATOM 161 O O . LEU A 1 26 ? 19.841 5.196 12.255 1.00 14.31 ? 34 LEU A O 1 ATOM 162 C CB . LEU A 1 26 ? 22.137 6.526 10.580 1.00 18.06 ? 34 LEU A CB 1 ATOM 163 C CG . LEU A 1 26 ? 23.660 6.534 10.419 1.00 19.16 ? 34 LEU A CG 1 ATOM 164 C CD1 . LEU A 1 26 ? 24.187 7.968 10.471 1.00 23.12 ? 34 LEU A CD1 1 ATOM 165 C CD2 . LEU A 1 26 ? 24.317 5.699 11.493 1.00 19.63 ? 34 LEU A CD2 1 ATOM 166 N N . ILE A 1 27 ? 19.103 5.342 10.123 1.00 14.12 ? 35 ILE A N 1 ATOM 167 C CA . ILE A 1 27 ? 17.698 5.435 10.529 1.00 13.65 ? 35 ILE A CA 1 ATOM 168 C C . ILE A 1 27 ? 16.765 4.979 9.393 1.00 14.88 ? 35 ILE A C 1 ATOM 169 O O . ILE A 1 27 ? 16.818 5.485 8.267 1.00 17.10 ? 35 ILE A O 1 ATOM 170 C CB . ILE A 1 27 ? 17.358 6.877 11.017 1.00 14.95 ? 35 ILE A CB 1 ATOM 171 C CG1 . ILE A 1 27 ? 15.910 6.927 11.544 1.00 15.62 ? 35 ILE A CG1 1 ATOM 172 C CG2 . ILE A 1 27 ? 17.586 7.919 9.921 1.00 18.33 ? 35 ILE A CG2 1 ATOM 173 C CD1 . ILE A 1 27 ? 15.573 8.258 12.230 1.00 18.03 ? 35 ILE A CD1 1 ATOM 174 N N . CYS A 1 28 ? 15.929 3.987 9.690 1.00 15.25 ? 36 CYS A N 1 ATOM 175 C CA . CYS A 1 28 ? 15.131 3.331 8.664 1.00 17.15 ? 36 CYS A CA 1 ATOM 176 C C . CYS A 1 28 ? 13.871 2.699 9.247 1.00 18.55 ? 36 CYS A C 1 ATOM 177 O O . CYS A 1 28 ? 13.783 2.481 10.444 1.00 16.80 ? 36 CYS A O 1 ATOM 178 C CB . CYS A 1 28 ? 15.952 2.253 7.964 1.00 19.83 ? 36 CYS A CB 1 ATOM 179 S SG . CYS A 1 28 ? 16.424 0.883 9.043 1.00 21.87 ? 36 CYS A SG 1 ATOM 180 N N . TRP A 1 29 ? 12.906 2.392 8.390 1.00 17.16 ? 37 TRP A N 1 ATOM 181 C CA . TRP A 1 29 ? 11.742 1.619 8.819 1.00 17.51 ? 37 TRP A CA 1 ATOM 182 C C . TRP A 1 29 ? 12.101 0.167 9.143 1.00 18.94 ? 37 TRP A C 1 ATOM 183 O O . TRP A 1 29 ? 13.016 -0.402 8.553 1.00 20.23 ? 37 TRP A O 1 ATOM 184 C CB . TRP A 1 29 ? 10.659 1.621 7.736 1.00 18.81 ? 37 TRP A CB 1 ATOM 185 C CG . TRP A 1 29 ? 10.059 2.967 7.481 1.00 16.78 ? 37 TRP A CG 1 ATOM 186 C CD1 . TRP A 1 29 ? 10.266 3.762 6.399 1.00 17.44 ? 37 TRP A CD1 1 ATOM 187 C CD2 . TRP A 1 29 ? 9.145 3.670 8.335 1.00 14.99 ? 37 TRP A CD2 1 ATOM 188 N NE1 . TRP A 1 29 ? 9.537 4.925 6.522 1.00 17.02 ? 37 TRP A NE1 1 ATOM 189 C CE2 . TRP A 1 29 ? 8.843 4.890 7.704 1.00 14.23 ? 37 TRP A CE2 1 ATOM 190 C CE3 . TRP A 1 29 ? 8.546 3.377 9.570 1.00 15.51 ? 37 TRP A CE3 1 ATOM 191 C CZ2 . TRP A 1 29 ? 7.968 5.836 8.273 1.00 14.91 ? 37 TRP A CZ2 1 ATOM 192 C CZ3 . TRP A 1 29 ? 7.672 4.324 10.140 1.00 12.83 ? 37 TRP A CZ3 1 ATOM 193 C CH2 . TRP A 1 29 ? 7.395 5.531 9.479 1.00 13.25 ? 37 TRP A CH2 1 ATOM 194 N N . SER A 1 30 ? 11.361 -0.430 10.070 1.00 15.18 ? 38 SER A N 1 ATOM 195 C CA . SER A 1 30 ? 11.408 -1.878 10.265 1.00 15.61 ? 38 SER A CA 1 ATOM 196 C C . SER A 1 30 ? 10.802 -2.552 9.038 1.00 18.24 ? 38 SER A C 1 ATOM 197 O O . SER A 1 30 ? 10.151 -1.900 8.233 1.00 18.79 ? 38 SER A O 1 ATOM 198 C CB . SER A 1 30 ? 10.649 -2.286 11.528 1.00 20.48 ? 38 SER A CB 1 ATOM 199 O OG . SER A 1 30 ? 9.277 -1.957 11.405 1.00 21.43 ? 38 SER A OG 1 ATOM 200 N N . PRO A 1 31 ? 11.038 -3.860 8.877 1.00 19.55 ? 39 PRO A N 1 ATOM 201 C CA . PRO A 1 31 ? 10.496 -4.557 7.709 1.00 20.69 ? 39 PRO A CA 1 ATOM 202 C C . PRO A 1 31 ? 8.978 -4.399 7.597 1.00 22.58 ? 39 PRO A C 1 ATOM 203 O O . PRO A 1 31 ? 8.467 -4.178 6.497 1.00 24.39 ? 39 PRO A O 1 ATOM 204 C CB . PRO A 1 31 ? 10.897 -6.018 7.959 1.00 25.74 ? 39 PRO A CB 1 ATOM 205 C CG . PRO A 1 31 ? 12.156 -5.901 8.786 1.00 24.46 ? 39 PRO A CG 1 ATOM 206 C CD . PRO A 1 31 ? 11.889 -4.735 9.703 1.00 21.60 ? 39 PRO A CD 1 ATOM 207 N N . SER A 1 32 ? 8.284 -4.465 8.731 1.00 19.42 ? 40 SER A N 1 ATOM 208 C CA . SER A 1 32 ? 6.826 -4.361 8.769 1.00 23.85 ? 40 SER A CA 1 ATOM 209 C C . SER A 1 32 ? 6.323 -2.945 8.509 1.00 22.49 ? 40 SER A C 1 ATOM 210 O O . SER A 1 32 ? 5.144 -2.749 8.220 1.00 20.25 ? 40 SER A O 1 ATOM 211 C CB . SER A 1 32 ? 6.299 -4.804 10.126 1.00 26.44 ? 40 SER A CB 1 ATOM 212 O OG . SER A 1 32 ? 6.626 -3.819 11.099 1.00 25.84 ? 40 SER A OG 1 ATOM 213 N N . GLY A 1 33 ? 7.201 -1.959 8.654 1.00 18.34 ? 41 GLY A N 1 ATOM 214 C CA . GLY A 1 33 ? 6.795 -0.567 8.522 1.00 19.10 ? 41 GLY A CA 1 ATOM 215 C C . GLY A 1 33 ? 6.129 0.029 9.752 1.00 17.65 ? 41 GLY A C 1 ATOM 216 O O . GLY A 1 33 ? 5.692 1.189 9.728 1.00 18.25 ? 41 GLY A O 1 ATOM 217 N N . ASN A 1 34 ? 6.067 -0.752 10.832 1.00 16.61 ? 42 ASN A N 1 ATOM 218 C CA . ASN A 1 34 ? 5.381 -0.323 12.048 1.00 19.53 ? 42 ASN A CA 1 ATOM 219 C C . ASN A 1 34 ? 6.253 0.429 13.042 1.00 19.36 ? 42 ASN A C 1 ATOM 220 O O . ASN A 1 34 ? 5.731 0.998 13.996 1.00 16.59 ? 42 ASN A O 1 ATOM 221 C CB . ASN A 1 34 ? 4.781 -1.519 12.792 1.00 20.16 ? 42 ASN A CB 1 ATOM 222 C CG . ASN A 1 34 ? 3.672 -2.193 12.032 1.00 29.25 ? 42 ASN A CG 1 ATOM 223 O OD1 . ASN A 1 34 ? 3.193 -1.687 11.012 1.00 33.62 ? 42 ASN A OD1 1 ATOM 224 N ND2 . ASN A 1 34 ? 3.229 -3.342 12.545 1.00 28.95 ? 42 ASN A ND2 1 ATOM 225 N N . SER A 1 35 ? 7.570 0.400 12.829 1.00 18.21 ? 43 SER A N 1 ATOM 226 C CA . SER A 1 35 ? 8.552 0.926 13.774 1.00 16.53 ? 43 SER A CA 1 ATOM 227 C C . SER A 1 35 ? 9.722 1.487 12.975 1.00 16.18 ? 43 SER A C 1 ATOM 228 O O . SER A 1 35 ? 9.833 1.218 11.773 1.00 16.84 ? 43 SER A O 1 ATOM 229 C CB . SER A 1 35 ? 9.072 -0.179 14.715 1.00 16.94 ? 43 SER A CB 1 ATOM 230 O OG . SER A 1 35 ? 8.029 -0.995 15.183 1.00 22.24 ? 43 SER A OG 1 ATOM 231 N N . PHE A 1 36 ? 10.589 2.257 13.619 1.00 15.88 ? 44 PHE A N 1 ATOM 232 C CA . PHE A 1 36 ? 11.848 2.609 12.961 1.00 13.98 ? 44 PHE A CA 1 ATOM 233 C C . PHE A 1 36 ? 13.019 2.313 13.869 1.00 15.19 ? 44 PHE A C 1 ATOM 234 O O . PHE A 1 36 ? 12.889 2.239 15.088 1.00 14.26 ? 44 PHE A O 1 ATOM 235 C CB . PHE A 1 36 ? 11.866 4.082 12.506 1.00 15.60 ? 44 PHE A CB 1 ATOM 236 C CG . PHE A 1 36 ? 11.907 5.093 13.626 1.00 15.96 ? 44 PHE A CG 1 ATOM 237 C CD1 . PHE A 1 36 ? 10.734 5.514 14.245 1.00 18.48 ? 44 PHE A CD1 1 ATOM 238 C CD2 . PHE A 1 36 ? 13.109 5.675 14.014 1.00 16.40 ? 44 PHE A CD2 1 ATOM 239 C CE1 . PHE A 1 36 ? 10.774 6.474 15.252 1.00 16.25 ? 44 PHE A CE1 1 ATOM 240 C CE2 . PHE A 1 36 ? 13.149 6.630 15.016 1.00 17.44 ? 44 PHE A CE2 1 ATOM 241 C CZ . PHE A 1 36 ? 11.955 7.023 15.642 1.00 16.87 ? 44 PHE A CZ 1 ATOM 242 N N . HIS A 1 37 ? 14.172 2.114 13.240 1.00 15.34 ? 45 HIS A N 1 ATOM 243 C CA . HIS A 1 37 ? 15.420 1.867 13.945 1.00 15.34 ? 45 HIS A CA 1 ATOM 244 C C . HIS A 1 37 ? 16.334 3.073 13.876 1.00 14.23 ? 45 HIS A C 1 ATOM 245 O O . HIS A 1 37 ? 16.377 3.750 12.853 1.00 17.26 ? 45 HIS A O 1 ATOM 246 C CB . HIS A 1 37 ? 16.149 0.672 13.335 1.00 14.90 ? 45 HIS A CB 1 ATOM 247 C CG . HIS A 1 37 ? 15.468 -0.635 13.573 1.00 19.66 ? 45 HIS A CG 1 ATOM 248 N ND1 . HIS A 1 37 ? 15.791 -1.449 14.634 1.00 22.53 ? 45 HIS A ND1 1 ATOM 249 C CD2 . HIS A 1 37 ? 14.484 -1.269 12.893 1.00 25.11 ? 45 HIS A CD2 1 ATOM 250 C CE1 . HIS A 1 37 ? 15.036 -2.534 14.600 1.00 23.96 ? 45 HIS A CE1 1 ATOM 251 N NE2 . HIS A 1 37 ? 14.235 -2.450 13.552 1.00 21.55 ? 45 HIS A NE2 1 ATOM 252 N N . VAL A 1 38 ? 17.046 3.332 14.971 1.00 13.92 ? 46 VAL A N 1 ATOM 253 C CA . VAL A 1 38 ? 18.216 4.214 14.978 1.00 15.55 ? 46 VAL A CA 1 ATOM 254 C C . VAL A 1 38 ? 19.450 3.366 15.274 1.00 15.96 ? 46 VAL A C 1 ATOM 255 O O . VAL A 1 38 ? 19.525 2.703 16.316 1.00 16.89 ? 46 VAL A O 1 ATOM 256 C CB . VAL A 1 38 ? 18.103 5.336 16.016 1.00 14.94 ? 46 VAL A CB 1 ATOM 257 C CG1 . VAL A 1 38 ? 19.395 6.134 16.053 1.00 15.62 ? 46 VAL A CG1 1 ATOM 258 C CG2 . VAL A 1 38 ? 16.910 6.247 15.694 1.00 17.04 ? 46 VAL A CG2 1 ATOM 259 N N . PHE A 1 39 ? 20.416 3.383 14.357 1.00 15.31 ? 47 PHE A N 1 ATOM 260 C CA . PHE A 1 39 ? 21.650 2.612 14.503 1.00 17.45 ? 47 PHE A CA 1 ATOM 261 C C . PHE A 1 39 ? 22.805 3.542 14.833 1.00 18.78 ? 47 PHE A C 1 ATOM 262 O O . PHE A 1 39 ? 22.821 4.662 14.345 1.00 18.80 ? 47 PHE A O 1 ATOM 263 C CB . PHE A 1 39 ? 21.976 1.852 13.221 1.00 18.94 ? 47 PHE A CB 1 ATOM 264 C CG . PHE A 1 39 ? 20.951 0.829 12.855 1.00 21.49 ? 47 PHE A CG 1 ATOM 265 C CD1 . PHE A 1 39 ? 20.844 -0.346 13.574 1.00 26.53 ? 47 PHE A CD1 1 ATOM 266 C CD2 . PHE A 1 39 ? 20.081 1.051 11.801 1.00 22.57 ? 47 PHE A CD2 1 ATOM 267 C CE1 . PHE A 1 39 ? 19.879 -1.295 13.239 1.00 28.94 ? 47 PHE A CE1 1 ATOM 268 C CE2 . PHE A 1 39 ? 19.125 0.118 11.463 1.00 22.21 ? 47 PHE A CE2 1 ATOM 269 C CZ . PHE A 1 39 ? 19.023 -1.057 12.181 1.00 26.03 ? 47 PHE A CZ 1 ATOM 270 N N . ASP A 1 40 ? 23.750 3.079 15.650 1.00 16.81 ? 48 ASP A N 1 ATOM 271 C CA . ASP A 1 40 ? 25.010 3.808 15.862 1.00 21.10 ? 48 ASP A CA 1 ATOM 272 C C . ASP A 1 40 ? 24.728 5.232 16.328 1.00 23.32 ? 48 ASP A C 1 ATOM 273 O O . ASP A 1 40 ? 25.007 6.195 15.611 1.00 21.79 ? 48 ASP A O 1 ATOM 274 C CB . ASP A 1 40 ? 25.827 3.829 14.572 1.00 20.64 ? 48 ASP A CB 1 ATOM 275 C CG . ASP A 1 40 ? 27.283 4.216 14.799 1.00 28.03 ? 48 ASP A CG 1 ATOM 276 O OD1 . ASP A 1 40 ? 27.620 4.744 15.884 1.00 29.33 ? 48 ASP A OD1 1 ATOM 277 O OD2 . ASP A 1 40 ? 28.090 4.000 13.873 1.00 33.54 ? 48 ASP A OD2 1 ATOM 278 N N . GLN A 1 41 ? 24.168 5.352 17.523 1.00 20.97 ? 49 GLN A N 1 ATOM 279 C CA . GLN A 1 41 ? 23.696 6.641 18.014 1.00 25.85 ? 49 GLN A CA 1 ATOM 280 C C . GLN A 1 41 ? 24.774 7.717 17.998 1.00 24.77 ? 49 GLN A C 1 ATOM 281 O O . GLN A 1 41 ? 24.472 8.883 17.769 1.00 27.04 ? 49 GLN A O 1 ATOM 282 C CB . GLN A 1 41 ? 23.127 6.492 19.423 1.00 30.54 ? 49 GLN A CB 1 ATOM 283 C CG . GLN A 1 41 ? 21.742 5.875 19.438 1.00 36.07 ? 49 GLN A CG 1 ATOM 284 C CD . GLN A 1 41 ? 21.091 5.928 20.807 1.00 40.94 ? 49 GLN A CD 1 ATOM 285 O OE1 . GLN A 1 41 ? 21.639 6.511 21.745 1.00 43.23 ? 49 GLN A OE1 1 ATOM 286 N NE2 . GLN A 1 41 ? 19.918 5.313 20.930 1.00 40.97 ? 49 GLN A NE2 1 ATOM 287 N N . GLY A 1 42 ? 26.027 7.333 18.231 1.00 25.60 ? 50 GLY A N 1 ATOM 288 C CA . GLY A 1 42 ? 27.108 8.296 18.225 1.00 26.88 ? 50 GLY A CA 1 ATOM 289 C C . GLY A 1 42 ? 27.250 8.963 16.871 1.00 27.50 ? 50 GLY A C 1 ATOM 290 O O . GLY A 1 42 ? 27.455 10.168 16.783 1.00 31.45 ? 50 GLY A O 1 ATOM 291 N N . GLN A 1 43 ? 27.146 8.166 15.816 1.00 25.23 ? 51 GLN A N 1 ATOM 292 C CA . GLN A 1 43 ? 27.191 8.679 14.453 1.00 28.52 ? 51 GLN A CA 1 ATOM 293 C C . GLN A 1 43 ? 25.892 9.389 14.074 1.00 24.18 ? 51 GLN A C 1 ATOM 294 O O . GLN A 1 43 ? 25.911 10.392 13.356 1.00 24.62 ? 51 GLN A O 1 ATOM 295 C CB . GLN A 1 43 ? 27.449 7.544 13.470 1.00 29.04 ? 51 GLN A CB 1 ATOM 296 C CG . GLN A 1 43 ? 27.893 8.012 12.121 1.00 35.44 ? 51 GLN A CG 1 ATOM 297 C CD . GLN A 1 43 ? 29.305 8.543 12.151 1.00 42.27 ? 51 GLN A CD 1 ATOM 298 O OE1 . GLN A 1 43 ? 29.527 9.740 12.016 1.00 44.29 ? 51 GLN A OE1 1 ATOM 299 N NE2 . GLN A 1 43 ? 30.271 7.651 12.331 1.00 48.01 ? 51 GLN A NE2 1 ATOM 300 N N . PHE A 1 44 ? 24.765 8.850 14.534 1.00 20.31 ? 52 PHE A N 1 ATOM 301 C CA . PHE A 1 44 ? 23.479 9.511 14.337 1.00 19.03 ? 52 PHE A CA 1 ATOM 302 C C . PHE A 1 44 ? 23.506 10.939 14.884 1.00 21.98 ? 52 PHE A C 1 ATOM 303 O O . PHE A 1 44 ? 23.114 11.886 14.207 1.00 21.66 ? 52 PHE A O 1 ATOM 304 C CB . PHE A 1 44 ? 22.356 8.706 15.005 1.00 16.92 ? 52 PHE A CB 1 ATOM 305 C CG . PHE A 1 44 ? 20.987 9.288 14.805 1.00 17.82 ? 52 PHE A CG 1 ATOM 306 C CD1 . PHE A 1 44 ? 20.302 9.080 13.620 1.00 17.19 ? 52 PHE A CD1 1 ATOM 307 C CD2 . PHE A 1 44 ? 20.381 10.023 15.808 1.00 20.11 ? 52 PHE A CD2 1 ATOM 308 C CE1 . PHE A 1 44 ? 19.024 9.605 13.434 1.00 20.42 ? 52 PHE A CE1 1 ATOM 309 C CE2 . PHE A 1 44 ? 19.109 10.559 15.630 1.00 19.33 ? 52 PHE A CE2 1 ATOM 310 C CZ . PHE A 1 44 ? 18.439 10.351 14.437 1.00 17.51 ? 52 PHE A CZ 1 ATOM 311 N N . ALA A 1 45 ? 24.000 11.086 16.108 1.00 23.21 ? 53 ALA A N 1 ATOM 312 C CA . ALA A 1 45 ? 24.128 12.404 16.718 1.00 24.45 ? 53 ALA A CA 1 ATOM 313 C C . ALA A 1 45 ? 25.064 13.328 15.931 1.00 24.85 ? 53 ALA A C 1 ATOM 314 O O . ALA A 1 45 ? 24.877 14.540 15.927 1.00 29.02 ? 53 ALA A O 1 ATOM 315 C CB . ALA A 1 45 ? 24.613 12.271 18.164 1.00 27.97 ? 53 ALA A CB 1 ATOM 316 N N . LYS A 1 46 ? 26.068 12.771 15.263 1.00 27.49 ? 54 LYS A N 1 ATOM 317 C CA . LYS A 1 46 ? 27.053 13.603 14.581 1.00 32.74 ? 54 LYS A CA 1 ATOM 318 C C . LYS A 1 46 ? 26.645 13.990 13.165 1.00 32.45 ? 54 LYS A C 1 ATOM 319 O O . LYS A 1 46 ? 26.860 15.126 12.745 1.00 36.24 ? 54 LYS A O 1 ATOM 320 C CB . LYS A 1 46 ? 28.409 12.899 14.546 1.00 38.62 ? 54 LYS A CB 1 ATOM 321 C CG . LYS A 1 46 ? 29.038 12.727 15.914 1.00 44.22 ? 54 LYS A CG 1 ATOM 322 C CD . LYS A 1 46 ? 30.336 11.940 15.820 1.00 51.30 ? 54 LYS A CD 1 ATOM 323 C CE . LYS A 1 46 ? 31.377 12.689 15.005 1.00 58.22 ? 54 LYS A CE 1 ATOM 324 N NZ . LYS A 1 46 ? 32.015 13.794 15.775 1.00 61.75 ? 54 LYS A NZ 1 ATOM 325 N N . GLU A 1 47 ? 26.059 13.050 12.437 1.00 28.24 ? 55 GLU A N 1 ATOM 326 C CA . GLU A 1 47 ? 25.722 13.262 11.038 1.00 34.48 ? 55 GLU A CA 1 ATOM 327 C C . GLU A 1 47 ? 24.289 13.713 10.820 1.00 34.09 ? 55 GLU A C 1 ATOM 328 O O . GLU A 1 47 ? 24.028 14.546 9.957 1.00 42.19 ? 55 GLU A O 1 ATOM 329 C CB . GLU A 1 47 ? 25.956 11.986 10.235 1.00 42.10 ? 55 GLU A CB 1 ATOM 330 C CG . GLU A 1 47 ? 27.370 11.471 10.288 1.00 51.44 ? 55 GLU A CG 1 ATOM 331 C CD . GLU A 1 47 ? 27.682 10.549 9.135 1.00 58.70 ? 55 GLU A CD 1 ATOM 332 O OE1 . GLU A 1 47 ? 28.074 9.394 9.392 1.00 59.90 ? 55 GLU A OE1 1 ATOM 333 O OE2 . GLU A 1 47 ? 27.537 10.981 7.971 1.00 62.11 ? 55 GLU A OE2 1 ATOM 334 N N . VAL A 1 48 ? 23.353 13.166 11.591 1.00 24.81 ? 56 VAL A N 1 ATOM 335 C CA . VAL A 1 48 ? 21.949 13.392 11.290 1.00 26.81 ? 56 VAL A CA 1 ATOM 336 C C . VAL A 1 48 ? 21.340 14.545 12.079 1.00 24.62 ? 56 VAL A C 1 ATOM 337 O O . VAL A 1 48 ? 20.694 15.421 11.504 1.00 24.67 ? 56 VAL A O 1 ATOM 338 C CB . VAL A 1 48 ? 21.120 12.118 11.539 1.00 25.41 ? 56 VAL A CB 1 ATOM 339 C CG1 . VAL A 1 48 ? 19.687 12.337 11.088 1.00 26.89 ? 56 VAL A CG1 1 ATOM 340 C CG2 . VAL A 1 48 ? 21.735 10.948 10.800 1.00 27.40 ? 56 VAL A CG2 1 ATOM 341 N N . LEU A 1 49 ? 21.548 14.552 13.391 1.00 22.84 ? 57 LEU A N 1 ATOM 342 C CA . LEU A 1 49 ? 20.936 15.571 14.245 1.00 24.15 ? 57 LEU A CA 1 ATOM 343 C C . LEU A 1 49 ? 21.271 17.004 13.826 1.00 26.60 ? 57 LEU A C 1 ATOM 344 O O . LEU A 1 49 ? 20.376 17.840 13.759 1.00 27.88 ? 57 LEU A O 1 ATOM 345 C CB . LEU A 1 49 ? 21.339 15.358 15.708 1.00 24.96 ? 57 LEU A CB 1 ATOM 346 C CG . LEU A 1 49 ? 20.715 14.169 16.437 1.00 25.55 ? 57 LEU A CG 1 ATOM 347 C CD1 . LEU A 1 49 ? 21.181 14.139 17.885 1.00 29.27 ? 57 LEU A CD1 1 ATOM 348 C CD2 . LEU A 1 49 ? 19.187 14.212 16.358 1.00 25.25 ? 57 LEU A CD2 1 ATOM 349 N N . PRO A 1 50 ? 22.554 17.298 13.545 1.00 26.94 ? 58 PRO A N 1 ATOM 350 C CA . PRO A 1 50 ? 22.914 18.666 13.150 1.00 29.75 ? 58 PRO A CA 1 ATOM 351 C C . PRO A 1 50 ? 22.196 19.157 11.892 1.00 31.47 ? 58 PRO A C 1 ATOM 352 O O . PRO A 1 50 ? 21.930 20.353 11.778 1.00 33.12 ? 58 PRO A O 1 ATOM 353 C CB . PRO A 1 50 ? 24.423 18.576 12.904 1.00 32.20 ? 58 PRO A CB 1 ATOM 354 C CG . PRO A 1 50 ? 24.873 17.434 13.738 1.00 31.58 ? 58 PRO A CG 1 ATOM 355 C CD . PRO A 1 50 ? 23.743 16.443 13.709 1.00 26.28 ? 58 PRO A CD 1 ATOM 356 N N . LYS A 1 51 ? 21.883 18.258 10.964 1.00 31.55 ? 59 LYS A N 1 ATOM 357 C CA . LYS A 1 51 ? 21.217 18.661 9.731 1.00 32.22 ? 59 LYS A CA 1 ATOM 358 C C . LYS A 1 51 ? 19.695 18.694 9.865 1.00 31.48 ? 59 LYS A C 1 ATOM 359 O O . LYS A 1 51 ? 19.046 19.612 9.368 1.00 35.39 ? 59 LYS A O 1 ATOM 360 C CB . LYS A 1 51 ? 21.608 17.733 8.578 1.00 36.02 ? 59 LYS A CB 1 ATOM 361 C CG . LYS A 1 51 ? 20.837 18.005 7.290 1.00 40.33 ? 59 LYS A CG 1 ATOM 362 C CD . LYS A 1 51 ? 21.253 17.070 6.166 1.00 41.94 ? 59 LYS A CD 1 ATOM 363 C CE . LYS A 1 51 ? 20.404 17.294 4.918 1.00 43.04 ? 59 LYS A CE 1 ATOM 364 N NZ . LYS A 1 51 ? 20.402 18.720 4.462 1.00 47.50 ? 59 LYS A NZ 1 ATOM 365 N N . TYR A 1 52 ? 19.126 17.699 10.537 1.00 27.54 ? 60 TYR A N 1 ATOM 366 C CA . TYR A 1 52 ? 17.678 17.531 10.544 1.00 24.38 ? 60 TYR A CA 1 ATOM 367 C C . TYR A 1 52 ? 16.996 18.044 11.807 1.00 23.35 ? 60 TYR A C 1 ATOM 368 O O . TYR A 1 52 ? 15.811 18.349 11.785 1.00 27.27 ? 60 TYR A O 1 ATOM 369 C CB . TYR A 1 52 ? 17.331 16.052 10.347 1.00 27.51 ? 60 TYR A CB 1 ATOM 370 C CG . TYR A 1 52 ? 17.769 15.514 9.011 1.00 30.54 ? 60 TYR A CG 1 ATOM 371 C CD1 . TYR A 1 52 ? 16.951 15.630 7.897 1.00 34.21 ? 60 TYR A CD1 1 ATOM 372 C CD2 . TYR A 1 52 ? 19.013 14.899 8.855 1.00 30.53 ? 60 TYR A CD2 1 ATOM 373 C CE1 . TYR A 1 52 ? 17.353 15.145 6.666 1.00 35.38 ? 60 TYR A CE1 1 ATOM 374 C CE2 . TYR A 1 52 ? 19.421 14.413 7.633 1.00 31.55 ? 60 TYR A CE2 1 ATOM 375 C CZ . TYR A 1 52 ? 18.589 14.540 6.539 1.00 36.35 ? 60 TYR A CZ 1 ATOM 376 O OH . TYR A 1 52 ? 18.989 14.057 5.317 1.00 39.21 ? 60 TYR A OH 1 ATOM 377 N N . PHE A 1 53 ? 17.732 18.110 12.909 1.00 22.75 ? 61 PHE A N 1 ATOM 378 C CA . PHE A 1 53 ? 17.160 18.511 14.195 1.00 22.21 ? 61 PHE A CA 1 ATOM 379 C C . PHE A 1 53 ? 18.173 19.383 14.912 1.00 20.74 ? 61 PHE A C 1 ATOM 380 O O . PHE A 1 53 ? 18.636 19.038 15.984 1.00 23.65 ? 61 PHE A O 1 ATOM 381 C CB . PHE A 1 53 ? 16.800 17.287 15.053 1.00 19.40 ? 61 PHE A CB 1 ATOM 382 C CG . PHE A 1 53 ? 15.843 16.341 14.388 1.00 20.52 ? 61 PHE A CG 1 ATOM 383 C CD1 . PHE A 1 53 ? 14.475 16.581 14.407 1.00 23.40 ? 61 PHE A CD1 1 ATOM 384 C CD2 . PHE A 1 53 ? 16.307 15.203 13.753 1.00 23.49 ? 61 PHE A CD2 1 ATOM 385 C CE1 . PHE A 1 53 ? 13.588 15.683 13.785 1.00 22.31 ? 61 PHE A CE1 1 ATOM 386 C CE2 . PHE A 1 53 ? 15.430 14.315 13.137 1.00 24.76 ? 61 PHE A CE2 1 ATOM 387 C CZ . PHE A 1 53 ? 14.075 14.564 13.148 1.00 21.27 ? 61 PHE A CZ 1 ATOM 388 N N . LYS A 1 54 ? 18.516 20.518 14.309 1.00 28.76 ? 62 LYS A N 1 ATOM 389 C CA . LYS A 1 54 ? 19.768 21.210 14.639 1.00 28.61 ? 62 LYS A CA 1 ATOM 390 C C . LYS A 1 54 ? 19.967 21.691 16.081 1.00 30.88 ? 62 LYS A C 1 ATOM 391 O O . LYS A 1 54 ? 21.113 21.825 16.524 1.00 35.24 ? 62 LYS A O 1 ATOM 392 C CB . LYS A 1 54 ? 19.950 22.412 13.698 1.00 36.01 ? 62 LYS A CB 1 ATOM 393 C CG . LYS A 1 54 ? 18.794 23.390 13.700 1.00 39.95 ? 62 LYS A CG 1 ATOM 394 C CD . LYS A 1 54 ? 19.025 24.499 12.684 1.00 46.40 ? 62 LYS A CD 1 ATOM 395 C CE . LYS A 1 54 ? 20.382 25.149 12.883 1.00 53.24 ? 62 LYS A CE 1 ATOM 396 N NZ . LYS A 1 54 ? 20.627 26.256 11.914 1.00 56.44 ? 62 LYS A NZ 1 ATOM 397 N N . HIS A 1 55 ? 18.903 21.968 16.827 1.00 25.94 ? 63 HIS A N 1 ATOM 398 C CA . HIS A 1 55 ? 19.132 22.458 18.191 1.00 26.89 ? 63 HIS A CA 1 ATOM 399 C C . HIS A 1 55 ? 19.112 21.316 19.221 1.00 22.95 ? 63 HIS A C 1 ATOM 400 O O . HIS A 1 55 ? 19.159 21.551 20.427 1.00 24.99 ? 63 HIS A O 1 ATOM 401 C CB . HIS A 1 55 ? 18.102 23.535 18.568 1.00 29.50 ? 63 HIS A CB 1 ATOM 402 C CG . HIS A 1 55 ? 18.040 24.682 17.601 1.00 31.59 ? 63 HIS A CG 1 ATOM 403 N ND1 . HIS A 1 55 ? 19.042 25.622 17.490 1.00 31.60 ? 63 HIS A ND1 1 ATOM 404 C CD2 . HIS A 1 55 ? 17.090 25.040 16.703 1.00 35.20 ? 63 HIS A CD2 1 ATOM 405 C CE1 . HIS A 1 55 ? 18.714 26.508 16.565 1.00 33.61 ? 63 HIS A CE1 1 ATOM 406 N NE2 . HIS A 1 55 ? 17.535 26.176 16.071 1.00 33.49 ? 63 HIS A NE2 1 ATOM 407 N N . ASN A 1 56 ? 19.068 20.080 18.739 1.00 20.82 ? 64 ASN A N 1 ATOM 408 C CA . ASN A 1 56 ? 18.926 18.907 19.608 1.00 21.01 ? 64 ASN A CA 1 ATOM 409 C C . ASN A 1 56 ? 20.243 18.191 19.896 1.00 21.83 ? 64 ASN A C 1 ATOM 410 O O . ASN A 1 56 ? 21.180 18.288 19.111 1.00 25.16 ? 64 ASN A O 1 ATOM 411 C CB . ASN A 1 56 ? 17.963 17.895 18.977 1.00 23.40 ? 64 ASN A CB 1 ATOM 412 C CG . ASN A 1 56 ? 16.522 18.337 19.047 1.00 26.11 ? 64 ASN A CG 1 ATOM 413 O OD1 . ASN A 1 56 ? 16.025 19.039 18.163 1.00 31.75 ? 64 ASN A OD1 1 ATOM 414 N ND2 . ASN A 1 56 ? 15.845 17.940 20.110 1.00 25.66 ? 64 ASN A ND2 1 ATOM 415 N N . ASN A 1 57 ? 20.314 17.494 21.026 1.00 21.24 ? 65 ASN A N 1 ATOM 416 C CA . ASN A 1 57 ? 21.300 16.423 21.191 1.00 21.69 ? 65 ASN A CA 1 ATOM 417 C C . ASN A 1 57 ? 20.535 15.094 21.218 1.00 21.08 ? 65 ASN A C 1 ATOM 418 O O . ASN A 1 57 ? 19.320 15.080 21.000 1.00 19.26 ? 65 ASN A O 1 ATOM 419 C CB . ASN A 1 57 ? 22.163 16.623 22.449 1.00 21.13 ? 65 ASN A CB 1 ATOM 420 C CG . ASN A 1 57 ? 21.343 16.829 23.715 1.00 22.94 ? 65 ASN A CG 1 ATOM 421 O OD1 . ASN A 1 57 ? 20.198 16.397 23.807 1.00 21.09 ? 65 ASN A OD1 1 ATOM 422 N ND2 . ASN A 1 57 ? 21.934 17.492 24.698 1.00 22.93 ? 65 ASN A ND2 1 ATOM 423 N N . MET A 1 58 ? 21.207 13.975 21.453 1.00 20.07 ? 66 MET A N 1 ATOM 424 C CA . MET A 1 58 ? 20.466 12.711 21.422 1.00 20.72 ? 66 MET A CA 1 ATOM 425 C C . MET A 1 58 ? 19.435 12.651 22.533 1.00 20.12 ? 66 MET A C 1 ATOM 426 O O . MET A 1 58 ? 18.328 12.142 22.343 1.00 20.80 ? 66 MET A O 1 ATOM 427 C CB . MET A 1 58 ? 21.402 11.511 21.532 1.00 22.63 ? 66 MET A CB 1 ATOM 428 C CG . MET A 1 58 ? 20.678 10.188 21.314 1.00 21.99 ? 66 MET A CG 1 ATOM 429 S SD . MET A 1 58 ? 20.080 10.044 19.618 1.00 32.99 ? 66 MET A SD 1 ATOM 430 C CE . MET A 1 58 ? 21.541 10.572 18.759 1.00 26.23 ? 66 MET A CE 1 ATOM 431 N N . ALA A 1 59 ? 19.793 13.176 23.699 1.00 20.91 ? 67 ALA A N 1 ATOM 432 C CA . ALA A 1 59 ? 18.891 13.130 24.841 1.00 26.58 ? 67 ALA A CA 1 ATOM 433 C C . ALA A 1 59 ? 17.611 13.886 24.542 1.00 25.15 ? 67 ALA A C 1 ATOM 434 O O . ALA A 1 59 ? 16.520 13.395 24.826 1.00 23.67 ? 67 ALA A O 1 ATOM 435 C CB . ALA A 1 59 ? 19.566 13.693 26.084 1.00 29.02 ? 67 ALA A CB 1 ATOM 436 N N . SER A 1 60 ? 17.735 15.079 23.963 1.00 21.80 ? 68 SER A N 1 ATOM 437 C CA . SER A 1 60 ? 16.547 15.887 23.718 1.00 24.01 ? 68 SER A CA 1 ATOM 438 C C . SER A 1 60 ? 15.749 15.318 22.551 1.00 21.52 ? 68 SER A C 1 ATOM 439 O O . SER A 1 60 ? 14.527 15.447 22.504 1.00 20.30 ? 68 SER A O 1 ATOM 440 C CB . SER A 1 60 ? 16.918 17.360 23.470 1.00 21.80 ? 68 SER A CB 1 ATOM 441 O OG . SER A 1 60 ? 17.536 17.561 22.212 1.00 22.55 ? 68 SER A OG 1 ATOM 442 N N . PHE A 1 61 ? 16.437 14.673 21.613 1.00 18.15 ? 69 PHE A N 1 ATOM 443 C CA . PHE A 1 61 ? 15.761 14.010 20.502 1.00 17.24 ? 69 PHE A CA 1 ATOM 444 C C . PHE A 1 61 ? 14.885 12.895 21.052 1.00 17.62 ? 69 PHE A C 1 ATOM 445 O O . PHE A 1 61 ? 13.703 12.780 20.713 1.00 15.18 ? 69 PHE A O 1 ATOM 446 C CB . PHE A 1 61 ? 16.788 13.470 19.506 1.00 16.59 ? 69 PHE A CB 1 ATOM 447 C CG . PHE A 1 61 ? 16.210 12.590 18.432 1.00 16.30 ? 69 PHE A CG 1 ATOM 448 C CD1 . PHE A 1 61 ? 15.615 13.139 17.309 1.00 17.69 ? 69 PHE A CD1 1 ATOM 449 C CD2 . PHE A 1 61 ? 16.301 11.216 18.530 1.00 16.80 ? 69 PHE A CD2 1 ATOM 450 C CE1 . PHE A 1 61 ? 15.101 12.333 16.315 1.00 21.46 ? 69 PHE A CE1 1 ATOM 451 C CE2 . PHE A 1 61 ? 15.768 10.398 17.530 1.00 18.28 ? 69 PHE A CE2 1 ATOM 452 C CZ . PHE A 1 61 ? 15.175 10.967 16.425 1.00 18.12 ? 69 PHE A CZ 1 ATOM 453 N N . VAL A 1 62 ? 15.455 12.092 21.939 1.00 16.11 ? 70 VAL A N 1 ATOM 454 C CA . VAL A 1 62 ? 14.696 10.992 22.520 1.00 19.92 ? 70 VAL A CA 1 ATOM 455 C C . VAL A 1 62 ? 13.585 11.500 23.445 1.00 20.77 ? 70 VAL A C 1 ATOM 456 O O . VAL A 1 62 ? 12.503 10.901 23.521 1.00 17.67 ? 70 VAL A O 1 ATOM 457 C CB . VAL A 1 62 ? 15.636 10.035 23.266 1.00 21.38 ? 70 VAL A CB 1 ATOM 458 C CG1 . VAL A 1 62 ? 14.844 9.039 24.094 1.00 25.28 ? 70 VAL A CG1 1 ATOM 459 C CG2 . VAL A 1 62 ? 16.503 9.308 22.254 1.00 22.52 ? 70 VAL A CG2 1 ATOM 460 N N . ARG A 1 63 ? 13.828 12.618 24.125 1.00 19.01 ? 71 ARG A N 1 ATOM 461 C CA . ARG A 1 63 ? 12.791 13.226 24.953 1.00 20.35 ? 71 ARG A CA 1 ATOM 462 C C . ARG A 1 63 ? 11.583 13.629 24.116 1.00 17.09 ? 71 ARG A C 1 ATOM 463 O O . ARG A 1 63 ? 10.454 13.501 24.560 1.00 19.68 ? 71 ARG A O 1 ATOM 464 C CB . ARG A 1 63 ? 13.323 14.456 25.698 1.00 22.97 ? 71 ARG A CB 1 ATOM 465 C CG . ARG A 1 63 ? 12.262 15.167 26.556 1.00 28.96 ? 71 ARG A CG 1 ATOM 466 C CD . ARG A 1 63 ? 12.726 16.531 27.075 1.00 35.24 ? 71 ARG A CD 1 ATOM 467 N NE . ARG A 1 63 ? 14.103 16.482 27.547 1.00 38.15 ? 71 ARG A NE 1 ATOM 468 C CZ . ARG A 1 63 ? 15.070 17.291 27.120 1.00 35.79 ? 71 ARG A CZ 1 ATOM 469 N NH1 . ARG A 1 63 ? 14.808 18.236 26.225 1.00 31.78 ? 71 ARG A NH1 1 ATOM 470 N NH2 . ARG A 1 63 ? 16.296 17.156 27.593 1.00 37.69 ? 71 ARG A NH2 1 ATOM 471 N N . GLN A 1 64 ? 11.827 14.139 22.914 1.00 17.77 ? 72 GLN A N 1 ATOM 472 C CA . GLN A 1 64 ? 10.732 14.545 22.046 1.00 19.54 ? 72 GLN A CA 1 ATOM 473 C C . GLN A 1 64 ? 9.939 13.344 21.561 1.00 19.23 ? 72 GLN A C 1 ATOM 474 O O . GLN A 1 64 ? 8.708 13.404 21.463 1.00 16.96 ? 72 GLN A O 1 ATOM 475 C CB . GLN A 1 64 ? 11.254 15.364 20.870 1.00 25.52 ? 72 GLN A CB 1 ATOM 476 C CG . GLN A 1 64 ? 11.483 16.809 21.266 1.00 30.44 ? 72 GLN A CG 1 ATOM 477 C CD . GLN A 1 64 ? 12.041 17.640 20.146 1.00 34.43 ? 72 GLN A CD 1 ATOM 478 O OE1 . GLN A 1 64 ? 13.253 17.682 19.936 1.00 39.29 ? 72 GLN A OE1 1 ATOM 479 N NE2 . GLN A 1 64 ? 11.161 18.315 19.416 1.00 31.59 ? 72 GLN A NE2 1 ATOM 480 N N . LEU A 1 65 ? 10.632 12.247 21.270 1.00 17.22 ? 73 LEU A N 1 ATOM 481 C CA . LEU A 1 65 ? 9.930 11.012 20.928 1.00 16.51 ? 73 LEU A CA 1 ATOM 482 C C . LEU A 1 65 ? 9.016 10.626 22.089 1.00 16.42 ? 73 LEU A C 1 ATOM 483 O O . LEU A 1 65 ? 7.838 10.310 21.889 1.00 15.58 ? 73 LEU A O 1 ATOM 484 C CB . LEU A 1 65 ? 10.915 9.877 20.609 1.00 13.67 ? 73 LEU A CB 1 ATOM 485 C CG . LEU A 1 65 ? 11.789 10.000 19.352 1.00 15.62 ? 73 LEU A CG 1 ATOM 486 C CD1 . LEU A 1 65 ? 12.710 8.788 19.255 1.00 16.20 ? 73 LEU A CD1 1 ATOM 487 C CD2 . LEU A 1 65 ? 10.948 10.136 18.096 1.00 14.02 ? 73 LEU A CD2 1 ATOM 488 N N . ASN A 1 66 ? 9.544 10.695 23.307 1.00 14.92 ? 74 ASN A N 1 ATOM 489 C CA . ASN A 1 66 ? 8.774 10.307 24.479 1.00 16.92 ? 74 ASN A CA 1 ATOM 490 C C . ASN A 1 66 ? 7.571 11.227 24.672 1.00 17.75 ? 74 ASN A C 1 ATOM 491 O O . ASN A 1 66 ? 6.472 10.777 25.010 1.00 18.71 ? 74 ASN A O 1 ATOM 492 C CB . ASN A 1 66 ? 9.657 10.312 25.734 1.00 18.35 ? 74 ASN A CB 1 ATOM 493 C CG . ASN A 1 66 ? 8.922 9.795 26.963 1.00 22.20 ? 74 ASN A CG 1 ATOM 494 O OD1 . ASN A 1 66 ? 8.699 8.590 27.099 1.00 21.25 ? 74 ASN A OD1 1 ATOM 495 N ND2 . ASN A 1 66 ? 8.548 10.702 27.863 1.00 23.25 ? 74 ASN A ND2 1 ATOM 496 N N . MET A 1 67 ? 7.780 12.513 24.418 1.00 16.82 ? 75 MET A N 1 ATOM 497 C CA . MET A 1 67 ? 6.727 13.503 24.596 1.00 20.49 ? 75 MET A CA 1 ATOM 498 C C . MET A 1 67 ? 5.537 13.222 23.679 1.00 20.92 ? 75 MET A C 1 ATOM 499 O O . MET A 1 67 ? 4.392 13.520 24.024 1.00 21.09 ? 75 MET A O 1 ATOM 500 C CB . MET A 1 67 ? 7.262 14.906 24.337 1.00 24.84 ? 75 MET A CB 1 ATOM 501 C CG . MET A 1 67 ? 6.202 15.977 24.384 1.00 28.58 ? 75 MET A CG 1 ATOM 502 S SD . MET A 1 67 ? 6.927 17.603 24.096 1.00 34.43 ? 75 MET A SD 1 ATOM 503 C CE . MET A 1 67 ? 7.313 17.509 22.349 1.00 26.49 ? 75 MET A CE 1 ATOM 504 N N . TYR A 1 68 ? 5.810 12.661 22.508 1.00 17.06 ? 76 TYR A N 1 ATOM 505 C CA . TYR A 1 68 ? 4.744 12.398 21.547 1.00 17.51 ? 76 TYR A CA 1 ATOM 506 C C . TYR A 1 68 ? 4.172 10.989 21.686 1.00 15.00 ? 76 TYR A C 1 ATOM 507 O O . TYR A 1 68 ? 3.404 10.534 20.835 1.00 18.76 ? 76 TYR A O 1 ATOM 508 C CB . TYR A 1 68 ? 5.241 12.637 20.120 1.00 16.19 ? 76 TYR A CB 1 ATOM 509 C CG . TYR A 1 68 ? 5.308 14.113 19.771 1.00 17.08 ? 76 TYR A CG 1 ATOM 510 C CD1 . TYR A 1 68 ? 4.163 14.906 19.792 1.00 19.96 ? 76 TYR A CD1 1 ATOM 511 C CD2 . TYR A 1 68 ? 6.512 14.714 19.436 1.00 17.55 ? 76 TYR A CD2 1 ATOM 512 C CE1 . TYR A 1 68 ? 4.220 16.260 19.486 1.00 19.22 ? 76 TYR A CE1 1 ATOM 513 C CE2 . TYR A 1 68 ? 6.576 16.067 19.129 1.00 16.32 ? 76 TYR A CE2 1 ATOM 514 C CZ . TYR A 1 68 ? 5.429 16.825 19.152 1.00 19.03 ? 76 TYR A CZ 1 ATOM 515 O OH . TYR A 1 68 ? 5.508 18.162 18.837 1.00 20.68 ? 76 TYR A OH 1 ATOM 516 N N . GLY A 1 69 ? 4.549 10.301 22.759 1.00 15.03 ? 77 GLY A N 1 ATOM 517 C CA . GLY A 1 69 ? 4.005 8.984 23.027 1.00 18.21 ? 77 GLY A CA 1 ATOM 518 C C . GLY A 1 69 ? 4.636 7.820 22.287 1.00 16.20 ? 77 GLY A C 1 ATOM 519 O O . GLY A 1 69 ? 4.060 6.713 22.280 1.00 17.23 ? 77 GLY A O 1 ATOM 520 N N . PHE A 1 70 ? 5.791 8.035 21.655 1.00 14.64 ? 78 PHE A N 1 ATOM 521 C CA . PHE A 1 70 ? 6.529 6.911 21.077 1.00 14.74 ? 78 PHE A CA 1 ATOM 522 C C . PHE A 1 70 ? 6.982 5.984 22.195 1.00 18.04 ? 78 PHE A C 1 ATOM 523 O O . PHE A 1 70 ? 7.254 6.433 23.308 1.00 18.57 ? 78 PHE A O 1 ATOM 524 C CB . PHE A 1 70 ? 7.757 7.374 20.270 1.00 13.60 ? 78 PHE A CB 1 ATOM 525 C CG . PHE A 1 70 ? 7.417 8.002 18.939 1.00 12.84 ? 78 PHE A CG 1 ATOM 526 C CD1 . PHE A 1 70 ? 6.877 9.274 18.878 1.00 14.11 ? 78 PHE A CD1 1 ATOM 527 C CD2 . PHE A 1 70 ? 7.677 7.331 17.754 1.00 14.37 ? 78 PHE A CD2 1 ATOM 528 C CE1 . PHE A 1 70 ? 6.578 9.857 17.667 1.00 15.88 ? 78 PHE A CE1 1 ATOM 529 C CE2 . PHE A 1 70 ? 7.376 7.906 16.536 1.00 15.89 ? 78 PHE A CE2 1 ATOM 530 C CZ . PHE A 1 70 ? 6.827 9.179 16.491 1.00 14.64 ? 78 PHE A CZ 1 ATOM 531 N N . ARG A 1 71 ? 7.054 4.695 21.893 1.00 16.55 ? 79 ARG A N 1 ATOM 532 C CA . ARG A 1 71 ? 7.610 3.720 22.822 1.00 16.05 ? 79 ARG A CA 1 ATOM 533 C C . ARG A 1 71 ? 8.843 3.086 22.218 1.00 15.96 ? 79 ARG A C 1 ATOM 534 O O . ARG A 1 71 ? 9.183 3.330 21.050 1.00 16.66 ? 79 ARG A O 1 ATOM 535 C CB . ARG A 1 71 ? 6.570 2.655 23.170 1.00 18.64 ? 79 ARG A CB 1 ATOM 536 C CG . ARG A 1 71 ? 5.242 3.245 23.652 1.00 20.65 ? 79 ARG A CG 1 ATOM 537 C CD . ARG A 1 71 ? 4.952 2.968 25.113 1.00 34.15 ? 79 ARG A CD 1 ATOM 538 N NE . ARG A 1 71 ? 3.748 3.668 25.563 1.00 39.82 ? 79 ARG A NE 1 ATOM 539 C CZ . ARG A 1 71 ? 2.577 3.087 25.836 1.00 44.93 ? 79 ARG A CZ 1 ATOM 540 N NH1 . ARG A 1 71 ? 2.421 1.773 25.725 1.00 41.29 ? 79 ARG A NH1 1 ATOM 541 N NH2 . ARG A 1 71 ? 1.552 3.829 26.237 1.00 47.23 ? 79 ARG A NH2 1 ATOM 542 N N . LYS A 1 72 ? 9.519 2.279 23.026 1.00 18.58 ? 80 LYS A N 1 ATOM 543 C CA . LYS A 1 72 ? 10.680 1.539 22.583 1.00 15.95 ? 80 LYS A CA 1 ATOM 544 C C . LYS A 1 72 ? 10.315 0.066 22.425 1.00 16.44 ? 80 LYS A C 1 ATOM 545 O O . LYS A 1 72 ? 9.538 -0.479 23.219 1.00 21.05 ? 80 LYS A O 1 ATOM 546 C CB . LYS A 1 72 ? 11.827 1.721 23.582 1.00 21.47 ? 80 LYS A CB 1 ATOM 547 C CG . LYS A 1 72 ? 13.120 1.052 23.180 1.00 27.89 ? 80 LYS A CG 1 ATOM 548 C CD . LYS A 1 72 ? 14.311 1.651 23.937 1.00 29.97 ? 80 LYS A CD 1 ATOM 549 C CE . LYS A 1 72 ? 14.064 1.730 25.426 1.00 33.52 ? 80 LYS A CE 1 ATOM 550 N NZ . LYS A 1 72 ? 15.305 2.163 26.152 1.00 37.20 ? 80 LYS A NZ 1 ATOM 551 N N . VAL A 1 73 ? 10.851 -0.561 21.383 1.00 17.23 ? 81 VAL A N 1 ATOM 552 C CA . VAL A 1 73 ? 10.616 -1.979 21.116 1.00 17.39 ? 81 VAL A CA 1 ATOM 553 C C . VAL A 1 73 ? 11.882 -2.773 21.399 1.00 21.19 ? 81 VAL A C 1 ATOM 554 O O . VAL A 1 73 ? 12.929 -2.490 20.835 1.00 20.12 ? 81 VAL A O 1 ATOM 555 C CB . VAL A 1 73 ? 10.184 -2.217 19.659 1.00 16.64 ? 81 VAL A CB 1 ATOM 556 C CG1 . VAL A 1 73 ? 9.939 -3.706 19.413 1.00 22.41 ? 81 VAL A CG1 1 ATOM 557 C CG2 . VAL A 1 73 ? 8.923 -1.401 19.331 1.00 21.95 ? 81 VAL A CG2 1 ATOM 558 N N . VAL A 1 74 ? 11.801 -3.768 22.273 1.00 20.04 ? 82 VAL A N 1 ATOM 559 C CA . VAL A 1 74 ? 13.001 -4.513 22.614 1.00 21.07 ? 82 VAL A CA 1 ATOM 560 C C . VAL A 1 74 ? 12.750 -6.009 22.532 1.00 21.71 ? 82 VAL A C 1 ATOM 561 O O . VAL A 1 74 ? 11.629 -6.469 22.688 1.00 21.03 ? 82 VAL A O 1 ATOM 562 C CB . VAL A 1 74 ? 13.514 -4.157 24.021 1.00 24.24 ? 82 VAL A CB 1 ATOM 563 C CG1 . VAL A 1 74 ? 13.831 -2.668 24.114 1.00 26.91 ? 82 VAL A CG1 1 ATOM 564 C CG2 . VAL A 1 74 ? 12.501 -4.547 25.074 1.00 27.59 ? 82 VAL A CG2 1 ATOM 565 N N . HIS A 1 75 ? 13.805 -6.764 22.264 1.00 23.05 ? 83 HIS A N 1 ATOM 566 C CA . HIS A 1 75 ? 13.681 -8.212 22.228 1.00 23.82 ? 83 HIS A CA 1 ATOM 567 C C . HIS A 1 75 ? 13.339 -8.742 23.604 1.00 24.48 ? 83 HIS A C 1 ATOM 568 O O . HIS A 1 75 ? 13.771 -8.198 24.616 1.00 26.21 ? 83 HIS A O 1 ATOM 569 C CB . HIS A 1 75 ? 14.984 -8.851 21.734 1.00 35.94 ? 83 HIS A CB 1 ATOM 570 C CG . HIS A 1 75 ? 15.172 -8.783 20.250 1.00 43.02 ? 83 HIS A CG 1 ATOM 571 N ND1 . HIS A 1 75 ? 15.265 -7.591 19.564 1.00 46.94 ? 83 HIS A ND1 1 ATOM 572 C CD2 . HIS A 1 75 ? 15.295 -9.762 19.322 1.00 46.36 ? 83 HIS A CD2 1 ATOM 573 C CE1 . HIS A 1 75 ? 15.433 -7.838 18.277 1.00 48.00 ? 83 HIS A CE1 1 ATOM 574 N NE2 . HIS A 1 75 ? 15.456 -9.148 18.103 1.00 48.08 ? 83 HIS A NE2 1 ATOM 575 N N . ILE A 1 76 ? 12.561 -9.818 23.651 1.00 24.46 ? 84 ILE A N 1 ATOM 576 C CA . ILE A 1 76 ? 12.406 -10.532 24.895 1.00 25.39 ? 84 ILE A CA 1 ATOM 577 C C . ILE A 1 76 ? 13.774 -11.118 25.252 1.00 30.24 ? 84 ILE A C 1 ATOM 578 O O . ILE A 1 76 ? 14.407 -11.782 24.434 1.00 32.87 ? 84 ILE A O 1 ATOM 579 C CB . ILE A 1 76 ? 11.340 -11.636 24.785 1.00 25.06 ? 84 ILE A CB 1 ATOM 580 C CG1 . ILE A 1 76 ? 9.971 -11.012 24.499 1.00 23.24 ? 84 ILE A CG1 1 ATOM 581 C CG2 . ILE A 1 76 ? 11.292 -12.462 26.056 1.00 27.82 ? 84 ILE A CG2 1 ATOM 582 C CD1 . ILE A 1 76 ? 8.896 -12.046 24.193 1.00 25.55 ? 84 ILE A CD1 1 ATOM 583 N N . GLU A 1 77 ? 14.249 -10.843 26.456 1.00 33.92 ? 85 GLU A N 1 ATOM 584 C CA . GLU A 1 77 ? 15.534 -11.389 26.882 1.00 43.50 ? 85 GLU A CA 1 ATOM 585 C C . GLU A 1 77 ? 15.325 -12.585 27.805 1.00 47.83 ? 85 GLU A C 1 ATOM 586 O O . GLU A 1 77 ? 15.573 -13.726 27.415 1.00 52.52 ? 85 GLU A O 1 ATOM 587 C CB . GLU A 1 77 ? 16.380 -10.319 27.576 1.00 48.95 ? 85 GLU A CB 1 ATOM 588 C CG . GLU A 1 77 ? 17.690 -10.839 28.159 1.00 57.50 ? 85 GLU A CG 1 ATOM 589 C CD . GLU A 1 77 ? 18.877 -10.668 27.225 1.00 65.00 ? 85 GLU A CD 1 ATOM 590 O OE1 . GLU A 1 77 ? 20.014 -10.991 27.637 1.00 68.94 ? 85 GLU A OE1 1 ATOM 591 O OE2 . GLU A 1 77 ? 18.677 -10.209 26.081 1.00 67.16 ? 85 GLU A OE2 1 ATOM 592 N N . VAL A 1 82 ? 23.884 -11.689 22.211 1.00 42.68 ? 90 VAL A N 1 ATOM 593 C CA . VAL A 1 82 ? 25.123 -11.334 21.514 1.00 44.08 ? 90 VAL A CA 1 ATOM 594 C C . VAL A 1 82 ? 25.052 -9.915 20.956 1.00 38.99 ? 90 VAL A C 1 ATOM 595 O O . VAL A 1 82 ? 24.177 -9.608 20.147 1.00 35.88 ? 90 VAL A O 1 ATOM 596 C CB . VAL A 1 82 ? 25.426 -12.313 20.365 1.00 45.25 ? 90 VAL A CB 1 ATOM 597 C CG1 . VAL A 1 82 ? 26.547 -11.774 19.505 1.00 45.45 ? 90 VAL A CG1 1 ATOM 598 C CG2 . VAL A 1 82 ? 25.762 -13.692 20.905 1.00 50.35 ? 90 VAL A CG2 1 ATOM 599 N N . LYS A 1 83 ? 25.980 -9.054 21.380 1.00 38.04 ? 91 LYS A N 1 ATOM 600 C CA . LYS A 1 83 ? 25.959 -7.651 20.960 1.00 37.71 ? 91 LYS A CA 1 ATOM 601 C C . LYS A 1 83 ? 26.133 -7.521 19.457 1.00 36.49 ? 91 LYS A C 1 ATOM 602 O O . LYS A 1 83 ? 26.943 -8.245 18.857 1.00 35.83 ? 91 LYS A O 1 ATOM 603 C CB . LYS A 1 83 ? 27.049 -6.842 21.675 1.00 41.14 ? 91 LYS A CB 1 ATOM 604 C CG . LYS A 1 83 ? 26.788 -6.616 23.157 1.00 42.79 ? 91 LYS A CG 1 ATOM 605 C CD . LYS A 1 83 ? 27.776 -5.612 23.735 1.00 41.64 ? 91 LYS A CD 1 ATOM 606 C CE . LYS A 1 83 ? 27.662 -5.530 25.251 1.00 42.21 ? 91 LYS A CE 1 ATOM 607 N NZ . LYS A 1 83 ? 28.615 -4.539 25.843 1.00 41.76 ? 91 LYS A NZ 1 ATOM 608 N N . PRO A 1 84 ? 25.372 -6.604 18.844 1.00 36.24 ? 92 PRO A N 1 ATOM 609 C CA . PRO A 1 84 ? 25.512 -6.321 17.414 1.00 35.92 ? 92 PRO A CA 1 ATOM 610 C C . PRO A 1 84 ? 26.710 -5.423 17.128 1.00 33.09 ? 92 PRO A C 1 ATOM 611 O O . PRO A 1 84 ? 27.268 -4.827 18.050 1.00 33.63 ? 92 PRO A O 1 ATOM 612 C CB . PRO A 1 84 ? 24.199 -5.607 17.066 1.00 34.01 ? 92 PRO A CB 1 ATOM 613 C CG . PRO A 1 84 ? 23.776 -4.956 18.350 1.00 30.15 ? 92 PRO A CG 1 ATOM 614 C CD . PRO A 1 84 ? 24.236 -5.883 19.451 1.00 35.72 ? 92 PRO A CD 1 ATOM 615 N N . GLU A 1 85 ? 27.090 -5.331 15.860 1.00 32.99 ? 93 GLU A N 1 ATOM 616 C CA . GLU A 1 85 ? 28.219 -4.510 15.465 1.00 33.55 ? 93 GLU A CA 1 ATOM 617 C C . GLU A 1 85 ? 28.007 -3.066 15.895 1.00 32.56 ? 93 GLU A C 1 ATOM 618 O O . GLU A 1 85 ? 28.896 -2.443 16.462 1.00 33.31 ? 93 GLU A O 1 ATOM 619 C CB . GLU A 1 85 ? 28.438 -4.580 13.958 1.00 36.88 ? 93 GLU A CB 1 ATOM 620 C CG . GLU A 1 85 ? 29.690 -3.872 13.500 1.00 39.28 ? 93 GLU A CG 1 ATOM 621 C CD . GLU A 1 85 ? 29.849 -3.908 11.998 1.00 45.12 ? 93 GLU A CD 1 ATOM 622 O OE1 . GLU A 1 85 ? 29.277 -4.822 11.367 1.00 48.15 ? 93 GLU A OE1 1 ATOM 623 O OE2 . GLU A 1 85 ? 30.535 -3.018 11.451 1.00 50.58 ? 93 GLU A OE2 1 ATOM 624 N N . ARG A 1 86 ? 26.821 -2.537 15.632 1.00 30.87 ? 94 ARG A N 1 ATOM 625 C CA . ARG A 1 86 ? 26.497 -1.209 16.133 1.00 32.08 ? 94 ARG A CA 1 ATOM 626 C C . ARG A 1 86 ? 25.207 -1.233 16.932 1.00 28.82 ? 94 ARG A C 1 ATOM 627 O O . ARG A 1 86 ? 24.340 -2.092 16.721 1.00 28.37 ? 94 ARG A O 1 ATOM 628 C CB . ARG A 1 86 ? 26.389 -0.221 14.986 1.00 36.00 ? 94 ARG A CB 1 ATOM 629 C CG . ARG A 1 86 ? 25.381 -0.648 13.977 1.00 38.18 ? 94 ARG A CG 1 ATOM 630 C CD . ARG A 1 86 ? 25.709 -0.098 12.616 1.00 42.82 ? 94 ARG A CD 1 ATOM 631 N NE . ARG A 1 86 ? 24.652 -0.464 11.684 1.00 44.25 ? 94 ARG A NE 1 ATOM 632 C CZ . ARG A 1 86 ? 24.172 0.350 10.754 1.00 39.47 ? 94 ARG A CZ 1 ATOM 633 N NH1 . ARG A 1 86 ? 24.666 1.576 10.629 1.00 40.30 ? 94 ARG A NH1 1 ATOM 634 N NH2 . ARG A 1 86 ? 23.209 -0.065 9.949 1.00 34.67 ? 94 ARG A NH2 1 ATOM 635 N N . ASP A 1 87 ? 25.089 -0.303 17.868 1.00 28.46 ? 95 ASP A N 1 ATOM 636 C CA . ASP A 1 87 ? 23.916 -0.271 18.722 1.00 27.54 ? 95 ASP A CA 1 ATOM 637 C C . ASP A 1 87 ? 22.686 0.006 17.874 1.00 25.82 ? 95 ASP A C 1 ATOM 638 O O . ASP A 1 87 ? 22.744 0.650 16.830 1.00 25.14 ? 95 ASP A O 1 ATOM 639 C CB . ASP A 1 87 ? 24.060 0.768 19.837 1.00 27.46 ? 95 ASP A CB 1 ATOM 640 C CG . ASP A 1 87 ? 24.391 2.153 19.308 1.00 30.32 ? 95 ASP A CG 1 ATOM 641 O OD1 . ASP A 1 87 ? 25.590 2.483 19.192 1.00 34.25 ? 95 ASP A OD1 1 ATOM 642 O OD2 . ASP A 1 87 ? 23.454 2.916 19.012 1.00 29.48 ? 95 ASP A OD2 1 ATOM 643 N N . ASP A 1 88 ? 21.570 -0.527 18.332 1.00 19.17 ? 96 ASP A N 1 ATOM 644 C CA . ASP A 1 88 ? 20.341 -0.504 17.568 1.00 19.71 ? 96 ASP A CA 1 ATOM 645 C C . ASP A 1 88 ? 19.225 -0.245 18.556 1.00 18.61 ? 96 ASP A C 1 ATOM 646 O O . ASP A 1 88 ? 19.020 -1.037 19.475 1.00 21.35 ? 96 ASP A O 1 ATOM 647 C CB . ASP A 1 88 ? 20.182 -1.841 16.823 1.00 23.80 ? 96 ASP A CB 1 ATOM 648 C CG . ASP A 1 88 ? 18.796 -2.053 16.233 1.00 28.13 ? 96 ASP A CG 1 ATOM 649 O OD1 . ASP A 1 88 ? 17.985 -1.108 16.168 1.00 24.57 ? 96 ASP A OD1 1 ATOM 650 O OD2 . ASP A 1 88 ? 18.527 -3.195 15.803 1.00 31.91 ? 96 ASP A OD2 1 ATOM 651 N N . THR A 1 89 ? 18.529 0.881 18.384 1.00 15.48 ? 97 THR A N 1 ATOM 652 C CA . THR A 1 89 ? 17.368 1.202 19.202 1.00 16.79 ? 97 THR A CA 1 ATOM 653 C C . THR A 1 89 ? 16.136 1.284 18.328 1.00 17.93 ? 97 THR A C 1 ATOM 654 O O . THR A 1 89 ? 16.155 1.936 17.282 1.00 21.43 ? 97 THR A O 1 ATOM 655 C CB . THR A 1 89 ? 17.555 2.527 19.948 1.00 21.29 ? 97 THR A CB 1 ATOM 656 O OG1 . THR A 1 89 ? 18.803 2.500 20.656 1.00 25.65 ? 97 THR A OG1 1 ATOM 657 C CG2 . THR A 1 89 ? 16.408 2.747 20.938 1.00 24.08 ? 97 THR A CG2 1 ATOM 658 N N . GLU A 1 90 ? 15.052 0.636 18.753 1.00 16.66 ? 98 GLU A N 1 ATOM 659 C CA . GLU A 1 90 ? 13.835 0.649 17.956 1.00 15.84 ? 98 GLU A CA 1 ATOM 660 C C . GLU A 1 90 ? 12.725 1.428 18.641 1.00 14.49 ? 98 GLU A C 1 ATOM 661 O O . GLU A 1 90 ? 12.437 1.201 19.818 1.00 17.88 ? 98 GLU A O 1 ATOM 662 C CB . GLU A 1 90 ? 13.365 -0.778 17.676 1.00 18.33 ? 98 GLU A CB 1 ATOM 663 C CG . GLU A 1 90 ? 12.244 -0.848 16.685 1.00 21.29 ? 98 GLU A CG 1 ATOM 664 C CD . GLU A 1 90 ? 11.925 -2.262 16.241 1.00 24.38 ? 98 GLU A CD 1 ATOM 665 O OE1 . GLU A 1 90 ? 12.399 -3.239 16.859 1.00 26.47 ? 98 GLU A OE1 1 ATOM 666 O OE2 . GLU A 1 90 ? 11.182 -2.384 15.254 1.00 26.43 ? 98 GLU A OE2 1 ATOM 667 N N . PHE A 1 91 ? 12.123 2.346 17.895 1.00 14.33 ? 99 PHE A N 1 ATOM 668 C CA . PHE A 1 91 ? 11.051 3.183 18.409 1.00 14.87 ? 99 PHE A CA 1 ATOM 669 C C . PHE A 1 91 ? 9.779 3.005 17.582 1.00 14.74 ? 99 PHE A C 1 ATOM 670 O O . PHE A 1 91 ? 9.834 2.618 16.408 1.00 16.21 ? 99 PHE A O 1 ATOM 671 C CB . PHE A 1 91 ? 11.444 4.658 18.388 1.00 14.86 ? 99 PHE A CB 1 ATOM 672 C CG . PHE A 1 91 ? 12.678 4.983 19.175 1.00 13.19 ? 99 PHE A CG 1 ATOM 673 C CD1 . PHE A 1 91 ? 12.631 5.061 20.548 1.00 17.73 ? 99 PHE A CD1 1 ATOM 674 C CD2 . PHE A 1 91 ? 13.876 5.260 18.528 1.00 15.02 ? 99 PHE A CD2 1 ATOM 675 C CE1 . PHE A 1 91 ? 13.775 5.392 21.282 1.00 20.10 ? 99 PHE A CE1 1 ATOM 676 C CE2 . PHE A 1 91 ? 15.007 5.594 19.255 1.00 16.39 ? 99 PHE A CE2 1 ATOM 677 C CZ . PHE A 1 91 ? 14.954 5.659 20.622 1.00 16.45 ? 99 PHE A CZ 1 ATOM 678 N N . GLN A 1 92 ? 8.635 3.322 18.173 1.00 12.81 ? 100 GLN A N 1 ATOM 679 C CA . GLN A 1 92 ? 7.392 3.176 17.417 1.00 14.01 ? 100 GLN A CA 1 ATOM 680 C C . GLN A 1 92 ? 6.247 4.007 17.979 1.00 14.19 ? 100 GLN A C 1 ATOM 681 O O . GLN A 1 92 ? 6.219 4.341 19.164 1.00 14.69 ? 100 GLN A O 1 ATOM 682 C CB . GLN A 1 92 ? 6.979 1.694 17.348 1.00 21.51 ? 100 GLN A CB 1 ATOM 683 C CG . GLN A 1 92 ? 6.336 1.176 18.589 1.00 25.35 ? 100 GLN A CG 1 ATOM 684 C CD . GLN A 1 92 ? 5.692 -0.214 18.414 1.00 27.87 ? 100 GLN A CD 1 ATOM 685 O OE1 . GLN A 1 92 ? 5.930 -0.947 17.436 1.00 26.66 ? 100 GLN A OE1 1 ATOM 686 N NE2 . GLN A 1 92 ? 4.889 -0.576 19.382 1.00 25.03 ? 100 GLN A NE2 1 ATOM 687 N N . HIS A 1 93 ? 5.326 4.347 17.088 1.00 13.80 ? 101 HIS A N 1 ATOM 688 C CA . HIS A 1 93 ? 4.065 5.012 17.425 1.00 15.23 ? 101 HIS A CA 1 ATOM 689 C C . HIS A 1 93 ? 3.031 4.458 16.466 1.00 13.52 ? 101 HIS A C 1 ATOM 690 O O . HIS A 1 93 ? 3.308 4.304 15.286 1.00 14.43 ? 101 HIS A O 1 ATOM 691 C CB . HIS A 1 93 ? 4.182 6.540 17.286 1.00 13.34 ? 101 HIS A CB 1 ATOM 692 C CG . HIS A 1 93 ? 3.012 7.303 17.842 1.00 16.99 ? 101 HIS A CG 1 ATOM 693 N ND1 . HIS A 1 93 ? 1.762 7.297 17.258 1.00 15.16 ? 101 HIS A ND1 1 ATOM 694 C CD2 . HIS A 1 93 ? 2.913 8.105 18.930 1.00 15.34 ? 101 HIS A CD2 1 ATOM 695 C CE1 . HIS A 1 93 ? 0.940 8.048 17.971 1.00 17.29 ? 101 HIS A CE1 1 ATOM 696 N NE2 . HIS A 1 93 ? 1.616 8.558 18.986 1.00 15.52 ? 101 HIS A NE2 1 ATOM 697 N N . PRO A 1 94 ? 1.821 4.173 16.961 1.00 15.46 ? 102 PRO A N 1 ATOM 698 C CA . PRO A 1 94 ? 0.834 3.554 16.069 1.00 15.09 ? 102 PRO A CA 1 ATOM 699 C C . PRO A 1 94 ? 0.397 4.448 14.907 1.00 15.45 ? 102 PRO A C 1 ATOM 700 O O . PRO A 1 94 ? -0.197 3.926 13.951 1.00 16.37 ? 102 PRO A O 1 ATOM 701 C CB . PRO A 1 94 ? -0.349 3.252 17.004 1.00 17.42 ? 102 PRO A CB 1 ATOM 702 C CG . PRO A 1 94 ? -0.195 4.200 18.147 1.00 20.31 ? 102 PRO A CG 1 ATOM 703 C CD . PRO A 1 94 ? 1.295 4.447 18.311 1.00 16.36 ? 102 PRO A CD 1 ATOM 704 N N . CYS A 1 95 ? 0.695 5.751 14.986 1.00 14.58 ? 103 CYS A N 1 ATOM 705 C CA . CYS A 1 95 ? 0.366 6.702 13.920 1.00 14.40 ? 103 CYS A CA 1 ATOM 706 C C . CYS A 1 95 ? 1.612 7.150 13.137 1.00 15.17 ? 103 CYS A C 1 ATOM 707 O O . CYS A 1 95 ? 1.568 8.126 12.379 1.00 14.79 ? 103 CYS A O 1 ATOM 708 C CB . CYS A 1 95 ? -0.335 7.923 14.508 1.00 12.96 ? 103 CYS A CB 1 ATOM 709 S SG . CYS A 1 95 ? -1.909 7.530 15.260 1.00 21.78 ? 103 CYS A SG 1 ATOM 710 N N . PHE A 1 96 ? 2.720 6.434 13.326 1.00 12.17 ? 104 PHE A N 1 ATOM 711 C CA . PHE A 1 96 ? 3.964 6.735 12.635 1.00 13.66 ? 104 PHE A CA 1 ATOM 712 C C . PHE A 1 96 ? 4.335 5.515 11.801 1.00 13.55 ? 104 PHE A C 1 ATOM 713 O O . PHE A 1 96 ? 4.971 4.599 12.295 1.00 15.39 ? 104 PHE A O 1 ATOM 714 C CB . PHE A 1 96 ? 5.076 7.092 13.648 1.00 12.03 ? 104 PHE A CB 1 ATOM 715 C CG . PHE A 1 96 ? 6.350 7.610 13.018 1.00 11.76 ? 104 PHE A CG 1 ATOM 716 C CD1 . PHE A 1 96 ? 6.517 8.969 12.741 1.00 12.87 ? 104 PHE A CD1 1 ATOM 717 C CD2 . PHE A 1 96 ? 7.371 6.739 12.713 1.00 13.87 ? 104 PHE A CD2 1 ATOM 718 C CE1 . PHE A 1 96 ? 7.706 9.436 12.146 1.00 14.70 ? 104 PHE A CE1 1 ATOM 719 C CE2 . PHE A 1 96 ? 8.557 7.190 12.132 1.00 15.61 ? 104 PHE A CE2 1 ATOM 720 C CZ . PHE A 1 96 ? 8.725 8.536 11.859 1.00 13.15 ? 104 PHE A CZ 1 ATOM 721 N N . LEU A 1 97 ? 3.889 5.489 10.551 1.00 13.64 ? 105 LEU A N 1 ATOM 722 C CA . LEU A 1 97 ? 3.936 4.261 9.748 1.00 13.64 ? 105 LEU A CA 1 ATOM 723 C C . LEU A 1 97 ? 4.465 4.522 8.353 1.00 17.12 ? 105 LEU A C 1 ATOM 724 O O . LEU A 1 97 ? 4.144 5.548 7.752 1.00 17.46 ? 105 LEU A O 1 ATOM 725 C CB . LEU A 1 97 ? 2.539 3.639 9.618 1.00 15.94 ? 105 LEU A CB 1 ATOM 726 C CG . LEU A 1 97 ? 1.758 3.311 10.882 1.00 16.14 ? 105 LEU A CG 1 ATOM 727 C CD1 . LEU A 1 97 ? 0.398 2.718 10.476 1.00 15.86 ? 105 LEU A CD1 1 ATOM 728 C CD2 . LEU A 1 97 ? 2.557 2.325 11.726 1.00 18.76 ? 105 LEU A CD2 1 ATOM 729 N N . ARG A 1 98 ? 5.239 3.573 7.828 1.00 15.17 ? 106 ARG A N 1 ATOM 730 C CA . ARG A 1 98 ? 5.731 3.668 6.461 1.00 16.84 ? 106 ARG A CA 1 ATOM 731 C C . ARG A 1 98 ? 4.577 3.847 5.474 1.00 18.07 ? 106 ARG A C 1 ATOM 732 O O . ARG A 1 98 ? 3.560 3.152 5.548 1.00 16.87 ? 106 ARG A O 1 ATOM 733 C CB . ARG A 1 98 ? 6.557 2.421 6.097 1.00 20.20 ? 106 ARG A CB 1 ATOM 734 C CG . ARG A 1 98 ? 7.195 2.483 4.713 1.00 21.67 ? 106 ARG A CG 1 ATOM 735 C CD . ARG A 1 98 ? 8.061 1.245 4.415 1.00 22.83 ? 106 ARG A CD 1 ATOM 736 N NE . ARG A 1 98 ? 7.275 0.031 4.538 1.00 23.97 ? 106 ARG A NE 1 ATOM 737 C CZ . ARG A 1 98 ? 7.680 -1.082 5.139 1.00 23.69 ? 106 ARG A CZ 1 ATOM 738 N NH1 . ARG A 1 98 ? 8.895 -1.164 5.666 1.00 24.05 ? 106 ARG A NH1 1 ATOM 739 N NH2 . ARG A 1 98 ? 6.858 -2.115 5.208 1.00 20.85 ? 106 ARG A NH2 1 ATOM 740 N N . GLY A 1 99 ? 4.734 4.806 4.566 1.00 17.78 ? 107 GLY A N 1 ATOM 741 C CA . GLY A 1 99 ? 3.757 5.023 3.514 1.00 21.16 ? 107 GLY A CA 1 ATOM 742 C C . GLY A 1 99 ? 2.467 5.706 3.943 1.00 20.41 ? 107 GLY A C 1 ATOM 743 O O . GLY A 1 99 ? 1.549 5.841 3.135 1.00 20.47 ? 107 GLY A O 1 ATOM 744 N N . GLN A 1 100 ? 2.387 6.146 5.195 1.00 15.54 ? 108 GLN A N 1 ATOM 745 C CA . GLN A 1 100 ? 1.146 6.728 5.723 1.00 17.72 ? 108 GLN A CA 1 ATOM 746 C C . GLN A 1 100 ? 1.402 8.047 6.440 1.00 15.50 ? 108 GLN A C 1 ATOM 747 O O . GLN A 1 100 ? 1.027 8.216 7.605 1.00 16.36 ? 108 GLN A O 1 ATOM 748 C CB . GLN A 1 100 ? 0.453 5.751 6.684 1.00 18.16 ? 108 GLN A CB 1 ATOM 749 C CG . GLN A 1 100 ? 0.168 4.399 6.064 1.00 20.45 ? 108 GLN A CG 1 ATOM 750 C CD . GLN A 1 100 ? -0.902 4.466 4.996 1.00 23.00 ? 108 GLN A CD 1 ATOM 751 O OE1 . GLN A 1 100 ? -1.870 5.218 5.115 1.00 22.27 ? 108 GLN A OE1 1 ATOM 752 N NE2 . GLN A 1 100 ? -0.740 3.665 3.947 1.00 24.05 ? 108 GLN A NE2 1 ATOM 753 N N . GLU A 1 101 ? 2.022 8.990 5.746 1.00 16.55 ? 109 GLU A N 1 ATOM 754 C CA . GLU A 1 101 ? 2.423 10.231 6.401 1.00 18.62 ? 109 GLU A CA 1 ATOM 755 C C . GLU A 1 101 ? 1.234 11.025 6.946 1.00 17.22 ? 109 GLU A C 1 ATOM 756 O O . GLU A 1 101 ? 1.393 11.794 7.889 1.00 19.61 ? 109 GLU A O 1 ATOM 757 C CB . GLU A 1 101 ? 3.222 11.120 5.459 1.00 20.14 ? 109 GLU A CB 1 ATOM 758 C CG . GLU A 1 101 ? 3.906 12.250 6.222 1.00 22.25 ? 109 GLU A CG 1 ATOM 759 C CD . GLU A 1 101 ? 4.760 13.149 5.358 1.00 29.03 ? 109 GLU A CD 1 ATOM 760 O OE1 . GLU A 1 101 ? 4.668 13.068 4.118 1.00 33.09 ? 109 GLU A OE1 1 ATOM 761 O OE2 . GLU A 1 101 ? 5.530 13.946 5.937 1.00 34.50 ? 109 GLU A OE2 1 ATOM 762 N N . GLN A 1 102 ? 0.050 10.831 6.368 1.00 16.15 ? 110 GLN A N 1 ATOM 763 C CA . GLN A 1 102 ? -1.110 11.610 6.809 1.00 16.63 ? 110 GLN A CA 1 ATOM 764 C C . GLN A 1 102 ? -1.489 11.280 8.254 1.00 16.90 ? 110 GLN A C 1 ATOM 765 O O . GLN A 1 102 ? -2.155 12.079 8.906 1.00 19.81 ? 110 GLN A O 1 ATOM 766 C CB . GLN A 1 102 ? -2.311 11.400 5.877 1.00 20.24 ? 110 GLN A CB 1 ATOM 767 C CG . GLN A 1 102 ? -3.089 10.110 6.087 1.00 21.07 ? 110 GLN A CG 1 ATOM 768 C CD . GLN A 1 102 ? -2.327 8.877 5.640 1.00 21.33 ? 110 GLN A CD 1 ATOM 769 O OE1 . GLN A 1 102 ? -1.272 8.970 5.006 1.00 22.92 ? 110 GLN A OE1 1 ATOM 770 N NE2 . GLN A 1 102 ? -2.867 7.710 5.961 1.00 22.47 ? 110 GLN A NE2 1 ATOM 771 N N . LEU A 1 103 ? -1.081 10.106 8.749 1.00 14.67 ? 111 LEU A N 1 ATOM 772 C CA . LEU A 1 103 ? -1.450 9.698 10.102 1.00 14.89 ? 111 LEU A CA 1 ATOM 773 C C . LEU A 1 103 ? -0.740 10.514 11.174 1.00 13.79 ? 111 LEU A C 1 ATOM 774 O O . LEU A 1 103 ? -1.116 10.459 12.334 1.00 16.59 ? 111 LEU A O 1 ATOM 775 C CB . LEU A 1 103 ? -1.152 8.210 10.328 1.00 14.75 ? 111 LEU A CB 1 ATOM 776 C CG . LEU A 1 103 ? -1.965 7.252 9.453 1.00 16.82 ? 111 LEU A CG 1 ATOM 777 C CD1 . LEU A 1 103 ? -1.530 5.831 9.749 1.00 19.71 ? 111 LEU A CD1 1 ATOM 778 C CD2 . LEU A 1 103 ? -3.466 7.403 9.668 1.00 20.50 ? 111 LEU A CD2 1 ATOM 779 N N . LEU A 1 104 ? 0.316 11.235 10.799 1.00 15.32 ? 112 LEU A N 1 ATOM 780 C CA . LEU A 1 104 ? 1.002 12.088 11.768 1.00 15.81 ? 112 LEU A CA 1 ATOM 781 C C . LEU A 1 104 ? 0.033 13.101 12.372 1.00 17.83 ? 112 LEU A C 1 ATOM 782 O O . LEU A 1 104 ? 0.260 13.590 13.479 1.00 19.14 ? 112 LEU A O 1 ATOM 783 C CB . LEU A 1 104 ? 2.186 12.827 11.129 1.00 15.92 ? 112 LEU A CB 1 ATOM 784 C CG . LEU A 1 104 ? 3.282 11.996 10.453 1.00 18.72 ? 112 LEU A CG 1 ATOM 785 C CD1 . LEU A 1 104 ? 4.311 12.953 9.848 1.00 15.50 ? 112 LEU A CD1 1 ATOM 786 C CD2 . LEU A 1 104 ? 3.954 11.057 11.445 1.00 18.62 ? 112 LEU A CD2 1 ATOM 787 N N . GLU A 1 105 ? -1.044 13.420 11.647 1.00 18.45 ? 113 GLU A N 1 ATOM 788 C CA . GLU A 1 105 ? -2.046 14.368 12.148 1.00 19.69 ? 113 GLU A CA 1 ATOM 789 C C . GLU A 1 105 ? -2.671 13.927 13.470 1.00 20.89 ? 113 GLU A C 1 ATOM 790 O O . GLU A 1 105 ? -3.229 14.745 14.201 1.00 22.46 ? 113 GLU A O 1 ATOM 791 C CB . GLU A 1 105 ? -3.156 14.569 11.113 1.00 21.38 ? 113 GLU A CB 1 ATOM 792 C CG . GLU A 1 105 ? -2.656 15.080 9.775 1.00 30.05 ? 113 GLU A CG 1 ATOM 793 C CD . GLU A 1 105 ? -3.756 15.148 8.727 1.00 45.66 ? 113 GLU A CD 1 ATOM 794 O OE1 . GLU A 1 105 ? -4.912 14.797 9.055 1.00 51.11 ? 113 GLU A OE1 1 ATOM 795 O OE2 . GLU A 1 105 ? -3.462 15.548 7.578 1.00 51.74 ? 113 GLU A OE2 1 ATOM 796 N N . ASN A 1 106 ? -2.592 12.634 13.763 1.00 17.97 ? 114 ASN A N 1 ATOM 797 C CA . ASN A 1 106 ? -3.207 12.081 14.960 1.00 20.79 ? 114 ASN A CA 1 ATOM 798 C C . ASN A 1 106 ? -2.271 11.986 16.155 1.00 21.98 ? 114 ASN A C 1 ATOM 799 O O . ASN A 1 106 ? -2.689 11.578 17.233 1.00 22.15 ? 114 ASN A O 1 ATOM 800 C CB . ASN A 1 106 ? -3.768 10.685 14.669 1.00 21.78 ? 114 ASN A CB 1 ATOM 801 C CG . ASN A 1 106 ? -4.810 10.698 13.580 1.00 26.10 ? 114 ASN A CG 1 ATOM 802 O OD1 . ASN A 1 106 ? -5.590 11.646 13.462 1.00 26.44 ? 114 ASN A OD1 1 ATOM 803 N ND2 . ASN A 1 106 ? -4.821 9.654 12.763 1.00 28.81 ? 114 ASN A ND2 1 ATOM 804 N N . ILE A 1 107 ? -1.009 12.352 15.967 1.00 20.86 ? 115 ILE A N 1 ATOM 805 C CA . ILE A 1 107 ? -0.041 12.275 17.058 1.00 17.31 ? 115 ILE A CA 1 ATOM 806 C C . ILE A 1 107 ? -0.158 13.489 17.953 1.00 22.60 ? 115 ILE A C 1 ATOM 807 O O . ILE A 1 107 ? -0.171 14.627 17.476 1.00 23.90 ? 115 ILE A O 1 ATOM 808 C CB . ILE A 1 107 ? 1.393 12.155 16.535 1.00 16.61 ? 115 ILE A CB 1 ATOM 809 C CG1 . ILE A 1 107 ? 1.526 10.865 15.725 1.00 18.19 ? 115 ILE A CG1 1 ATOM 810 C CG2 . ILE A 1 107 ? 2.380 12.192 17.703 1.00 18.16 ? 115 ILE A CG2 1 ATOM 811 C CD1 . ILE A 1 107 ? 2.884 10.639 15.087 1.00 20.22 ? 115 ILE A CD1 1 ATOM 812 N N . LYS A 1 108 ? -0.239 13.236 19.254 1.00 22.50 ? 116 LYS A N 1 ATOM 813 C CA . LYS A 1 108 ? -0.479 14.276 20.244 1.00 23.41 ? 116 LYS A CA 1 ATOM 814 C C . LYS A 1 108 ? 0.578 14.234 21.346 1.00 21.62 ? 116 LYS A C 1 ATOM 815 O O . LYS A 1 108 ? 1.184 13.187 21.591 1.00 22.16 ? 116 LYS A O 1 ATOM 816 C CB . LYS A 1 108 ? -1.876 14.112 20.857 1.00 29.28 ? 116 LYS A CB 1 ATOM 817 C CG . LYS A 1 108 ? -3.015 14.203 19.854 1.00 39.41 ? 116 LYS A CG 1 ATOM 818 C CD . LYS A 1 108 ? -4.336 13.798 20.496 1.00 47.53 ? 116 LYS A CD 1 ATOM 819 C CE . LYS A 1 108 ? -4.686 14.690 21.678 1.00 53.59 ? 116 LYS A CE 1 ATOM 820 N NZ . LYS A 1 108 ? -5.105 16.063 21.263 1.00 57.71 ? 116 LYS A NZ 1 ATOM 821 N N . ARG A 1 109 ? 0.803 15.372 21.997 1.00 22.77 ? 117 ARG A N 1 ATOM 822 C CA . ARG A 1 109 ? 1.652 15.424 23.182 1.00 23.51 ? 117 ARG A CA 1 ATOM 823 C C . ARG A 1 109 ? 0.993 14.649 24.302 1.00 28.64 ? 117 ARG A C 1 ATOM 824 O O . ARG A 1 109 ? -0.221 14.733 24.478 1.00 31.58 ? 117 ARG A O 1 ATOM 825 C CB . ARG A 1 109 ? 1.897 16.858 23.633 1.00 30.13 ? 117 ARG A CB 1 ATOM 826 C CG . ARG A 1 109 ? 2.685 17.684 22.659 1.00 33.46 ? 117 ARG A CG 1 ATOM 827 C CD . ARG A 1 109 ? 3.174 18.972 23.302 1.00 40.61 ? 117 ARG A CD 1 ATOM 828 N NE . ARG A 1 109 ? 3.999 19.734 22.374 1.00 43.76 ? 117 ARG A NE 1 ATOM 829 C CZ . ARG A 1 109 ? 4.924 20.613 22.736 1.00 43.72 ? 117 ARG A CZ 1 ATOM 830 N NH1 . ARG A 1 109 ? 5.149 20.860 24.023 1.00 44.89 ? 117 ARG A NH1 1 ATOM 831 N NH2 . ARG A 1 109 ? 5.625 21.241 21.800 1.00 45.06 ? 117 ARG A NH2 1 ATOM 832 N N . LYS A 1 110 ? 1.792 13.896 25.054 1.00 32.84 ? 118 LYS A N 1 ATOM 833 C CA . LYS A 1 110 ? 1.287 13.102 26.174 1.00 40.49 ? 118 LYS A CA 1 ATOM 834 C C . LYS A 1 110 ? 1.962 13.499 27.483 1.00 47.02 ? 118 LYS A C 1 ATOM 835 O O . LYS A 1 110 ? 3.044 14.088 27.485 1.00 52.17 ? 118 LYS A O 1 ATOM 836 C CB . LYS A 1 110 ? 1.493 11.608 25.918 1.00 44.02 ? 118 LYS A CB 1 ATOM 837 C CG . LYS A 1 110 ? 0.659 11.043 24.776 1.00 47.62 ? 118 LYS A CG 1 ATOM 838 C CD . LYS A 1 110 ? 0.741 9.519 24.725 1.00 50.29 ? 118 LYS A CD 1 ATOM 839 C CE . LYS A 1 110 ? -0.178 8.952 23.645 1.00 52.84 ? 118 LYS A CE 1 ATOM 840 N NZ . LYS A 1 110 ? -0.043 7.473 23.498 1.00 53.93 ? 118 LYS A NZ 1 ATOM 841 N N . HIS B 1 5 ? -0.555 -23.046 6.699 1.00 38.71 ? 13 HIS B N 1 ATOM 842 C CA . HIS B 1 5 ? -0.243 -24.016 7.744 1.00 39.85 ? 13 HIS B CA 1 ATOM 843 C C . HIS B 1 5 ? -1.241 -23.901 8.890 1.00 39.05 ? 13 HIS B C 1 ATOM 844 O O . HIS B 1 5 ? -1.913 -22.884 9.037 1.00 35.64 ? 13 HIS B O 1 ATOM 845 C CB . HIS B 1 5 ? 1.187 -23.818 8.264 1.00 38.10 ? 13 HIS B CB 1 ATOM 846 C CG . HIS B 1 5 ? 1.417 -22.480 8.902 1.00 39.30 ? 13 HIS B CG 1 ATOM 847 N ND1 . HIS B 1 5 ? 1.988 -21.423 8.227 1.00 42.31 ? 13 HIS B ND1 1 ATOM 848 C CD2 . HIS B 1 5 ? 1.144 -22.026 10.149 1.00 37.65 ? 13 HIS B CD2 1 ATOM 849 C CE1 . HIS B 1 5 ? 2.060 -20.376 9.030 1.00 40.74 ? 13 HIS B CE1 1 ATOM 850 N NE2 . HIS B 1 5 ? 1.553 -20.715 10.202 1.00 37.67 ? 13 HIS B NE2 1 ATOM 851 N N . HIS B 1 6 ? -1.343 -24.954 9.690 1.00 39.60 ? 14 HIS B N 1 ATOM 852 C CA . HIS B 1 6 ? -2.208 -24.960 10.867 1.00 37.25 ? 14 HIS B CA 1 ATOM 853 C C . HIS B 1 6 ? -1.727 -23.940 11.902 1.00 32.32 ? 14 HIS B C 1 ATOM 854 O O . HIS B 1 6 ? -0.537 -23.877 12.218 1.00 32.74 ? 14 HIS B O 1 ATOM 855 C CB . HIS B 1 6 ? -2.249 -26.373 11.470 1.00 42.52 ? 14 HIS B CB 1 ATOM 856 C CG . HIS B 1 6 ? -2.974 -26.460 12.776 1.00 45.53 ? 14 HIS B CG 1 ATOM 857 N ND1 . HIS B 1 6 ? -4.346 -26.566 12.862 1.00 48.19 ? 14 HIS B ND1 1 ATOM 858 C CD2 . HIS B 1 6 ? -2.515 -26.470 14.051 1.00 45.23 ? 14 HIS B CD2 1 ATOM 859 C CE1 . HIS B 1 6 ? -4.701 -26.629 14.133 1.00 48.65 ? 14 HIS B CE1 1 ATOM 860 N NE2 . HIS B 1 6 ? -3.609 -26.571 14.875 1.00 47.28 ? 14 HIS B NE2 1 ATOM 861 N N . VAL B 1 7 ? -2.638 -23.116 12.412 1.00 31.27 ? 15 VAL B N 1 ATOM 862 C CA . VAL B 1 7 ? -2.257 -22.124 13.415 1.00 27.28 ? 15 VAL B CA 1 ATOM 863 C C . VAL B 1 7 ? -2.086 -22.810 14.762 1.00 28.52 ? 15 VAL B C 1 ATOM 864 O O . VAL B 1 7 ? -3.006 -23.464 15.245 1.00 33.32 ? 15 VAL B O 1 ATOM 865 C CB . VAL B 1 7 ? -3.304 -20.990 13.548 1.00 27.68 ? 15 VAL B CB 1 ATOM 866 C CG1 . VAL B 1 7 ? -2.813 -19.926 14.530 1.00 28.70 ? 15 VAL B CG1 1 ATOM 867 C CG2 . VAL B 1 7 ? -3.601 -20.370 12.186 1.00 29.88 ? 15 VAL B CG2 1 ATOM 868 N N . PRO B 1 8 ? -0.898 -22.681 15.365 1.00 28.63 ? 16 PRO B N 1 ATOM 869 C CA . PRO B 1 8 ? -0.615 -23.277 16.675 1.00 31.27 ? 16 PRO B CA 1 ATOM 870 C C . PRO B 1 8 ? -1.686 -22.919 17.698 1.00 30.50 ? 16 PRO B C 1 ATOM 871 O O . PRO B 1 8 ? -2.066 -21.748 17.781 1.00 27.06 ? 16 PRO B O 1 ATOM 872 C CB . PRO B 1 8 ? 0.731 -22.659 17.060 1.00 32.62 ? 16 PRO B CB 1 ATOM 873 C CG . PRO B 1 8 ? 1.376 -22.323 15.759 1.00 31.30 ? 16 PRO B CG 1 ATOM 874 C CD . PRO B 1 8 ? 0.271 -21.982 14.801 1.00 28.80 ? 16 PRO B CD 1 ATOM 875 N N . ALA B 1 9 ? -2.165 -23.907 18.451 1.00 30.01 ? 17 ALA B N 1 ATOM 876 C CA . ALA B 1 9 ? -3.175 -23.658 19.478 1.00 30.50 ? 17 ALA B CA 1 ATOM 877 C C . ALA B 1 9 ? -2.702 -22.610 20.478 1.00 29.70 ? 17 ALA B C 1 ATOM 878 O O . ALA B 1 9 ? -3.516 -21.876 21.041 1.00 28.50 ? 17 ALA B O 1 ATOM 879 C CB . ALA B 1 9 ? -3.528 -24.942 20.202 1.00 33.07 ? 17 ALA B CB 1 ATOM 880 N N . PHE B 1 10 ? -1.392 -22.553 20.711 1.00 24.45 ? 18 PHE B N 1 ATOM 881 C CA . PHE B 1 10 ? -0.843 -21.550 21.616 1.00 21.10 ? 18 PHE B CA 1 ATOM 882 C C . PHE B 1 10 ? -1.323 -20.156 21.231 1.00 21.33 ? 18 PHE B C 1 ATOM 883 O O . PHE B 1 10 ? -1.818 -19.391 22.067 1.00 23.58 ? 18 PHE B O 1 ATOM 884 C CB . PHE B 1 10 ? 0.687 -21.557 21.621 1.00 22.26 ? 18 PHE B CB 1 ATOM 885 C CG . PHE B 1 10 ? 1.285 -20.457 22.457 1.00 23.22 ? 18 PHE B CG 1 ATOM 886 C CD1 . PHE B 1 10 ? 1.303 -20.554 23.839 1.00 23.74 ? 18 PHE B CD1 1 ATOM 887 C CD2 . PHE B 1 10 ? 1.800 -19.307 21.867 1.00 20.67 ? 18 PHE B CD2 1 ATOM 888 C CE1 . PHE B 1 10 ? 1.839 -19.548 24.617 1.00 21.50 ? 18 PHE B CE1 1 ATOM 889 C CE2 . PHE B 1 10 ? 2.343 -18.286 22.644 1.00 21.42 ? 18 PHE B CE2 1 ATOM 890 C CZ . PHE B 1 10 ? 2.354 -18.401 24.022 1.00 20.69 ? 18 PHE B CZ 1 ATOM 891 N N . LEU B 1 11 ? -1.177 -19.839 19.952 1.00 23.34 ? 19 LEU B N 1 ATOM 892 C CA . LEU B 1 11 ? -1.498 -18.494 19.472 1.00 21.20 ? 19 LEU B CA 1 ATOM 893 C C . LEU B 1 11 ? -3.001 -18.248 19.493 1.00 20.77 ? 19 LEU B C 1 ATOM 894 O O . LEU B 1 11 ? -3.452 -17.169 19.876 1.00 21.49 ? 19 LEU B O 1 ATOM 895 C CB . LEU B 1 11 ? -0.950 -18.290 18.059 1.00 22.35 ? 19 LEU B CB 1 ATOM 896 C CG . LEU B 1 11 ? 0.577 -18.340 17.938 1.00 23.80 ? 19 LEU B CG 1 ATOM 897 C CD1 . LEU B 1 11 ? 1.010 -18.252 16.479 1.00 25.08 ? 19 LEU B CD1 1 ATOM 898 C CD2 . LEU B 1 11 ? 1.219 -17.227 18.753 1.00 24.88 ? 19 LEU B CD2 1 ATOM 899 N N . THR B 1 12 ? -3.782 -19.244 19.086 1.00 21.97 ? 20 THR B N 1 ATOM 900 C CA . THR B 1 12 ? -5.233 -19.086 19.074 1.00 21.52 ? 20 THR B CA 1 ATOM 901 C C . THR B 1 12 ? -5.746 -18.880 20.490 1.00 25.01 ? 20 THR B C 1 ATOM 902 O O . THR B 1 12 ? -6.549 -17.985 20.740 1.00 24.81 ? 20 THR B O 1 ATOM 903 C CB . THR B 1 12 ? -5.926 -20.291 18.421 1.00 26.90 ? 20 THR B CB 1 ATOM 904 O OG1 . THR B 1 12 ? -5.518 -20.369 17.048 1.00 30.22 ? 20 THR B OG1 1 ATOM 905 C CG2 . THR B 1 12 ? -7.439 -20.129 18.487 1.00 27.56 ? 20 THR B CG2 1 ATOM 906 N N . LYS B 1 13 ? -5.265 -19.698 21.421 1.00 22.60 ? 21 LYS B N 1 ATOM 907 C CA . LYS B 1 13 ? -5.635 -19.557 22.829 1.00 24.29 ? 21 LYS B CA 1 ATOM 908 C C . LYS B 1 13 ? -5.241 -18.196 23.384 1.00 21.81 ? 21 LYS B C 1 ATOM 909 O O . LYS B 1 13 ? -6.031 -17.530 24.066 1.00 24.01 ? 21 LYS B O 1 ATOM 910 C CB . LYS B 1 13 ? -4.978 -20.655 23.666 1.00 26.80 ? 21 LYS B CB 1 ATOM 911 C CG . LYS B 1 13 ? -5.647 -21.994 23.515 1.00 30.38 ? 21 LYS B CG 1 ATOM 912 C CD . LYS B 1 13 ? -5.129 -22.982 24.562 1.00 32.95 ? 21 LYS B CD 1 ATOM 913 C CE . LYS B 1 13 ? -3.639 -23.233 24.397 1.00 32.51 ? 21 LYS B CE 1 ATOM 914 N NZ . LYS B 1 13 ? -3.157 -24.289 25.337 1.00 31.13 ? 21 LYS B NZ 1 ATOM 915 N N . LEU B 1 14 ? -4.014 -17.790 23.091 1.00 19.94 ? 22 LEU B N 1 ATOM 916 C CA . LEU B 1 14 ? -3.506 -16.506 23.544 1.00 19.41 ? 22 LEU B CA 1 ATOM 917 C C . LEU B 1 14 ? -4.366 -15.359 23.010 1.00 22.90 ? 22 LEU B C 1 ATOM 918 O O . LEU B 1 14 ? -4.737 -14.464 23.765 1.00 20.15 ? 22 LEU B O 1 ATOM 919 C CB . LEU B 1 14 ? -2.053 -16.320 23.110 1.00 20.93 ? 22 LEU B CB 1 ATOM 920 C CG . LEU B 1 14 ? -1.457 -14.966 23.494 1.00 20.75 ? 22 LEU B CG 1 ATOM 921 C CD1 . LEU B 1 14 ? -1.434 -14.816 25.008 1.00 22.41 ? 22 LEU B CD1 1 ATOM 922 C CD2 . LEU B 1 14 ? -0.086 -14.802 22.881 1.00 19.37 ? 22 LEU B CD2 1 ATOM 923 N N . TRP B 1 15 ? -4.690 -15.409 21.718 1.00 19.60 ? 23 TRP B N 1 ATOM 924 C CA . TRP B 1 15 ? -5.476 -14.351 21.078 1.00 18.71 ? 23 TRP B CA 1 ATOM 925 C C . TRP B 1 15 ? -6.879 -14.263 21.671 1.00 19.61 ? 23 TRP B C 1 ATOM 926 O O . TRP B 1 15 ? -7.403 -13.170 21.922 1.00 20.98 ? 23 TRP B O 1 ATOM 927 C CB . TRP B 1 15 ? -5.543 -14.575 19.561 1.00 18.91 ? 23 TRP B CB 1 ATOM 928 C CG . TRP B 1 15 ? -6.166 -13.421 18.811 1.00 18.06 ? 23 TRP B CG 1 ATOM 929 C CD1 . TRP B 1 15 ? -5.518 -12.369 18.233 1.00 20.12 ? 23 TRP B CD1 1 ATOM 930 C CD2 . TRP B 1 15 ? -7.562 -13.229 18.549 1.00 18.72 ? 23 TRP B CD2 1 ATOM 931 N NE1 . TRP B 1 15 ? -6.429 -11.522 17.637 1.00 20.98 ? 23 TRP B NE1 1 ATOM 932 C CE2 . TRP B 1 15 ? -7.691 -12.026 17.824 1.00 19.29 ? 23 TRP B CE2 1 ATOM 933 C CE3 . TRP B 1 15 ? -8.717 -13.952 18.868 1.00 20.93 ? 23 TRP B CE3 1 ATOM 934 C CZ2 . TRP B 1 15 ? -8.926 -11.533 17.406 1.00 21.97 ? 23 TRP B CZ2 1 ATOM 935 C CZ3 . TRP B 1 15 ? -9.944 -13.457 18.457 1.00 22.92 ? 23 TRP B CZ3 1 ATOM 936 C CH2 . TRP B 1 15 ? -10.039 -12.260 17.736 1.00 24.22 ? 23 TRP B CH2 1 ATOM 937 N N . THR B 1 16 ? -7.492 -15.419 21.915 1.00 20.01 ? 24 THR B N 1 ATOM 938 C CA . THR B 1 16 ? -8.828 -15.444 22.477 1.00 24.83 ? 24 THR B CA 1 ATOM 939 C C . THR B 1 16 ? -8.817 -14.910 23.908 1.00 26.28 ? 24 THR B C 1 ATOM 940 O O . THR B 1 16 ? -9.708 -14.169 24.314 1.00 27.48 ? 24 THR B O 1 ATOM 941 C CB . THR B 1 16 ? -9.388 -16.867 22.422 1.00 27.08 ? 24 THR B CB 1 ATOM 942 O OG1 . THR B 1 16 ? -9.441 -17.273 21.047 1.00 30.09 ? 24 THR B OG1 1 ATOM 943 C CG2 . THR B 1 16 ? -10.784 -16.933 23.032 1.00 28.75 ? 24 THR B CG2 1 ATOM 944 N N . LEU B 1 17 ? -7.783 -15.279 24.657 1.00 24.82 ? 25 LEU B N 1 ATOM 945 C CA . LEU B 1 17 ? -7.625 -14.836 26.036 1.00 23.63 ? 25 LEU B CA 1 ATOM 946 C C . LEU B 1 17 ? -7.436 -13.329 26.127 1.00 22.92 ? 25 LEU B C 1 ATOM 947 O O . LEU B 1 17 ? -8.061 -12.658 26.962 1.00 25.37 ? 25 LEU B O 1 ATOM 948 C CB . LEU B 1 17 ? -6.438 -15.553 26.674 1.00 28.14 ? 25 LEU B CB 1 ATOM 949 C CG . LEU B 1 17 ? -5.970 -15.091 28.050 1.00 31.65 ? 25 LEU B CG 1 ATOM 950 C CD1 . LEU B 1 17 ? -7.071 -15.242 29.070 1.00 32.17 ? 25 LEU B CD1 1 ATOM 951 C CD2 . LEU B 1 17 ? -4.733 -15.870 28.469 1.00 33.39 ? 25 LEU B CD2 1 ATOM 952 N N . VAL B 1 18 ? -6.569 -12.791 25.276 1.00 21.16 ? 26 VAL B N 1 ATOM 953 C CA . VAL B 1 18 ? -6.392 -11.342 25.230 1.00 20.95 ? 26 VAL B CA 1 ATOM 954 C C . VAL B 1 18 ? -7.707 -10.652 24.858 1.00 21.04 ? 26 VAL B C 1 ATOM 955 O O . VAL B 1 18 ? -8.074 -9.657 25.466 1.00 20.73 ? 26 VAL B O 1 ATOM 956 C CB . VAL B 1 18 ? -5.310 -10.910 24.225 1.00 18.27 ? 26 VAL B CB 1 ATOM 957 C CG1 . VAL B 1 18 ? -5.249 -9.351 24.124 1.00 17.11 ? 26 VAL B CG1 1 ATOM 958 C CG2 . VAL B 1 18 ? -3.944 -11.490 24.621 1.00 17.79 ? 26 VAL B CG2 1 ATOM 959 N N . SER B 1 19 ? -8.397 -11.191 23.857 1.00 21.08 ? 27 SER B N 1 ATOM 960 C CA . SER B 1 19 ? -9.591 -10.555 23.288 1.00 24.92 ? 27 SER B CA 1 ATOM 961 C C . SER B 1 19 ? -10.833 -10.648 24.171 1.00 27.50 ? 27 SER B C 1 ATOM 962 O O . SER B 1 19 ? -11.820 -9.955 23.926 1.00 27.18 ? 27 SER B O 1 ATOM 963 C CB . SER B 1 19 ? -9.903 -11.166 21.921 1.00 24.05 ? 27 SER B CB 1 ATOM 964 O OG . SER B 1 19 ? -8.843 -10.941 21.010 1.00 21.16 ? 27 SER B OG 1 ATOM 965 N N . ASP B 1 20 ? -10.792 -11.506 25.185 1.00 24.81 ? 28 ASP B N 1 ATOM 966 C CA . ASP B 1 20 ? -11.926 -11.639 26.095 1.00 29.80 ? 28 ASP B CA 1 ATOM 967 C C . ASP B 1 20 ? -11.963 -10.472 27.069 1.00 30.39 ? 28 ASP B C 1 ATOM 968 O O . ASP B 1 20 ? -11.053 -10.316 27.877 1.00 32.30 ? 28 ASP B O 1 ATOM 969 C CB . ASP B 1 20 ? -11.852 -12.957 26.865 1.00 28.71 ? 28 ASP B CB 1 ATOM 970 C CG . ASP B 1 20 ? -13.086 -13.196 27.740 1.00 34.50 ? 28 ASP B CG 1 ATOM 971 O OD1 . ASP B 1 20 ? -14.003 -12.350 27.744 1.00 36.97 ? 28 ASP B OD1 1 ATOM 972 O OD2 . ASP B 1 20 ? -13.139 -14.239 28.419 1.00 37.95 ? 28 ASP B OD2 1 ATOM 973 N N . PRO B 1 21 ? -13.024 -9.652 27.010 1.00 31.97 ? 29 PRO B N 1 ATOM 974 C CA . PRO B 1 21 ? -13.054 -8.484 27.893 1.00 35.40 ? 29 PRO B CA 1 ATOM 975 C C . PRO B 1 21 ? -13.056 -8.858 29.375 1.00 36.36 ? 29 PRO B C 1 ATOM 976 O O . PRO B 1 21 ? -12.665 -8.034 30.201 1.00 35.91 ? 29 PRO B O 1 ATOM 977 C CB . PRO B 1 21 ? -14.361 -7.775 27.502 1.00 38.68 ? 29 PRO B CB 1 ATOM 978 C CG . PRO B 1 21 ? -15.187 -8.831 26.829 1.00 41.06 ? 29 PRO B CG 1 ATOM 979 C CD . PRO B 1 21 ? -14.206 -9.726 26.136 1.00 33.43 ? 29 PRO B CD 1 ATOM 980 N N . ASP B 1 22 ? -13.473 -10.078 29.703 1.00 39.89 ? 30 ASP B N 1 ATOM 981 C CA . ASP B 1 22 ? -13.609 -10.487 31.104 1.00 41.53 ? 30 ASP B CA 1 ATOM 982 C C . ASP B 1 22 ? -12.283 -10.840 31.766 1.00 40.90 ? 30 ASP B C 1 ATOM 983 O O . ASP B 1 22 ? -12.219 -11.043 32.980 1.00 42.00 ? 30 ASP B O 1 ATOM 984 C CB . ASP B 1 22 ? -14.553 -11.678 31.216 1.00 46.75 ? 30 ASP B CB 1 ATOM 985 C CG . ASP B 1 22 ? -15.991 -11.297 30.969 1.00 51.58 ? 30 ASP B CG 1 ATOM 986 O OD1 . ASP B 1 22 ? -16.375 -10.161 31.334 1.00 48.50 ? 30 ASP B OD1 1 ATOM 987 O OD2 . ASP B 1 22 ? -16.733 -12.129 30.405 1.00 58.46 ? 30 ASP B OD2 1 ATOM 988 N N . THR B 1 23 ? -11.228 -10.929 30.966 1.00 32.97 ? 31 THR B N 1 ATOM 989 C CA . THR B 1 23 ? -9.905 -11.209 31.502 1.00 31.68 ? 31 THR B CA 1 ATOM 990 C C . THR B 1 23 ? -9.047 -9.949 31.519 1.00 28.32 ? 31 THR B C 1 ATOM 991 O O . THR B 1 23 ? -7.894 -9.990 31.930 1.00 28.56 ? 31 THR B O 1 ATOM 992 C CB . THR B 1 23 ? -9.177 -12.292 30.684 1.00 31.06 ? 31 THR B CB 1 ATOM 993 O OG1 . THR B 1 23 ? -8.998 -11.828 29.341 1.00 30.81 ? 31 THR B OG1 1 ATOM 994 C CG2 . THR B 1 23 ? -10.001 -13.572 30.665 1.00 33.24 ? 31 THR B CG2 1 ATOM 995 N N . ASP B 1 24 ? -9.622 -8.833 31.083 1.00 29.73 ? 32 ASP B N 1 ATOM 996 C CA . ASP B 1 24 ? -8.853 -7.606 30.866 1.00 27.06 ? 32 ASP B CA 1 ATOM 997 C C . ASP B 1 24 ? -8.148 -7.079 32.111 1.00 26.23 ? 32 ASP B C 1 ATOM 998 O O . ASP B 1 24 ? -7.212 -6.298 32.001 1.00 27.97 ? 32 ASP B O 1 ATOM 999 C CB . ASP B 1 24 ? -9.750 -6.505 30.303 1.00 30.11 ? 32 ASP B CB 1 ATOM 1000 C CG . ASP B 1 24 ? -10.060 -6.697 28.829 1.00 32.21 ? 32 ASP B CG 1 ATOM 1001 O OD1 . ASP B 1 24 ? -9.474 -7.613 28.216 1.00 32.24 ? 32 ASP B OD1 1 ATOM 1002 O OD2 . ASP B 1 24 ? -10.880 -5.927 28.282 1.00 35.86 ? 32 ASP B OD2 1 ATOM 1003 N N . ALA B 1 25 ? -8.598 -7.489 33.292 1.00 27.62 ? 33 ALA B N 1 ATOM 1004 C CA . ALA B 1 25 ? -7.905 -7.102 34.514 1.00 30.48 ? 33 ALA B CA 1 ATOM 1005 C C . ALA B 1 25 ? -6.493 -7.712 34.570 1.00 28.71 ? 33 ALA B C 1 ATOM 1006 O O . ALA B 1 25 ? -5.607 -7.168 35.222 1.00 28.27 ? 33 ALA B O 1 ATOM 1007 C CB . ALA B 1 25 ? -8.710 -7.507 35.737 1.00 37.64 ? 33 ALA B CB 1 ATOM 1008 N N . LEU B 1 26 ? -6.286 -8.834 33.882 1.00 25.44 ? 34 LEU B N 1 ATOM 1009 C CA . LEU B 1 26 ? -4.985 -9.507 33.883 1.00 22.31 ? 34 LEU B CA 1 ATOM 1010 C C . LEU B 1 26 ? -4.298 -9.523 32.517 1.00 20.10 ? 34 LEU B C 1 ATOM 1011 O O . LEU B 1 26 ? -3.077 -9.603 32.429 1.00 23.45 ? 34 LEU B O 1 ATOM 1012 C CB . LEU B 1 26 ? -5.130 -10.946 34.385 1.00 25.08 ? 34 LEU B CB 1 ATOM 1013 C CG . LEU B 1 26 ? -5.397 -11.097 35.885 1.00 30.57 ? 34 LEU B CG 1 ATOM 1014 C CD1 . LEU B 1 26 ? -5.600 -12.559 36.246 1.00 33.26 ? 34 LEU B CD1 1 ATOM 1015 C CD2 . LEU B 1 26 ? -4.246 -10.494 36.681 1.00 32.33 ? 34 LEU B CD2 1 ATOM 1016 N N . ILE B 1 27 ? -5.076 -9.464 31.447 1.00 22.44 ? 35 ILE B N 1 ATOM 1017 C CA . ILE B 1 27 ? -4.471 -9.478 30.125 1.00 22.20 ? 35 ILE B CA 1 ATOM 1018 C C . ILE B 1 27 ? -5.426 -8.852 29.120 1.00 23.50 ? 35 ILE B C 1 ATOM 1019 O O . ILE B 1 27 ? -6.585 -9.239 29.033 1.00 21.07 ? 35 ILE B O 1 ATOM 1020 C CB . ILE B 1 27 ? -4.082 -10.917 29.708 1.00 21.11 ? 35 ILE B CB 1 ATOM 1021 C CG1 . ILE B 1 27 ? -3.454 -10.918 28.312 1.00 21.74 ? 35 ILE B CG1 1 ATOM 1022 C CG2 . ILE B 1 27 ? -5.296 -11.857 29.807 1.00 23.76 ? 35 ILE B CG2 1 ATOM 1023 C CD1 . ILE B 1 27 ? -2.666 -12.174 27.976 1.00 22.82 ? 35 ILE B CD1 1 ATOM 1024 N N . CYS B 1 28 ? -4.942 -7.862 28.375 1.00 21.60 ? 36 CYS B N 1 ATOM 1025 C CA . CYS B 1 28 ? -5.823 -7.062 27.527 1.00 21.04 ? 36 CYS B CA 1 ATOM 1026 C C . CYS B 1 28 ? -5.082 -6.403 26.374 1.00 19.72 ? 36 CYS B C 1 ATOM 1027 O O . CYS B 1 28 ? -3.864 -6.248 26.415 1.00 20.99 ? 36 CYS B O 1 ATOM 1028 C CB . CYS B 1 28 ? -6.510 -5.982 28.354 1.00 24.84 ? 36 CYS B CB 1 ATOM 1029 S SG . CYS B 1 28 ? -5.407 -4.663 28.907 1.00 29.16 ? 36 CYS B SG 1 ATOM 1030 N N . TRP B 1 29 ? -5.837 -6.010 25.355 1.00 20.48 ? 37 TRP B N 1 ATOM 1031 C CA . TRP B 1 29 ? -5.300 -5.230 24.250 1.00 17.84 ? 37 TRP B CA 1 ATOM 1032 C C . TRP B 1 29 ? -4.919 -3.837 24.696 1.00 19.16 ? 37 TRP B C 1 ATOM 1033 O O . TRP B 1 29 ? -5.573 -3.238 25.551 1.00 19.93 ? 37 TRP B O 1 ATOM 1034 C CB . TRP B 1 29 ? -6.314 -5.107 23.105 1.00 19.58 ? 37 TRP B CB 1 ATOM 1035 C CG . TRP B 1 29 ? -6.600 -6.389 22.391 1.00 21.04 ? 37 TRP B CG 1 ATOM 1036 C CD1 . TRP B 1 29 ? -7.778 -7.084 22.394 1.00 22.11 ? 37 TRP B CD1 1 ATOM 1037 C CD2 . TRP B 1 29 ? -5.706 -7.112 21.542 1.00 18.42 ? 37 TRP B CD2 1 ATOM 1038 N NE1 . TRP B 1 29 ? -7.657 -8.209 21.611 1.00 19.24 ? 37 TRP B NE1 1 ATOM 1039 C CE2 . TRP B 1 29 ? -6.399 -8.249 21.080 1.00 18.54 ? 37 TRP B CE2 1 ATOM 1040 C CE3 . TRP B 1 29 ? -4.375 -6.919 21.143 1.00 18.48 ? 37 TRP B CE3 1 ATOM 1041 C CZ2 . TRP B 1 29 ? -5.808 -9.191 20.234 1.00 21.08 ? 37 TRP B CZ2 1 ATOM 1042 C CZ3 . TRP B 1 29 ? -3.789 -7.855 20.304 1.00 19.59 ? 37 TRP B CZ3 1 ATOM 1043 C CH2 . TRP B 1 29 ? -4.507 -8.979 19.856 1.00 17.11 ? 37 TRP B CH2 1 ATOM 1044 N N . SER B 1 30 ? -3.883 -3.297 24.076 1.00 20.06 ? 38 SER B N 1 ATOM 1045 C CA . SER B 1 30 ? -3.626 -1.873 24.192 1.00 19.91 ? 38 SER B CA 1 ATOM 1046 C C . SER B 1 30 ? -4.733 -1.099 23.463 1.00 21.53 ? 38 SER B C 1 ATOM 1047 O O . SER B 1 30 ? -5.479 -1.679 22.662 1.00 21.48 ? 38 SER B O 1 ATOM 1048 C CB . SER B 1 30 ? -2.262 -1.533 23.599 1.00 18.92 ? 38 SER B CB 1 ATOM 1049 O OG . SER B 1 30 ? -2.280 -1.779 22.210 1.00 19.17 ? 38 SER B OG 1 ATOM 1050 N N . PRO B 1 31 ? -4.851 0.208 23.730 1.00 21.56 ? 39 PRO B N 1 ATOM 1051 C CA . PRO B 1 31 ? -5.924 0.972 23.082 1.00 20.19 ? 39 PRO B CA 1 ATOM 1052 C C . PRO B 1 31 ? -5.880 0.899 21.555 1.00 21.82 ? 39 PRO B C 1 ATOM 1053 O O . PRO B 1 31 ? -6.934 0.833 20.923 1.00 22.02 ? 39 PRO B O 1 ATOM 1054 C CB . PRO B 1 31 ? -5.674 2.406 23.574 1.00 27.85 ? 39 PRO B CB 1 ATOM 1055 C CG . PRO B 1 31 ? -5.027 2.220 24.916 1.00 26.43 ? 39 PRO B CG 1 ATOM 1056 C CD . PRO B 1 31 ? -4.150 0.998 24.762 1.00 22.55 ? 39 PRO B CD 1 ATOM 1057 N N . SER B 1 32 ? -4.681 0.869 20.975 1.00 20.68 ? 40 SER B N 1 ATOM 1058 C CA . SER B 1 32 ? -4.540 0.828 19.525 1.00 20.70 ? 40 SER B CA 1 ATOM 1059 C C . SER B 1 32 ? -4.880 -0.536 18.946 1.00 20.77 ? 40 SER B C 1 ATOM 1060 O O . SER B 1 32 ? -5.114 -0.658 17.747 1.00 20.50 ? 40 SER B O 1 ATOM 1061 C CB . SER B 1 32 ? -3.113 1.184 19.126 1.00 24.59 ? 40 SER B CB 1 ATOM 1062 O OG . SER B 1 32 ? -2.255 0.085 19.373 1.00 26.40 ? 40 SER B OG 1 ATOM 1063 N N . GLY B 1 33 ? -4.883 -1.559 19.800 1.00 19.03 ? 41 GLY B N 1 ATOM 1064 C CA . GLY B 1 33 ? -5.069 -2.924 19.359 1.00 18.91 ? 41 GLY B CA 1 ATOM 1065 C C . GLY B 1 33 ? -3.824 -3.594 18.791 1.00 17.65 ? 41 GLY B C 1 ATOM 1066 O O . GLY B 1 33 ? -3.912 -4.708 18.270 1.00 18.32 ? 41 GLY B O 1 ATOM 1067 N N . ASN B 1 34 ? -2.676 -2.918 18.877 1.00 15.73 ? 42 ASN B N 1 ATOM 1068 C CA . ASN B 1 34 ? -1.437 -3.423 18.270 1.00 15.16 ? 42 ASN B CA 1 ATOM 1069 C C . ASN B 1 34 ? -0.580 -4.228 19.217 1.00 16.79 ? 42 ASN B C 1 ATOM 1070 O O . ASN B 1 34 ? 0.383 -4.854 18.782 1.00 18.40 ? 42 ASN B O 1 ATOM 1071 C CB . ASN B 1 34 ? -0.550 -2.278 17.752 1.00 15.49 ? 42 ASN B CB 1 ATOM 1072 C CG . ASN B 1 34 ? -1.190 -1.476 16.645 1.00 28.02 ? 42 ASN B CG 1 ATOM 1073 O OD1 . ASN B 1 34 ? -2.117 -1.933 15.981 1.00 29.81 ? 42 ASN B OD1 1 ATOM 1074 N ND2 . ASN B 1 34 ? -0.667 -0.274 16.415 1.00 29.39 ? 42 ASN B ND2 1 ATOM 1075 N N . SER B 1 35 ? -0.890 -4.166 20.508 1.00 17.24 ? 43 SER B N 1 ATOM 1076 C CA . SER B 1 35 ? -0.081 -4.821 21.534 1.00 18.60 ? 43 SER B CA 1 ATOM 1077 C C . SER B 1 35 ? -0.992 -5.347 22.621 1.00 19.93 ? 43 SER B C 1 ATOM 1078 O O . SER B 1 35 ? -2.172 -4.998 22.660 1.00 18.30 ? 43 SER B O 1 ATOM 1079 C CB . SER B 1 35 ? 0.937 -3.836 22.136 1.00 17.96 ? 43 SER B CB 1 ATOM 1080 O OG . SER B 1 35 ? 1.540 -3.017 21.150 1.00 21.85 ? 43 SER B OG 1 ATOM 1081 N N . PHE B 1 36 ? -0.460 -6.176 23.512 1.00 16.48 ? 44 PHE B N 1 ATOM 1082 C CA . PHE B 1 36 ? -1.247 -6.585 24.666 1.00 19.11 ? 44 PHE B CA 1 ATOM 1083 C C . PHE B 1 36 ? -0.448 -6.484 25.959 1.00 18.76 ? 44 PHE B C 1 ATOM 1084 O O . PHE B 1 36 ? 0.781 -6.544 25.959 1.00 17.90 ? 44 PHE B O 1 ATOM 1085 C CB . PHE B 1 36 ? -1.814 -8.001 24.471 1.00 20.98 ? 44 PHE B CB 1 ATOM 1086 C CG . PHE B 1 36 ? -0.793 -9.101 24.538 1.00 18.50 ? 44 PHE B CG 1 ATOM 1087 C CD1 . PHE B 1 36 ? -0.068 -9.472 23.416 1.00 21.82 ? 44 PHE B CD1 1 ATOM 1088 C CD2 . PHE B 1 36 ? -0.596 -9.793 25.719 1.00 16.59 ? 44 PHE B CD2 1 ATOM 1089 C CE1 . PHE B 1 36 ? 0.851 -10.513 23.479 1.00 19.73 ? 44 PHE B CE1 1 ATOM 1090 C CE2 . PHE B 1 36 ? 0.329 -10.836 25.789 1.00 21.08 ? 44 PHE B CE2 1 ATOM 1091 C CZ . PHE B 1 36 ? 1.049 -11.192 24.660 1.00 20.38 ? 44 PHE B CZ 1 ATOM 1092 N N . HIS B 1 37 ? -1.168 -6.263 27.051 1.00 17.76 ? 45 HIS B N 1 ATOM 1093 C CA . HIS B 1 37 ? -0.583 -6.120 28.380 1.00 17.89 ? 45 HIS B CA 1 ATOM 1094 C C . HIS B 1 37 ? -0.813 -7.362 29.224 1.00 17.80 ? 45 HIS B C 1 ATOM 1095 O O . HIS B 1 37 ? -1.898 -7.923 29.195 1.00 19.99 ? 45 HIS B O 1 ATOM 1096 C CB . HIS B 1 37 ? -1.202 -4.928 29.106 1.00 17.67 ? 45 HIS B CB 1 ATOM 1097 C CG . HIS B 1 37 ? -0.862 -3.603 28.495 1.00 21.45 ? 45 HIS B CG 1 ATOM 1098 N ND1 . HIS B 1 37 ? 0.185 -2.830 28.942 1.00 25.04 ? 45 HIS B ND1 1 ATOM 1099 C CD2 . HIS B 1 37 ? -1.442 -2.909 27.485 1.00 28.14 ? 45 HIS B CD2 1 ATOM 1100 C CE1 . HIS B 1 37 ? 0.235 -1.709 28.237 1.00 25.25 ? 45 HIS B CE1 1 ATOM 1101 N NE2 . HIS B 1 37 ? -0.736 -1.736 27.342 1.00 27.70 ? 45 HIS B NE2 1 ATOM 1102 N N . VAL B 1 38 ? 0.195 -7.741 30.001 1.00 18.51 ? 46 VAL B N 1 ATOM 1103 C CA . VAL B 1 38 ? 0.041 -8.725 31.060 1.00 18.58 ? 46 VAL B CA 1 ATOM 1104 C C . VAL B 1 38 ? 0.260 -8.035 32.403 1.00 20.25 ? 46 VAL B C 1 ATOM 1105 O O . VAL B 1 38 ? 1.311 -7.431 32.630 1.00 23.17 ? 46 VAL B O 1 ATOM 1106 C CB . VAL B 1 38 ? 1.032 -9.894 30.900 1.00 20.36 ? 46 VAL B CB 1 ATOM 1107 C CG1 . VAL B 1 38 ? 0.913 -10.873 32.078 1.00 21.03 ? 46 VAL B CG1 1 ATOM 1108 C CG2 . VAL B 1 38 ? 0.805 -10.604 29.570 1.00 20.86 ? 46 VAL B CG2 1 ATOM 1109 N N . PHE B 1 39 ? -0.731 -8.115 33.284 1.00 21.07 ? 47 PHE B N 1 ATOM 1110 C CA . PHE B 1 39 ? -0.632 -7.487 34.597 1.00 24.48 ? 47 PHE B CA 1 ATOM 1111 C C . PHE B 1 39 ? -0.425 -8.515 35.694 1.00 28.75 ? 47 PHE B C 1 ATOM 1112 O O . PHE B 1 39 ? -0.830 -9.665 35.542 1.00 30.95 ? 47 PHE B O 1 ATOM 1113 C CB . PHE B 1 39 ? -1.897 -6.689 34.912 1.00 26.94 ? 47 PHE B CB 1 ATOM 1114 C CG . PHE B 1 39 ? -2.223 -5.632 33.903 1.00 26.19 ? 47 PHE B CG 1 ATOM 1115 C CD1 . PHE B 1 39 ? -1.474 -4.472 33.831 1.00 27.75 ? 47 PHE B CD1 1 ATOM 1116 C CD2 . PHE B 1 39 ? -3.309 -5.779 33.053 1.00 28.74 ? 47 PHE B CD2 1 ATOM 1117 C CE1 . PHE B 1 39 ? -1.781 -3.489 32.913 1.00 29.22 ? 47 PHE B CE1 1 ATOM 1118 C CE2 . PHE B 1 39 ? -3.626 -4.790 32.130 1.00 27.92 ? 47 PHE B CE2 1 ATOM 1119 C CZ . PHE B 1 39 ? -2.862 -3.648 32.064 1.00 29.79 ? 47 PHE B CZ 1 ATOM 1120 N N . ASP B 1 40 ? 0.194 -8.088 36.794 1.00 28.43 ? 48 ASP B N 1 ATOM 1121 C CA . ASP B 1 40 ? 0.222 -8.867 38.033 1.00 27.33 ? 48 ASP B CA 1 ATOM 1122 C C . ASP B 1 40 ? 0.575 -10.325 37.795 1.00 23.99 ? 48 ASP B C 1 ATOM 1123 O O . ASP B 1 40 ? -0.262 -11.211 37.949 1.00 25.01 ? 48 ASP B O 1 ATOM 1124 C CB . ASP B 1 40 ? -1.129 -8.773 38.745 1.00 32.50 ? 48 ASP B CB 1 ATOM 1125 C CG . ASP B 1 40 ? -1.457 -7.358 39.182 1.00 38.26 ? 48 ASP B CG 1 ATOM 1126 O OD1 . ASP B 1 40 ? -0.512 -6.552 39.336 1.00 39.97 ? 48 ASP B OD1 1 ATOM 1127 O OD2 . ASP B 1 40 ? -2.654 -7.048 39.380 1.00 42.92 ? 48 ASP B OD2 1 ATOM 1128 N N . GLN B 1 41 ? 1.821 -10.567 37.423 1.00 25.65 ? 49 GLN B N 1 ATOM 1129 C CA . GLN B 1 41 ? 2.219 -11.887 36.968 1.00 22.63 ? 49 GLN B CA 1 ATOM 1130 C C . GLN B 1 41 ? 2.132 -12.929 38.068 1.00 26.15 ? 49 GLN B C 1 ATOM 1131 O O . GLN B 1 41 ? 1.987 -14.111 37.784 1.00 28.00 ? 49 GLN B O 1 ATOM 1132 C CB . GLN B 1 41 ? 3.627 -11.837 36.397 1.00 20.41 ? 49 GLN B CB 1 ATOM 1133 C CG . GLN B 1 41 ? 3.672 -11.231 35.029 1.00 20.09 ? 49 GLN B CG 1 ATOM 1134 C CD . GLN B 1 41 ? 5.053 -11.294 34.438 1.00 23.29 ? 49 GLN B CD 1 ATOM 1135 O OE1 . GLN B 1 41 ? 5.837 -12.189 34.763 1.00 23.68 ? 49 GLN B OE1 1 ATOM 1136 N NE2 . GLN B 1 41 ? 5.372 -10.335 33.575 1.00 20.82 ? 49 GLN B NE2 1 ATOM 1137 N N . GLY B 1 42 ? 2.217 -12.492 39.321 1.00 28.17 ? 50 GLY B N 1 ATOM 1138 C CA . GLY B 1 42 ? 2.040 -13.393 40.443 1.00 29.45 ? 50 GLY B CA 1 ATOM 1139 C C . GLY B 1 42 ? 0.651 -13.999 40.391 1.00 31.11 ? 50 GLY B C 1 ATOM 1140 O O . GLY B 1 42 ? 0.467 -15.190 40.626 1.00 32.04 ? 50 GLY B O 1 ATOM 1141 N N . GLN B 1 43 ? -0.327 -13.168 40.049 1.00 28.21 ? 51 GLN B N 1 ATOM 1142 C CA . GLN B 1 43 ? -1.716 -13.607 39.953 1.00 29.92 ? 51 GLN B CA 1 ATOM 1143 C C . GLN B 1 43 ? -1.995 -14.308 38.621 1.00 29.22 ? 51 GLN B C 1 ATOM 1144 O O . GLN B 1 43 ? -2.721 -15.300 38.570 1.00 30.13 ? 51 GLN B O 1 ATOM 1145 C CB . GLN B 1 43 ? -2.657 -12.411 40.128 1.00 33.32 ? 51 GLN B CB 1 ATOM 1146 C CG . GLN B 1 43 ? -4.079 -12.784 40.465 1.00 42.84 ? 51 GLN B CG 1 ATOM 1147 C CD . GLN B 1 43 ? -4.188 -13.463 41.815 1.00 49.71 ? 51 GLN B CD 1 ATOM 1148 O OE1 . GLN B 1 43 ? -3.262 -13.406 42.627 1.00 51.11 ? 51 GLN B OE1 1 ATOM 1149 N NE2 . GLN B 1 43 ? -5.319 -14.114 42.063 1.00 53.12 ? 51 GLN B NE2 1 ATOM 1150 N N . PHE B 1 44 ? -1.425 -13.777 37.544 1.00 27.67 ? 52 PHE B N 1 ATOM 1151 C CA . PHE B 1 44 ? -1.591 -14.340 36.199 1.00 26.85 ? 52 PHE B CA 1 ATOM 1152 C C . PHE B 1 44 ? -1.171 -15.810 36.170 1.00 28.36 ? 52 PHE B C 1 ATOM 1153 O O . PHE B 1 44 ? -1.839 -16.654 35.566 1.00 26.63 ? 52 PHE B O 1 ATOM 1154 C CB . PHE B 1 44 ? -0.771 -13.522 35.178 1.00 27.95 ? 52 PHE B CB 1 ATOM 1155 C CG . PHE B 1 44 ? -0.922 -13.972 33.741 1.00 25.38 ? 52 PHE B CG 1 ATOM 1156 C CD1 . PHE B 1 44 ? -1.909 -13.441 32.933 1.00 24.89 ? 52 PHE B CD1 1 ATOM 1157 C CD2 . PHE B 1 44 ? -0.054 -14.892 33.192 1.00 25.59 ? 52 PHE B CD2 1 ATOM 1158 C CE1 . PHE B 1 44 ? -2.044 -13.844 31.617 1.00 28.53 ? 52 PHE B CE1 1 ATOM 1159 C CE2 . PHE B 1 44 ? -0.177 -15.293 31.879 1.00 24.35 ? 52 PHE B CE2 1 ATOM 1160 C CZ . PHE B 1 44 ? -1.172 -14.767 31.086 1.00 26.38 ? 52 PHE B CZ 1 ATOM 1161 N N . ALA B 1 45 ? -0.069 -16.116 36.847 1.00 27.85 ? 53 ALA B N 1 ATOM 1162 C CA . ALA B 1 45 ? 0.453 -17.476 36.856 1.00 26.91 ? 53 ALA B CA 1 ATOM 1163 C C . ALA B 1 45 ? -0.431 -18.432 37.648 1.00 31.20 ? 53 ALA B C 1 ATOM 1164 O O . ALA B 1 45 ? -0.509 -19.613 37.328 1.00 33.58 ? 53 ALA B O 1 ATOM 1165 C CB . ALA B 1 45 ? 1.882 -17.487 37.407 1.00 31.36 ? 53 ALA B CB 1 ATOM 1166 N N . LYS B 1 46 ? -1.099 -17.923 38.679 1.00 30.95 ? 54 LYS B N 1 ATOM 1167 C CA . LYS B 1 46 ? -1.968 -18.749 39.514 1.00 37.03 ? 54 LYS B CA 1 ATOM 1168 C C . LYS B 1 46 ? -3.349 -18.962 38.900 1.00 38.24 ? 54 LYS B C 1 ATOM 1169 O O . LYS B 1 46 ? -3.938 -20.027 39.045 1.00 41.35 ? 54 LYS B O 1 ATOM 1170 C CB . LYS B 1 46 ? -2.122 -18.119 40.897 1.00 43.58 ? 54 LYS B CB 1 ATOM 1171 C CG . LYS B 1 46 ? -0.801 -17.793 41.554 1.00 49.68 ? 54 LYS B CG 1 ATOM 1172 C CD . LYS B 1 46 ? -0.976 -16.833 42.716 1.00 54.96 ? 54 LYS B CD 1 ATOM 1173 C CE . LYS B 1 46 ? -1.783 -17.445 43.837 1.00 56.15 ? 54 LYS B CE 1 ATOM 1174 N NZ . LYS B 1 46 ? -1.696 -16.590 45.052 1.00 57.60 ? 54 LYS B NZ 1 ATOM 1175 N N . GLU B 1 47 ? -3.865 -17.944 38.215 1.00 35.70 ? 55 GLU B N 1 ATOM 1176 C CA . GLU B 1 47 ? -5.241 -17.983 37.726 1.00 39.48 ? 55 GLU B CA 1 ATOM 1177 C C . GLU B 1 47 ? -5.359 -18.396 36.269 1.00 38.65 ? 55 GLU B C 1 ATOM 1178 O O . GLU B 1 47 ? -6.251 -19.159 35.900 1.00 39.78 ? 55 GLU B O 1 ATOM 1179 C CB . GLU B 1 47 ? -5.910 -16.617 37.899 1.00 42.94 ? 55 GLU B CB 1 ATOM 1180 C CG . GLU B 1 47 ? -6.088 -16.174 39.333 1.00 49.64 ? 55 GLU B CG 1 ATOM 1181 C CD . GLU B 1 47 ? -6.970 -14.939 39.450 1.00 56.80 ? 55 GLU B CD 1 ATOM 1182 O OE1 . GLU B 1 47 ? -7.788 -14.693 38.535 1.00 57.98 ? 55 GLU B OE1 1 ATOM 1183 O OE2 . GLU B 1 47 ? -6.844 -14.211 40.457 1.00 60.74 ? 55 GLU B OE2 1 ATOM 1184 N N . VAL B 1 48 ? -4.469 -17.871 35.438 1.00 29.97 ? 56 VAL B N 1 ATOM 1185 C CA . VAL B 1 48 ? -4.613 -18.005 33.996 1.00 29.09 ? 56 VAL B CA 1 ATOM 1186 C C . VAL B 1 48 ? -3.852 -19.193 33.412 1.00 29.01 ? 56 VAL B C 1 ATOM 1187 O O . VAL B 1 48 ? -4.444 -20.032 32.736 1.00 28.59 ? 56 VAL B O 1 ATOM 1188 C CB . VAL B 1 48 ? -4.152 -16.715 33.285 1.00 32.63 ? 56 VAL B CB 1 ATOM 1189 C CG1 . VAL B 1 48 ? -4.174 -16.902 31.780 1.00 30.46 ? 56 VAL B CG1 1 ATOM 1190 C CG2 . VAL B 1 48 ? -5.033 -15.552 33.699 1.00 34.46 ? 56 VAL B CG2 1 ATOM 1191 N N . LEU B 1 49 ? -2.549 -19.269 33.669 1.00 29.79 ? 57 LEU B N 1 ATOM 1192 C CA . LEU B 1 49 ? -1.713 -20.323 33.094 1.00 28.52 ? 57 LEU B CA 1 ATOM 1193 C C . LEU B 1 49 ? -2.213 -21.740 33.327 1.00 31.01 ? 57 LEU B C 1 ATOM 1194 O O . LEU B 1 49 ? -2.189 -22.551 32.407 1.00 33.89 ? 57 LEU B O 1 ATOM 1195 C CB . LEU B 1 49 ? -0.278 -20.221 33.628 1.00 31.60 ? 57 LEU B CB 1 ATOM 1196 C CG . LEU B 1 49 ? 0.524 -19.023 33.136 1.00 28.17 ? 57 LEU B CG 1 ATOM 1197 C CD1 . LEU B 1 49 ? 1.965 -19.135 33.610 1.00 30.92 ? 57 LEU B CD1 1 ATOM 1198 C CD2 . LEU B 1 49 ? 0.452 -18.921 31.622 1.00 25.96 ? 57 LEU B CD2 1 ATOM 1199 N N . PRO B 1 50 ? -2.651 -22.051 34.561 1.00 33.27 ? 58 PRO B N 1 ATOM 1200 C CA . PRO B 1 50 ? -3.122 -23.406 34.879 1.00 33.58 ? 58 PRO B CA 1 ATOM 1201 C C . PRO B 1 50 ? -4.332 -23.828 34.064 1.00 36.10 ? 58 PRO B C 1 ATOM 1202 O O . PRO B 1 50 ? -4.570 -25.022 33.889 1.00 42.07 ? 58 PRO B O 1 ATOM 1203 C CB . PRO B 1 50 ? -3.484 -23.311 36.363 1.00 37.94 ? 58 PRO B CB 1 ATOM 1204 C CG . PRO B 1 50 ? -2.645 -22.194 36.879 1.00 39.43 ? 58 PRO B CG 1 ATOM 1205 C CD . PRO B 1 50 ? -2.599 -21.198 35.762 1.00 35.54 ? 58 PRO B CD 1 ATOM 1206 N N . LYS B 1 51 ? -5.100 -22.863 33.574 1.00 34.38 ? 59 LYS B N 1 ATOM 1207 C CA . LYS B 1 51 ? -6.300 -23.201 32.830 1.00 34.85 ? 59 LYS B CA 1 ATOM 1208 C C . LYS B 1 51 ? -6.091 -23.171 31.315 1.00 33.94 ? 59 LYS B C 1 ATOM 1209 O O . LYS B 1 51 ? -6.695 -23.966 30.593 1.00 41.08 ? 59 LYS B O 1 ATOM 1210 C CB . LYS B 1 51 ? -7.442 -22.270 33.240 1.00 39.25 ? 59 LYS B CB 1 ATOM 1211 C CG . LYS B 1 51 ? -7.950 -22.581 34.642 1.00 45.81 ? 59 LYS B CG 1 ATOM 1212 C CD . LYS B 1 51 ? -9.273 -21.911 34.950 1.00 49.50 ? 59 LYS B CD 1 ATOM 1213 C CE . LYS B 1 51 ? -9.077 -20.456 35.341 1.00 52.21 ? 59 LYS B CE 1 ATOM 1214 N NZ . LYS B 1 51 ? -10.267 -19.947 36.081 1.00 53.40 ? 59 LYS B NZ 1 ATOM 1215 N N . TYR B 1 52 ? -5.226 -22.285 30.829 1.00 31.61 ? 60 TYR B N 1 ATOM 1216 C CA . TYR B 1 52 ? -5.096 -22.111 29.385 1.00 32.20 ? 60 TYR B CA 1 ATOM 1217 C C . TYR B 1 52 ? -3.760 -22.565 28.810 1.00 31.87 ? 60 TYR B C 1 ATOM 1218 O O . TYR B 1 52 ? -3.656 -22.820 27.612 1.00 32.53 ? 60 TYR B O 1 ATOM 1219 C CB . TYR B 1 52 ? -5.347 -20.651 29.026 1.00 31.43 ? 60 TYR B CB 1 ATOM 1220 C CG . TYR B 1 52 ? -6.718 -20.195 29.472 1.00 36.29 ? 60 TYR B CG 1 ATOM 1221 C CD1 . TYR B 1 52 ? -7.863 -20.770 28.940 1.00 41.45 ? 60 TYR B CD1 1 ATOM 1222 C CD2 . TYR B 1 52 ? -6.866 -19.211 30.440 1.00 36.89 ? 60 TYR B CD2 1 ATOM 1223 C CE1 . TYR B 1 52 ? -9.115 -20.368 29.348 1.00 44.50 ? 60 TYR B CE1 1 ATOM 1224 C CE2 . TYR B 1 52 ? -8.118 -18.798 30.852 1.00 40.39 ? 60 TYR B CE2 1 ATOM 1225 C CZ . TYR B 1 52 ? -9.236 -19.381 30.303 1.00 46.04 ? 60 TYR B CZ 1 ATOM 1226 O OH . TYR B 1 52 ? -10.487 -18.981 30.712 1.00 53.00 ? 60 TYR B OH 1 ATOM 1227 N N . PHE B 1 53 ? -2.745 -22.664 29.659 1.00 22.45 ? 61 PHE B N 1 ATOM 1228 C CA . PHE B 1 53 ? -1.427 -23.112 29.226 1.00 25.33 ? 61 PHE B CA 1 ATOM 1229 C C . PHE B 1 53 ? -0.877 -24.065 30.276 1.00 22.87 ? 61 PHE B C 1 ATOM 1230 O O . PHE B 1 53 ? 0.021 -23.720 31.044 1.00 23.76 ? 61 PHE B O 1 ATOM 1231 C CB . PHE B 1 53 ? -0.486 -21.920 29.005 1.00 24.82 ? 61 PHE B CB 1 ATOM 1232 C CG . PHE B 1 53 ? -1.039 -20.889 28.049 1.00 24.85 ? 61 PHE B CG 1 ATOM 1233 C CD1 . PHE B 1 53 ? -0.930 -21.067 26.679 1.00 24.49 ? 61 PHE B CD1 1 ATOM 1234 C CD2 . PHE B 1 53 ? -1.689 -19.760 28.525 1.00 26.21 ? 61 PHE B CD2 1 ATOM 1235 C CE1 . PHE B 1 53 ? -1.450 -20.129 25.797 1.00 25.10 ? 61 PHE B CE1 1 ATOM 1236 C CE2 . PHE B 1 53 ? -2.211 -18.818 27.643 1.00 24.40 ? 61 PHE B CE2 1 ATOM 1237 C CZ . PHE B 1 53 ? -2.091 -19.007 26.285 1.00 21.66 ? 61 PHE B CZ 1 ATOM 1238 N N . LYS B 1 54 ? -1.426 -25.270 30.296 1.00 23.83 ? 62 LYS B N 1 ATOM 1239 C CA . LYS B 1 54 ? -1.200 -26.193 31.401 1.00 23.56 ? 62 LYS B CA 1 ATOM 1240 C C . LYS B 1 54 ? 0.269 -26.537 31.580 1.00 22.88 ? 62 LYS B C 1 ATOM 1241 O O . LYS B 1 54 ? 0.986 -26.738 30.607 1.00 22.88 ? 62 LYS B O 1 ATOM 1242 C CB . LYS B 1 54 ? -2.021 -27.467 31.195 1.00 26.54 ? 62 LYS B CB 1 ATOM 1243 C CG . LYS B 1 54 ? -3.516 -27.234 31.307 1.00 28.93 ? 62 LYS B CG 1 ATOM 1244 C CD . LYS B 1 54 ? -4.295 -28.526 31.156 1.00 30.36 ? 62 LYS B CD 1 ATOM 1245 C CE . LYS B 1 54 ? -5.785 -28.268 31.233 1.00 32.53 ? 62 LYS B CE 1 ATOM 1246 N NZ . LYS B 1 54 ? -6.541 -29.549 31.262 1.00 35.68 ? 62 LYS B NZ 1 ATOM 1247 N N . HIS B 1 55 ? 0.698 -26.570 32.840 1.00 21.37 ? 63 HIS B N 1 ATOM 1248 C CA . HIS B 1 55 ? 2.046 -26.971 33.213 1.00 23.45 ? 63 HIS B CA 1 ATOM 1249 C C . HIS B 1 55 ? 3.084 -25.936 32.794 1.00 24.72 ? 63 HIS B C 1 ATOM 1250 O O . HIS B 1 55 ? 4.232 -26.280 32.540 1.00 25.37 ? 63 HIS B O 1 ATOM 1251 C CB . HIS B 1 55 ? 2.402 -28.327 32.598 1.00 21.69 ? 63 HIS B CB 1 ATOM 1252 C CG . HIS B 1 55 ? 1.312 -29.349 32.709 1.00 23.04 ? 63 HIS B CG 1 ATOM 1253 N ND1 . HIS B 1 55 ? 0.522 -29.489 33.828 1.00 27.56 ? 63 HIS B ND1 1 ATOM 1254 C CD2 . HIS B 1 55 ? 0.875 -30.268 31.820 1.00 21.94 ? 63 HIS B CD2 1 ATOM 1255 C CE1 . HIS B 1 55 ? -0.348 -30.467 33.631 1.00 24.87 ? 63 HIS B CE1 1 ATOM 1256 N NE2 . HIS B 1 55 ? -0.153 -30.957 32.421 1.00 27.48 ? 63 HIS B NE2 1 ATOM 1257 N N . ASN B 1 56 ? 2.669 -24.677 32.726 1.00 23.04 ? 64 ASN B N 1 ATOM 1258 C CA . ASN B 1 56 ? 3.589 -23.577 32.451 1.00 23.60 ? 64 ASN B CA 1 ATOM 1259 C C . ASN B 1 56 ? 3.826 -22.685 33.666 1.00 26.13 ? 64 ASN B C 1 ATOM 1260 O O . ASN B 1 56 ? 2.988 -22.600 34.567 1.00 27.18 ? 64 ASN B O 1 ATOM 1261 C CB . ASN B 1 56 ? 3.055 -22.721 31.294 1.00 23.02 ? 64 ASN B CB 1 ATOM 1262 C CG . ASN B 1 56 ? 3.339 -23.336 29.935 1.00 21.67 ? 64 ASN B CG 1 ATOM 1263 O OD1 . ASN B 1 56 ? 4.372 -23.062 29.324 1.00 23.06 ? 64 ASN B OD1 1 ATOM 1264 N ND2 . ASN B 1 56 ? 2.438 -24.196 29.469 1.00 21.95 ? 64 ASN B ND2 1 ATOM 1265 N N . ASN B 1 57 ? 4.974 -22.015 33.683 1.00 23.01 ? 65 ASN B N 1 ATOM 1266 C CA . ASN B 1 57 ? 5.161 -20.875 34.569 1.00 23.56 ? 65 ASN B CA 1 ATOM 1267 C C . ASN B 1 57 ? 5.367 -19.635 33.703 1.00 21.79 ? 65 ASN B C 1 ATOM 1268 O O . ASN B 1 57 ? 5.229 -19.705 32.482 1.00 19.95 ? 65 ASN B O 1 ATOM 1269 C CB . ASN B 1 57 ? 6.322 -21.103 35.553 1.00 23.01 ? 65 ASN B CB 1 ATOM 1270 C CG . ASN B 1 57 ? 7.659 -21.381 34.864 1.00 27.93 ? 65 ASN B CG 1 ATOM 1271 O OD1 . ASN B 1 57 ? 7.832 -21.150 33.670 1.00 26.05 ? 65 ASN B OD1 1 ATOM 1272 N ND2 . ASN B 1 57 ? 8.616 -21.878 35.638 1.00 33.12 ? 65 ASN B ND2 1 ATOM 1273 N N . MET B 1 58 ? 5.660 -18.491 34.312 1.00 19.88 ? 66 MET B N 1 ATOM 1274 C CA . MET B 1 58 ? 5.788 -17.270 33.516 1.00 21.07 ? 66 MET B CA 1 ATOM 1275 C C . MET B 1 58 ? 6.940 -17.405 32.540 1.00 19.04 ? 66 MET B C 1 ATOM 1276 O O . MET B 1 58 ? 6.847 -16.969 31.395 1.00 21.09 ? 66 MET B O 1 ATOM 1277 C CB . MET B 1 58 ? 6.014 -16.034 34.390 1.00 21.42 ? 66 MET B CB 1 ATOM 1278 C CG . MET B 1 58 ? 4.781 -15.462 35.072 1.00 25.23 ? 66 MET B CG 1 ATOM 1279 S SD . MET B 1 58 ? 3.289 -15.319 34.054 1.00 27.58 ? 66 MET B SD 1 ATOM 1280 C CE . MET B 1 58 ? 3.834 -14.460 32.616 1.00 22.13 ? 66 MET B CE 1 ATOM 1281 N N . ALA B 1 59 ? 8.032 -18.005 33.000 1.00 17.63 ? 67 ALA B N 1 ATOM 1282 C CA . ALA B 1 59 ? 9.219 -18.131 32.159 1.00 19.01 ? 67 ALA B CA 1 ATOM 1283 C C . ALA B 1 59 ? 8.931 -18.956 30.906 1.00 20.39 ? 67 ALA B C 1 ATOM 1284 O O . ALA B 1 59 ? 9.314 -18.555 29.813 1.00 18.71 ? 67 ALA B O 1 ATOM 1285 C CB . ALA B 1 59 ? 10.381 -18.738 32.943 1.00 23.06 ? 67 ALA B CB 1 ATOM 1286 N N . SER B 1 60 ? 8.256 -20.098 31.054 1.00 19.98 ? 68 SER B N 1 ATOM 1287 C CA . SER B 1 60 ? 8.014 -20.950 29.902 1.00 20.78 ? 68 SER B CA 1 ATOM 1288 C C . SER B 1 60 ? 6.980 -20.313 28.973 1.00 21.26 ? 68 SER B C 1 ATOM 1289 O O . SER B 1 60 ? 7.036 -20.490 27.757 1.00 20.64 ? 68 SER B O 1 ATOM 1290 C CB . SER B 1 60 ? 7.575 -22.358 30.339 1.00 20.66 ? 68 SER B CB 1 ATOM 1291 O OG . SER B 1 60 ? 6.315 -22.343 30.989 1.00 22.89 ? 68 SER B OG 1 ATOM 1292 N N . PHE B 1 61 ? 6.051 -19.552 29.542 1.00 17.82 ? 69 PHE B N 1 ATOM 1293 C CA . PHE B 1 61 ? 5.077 -18.819 28.743 1.00 17.46 ? 69 PHE B CA 1 ATOM 1294 C C . PHE B 1 61 ? 5.783 -17.747 27.909 1.00 18.39 ? 69 PHE B C 1 ATOM 1295 O O . PHE B 1 61 ? 5.582 -17.634 26.695 1.00 19.68 ? 69 PHE B O 1 ATOM 1296 C CB . PHE B 1 61 ? 4.014 -18.194 29.665 1.00 18.93 ? 69 PHE B CB 1 ATOM 1297 C CG . PHE B 1 61 ? 3.050 -17.262 28.972 1.00 19.38 ? 69 PHE B CG 1 ATOM 1298 C CD1 . PHE B 1 61 ? 1.993 -17.760 28.240 1.00 21.82 ? 69 PHE B CD1 1 ATOM 1299 C CD2 . PHE B 1 61 ? 3.186 -15.882 29.087 1.00 19.34 ? 69 PHE B CD2 1 ATOM 1300 C CE1 . PHE B 1 61 ? 1.099 -16.904 27.607 1.00 22.57 ? 69 PHE B CE1 1 ATOM 1301 C CE2 . PHE B 1 61 ? 2.287 -15.019 28.454 1.00 20.62 ? 69 PHE B CE2 1 ATOM 1302 C CZ . PHE B 1 61 ? 1.245 -15.532 27.721 1.00 21.32 ? 69 PHE B CZ 1 ATOM 1303 N N . VAL B 1 62 ? 6.648 -16.980 28.555 1.00 18.97 ? 70 VAL B N 1 ATOM 1304 C CA . VAL B 1 62 ? 7.362 -15.921 27.864 1.00 17.95 ? 70 VAL B CA 1 ATOM 1305 C C . VAL B 1 62 ? 8.359 -16.508 26.851 1.00 19.78 ? 70 VAL B C 1 ATOM 1306 O O . VAL B 1 62 ? 8.580 -15.924 25.804 1.00 18.35 ? 70 VAL B O 1 ATOM 1307 C CB . VAL B 1 62 ? 8.065 -15.004 28.865 1.00 21.18 ? 70 VAL B CB 1 ATOM 1308 C CG1 . VAL B 1 62 ? 8.921 -13.986 28.142 1.00 22.72 ? 70 VAL B CG1 1 ATOM 1309 C CG2 . VAL B 1 62 ? 7.008 -14.297 29.734 1.00 20.06 ? 70 VAL B CG2 1 ATOM 1310 N N . ARG B 1 63 ? 8.915 -17.682 27.132 1.00 18.10 ? 71 ARG B N 1 ATOM 1311 C CA . ARG B 1 63 ? 9.808 -18.328 26.149 1.00 19.87 ? 71 ARG B CA 1 ATOM 1312 C C . ARG B 1 63 ? 9.039 -18.622 24.856 1.00 18.02 ? 71 ARG B C 1 ATOM 1313 O O . ARG B 1 63 ? 9.587 -18.497 23.768 1.00 20.36 ? 71 ARG B O 1 ATOM 1314 C CB . ARG B 1 63 ? 10.446 -19.634 26.697 1.00 19.94 ? 71 ARG B CB 1 ATOM 1315 C CG . ARG B 1 63 ? 11.528 -19.391 27.755 1.00 22.18 ? 71 ARG B CG 1 ATOM 1316 C CD . ARG B 1 63 ? 12.403 -20.611 28.021 1.00 23.07 ? 71 ARG B CD 1 ATOM 1317 N NE . ARG B 1 63 ? 11.710 -21.644 28.798 1.00 26.70 ? 71 ARG B NE 1 ATOM 1318 C CZ . ARG B 1 63 ? 11.664 -21.661 30.127 1.00 28.32 ? 71 ARG B CZ 1 ATOM 1319 N NH1 . ARG B 1 63 ? 12.256 -20.690 30.827 1.00 27.80 ? 71 ARG B NH1 1 ATOM 1320 N NH2 . ARG B 1 63 ? 11.035 -22.645 30.759 1.00 28.55 ? 71 ARG B NH2 1 ATOM 1321 N N . GLN B 1 64 ? 7.768 -19.005 24.979 1.00 19.20 ? 72 GLN B N 1 ATOM 1322 C CA . GLN B 1 64 ? 6.947 -19.273 23.799 1.00 17.66 ? 72 GLN B CA 1 ATOM 1323 C C . GLN B 1 64 ? 6.664 -17.999 23.001 1.00 16.96 ? 72 GLN B C 1 ATOM 1324 O O . GLN B 1 64 ? 6.690 -17.993 21.767 1.00 19.31 ? 72 GLN B O 1 ATOM 1325 C CB . GLN B 1 64 ? 5.646 -19.960 24.204 1.00 17.54 ? 72 GLN B CB 1 ATOM 1326 C CG . GLN B 1 64 ? 5.856 -21.415 24.621 1.00 21.91 ? 72 GLN B CG 1 ATOM 1327 C CD . GLN B 1 64 ? 4.588 -22.055 25.135 1.00 22.54 ? 72 GLN B CD 1 ATOM 1328 O OE1 . GLN B 1 64 ? 3.726 -22.458 24.359 1.00 26.34 ? 72 GLN B OE1 1 ATOM 1329 N NE2 . GLN B 1 64 ? 4.462 -22.144 26.452 1.00 23.62 ? 72 GLN B NE2 1 ATOM 1330 N N . LEU B 1 65 ? 6.411 -16.906 23.701 1.00 17.21 ? 73 LEU B N 1 ATOM 1331 C CA . LEU B 1 65 ? 6.246 -15.634 23.011 1.00 18.77 ? 73 LEU B CA 1 ATOM 1332 C C . LEU B 1 65 ? 7.517 -15.296 22.230 1.00 18.18 ? 73 LEU B C 1 ATOM 1333 O O . LEU B 1 65 ? 7.457 -14.851 21.087 1.00 18.48 ? 73 LEU B O 1 ATOM 1334 C CB . LEU B 1 65 ? 5.917 -14.514 24.002 1.00 17.92 ? 73 LEU B CB 1 ATOM 1335 C CG . LEU B 1 65 ? 4.618 -14.615 24.814 1.00 18.41 ? 73 LEU B CG 1 ATOM 1336 C CD1 . LEU B 1 65 ? 4.547 -13.432 25.774 1.00 18.63 ? 73 LEU B CD1 1 ATOM 1337 C CD2 . LEU B 1 65 ? 3.403 -14.629 23.900 1.00 19.62 ? 73 LEU B CD2 1 ATOM 1338 N N . ASN B 1 66 ? 8.672 -15.527 22.841 1.00 19.31 ? 74 ASN B N 1 ATOM 1339 C CA . ASN B 1 66 ? 9.923 -15.218 22.162 1.00 19.35 ? 74 ASN B CA 1 ATOM 1340 C C . ASN B 1 66 ? 10.096 -16.117 20.942 1.00 18.84 ? 74 ASN B C 1 ATOM 1341 O O . ASN B 1 66 ? 10.565 -15.667 19.902 1.00 19.65 ? 74 ASN B O 1 ATOM 1342 C CB . ASN B 1 66 ? 11.109 -15.366 23.107 1.00 21.71 ? 74 ASN B CB 1 ATOM 1343 C CG . ASN B 1 66 ? 12.401 -14.819 22.510 1.00 23.68 ? 74 ASN B CG 1 ATOM 1344 O OD1 . ASN B 1 66 ? 12.431 -13.724 21.945 1.00 24.93 ? 74 ASN B OD1 1 ATOM 1345 N ND2 . ASN B 1 66 ? 13.469 -15.590 22.628 1.00 30.12 ? 74 ASN B ND2 1 ATOM 1346 N N . MET B 1 67 ? 9.698 -17.382 21.069 1.00 18.87 ? 75 MET B N 1 ATOM 1347 C CA . MET B 1 67 ? 9.839 -18.332 19.973 1.00 21.51 ? 75 MET B CA 1 ATOM 1348 C C . MET B 1 67 ? 9.050 -17.892 18.741 1.00 22.01 ? 75 MET B C 1 ATOM 1349 O O . MET B 1 67 ? 9.456 -18.145 17.604 1.00 27.16 ? 75 MET B O 1 ATOM 1350 C CB . MET B 1 67 ? 9.392 -19.730 20.417 1.00 23.90 ? 75 MET B CB 1 ATOM 1351 C CG . MET B 1 67 ? 9.437 -20.761 19.303 1.00 30.43 ? 75 MET B CG 1 ATOM 1352 S SD . MET B 1 67 ? 8.784 -22.361 19.822 1.00 39.96 ? 75 MET B SD 1 ATOM 1353 C CE . MET B 1 67 ? 7.115 -21.912 20.302 1.00 44.67 ? 75 MET B CE 1 ATOM 1354 N N . TYR B 1 68 ? 7.918 -17.234 18.969 1.00 19.65 ? 76 TYR B N 1 ATOM 1355 C CA . TYR B 1 68 ? 7.092 -16.764 17.872 1.00 21.64 ? 76 TYR B CA 1 ATOM 1356 C C . TYR B 1 68 ? 7.442 -15.340 17.464 1.00 24.38 ? 76 TYR B C 1 ATOM 1357 O O . TYR B 1 68 ? 6.753 -14.744 16.638 1.00 24.10 ? 76 TYR B O 1 ATOM 1358 C CB . TYR B 1 68 ? 5.606 -16.851 18.238 1.00 21.65 ? 76 TYR B CB 1 ATOM 1359 C CG . TYR B 1 68 ? 5.109 -18.281 18.197 1.00 23.11 ? 76 TYR B CG 1 ATOM 1360 C CD1 . TYR B 1 68 ? 5.070 -18.974 17.000 1.00 25.95 ? 76 TYR B CD1 1 ATOM 1361 C CD2 . TYR B 1 68 ? 4.695 -18.927 19.350 1.00 25.73 ? 76 TYR B CD2 1 ATOM 1362 C CE1 . TYR B 1 68 ? 4.641 -20.283 16.947 1.00 28.62 ? 76 TYR B CE1 1 ATOM 1363 C CE2 . TYR B 1 68 ? 4.261 -20.235 19.306 1.00 31.49 ? 76 TYR B CE2 1 ATOM 1364 C CZ . TYR B 1 68 ? 4.236 -20.903 18.102 1.00 31.67 ? 76 TYR B CZ 1 ATOM 1365 O OH . TYR B 1 68 ? 3.806 -22.206 18.055 1.00 32.36 ? 76 TYR B OH 1 ATOM 1366 N N . GLY B 1 69 ? 8.521 -14.807 18.031 1.00 21.15 ? 77 GLY B N 1 ATOM 1367 C CA . GLY B 1 69 ? 9.015 -13.502 17.627 1.00 23.75 ? 77 GLY B CA 1 ATOM 1368 C C . GLY B 1 69 ? 8.246 -12.310 18.175 1.00 22.39 ? 77 GLY B C 1 ATOM 1369 O O . GLY B 1 69 ? 8.327 -11.208 17.615 1.00 21.53 ? 77 GLY B O 1 ATOM 1370 N N . PHE B 1 70 ? 7.500 -12.508 19.258 1.00 18.76 ? 78 PHE B N 1 ATOM 1371 C CA . PHE B 1 70 ? 6.902 -11.367 19.966 1.00 18.85 ? 78 PHE B CA 1 ATOM 1372 C C . PHE B 1 70 ? 8.006 -10.507 20.544 1.00 18.61 ? 78 PHE B C 1 ATOM 1373 O O . PHE B 1 70 ? 9.049 -11.020 20.939 1.00 22.64 ? 78 PHE B O 1 ATOM 1374 C CB . PHE B 1 70 ? 5.976 -11.816 21.094 1.00 18.54 ? 78 PHE B CB 1 ATOM 1375 C CG . PHE B 1 70 ? 4.642 -12.309 20.622 1.00 16.00 ? 78 PHE B CG 1 ATOM 1376 C CD1 . PHE B 1 70 ? 4.518 -13.559 20.044 1.00 21.46 ? 78 PHE B CD1 1 ATOM 1377 C CD2 . PHE B 1 70 ? 3.511 -11.518 20.753 1.00 15.21 ? 78 PHE B CD2 1 ATOM 1378 C CE1 . PHE B 1 70 ? 3.285 -14.016 19.606 1.00 19.24 ? 78 PHE B CE1 1 ATOM 1379 C CE2 . PHE B 1 70 ? 2.280 -11.965 20.322 1.00 18.84 ? 78 PHE B CE2 1 ATOM 1380 C CZ . PHE B 1 70 ? 2.169 -13.222 19.745 1.00 19.57 ? 78 PHE B CZ 1 ATOM 1381 N N . ARG B 1 71 ? 7.768 -9.196 20.585 1.00 18.56 ? 79 ARG B N 1 ATOM 1382 C CA . ARG B 1 71 ? 8.703 -8.255 21.183 1.00 19.03 ? 79 ARG B CA 1 ATOM 1383 C C . ARG B 1 71 ? 8.087 -7.651 22.427 1.00 17.99 ? 79 ARG B C 1 ATOM 1384 O O . ARG B 1 71 ? 6.893 -7.791 22.661 1.00 19.62 ? 79 ARG B O 1 ATOM 1385 C CB . ARG B 1 71 ? 9.064 -7.149 20.199 1.00 19.98 ? 79 ARG B CB 1 ATOM 1386 C CG . ARG B 1 71 ? 9.696 -7.626 18.898 1.00 21.29 ? 79 ARG B CG 1 ATOM 1387 C CD . ARG B 1 71 ? 11.068 -8.191 19.121 1.00 29.81 ? 79 ARG B CD 1 ATOM 1388 N NE . ARG B 1 71 ? 11.813 -8.294 17.869 1.00 40.50 ? 79 ARG B NE 1 ATOM 1389 C CZ . ARG B 1 71 ? 12.155 -9.442 17.291 1.00 49.84 ? 79 ARG B CZ 1 ATOM 1390 N NH1 . ARG B 1 71 ? 11.828 -10.599 17.853 1.00 49.99 ? 79 ARG B NH1 1 ATOM 1391 N NH2 . ARG B 1 71 ? 12.836 -9.432 16.151 1.00 53.60 ? 79 ARG B NH2 1 ATOM 1392 N N . LYS B 1 72 ? 8.912 -6.975 23.220 1.00 18.25 ? 80 LYS B N 1 ATOM 1393 C CA . LYS B 1 72 ? 8.428 -6.241 24.370 1.00 17.39 ? 80 LYS B CA 1 ATOM 1394 C C . LYS B 1 72 ? 8.368 -4.754 24.039 1.00 18.07 ? 80 LYS B C 1 ATOM 1395 O O . LYS B 1 72 ? 9.242 -4.228 23.352 1.00 19.92 ? 80 LYS B O 1 ATOM 1396 C CB . LYS B 1 72 ? 9.326 -6.480 25.584 1.00 28.16 ? 80 LYS B CB 1 ATOM 1397 C CG . LYS B 1 72 ? 8.889 -5.742 26.828 1.00 32.33 ? 80 LYS B CG 1 ATOM 1398 C CD . LYS B 1 72 ? 9.519 -6.302 28.093 1.00 35.14 ? 80 LYS B CD 1 ATOM 1399 C CE . LYS B 1 72 ? 11.030 -6.206 28.052 1.00 43.27 ? 80 LYS B CE 1 ATOM 1400 N NZ . LYS B 1 72 ? 11.629 -6.521 29.380 1.00 48.14 ? 80 LYS B NZ 1 ATOM 1401 N N . VAL B 1 73 ? 7.331 -4.092 24.530 1.00 16.84 ? 81 VAL B N 1 ATOM 1402 C CA . VAL B 1 73 ? 7.183 -2.648 24.355 1.00 17.06 ? 81 VAL B CA 1 ATOM 1403 C C . VAL B 1 73 ? 7.419 -1.947 25.681 1.00 18.79 ? 81 VAL B C 1 ATOM 1404 O O . VAL B 1 73 ? 6.743 -2.248 26.669 1.00 21.01 ? 81 VAL B O 1 ATOM 1405 C CB . VAL B 1 73 ? 5.788 -2.294 23.826 1.00 17.30 ? 81 VAL B CB 1 ATOM 1406 C CG1 . VAL B 1 73 ? 5.648 -0.780 23.644 1.00 20.56 ? 81 VAL B CG1 1 ATOM 1407 C CG2 . VAL B 1 73 ? 5.510 -3.048 22.530 1.00 20.51 ? 81 VAL B CG2 1 ATOM 1408 N N . VAL B 1 74 ? 8.362 -1.007 25.711 1.00 16.52 ? 82 VAL B N 1 ATOM 1409 C CA . VAL B 1 74 ? 8.673 -0.319 26.961 1.00 17.77 ? 82 VAL B CA 1 ATOM 1410 C C . VAL B 1 74 ? 8.663 1.187 26.768 1.00 18.24 ? 82 VAL B C 1 ATOM 1411 O O . VAL B 1 74 ? 8.735 1.677 25.640 1.00 19.07 ? 82 VAL B O 1 ATOM 1412 C CB . VAL B 1 74 ? 10.035 -0.751 27.527 1.00 25.75 ? 82 VAL B CB 1 ATOM 1413 C CG1 . VAL B 1 74 ? 10.055 -2.256 27.761 1.00 26.50 ? 82 VAL B CG1 1 ATOM 1414 C CG2 . VAL B 1 74 ? 11.158 -0.336 26.595 1.00 22.22 ? 82 VAL B CG2 1 ATOM 1415 N N . HIS B 1 75 ? 8.545 1.920 27.867 1.00 20.93 ? 83 HIS B N 1 ATOM 1416 C CA . HIS B 1 75 ? 8.560 3.379 27.782 1.00 22.19 ? 83 HIS B CA 1 ATOM 1417 C C . HIS B 1 75 ? 9.976 3.872 27.512 1.00 23.06 ? 83 HIS B C 1 ATOM 1418 O O . HIS B 1 75 ? 10.959 3.285 27.978 1.00 23.86 ? 83 HIS B O 1 ATOM 1419 C CB . HIS B 1 75 ? 8.011 4.014 29.064 1.00 29.37 ? 83 HIS B CB 1 ATOM 1420 C CG . HIS B 1 75 ? 6.514 4.043 29.133 1.00 34.26 ? 83 HIS B CG 1 ATOM 1421 N ND1 . HIS B 1 75 ? 5.748 2.900 29.217 1.00 35.97 ? 83 HIS B ND1 1 ATOM 1422 C CD2 . HIS B 1 75 ? 5.642 5.079 29.130 1.00 36.14 ? 83 HIS B CD2 1 ATOM 1423 C CE1 . HIS B 1 75 ? 4.469 3.229 29.260 1.00 35.77 ? 83 HIS B CE1 1 ATOM 1424 N NE2 . HIS B 1 75 ? 4.377 4.546 29.210 1.00 38.39 ? 83 HIS B NE2 1 ATOM 1425 N N . ILE B 1 76 ? 10.077 4.952 26.749 1.00 20.09 ? 84 ILE B N 1 ATOM 1426 C CA . ILE B 1 76 ? 11.373 5.537 26.449 1.00 20.45 ? 84 ILE B CA 1 ATOM 1427 C C . ILE B 1 76 ? 11.999 6.132 27.697 1.00 24.78 ? 84 ILE B C 1 ATOM 1428 O O . ILE B 1 76 ? 13.182 5.916 27.977 1.00 28.17 ? 84 ILE B O 1 ATOM 1429 C CB . ILE B 1 76 ? 11.251 6.612 25.366 1.00 19.99 ? 84 ILE B CB 1 ATOM 1430 C CG1 . ILE B 1 76 ? 10.856 5.961 24.033 1.00 18.59 ? 84 ILE B CG1 1 ATOM 1431 C CG2 . ILE B 1 76 ? 12.546 7.364 25.227 1.00 23.42 ? 84 ILE B CG2 1 ATOM 1432 C CD1 . ILE B 1 76 ? 10.526 6.991 22.936 1.00 23.69 ? 84 ILE B CD1 1 ATOM 1433 N N . GLU B 1 77 ? 11.205 6.890 28.444 1.00 27.17 ? 85 GLU B N 1 ATOM 1434 C CA . GLU B 1 77 ? 11.667 7.454 29.708 1.00 33.30 ? 85 GLU B CA 1 ATOM 1435 C C . GLU B 1 77 ? 10.994 6.736 30.868 1.00 39.26 ? 85 GLU B C 1 ATOM 1436 O O . GLU B 1 77 ? 9.769 6.592 30.895 1.00 39.93 ? 85 GLU B O 1 ATOM 1437 C CB . GLU B 1 77 ? 11.392 8.956 29.766 1.00 34.72 ? 85 GLU B CB 1 ATOM 1438 C CG . GLU B 1 77 ? 12.070 9.732 28.651 1.00 41.21 ? 85 GLU B CG 1 ATOM 1439 C CD . GLU B 1 77 ? 12.080 11.231 28.890 1.00 52.18 ? 85 GLU B CD 1 ATOM 1440 O OE1 . GLU B 1 77 ? 12.880 11.932 28.231 1.00 54.94 ? 85 GLU B OE1 1 ATOM 1441 O OE2 . GLU B 1 77 ? 11.294 11.709 29.736 1.00 56.53 ? 85 GLU B OE2 1 ATOM 1442 N N . GLN B 1 78 ? 11.809 6.276 31.811 1.00 42.01 ? 86 GLN B N 1 ATOM 1443 C CA . GLN B 1 78 ? 11.330 5.552 32.982 1.00 47.37 ? 86 GLN B CA 1 ATOM 1444 C C . GLN B 1 78 ? 10.368 6.413 33.798 1.00 48.64 ? 86 GLN B C 1 ATOM 1445 O O . GLN B 1 78 ? 10.631 7.591 34.041 1.00 48.43 ? 86 GLN B O 1 ATOM 1446 C CB . GLN B 1 78 ? 12.514 5.109 33.852 1.00 54.02 ? 86 GLN B CB 1 ATOM 1447 C CG . GLN B 1 78 ? 12.344 3.746 34.516 1.00 60.97 ? 86 GLN B CG 1 ATOM 1448 C CD . GLN B 1 78 ? 13.190 2.665 33.859 1.00 65.54 ? 86 GLN B CD 1 ATOM 1449 O OE1 . GLN B 1 78 ? 14.225 2.950 33.252 1.00 66.25 ? 86 GLN B OE1 1 ATOM 1450 N NE2 . GLN B 1 78 ? 12.750 1.414 33.978 1.00 67.02 ? 86 GLN B NE2 1 ATOM 1451 N N . ARG B 1 86 ? 0.333 -2.441 40.625 1.00 43.86 ? 94 ARG B N 1 ATOM 1452 C CA . ARG B 1 86 ? 0.349 -3.574 39.709 1.00 44.54 ? 94 ARG B CA 1 ATOM 1453 C C . ARG B 1 86 ? 1.498 -3.467 38.712 1.00 44.14 ? 94 ARG B C 1 ATOM 1454 O O . ARG B 1 86 ? 1.817 -2.375 38.229 1.00 44.51 ? 94 ARG B O 1 ATOM 1455 C CB . ARG B 1 86 ? -0.980 -3.681 38.956 1.00 43.99 ? 94 ARG B CB 1 ATOM 1456 C CG . ARG B 1 86 ? -1.223 -2.553 37.989 1.00 40.95 ? 94 ARG B CG 1 ATOM 1457 C CD . ARG B 1 86 ? -2.346 -2.868 37.015 1.00 39.15 ? 94 ARG B CD 1 ATOM 1458 N NE . ARG B 1 86 ? -2.460 -1.794 36.034 1.00 40.07 ? 94 ARG B NE 1 ATOM 1459 C CZ . ARG B 1 86 ? -3.480 -1.635 35.197 1.00 44.25 ? 94 ARG B CZ 1 ATOM 1460 N NH1 . ARG B 1 86 ? -3.479 -0.615 34.346 1.00 46.75 ? 94 ARG B NH1 1 ATOM 1461 N NH2 . ARG B 1 86 ? -4.500 -2.488 35.210 1.00 40.52 ? 94 ARG B NH2 1 ATOM 1462 N N . ASP B 1 87 ? 2.116 -4.607 38.412 1.00 41.55 ? 95 ASP B N 1 ATOM 1463 C CA . ASP B 1 87 ? 3.165 -4.663 37.406 1.00 37.86 ? 95 ASP B CA 1 ATOM 1464 C C . ASP B 1 87 ? 2.547 -4.887 36.031 1.00 32.37 ? 95 ASP B C 1 ATOM 1465 O O . ASP B 1 87 ? 1.530 -5.559 35.893 1.00 30.34 ? 95 ASP B O 1 ATOM 1466 C CB . ASP B 1 87 ? 4.181 -5.760 37.732 1.00 39.52 ? 95 ASP B CB 1 ATOM 1467 C CG . ASP B 1 87 ? 3.558 -7.133 37.812 1.00 41.90 ? 95 ASP B CG 1 ATOM 1468 O OD1 . ASP B 1 87 ? 2.787 -7.378 38.765 1.00 43.84 ? 95 ASP B OD1 1 ATOM 1469 O OD2 . ASP B 1 87 ? 3.860 -7.976 36.936 1.00 43.97 ? 95 ASP B OD2 1 ATOM 1470 N N . ASP B 1 88 ? 3.182 -4.315 35.021 1.00 28.32 ? 96 ASP B N 1 ATOM 1471 C CA . ASP B 1 88 ? 2.620 -4.215 33.685 1.00 25.31 ? 96 ASP B CA 1 ATOM 1472 C C . ASP B 1 88 ? 3.720 -4.525 32.672 1.00 26.44 ? 96 ASP B C 1 ATOM 1473 O O . ASP B 1 88 ? 4.747 -3.850 32.649 1.00 26.46 ? 96 ASP B O 1 ATOM 1474 C CB . ASP B 1 88 ? 2.029 -2.800 33.502 1.00 24.47 ? 96 ASP B CB 1 ATOM 1475 C CG . ASP B 1 88 ? 1.549 -2.516 32.095 1.00 29.11 ? 96 ASP B CG 1 ATOM 1476 O OD1 . ASP B 1 88 ? 1.486 -3.434 31.252 1.00 25.56 ? 96 ASP B OD1 1 ATOM 1477 O OD2 . ASP B 1 88 ? 1.202 -1.339 31.837 1.00 32.90 ? 96 ASP B OD2 1 ATOM 1478 N N . THR B 1 89 ? 3.532 -5.579 31.877 1.00 23.06 ? 97 THR B N 1 ATOM 1479 C CA . THR B 1 89 ? 4.472 -5.928 30.818 1.00 19.25 ? 97 THR B CA 1 ATOM 1480 C C . THR B 1 89 ? 3.715 -5.925 29.495 1.00 21.34 ? 97 THR B C 1 ATOM 1481 O O . THR B 1 89 ? 2.624 -6.481 29.404 1.00 20.92 ? 97 THR B O 1 ATOM 1482 C CB . THR B 1 89 ? 5.134 -7.325 31.038 1.00 24.18 ? 97 THR B CB 1 ATOM 1483 O OG1 . THR B 1 89 ? 5.692 -7.407 32.354 1.00 27.48 ? 97 THR B OG1 1 ATOM 1484 C CG2 . THR B 1 89 ? 6.244 -7.564 30.018 1.00 25.02 ? 97 THR B CG2 1 ATOM 1485 N N . GLU B 1 90 ? 4.281 -5.295 28.474 1.00 17.44 ? 98 GLU B N 1 ATOM 1486 C CA . GLU B 1 90 ? 3.591 -5.144 27.194 1.00 17.49 ? 98 GLU B CA 1 ATOM 1487 C C . GLU B 1 90 ? 4.309 -5.919 26.094 1.00 17.74 ? 98 GLU B C 1 ATOM 1488 O O . GLU B 1 90 ? 5.527 -5.778 25.901 1.00 18.03 ? 98 GLU B O 1 ATOM 1489 C CB . GLU B 1 90 ? 3.472 -3.660 26.805 1.00 18.95 ? 98 GLU B CB 1 ATOM 1490 C CG . GLU B 1 90 ? 2.501 -3.437 25.645 1.00 20.80 ? 98 GLU B CG 1 ATOM 1491 C CD . GLU B 1 90 ? 2.212 -1.972 25.356 1.00 23.47 ? 98 GLU B CD 1 ATOM 1492 O OE1 . GLU B 1 90 ? 2.883 -1.090 25.927 1.00 24.01 ? 98 GLU B OE1 1 ATOM 1493 O OE2 . GLU B 1 90 ? 1.299 -1.711 24.549 1.00 27.17 ? 98 GLU B OE2 1 ATOM 1494 N N . PHE B 1 91 ? 3.561 -6.756 25.385 1.00 16.22 ? 99 PHE B N 1 ATOM 1495 C CA . PHE B 1 91 ? 4.134 -7.557 24.306 1.00 15.05 ? 99 PHE B CA 1 ATOM 1496 C C . PHE B 1 91 ? 3.471 -7.230 22.970 1.00 15.54 ? 99 PHE B C 1 ATOM 1497 O O . PHE B 1 91 ? 2.338 -6.730 22.926 1.00 16.82 ? 99 PHE B O 1 ATOM 1498 C CB . PHE B 1 91 ? 3.990 -9.059 24.594 1.00 17.13 ? 99 PHE B CB 1 ATOM 1499 C CG . PHE B 1 91 ? 4.691 -9.527 25.846 1.00 16.01 ? 99 PHE B CG 1 ATOM 1500 C CD1 . PHE B 1 91 ? 6.058 -9.775 25.843 1.00 17.92 ? 99 PHE B CD1 1 ATOM 1501 C CD2 . PHE B 1 91 ? 3.980 -9.728 27.014 1.00 16.53 ? 99 PHE B CD2 1 ATOM 1502 C CE1 . PHE B 1 91 ? 6.696 -10.219 26.999 1.00 19.88 ? 99 PHE B CE1 1 ATOM 1503 C CE2 . PHE B 1 91 ? 4.605 -10.170 28.162 1.00 19.62 ? 99 PHE B CE2 1 ATOM 1504 C CZ . PHE B 1 91 ? 5.970 -10.412 28.149 1.00 20.91 ? 99 PHE B CZ 1 ATOM 1505 N N . GLN B 1 92 ? 4.137 -7.548 21.866 1.00 17.49 ? 100 GLN B N 1 ATOM 1506 C CA . GLN B 1 92 ? 3.484 -7.354 20.581 1.00 15.77 ? 100 GLN B CA 1 ATOM 1507 C C . GLN B 1 92 ? 4.079 -8.174 19.460 1.00 15.97 ? 100 GLN B C 1 ATOM 1508 O O . GLN B 1 92 ? 5.232 -8.604 19.514 1.00 17.21 ? 100 GLN B O 1 ATOM 1509 C CB . GLN B 1 92 ? 3.497 -5.870 20.187 1.00 21.56 ? 100 GLN B CB 1 ATOM 1510 C CG . GLN B 1 92 ? 4.817 -5.338 19.805 1.00 22.78 ? 100 GLN B CG 1 ATOM 1511 C CD . GLN B 1 92 ? 4.734 -3.959 19.140 1.00 22.60 ? 100 GLN B CD 1 ATOM 1512 O OE1 . GLN B 1 92 ? 3.811 -3.168 19.382 1.00 25.42 ? 100 GLN B OE1 1 ATOM 1513 N NE2 . GLN B 1 92 ? 5.692 -3.685 18.282 1.00 24.38 ? 100 GLN B NE2 1 ATOM 1514 N N . HIS B 1 93 ? 3.242 -8.404 18.456 1.00 17.15 ? 101 HIS B N 1 ATOM 1515 C CA . HIS B 1 93 ? 3.637 -9.013 17.207 1.00 15.99 ? 101 HIS B CA 1 ATOM 1516 C C . HIS B 1 93 ? 2.813 -8.335 16.118 1.00 16.33 ? 101 HIS B C 1 ATOM 1517 O O . HIS B 1 93 ? 1.616 -8.131 16.300 1.00 17.51 ? 101 HIS B O 1 ATOM 1518 C CB . HIS B 1 93 ? 3.387 -10.531 17.223 1.00 18.67 ? 101 HIS B CB 1 ATOM 1519 C CG . HIS B 1 93 ? 3.998 -11.253 16.067 1.00 18.80 ? 101 HIS B CG 1 ATOM 1520 N ND1 . HIS B 1 93 ? 3.559 -11.088 14.769 1.00 18.48 ? 101 HIS B ND1 1 ATOM 1521 C CD2 . HIS B 1 93 ? 5.011 -12.152 16.008 1.00 18.63 ? 101 HIS B CD2 1 ATOM 1522 C CE1 . HIS B 1 93 ? 4.281 -11.841 13.963 1.00 22.39 ? 101 HIS B CE1 1 ATOM 1523 N NE2 . HIS B 1 93 ? 5.171 -12.500 14.689 1.00 22.63 ? 101 HIS B NE2 1 ATOM 1524 N N . PRO B 1 94 ? 3.441 -7.988 14.988 1.00 16.88 ? 102 PRO B N 1 ATOM 1525 C CA . PRO B 1 94 ? 2.710 -7.236 13.958 1.00 21.06 ? 102 PRO B CA 1 ATOM 1526 C C . PRO B 1 94 ? 1.510 -7.993 13.383 1.00 20.78 ? 102 PRO B C 1 ATOM 1527 O O . PRO B 1 94 ? 0.652 -7.371 12.766 1.00 21.12 ? 102 PRO B O 1 ATOM 1528 C CB . PRO B 1 94 ? 3.765 -6.998 12.874 1.00 22.75 ? 102 PRO B CB 1 ATOM 1529 C CG . PRO B 1 94 ? 4.830 -8.057 13.120 1.00 24.91 ? 102 PRO B CG 1 ATOM 1530 C CD . PRO B 1 94 ? 4.845 -8.249 14.607 1.00 20.45 ? 102 PRO B CD 1 ATOM 1531 N N . CYS B 1 95 ? 1.448 -9.304 13.586 1.00 19.00 ? 103 CYS B N 1 ATOM 1532 C CA . CYS B 1 95 ? 0.302 -10.086 13.117 1.00 20.92 ? 103 CYS B CA 1 ATOM 1533 C C . CYS B 1 95 ? -0.574 -10.609 14.254 1.00 18.64 ? 103 CYS B C 1 ATOM 1534 O O . CYS B 1 95 ? -1.370 -11.540 14.060 1.00 20.31 ? 103 CYS B O 1 ATOM 1535 C CB . CYS B 1 95 ? 0.781 -11.264 12.270 1.00 22.02 ? 103 CYS B CB 1 ATOM 1536 S SG . CYS B 1 95 ? 1.804 -10.786 10.851 1.00 29.87 ? 103 CYS B SG 1 ATOM 1537 N N . PHE B 1 96 ? -0.416 -10.030 15.437 1.00 17.62 ? 104 PHE B N 1 ATOM 1538 C CA . PHE B 1 96 ? -1.238 -10.378 16.597 1.00 20.46 ? 104 PHE B CA 1 ATOM 1539 C C . PHE B 1 96 ? -2.037 -9.127 16.952 1.00 17.79 ? 104 PHE B C 1 ATOM 1540 O O . PHE B 1 96 ? -1.565 -8.302 17.736 1.00 18.88 ? 104 PHE B O 1 ATOM 1541 C CB . PHE B 1 96 ? -0.352 -10.847 17.767 1.00 17.75 ? 104 PHE B CB 1 ATOM 1542 C CG . PHE B 1 96 ? -1.114 -11.436 18.928 1.00 18.44 ? 104 PHE B CG 1 ATOM 1543 C CD1 . PHE B 1 96 ? -1.366 -12.800 18.985 1.00 21.47 ? 104 PHE B CD1 1 ATOM 1544 C CD2 . PHE B 1 96 ? -1.537 -10.637 19.980 1.00 19.91 ? 104 PHE B CD2 1 ATOM 1545 C CE1 . PHE B 1 96 ? -2.062 -13.343 20.055 1.00 20.52 ? 104 PHE B CE1 1 ATOM 1546 C CE2 . PHE B 1 96 ? -2.235 -11.177 21.048 1.00 21.03 ? 104 PHE B CE2 1 ATOM 1547 C CZ . PHE B 1 96 ? -2.488 -12.529 21.086 1.00 20.69 ? 104 PHE B CZ 1 ATOM 1548 N N . LEU B 1 97 ? -3.225 -8.980 16.359 1.00 17.06 ? 105 LEU B N 1 ATOM 1549 C CA . LEU B 1 97 ? -3.942 -7.705 16.383 1.00 17.38 ? 105 LEU B CA 1 ATOM 1550 C C . LEU B 1 97 ? -5.383 -7.851 16.798 1.00 20.41 ? 105 LEU B C 1 ATOM 1551 O O . LEU B 1 97 ? -6.043 -8.825 16.438 1.00 20.25 ? 105 LEU B O 1 ATOM 1552 C CB . LEU B 1 97 ? -3.913 -7.041 15.007 1.00 17.34 ? 105 LEU B CB 1 ATOM 1553 C CG . LEU B 1 97 ? -2.527 -6.779 14.417 1.00 19.90 ? 105 LEU B CG 1 ATOM 1554 C CD1 . LEU B 1 97 ? -2.660 -6.117 13.064 1.00 19.10 ? 105 LEU B CD1 1 ATOM 1555 C CD2 . LEU B 1 97 ? -1.730 -5.902 15.370 1.00 21.91 ? 105 LEU B CD2 1 ATOM 1556 N N . ARG B 1 98 ? -5.883 -6.851 17.517 1.00 17.43 ? 106 ARG B N 1 ATOM 1557 C CA . ARG B 1 98 ? -7.273 -6.876 17.954 1.00 17.10 ? 106 ARG B CA 1 ATOM 1558 C C . ARG B 1 98 ? -8.221 -7.038 16.772 1.00 19.88 ? 106 ARG B C 1 ATOM 1559 O O . ARG B 1 98 ? -8.119 -6.320 15.775 1.00 21.02 ? 106 ARG B O 1 ATOM 1560 C CB . ARG B 1 98 ? -7.634 -5.593 18.716 1.00 18.27 ? 106 ARG B CB 1 ATOM 1561 C CG . ARG B 1 98 ? -9.070 -5.616 19.256 1.00 19.63 ? 106 ARG B CG 1 ATOM 1562 C CD . ARG B 1 98 ? -9.390 -4.336 20.014 1.00 21.99 ? 106 ARG B CD 1 ATOM 1563 N NE . ARG B 1 98 ? -9.239 -3.154 19.166 1.00 25.00 ? 106 ARG B NE 1 ATOM 1564 C CZ . ARG B 1 98 ? -8.573 -2.064 19.531 1.00 25.32 ? 106 ARG B CZ 1 ATOM 1565 N NH1 . ARG B 1 98 ? -8.009 -2.001 20.732 1.00 26.24 ? 106 ARG B NH1 1 ATOM 1566 N NH2 . ARG B 1 98 ? -8.469 -1.049 18.702 1.00 28.14 ? 106 ARG B NH2 1 ATOM 1567 N N . GLY B 1 99 ? -9.139 -7.990 16.891 1.00 20.46 ? 107 GLY B N 1 ATOM 1568 C CA . GLY B 1 99 ? -10.194 -8.163 15.910 1.00 23.04 ? 107 GLY B CA 1 ATOM 1569 C C . GLY B 1 99 ? -9.736 -8.664 14.558 1.00 24.41 ? 107 GLY B C 1 ATOM 1570 O O . GLY B 1 99 ? -10.511 -8.635 13.591 1.00 25.69 ? 107 GLY B O 1 ATOM 1571 N N . GLN B 1 100 ? -8.490 -9.136 14.483 1.00 20.24 ? 108 GLN B N 1 ATOM 1572 C CA . GLN B 1 100 ? -7.974 -9.685 13.235 1.00 24.20 ? 108 GLN B CA 1 ATOM 1573 C C . GLN B 1 100 ? -7.330 -11.054 13.451 1.00 22.19 ? 108 GLN B C 1 ATOM 1574 O O . GLN B 1 100 ? -6.151 -11.249 13.160 1.00 22.61 ? 108 GLN B O 1 ATOM 1575 C CB . GLN B 1 100 ? -6.974 -8.720 12.604 1.00 21.43 ? 108 GLN B CB 1 ATOM 1576 C CG . GLN B 1 100 ? -7.530 -7.325 12.387 1.00 26.45 ? 108 GLN B CG 1 ATOM 1577 C CD . GLN B 1 100 ? -6.596 -6.465 11.563 1.00 30.06 ? 108 GLN B CD 1 ATOM 1578 O OE1 . GLN B 1 100 ? -6.332 -6.765 10.400 1.00 33.53 ? 108 GLN B OE1 1 ATOM 1579 N NE2 . GLN B 1 100 ? -6.079 -5.401 12.163 1.00 28.59 ? 108 GLN B NE2 1 ATOM 1580 N N . GLU B 1 101 ? -8.121 -12.007 13.940 1.00 22.99 ? 109 GLU B N 1 ATOM 1581 C CA . GLU B 1 101 ? -7.607 -13.331 14.272 1.00 25.74 ? 109 GLU B CA 1 ATOM 1582 C C . GLU B 1 101 ? -6.974 -14.049 13.083 1.00 24.19 ? 109 GLU B C 1 ATOM 1583 O O . GLU B 1 101 ? -6.105 -14.902 13.261 1.00 24.63 ? 109 GLU B O 1 ATOM 1584 C CB . GLU B 1 101 ? -8.721 -14.211 14.858 1.00 27.14 ? 109 GLU B CB 1 ATOM 1585 C CG . GLU B 1 101 ? -8.181 -15.528 15.398 1.00 28.90 ? 109 GLU B CG 1 ATOM 1586 C CD . GLU B 1 101 ? -9.209 -16.358 16.136 1.00 32.28 ? 109 GLU B CD 1 ATOM 1587 O OE1 . GLU B 1 101 ? -10.413 -16.040 16.069 1.00 31.30 ? 109 GLU B OE1 1 ATOM 1588 O OE2 . GLU B 1 101 ? -8.803 -17.343 16.789 1.00 35.69 ? 109 GLU B OE2 1 ATOM 1589 N N . GLN B 1 102 ? -7.390 -13.701 11.867 1.00 24.52 ? 110 GLN B N 1 ATOM 1590 C CA . GLN B 1 102 ? -6.915 -14.442 10.704 1.00 26.83 ? 110 GLN B CA 1 ATOM 1591 C C . GLN B 1 102 ? -5.435 -14.161 10.435 1.00 25.03 ? 110 GLN B C 1 ATOM 1592 O O . GLN B 1 102 ? -4.758 -14.957 9.781 1.00 27.57 ? 110 GLN B O 1 ATOM 1593 C CB . GLN B 1 102 ? -7.763 -14.118 9.468 1.00 32.48 ? 110 GLN B CB 1 ATOM 1594 C CG . GLN B 1 102 ? -7.352 -12.867 8.694 1.00 37.88 ? 110 GLN B CG 1 ATOM 1595 C CD . GLN B 1 102 ? -7.779 -11.564 9.358 1.00 44.96 ? 110 GLN B CD 1 ATOM 1596 O OE1 . GLN B 1 102 ? -8.527 -11.556 10.342 1.00 44.26 ? 110 GLN B OE1 1 ATOM 1597 N NE2 . GLN B 1 102 ? -7.304 -10.447 8.812 1.00 48.03 ? 110 GLN B NE2 1 ATOM 1598 N N . LEU B 1 103 ? -4.929 -13.044 10.955 1.00 22.64 ? 111 LEU B N 1 ATOM 1599 C CA . LEU B 1 103 ? -3.518 -12.700 10.785 1.00 22.37 ? 111 LEU B CA 1 ATOM 1600 C C . LEU B 1 103 ? -2.582 -13.613 11.570 1.00 22.61 ? 111 LEU B C 1 ATOM 1601 O O . LEU B 1 103 ? -1.379 -13.618 11.321 1.00 22.99 ? 111 LEU B O 1 ATOM 1602 C CB . LEU B 1 103 ? -3.271 -11.246 11.188 1.00 22.48 ? 111 LEU B CB 1 ATOM 1603 C CG . LEU B 1 103 ? -3.993 -10.197 10.339 1.00 23.39 ? 111 LEU B CG 1 ATOM 1604 C CD1 . LEU B 1 103 ? -3.554 -8.821 10.777 1.00 22.81 ? 111 LEU B CD1 1 ATOM 1605 C CD2 . LEU B 1 103 ? -3.731 -10.409 8.850 1.00 26.81 ? 111 LEU B CD2 1 ATOM 1606 N N . LEU B 1 104 ? -3.117 -14.391 12.510 1.00 23.75 ? 112 LEU B N 1 ATOM 1607 C CA . LEU B 1 104 ? -2.279 -15.326 13.263 1.00 25.12 ? 112 LEU B CA 1 ATOM 1608 C C . LEU B 1 104 ? -1.562 -16.299 12.333 1.00 26.40 ? 112 LEU B C 1 ATOM 1609 O O . LEU B 1 104 ? -0.501 -16.850 12.672 1.00 26.64 ? 112 LEU B O 1 ATOM 1610 C CB . LEU B 1 104 ? -3.112 -16.116 14.277 1.00 23.79 ? 112 LEU B CB 1 ATOM 1611 C CG . LEU B 1 104 ? -3.747 -15.367 15.444 1.00 23.40 ? 112 LEU B CG 1 ATOM 1612 C CD1 . LEU B 1 104 ? -4.516 -16.355 16.319 1.00 23.96 ? 112 LEU B CD1 1 ATOM 1613 C CD2 . LEU B 1 104 ? -2.705 -14.626 16.264 1.00 21.47 ? 112 LEU B CD2 1 ATOM 1614 N N . GLU B 1 105 ? -2.159 -16.522 11.163 1.00 25.37 ? 113 GLU B N 1 ATOM 1615 C CA . GLU B 1 105 ? -1.601 -17.441 10.174 1.00 26.14 ? 113 GLU B CA 1 ATOM 1616 C C . GLU B 1 105 ? -0.211 -17.014 9.711 1.00 26.75 ? 113 GLU B C 1 ATOM 1617 O O . GLU B 1 105 ? 0.583 -17.835 9.248 1.00 27.82 ? 113 GLU B O 1 ATOM 1618 C CB . GLU B 1 105 ? -2.540 -17.552 8.971 1.00 27.80 ? 113 GLU B CB 1 ATOM 1619 C CG . GLU B 1 105 ? -1.944 -18.240 7.751 1.00 31.91 ? 113 GLU B CG 1 ATOM 1620 C CD . GLU B 1 105 ? -1.572 -19.692 8.011 1.00 35.96 ? 113 GLU B CD 1 ATOM 1621 O OE1 . GLU B 1 105 ? -2.131 -20.285 8.961 1.00 36.85 ? 113 GLU B OE1 1 ATOM 1622 O OE2 . GLU B 1 105 ? -0.730 -20.240 7.264 1.00 35.40 ? 113 GLU B OE2 1 ATOM 1623 N N . ASN B 1 106 ? 0.080 -15.725 9.835 1.00 27.77 ? 114 ASN B N 1 ATOM 1624 C CA . ASN B 1 106 ? 1.345 -15.192 9.343 1.00 31.61 ? 114 ASN B CA 1 ATOM 1625 C C . ASN B 1 106 ? 2.458 -15.208 10.390 1.00 30.77 ? 114 ASN B C 1 ATOM 1626 O O . ASN B 1 106 ? 3.585 -14.814 10.112 1.00 33.40 ? 114 ASN B O 1 ATOM 1627 C CB . ASN B 1 106 ? 1.129 -13.773 8.823 1.00 32.54 ? 114 ASN B CB 1 ATOM 1628 C CG . ASN B 1 106 ? 0.071 -13.717 7.742 1.00 35.51 ? 114 ASN B CG 1 ATOM 1629 O OD1 . ASN B 1 106 ? -0.046 -14.634 6.935 1.00 37.55 ? 114 ASN B OD1 1 ATOM 1630 N ND2 . ASN B 1 106 ? -0.713 -12.647 7.726 1.00 36.75 ? 114 ASN B ND2 1 ATOM 1631 N N . ILE B 1 107 ? 2.136 -15.678 11.588 1.00 26.94 ? 115 ILE B N 1 ATOM 1632 C CA . ILE B 1 107 ? 3.108 -15.797 12.671 1.00 26.30 ? 115 ILE B CA 1 ATOM 1633 C C . ILE B 1 107 ? 3.912 -17.081 12.514 1.00 29.89 ? 115 ILE B C 1 ATOM 1634 O O . ILE B 1 107 ? 3.340 -18.158 12.375 1.00 33.47 ? 115 ILE B O 1 ATOM 1635 C CB . ILE B 1 107 ? 2.405 -15.779 14.046 1.00 21.62 ? 115 ILE B CB 1 ATOM 1636 C CG1 . ILE B 1 107 ? 1.701 -14.438 14.245 1.00 20.60 ? 115 ILE B CG1 1 ATOM 1637 C CG2 . ILE B 1 107 ? 3.407 -16.041 15.174 1.00 24.54 ? 115 ILE B CG2 1 ATOM 1638 C CD1 . ILE B 1 107 ? 1.054 -14.275 15.602 1.00 26.39 ? 115 ILE B CD1 1 ATOM 1639 N N . LYS B 1 108 ? 5.237 -16.971 12.527 1.00 30.13 ? 116 LYS B N 1 ATOM 1640 C CA . LYS B 1 108 ? 6.087 -18.146 12.306 1.00 38.42 ? 116 LYS B CA 1 ATOM 1641 C C . LYS B 1 108 ? 7.054 -18.412 13.460 1.00 37.57 ? 116 LYS B C 1 ATOM 1642 O O . LYS B 1 108 ? 7.482 -17.485 14.146 1.00 33.81 ? 116 LYS B O 1 ATOM 1643 C CB . LYS B 1 108 ? 6.874 -17.977 11.007 1.00 47.97 ? 116 LYS B CB 1 ATOM 1644 C CG . LYS B 1 108 ? 6.001 -17.793 9.774 1.00 56.82 ? 116 LYS B CG 1 ATOM 1645 C CD . LYS B 1 108 ? 6.849 -17.567 8.531 1.00 63.98 ? 116 LYS B CD 1 ATOM 1646 C CE . LYS B 1 108 ? 7.841 -18.704 8.322 1.00 68.63 ? 116 LYS B CE 1 ATOM 1647 N NZ . LYS B 1 108 ? 8.740 -18.460 7.158 1.00 71.30 ? 116 LYS B NZ 1 ATOM 1648 N N . ARG B 1 109 ? 7.398 -19.679 13.677 1.00 39.93 ? 117 ARG B N 1 ATOM 1649 C CA . ARG B 1 109 ? 8.401 -20.016 14.684 1.00 49.04 ? 117 ARG B CA 1 ATOM 1650 C C . ARG B 1 109 ? 9.776 -19.519 14.256 1.00 58.87 ? 117 ARG B C 1 ATOM 1651 O O . ARG B 1 109 ? 10.158 -19.647 13.090 1.00 61.18 ? 117 ARG B O 1 ATOM 1652 C CB . ARG B 1 109 ? 8.456 -21.523 14.937 1.00 53.16 ? 117 ARG B CB 1 ATOM 1653 C CG . ARG B 1 109 ? 7.392 -22.052 15.877 1.00 56.71 ? 117 ARG B CG 1 ATOM 1654 C CD . ARG B 1 109 ? 7.898 -23.294 16.601 1.00 62.10 ? 117 ARG B CD 1 ATOM 1655 N NE . ARG B 1 109 ? 6.834 -24.019 17.293 1.00 66.00 ? 117 ARG B NE 1 ATOM 1656 C CZ . ARG B 1 109 ? 7.045 -25.023 18.140 1.00 68.00 ? 117 ARG B CZ 1 ATOM 1657 N NH1 . ARG B 1 109 ? 8.284 -25.412 18.410 1.00 69.30 ? 117 ARG B NH1 1 ATOM 1658 N NH2 . ARG B 1 109 ? 6.021 -25.632 18.725 1.00 68.13 ? 117 ARG B NH2 1 ATOM 1659 N N . LYS B 1 110 ? 10.519 -18.963 15.208 1.00 64.60 ? 118 LYS B N 1 ATOM 1660 C CA . LYS B 1 110 ? 11.838 -18.398 14.939 1.00 70.05 ? 118 LYS B CA 1 ATOM 1661 C C . LYS B 1 110 ? 11.750 -17.229 13.958 1.00 74.36 ? 118 LYS B C 1 ATOM 1662 O O . LYS B 1 110 ? 11.999 -17.384 12.760 1.00 78.04 ? 118 LYS B O 1 ATOM 1663 C CB . LYS B 1 110 ? 12.786 -19.472 14.401 1.00 71.08 ? 118 LYS B CB 1 ATOM 1664 C CG . LYS B 1 110 ? 13.094 -20.577 15.397 1.00 70.98 ? 118 LYS B CG 1 ATOM 1665 C CD . LYS B 1 110 ? 14.165 -21.513 14.864 1.00 71.94 ? 118 LYS B CD 1 ATOM 1666 C CE . LYS B 1 110 ? 14.599 -22.513 15.923 1.00 71.27 ? 118 LYS B CE 1 ATOM 1667 N NZ . LYS B 1 110 ? 15.639 -23.444 15.412 1.00 73.17 ? 118 LYS B NZ 1 ATOM 1668 O "O5'" . DG C 2 1 ? 23.035 20.979 22.688 1.00 26.85 ? 1 DG E "O5'" 1 ATOM 1669 C "C5'" . DG C 2 1 ? 21.650 20.623 22.776 1.00 24.89 ? 1 DG E "C5'" 1 ATOM 1670 C "C4'" . DG C 2 1 ? 21.112 20.952 24.152 1.00 20.79 ? 1 DG E "C4'" 1 ATOM 1671 O "O4'" . DG C 2 1 ? 21.272 22.373 24.404 1.00 19.49 ? 1 DG E "O4'" 1 ATOM 1672 C "C3'" . DG C 2 1 ? 19.634 20.675 24.370 1.00 21.16 ? 1 DG E "C3'" 1 ATOM 1673 O "O3'" . DG C 2 1 ? 19.435 20.423 25.752 1.00 23.11 ? 1 DG E "O3'" 1 ATOM 1674 C "C2'" . DG C 2 1 ? 18.987 21.989 23.922 1.00 20.83 ? 1 DG E "C2'" 1 ATOM 1675 C "C1'" . DG C 2 1 ? 20.023 23.022 24.379 1.00 18.46 ? 1 DG E "C1'" 1 ATOM 1676 N N9 . DG C 2 1 ? 20.123 24.179 23.490 1.00 20.17 ? 1 DG E N9 1 ATOM 1677 C C8 . DG C 2 1 ? 20.120 24.184 22.117 1.00 19.94 ? 1 DG E C8 1 ATOM 1678 N N7 . DG C 2 1 ? 20.218 25.381 21.606 1.00 20.96 ? 1 DG E N7 1 ATOM 1679 C C5 . DG C 2 1 ? 20.289 26.214 22.716 1.00 18.35 ? 1 DG E C5 1 ATOM 1680 C C6 . DG C 2 1 ? 20.405 27.624 22.790 1.00 18.27 ? 1 DG E C6 1 ATOM 1681 O O6 . DG C 2 1 ? 20.461 28.426 21.855 1.00 18.34 ? 1 DG E O6 1 ATOM 1682 N N1 . DG C 2 1 ? 20.456 28.066 24.110 1.00 18.12 ? 1 DG E N1 1 ATOM 1683 C C2 . DG C 2 1 ? 20.387 27.245 25.211 1.00 20.17 ? 1 DG E C2 1 ATOM 1684 N N2 . DG C 2 1 ? 20.450 27.834 26.405 1.00 17.96 ? 1 DG E N2 1 ATOM 1685 N N3 . DG C 2 1 ? 20.284 25.922 25.147 1.00 20.79 ? 1 DG E N3 1 ATOM 1686 C C4 . DG C 2 1 ? 20.240 25.487 23.875 1.00 18.29 ? 1 DG E C4 1 ATOM 1687 P P . DG C 2 2 ? 17.967 20.300 26.394 1.00 25.66 ? 2 DG E P 1 ATOM 1688 O OP1 . DG C 2 2 ? 18.125 19.271 27.451 1.00 27.88 ? 2 DG E OP1 1 ATOM 1689 O OP2 . DG C 2 2 ? 16.919 20.190 25.356 1.00 29.19 ? 2 DG E OP2 1 ATOM 1690 O "O5'" . DG C 2 2 ? 17.762 21.700 27.121 1.00 22.18 ? 2 DG E "O5'" 1 ATOM 1691 C "C5'" . DG C 2 2 ? 18.602 22.051 28.202 1.00 22.96 ? 2 DG E "C5'" 1 ATOM 1692 C "C4'" . DG C 2 2 ? 18.088 23.299 28.895 1.00 25.72 ? 2 DG E "C4'" 1 ATOM 1693 O "O4'" . DG C 2 2 ? 18.237 24.443 28.020 1.00 27.13 ? 2 DG E "O4'" 1 ATOM 1694 C "C3'" . DG C 2 2 ? 16.621 23.265 29.299 1.00 25.33 ? 2 DG E "C3'" 1 ATOM 1695 O "O3'" . DG C 2 2 ? 16.463 23.967 30.523 1.00 28.18 ? 2 DG E "O3'" 1 ATOM 1696 C "C2'" . DG C 2 2 ? 15.936 23.986 28.143 1.00 26.05 ? 2 DG E "C2'" 1 ATOM 1697 C "C1'" . DG C 2 2 ? 16.974 25.048 27.793 1.00 23.82 ? 2 DG E "C1'" 1 ATOM 1698 N N9 . DG C 2 2 ? 16.941 25.473 26.398 1.00 21.77 ? 2 DG E N9 1 ATOM 1699 C C8 . DG C 2 2 ? 16.920 24.668 25.290 1.00 19.75 ? 2 DG E C8 1 ATOM 1700 N N7 . DG C 2 2 ? 16.913 25.337 24.164 1.00 19.54 ? 2 DG E N7 1 ATOM 1701 C C5 . DG C 2 2 ? 16.947 26.666 24.554 1.00 18.84 ? 2 DG E C5 1 ATOM 1702 C C6 . DG C 2 2 ? 16.961 27.847 23.773 1.00 18.67 ? 2 DG E C6 1 ATOM 1703 O O6 . DG C 2 2 ? 16.961 27.951 22.545 1.00 19.02 ? 2 DG E O6 1 ATOM 1704 N N1 . DG C 2 2 ? 16.982 28.992 24.566 1.00 18.58 ? 2 DG E N1 1 ATOM 1705 C C2 . DG C 2 2 ? 16.994 28.992 25.933 1.00 18.49 ? 2 DG E C2 1 ATOM 1706 N N2 . DG C 2 2 ? 17.021 30.194 26.524 1.00 22.39 ? 2 DG E N2 1 ATOM 1707 N N3 . DG C 2 2 ? 16.999 27.886 26.679 1.00 18.52 ? 2 DG E N3 1 ATOM 1708 C C4 . DG C 2 2 ? 16.964 26.769 25.925 1.00 19.84 ? 2 DG E C4 1 ATOM 1709 P P . DT C 2 3 ? 15.024 24.130 31.207 1.00 35.56 ? 3 DT E P 1 ATOM 1710 O OP1 . DT C 2 3 ? 15.255 24.013 32.664 1.00 36.57 ? 3 DT E OP1 1 ATOM 1711 O OP2 . DT C 2 3 ? 14.035 23.261 30.538 1.00 37.50 ? 3 DT E OP2 1 ATOM 1712 O "O5'" . DT C 2 3 ? 14.604 25.624 30.834 1.00 31.48 ? 3 DT E "O5'" 1 ATOM 1713 C "C5'" . DT C 2 3 ? 15.434 26.701 31.187 1.00 29.07 ? 3 DT E "C5'" 1 ATOM 1714 C "C4'" . DT C 2 3 ? 14.855 28.011 30.677 1.00 27.39 ? 3 DT E "C4'" 1 ATOM 1715 O "O4'" . DT C 2 3 ? 14.943 28.059 29.240 1.00 28.29 ? 3 DT E "O4'" 1 ATOM 1716 C "C3'" . DT C 2 3 ? 13.384 28.266 31.028 1.00 30.66 ? 3 DT E "C3'" 1 ATOM 1717 O "O3'" . DT C 2 3 ? 13.315 29.495 31.715 1.00 35.41 ? 3 DT E "O3'" 1 ATOM 1718 C "C2'" . DT C 2 3 ? 12.666 28.311 29.662 1.00 28.12 ? 3 DT E "C2'" 1 ATOM 1719 C "C1'" . DT C 2 3 ? 13.801 28.691 28.723 1.00 26.63 ? 3 DT E "C1'" 1 ATOM 1720 N N1 . DT C 2 3 ? 13.658 28.234 27.300 1.00 23.59 ? 3 DT E N1 1 ATOM 1721 C C2 . DT C 2 3 ? 13.669 29.171 26.296 1.00 23.12 ? 3 DT E C2 1 ATOM 1722 O O2 . DT C 2 3 ? 13.722 30.369 26.507 1.00 24.07 ? 3 DT E O2 1 ATOM 1723 N N3 . DT C 2 3 ? 13.603 28.657 25.027 1.00 19.04 ? 3 DT E N3 1 ATOM 1724 C C4 . DT C 2 3 ? 13.528 27.335 24.669 1.00 19.10 ? 3 DT E C4 1 ATOM 1725 O O4 . DT C 2 3 ? 13.465 26.974 23.500 1.00 21.31 ? 3 DT E O4 1 ATOM 1726 C C5 . DT C 2 3 ? 13.536 26.394 25.769 1.00 25.64 ? 3 DT E C5 1 ATOM 1727 C C7 . DT C 2 3 ? 13.461 24.922 25.501 1.00 26.95 ? 3 DT E C7 1 ATOM 1728 C C6 . DT C 2 3 ? 13.618 26.883 27.016 1.00 24.63 ? 3 DT E C6 1 ATOM 1729 P P . DT C 2 4 ? 11.917 30.125 32.178 1.00 38.39 ? 4 DT E P 1 ATOM 1730 O OP1 . DT C 2 4 ? 12.232 30.965 33.350 1.00 41.17 ? 4 DT E OP1 1 ATOM 1731 O OP2 . DT C 2 4 ? 10.884 29.076 32.280 1.00 38.78 ? 4 DT E OP2 1 ATOM 1732 O "O5'" . DT C 2 4 ? 11.533 31.102 30.974 1.00 34.83 ? 4 DT E "O5'" 1 ATOM 1733 C "C5'" . DT C 2 4 ? 12.363 32.210 30.670 1.00 31.17 ? 4 DT E "C5'" 1 ATOM 1734 C "C4'" . DT C 2 4 ? 11.797 33.008 29.506 1.00 32.37 ? 4 DT E "C4'" 1 ATOM 1735 O "O4'" . DT C 2 4 ? 11.848 32.217 28.295 1.00 29.22 ? 4 DT E "O4'" 1 ATOM 1736 C "C3'" . DT C 2 4 ? 10.345 33.465 29.662 1.00 32.50 ? 4 DT E "C3'" 1 ATOM 1737 O "O3'" . DT C 2 4 ? 10.275 34.836 29.316 1.00 34.86 ? 4 DT E "O3'" 1 ATOM 1738 C "C2'" . DT C 2 4 ? 9.573 32.569 28.673 1.00 30.71 ? 4 DT E "C2'" 1 ATOM 1739 C "C1'" . DT C 2 4 ? 10.630 32.329 27.602 1.00 28.85 ? 4 DT E "C1'" 1 ATOM 1740 N N1 . DT C 2 4 ? 10.465 31.080 26.796 1.00 24.53 ? 4 DT E N1 1 ATOM 1741 C C2 . DT C 2 4 ? 10.527 31.161 25.424 1.00 23.07 ? 4 DT E C2 1 ATOM 1742 O O2 . DT C 2 4 ? 10.661 32.211 24.827 1.00 22.64 ? 4 DT E O2 1 ATOM 1743 N N3 . DT C 2 4 ? 10.397 29.969 24.769 1.00 24.12 ? 4 DT E N3 1 ATOM 1744 C C4 . DT C 2 4 ? 10.235 28.720 25.328 1.00 22.73 ? 4 DT E C4 1 ATOM 1745 O O4 . DT C 2 4 ? 10.145 27.704 24.644 1.00 23.72 ? 4 DT E O4 1 ATOM 1746 C C5 . DT C 2 4 ? 10.185 28.693 26.772 1.00 24.57 ? 4 DT E C5 1 ATOM 1747 C C7 . DT C 2 4 ? 10.007 27.386 27.493 1.00 25.94 ? 4 DT E C7 1 ATOM 1748 C C6 . DT C 2 4 ? 10.310 29.864 27.433 1.00 25.57 ? 4 DT E C6 1 ATOM 1749 P P . DC C 2 5 ? 8.918 35.676 29.484 1.00 35.81 ? 5 DC E P 1 ATOM 1750 O OP1 . DC C 2 5 ? 9.298 37.034 29.913 1.00 38.07 ? 5 DC E OP1 1 ATOM 1751 O OP2 . DC C 2 5 ? 7.966 34.880 30.290 1.00 38.56 ? 5 DC E OP2 1 ATOM 1752 O "O5'" . DC C 2 5 ? 8.361 35.770 27.994 1.00 30.67 ? 5 DC E "O5'" 1 ATOM 1753 C "C5'" . DC C 2 5 ? 9.106 36.451 27.019 1.00 28.62 ? 5 DC E "C5'" 1 ATOM 1754 C "C4'" . DC C 2 5 ? 8.414 36.389 25.675 1.00 28.37 ? 5 DC E "C4'" 1 ATOM 1755 O "O4'" . DC C 2 5 ? 8.455 35.035 25.172 1.00 28.20 ? 5 DC E "O4'" 1 ATOM 1756 C "C3'" . DC C 2 5 ? 6.943 36.802 25.680 1.00 28.31 ? 5 DC E "C3'" 1 ATOM 1757 O "O3'" . DC C 2 5 ? 6.724 37.732 24.635 1.00 33.87 ? 5 DC E "O3'" 1 ATOM 1758 C "C2'" . DC C 2 5 ? 6.189 35.481 25.450 1.00 29.53 ? 5 DC E "C2'" 1 ATOM 1759 C "C1'" . DC C 2 5 ? 7.206 34.686 24.646 1.00 26.21 ? 5 DC E "C1'" 1 ATOM 1760 N N1 . DC C 2 5 ? 7.085 33.212 24.769 1.00 26.51 ? 5 DC E N1 1 ATOM 1761 C C2 . DC C 2 5 ? 7.142 32.427 23.616 1.00 25.69 ? 5 DC E C2 1 ATOM 1762 O O2 . DC C 2 5 ? 7.242 32.983 22.515 1.00 29.42 ? 5 DC E O2 1 ATOM 1763 N N3 . DC C 2 5 ? 7.067 31.085 23.732 1.00 25.93 ? 5 DC E N3 1 ATOM 1764 C C4 . DC C 2 5 ? 6.963 30.525 24.935 1.00 23.71 ? 5 DC E C4 1 ATOM 1765 N N4 . DC C 2 5 ? 6.901 29.196 24.995 1.00 23.54 ? 5 DC E N4 1 ATOM 1766 C C5 . DC C 2 5 ? 6.926 31.305 26.128 1.00 23.22 ? 5 DC E C5 1 ATOM 1767 C C6 . DC C 2 5 ? 6.996 32.635 26.002 1.00 23.15 ? 5 DC E C6 1 ATOM 1768 P P . DT C 2 6 ? 5.360 38.574 24.567 1.00 39.38 ? 6 DT E P 1 ATOM 1769 O OP1 . DT C 2 6 ? 5.657 39.872 23.936 1.00 43.05 ? 6 DT E OP1 1 ATOM 1770 O OP2 . DT C 2 6 ? 4.777 38.556 25.928 1.00 41.94 ? 6 DT E OP2 1 ATOM 1771 O "O5'" . DT C 2 6 ? 4.434 37.712 23.573 1.00 47.75 ? 6 DT E "O5'" 1 ATOM 1772 C "C5'" . DT C 2 6 ? 4.812 37.581 22.195 1.00 49.07 ? 6 DT E "C5'" 1 ATOM 1773 C "C4'" . DT C 2 6 ? 3.905 36.623 21.462 1.00 47.74 ? 6 DT E "C4'" 1 ATOM 1774 O "O4'" . DT C 2 6 ? 4.208 35.251 21.820 1.00 42.61 ? 6 DT E "O4'" 1 ATOM 1775 C "C3'" . DT C 2 6 ? 2.409 36.793 21.718 1.00 50.02 ? 6 DT E "C3'" 1 ATOM 1776 O "O3'" . DT C 2 6 ? 1.739 36.545 20.529 1.00 53.76 ? 6 DT E "O3'" 1 ATOM 1777 C "C2'" . DT C 2 6 ? 2.118 35.677 22.696 1.00 45.99 ? 6 DT E "C2'" 1 ATOM 1778 C "C1'" . DT C 2 6 ? 2.986 34.607 22.072 1.00 41.44 ? 6 DT E "C1'" 1 ATOM 1779 N N1 . DT C 2 6 ? 3.210 33.441 22.927 1.00 34.12 ? 6 DT E N1 1 ATOM 1780 C C2 . DT C 2 6 ? 3.404 32.220 22.327 1.00 28.01 ? 6 DT E C2 1 ATOM 1781 O O2 . DT C 2 6 ? 3.418 32.072 21.115 1.00 26.50 ? 6 DT E O2 1 ATOM 1782 N N3 . DT C 2 6 ? 3.588 31.189 23.192 1.00 24.25 ? 6 DT E N3 1 ATOM 1783 C C4 . DT C 2 6 ? 3.593 31.248 24.567 1.00 23.83 ? 6 DT E C4 1 ATOM 1784 O O4 . DT C 2 6 ? 3.767 30.260 25.251 1.00 28.24 ? 6 DT E O4 1 ATOM 1785 C C5 . DT C 2 6 ? 3.370 32.559 25.139 1.00 27.95 ? 6 DT E C5 1 ATOM 1786 C C7 . DT C 2 6 ? 3.355 32.747 26.626 1.00 31.50 ? 6 DT E C7 1 ATOM 1787 C C6 . DT C 2 6 ? 3.186 33.579 24.300 1.00 27.77 ? 6 DT E C6 1 ATOM 1788 P P . DA C 2 7 ? 0.849 37.689 19.868 1.00 50.95 ? 7 DA E P 1 ATOM 1789 O OP1 . DA C 2 7 ? 1.735 38.880 19.741 1.00 48.50 ? 7 DA E OP1 1 ATOM 1790 O OP2 . DA C 2 7 ? -0.431 37.730 20.609 1.00 50.76 ? 7 DA E OP2 1 ATOM 1791 O "O5'" . DA C 2 7 ? 0.534 37.108 18.427 1.00 39.08 ? 7 DA E "O5'" 1 ATOM 1792 C "C5'" . DA C 2 7 ? 1.559 36.488 17.693 1.00 34.13 ? 7 DA E "C5'" 1 ATOM 1793 C "C4'" . DA C 2 7 ? 1.027 35.263 16.986 1.00 32.99 ? 7 DA E "C4'" 1 ATOM 1794 O "O4'" . DA C 2 7 ? 1.114 34.113 17.862 1.00 30.55 ? 7 DA E "O4'" 1 ATOM 1795 C "C3'" . DA C 2 7 ? -0.426 35.357 16.563 1.00 31.13 ? 7 DA E "C3'" 1 ATOM 1796 O "O3'" . DA C 2 7 ? -0.584 34.688 15.335 1.00 33.33 ? 7 DA E "O3'" 1 ATOM 1797 C "C2'" . DA C 2 7 ? -1.174 34.655 17.703 1.00 31.39 ? 7 DA E "C2'" 1 ATOM 1798 C "C1'" . DA C 2 7 ? -0.178 33.576 18.112 1.00 31.31 ? 7 DA E "C1'" 1 ATOM 1799 N N9 . DA C 2 7 ? -0.216 33.237 19.528 1.00 31.22 ? 7 DA E N9 1 ATOM 1800 C C8 . DA C 2 7 ? -0.445 34.088 20.570 1.00 32.22 ? 7 DA E C8 1 ATOM 1801 N N7 . DA C 2 7 ? -0.358 33.518 21.747 1.00 32.67 ? 7 DA E N7 1 ATOM 1802 C C5 . DA C 2 7 ? -0.030 32.205 21.456 1.00 26.04 ? 7 DA E C5 1 ATOM 1803 C C6 . DA C 2 7 ? 0.200 31.080 22.271 1.00 22.84 ? 7 DA E C6 1 ATOM 1804 N N6 . DA C 2 7 ? 0.134 31.109 23.607 1.00 25.85 ? 7 DA E N6 1 ATOM 1805 N N1 . DA C 2 7 ? 0.513 29.931 21.664 1.00 20.96 ? 7 DA E N1 1 ATOM 1806 C C2 . DA C 2 7 ? 0.579 29.897 20.329 1.00 21.92 ? 7 DA E C2 1 ATOM 1807 N N3 . DA C 2 7 ? 0.383 30.882 19.456 1.00 22.48 ? 7 DA E N3 1 ATOM 1808 C C4 . DA C 2 7 ? 0.076 32.020 20.093 1.00 27.41 ? 7 DA E C4 1 ATOM 1809 P P . DG C 2 8 ? -1.945 34.822 14.502 1.00 43.18 ? 8 DG E P 1 ATOM 1810 O OP1 . DG C 2 8 ? -1.573 34.873 13.074 1.00 44.51 ? 8 DG E OP1 1 ATOM 1811 O OP2 . DG C 2 8 ? -2.801 35.854 15.122 1.00 45.43 ? 8 DG E OP2 1 ATOM 1812 O "O5'" . DG C 2 8 ? -2.659 33.420 14.756 1.00 37.78 ? 8 DG E "O5'" 1 ATOM 1813 C "C5'" . DG C 2 8 ? -1.945 32.243 14.500 1.00 35.65 ? 8 DG E "C5'" 1 ATOM 1814 C "C4'" . DG C 2 8 ? -2.592 31.081 15.202 1.00 35.05 ? 8 DG E "C4'" 1 ATOM 1815 O "O4'" . DG C 2 8 ? -2.345 31.168 16.624 1.00 34.93 ? 8 DG E "O4'" 1 ATOM 1816 C "C3'" . DG C 2 8 ? -4.112 30.989 15.032 1.00 37.81 ? 8 DG E "C3'" 1 ATOM 1817 O "O3'" . DG C 2 8 ? -4.400 29.726 14.471 1.00 41.12 ? 8 DG E "O3'" 1 ATOM 1818 C "C2'" . DG C 2 8 ? -4.650 31.134 16.465 1.00 35.19 ? 8 DG E "C2'" 1 ATOM 1819 C "C1'" . DG C 2 8 ? -3.461 30.650 17.279 1.00 33.26 ? 8 DG E "C1'" 1 ATOM 1820 N N9 . DG C 2 8 ? -3.441 31.080 18.676 1.00 26.11 ? 8 DG E N9 1 ATOM 1821 C C8 . DG C 2 8 ? -3.688 32.330 19.182 1.00 28.69 ? 8 DG E C8 1 ATOM 1822 N N7 . DG C 2 8 ? -3.584 32.391 20.483 1.00 28.67 ? 8 DG E N7 1 ATOM 1823 C C5 . DG C 2 8 ? -3.244 31.092 20.853 1.00 25.33 ? 8 DG E C5 1 ATOM 1824 C C6 . DG C 2 8 ? -3.002 30.536 22.128 1.00 23.85 ? 8 DG E C6 1 ATOM 1825 O O6 . DG C 2 8 ? -3.041 31.100 23.228 1.00 24.48 ? 8 DG E O6 1 ATOM 1826 N N1 . DG C 2 8 ? -2.681 29.170 22.044 1.00 21.27 ? 8 DG E N1 1 ATOM 1827 C C2 . DG C 2 8 ? -2.611 28.459 20.877 1.00 21.34 ? 8 DG E C2 1 ATOM 1828 N N2 . DG C 2 8 ? -2.285 27.160 20.977 1.00 21.29 ? 8 DG E N2 1 ATOM 1829 N N3 . DG C 2 8 ? -2.840 28.976 19.684 1.00 25.80 ? 8 DG E N3 1 ATOM 1830 C C4 . DG C 2 8 ? -3.151 30.285 19.750 1.00 25.01 ? 8 DG E C4 1 ATOM 1831 P P . DA C 2 9 ? -5.894 29.237 14.176 1.00 47.64 ? 9 DA E P 1 ATOM 1832 O OP1 . DA C 2 9 ? -5.993 29.103 12.709 1.00 50.94 ? 9 DA E OP1 1 ATOM 1833 O OP2 . DA C 2 9 ? -6.878 30.068 14.908 1.00 47.70 ? 9 DA E OP2 1 ATOM 1834 O "O5'" . DA C 2 9 ? -5.879 27.779 14.820 1.00 39.85 ? 9 DA E "O5'" 1 ATOM 1835 C "C5'" . DA C 2 9 ? -4.623 27.163 15.065 1.00 34.86 ? 9 DA E "C5'" 1 ATOM 1836 C "C4'" . DA C 2 9 ? -4.755 25.977 16.000 1.00 33.41 ? 9 DA E "C4'" 1 ATOM 1837 O "O4'" . DA C 2 9 ? -4.602 26.406 17.378 1.00 30.80 ? 9 DA E "O4'" 1 ATOM 1838 C "C3'" . DA C 2 9 ? -6.080 25.248 15.944 1.00 37.54 ? 9 DA E "C3'" 1 ATOM 1839 O "O3'" . DA C 2 9 ? -5.848 23.901 16.256 1.00 43.09 ? 9 DA E "O3'" 1 ATOM 1840 C "C2'" . DA C 2 9 ? -6.886 25.958 17.036 1.00 34.18 ? 9 DA E "C2'" 1 ATOM 1841 C "C1'" . DA C 2 9 ? -5.810 26.206 18.088 1.00 28.27 ? 9 DA E "C1'" 1 ATOM 1842 N N9 . DA C 2 9 ? -6.040 27.387 18.932 1.00 26.41 ? 9 DA E N9 1 ATOM 1843 C C8 . DA C 2 9 ? -6.370 28.646 18.515 1.00 24.26 ? 9 DA E C8 1 ATOM 1844 N N7 . DA C 2 9 ? -6.497 29.513 19.492 1.00 25.52 ? 9 DA E N7 1 ATOM 1845 C C5 . DA C 2 9 ? -6.216 28.778 20.632 1.00 23.68 ? 9 DA E C5 1 ATOM 1846 C C6 . DA C 2 9 ? -6.179 29.117 22.003 1.00 21.65 ? 9 DA E C6 1 ATOM 1847 N N6 . DA C 2 9 ? -6.426 30.343 22.468 1.00 21.69 ? 9 DA E N6 1 ATOM 1848 N N1 . DA C 2 9 ? -5.867 28.142 22.880 1.00 21.55 ? 9 DA E N1 1 ATOM 1849 C C2 . DA C 2 9 ? -5.608 26.914 22.411 1.00 21.54 ? 9 DA E C2 1 ATOM 1850 N N3 . DA C 2 9 ? -5.612 26.478 21.154 1.00 22.74 ? 9 DA E N3 1 ATOM 1851 C C4 . DA C 2 9 ? -5.936 27.462 20.306 1.00 24.45 ? 9 DA E C4 1 ATOM 1852 P P . DA C 2 10 ? -7.027 22.818 16.171 1.00 43.64 ? 10 DA E P 1 ATOM 1853 O OP1 . DA C 2 10 ? -6.409 21.606 15.597 1.00 47.35 ? 10 DA E OP1 1 ATOM 1854 O OP2 . DA C 2 10 ? -8.223 23.423 15.551 1.00 38.16 ? 10 DA E OP2 1 ATOM 1855 O "O5'" . DA C 2 10 ? -7.369 22.535 17.701 1.00 36.68 ? 10 DA E "O5'" 1 ATOM 1856 C "C5'" . DA C 2 10 ? -6.338 22.150 18.582 1.00 32.08 ? 10 DA E "C5'" 1 ATOM 1857 C "C4'" . DA C 2 10 ? -6.899 21.822 19.950 1.00 29.47 ? 10 DA E "C4'" 1 ATOM 1858 O "O4'" . DA C 2 10 ? -7.113 23.047 20.700 1.00 28.24 ? 10 DA E "O4'" 1 ATOM 1859 C "C3'" . DA C 2 10 ? -8.230 21.087 19.944 1.00 31.33 ? 10 DA E "C3'" 1 ATOM 1860 O "O3'" . DA C 2 10 ? -8.190 20.087 20.951 1.00 33.72 ? 10 DA E "O3'" 1 ATOM 1861 C "C2'" . DA C 2 10 ? -9.254 22.193 20.256 1.00 30.55 ? 10 DA E "C2'" 1 ATOM 1862 C "C1'" . DA C 2 10 ? -8.446 23.111 21.164 1.00 25.66 ? 10 DA E "C1'" 1 ATOM 1863 N N9 . DA C 2 10 ? -8.820 24.525 21.127 1.00 24.10 ? 10 DA E N9 1 ATOM 1864 C C8 . DA C 2 10 ? -9.100 25.282 20.025 1.00 23.88 ? 10 DA E C8 1 ATOM 1865 N N7 . DA C 2 10 ? -9.322 26.557 20.299 1.00 22.03 ? 10 DA E N7 1 ATOM 1866 C C5 . DA C 2 10 ? -9.145 26.633 21.667 1.00 21.93 ? 10 DA E C5 1 ATOM 1867 C C6 . DA C 2 10 ? -9.252 27.698 22.580 1.00 21.90 ? 10 DA E C6 1 ATOM 1868 N N6 . DA C 2 10 ? -9.551 28.949 22.219 1.00 21.97 ? 10 DA E N6 1 ATOM 1869 N N1 . DA C 2 10 ? -9.016 27.433 23.875 1.00 21.83 ? 10 DA E N1 1 ATOM 1870 C C2 . DA C 2 10 ? -8.697 26.184 24.233 1.00 21.79 ? 10 DA E C2 1 ATOM 1871 N N3 . DA C 2 10 ? -8.576 25.102 23.473 1.00 21.82 ? 10 DA E N3 1 ATOM 1872 C C4 . DA C 2 10 ? -8.822 25.394 22.190 1.00 21.88 ? 10 DA E C4 1 ATOM 1873 P P . DC C 2 11 ? -9.354 18.994 21.079 1.00 35.08 ? 11 DC E P 1 ATOM 1874 O OP1 . DC C 2 11 ? -8.736 17.834 21.756 1.00 39.37 ? 11 DC E OP1 1 ATOM 1875 O OP2 . DC C 2 11 ? -10.053 18.865 19.782 1.00 33.94 ? 11 DC E OP2 1 ATOM 1876 O "O5'" . DC C 2 11 ? -10.390 19.672 22.098 1.00 27.12 ? 11 DC E "O5'" 1 ATOM 1877 C "C5'" . DC C 2 11 ? -9.943 20.026 23.388 1.00 25.67 ? 11 DC E "C5'" 1 ATOM 1878 C "C4'" . DC C 2 11 ? -10.935 20.939 24.083 1.00 24.19 ? 11 DC E "C4'" 1 ATOM 1879 O "O4'" . DC C 2 11 ? -10.846 22.276 23.566 1.00 22.64 ? 11 DC E "O4'" 1 ATOM 1880 C "C3'" . DC C 2 11 ? -12.411 20.554 23.939 1.00 23.63 ? 11 DC E "C3'" 1 ATOM 1881 O "O3'" . DC C 2 11 ? -12.815 19.847 25.107 1.00 24.40 ? 11 DC E "O3'" 1 ATOM 1882 C "C2'" . DC C 2 11 ? -13.136 21.918 23.802 1.00 24.69 ? 11 DC E "C2'" 1 ATOM 1883 C "C1'" . DC C 2 11 ? -12.003 22.928 24.014 1.00 23.75 ? 11 DC E "C1'" 1 ATOM 1884 N N1 . DC C 2 11 ? -12.163 24.229 23.282 1.00 22.18 ? 11 DC E N1 1 ATOM 1885 C C2 . DC C 2 11 ? -12.171 25.420 24.012 1.00 22.14 ? 11 DC E C2 1 ATOM 1886 O O2 . DC C 2 11 ? -12.069 25.370 25.245 1.00 22.57 ? 11 DC E O2 1 ATOM 1887 N N3 . DC C 2 11 ? -12.313 26.594 23.349 1.00 22.16 ? 11 DC E N3 1 ATOM 1888 C C4 . DC C 2 11 ? -12.408 26.603 22.023 1.00 22.21 ? 11 DC E C4 1 ATOM 1889 N N4 . DC C 2 11 ? -12.537 27.784 21.416 1.00 22.26 ? 11 DC E N4 1 ATOM 1890 C C5 . DC C 2 11 ? -12.386 25.398 21.257 1.00 22.25 ? 11 DC E C5 1 ATOM 1891 C C6 . DC C 2 11 ? -12.254 24.244 21.925 1.00 22.35 ? 11 DC E C6 1 ATOM 1892 P P . DC C 2 12 ? -14.323 19.346 25.319 1.00 25.47 ? 12 DC E P 1 ATOM 1893 O OP1 . DC C 2 12 ? -14.236 18.209 26.274 1.00 29.19 ? 12 DC E OP1 1 ATOM 1894 O OP2 . DC C 2 12 ? -14.908 19.122 23.986 1.00 22.72 ? 12 DC E OP2 1 ATOM 1895 O "O5'" . DC C 2 12 ? -15.054 20.576 26.033 1.00 23.65 ? 12 DC E "O5'" 1 ATOM 1896 C "C5'" . DC C 2 12 ? -14.637 21.007 27.338 1.00 22.59 ? 12 DC E "C5'" 1 ATOM 1897 C "C4'" . DC C 2 12 ? -15.212 22.374 27.679 1.00 24.65 ? 12 DC E "C4'" 1 ATOM 1898 O "O4'" . DC C 2 12 ? -14.703 23.350 26.764 1.00 23.65 ? 12 DC E "O4'" 1 ATOM 1899 C "C3'" . DC C 2 12 ? -16.713 22.495 27.534 1.00 24.82 ? 12 DC E "C3'" 1 ATOM 1900 O "O3'" . DC C 2 12 ? -17.369 22.040 28.714 1.00 28.48 ? 12 DC E "O3'" 1 ATOM 1901 C "C2'" . DC C 2 12 ? -16.922 23.999 27.331 1.00 22.64 ? 12 DC E "C2'" 1 ATOM 1902 C "C1'" . DC C 2 12 ? -15.559 24.476 26.817 1.00 22.49 ? 12 DC E "C1'" 1 ATOM 1903 N N1 . DC C 2 12 ? -15.618 25.091 25.494 1.00 22.46 ? 12 DC E N1 1 ATOM 1904 C C2 . DC C 2 12 ? -15.602 26.475 25.413 1.00 22.44 ? 12 DC E C2 1 ATOM 1905 O O2 . DC C 2 12 ? -15.539 27.116 26.460 1.00 22.64 ? 12 DC E O2 1 ATOM 1906 N N3 . DC C 2 12 ? -15.645 27.066 24.202 1.00 22.45 ? 12 DC E N3 1 ATOM 1907 C C4 . DC C 2 12 ? -15.715 26.329 23.107 1.00 22.46 ? 12 DC E C4 1 ATOM 1908 N N4 . DC C 2 12 ? -15.755 26.958 21.934 1.00 22.50 ? 12 DC E N4 1 ATOM 1909 C C5 . DC C 2 12 ? -15.736 24.893 23.164 1.00 22.48 ? 12 DC E C5 1 ATOM 1910 C C6 . DC C 2 12 ? -15.683 24.327 24.371 1.00 22.47 ? 12 DC E C6 1 ATOM 1911 O "O5'" . DG D 2 1 ? -18.429 37.422 23.332 1.00 26.48 ? 1 DG F "O5'" 1 ATOM 1912 C "C5'" . DG D 2 1 ? -17.075 37.603 23.710 1.00 23.16 ? 1 DG F "C5'" 1 ATOM 1913 C "C4'" . DG D 2 1 ? -16.836 37.069 25.106 1.00 22.48 ? 1 DG F "C4'" 1 ATOM 1914 O "O4'" . DG D 2 1 ? -16.985 35.614 25.092 1.00 20.16 ? 1 DG F "O4'" 1 ATOM 1915 C "C3'" . DG D 2 1 ? -15.439 37.313 25.645 1.00 18.60 ? 1 DG F "C3'" 1 ATOM 1916 O "O3'" . DG D 2 1 ? -15.485 37.290 27.066 1.00 22.18 ? 1 DG F "O3'" 1 ATOM 1917 C "C2'" . DG D 2 1 ? -14.672 36.118 25.080 1.00 18.45 ? 1 DG F "C2'" 1 ATOM 1918 C "C1'" . DG D 2 1 ? -15.710 35.006 25.219 1.00 17.39 ? 1 DG F "C1'" 1 ATOM 1919 N N9 . DG D 2 1 ? -15.617 33.969 24.207 1.00 21.66 ? 1 DG F N9 1 ATOM 1920 C C8 . DG D 2 1 ? -15.551 34.126 22.843 1.00 19.63 ? 1 DG F C8 1 ATOM 1921 N N7 . DG D 2 1 ? -15.521 32.990 22.197 1.00 20.11 ? 1 DG F N7 1 ATOM 1922 C C5 . DG D 2 1 ? -15.581 32.028 23.199 1.00 18.97 ? 1 DG F C5 1 ATOM 1923 C C6 . DG D 2 1 ? -15.586 30.609 23.116 1.00 18.18 ? 1 DG F C6 1 ATOM 1924 O O6 . DG D 2 1 ? -15.513 29.893 22.107 1.00 21.52 ? 1 DG F O6 1 ATOM 1925 N N1 . DG D 2 1 ? -15.658 30.020 24.374 1.00 20.41 ? 1 DG F N1 1 ATOM 1926 C C2 . DG D 2 1 ? -15.729 30.709 25.560 1.00 22.20 ? 1 DG F C2 1 ATOM 1927 N N2 . DG D 2 1 ? -15.810 29.969 26.673 1.00 24.26 ? 1 DG F N2 1 ATOM 1928 N N3 . DG D 2 1 ? -15.733 32.034 25.650 1.00 20.05 ? 1 DG F N3 1 ATOM 1929 C C4 . DG D 2 1 ? -15.660 32.619 24.434 1.00 17.68 ? 1 DG F C4 1 ATOM 1930 P P . DG D 2 2 ? -14.174 37.470 27.976 1.00 22.71 ? 2 DG F P 1 ATOM 1931 O OP1 . DG D 2 2 ? -14.648 38.127 29.221 1.00 25.23 ? 2 DG F OP1 1 ATOM 1932 O OP2 . DG D 2 2 ? -13.001 38.000 27.234 1.00 19.08 ? 2 DG F OP2 1 ATOM 1933 O "O5'" . DG D 2 2 ? -13.779 35.976 28.371 1.00 23.06 ? 2 DG F "O5'" 1 ATOM 1934 C "C5'" . DG D 2 2 ? -14.565 35.282 29.298 1.00 20.65 ? 2 DG F "C5'" 1 ATOM 1935 C "C4'" . DG D 2 2 ? -13.819 34.071 29.807 1.00 23.58 ? 2 DG F "C4'" 1 ATOM 1936 O "O4'" . DG D 2 2 ? -13.756 33.065 28.774 1.00 22.90 ? 2 DG F "O4'" 1 ATOM 1937 C "C3'" . DG D 2 2 ? -12.387 34.330 30.232 1.00 21.69 ? 2 DG F "C3'" 1 ATOM 1938 O "O3'" . DG D 2 2 ? -12.159 33.558 31.369 1.00 26.66 ? 2 DG F "O3'" 1 ATOM 1939 C "C2'" . DG D 2 2 ? -11.574 33.844 29.017 1.00 22.85 ? 2 DG F "C2'" 1 ATOM 1940 C "C1'" . DG D 2 2 ? -12.422 32.671 28.543 1.00 23.11 ? 2 DG F "C1'" 1 ATOM 1941 N N9 . DG D 2 2 ? -12.330 32.355 27.116 1.00 20.49 ? 2 DG F N9 1 ATOM 1942 C C8 . DG D 2 2 ? -12.343 33.241 26.072 1.00 20.70 ? 2 DG F C8 1 ATOM 1943 N N7 . DG D 2 2 ? -12.316 32.666 24.901 1.00 18.51 ? 2 DG F N7 1 ATOM 1944 C C5 . DG D 2 2 ? -12.310 31.307 25.183 1.00 18.24 ? 2 DG F C5 1 ATOM 1945 C C6 . DG D 2 2 ? -12.295 30.198 24.305 1.00 20.97 ? 2 DG F C6 1 ATOM 1946 O O6 . DG D 2 2 ? -12.274 30.204 23.065 1.00 19.88 ? 2 DG F O6 1 ATOM 1947 N N1 . DG D 2 2 ? -12.294 28.982 25.002 1.00 17.38 ? 2 DG F N1 1 ATOM 1948 C C2 . DG D 2 2 ? -12.325 28.866 26.375 1.00 21.16 ? 2 DG F C2 1 ATOM 1949 N N2 . DG D 2 2 ? -12.322 27.613 26.872 1.00 24.15 ? 2 DG F N2 1 ATOM 1950 N N3 . DG D 2 2 ? -12.348 29.911 27.206 1.00 20.44 ? 2 DG F N3 1 ATOM 1951 C C4 . DG D 2 2 ? -12.338 31.091 26.540 1.00 18.71 ? 2 DG F C4 1 ATOM 1952 P P . DT D 2 3 ? -10.858 33.759 32.272 1.00 34.22 ? 3 DT F P 1 ATOM 1953 O OP1 . DT D 2 3 ? -11.348 33.749 33.669 1.00 39.36 ? 3 DT F OP1 1 ATOM 1954 O OP2 . DT D 2 3 ? -10.077 34.907 31.748 1.00 35.58 ? 3 DT F OP2 1 ATOM 1955 O "O5'" . DT D 2 3 ? -10.030 32.430 32.012 1.00 33.52 ? 3 DT F "O5'" 1 ATOM 1956 C "C5'" . DT D 2 3 ? -10.634 31.167 32.266 1.00 36.24 ? 3 DT F "C5'" 1 ATOM 1957 C "C4'" . DT D 2 3 ? -9.857 30.032 31.621 1.00 36.49 ? 3 DT F "C4'" 1 ATOM 1958 O "O4'" . DT D 2 3 ? -10.040 30.046 30.197 1.00 34.74 ? 3 DT F "O4'" 1 ATOM 1959 C "C3'" . DT D 2 3 ? -8.337 30.033 31.855 1.00 36.33 ? 3 DT F "C3'" 1 ATOM 1960 O "O3'" . DT D 2 3 ? -8.012 28.959 32.712 1.00 40.08 ? 3 DT F "O3'" 1 ATOM 1961 C "C2'" . DT D 2 3 ? -7.725 29.853 30.447 1.00 34.62 ? 3 DT F "C2'" 1 ATOM 1962 C "C1'" . DT D 2 3 ? -8.925 29.412 29.615 1.00 32.04 ? 3 DT F "C1'" 1 ATOM 1963 N N1 . DT D 2 3 ? -8.883 29.819 28.183 1.00 25.82 ? 3 DT F N1 1 ATOM 1964 C C2 . DT D 2 3 ? -8.920 28.841 27.215 1.00 25.60 ? 3 DT F C2 1 ATOM 1965 O O2 . DT D 2 3 ? -8.935 27.650 27.471 1.00 28.12 ? 3 DT F O2 1 ATOM 1966 N N3 . DT D 2 3 ? -8.917 29.308 25.932 1.00 22.43 ? 3 DT F N3 1 ATOM 1967 C C4 . DT D 2 3 ? -8.892 30.623 25.528 1.00 20.64 ? 3 DT F C4 1 ATOM 1968 O O4 . DT D 2 3 ? -8.889 30.945 24.351 1.00 22.62 ? 3 DT F O4 1 ATOM 1969 C C5 . DT D 2 3 ? -8.862 31.601 26.593 1.00 25.37 ? 3 DT F C5 1 ATOM 1970 C C7 . DT D 2 3 ? -8.828 33.064 26.267 1.00 29.59 ? 3 DT F C7 1 ATOM 1971 C C6 . DT D 2 3 ? -8.865 31.155 27.857 1.00 23.55 ? 3 DT F C6 1 ATOM 1972 P P . DT D 2 4 ? -6.491 28.644 33.131 1.00 49.66 ? 4 DT F P 1 ATOM 1973 O OP1 . DT D 2 4 ? -6.558 28.044 34.478 1.00 49.34 ? 4 DT F OP1 1 ATOM 1974 O OP2 . DT D 2 4 ? -5.625 29.809 32.861 1.00 49.04 ? 4 DT F OP2 1 ATOM 1975 O "O5'" . DT D 2 4 ? -6.040 27.517 32.095 1.00 40.55 ? 4 DT F "O5'" 1 ATOM 1976 C "C5'" . DT D 2 4 ? -6.811 26.347 31.937 1.00 35.41 ? 4 DT F "C5'" 1 ATOM 1977 C "C4'" . DT D 2 4 ? -6.306 25.534 30.754 1.00 34.05 ? 4 DT F "C4'" 1 ATOM 1978 O "O4'" . DT D 2 4 ? -6.567 26.250 29.527 1.00 30.82 ? 4 DT F "O4'" 1 ATOM 1979 C "C3'" . DT D 2 4 ? -4.804 25.210 30.762 1.00 35.21 ? 4 DT F "C3'" 1 ATOM 1980 O "O3'" . DT D 2 4 ? -4.643 23.807 30.593 1.00 36.56 ? 4 DT F "O3'" 1 ATOM 1981 C "C2'" . DT D 2 4 ? -4.244 26.007 29.572 1.00 31.66 ? 4 DT F "C2'" 1 ATOM 1982 C "C1'" . DT D 2 4 ? -5.465 26.136 28.668 1.00 27.99 ? 4 DT F "C1'" 1 ATOM 1983 N N1 . DT D 2 4 ? -5.475 27.339 27.776 1.00 23.47 ? 4 DT F N1 1 ATOM 1984 C C2 . DT D 2 4 ? -5.666 27.161 26.423 1.00 23.65 ? 4 DT F C2 1 ATOM 1985 O O2 . DT D 2 4 ? -5.800 26.065 25.904 1.00 23.05 ? 4 DT F O2 1 ATOM 1986 N N3 . DT D 2 4 ? -5.692 28.307 25.695 1.00 23.79 ? 4 DT F N3 1 ATOM 1987 C C4 . DT D 2 4 ? -5.552 29.595 26.162 1.00 20.88 ? 4 DT F C4 1 ATOM 1988 O O4 . DT D 2 4 ? -5.595 30.568 25.411 1.00 21.72 ? 4 DT F O4 1 ATOM 1989 C C5 . DT D 2 4 ? -5.354 29.718 27.590 1.00 20.95 ? 4 DT F C5 1 ATOM 1990 C C7 . DT D 2 4 ? -5.197 31.074 28.217 1.00 24.00 ? 4 DT F C7 1 ATOM 1991 C C6 . DT D 2 4 ? -5.330 28.598 28.320 1.00 21.65 ? 4 DT F C6 1 ATOM 1992 P P . DC D 2 5 ? -3.198 23.106 30.622 1.00 36.64 ? 5 DC F P 1 ATOM 1993 O OP1 . DC D 2 5 ? -3.416 21.786 31.248 1.00 38.50 ? 5 DC F OP1 1 ATOM 1994 O OP2 . DC D 2 5 ? -2.185 24.032 31.180 1.00 39.34 ? 5 DC F OP2 1 ATOM 1995 O "O5'" . DC D 2 5 ? -2.861 22.913 29.073 1.00 31.85 ? 5 DC F "O5'" 1 ATOM 1996 C "C5'" . DC D 2 5 ? -3.817 22.270 28.231 1.00 34.79 ? 5 DC F "C5'" 1 ATOM 1997 C "C4'" . DC D 2 5 ? -3.430 22.382 26.766 1.00 35.30 ? 5 DC F "C4'" 1 ATOM 1998 O "O4'" . DC D 2 5 ? -3.557 23.758 26.314 1.00 33.31 ? 5 DC F "O4'" 1 ATOM 1999 C "C3'" . DC D 2 5 ? -2.001 21.948 26.427 1.00 36.59 ? 5 DC F "C3'" 1 ATOM 2000 O "O3'" . DC D 2 5 ? -2.052 21.061 25.313 1.00 39.16 ? 5 DC F "O3'" 1 ATOM 2001 C "C2'" . DC D 2 5 ? -1.285 23.274 26.094 1.00 34.72 ? 5 DC F "C2'" 1 ATOM 2002 C "C1'" . DC D 2 5 ? -2.437 24.097 25.533 1.00 30.89 ? 5 DC F "C1'" 1 ATOM 2003 N N1 . DC D 2 5 ? -2.285 25.587 25.612 1.00 25.33 ? 5 DC F N1 1 ATOM 2004 C C2 . DC D 2 5 ? -2.384 26.337 24.449 1.00 23.88 ? 5 DC F C2 1 ATOM 2005 O O2 . DC D 2 5 ? -2.528 25.747 23.375 1.00 24.69 ? 5 DC F O2 1 ATOM 2006 N N3 . DC D 2 5 ? -2.304 27.694 24.525 1.00 23.49 ? 5 DC F N3 1 ATOM 2007 C C4 . DC D 2 5 ? -2.144 28.283 25.709 1.00 26.53 ? 5 DC F C4 1 ATOM 2008 N N4 . DC D 2 5 ? -2.073 29.620 25.741 1.00 29.66 ? 5 DC F N4 1 ATOM 2009 C C5 . DC D 2 5 ? -2.052 27.526 26.916 1.00 26.59 ? 5 DC F C5 1 ATOM 2010 C C6 . DC D 2 5 ? -2.141 26.194 26.821 1.00 27.45 ? 5 DC F C6 1 ATOM 2011 P P . DT D 2 6 ? -0.789 20.135 24.939 1.00 43.55 ? 6 DT F P 1 ATOM 2012 O OP1 . DT D 2 6 ? -1.318 18.883 24.352 1.00 46.12 ? 6 DT F OP1 1 ATOM 2013 O OP2 . DT D 2 6 ? 0.141 20.141 26.091 1.00 42.92 ? 6 DT F OP2 1 ATOM 2014 O "O5'" . DT D 2 6 ? -0.093 20.937 23.759 1.00 37.61 ? 6 DT F "O5'" 1 ATOM 2015 C "C5'" . DT D 2 6 ? -0.800 21.109 22.560 1.00 36.94 ? 6 DT F "C5'" 1 ATOM 2016 C "C4'" . DT D 2 6 ? -0.014 21.967 21.603 1.00 38.26 ? 6 DT F "C4'" 1 ATOM 2017 O "O4'" . DT D 2 6 ? -0.134 23.358 21.987 1.00 34.83 ? 6 DT F "O4'" 1 ATOM 2018 C "C3'" . DT D 2 6 ? 1.493 21.676 21.527 1.00 41.90 ? 6 DT F "C3'" 1 ATOM 2019 O "O3'" . DT D 2 6 ? 1.860 21.768 20.191 1.00 48.48 ? 6 DT F "O3'" 1 ATOM 2020 C "C2'" . DT D 2 6 ? 2.091 22.847 22.316 1.00 39.15 ? 6 DT F "C2'" 1 ATOM 2021 C "C1'" . DT D 2 6 ? 1.135 23.950 21.886 1.00 34.58 ? 6 DT F "C1'" 1 ATOM 2022 N N1 . DT D 2 6 ? 1.146 25.183 22.721 1.00 27.77 ? 6 DT F N1 1 ATOM 2023 C C2 . DT D 2 6 ? 0.964 26.397 22.104 1.00 23.20 ? 6 DT F C2 1 ATOM 2024 O O2 . DT D 2 6 ? 0.822 26.513 20.904 1.00 24.12 ? 6 DT F O2 1 ATOM 2025 N N3 . DT D 2 6 ? 0.969 27.476 22.940 1.00 24.03 ? 6 DT F N3 1 ATOM 2026 C C4 . DT D 2 6 ? 1.133 27.466 24.308 1.00 25.14 ? 6 DT F C4 1 ATOM 2027 O O4 . DT D 2 6 ? 1.132 28.494 24.973 1.00 25.68 ? 6 DT F O4 1 ATOM 2028 C C5 . DT D 2 6 ? 1.325 26.162 24.899 1.00 29.06 ? 6 DT F C5 1 ATOM 2029 C C7 . DT D 2 6 ? 1.511 26.028 26.380 1.00 33.97 ? 6 DT F C7 1 ATOM 2030 C C6 . DT D 2 6 ? 1.309 25.092 24.088 1.00 27.85 ? 6 DT F C6 1 ATOM 2031 P P . DA D 2 7 ? 2.576 20.573 19.394 1.00 48.67 ? 7 DA F P 1 ATOM 2032 O OP1 . DA D 2 7 ? 1.544 19.742 18.737 1.00 47.92 ? 7 DA F OP1 1 ATOM 2033 O OP2 . DA D 2 7 ? 3.635 19.954 20.216 1.00 41.54 ? 7 DA F OP2 1 ATOM 2034 O "O5'" . DA D 2 7 ? 3.284 21.392 18.231 1.00 35.98 ? 7 DA F "O5'" 1 ATOM 2035 C "C5'" . DA D 2 7 ? 2.505 22.284 17.483 1.00 34.23 ? 7 DA F "C5'" 1 ATOM 2036 C "C4'" . DA D 2 7 ? 3.310 23.504 17.137 1.00 27.67 ? 7 DA F "C4'" 1 ATOM 2037 O "O4'" . DA D 2 7 ? 3.274 24.438 18.234 1.00 27.51 ? 7 DA F "O4'" 1 ATOM 2038 C "C3'" . DA D 2 7 ? 4.778 23.220 16.845 1.00 27.04 ? 7 DA F "C3'" 1 ATOM 2039 O "O3'" . DA D 2 7 ? 5.031 23.627 15.523 1.00 29.27 ? 7 DA F "O3'" 1 ATOM 2040 C "C2'" . DA D 2 7 ? 5.555 24.050 17.891 1.00 30.79 ? 7 DA F "C2'" 1 ATOM 2041 C "C1'" . DA D 2 7 ? 4.514 25.075 18.349 1.00 30.17 ? 7 DA F "C1'" 1 ATOM 2042 N N9 . DA D 2 7 ? 4.620 25.468 19.744 1.00 31.55 ? 7 DA F N9 1 ATOM 2043 C C8 . DA D 2 7 ? 4.907 24.661 20.801 1.00 32.24 ? 7 DA F C8 1 ATOM 2044 N N7 . DA D 2 7 ? 4.878 25.273 21.957 1.00 32.30 ? 7 DA F N7 1 ATOM 2045 C C5 . DA D 2 7 ? 4.524 26.572 21.638 1.00 26.04 ? 7 DA F C5 1 ATOM 2046 C C6 . DA D 2 7 ? 4.324 27.718 22.426 1.00 24.25 ? 7 DA F C6 1 ATOM 2047 N N6 . DA D 2 7 ? 4.457 27.725 23.759 1.00 25.93 ? 7 DA F N6 1 ATOM 2048 N N1 . DA D 2 7 ? 3.970 28.850 21.796 1.00 20.42 ? 7 DA F N1 1 ATOM 2049 C C2 . DA D 2 7 ? 3.840 28.836 20.463 1.00 21.51 ? 7 DA F C2 1 ATOM 2050 N N3 . DA D 2 7 ? 4.002 27.814 19.617 1.00 24.40 ? 7 DA F N3 1 ATOM 2051 C C4 . DA D 2 7 ? 4.345 26.707 20.277 1.00 25.21 ? 7 DA F C4 1 ATOM 2052 P P . DG D 2 8 ? 6.460 23.446 14.838 1.00 27.89 ? 8 DG F P 1 ATOM 2053 O OP1 . DG D 2 8 ? 6.209 23.073 13.434 1.00 31.41 ? 8 DG F OP1 1 ATOM 2054 O OP2 . DG D 2 8 ? 7.369 22.670 15.714 1.00 32.97 ? 8 DG F OP2 1 ATOM 2055 O "O5'" . DG D 2 8 ? 7.013 24.931 14.800 1.00 27.76 ? 8 DG F "O5'" 1 ATOM 2056 C "C5'" . DG D 2 8 ? 6.159 25.928 14.305 1.00 29.88 ? 8 DG F "C5'" 1 ATOM 2057 C "C4'" . DG D 2 8 ? 6.726 27.278 14.607 1.00 29.47 ? 8 DG F "C4'" 1 ATOM 2058 O "O4'" . DG D 2 8 ? 6.575 27.549 16.020 1.00 29.99 ? 8 DG F "O4'" 1 ATOM 2059 C "C3'" . DG D 2 8 ? 8.211 27.406 14.305 1.00 31.48 ? 8 DG F "C3'" 1 ATOM 2060 O "O3'" . DG D 2 8 ? 8.437 28.645 13.706 1.00 33.96 ? 8 DG F "O3'" 1 ATOM 2061 C "C2'" . DG D 2 8 ? 8.860 27.303 15.688 1.00 34.15 ? 8 DG F "C2'" 1 ATOM 2062 C "C1'" . DG D 2 8 ? 7.806 27.978 16.542 1.00 29.60 ? 8 DG F "C1'" 1 ATOM 2063 N N9 . DG D 2 8 ? 7.836 27.629 17.956 1.00 26.94 ? 8 DG F N9 1 ATOM 2064 C C8 . DG D 2 8 ? 8.047 26.392 18.514 1.00 28.92 ? 8 DG F C8 1 ATOM 2065 N N7 . DG D 2 8 ? 7.985 26.397 19.820 1.00 29.12 ? 8 DG F N7 1 ATOM 2066 C C5 . DG D 2 8 ? 7.692 27.720 20.140 1.00 27.86 ? 8 DG F C5 1 ATOM 2067 C C6 . DG D 2 8 ? 7.502 28.341 21.398 1.00 23.45 ? 8 DG F C6 1 ATOM 2068 O O6 . DG D 2 8 ? 7.551 27.832 22.521 1.00 26.19 ? 8 DG F O6 1 ATOM 2069 N N1 . DG D 2 8 ? 7.238 29.695 21.266 1.00 22.62 ? 8 DG F N1 1 ATOM 2070 C C2 . DG D 2 8 ? 7.156 30.366 20.072 1.00 22.51 ? 8 DG F C2 1 ATOM 2071 N N2 . DG D 2 8 ? 6.885 31.674 20.138 1.00 27.98 ? 8 DG F N2 1 ATOM 2072 N N3 . DG D 2 8 ? 7.330 29.800 18.894 1.00 24.34 ? 8 DG F N3 1 ATOM 2073 C C4 . DG D 2 8 ? 7.589 28.482 19.003 1.00 24.21 ? 8 DG F C4 1 ATOM 2074 P P . DA D 2 9 ? 9.870 29.008 13.073 1.00 39.34 ? 9 DA F P 1 ATOM 2075 O OP1 . DA D 2 9 ? 9.627 29.307 11.645 1.00 40.78 ? 9 DA F OP1 1 ATOM 2076 O OP2 . DA D 2 9 ? 10.908 28.056 13.525 1.00 35.95 ? 9 DA F OP2 1 ATOM 2077 O "O5'" . DA D 2 9 ? 10.249 30.354 13.820 1.00 34.84 ? 9 DA F "O5'" 1 ATOM 2078 C "C5'" . DA D 2 9 ? 9.275 31.340 14.003 1.00 34.13 ? 9 DA F "C5'" 1 ATOM 2079 C "C4'" . DA D 2 9 ? 9.701 32.290 15.096 1.00 32.82 ? 9 DA F "C4'" 1 ATOM 2080 O "O4'" . DA D 2 9 ? 9.561 31.641 16.382 1.00 34.43 ? 9 DA F "O4'" 1 ATOM 2081 C "C3'" . DA D 2 9 ? 11.144 32.776 15.005 1.00 32.32 ? 9 DA F "C3'" 1 ATOM 2082 O "O3'" . DA D 2 9 ? 11.142 34.192 15.182 1.00 28.22 ? 9 DA F "O3'" 1 ATOM 2083 C "C2'" . DA D 2 9 ? 11.849 32.038 16.152 1.00 30.75 ? 9 DA F "C2'" 1 ATOM 2084 C "C1'" . DA D 2 9 ? 10.715 31.846 17.153 1.00 29.86 ? 9 DA F "C1'" 1 ATOM 2085 N N9 . DA D 2 9 ? 10.866 30.684 18.038 1.00 23.51 ? 9 DA F N9 1 ATOM 2086 C C8 . DA D 2 9 ? 11.130 29.396 17.670 1.00 25.72 ? 9 DA F C8 1 ATOM 2087 N N7 . DA D 2 9 ? 11.179 28.552 18.681 1.00 27.00 ? 9 DA F N7 1 ATOM 2088 C C5 . DA D 2 9 ? 10.929 29.344 19.784 1.00 20.48 ? 9 DA F C5 1 ATOM 2089 C C6 . DA D 2 9 ? 10.846 29.053 21.165 1.00 20.87 ? 9 DA F C6 1 ATOM 2090 N N6 . DA D 2 9 ? 11.021 27.832 21.675 1.00 21.92 ? 9 DA F N6 1 ATOM 2091 N N1 . DA D 2 9 ? 10.578 30.073 22.001 1.00 20.85 ? 9 DA F N1 1 ATOM 2092 C C2 . DA D 2 9 ? 10.401 31.298 21.490 1.00 22.35 ? 9 DA F C2 1 ATOM 2093 N N3 . DA D 2 9 ? 10.450 31.693 20.216 1.00 22.74 ? 9 DA F N3 1 ATOM 2094 C C4 . DA D 2 9 ? 10.724 30.659 19.408 1.00 18.83 ? 9 DA F C4 1 ATOM 2095 P P . DA D 2 10 ? 12.479 35.075 15.057 1.00 29.95 ? 10 DA F P 1 ATOM 2096 O OP1 . DA D 2 10 ? 12.040 36.341 14.421 1.00 32.06 ? 10 DA F OP1 1 ATOM 2097 O OP2 . DA D 2 10 ? 13.586 34.293 14.458 1.00 32.14 ? 10 DA F OP2 1 ATOM 2098 O "O5'" . DA D 2 10 ? 12.910 35.335 16.573 1.00 33.13 ? 10 DA F "O5'" 1 ATOM 2099 C "C5'" . DA D 2 10 ? 12.490 36.494 17.220 1.00 34.96 ? 10 DA F "C5'" 1 ATOM 2100 C "C4'" . DA D 2 10 ? 12.795 36.454 18.706 1.00 29.11 ? 10 DA F "C4'" 1 ATOM 2101 O "O4'" . DA D 2 10 ? 12.623 35.117 19.233 1.00 26.46 ? 10 DA F "O4'" 1 ATOM 2102 C "C3'" . DA D 2 10 ? 14.190 36.926 19.117 1.00 25.67 ? 10 DA F "C3'" 1 ATOM 2103 O "O3'" . DA D 2 10 ? 14.018 37.890 20.112 1.00 25.39 ? 10 DA F "O3'" 1 ATOM 2104 C "C2'" . DA D 2 10 ? 14.861 35.657 19.668 1.00 23.74 ? 10 DA F "C2'" 1 ATOM 2105 C "C1'" . DA D 2 10 ? 13.658 34.838 20.142 1.00 23.41 ? 10 DA F "C1'" 1 ATOM 2106 N N9 . DA D 2 10 ? 13.862 33.383 20.152 1.00 21.30 ? 10 DA F N9 1 ATOM 2107 C C8 . DA D 2 10 ? 14.141 32.575 19.078 1.00 19.50 ? 10 DA F C8 1 ATOM 2108 N N7 . DA D 2 10 ? 14.249 31.308 19.377 1.00 20.47 ? 10 DA F N7 1 ATOM 2109 C C5 . DA D 2 10 ? 14.012 31.267 20.739 1.00 19.59 ? 10 DA F C5 1 ATOM 2110 C C6 . DA D 2 10 ? 13.978 30.203 21.667 1.00 18.78 ? 10 DA F C6 1 ATOM 2111 N N6 . DA D 2 10 ? 14.202 28.916 21.342 1.00 21.03 ? 10 DA F N6 1 ATOM 2112 N N1 . DA D 2 10 ? 13.696 30.513 22.950 1.00 19.70 ? 10 DA F N1 1 ATOM 2113 C C2 . DA D 2 10 ? 13.486 31.793 23.277 1.00 21.64 ? 10 DA F C2 1 ATOM 2114 N N3 . DA D 2 10 ? 13.490 32.869 22.498 1.00 21.07 ? 10 DA F N3 1 ATOM 2115 C C4 . DA D 2 10 ? 13.761 32.536 21.230 1.00 19.84 ? 10 DA F C4 1 ATOM 2116 P P . DC D 2 11 ? 15.187 38.888 20.540 1.00 25.22 ? 11 DC F P 1 ATOM 2117 O OP1 . DC D 2 11 ? 14.554 40.154 20.953 1.00 24.99 ? 11 DC F OP1 1 ATOM 2118 O OP2 . DC D 2 11 ? 16.255 38.902 19.506 1.00 25.73 ? 11 DC F OP2 1 ATOM 2119 O "O5'" . DC D 2 11 ? 15.763 38.213 21.863 1.00 27.54 ? 11 DC F "O5'" 1 ATOM 2120 C "C5'" . DC D 2 11 ? 14.903 38.003 22.975 1.00 26.40 ? 11 DC F "C5'" 1 ATOM 2121 C "C4'" . DC D 2 11 ? 15.563 37.088 23.974 1.00 24.89 ? 11 DC F "C4'" 1 ATOM 2122 O "O4'" . DC D 2 11 ? 15.532 35.738 23.469 1.00 23.43 ? 11 DC F "O4'" 1 ATOM 2123 C "C3'" . DC D 2 11 ? 17.046 37.391 24.240 1.00 24.14 ? 11 DC F "C3'" 1 ATOM 2124 O "O3'" . DC D 2 11 ? 17.207 37.936 25.549 1.00 24.37 ? 11 DC F "O3'" 1 ATOM 2125 C "C2'" . DC D 2 11 ? 17.757 36.030 24.090 1.00 24.36 ? 11 DC F "C2'" 1 ATOM 2126 C "C1'" . DC D 2 11 ? 16.594 35.043 24.044 1.00 23.38 ? 11 DC F "C1'" 1 ATOM 2127 N N1 . DC D 2 11 ? 16.850 33.827 23.216 1.00 19.39 ? 11 DC F N1 1 ATOM 2128 C C2 . DC D 2 11 ? 16.764 32.574 23.824 1.00 21.74 ? 11 DC F C2 1 ATOM 2129 O O2 . DC D 2 11 ? 16.498 32.518 25.030 1.00 21.03 ? 11 DC F O2 1 ATOM 2130 N N3 . DC D 2 11 ? 16.992 31.465 23.081 1.00 21.78 ? 11 DC F N3 1 ATOM 2131 C C4 . DC D 2 11 ? 17.273 31.579 21.781 1.00 17.03 ? 11 DC F C4 1 ATOM 2132 N N4 . DC D 2 11 ? 17.479 30.455 21.091 1.00 17.08 ? 11 DC F N4 1 ATOM 2133 C C5 . DC D 2 11 ? 17.366 32.849 21.135 1.00 16.40 ? 11 DC F C5 1 ATOM 2134 C C6 . DC D 2 11 ? 17.138 33.942 21.887 1.00 18.72 ? 11 DC F C6 1 ATOM 2135 P P . DC D 2 12 ? 18.640 38.468 26.040 1.00 26.12 ? 12 DC F P 1 ATOM 2136 O OP1 . DC D 2 12 ? 18.399 39.503 27.069 1.00 32.87 ? 12 DC F OP1 1 ATOM 2137 O OP2 . DC D 2 12 ? 19.439 38.796 24.850 1.00 24.87 ? 12 DC F OP2 1 ATOM 2138 O "O5'" . DC D 2 12 ? 19.296 37.201 26.739 1.00 26.83 ? 12 DC F "O5'" 1 ATOM 2139 C "C5'" . DC D 2 12 ? 18.672 36.613 27.869 1.00 26.88 ? 12 DC F "C5'" 1 ATOM 2140 C "C4'" . DC D 2 12 ? 19.338 35.299 28.225 1.00 27.64 ? 12 DC F "C4'" 1 ATOM 2141 O "O4'" . DC D 2 12 ? 18.926 34.285 27.288 1.00 25.18 ? 12 DC F "O4'" 1 ATOM 2142 C "C3'" . DC D 2 12 ? 20.853 35.290 28.125 1.00 25.95 ? 12 DC F "C3'" 1 ATOM 2143 O "O3'" . DC D 2 12 ? 21.432 35.802 29.312 1.00 29.37 ? 12 DC F "O3'" 1 ATOM 2144 C "C2'" . DC D 2 12 ? 21.161 33.794 27.968 1.00 22.84 ? 12 DC F "C2'" 1 ATOM 2145 C "C1'" . DC D 2 12 ? 19.889 33.248 27.303 1.00 21.44 ? 12 DC F "C1'" 1 ATOM 2146 N N1 . DC D 2 12 ? 20.086 32.759 25.917 1.00 18.69 ? 12 DC F N1 1 ATOM 2147 C C2 . DC D 2 12 ? 20.255 31.390 25.697 1.00 19.02 ? 12 DC F C2 1 ATOM 2148 O O2 . DC D 2 12 ? 20.238 30.624 26.663 1.00 25.11 ? 12 DC F O2 1 ATOM 2149 N N3 . DC D 2 12 ? 20.431 30.946 24.432 1.00 19.54 ? 12 DC F N3 1 ATOM 2150 C C4 . DC D 2 12 ? 20.455 31.813 23.420 1.00 20.25 ? 12 DC F C4 1 ATOM 2151 N N4 . DC D 2 12 ? 20.623 31.328 22.191 1.00 18.44 ? 12 DC F N4 1 ATOM 2152 C C5 . DC D 2 12 ? 20.302 33.223 23.629 1.00 20.37 ? 12 DC F C5 1 ATOM 2153 C C6 . DC D 2 12 ? 20.121 33.641 24.880 1.00 21.23 ? 12 DC F C6 1 ATOM 2154 N N . HIS E 1 4 ? 18.478 -21.668 26.390 1.00 63.97 ? 12 HIS C N 1 ATOM 2155 C CA . HIS E 1 4 ? 19.474 -22.728 26.512 1.00 62.45 ? 12 HIS C CA 1 ATOM 2156 C C . HIS E 1 4 ? 19.611 -23.219 27.953 1.00 56.37 ? 12 HIS C C 1 ATOM 2157 O O . HIS E 1 4 ? 19.258 -24.355 28.260 1.00 57.26 ? 12 HIS C O 1 ATOM 2158 C CB . HIS E 1 4 ? 20.839 -22.251 25.995 1.00 66.67 ? 12 HIS C CB 1 ATOM 2159 C CG . HIS E 1 4 ? 21.084 -22.552 24.546 1.00 70.80 ? 12 HIS C CG 1 ATOM 2160 N ND1 . HIS E 1 4 ? 20.139 -23.137 23.733 1.00 73.21 ? 12 HIS C ND1 1 ATOM 2161 C CD2 . HIS E 1 4 ? 22.176 -22.351 23.770 1.00 72.14 ? 12 HIS C CD2 1 ATOM 2162 C CE1 . HIS E 1 4 ? 20.635 -23.281 22.515 1.00 74.49 ? 12 HIS C CE1 1 ATOM 2163 N NE2 . HIS E 1 4 ? 21.869 -22.812 22.512 1.00 74.29 ? 12 HIS C NE2 1 ATOM 2164 N N . HIS E 1 5 ? 20.121 -22.363 28.834 1.00 50.33 ? 13 HIS C N 1 ATOM 2165 C CA . HIS E 1 5 ? 20.457 -22.778 30.193 1.00 48.19 ? 13 HIS C CA 1 ATOM 2166 C C . HIS E 1 5 ? 19.230 -23.259 30.970 1.00 45.33 ? 13 HIS C C 1 ATOM 2167 O O . HIS E 1 5 ? 18.096 -22.890 30.666 1.00 49.45 ? 13 HIS C O 1 ATOM 2168 C CB . HIS E 1 5 ? 21.148 -21.634 30.949 1.00 48.98 ? 13 HIS C CB 1 ATOM 2169 C CG . HIS E 1 5 ? 21.642 -22.011 32.316 1.00 49.66 ? 13 HIS C CG 1 ATOM 2170 N ND1 . HIS E 1 5 ? 22.544 -23.032 32.530 1.00 51.20 ? 13 HIS C ND1 1 ATOM 2171 C CD2 . HIS E 1 5 ? 21.360 -21.498 33.539 1.00 48.28 ? 13 HIS C CD2 1 ATOM 2172 C CE1 . HIS E 1 5 ? 22.795 -23.133 33.824 1.00 49.75 ? 13 HIS C CE1 1 ATOM 2173 N NE2 . HIS E 1 5 ? 22.087 -22.215 34.459 1.00 47.45 ? 13 HIS C NE2 1 ATOM 2174 N N . HIS E 1 6 ? 19.487 -24.106 31.959 1.00 37.09 ? 14 HIS C N 1 ATOM 2175 C CA . HIS E 1 6 ? 18.474 -24.584 32.882 1.00 30.33 ? 14 HIS C CA 1 ATOM 2176 C C . HIS E 1 6 ? 18.568 -23.826 34.189 1.00 29.55 ? 14 HIS C C 1 ATOM 2177 O O . HIS E 1 6 ? 19.642 -23.700 34.779 1.00 29.37 ? 14 HIS C O 1 ATOM 2178 C CB . HIS E 1 6 ? 18.636 -26.082 33.139 1.00 26.77 ? 14 HIS C CB 1 ATOM 2179 C CG . HIS E 1 6 ? 18.289 -26.936 31.962 1.00 29.74 ? 14 HIS C CG 1 ATOM 2180 N ND1 . HIS E 1 6 ? 18.547 -28.287 31.925 1.00 28.02 ? 14 HIS C ND1 1 ATOM 2181 C CD2 . HIS E 1 6 ? 17.695 -26.632 30.784 1.00 29.45 ? 14 HIS C CD2 1 ATOM 2182 C CE1 . HIS E 1 6 ? 18.133 -28.782 30.772 1.00 29.35 ? 14 HIS C CE1 1 ATOM 2183 N NE2 . HIS E 1 6 ? 17.609 -27.799 30.062 1.00 29.01 ? 14 HIS C NE2 1 ATOM 2184 N N . VAL E 1 7 ? 17.437 -23.314 34.644 1.00 25.28 ? 15 VAL C N 1 ATOM 2185 C CA . VAL E 1 7 ? 17.401 -22.561 35.881 1.00 21.08 ? 15 VAL C CA 1 ATOM 2186 C C . VAL E 1 7 ? 17.263 -23.472 37.090 1.00 27.12 ? 15 VAL C C 1 ATOM 2187 O O . VAL E 1 7 ? 16.329 -24.273 37.157 1.00 29.22 ? 15 VAL C O 1 ATOM 2188 C CB . VAL E 1 7 ? 16.233 -21.571 35.864 1.00 23.82 ? 15 VAL C CB 1 ATOM 2189 C CG1 . VAL E 1 7 ? 16.170 -20.792 37.173 1.00 25.67 ? 15 VAL C CG1 1 ATOM 2190 C CG2 . VAL E 1 7 ? 16.366 -20.652 34.656 1.00 27.19 ? 15 VAL C CG2 1 ATOM 2191 N N . PRO E 1 8 ? 18.194 -23.352 38.047 1.00 26.62 ? 16 PRO C N 1 ATOM 2192 C CA . PRO E 1 8 ? 18.119 -24.089 39.313 1.00 29.97 ? 16 PRO C CA 1 ATOM 2193 C C . PRO E 1 8 ? 16.788 -23.859 40.015 1.00 26.59 ? 16 PRO C C 1 ATOM 2194 O O . PRO E 1 8 ? 16.290 -22.727 40.015 1.00 26.65 ? 16 PRO C O 1 ATOM 2195 C CB . PRO E 1 8 ? 19.271 -23.501 40.131 1.00 32.94 ? 16 PRO C CB 1 ATOM 2196 C CG . PRO E 1 8 ? 20.232 -22.991 39.114 1.00 34.40 ? 16 PRO C CG 1 ATOM 2197 C CD . PRO E 1 8 ? 19.407 -22.520 37.956 1.00 26.56 ? 16 PRO C CD 1 ATOM 2198 N N . ALA E 1 9 ? 16.230 -24.910 40.604 1.00 25.38 ? 17 ALA C N 1 ATOM 2199 C CA . ALA E 1 9 ? 14.925 -24.830 41.256 1.00 27.92 ? 17 ALA C CA 1 ATOM 2200 C C . ALA E 1 9 ? 14.850 -23.678 42.262 1.00 26.39 ? 17 ALA C C 1 ATOM 2201 O O . ALA E 1 9 ? 13.815 -23.010 42.363 1.00 23.76 ? 17 ALA C O 1 ATOM 2202 C CB . ALA E 1 9 ? 14.608 -26.138 41.938 1.00 30.41 ? 17 ALA C CB 1 ATOM 2203 N N . PHE E 1 10 ? 15.942 -23.442 42.989 1.00 23.69 ? 18 PHE C N 1 ATOM 2204 C CA . PHE E 1 10 ? 15.956 -22.387 43.998 1.00 23.24 ? 18 PHE C CA 1 ATOM 2205 C C . PHE E 1 10 ? 15.523 -21.032 43.428 1.00 22.36 ? 18 PHE C C 1 ATOM 2206 O O . PHE E 1 10 ? 14.724 -20.318 44.046 1.00 23.46 ? 18 PHE C O 1 ATOM 2207 C CB . PHE E 1 10 ? 17.341 -22.238 44.635 1.00 25.56 ? 18 PHE C CB 1 ATOM 2208 C CG . PHE E 1 10 ? 17.450 -21.040 45.538 1.00 21.78 ? 18 PHE C CG 1 ATOM 2209 C CD1 . PHE E 1 10 ? 16.929 -21.085 46.827 1.00 25.73 ? 18 PHE C CD1 1 ATOM 2210 C CD2 . PHE E 1 10 ? 18.038 -19.861 45.093 1.00 20.35 ? 18 PHE C CD2 1 ATOM 2211 C CE1 . PHE E 1 10 ? 17.007 -19.977 47.673 1.00 25.16 ? 18 PHE C CE1 1 ATOM 2212 C CE2 . PHE E 1 10 ? 18.116 -18.743 45.927 1.00 24.16 ? 18 PHE C CE2 1 ATOM 2213 C CZ . PHE E 1 10 ? 17.604 -18.800 47.218 1.00 25.89 ? 18 PHE C CZ 1 ATOM 2214 N N . LEU E 1 11 ? 16.067 -20.682 42.263 1.00 20.39 ? 19 LEU C N 1 ATOM 2215 C CA . LEU E 1 11 ? 15.815 -19.376 41.657 1.00 21.75 ? 19 LEU C CA 1 ATOM 2216 C C . LEU E 1 11 ? 14.376 -19.258 41.183 1.00 21.82 ? 19 LEU C C 1 ATOM 2217 O O . LEU E 1 11 ? 13.737 -18.243 41.385 1.00 20.47 ? 19 LEU C O 1 ATOM 2218 C CB . LEU E 1 11 ? 16.763 -19.137 40.495 1.00 20.98 ? 19 LEU C CB 1 ATOM 2219 C CG . LEU E 1 11 ? 18.203 -18.972 40.962 1.00 21.04 ? 19 LEU C CG 1 ATOM 2220 C CD1 . LEU E 1 11 ? 19.122 -18.841 39.751 1.00 20.41 ? 19 LEU C CD1 1 ATOM 2221 C CD2 . LEU E 1 11 ? 18.309 -17.752 41.898 1.00 22.42 ? 19 LEU C CD2 1 ATOM 2222 N N . THR E 1 12 ? 13.874 -20.314 40.552 1.00 22.06 ? 20 THR C N 1 ATOM 2223 C CA . THR E 1 12 ? 12.498 -20.318 40.093 1.00 19.36 ? 20 THR C CA 1 ATOM 2224 C C . THR E 1 12 ? 11.571 -20.218 41.289 1.00 22.94 ? 20 THR C C 1 ATOM 2225 O O . THR E 1 12 ? 10.607 -19.457 41.268 1.00 21.51 ? 20 THR C O 1 ATOM 2226 C CB . THR E 1 12 ? 12.173 -21.590 39.272 1.00 23.01 ? 20 THR C CB 1 ATOM 2227 O OG1 . THR E 1 12 ? 12.967 -21.611 38.079 1.00 22.82 ? 20 THR C OG1 1 ATOM 2228 C CG2 . THR E 1 12 ? 10.695 -21.628 38.911 1.00 24.35 ? 20 THR C CG2 1 ATOM 2229 N N . LYS E 1 13 ? 11.868 -20.977 42.342 1.00 21.89 ? 21 LYS C N 1 ATOM 2230 C CA . LYS E 1 13 ? 11.052 -20.927 43.555 1.00 20.24 ? 21 LYS C CA 1 ATOM 2231 C C . LYS E 1 13 ? 11.109 -19.531 44.183 1.00 21.85 ? 21 LYS C C 1 ATOM 2232 O O . LYS E 1 13 ? 10.099 -19.021 44.655 1.00 21.22 ? 21 LYS C O 1 ATOM 2233 C CB . LYS E 1 13 ? 11.510 -21.984 44.570 1.00 23.29 ? 21 LYS C CB 1 ATOM 2234 C CG . LYS E 1 13 ? 11.225 -23.414 44.140 1.00 27.73 ? 21 LYS C CG 1 ATOM 2235 C CD . LYS E 1 13 ? 11.114 -24.349 45.338 1.00 37.36 ? 21 LYS C CD 1 ATOM 2236 C CE . LYS E 1 13 ? 12.438 -24.566 46.037 1.00 40.98 ? 21 LYS C CE 1 ATOM 2237 N NZ . LYS E 1 13 ? 12.340 -25.662 47.058 1.00 43.66 ? 21 LYS C NZ 1 ATOM 2238 N N . LEU E 1 14 ? 12.296 -18.929 44.180 1.00 20.22 ? 22 LEU C N 1 ATOM 2239 C CA . LEU E 1 14 ? 12.489 -17.604 44.770 1.00 18.44 ? 22 LEU C CA 1 ATOM 2240 C C . LEU E 1 14 ? 11.679 -16.549 44.012 1.00 17.88 ? 22 LEU C C 1 ATOM 2241 O O . LEU E 1 14 ? 11.004 -15.729 44.615 1.00 18.61 ? 22 LEU C O 1 ATOM 2242 C CB . LEU E 1 14 ? 13.971 -17.234 44.781 1.00 17.30 ? 22 LEU C CB 1 ATOM 2243 C CG . LEU E 1 14 ? 14.319 -15.859 45.378 1.00 19.66 ? 22 LEU C CG 1 ATOM 2244 C CD1 . LEU E 1 14 ? 13.979 -15.810 46.858 1.00 21.67 ? 22 LEU C CD1 1 ATOM 2245 C CD2 . LEU E 1 14 ? 15.783 -15.525 45.160 1.00 21.52 ? 22 LEU C CD2 1 ATOM 2246 N N . TRP E 1 15 ? 11.749 -16.580 42.687 1.00 17.95 ? 23 TRP C N 1 ATOM 2247 C CA . TRP E 1 15 ? 11.070 -15.583 41.862 1.00 18.26 ? 23 TRP C CA 1 ATOM 2248 C C . TRP E 1 15 ? 9.566 -15.703 42.067 1.00 21.52 ? 23 TRP C C 1 ATOM 2249 O O . TRP E 1 15 ? 8.853 -14.700 42.167 1.00 19.48 ? 23 TRP C O 1 ATOM 2250 C CB . TRP E 1 15 ? 11.441 -15.762 40.385 1.00 19.58 ? 23 TRP C CB 1 ATOM 2251 C CG . TRP E 1 15 ? 11.001 -14.633 39.483 1.00 20.39 ? 23 TRP C CG 1 ATOM 2252 C CD1 . TRP E 1 15 ? 11.748 -13.565 39.077 1.00 19.06 ? 23 TRP C CD1 1 ATOM 2253 C CD2 . TRP E 1 15 ? 9.718 -14.484 38.868 1.00 19.62 ? 23 TRP C CD2 1 ATOM 2254 N NE1 . TRP E 1 15 ? 11.002 -12.752 38.251 1.00 18.88 ? 23 TRP C NE1 1 ATOM 2255 C CE2 . TRP E 1 15 ? 9.749 -13.294 38.111 1.00 19.84 ? 23 TRP C CE2 1 ATOM 2256 C CE3 . TRP E 1 15 ? 8.540 -15.239 38.891 1.00 21.36 ? 23 TRP C CE3 1 ATOM 2257 C CZ2 . TRP E 1 15 ? 8.650 -12.845 37.375 1.00 20.70 ? 23 TRP C CZ2 1 ATOM 2258 C CZ3 . TRP E 1 15 ? 7.450 -14.791 38.167 1.00 21.39 ? 23 TRP C CZ3 1 ATOM 2259 C CH2 . TRP E 1 15 ? 7.512 -13.605 37.414 1.00 22.02 ? 23 TRP C CH2 1 ATOM 2260 N N . THR E 1 16 ? 9.091 -16.944 42.138 1.00 19.63 ? 24 THR C N 1 ATOM 2261 C CA . THR E 1 16 ? 7.671 -17.197 42.381 1.00 20.57 ? 24 THR C CA 1 ATOM 2262 C C . THR E 1 16 ? 7.250 -16.656 43.737 1.00 20.65 ? 24 THR C C 1 ATOM 2263 O O . THR E 1 16 ? 6.195 -16.016 43.856 1.00 24.63 ? 24 THR C O 1 ATOM 2264 C CB . THR E 1 16 ? 7.360 -18.705 42.295 1.00 24.19 ? 24 THR C CB 1 ATOM 2265 O OG1 . THR E 1 16 ? 7.779 -19.193 41.014 1.00 26.40 ? 24 THR C OG1 1 ATOM 2266 C CG2 . THR E 1 16 ? 5.870 -18.967 42.492 1.00 28.30 ? 24 THR C CG2 1 ATOM 2267 N N . LEU E 1 17 ? 8.081 -16.906 44.749 1.00 20.39 ? 25 LEU C N 1 ATOM 2268 C CA . LEU E 1 17 ? 7.802 -16.470 46.114 1.00 22.58 ? 25 LEU C CA 1 ATOM 2269 C C . LEU E 1 17 ? 7.760 -14.954 46.242 1.00 23.22 ? 25 LEU C C 1 ATOM 2270 O O . LEU E 1 17 ? 6.848 -14.388 46.852 1.00 23.10 ? 25 LEU C O 1 ATOM 2271 C CB . LEU E 1 17 ? 8.841 -17.039 47.069 1.00 21.73 ? 25 LEU C CB 1 ATOM 2272 C CG . LEU E 1 17 ? 8.818 -16.575 48.525 1.00 24.95 ? 25 LEU C CG 1 ATOM 2273 C CD1 . LEU E 1 17 ? 7.484 -16.874 49.199 1.00 24.15 ? 25 LEU C CD1 1 ATOM 2274 C CD2 . LEU E 1 17 ? 9.976 -17.197 49.293 1.00 24.19 ? 25 LEU C CD2 1 ATOM 2275 N N . VAL E 1 18 ? 8.758 -14.293 45.678 1.00 19.30 ? 26 VAL C N 1 ATOM 2276 C CA . VAL E 1 18 ? 8.764 -12.833 45.706 1.00 19.27 ? 26 VAL C CA 1 ATOM 2277 C C . VAL E 1 18 ? 7.524 -12.283 44.981 1.00 20.24 ? 26 VAL C C 1 ATOM 2278 O O . VAL E 1 18 ? 6.847 -11.393 45.494 1.00 23.75 ? 26 VAL C O 1 ATOM 2279 C CB . VAL E 1 18 ? 10.058 -12.277 45.092 1.00 18.33 ? 26 VAL C CB 1 ATOM 2280 C CG1 . VAL E 1 18 ? 10.001 -10.745 44.976 1.00 18.44 ? 26 VAL C CG1 1 ATOM 2281 C CG2 . VAL E 1 18 ? 11.261 -12.709 45.927 1.00 18.66 ? 26 VAL C CG2 1 ATOM 2282 N N . SER E 1 19 ? 7.197 -12.845 43.819 1.00 20.96 ? 27 SER C N 1 ATOM 2283 C CA . SER E 1 19 ? 6.112 -12.308 42.991 1.00 21.48 ? 27 SER C CA 1 ATOM 2284 C C . SER E 1 19 ? 4.715 -12.559 43.553 1.00 23.95 ? 27 SER C C 1 ATOM 2285 O O . SER E 1 19 ? 3.767 -11.848 43.222 1.00 25.60 ? 27 SER C O 1 ATOM 2286 C CB . SER E 1 19 ? 6.206 -12.877 41.576 1.00 21.52 ? 27 SER C CB 1 ATOM 2287 O OG . SER E 1 19 ? 7.418 -12.467 40.947 1.00 20.66 ? 27 SER C OG 1 ATOM 2288 N N . ASP E 1 20 ? 4.587 -13.560 44.412 1.00 24.31 ? 28 ASP C N 1 ATOM 2289 C CA . ASP E 1 20 ? 3.282 -13.933 44.964 1.00 24.23 ? 28 ASP C CA 1 ATOM 2290 C C . ASP E 1 20 ? 2.772 -12.870 45.928 1.00 24.59 ? 28 ASP C C 1 ATOM 2291 O O . ASP E 1 20 ? 3.382 -12.628 46.957 1.00 24.77 ? 28 ASP C O 1 ATOM 2292 C CB . ASP E 1 20 ? 3.400 -15.293 45.655 1.00 27.33 ? 28 ASP C CB 1 ATOM 2293 C CG . ASP E 1 20 ? 2.089 -15.783 46.243 1.00 36.36 ? 28 ASP C CG 1 ATOM 2294 O OD1 . ASP E 1 20 ? 1.046 -15.123 46.058 1.00 38.88 ? 28 ASP C OD1 1 ATOM 2295 O OD2 . ASP E 1 20 ? 2.113 -16.853 46.890 1.00 39.88 ? 28 ASP C OD2 1 ATOM 2296 N N . PRO E 1 21 ? 1.621 -12.249 45.612 1.00 31.06 ? 29 PRO C N 1 ATOM 2297 C CA . PRO E 1 21 ? 1.097 -11.200 46.496 1.00 32.77 ? 29 PRO C CA 1 ATOM 2298 C C . PRO E 1 21 ? 0.751 -11.727 47.888 1.00 31.64 ? 29 PRO C C 1 ATOM 2299 O O . PRO E 1 21 ? 0.792 -10.970 48.857 1.00 32.36 ? 29 PRO C O 1 ATOM 2300 C CB . PRO E 1 21 ? -0.162 -10.722 45.767 1.00 36.02 ? 29 PRO C CB 1 ATOM 2301 C CG . PRO E 1 21 ? -0.577 -11.898 44.933 1.00 35.38 ? 29 PRO C CG 1 ATOM 2302 C CD . PRO E 1 21 ? 0.715 -12.528 44.484 1.00 31.42 ? 29 PRO C CD 1 ATOM 2303 N N . ASP E 1 22 ? 0.433 -13.013 47.987 1.00 30.18 ? 30 ASP C N 1 ATOM 2304 C CA . ASP E 1 22 ? 0.010 -13.590 49.257 1.00 34.36 ? 30 ASP C CA 1 ATOM 2305 C C . ASP E 1 22 ? 1.123 -13.596 50.300 1.00 30.93 ? 30 ASP C C 1 ATOM 2306 O O . ASP E 1 22 ? 0.868 -13.841 51.478 1.00 31.57 ? 30 ASP C O 1 ATOM 2307 C CB . ASP E 1 22 ? -0.502 -15.024 49.060 1.00 39.53 ? 30 ASP C CB 1 ATOM 2308 C CG . ASP E 1 22 ? -1.762 -15.094 48.213 1.00 47.12 ? 30 ASP C CG 1 ATOM 2309 O OD1 . ASP E 1 22 ? -2.456 -14.064 48.069 1.00 48.68 ? 30 ASP C OD1 1 ATOM 2310 O OD2 . ASP E 1 22 ? -2.066 -16.195 47.700 1.00 50.48 ? 30 ASP C OD2 1 ATOM 2311 N N . THR E 1 23 ? 2.358 -13.335 49.874 1.00 25.65 ? 31 THR C N 1 ATOM 2312 C CA . THR E 1 23 ? 3.479 -13.325 50.804 1.00 25.28 ? 31 THR C CA 1 ATOM 2313 C C . THR E 1 23 ? 4.127 -11.955 50.947 1.00 27.06 ? 31 THR C C 1 ATOM 2314 O O . THR E 1 23 ? 5.148 -11.837 51.615 1.00 23.56 ? 31 THR C O 1 ATOM 2315 C CB . THR E 1 23 ? 4.586 -14.301 50.371 1.00 25.71 ? 31 THR C CB 1 ATOM 2316 O OG1 . THR E 1 23 ? 5.125 -13.872 49.115 1.00 24.64 ? 31 THR C OG1 1 ATOM 2317 C CG2 . THR E 1 23 ? 4.036 -15.714 50.244 1.00 26.73 ? 31 THR C CG2 1 ATOM 2318 N N . ASP E 1 24 ? 3.527 -10.922 50.347 1.00 27.47 ? 32 ASP C N 1 ATOM 2319 C CA . ASP E 1 24 ? 4.192 -9.619 50.236 1.00 26.03 ? 32 ASP C CA 1 ATOM 2320 C C . ASP E 1 24 ? 4.456 -8.918 51.568 1.00 26.61 ? 32 ASP C C 1 ATOM 2321 O O . ASP E 1 24 ? 5.296 -8.015 51.636 1.00 29.23 ? 32 ASP C O 1 ATOM 2322 C CB . ASP E 1 24 ? 3.387 -8.682 49.337 1.00 25.91 ? 32 ASP C CB 1 ATOM 2323 C CG . ASP E 1 24 ? 3.666 -8.899 47.870 1.00 31.01 ? 32 ASP C CG 1 ATOM 2324 O OD1 . ASP E 1 24 ? 4.658 -9.588 47.530 1.00 31.08 ? 32 ASP C OD1 1 ATOM 2325 O OD2 . ASP E 1 24 ? 2.898 -8.363 47.050 1.00 33.95 ? 32 ASP C OD2 1 ATOM 2326 N N . ALA E 1 25 ? 3.757 -9.324 52.621 1.00 28.26 ? 33 ALA C N 1 ATOM 2327 C CA . ALA E 1 25 ? 4.022 -8.780 53.947 1.00 27.52 ? 33 ALA C CA 1 ATOM 2328 C C . ALA E 1 25 ? 5.436 -9.120 54.425 1.00 27.64 ? 33 ALA C C 1 ATOM 2329 O O . ALA E 1 25 ? 6.018 -8.399 55.240 1.00 29.38 ? 33 ALA C O 1 ATOM 2330 C CB . ALA E 1 25 ? 2.984 -9.290 54.948 1.00 32.09 ? 33 ALA C CB 1 ATOM 2331 N N . LEU E 1 26 ? 6.004 -10.206 53.906 1.00 24.52 ? 34 LEU C N 1 ATOM 2332 C CA . LEU E 1 26 ? 7.283 -10.674 54.412 1.00 24.87 ? 34 LEU C CA 1 ATOM 2333 C C . LEU E 1 26 ? 8.367 -10.731 53.340 1.00 25.49 ? 34 LEU C C 1 ATOM 2334 O O . LEU E 1 26 ? 9.549 -10.626 53.664 1.00 24.27 ? 34 LEU C O 1 ATOM 2335 C CB . LEU E 1 26 ? 7.126 -12.048 55.066 1.00 27.27 ? 34 LEU C CB 1 ATOM 2336 C CG . LEU E 1 26 ? 6.368 -12.053 56.402 1.00 30.40 ? 34 LEU C CG 1 ATOM 2337 C CD1 . LEU E 1 26 ? 6.212 -13.464 56.935 1.00 33.76 ? 34 LEU C CD1 1 ATOM 2338 C CD2 . LEU E 1 26 ? 7.062 -11.162 57.428 1.00 32.04 ? 34 LEU C CD2 1 ATOM 2339 N N . ILE E 1 27 ? 7.968 -10.881 52.078 1.00 22.48 ? 35 ILE C N 1 ATOM 2340 C CA . ILE E 1 27 ? 8.930 -10.894 50.974 1.00 20.97 ? 35 ILE C CA 1 ATOM 2341 C C . ILE E 1 27 ? 8.252 -10.373 49.707 1.00 22.14 ? 35 ILE C C 1 ATOM 2342 O O . ILE E 1 27 ? 7.215 -10.886 49.281 1.00 23.59 ? 35 ILE C O 1 ATOM 2343 C CB . ILE E 1 27 ? 9.531 -12.312 50.759 1.00 19.45 ? 35 ILE C CB 1 ATOM 2344 C CG1 . ILE E 1 27 ? 10.518 -12.312 49.589 1.00 21.30 ? 35 ILE C CG1 1 ATOM 2345 C CG2 . ILE E 1 27 ? 8.438 -13.367 50.575 1.00 20.21 ? 35 ILE C CG2 1 ATOM 2346 C CD1 . ILE E 1 27 ? 11.430 -13.543 49.573 1.00 21.19 ? 35 ILE C CD1 1 ATOM 2347 N N . CYS E 1 28 ? 8.841 -9.335 49.120 1.00 20.50 ? 36 CYS C N 1 ATOM 2348 C CA . CYS E 1 28 ? 8.158 -8.517 48.134 1.00 21.25 ? 36 CYS C CA 1 ATOM 2349 C C . CYS E 1 28 ? 9.138 -7.807 47.196 1.00 20.57 ? 36 CYS C C 1 ATOM 2350 O O . CYS E 1 28 ? 10.252 -7.517 47.591 1.00 23.28 ? 36 CYS C O 1 ATOM 2351 C CB . CYS E 1 28 ? 7.300 -7.479 48.883 1.00 24.50 ? 36 CYS C CB 1 ATOM 2352 S SG . CYS E 1 28 ? 6.292 -6.399 47.904 1.00 40.97 ? 36 CYS C SG 1 ATOM 2353 N N . TRP E 1 29 ? 8.714 -7.494 45.973 1.00 21.46 ? 37 TRP C N 1 ATOM 2354 C CA . TRP E 1 29 ? 9.531 -6.659 45.093 1.00 21.04 ? 37 TRP C CA 1 ATOM 2355 C C . TRP E 1 29 ? 9.617 -5.236 45.635 1.00 19.83 ? 37 TRP C C 1 ATOM 2356 O O . TRP E 1 29 ? 8.643 -4.712 46.184 1.00 22.45 ? 37 TRP C O 1 ATOM 2357 C CB . TRP E 1 29 ? 8.960 -6.612 43.672 1.00 22.10 ? 37 TRP C CB 1 ATOM 2358 C CG . TRP E 1 29 ? 9.052 -7.898 42.931 1.00 20.21 ? 37 TRP C CG 1 ATOM 2359 C CD1 . TRP E 1 29 ? 8.024 -8.752 42.635 1.00 23.20 ? 37 TRP C CD1 1 ATOM 2360 C CD2 . TRP E 1 29 ? 10.235 -8.490 42.391 1.00 18.65 ? 37 TRP C CD2 1 ATOM 2361 N NE1 . TRP E 1 29 ? 8.499 -9.836 41.938 1.00 19.85 ? 37 TRP C NE1 1 ATOM 2362 C CE2 . TRP E 1 29 ? 9.854 -9.703 41.773 1.00 18.86 ? 37 TRP C CE2 1 ATOM 2363 C CE3 . TRP E 1 29 ? 11.584 -8.116 42.367 1.00 20.86 ? 37 TRP C CE3 1 ATOM 2364 C CZ2 . TRP E 1 29 ? 10.774 -10.546 41.148 1.00 18.81 ? 37 TRP C CZ2 1 ATOM 2365 C CZ3 . TRP E 1 29 ? 12.493 -8.949 41.741 1.00 19.46 ? 37 TRP C CZ3 1 ATOM 2366 C CH2 . TRP E 1 29 ? 12.086 -10.150 41.138 1.00 20.27 ? 37 TRP C CH2 1 ATOM 2367 N N . SER E 1 30 ? 10.780 -4.611 45.480 1.00 19.09 ? 38 SER C N 1 ATOM 2368 C CA . SER E 1 30 ? 10.890 -3.171 45.692 1.00 23.05 ? 38 SER C CA 1 ATOM 2369 C C . SER E 1 30 ? 10.039 -2.466 44.640 1.00 19.71 ? 38 SER C C 1 ATOM 2370 O O . SER E 1 30 ? 9.734 -3.054 43.603 1.00 20.39 ? 38 SER C O 1 ATOM 2371 C CB . SER E 1 30 ? 12.347 -2.729 45.588 1.00 26.46 ? 38 SER C CB 1 ATOM 2372 O OG . SER E 1 30 ? 12.799 -2.935 44.262 1.00 33.02 ? 38 SER C OG 1 ATOM 2373 N N . PRO E 1 31 ? 9.659 -1.203 44.887 1.00 21.98 ? 39 PRO C N 1 ATOM 2374 C CA . PRO E 1 31 ? 8.882 -0.486 43.871 1.00 20.75 ? 39 PRO C CA 1 ATOM 2375 C C . PRO E 1 31 ? 9.533 -0.447 42.482 1.00 20.46 ? 39 PRO C C 1 ATOM 2376 O O . PRO E 1 31 ? 8.816 -0.501 41.490 1.00 24.97 ? 39 PRO C O 1 ATOM 2377 C CB . PRO E 1 31 ? 8.774 0.926 44.462 1.00 25.03 ? 39 PRO C CB 1 ATOM 2378 C CG . PRO E 1 31 ? 8.796 0.692 45.939 1.00 24.51 ? 39 PRO C CG 1 ATOM 2379 C CD . PRO E 1 31 ? 9.751 -0.449 46.149 1.00 24.32 ? 39 PRO C CD 1 ATOM 2380 N N . SER E 1 32 ? 10.860 -0.336 42.414 1.00 20.96 ? 40 SER C N 1 ATOM 2381 C CA . SER E 1 32 ? 11.558 -0.309 41.131 1.00 24.19 ? 40 SER C CA 1 ATOM 2382 C C . SER E 1 32 ? 11.424 -1.632 40.377 1.00 24.61 ? 40 SER C C 1 ATOM 2383 O O . SER E 1 32 ? 11.584 -1.684 39.153 1.00 23.50 ? 40 SER C O 1 ATOM 2384 C CB . SER E 1 32 ? 13.037 -0.025 41.345 1.00 26.07 ? 40 SER C CB 1 ATOM 2385 O OG . SER E 1 32 ? 13.624 -1.143 41.995 1.00 22.91 ? 40 SER C OG 1 ATOM 2386 N N . GLY E 1 33 ? 11.157 -2.696 41.126 1.00 22.35 ? 41 GLY C N 1 ATOM 2387 C CA . GLY E 1 33 ? 11.127 -4.044 40.576 1.00 22.21 ? 41 GLY C CA 1 ATOM 2388 C C . GLY E 1 33 ? 12.513 -4.611 40.299 1.00 20.46 ? 41 GLY C C 1 ATOM 2389 O O . GLY E 1 33 ? 12.635 -5.695 39.718 1.00 20.72 ? 41 GLY C O 1 ATOM 2390 N N . ASN E 1 34 ? 13.554 -3.893 40.718 1.00 19.05 ? 42 ASN C N 1 ATOM 2391 C CA . ASN E 1 34 ? 14.945 -4.293 40.448 1.00 17.52 ? 42 ASN C CA 1 ATOM 2392 C C . ASN E 1 34 ? 15.625 -4.961 41.638 1.00 18.39 ? 42 ASN C C 1 ATOM 2393 O O . ASN E 1 34 ? 16.790 -5.347 41.555 1.00 20.75 ? 42 ASN C O 1 ATOM 2394 C CB . ASN E 1 34 ? 15.795 -3.075 40.032 1.00 17.34 ? 42 ASN C CB 1 ATOM 2395 C CG . ASN E 1 34 ? 15.404 -2.513 38.677 1.00 21.57 ? 42 ASN C CG 1 ATOM 2396 O OD1 . ASN E 1 34 ? 15.030 -3.249 37.768 1.00 22.15 ? 42 ASN C OD1 1 ATOM 2397 N ND2 . ASN E 1 34 ? 15.492 -1.191 38.536 1.00 22.09 ? 42 ASN C ND2 1 ATOM 2398 N N . SER E 1 35 ? 14.911 -5.055 42.754 1.00 18.36 ? 43 SER C N 1 ATOM 2399 C CA . SER E 1 35 ? 15.433 -5.660 43.973 1.00 18.44 ? 43 SER C CA 1 ATOM 2400 C C . SER E 1 35 ? 14.244 -6.187 44.763 1.00 18.06 ? 43 SER C C 1 ATOM 2401 O O . SER E 1 35 ? 13.111 -5.911 44.405 1.00 20.26 ? 43 SER C O 1 ATOM 2402 C CB . SER E 1 35 ? 16.230 -4.651 44.801 1.00 19.23 ? 43 SER C CB 1 ATOM 2403 O OG . SER E 1 35 ? 15.427 -3.546 45.155 1.00 25.61 ? 43 SER C OG 1 ATOM 2404 N N . PHE E 1 36 ? 14.487 -6.946 45.826 1.00 18.35 ? 44 PHE C N 1 ATOM 2405 C CA . PHE E 1 36 ? 13.374 -7.369 46.672 1.00 17.89 ? 44 PHE C CA 1 ATOM 2406 C C . PHE E 1 36 ? 13.739 -7.219 48.140 1.00 21.99 ? 44 PHE C C 1 ATOM 2407 O O . PHE E 1 36 ? 14.912 -7.043 48.481 1.00 21.35 ? 44 PHE C O 1 ATOM 2408 C CB . PHE E 1 36 ? 12.950 -8.817 46.347 1.00 18.09 ? 44 PHE C CB 1 ATOM 2409 C CG . PHE E 1 36 ? 13.933 -9.874 46.767 1.00 19.74 ? 44 PHE C CG 1 ATOM 2410 C CD1 . PHE E 1 36 ? 14.972 -10.239 45.924 1.00 20.36 ? 44 PHE C CD1 1 ATOM 2411 C CD2 . PHE E 1 36 ? 13.785 -10.546 47.975 1.00 20.99 ? 44 PHE C CD2 1 ATOM 2412 C CE1 . PHE E 1 36 ? 15.863 -11.225 46.287 1.00 20.49 ? 44 PHE C CE1 1 ATOM 2413 C CE2 . PHE E 1 36 ? 14.674 -11.549 48.345 1.00 21.11 ? 44 PHE C CE2 1 ATOM 2414 C CZ . PHE E 1 36 ? 15.721 -11.879 47.502 1.00 20.89 ? 44 PHE C CZ 1 ATOM 2415 N N . HIS E 1 37 ? 12.720 -7.234 48.993 1.00 19.64 ? 45 HIS C N 1 ATOM 2416 C CA . HIS E 1 37 ? 12.903 -7.096 50.430 1.00 19.12 ? 45 HIS C CA 1 ATOM 2417 C C . HIS E 1 37 ? 12.459 -8.344 51.173 1.00 22.22 ? 45 HIS C C 1 ATOM 2418 O O . HIS E 1 37 ? 11.486 -9.000 50.793 1.00 22.90 ? 45 HIS C O 1 ATOM 2419 C CB . HIS E 1 37 ? 12.109 -5.902 50.970 1.00 21.44 ? 45 HIS C CB 1 ATOM 2420 C CG . HIS E 1 37 ? 12.572 -4.584 50.447 1.00 25.58 ? 45 HIS C CG 1 ATOM 2421 N ND1 . HIS E 1 37 ? 13.335 -3.717 51.197 1.00 28.39 ? 45 HIS C ND1 1 ATOM 2422 C CD2 . HIS E 1 37 ? 12.381 -3.983 49.250 1.00 27.28 ? 45 HIS C CD2 1 ATOM 2423 C CE1 . HIS E 1 37 ? 13.601 -2.640 50.481 1.00 29.43 ? 45 HIS C CE1 1 ATOM 2424 N NE2 . HIS E 1 37 ? 13.033 -2.776 49.296 1.00 26.98 ? 45 HIS C NE2 1 ATOM 2425 N N . VAL E 1 38 ? 13.182 -8.655 52.239 1.00 21.64 ? 46 VAL C N 1 ATOM 2426 C CA . VAL E 1 38 ? 12.695 -9.571 53.257 1.00 22.41 ? 46 VAL C CA 1 ATOM 2427 C C . VAL E 1 38 ? 12.405 -8.760 54.511 1.00 24.94 ? 46 VAL C C 1 ATOM 2428 O O . VAL E 1 38 ? 13.298 -8.084 55.042 1.00 24.66 ? 46 VAL C O 1 ATOM 2429 C CB . VAL E 1 38 ? 13.694 -10.662 53.583 1.00 21.65 ? 46 VAL C CB 1 ATOM 2430 C CG1 . VAL E 1 38 ? 13.144 -11.534 54.724 1.00 24.66 ? 46 VAL C CG1 1 ATOM 2431 C CG2 . VAL E 1 38 ? 13.997 -11.490 52.336 1.00 23.76 ? 46 VAL C CG2 1 ATOM 2432 N N . PHE E 1 39 ? 11.159 -8.813 54.969 1.00 25.45 ? 47 PHE C N 1 ATOM 2433 C CA . PHE E 1 39 ? 10.745 -8.088 56.168 1.00 26.83 ? 47 PHE C CA 1 ATOM 2434 C C . PHE E 1 39 ? 10.614 -9.044 57.354 1.00 27.45 ? 47 PHE C C 1 ATOM 2435 O O . PHE E 1 39 ? 10.282 -10.215 57.174 1.00 30.99 ? 47 PHE C O 1 ATOM 2436 C CB . PHE E 1 39 ? 9.410 -7.362 55.946 1.00 28.45 ? 47 PHE C CB 1 ATOM 2437 C CG . PHE E 1 39 ? 9.435 -6.359 54.830 1.00 27.24 ? 47 PHE C CG 1 ATOM 2438 C CD1 . PHE E 1 39 ? 10.190 -5.203 54.940 1.00 29.03 ? 47 PHE C CD1 1 ATOM 2439 C CD2 . PHE E 1 39 ? 8.682 -6.555 53.683 1.00 29.61 ? 47 PHE C CD2 1 ATOM 2440 C CE1 . PHE E 1 39 ? 10.208 -4.264 53.914 1.00 28.95 ? 47 PHE C CE1 1 ATOM 2441 C CE2 . PHE E 1 39 ? 8.703 -5.614 52.653 1.00 30.78 ? 47 PHE C CE2 1 ATOM 2442 C CZ . PHE E 1 39 ? 9.465 -4.475 52.775 1.00 29.57 ? 47 PHE C CZ 1 ATOM 2443 N N . ASP E 1 40 ? 10.865 -8.531 58.556 1.00 29.62 ? 48 ASP C N 1 ATOM 2444 C CA . ASP E 1 40 ? 10.668 -9.278 59.800 1.00 34.13 ? 48 ASP C CA 1 ATOM 2445 C C . ASP E 1 40 ? 11.239 -10.685 59.711 1.00 33.83 ? 48 ASP C C 1 ATOM 2446 O O . ASP E 1 40 ? 10.490 -11.666 59.620 1.00 32.38 ? 48 ASP C O 1 ATOM 2447 C CB . ASP E 1 40 ? 9.182 -9.337 60.152 1.00 40.66 ? 48 ASP C CB 1 ATOM 2448 C CG . ASP E 1 40 ? 8.575 -7.960 60.319 1.00 47.41 ? 48 ASP C CG 1 ATOM 2449 O OD1 . ASP E 1 40 ? 9.277 -7.055 60.824 1.00 47.85 ? 48 ASP C OD1 1 ATOM 2450 O OD2 . ASP E 1 40 ? 7.401 -7.779 59.938 1.00 52.33 ? 48 ASP C OD2 1 ATOM 2451 N N . GLN E 1 41 ? 12.566 -10.766 59.749 1.00 36.26 ? 49 GLN C N 1 ATOM 2452 C CA . GLN E 1 41 ? 13.295 -12.005 59.503 1.00 40.23 ? 49 GLN C CA 1 ATOM 2453 C C . GLN E 1 41 ? 12.829 -13.178 60.351 1.00 39.99 ? 49 GLN C C 1 ATOM 2454 O O . GLN E 1 41 ? 12.714 -14.294 59.848 1.00 39.76 ? 49 GLN C O 1 ATOM 2455 C CB . GLN E 1 41 ? 14.791 -11.786 59.726 1.00 44.91 ? 49 GLN C CB 1 ATOM 2456 C CG . GLN E 1 41 ? 15.443 -10.922 58.671 1.00 48.78 ? 49 GLN C CG 1 ATOM 2457 C CD . GLN E 1 41 ? 16.853 -11.365 58.353 1.00 50.76 ? 49 GLN C CD 1 ATOM 2458 O OE1 . GLN E 1 41 ? 17.334 -12.379 58.868 1.00 50.70 ? 49 GLN C OE1 1 ATOM 2459 N NE2 . GLN E 1 41 ? 17.524 -10.610 57.492 1.00 49.60 ? 49 GLN C NE2 1 ATOM 2460 N N . GLY E 1 42 ? 12.568 -12.932 61.630 1.00 40.64 ? 50 GLY C N 1 ATOM 2461 C CA . GLY E 1 42 ? 12.126 -13.990 62.521 1.00 42.89 ? 50 GLY C CA 1 ATOM 2462 C C . GLY E 1 42 ? 10.864 -14.643 61.995 1.00 42.47 ? 50 GLY C C 1 ATOM 2463 O O . GLY E 1 42 ? 10.763 -15.866 61.927 1.00 44.60 ? 50 GLY C O 1 ATOM 2464 N N . GLN E 1 43 ? 9.914 -13.811 61.589 1.00 40.41 ? 51 GLN C N 1 ATOM 2465 C CA . GLN E 1 43 ? 8.629 -14.279 61.087 1.00 39.29 ? 51 GLN C CA 1 ATOM 2466 C C . GLN E 1 43 ? 8.759 -14.955 59.721 1.00 34.79 ? 51 GLN C C 1 ATOM 2467 O O . GLN E 1 43 ? 8.122 -15.972 59.456 1.00 36.92 ? 51 GLN C O 1 ATOM 2468 C CB . GLN E 1 43 ? 7.648 -13.106 61.007 1.00 41.79 ? 51 GLN C CB 1 ATOM 2469 C CG . GLN E 1 43 ? 6.204 -13.513 60.894 1.00 50.69 ? 51 GLN C CG 1 ATOM 2470 C CD . GLN E 1 43 ? 5.686 -14.185 62.154 1.00 62.36 ? 51 GLN C CD 1 ATOM 2471 O OE1 . GLN E 1 43 ? 6.444 -14.466 63.086 1.00 66.03 ? 51 GLN C OE1 1 ATOM 2472 N NE2 . GLN E 1 43 ? 4.385 -14.439 62.191 1.00 67.12 ? 51 GLN C NE2 1 ATOM 2473 N N . PHE E 1 44 ? 9.577 -14.374 58.852 1.00 30.42 ? 52 PHE C N 1 ATOM 2474 C CA . PHE E 1 44 ? 9.828 -14.933 57.526 1.00 28.44 ? 52 PHE C CA 1 ATOM 2475 C C . PHE E 1 44 ? 10.385 -16.355 57.628 1.00 32.78 ? 52 PHE C C 1 ATOM 2476 O O . PHE E 1 44 ? 9.972 -17.254 56.899 1.00 30.82 ? 52 PHE C O 1 ATOM 2477 C CB . PHE E 1 44 ? 10.785 -14.021 56.755 1.00 26.90 ? 52 PHE C CB 1 ATOM 2478 C CG . PHE E 1 44 ? 11.305 -14.610 55.469 1.00 27.05 ? 52 PHE C CG 1 ATOM 2479 C CD1 . PHE E 1 44 ? 10.573 -14.522 54.297 1.00 26.23 ? 52 PHE C CD1 1 ATOM 2480 C CD2 . PHE E 1 44 ? 12.550 -15.217 55.426 1.00 28.07 ? 52 PHE C CD2 1 ATOM 2481 C CE1 . PHE E 1 44 ? 11.067 -15.048 53.117 1.00 25.92 ? 52 PHE C CE1 1 ATOM 2482 C CE2 . PHE E 1 44 ? 13.043 -15.740 54.254 1.00 26.22 ? 52 PHE C CE2 1 ATOM 2483 C CZ . PHE E 1 44 ? 12.304 -15.662 53.098 1.00 23.53 ? 52 PHE C CZ 1 ATOM 2484 N N . ALA E 1 45 ? 11.304 -16.558 58.562 1.00 34.93 ? 53 ALA C N 1 ATOM 2485 C CA . ALA E 1 45 ? 11.894 -17.876 58.769 1.00 38.32 ? 53 ALA C CA 1 ATOM 2486 C C . ALA E 1 45 ? 10.891 -18.886 59.328 1.00 39.32 ? 53 ALA C C 1 ATOM 2487 O O . ALA E 1 45 ? 10.988 -20.083 59.053 1.00 36.60 ? 53 ALA C O 1 ATOM 2488 C CB . ALA E 1 45 ? 13.099 -17.766 59.691 1.00 39.54 ? 53 ALA C CB 1 ATOM 2489 N N . LYS E 1 46 ? 9.928 -18.408 60.107 1.00 42.37 ? 54 LYS C N 1 ATOM 2490 C CA . LYS E 1 46 ? 8.961 -19.292 60.756 1.00 48.30 ? 54 LYS C CA 1 ATOM 2491 C C . LYS E 1 46 ? 7.788 -19.646 59.853 1.00 47.34 ? 54 LYS C C 1 ATOM 2492 O O . LYS E 1 46 ? 7.304 -20.779 59.862 1.00 49.25 ? 54 LYS C O 1 ATOM 2493 C CB . LYS E 1 46 ? 8.425 -18.652 62.037 1.00 54.46 ? 54 LYS C CB 1 ATOM 2494 C CG . LYS E 1 46 ? 9.418 -18.576 63.180 1.00 60.54 ? 54 LYS C CG 1 ATOM 2495 C CD . LYS E 1 46 ? 8.777 -17.916 64.392 1.00 64.23 ? 54 LYS C CD 1 ATOM 2496 C CE . LYS E 1 46 ? 9.719 -17.882 65.585 1.00 65.78 ? 54 LYS C CE 1 ATOM 2497 N NZ . LYS E 1 46 ? 9.065 -17.256 66.774 1.00 67.37 ? 54 LYS C NZ 1 ATOM 2498 N N . GLU E 1 47 ? 7.325 -18.669 59.082 1.00 42.68 ? 55 GLU C N 1 ATOM 2499 C CA . GLU E 1 47 ? 6.096 -18.828 58.321 1.00 43.97 ? 55 GLU C CA 1 ATOM 2500 C C . GLU E 1 47 ? 6.325 -19.091 56.843 1.00 40.72 ? 55 GLU C C 1 ATOM 2501 O O . GLU E 1 47 ? 5.490 -19.716 56.190 1.00 43.75 ? 55 GLU C O 1 ATOM 2502 C CB . GLU E 1 47 ? 5.214 -17.587 58.477 1.00 49.19 ? 55 GLU C CB 1 ATOM 2503 C CG . GLU E 1 47 ? 4.733 -17.337 59.888 1.00 59.26 ? 55 GLU C CG 1 ATOM 2504 C CD . GLU E 1 47 ? 3.541 -16.402 59.927 1.00 69.01 ? 55 GLU C CD 1 ATOM 2505 O OE1 . GLU E 1 47 ? 3.002 -16.080 58.847 1.00 72.09 ? 55 GLU C OE1 1 ATOM 2506 O OE2 . GLU E 1 47 ? 3.140 -15.990 61.035 1.00 74.11 ? 55 GLU C OE2 1 ATOM 2507 N N . VAL E 1 48 ? 7.443 -18.610 56.308 1.00 34.97 ? 56 VAL C N 1 ATOM 2508 C CA . VAL E 1 48 ? 7.661 -18.672 54.868 1.00 35.62 ? 56 VAL C CA 1 ATOM 2509 C C . VAL E 1 48 ? 8.622 -19.778 54.444 1.00 36.21 ? 56 VAL C C 1 ATOM 2510 O O . VAL E 1 48 ? 8.297 -20.576 53.564 1.00 40.65 ? 56 VAL C O 1 ATOM 2511 C CB . VAL E 1 48 ? 8.180 -17.323 54.331 1.00 34.61 ? 56 VAL C CB 1 ATOM 2512 C CG1 . VAL E 1 48 ? 8.436 -17.423 52.841 1.00 32.52 ? 56 VAL C CG1 1 ATOM 2513 C CG2 . VAL E 1 48 ? 7.172 -16.226 54.627 1.00 37.03 ? 56 VAL C CG2 1 ATOM 2514 N N . LEU E 1 49 ? 9.797 -19.837 55.062 1.00 33.79 ? 57 LEU C N 1 ATOM 2515 C CA . LEU E 1 49 ? 10.775 -20.867 54.706 1.00 36.06 ? 57 LEU C CA 1 ATOM 2516 C C . LEU E 1 49 ? 10.248 -22.307 54.805 1.00 37.84 ? 57 LEU C C 1 ATOM 2517 O O . LEU E 1 49 ? 10.457 -23.096 53.889 1.00 36.78 ? 57 LEU C O 1 ATOM 2518 C CB . LEU E 1 49 ? 12.031 -20.724 55.567 1.00 36.16 ? 57 LEU C CB 1 ATOM 2519 C CG . LEU E 1 49 ? 12.917 -19.529 55.218 1.00 37.13 ? 57 LEU C CG 1 ATOM 2520 C CD1 . LEU E 1 49 ? 14.180 -19.538 56.060 1.00 37.92 ? 57 LEU C CD1 1 ATOM 2521 C CD2 . LEU E 1 49 ? 13.252 -19.521 53.732 1.00 36.35 ? 57 LEU C CD2 1 ATOM 2522 N N . PRO E 1 50 ? 9.561 -22.655 55.908 1.00 38.54 ? 58 PRO C N 1 ATOM 2523 C CA . PRO E 1 50 ? 9.099 -24.042 56.040 1.00 39.61 ? 58 PRO C CA 1 ATOM 2524 C C . PRO E 1 50 ? 8.145 -24.457 54.920 1.00 42.86 ? 58 PRO C C 1 ATOM 2525 O O . PRO E 1 50 ? 7.994 -25.652 54.655 1.00 47.17 ? 58 PRO C O 1 ATOM 2526 C CB . PRO E 1 50 ? 8.387 -24.048 57.399 1.00 37.97 ? 58 PRO C CB 1 ATOM 2527 C CG . PRO E 1 50 ? 9.005 -22.917 58.149 1.00 40.91 ? 58 PRO C CG 1 ATOM 2528 C CD . PRO E 1 50 ? 9.264 -21.863 57.114 1.00 38.40 ? 58 PRO C CD 1 ATOM 2529 N N . LYS E 1 51 ? 7.520 -23.483 54.266 1.00 40.78 ? 59 LYS C N 1 ATOM 2530 C CA . LYS E 1 51 ? 6.519 -23.786 53.250 1.00 43.86 ? 59 LYS C CA 1 ATOM 2531 C C . LYS E 1 51 ? 7.081 -23.744 51.826 1.00 40.80 ? 59 LYS C C 1 ATOM 2532 O O . LYS E 1 51 ? 6.652 -24.508 50.957 1.00 43.04 ? 59 LYS C O 1 ATOM 2533 C CB . LYS E 1 51 ? 5.341 -22.818 53.381 1.00 52.61 ? 59 LYS C CB 1 ATOM 2534 C CG . LYS E 1 51 ? 4.306 -22.926 52.277 1.00 59.25 ? 59 LYS C CG 1 ATOM 2535 C CD . LYS E 1 51 ? 3.234 -21.859 52.444 1.00 64.58 ? 59 LYS C CD 1 ATOM 2536 C CE . LYS E 1 51 ? 2.217 -21.912 51.316 1.00 68.51 ? 59 LYS C CE 1 ATOM 2537 N NZ . LYS E 1 51 ? 1.601 -23.263 51.191 1.00 71.52 ? 59 LYS C NZ 1 ATOM 2538 N N . TYR E 1 52 ? 8.046 -22.862 51.591 1.00 35.23 ? 60 TYR C N 1 ATOM 2539 C CA . TYR E 1 52 ? 8.553 -22.629 50.246 1.00 34.64 ? 60 TYR C CA 1 ATOM 2540 C C . TYR E 1 52 ? 9.938 -23.232 50.039 1.00 33.05 ? 60 TYR C C 1 ATOM 2541 O O . TYR E 1 52 ? 10.320 -23.583 48.922 1.00 32.46 ? 60 TYR C O 1 ATOM 2542 C CB . TYR E 1 52 ? 8.583 -21.123 49.952 1.00 34.84 ? 60 TYR C CB 1 ATOM 2543 C CG . TYR E 1 52 ? 7.204 -20.535 49.793 1.00 38.87 ? 60 TYR C CG 1 ATOM 2544 C CD1 . TYR E 1 52 ? 6.479 -20.108 50.898 1.00 40.88 ? 60 TYR C CD1 1 ATOM 2545 C CD2 . TYR E 1 52 ? 6.621 -20.420 48.539 1.00 42.83 ? 60 TYR C CD2 1 ATOM 2546 C CE1 . TYR E 1 52 ? 5.211 -19.580 50.760 1.00 44.64 ? 60 TYR C CE1 1 ATOM 2547 C CE2 . TYR E 1 52 ? 5.354 -19.891 48.388 1.00 45.73 ? 60 TYR C CE2 1 ATOM 2548 C CZ . TYR E 1 52 ? 4.653 -19.474 49.503 1.00 48.17 ? 60 TYR C CZ 1 ATOM 2549 O OH . TYR E 1 52 ? 3.391 -18.946 49.361 1.00 52.34 ? 60 TYR C OH 1 ATOM 2550 N N . PHE E 1 53 ? 10.686 -23.344 51.126 1.00 30.15 ? 61 PHE C N 1 ATOM 2551 C CA . PHE E 1 53 ? 12.016 -23.922 51.082 1.00 27.77 ? 61 PHE C CA 1 ATOM 2552 C C . PHE E 1 53 ? 12.135 -24.905 52.227 1.00 31.50 ? 61 PHE C C 1 ATOM 2553 O O . PHE E 1 53 ? 12.956 -24.731 53.131 1.00 31.10 ? 61 PHE C O 1 ATOM 2554 C CB . PHE E 1 53 ? 13.095 -22.835 51.162 1.00 27.34 ? 61 PHE C CB 1 ATOM 2555 C CG . PHE E 1 53 ? 13.077 -21.889 49.993 1.00 24.97 ? 61 PHE C CG 1 ATOM 2556 C CD1 . PHE E 1 53 ? 13.616 -22.261 48.779 1.00 24.26 ? 61 PHE C CD1 1 ATOM 2557 C CD2 . PHE E 1 53 ? 12.480 -20.642 50.101 1.00 28.44 ? 61 PHE C CD2 1 ATOM 2558 C CE1 . PHE E 1 53 ? 13.585 -21.404 47.695 1.00 27.75 ? 61 PHE C CE1 1 ATOM 2559 C CE2 . PHE E 1 53 ? 12.449 -19.778 49.020 1.00 28.51 ? 61 PHE C CE2 1 ATOM 2560 C CZ . PHE E 1 53 ? 12.996 -20.161 47.819 1.00 25.40 ? 61 PHE C CZ 1 ATOM 2561 N N . LYS E 1 54 ? 11.280 -25.926 52.175 1.00 35.10 ? 62 LYS C N 1 ATOM 2562 C CA . LYS E 1 54 ? 11.182 -26.943 53.214 1.00 38.76 ? 62 LYS C CA 1 ATOM 2563 C C . LYS E 1 54 ? 12.550 -27.368 53.703 1.00 36.36 ? 62 LYS C C 1 ATOM 2564 O O . LYS E 1 54 ? 13.416 -27.711 52.899 1.00 36.09 ? 62 LYS C O 1 ATOM 2565 C CB . LYS E 1 54 ? 10.427 -28.168 52.700 1.00 46.19 ? 62 LYS C CB 1 ATOM 2566 C CG . LYS E 1 54 ? 9.073 -27.873 52.085 1.00 51.99 ? 62 LYS C CG 1 ATOM 2567 C CD . LYS E 1 54 ? 8.450 -29.152 51.533 1.00 55.02 ? 62 LYS C CD 1 ATOM 2568 C CE . LYS E 1 54 ? 7.117 -28.875 50.852 1.00 55.56 ? 62 LYS C CE 1 ATOM 2569 N NZ . LYS E 1 54 ? 6.548 -30.113 50.249 1.00 56.10 ? 62 LYS C NZ 1 ATOM 2570 N N . HIS E 1 55 ? 12.740 -27.324 55.018 1.00 35.12 ? 63 HIS C N 1 ATOM 2571 C CA . HIS E 1 55 ? 13.954 -27.842 55.639 1.00 35.51 ? 63 HIS C CA 1 ATOM 2572 C C . HIS E 1 55 ? 15.167 -26.944 55.382 1.00 37.22 ? 63 HIS C C 1 ATOM 2573 O O . HIS E 1 55 ? 16.309 -27.406 55.395 1.00 37.68 ? 63 HIS C O 1 ATOM 2574 C CB . HIS E 1 55 ? 14.227 -29.267 55.138 1.00 36.49 ? 63 HIS C CB 1 ATOM 2575 C CG . HIS E 1 55 ? 14.659 -30.207 56.213 1.00 38.42 ? 63 HIS C CG 1 ATOM 2576 N ND1 . HIS E 1 55 ? 14.923 -31.540 55.976 1.00 38.96 ? 63 HIS C ND1 1 ATOM 2577 C CD2 . HIS E 1 55 ? 14.878 -30.009 57.534 1.00 42.20 ? 63 HIS C CD2 1 ATOM 2578 C CE1 . HIS E 1 55 ? 15.290 -32.119 57.104 1.00 42.65 ? 63 HIS C CE1 1 ATOM 2579 N NE2 . HIS E 1 55 ? 15.272 -31.211 58.065 1.00 44.37 ? 63 HIS C NE2 1 ATOM 2580 N N . ASN E 1 56 ? 14.904 -25.662 55.142 1.00 38.86 ? 64 ASN C N 1 ATOM 2581 C CA . ASN E 1 56 ? 15.939 -24.628 55.057 1.00 38.23 ? 64 ASN C CA 1 ATOM 2582 C C . ASN E 1 56 ? 15.737 -23.576 56.144 1.00 42.01 ? 64 ASN C C 1 ATOM 2583 O O . ASN E 1 56 ? 14.636 -23.053 56.292 1.00 45.17 ? 64 ASN C O 1 ATOM 2584 C CB . ASN E 1 56 ? 15.915 -23.925 53.690 1.00 33.76 ? 64 ASN C CB 1 ATOM 2585 C CG . ASN E 1 56 ? 16.419 -24.802 52.563 1.00 34.26 ? 64 ASN C CG 1 ATOM 2586 O OD1 . ASN E 1 56 ? 17.570 -24.684 52.137 1.00 34.11 ? 64 ASN C OD1 1 ATOM 2587 N ND2 . ASN E 1 56 ? 15.558 -25.681 52.065 1.00 31.23 ? 64 ASN C ND2 1 ATOM 2588 N N . ASN E 1 57 ? 16.783 -23.252 56.895 1.00 40.22 ? 65 ASN C N 1 ATOM 2589 C CA . ASN E 1 57 ? 16.709 -22.112 57.804 1.00 41.77 ? 65 ASN C CA 1 ATOM 2590 C C . ASN E 1 57 ? 17.285 -20.861 57.131 1.00 37.80 ? 65 ASN C C 1 ATOM 2591 O O . ASN E 1 57 ? 17.722 -20.931 55.983 1.00 33.18 ? 65 ASN C O 1 ATOM 2592 C CB . ASN E 1 57 ? 17.428 -22.413 59.123 1.00 45.29 ? 65 ASN C CB 1 ATOM 2593 C CG . ASN E 1 57 ? 18.874 -22.806 58.926 1.00 45.97 ? 65 ASN C CG 1 ATOM 2594 O OD1 . ASN E 1 57 ? 19.423 -22.675 57.833 1.00 44.98 ? 65 ASN C OD1 1 ATOM 2595 N ND2 . ASN E 1 57 ? 19.503 -23.283 59.992 1.00 48.38 ? 65 ASN C ND2 1 ATOM 2596 N N . MET E 1 58 ? 17.271 -19.726 57.829 1.00 38.67 ? 66 MET C N 1 ATOM 2597 C CA . MET E 1 58 ? 17.693 -18.455 57.232 1.00 39.34 ? 66 MET C CA 1 ATOM 2598 C C . MET E 1 58 ? 19.129 -18.493 56.717 1.00 36.63 ? 66 MET C C 1 ATOM 2599 O O . MET E 1 58 ? 19.450 -17.854 55.716 1.00 31.08 ? 66 MET C O 1 ATOM 2600 C CB . MET E 1 58 ? 17.545 -17.306 58.231 1.00 42.25 ? 66 MET C CB 1 ATOM 2601 C CG . MET E 1 58 ? 16.314 -16.442 58.000 1.00 44.13 ? 66 MET C CG 1 ATOM 2602 S SD . MET E 1 58 ? 16.268 -15.638 56.381 1.00 39.48 ? 66 MET C SD 1 ATOM 2603 C CE . MET E 1 58 ? 17.696 -14.567 56.478 1.00 64.27 ? 66 MET C CE 1 ATOM 2604 N N . ALA E 1 59 ? 19.988 -19.240 57.405 1.00 40.15 ? 67 ALA C N 1 ATOM 2605 C CA . ALA E 1 59 ? 21.379 -19.371 56.986 1.00 38.87 ? 67 ALA C CA 1 ATOM 2606 C C . ALA E 1 59 ? 21.469 -20.037 55.619 1.00 33.70 ? 67 ALA C C 1 ATOM 2607 O O . ALA E 1 59 ? 22.226 -19.597 54.757 1.00 34.34 ? 67 ALA C O 1 ATOM 2608 C CB . ALA E 1 59 ? 22.177 -20.160 58.016 1.00 41.24 ? 67 ALA C CB 1 ATOM 2609 N N . SER E 1 60 ? 20.688 -21.097 55.423 1.00 30.77 ? 68 SER C N 1 ATOM 2610 C CA . SER E 1 60 ? 20.695 -21.824 54.158 1.00 32.25 ? 68 SER C CA 1 ATOM 2611 C C . SER E 1 60 ? 20.132 -20.949 53.042 1.00 27.68 ? 68 SER C C 1 ATOM 2612 O O . SER E 1 60 ? 20.650 -20.931 51.926 1.00 26.63 ? 68 SER C O 1 ATOM 2613 C CB . SER E 1 60 ? 19.897 -23.129 54.277 1.00 36.53 ? 68 SER C CB 1 ATOM 2614 O OG . SER E 1 60 ? 19.724 -23.727 53.003 1.00 35.85 ? 68 SER C OG 1 ATOM 2615 N N . PHE E 1 61 ? 19.077 -20.209 53.363 1.00 26.51 ? 69 PHE C N 1 ATOM 2616 C CA . PHE E 1 61 ? 18.467 -19.281 52.421 1.00 26.27 ? 69 PHE C CA 1 ATOM 2617 C C . PHE E 1 61 ? 19.460 -18.224 51.945 1.00 26.14 ? 69 PHE C C 1 ATOM 2618 O O . PHE E 1 61 ? 19.646 -18.017 50.746 1.00 23.37 ? 69 PHE C O 1 ATOM 2619 C CB . PHE E 1 61 ? 17.257 -18.614 53.073 1.00 26.70 ? 69 PHE C CB 1 ATOM 2620 C CG . PHE E 1 61 ? 16.531 -17.670 52.165 1.00 28.22 ? 69 PHE C CG 1 ATOM 2621 C CD1 . PHE E 1 61 ? 15.774 -18.153 51.115 1.00 26.62 ? 69 PHE C CD1 1 ATOM 2622 C CD2 . PHE E 1 61 ? 16.621 -16.300 52.353 1.00 27.41 ? 69 PHE C CD2 1 ATOM 2623 C CE1 . PHE E 1 61 ? 15.108 -17.283 50.267 1.00 28.36 ? 69 PHE C CE1 1 ATOM 2624 C CE2 . PHE E 1 61 ? 15.955 -15.423 51.508 1.00 27.78 ? 69 PHE C CE2 1 ATOM 2625 C CZ . PHE E 1 61 ? 15.200 -15.916 50.464 1.00 27.61 ? 69 PHE C CZ 1 ATOM 2626 N N . VAL E 1 62 ? 20.106 -17.564 52.897 1.00 27.40 ? 70 VAL C N 1 ATOM 2627 C CA . VAL E 1 62 ? 21.051 -16.502 52.578 1.00 25.10 ? 70 VAL C CA 1 ATOM 2628 C C . VAL E 1 62 ? 22.268 -17.058 51.840 1.00 27.57 ? 70 VAL C C 1 ATOM 2629 O O . VAL E 1 62 ? 22.783 -16.429 50.917 1.00 27.67 ? 70 VAL C O 1 ATOM 2630 C CB . VAL E 1 62 ? 21.489 -15.758 53.854 1.00 32.59 ? 70 VAL C CB 1 ATOM 2631 C CG1 . VAL E 1 62 ? 22.600 -14.773 53.548 1.00 38.59 ? 70 VAL C CG1 1 ATOM 2632 C CG2 . VAL E 1 62 ? 20.298 -15.046 54.473 1.00 32.14 ? 70 VAL C CG2 1 ATOM 2633 N N . ARG E 1 63 ? 22.708 -18.245 52.243 1.00 29.66 ? 71 ARG C N 1 ATOM 2634 C CA . ARG E 1 63 ? 23.801 -18.945 51.571 1.00 30.82 ? 71 ARG C CA 1 ATOM 2635 C C . ARG E 1 63 ? 23.491 -19.159 50.098 1.00 25.31 ? 71 ARG C C 1 ATOM 2636 O O . ARG E 1 63 ? 24.357 -18.971 49.239 1.00 24.87 ? 71 ARG C O 1 ATOM 2637 C CB . ARG E 1 63 ? 24.080 -20.294 52.244 1.00 36.26 ? 71 ARG C CB 1 ATOM 2638 C CG . ARG E 1 63 ? 25.111 -21.151 51.513 1.00 40.54 ? 71 ARG C CG 1 ATOM 2639 C CD . ARG E 1 63 ? 25.218 -22.555 52.107 1.00 46.11 ? 71 ARG C CD 1 ATOM 2640 N NE . ARG E 1 63 ? 25.240 -22.522 53.566 1.00 50.19 ? 71 ARG C NE 1 ATOM 2641 C CZ . ARG E 1 63 ? 24.459 -23.264 54.346 1.00 52.04 ? 71 ARG C CZ 1 ATOM 2642 N NH1 . ARG E 1 63 ? 23.596 -24.120 53.811 1.00 51.71 ? 71 ARG C NH1 1 ATOM 2643 N NH2 . ARG E 1 63 ? 24.547 -23.154 55.664 1.00 53.85 ? 71 ARG C NH2 1 ATOM 2644 N N . GLN E 1 64 ? 22.254 -19.555 49.808 1.00 24.15 ? 72 GLN C N 1 ATOM 2645 C CA . GLN E 1 64 ? 21.831 -19.760 48.430 1.00 21.90 ? 72 GLN C CA 1 ATOM 2646 C C . GLN E 1 64 ? 21.861 -18.444 47.658 1.00 20.14 ? 72 GLN C C 1 ATOM 2647 O O . GLN E 1 64 ? 22.313 -18.396 46.519 1.00 23.92 ? 72 GLN C O 1 ATOM 2648 C CB . GLN E 1 64 ? 20.430 -20.378 48.386 1.00 31.18 ? 72 GLN C CB 1 ATOM 2649 C CG . GLN E 1 64 ? 20.356 -21.806 48.937 1.00 36.82 ? 72 GLN C CG 1 ATOM 2650 C CD . GLN E 1 64 ? 20.202 -22.845 47.846 1.00 43.91 ? 72 GLN C CD 1 ATOM 2651 O OE1 . GLN E 1 64 ? 20.765 -22.712 46.759 1.00 44.61 ? 72 GLN C OE1 1 ATOM 2652 N NE2 . GLN E 1 64 ? 19.434 -23.888 48.130 1.00 50.68 ? 72 GLN C NE2 1 ATOM 2653 N N . LEU E 1 65 ? 21.381 -17.374 48.277 1.00 20.89 ? 73 LEU C N 1 ATOM 2654 C CA . LEU E 1 65 ? 21.418 -16.064 47.624 1.00 19.69 ? 73 LEU C CA 1 ATOM 2655 C C . LEU E 1 65 ? 22.849 -15.694 47.261 1.00 18.80 ? 73 LEU C C 1 ATOM 2656 O O . LEU E 1 65 ? 23.132 -15.266 46.142 1.00 19.73 ? 73 LEU C O 1 ATOM 2657 C CB . LEU E 1 65 ? 20.823 -14.989 48.526 1.00 18.10 ? 73 LEU C CB 1 ATOM 2658 C CG . LEU E 1 65 ? 19.324 -15.075 48.814 1.00 19.06 ? 73 LEU C CG 1 ATOM 2659 C CD1 . LEU E 1 65 ? 18.912 -13.951 49.744 1.00 23.12 ? 73 LEU C CD1 1 ATOM 2660 C CD2 . LEU E 1 65 ? 18.525 -15.031 47.521 1.00 18.97 ? 73 LEU C CD2 1 ATOM 2661 N N . ASN E 1 66 ? 23.758 -15.896 48.209 1.00 21.77 ? 74 ASN C N 1 ATOM 2662 C CA . ASN E 1 66 ? 25.146 -15.532 47.995 1.00 24.11 ? 74 ASN C CA 1 ATOM 2663 C C . ASN E 1 66 ? 25.771 -16.372 46.880 1.00 27.90 ? 74 ASN C C 1 ATOM 2664 O O . ASN E 1 66 ? 26.519 -15.856 46.051 1.00 27.37 ? 74 ASN C O 1 ATOM 2665 C CB . ASN E 1 66 ? 25.930 -15.669 49.296 1.00 26.42 ? 74 ASN C CB 1 ATOM 2666 C CG . ASN E 1 66 ? 27.340 -15.131 49.177 1.00 32.06 ? 74 ASN C CG 1 ATOM 2667 O OD1 . ASN E 1 66 ? 27.549 -13.924 49.054 1.00 32.52 ? 74 ASN C OD1 1 ATOM 2668 N ND2 . ASN E 1 66 ? 28.313 -16.024 49.209 1.00 31.74 ? 74 ASN C ND2 1 ATOM 2669 N N . MET E 1 67 ? 25.428 -17.657 46.848 1.00 28.46 ? 75 MET C N 1 ATOM 2670 C CA . MET E 1 67 ? 25.940 -18.576 45.833 1.00 32.64 ? 75 MET C CA 1 ATOM 2671 C C . MET E 1 67 ? 25.588 -18.136 44.415 1.00 29.64 ? 75 MET C C 1 ATOM 2672 O O . MET E 1 67 ? 26.302 -18.453 43.464 1.00 29.67 ? 75 MET C O 1 ATOM 2673 C CB . MET E 1 67 ? 25.403 -19.986 46.070 1.00 35.71 ? 75 MET C CB 1 ATOM 2674 C CG . MET E 1 67 ? 25.742 -20.960 44.949 1.00 39.68 ? 75 MET C CG 1 ATOM 2675 S SD . MET E 1 67 ? 25.442 -22.689 45.376 1.00 52.73 ? 75 MET C SD 1 ATOM 2676 C CE . MET E 1 67 ? 23.664 -22.717 45.484 1.00 27.02 ? 75 MET C CE 1 ATOM 2677 N N . TYR E 1 68 ? 24.489 -17.406 44.273 1.00 25.66 ? 76 TYR C N 1 ATOM 2678 C CA . TYR E 1 68 ? 24.024 -17.029 42.947 1.00 23.96 ? 76 TYR C CA 1 ATOM 2679 C C . TYR E 1 68 ? 24.389 -15.586 42.623 1.00 21.36 ? 76 TYR C C 1 ATOM 2680 O O . TYR E 1 68 ? 23.952 -15.030 41.615 1.00 25.89 ? 76 TYR C O 1 ATOM 2681 C CB . TYR E 1 68 ? 22.516 -17.284 42.829 1.00 21.38 ? 76 TYR C CB 1 ATOM 2682 C CG . TYR E 1 68 ? 22.242 -18.766 42.694 1.00 24.01 ? 76 TYR C CG 1 ATOM 2683 C CD1 . TYR E 1 68 ? 22.621 -19.449 41.554 1.00 26.61 ? 76 TYR C CD1 1 ATOM 2684 C CD2 . TYR E 1 68 ? 21.629 -19.487 43.716 1.00 29.12 ? 76 TYR C CD2 1 ATOM 2685 C CE1 . TYR E 1 68 ? 22.399 -20.811 41.426 1.00 27.09 ? 76 TYR C CE1 1 ATOM 2686 C CE2 . TYR E 1 68 ? 21.399 -20.849 43.593 1.00 29.73 ? 76 TYR C CE2 1 ATOM 2687 C CZ . TYR E 1 68 ? 21.791 -21.501 42.443 1.00 28.76 ? 76 TYR C CZ 1 ATOM 2688 O OH . TYR E 1 68 ? 21.580 -22.854 42.297 1.00 34.15 ? 76 TYR C OH 1 ATOM 2689 N N . GLY E 1 69 ? 25.212 -14.992 43.479 1.00 19.89 ? 77 GLY C N 1 ATOM 2690 C CA . GLY E 1 69 ? 25.727 -13.653 43.230 1.00 21.66 ? 77 GLY C CA 1 ATOM 2691 C C . GLY E 1 69 ? 24.784 -12.513 43.581 1.00 20.64 ? 77 GLY C C 1 ATOM 2692 O O . GLY E 1 69 ? 24.967 -11.393 43.106 1.00 21.74 ? 77 GLY C O 1 ATOM 2693 N N . PHE E 1 70 ? 23.770 -12.784 44.395 1.00 20.03 ? 78 PHE C N 1 ATOM 2694 C CA . PHE E 1 70 ? 22.918 -11.702 44.896 1.00 19.00 ? 78 PHE C CA 1 ATOM 2695 C C . PHE E 1 70 ? 23.725 -10.817 45.814 1.00 23.93 ? 78 PHE C C 1 ATOM 2696 O O . PHE E 1 70 ? 24.614 -11.298 46.525 1.00 26.26 ? 78 PHE C O 1 ATOM 2697 C CB . PHE E 1 70 ? 21.705 -12.242 45.652 1.00 18.96 ? 78 PHE C CB 1 ATOM 2698 C CG . PHE E 1 70 ? 20.620 -12.762 44.763 1.00 19.43 ? 78 PHE C CG 1 ATOM 2699 C CD1 . PHE E 1 70 ? 20.740 -13.995 44.146 1.00 20.96 ? 78 PHE C CD1 1 ATOM 2700 C CD2 . PHE E 1 70 ? 19.456 -12.029 44.568 1.00 20.44 ? 78 PHE C CD2 1 ATOM 2701 C CE1 . PHE E 1 70 ? 19.735 -14.477 43.325 1.00 20.61 ? 78 PHE C CE1 1 ATOM 2702 C CE2 . PHE E 1 70 ? 18.447 -12.507 43.749 1.00 19.03 ? 78 PHE C CE2 1 ATOM 2703 C CZ . PHE E 1 70 ? 18.579 -13.732 43.131 1.00 19.57 ? 78 PHE C CZ 1 ATOM 2704 N N . ARG E 1 71 ? 23.400 -9.529 45.806 1.00 19.93 ? 79 ARG C N 1 ATOM 2705 C CA . ARG E 1 71 ? 24.031 -8.570 46.700 1.00 21.75 ? 79 ARG C CA 1 ATOM 2706 C C . ARG E 1 71 ? 22.983 -7.999 47.634 1.00 25.11 ? 79 ARG C C 1 ATOM 2707 O O . ARG E 1 71 ? 21.772 -8.126 47.394 1.00 21.87 ? 79 ARG C O 1 ATOM 2708 C CB . ARG E 1 71 ? 24.702 -7.439 45.912 1.00 22.38 ? 79 ARG C CB 1 ATOM 2709 C CG . ARG E 1 71 ? 25.737 -7.893 44.897 1.00 24.55 ? 79 ARG C CG 1 ATOM 2710 C CD . ARG E 1 71 ? 26.993 -8.382 45.577 1.00 34.81 ? 79 ARG C CD 1 ATOM 2711 N NE . ARG E 1 71 ? 28.055 -8.642 44.611 1.00 42.77 ? 79 ARG C NE 1 ATOM 2712 C CZ . ARG E 1 71 ? 28.512 -9.854 44.311 1.00 47.53 ? 79 ARG C CZ 1 ATOM 2713 N NH1 . ARG E 1 71 ? 28.014 -10.922 44.917 1.00 49.61 ? 79 ARG C NH1 1 ATOM 2714 N NH2 . ARG E 1 71 ? 29.477 -9.996 43.414 1.00 48.40 ? 79 ARG C NH2 1 ATOM 2715 N N . LYS E 1 72 ? 23.462 -7.339 48.683 1.00 24.06 ? 80 LYS C N 1 ATOM 2716 C CA . LYS E 1 72 ? 22.610 -6.712 49.673 1.00 19.79 ? 80 LYS C CA 1 ATOM 2717 C C . LYS E 1 72 ? 22.686 -5.211 49.458 1.00 20.92 ? 80 LYS C C 1 ATOM 2718 O O . LYS E 1 72 ? 23.754 -4.688 49.167 1.00 23.20 ? 80 LYS C O 1 ATOM 2719 C CB . LYS E 1 72 ? 23.073 -7.104 51.084 1.00 23.91 ? 80 LYS C CB 1 ATOM 2720 C CG . LYS E 1 72 ? 22.187 -6.670 52.220 1.00 30.65 ? 80 LYS C CG 1 ATOM 2721 C CD . LYS E 1 72 ? 22.628 -7.320 53.539 1.00 34.75 ? 80 LYS C CD 1 ATOM 2722 C CE . LYS E 1 72 ? 24.064 -6.952 53.900 1.00 39.33 ? 80 LYS C CE 1 ATOM 2723 N NZ . LYS E 1 72 ? 24.443 -7.391 55.283 1.00 42.08 ? 80 LYS C NZ 1 ATOM 2724 N N . VAL E 1 73 ? 21.561 -4.522 49.590 1.00 19.23 ? 81 VAL C N 1 ATOM 2725 C CA . VAL E 1 73 ? 21.549 -3.077 49.405 1.00 18.86 ? 81 VAL C CA 1 ATOM 2726 C C . VAL E 1 73 ? 21.383 -2.438 50.771 1.00 21.35 ? 81 VAL C C 1 ATOM 2727 O O . VAL E 1 73 ? 20.398 -2.697 51.464 1.00 24.12 ? 81 VAL C O 1 ATOM 2728 C CB . VAL E 1 73 ? 20.420 -2.628 48.450 1.00 18.31 ? 81 VAL C CB 1 ATOM 2729 C CG1 . VAL E 1 73 ? 20.492 -1.128 48.208 1.00 24.86 ? 81 VAL C CG1 1 ATOM 2730 C CG2 . VAL E 1 73 ? 20.522 -3.374 47.142 1.00 17.77 ? 81 VAL C CG2 1 ATOM 2731 N N . VAL E 1 74 ? 22.352 -1.619 51.169 1.00 20.66 ? 82 VAL C N 1 ATOM 2732 C CA . VAL E 1 74 ? 22.326 -1.068 52.515 1.00 20.70 ? 82 VAL C CA 1 ATOM 2733 C C . VAL E 1 74 ? 22.515 0.438 52.521 1.00 20.90 ? 82 VAL C C 1 ATOM 2734 O O . VAL E 1 74 ? 23.051 1.009 51.574 1.00 21.79 ? 82 VAL C O 1 ATOM 2735 C CB . VAL E 1 74 ? 23.411 -1.693 53.411 1.00 24.62 ? 82 VAL C CB 1 ATOM 2736 C CG1 . VAL E 1 74 ? 23.240 -3.203 53.475 1.00 26.31 ? 82 VAL C CG1 1 ATOM 2737 C CG2 . VAL E 1 74 ? 24.798 -1.327 52.909 1.00 24.17 ? 82 VAL C CG2 1 ATOM 2738 N N . HIS E 1 75 ? 22.084 1.067 53.605 1.00 22.52 ? 83 HIS C N 1 ATOM 2739 C CA . HIS E 1 75 ? 22.270 2.500 53.751 1.00 22.70 ? 83 HIS C CA 1 ATOM 2740 C C . HIS E 1 75 ? 23.742 2.826 53.925 1.00 25.41 ? 83 HIS C C 1 ATOM 2741 O O . HIS E 1 75 ? 24.508 2.067 54.533 1.00 26.02 ? 83 HIS C O 1 ATOM 2742 C CB . HIS E 1 75 ? 21.465 3.041 54.928 1.00 24.72 ? 83 HIS C CB 1 ATOM 2743 C CG . HIS E 1 75 ? 19.989 3.028 54.693 1.00 29.99 ? 83 HIS C CG 1 ATOM 2744 N ND1 . HIS E 1 75 ? 19.274 4.165 54.382 1.00 32.53 ? 83 HIS C ND1 1 ATOM 2745 C CD2 . HIS E 1 75 ? 19.097 2.011 54.700 1.00 29.85 ? 83 HIS C CD2 1 ATOM 2746 C CE1 . HIS E 1 75 ? 18.002 3.849 54.216 1.00 32.94 ? 83 HIS C CE1 1 ATOM 2747 N NE2 . HIS E 1 75 ? 17.868 2.548 54.403 1.00 31.99 ? 83 HIS C NE2 1 ATOM 2748 N N . ILE E 1 76 ? 24.137 3.965 53.378 1.00 21.28 ? 84 ILE C N 1 ATOM 2749 C CA . ILE E 1 76 ? 25.517 4.415 53.488 1.00 19.92 ? 84 ILE C CA 1 ATOM 2750 C C . ILE E 1 76 ? 25.828 4.782 54.937 1.00 22.21 ? 84 ILE C C 1 ATOM 2751 O O . ILE E 1 76 ? 26.862 4.389 55.479 1.00 25.09 ? 84 ILE C O 1 ATOM 2752 C CB . ILE E 1 76 ? 25.775 5.614 52.547 1.00 21.47 ? 84 ILE C CB 1 ATOM 2753 C CG1 . ILE E 1 76 ? 25.774 5.144 51.093 1.00 22.02 ? 84 ILE C CG1 1 ATOM 2754 C CG2 . ILE E 1 76 ? 27.083 6.326 52.899 1.00 22.43 ? 84 ILE C CG2 1 ATOM 2755 C CD1 . ILE E 1 76 ? 25.769 6.270 50.080 1.00 18.84 ? 84 ILE C CD1 1 ATOM 2756 N N . GLU E 1 77 ? 24.918 5.519 55.564 1.00 21.09 ? 85 GLU C N 1 ATOM 2757 C CA . GLU E 1 77 ? 25.100 5.961 56.946 1.00 23.95 ? 85 GLU C CA 1 ATOM 2758 C C . GLU E 1 77 ? 24.152 5.264 57.895 1.00 25.50 ? 85 GLU C C 1 ATOM 2759 O O . GLU E 1 77 ? 22.946 5.160 57.634 1.00 28.94 ? 85 GLU C O 1 ATOM 2760 C CB . GLU E 1 77 ? 24.901 7.472 57.078 1.00 24.33 ? 85 GLU C CB 1 ATOM 2761 C CG . GLU E 1 77 ? 25.989 8.306 56.451 1.00 29.12 ? 85 GLU C CG 1 ATOM 2762 C CD . GLU E 1 77 ? 25.773 9.795 56.668 1.00 33.97 ? 85 GLU C CD 1 ATOM 2763 O OE1 . GLU E 1 77 ? 24.955 10.171 57.539 1.00 35.16 ? 85 GLU C OE1 1 ATOM 2764 O OE2 . GLU E 1 77 ? 26.418 10.590 55.960 1.00 36.21 ? 85 GLU C OE2 1 ATOM 2765 N N . GLN E 1 78 ? 24.708 4.796 59.006 1.00 23.68 ? 86 GLN C N 1 ATOM 2766 C CA . GLN E 1 78 ? 23.915 4.383 60.152 1.00 24.72 ? 86 GLN C CA 1 ATOM 2767 C C . GLN E 1 78 ? 23.190 5.601 60.718 1.00 33.36 ? 86 GLN C C 1 ATOM 2768 O O . GLN E 1 78 ? 23.719 6.716 60.702 1.00 32.23 ? 86 GLN C O 1 ATOM 2769 C CB . GLN E 1 78 ? 24.807 3.739 61.220 1.00 33.02 ? 86 GLN C CB 1 ATOM 2770 C CG . GLN E 1 78 ? 25.656 2.598 60.670 1.00 35.35 ? 86 GLN C CG 1 ATOM 2771 C CD . GLN E 1 78 ? 26.586 1.989 61.707 1.00 37.84 ? 86 GLN C CD 1 ATOM 2772 O OE1 . GLN E 1 78 ? 26.522 2.315 62.890 1.00 38.46 ? 86 GLN C OE1 1 ATOM 2773 N NE2 . GLN E 1 78 ? 27.454 1.087 61.259 1.00 43.19 ? 86 GLN C NE2 1 ATOM 2774 N N . GLY E 1 79 ? 21.980 5.391 61.217 1.00 31.14 ? 87 GLY C N 1 ATOM 2775 C CA . GLY E 1 79 ? 21.210 6.489 61.769 1.00 32.93 ? 87 GLY C CA 1 ATOM 2776 C C . GLY E 1 79 ? 19.902 6.014 62.351 1.00 32.33 ? 87 GLY C C 1 ATOM 2777 O O . GLY E 1 79 ? 19.457 4.904 62.067 1.00 29.63 ? 87 GLY C O 1 ATOM 2778 N N . GLY E 1 80 ? 19.282 6.859 63.165 1.00 34.60 ? 88 GLY C N 1 ATOM 2779 C CA . GLY E 1 80 ? 18.035 6.509 63.812 1.00 35.78 ? 88 GLY C CA 1 ATOM 2780 C C . GLY E 1 80 ? 16.928 6.129 62.852 1.00 33.31 ? 88 GLY C C 1 ATOM 2781 O O . GLY E 1 80 ? 16.115 5.266 63.168 1.00 32.13 ? 88 GLY C O 1 ATOM 2782 N N . LEU E 1 81 ? 16.898 6.754 61.676 1.00 26.94 ? 89 LEU C N 1 ATOM 2783 C CA . LEU E 1 81 ? 15.810 6.502 60.735 1.00 26.46 ? 89 LEU C CA 1 ATOM 2784 C C . LEU E 1 81 ? 16.053 5.298 59.837 1.00 27.02 ? 89 LEU C C 1 ATOM 2785 O O . LEU E 1 81 ? 15.238 5.001 58.966 1.00 27.80 ? 89 LEU C O 1 ATOM 2786 C CB . LEU E 1 81 ? 15.548 7.745 59.887 1.00 29.55 ? 89 LEU C CB 1 ATOM 2787 C CG . LEU E 1 81 ? 14.826 8.863 60.646 1.00 32.47 ? 89 LEU C CG 1 ATOM 2788 C CD1 . LEU E 1 81 ? 14.787 10.127 59.810 1.00 36.50 ? 89 LEU C CD1 1 ATOM 2789 C CD2 . LEU E 1 81 ? 13.410 8.442 61.060 1.00 28.79 ? 89 LEU C CD2 1 ATOM 2790 N N . VAL E 1 82 ? 17.161 4.593 60.057 1.00 25.68 ? 90 VAL C N 1 ATOM 2791 C CA . VAL E 1 82 ? 17.427 3.364 59.323 1.00 25.14 ? 90 VAL C CA 1 ATOM 2792 C C . VAL E 1 82 ? 16.899 2.143 60.067 1.00 26.02 ? 90 VAL C C 1 ATOM 2793 O O . VAL E 1 82 ? 17.224 1.915 61.232 1.00 26.99 ? 90 VAL C O 1 ATOM 2794 C CB . VAL E 1 82 ? 18.938 3.165 59.063 1.00 26.82 ? 90 VAL C CB 1 ATOM 2795 C CG1 . VAL E 1 82 ? 19.173 1.871 58.281 1.00 26.61 ? 90 VAL C CG1 1 ATOM 2796 C CG2 . VAL E 1 82 ? 19.502 4.354 58.322 1.00 27.79 ? 90 VAL C CG2 1 ATOM 2797 N N . LYS E 1 83 ? 16.083 1.352 59.383 1.00 25.71 ? 91 LYS C N 1 ATOM 2798 C CA . LYS E 1 83 ? 15.555 0.125 59.971 1.00 26.48 ? 91 LYS C CA 1 ATOM 2799 C C . LYS E 1 83 ? 16.657 -0.905 60.149 1.00 26.58 ? 91 LYS C C 1 ATOM 2800 O O . LYS E 1 83 ? 17.495 -1.062 59.270 1.00 27.13 ? 91 LYS C O 1 ATOM 2801 C CB . LYS E 1 83 ? 14.463 -0.463 59.095 1.00 27.16 ? 91 LYS C CB 1 ATOM 2802 C CG . LYS E 1 83 ? 13.121 0.228 59.209 1.00 27.03 ? 91 LYS C CG 1 ATOM 2803 C CD . LYS E 1 83 ? 12.147 -0.459 58.272 1.00 28.73 ? 91 LYS C CD 1 ATOM 2804 C CE . LYS E 1 83 ? 10.753 0.113 58.414 1.00 32.25 ? 91 LYS C CE 1 ATOM 2805 N NZ . LYS E 1 83 ? 9.791 -0.714 57.637 1.00 35.04 ? 91 LYS C NZ 1 ATOM 2806 N N . PRO E 1 84 ? 16.655 -1.605 61.288 1.00 27.73 ? 92 PRO C N 1 ATOM 2807 C CA . PRO E 1 84 ? 17.573 -2.732 61.468 1.00 30.73 ? 92 PRO C CA 1 ATOM 2808 C C . PRO E 1 84 ? 17.358 -3.799 60.399 1.00 30.57 ? 92 PRO C C 1 ATOM 2809 O O . PRO E 1 84 ? 16.239 -3.992 59.924 1.00 30.26 ? 92 PRO C O 1 ATOM 2810 C CB . PRO E 1 84 ? 17.223 -3.270 62.864 1.00 33.36 ? 92 PRO C CB 1 ATOM 2811 C CG . PRO E 1 84 ? 15.940 -2.569 63.267 1.00 35.39 ? 92 PRO C CG 1 ATOM 2812 C CD . PRO E 1 84 ? 15.900 -1.290 62.511 1.00 30.71 ? 92 PRO C CD 1 ATOM 2813 N N . GLU E 1 85 ? 18.437 -4.477 60.025 1.00 29.59 ? 93 GLU C N 1 ATOM 2814 C CA . GLU E 1 85 ? 18.381 -5.512 59.003 1.00 31.86 ? 93 GLU C CA 1 ATOM 2815 C C . GLU E 1 85 ? 17.314 -6.570 59.308 1.00 31.52 ? 93 GLU C C 1 ATOM 2816 O O . GLU E 1 85 ? 16.665 -7.088 58.398 1.00 31.98 ? 93 GLU C O 1 ATOM 2817 C CB . GLU E 1 85 ? 19.759 -6.164 58.857 1.00 39.17 ? 93 GLU C CB 1 ATOM 2818 C CG . GLU E 1 85 ? 19.876 -7.056 57.649 1.00 48.58 ? 93 GLU C CG 1 ATOM 2819 C CD . GLU E 1 85 ? 21.302 -7.453 57.328 1.00 55.59 ? 93 GLU C CD 1 ATOM 2820 O OE1 . GLU E 1 85 ? 22.197 -6.593 57.446 1.00 55.98 ? 93 GLU C OE1 1 ATOM 2821 O OE2 . GLU E 1 85 ? 21.519 -8.630 56.957 1.00 60.42 ? 93 GLU C OE2 1 ATOM 2822 N N . ARG E 1 86 ? 17.132 -6.870 60.593 1.00 30.26 ? 94 ARG C N 1 ATOM 2823 C CA . ARG E 1 86 ? 16.135 -7.836 61.042 1.00 34.53 ? 94 ARG C CA 1 ATOM 2824 C C . ARG E 1 86 ? 14.733 -7.468 60.567 1.00 32.65 ? 94 ARG C C 1 ATOM 2825 O O . ARG E 1 86 ? 13.915 -8.340 60.283 1.00 33.46 ? 94 ARG C O 1 ATOM 2826 C CB . ARG E 1 86 ? 16.130 -7.939 62.571 1.00 41.74 ? 94 ARG C CB 1 ATOM 2827 C CG . ARG E 1 86 ? 15.609 -6.675 63.249 1.00 51.22 ? 94 ARG C CG 1 ATOM 2828 C CD . ARG E 1 86 ? 15.479 -6.811 64.773 1.00 58.76 ? 94 ARG C CD 1 ATOM 2829 N NE . ARG E 1 86 ? 15.219 -5.514 65.403 1.00 63.07 ? 94 ARG C NE 1 ATOM 2830 C CZ . ARG E 1 86 ? 14.856 -5.342 66.672 1.00 67.65 ? 94 ARG C CZ 1 ATOM 2831 N NH1 . ARG E 1 86 ? 14.700 -6.390 67.473 1.00 70.11 ? 94 ARG C NH1 1 ATOM 2832 N NH2 . ARG E 1 86 ? 14.648 -4.115 67.142 1.00 68.19 ? 94 ARG C NH2 1 ATOM 2833 N N . ASP E 1 87 ? 14.459 -6.170 60.494 1.00 29.48 ? 95 ASP C N 1 ATOM 2834 C CA . ASP E 1 87 ? 13.143 -5.683 60.112 1.00 28.41 ? 95 ASP C CA 1 ATOM 2835 C C . ASP E 1 87 ? 12.972 -5.556 58.606 1.00 26.69 ? 95 ASP C C 1 ATOM 2836 O O . ASP E 1 87 ? 11.873 -5.737 58.078 1.00 26.48 ? 95 ASP C O 1 ATOM 2837 C CB . ASP E 1 87 ? 12.874 -4.322 60.763 1.00 31.19 ? 95 ASP C CB 1 ATOM 2838 C CG . ASP E 1 87 ? 12.860 -4.387 62.278 1.00 37.28 ? 95 ASP C CG 1 ATOM 2839 O OD1 . ASP E 1 87 ? 12.647 -5.483 62.841 1.00 41.35 ? 95 ASP C OD1 1 ATOM 2840 O OD2 . ASP E 1 87 ? 13.055 -3.333 62.912 1.00 38.70 ? 95 ASP C OD2 1 ATOM 2841 N N . ASP E 1 88 ? 14.062 -5.218 57.922 1.00 25.84 ? 96 ASP C N 1 ATOM 2842 C CA . ASP E 1 88 ? 14.036 -4.994 56.484 1.00 24.62 ? 96 ASP C CA 1 ATOM 2843 C C . ASP E 1 88 ? 15.432 -5.193 55.899 1.00 23.98 ? 96 ASP C C 1 ATOM 2844 O O . ASP E 1 88 ? 16.359 -4.438 56.214 1.00 24.22 ? 96 ASP C O 1 ATOM 2845 C CB . ASP E 1 88 ? 13.513 -3.578 56.173 1.00 28.22 ? 96 ASP C CB 1 ATOM 2846 C CG . ASP E 1 88 ? 13.517 -3.242 54.679 1.00 30.60 ? 96 ASP C CG 1 ATOM 2847 O OD1 . ASP E 1 88 ? 13.851 -4.103 53.838 1.00 27.52 ? 96 ASP C OD1 1 ATOM 2848 O OD2 . ASP E 1 88 ? 13.165 -2.092 54.337 1.00 35.01 ? 96 ASP C OD2 1 ATOM 2849 N N . THR E 1 89 ? 15.581 -6.214 55.056 1.00 23.49 ? 97 THR C N 1 ATOM 2850 C CA . THR E 1 89 ? 16.803 -6.383 54.279 1.00 22.82 ? 97 THR C CA 1 ATOM 2851 C C . THR E 1 89 ? 16.479 -6.357 52.794 1.00 23.83 ? 97 THR C C 1 ATOM 2852 O O . THR E 1 89 ? 15.491 -6.942 52.354 1.00 22.59 ? 97 THR C O 1 ATOM 2853 C CB . THR E 1 89 ? 17.530 -7.709 54.586 1.00 24.86 ? 97 THR C CB 1 ATOM 2854 O OG1 . THR E 1 89 ? 17.792 -7.810 55.988 1.00 29.63 ? 97 THR C OG1 1 ATOM 2855 C CG2 . THR E 1 89 ? 18.853 -7.771 53.837 1.00 28.49 ? 97 THR C CG2 1 ATOM 2856 N N . GLU E 1 90 ? 17.326 -5.699 52.018 1.00 22.07 ? 98 GLU C N 1 ATOM 2857 C CA . GLU E 1 90 ? 17.101 -5.595 50.584 1.00 20.15 ? 98 GLU C CA 1 ATOM 2858 C C . GLU E 1 90 ? 18.165 -6.353 49.813 1.00 21.35 ? 98 GLU C C 1 ATOM 2859 O O . GLU E 1 90 ? 19.361 -6.159 50.043 1.00 19.98 ? 98 GLU C O 1 ATOM 2860 C CB . GLU E 1 90 ? 17.077 -4.125 50.158 1.00 19.83 ? 98 GLU C CB 1 ATOM 2861 C CG . GLU E 1 90 ? 16.761 -3.922 48.691 1.00 22.73 ? 98 GLU C CG 1 ATOM 2862 C CD . GLU E 1 90 ? 16.711 -2.447 48.320 1.00 29.40 ? 98 GLU C CD 1 ATOM 2863 O OE1 . GLU E 1 90 ? 16.725 -1.611 49.240 1.00 31.77 ? 98 GLU C OE1 1 ATOM 2864 O OE2 . GLU E 1 90 ? 16.675 -2.131 47.115 1.00 33.96 ? 98 GLU C OE2 1 ATOM 2865 N N . PHE E 1 91 ? 17.724 -7.236 48.916 1.00 19.99 ? 99 PHE C N 1 ATOM 2866 C CA . PHE E 1 91 ? 18.625 -8.049 48.110 1.00 19.08 ? 99 PHE C CA 1 ATOM 2867 C C . PHE E 1 91 ? 18.417 -7.756 46.629 1.00 19.11 ? 99 PHE C C 1 ATOM 2868 O O . PHE E 1 91 ? 17.325 -7.343 46.231 1.00 19.50 ? 99 PHE C O 1 ATOM 2869 C CB . PHE E 1 91 ? 18.388 -9.540 48.348 1.00 19.52 ? 99 PHE C CB 1 ATOM 2870 C CG . PHE E 1 91 ? 18.645 -10.006 49.756 1.00 20.47 ? 99 PHE C CG 1 ATOM 2871 C CD1 . PHE E 1 91 ? 19.939 -10.189 50.217 1.00 24.18 ? 99 PHE C CD1 1 ATOM 2872 C CD2 . PHE E 1 91 ? 17.587 -10.329 50.591 1.00 26.71 ? 99 PHE C CD2 1 ATOM 2873 C CE1 . PHE E 1 91 ? 20.174 -10.657 51.508 1.00 25.71 ? 99 PHE C CE1 1 ATOM 2874 C CE2 . PHE E 1 91 ? 17.809 -10.804 51.874 1.00 26.95 ? 99 PHE C CE2 1 ATOM 2875 C CZ . PHE E 1 91 ? 19.106 -10.967 52.336 1.00 25.79 ? 99 PHE C CZ 1 ATOM 2876 N N . GLN E 1 92 ? 19.438 -7.993 45.804 1.00 17.89 ? 100 GLN C N 1 ATOM 2877 C CA . GLN E 1 92 ? 19.260 -7.812 44.368 1.00 17.20 ? 100 GLN C CA 1 ATOM 2878 C C . GLN E 1 92 ? 20.249 -8.582 43.506 1.00 20.03 ? 100 GLN C C 1 ATOM 2879 O O . GLN E 1 92 ? 21.356 -8.916 43.930 1.00 20.25 ? 100 GLN C O 1 ATOM 2880 C CB . GLN E 1 92 ? 19.331 -6.320 44.022 1.00 19.48 ? 100 GLN C CB 1 ATOM 2881 C CG . GLN E 1 92 ? 20.712 -5.755 44.115 1.00 19.41 ? 100 GLN C CG 1 ATOM 2882 C CD . GLN E 1 92 ? 20.741 -4.291 43.747 1.00 21.11 ? 100 GLN C CD 1 ATOM 2883 O OE1 . GLN E 1 92 ? 19.724 -3.603 43.826 1.00 18.23 ? 100 GLN C OE1 1 ATOM 2884 N NE2 . GLN E 1 92 ? 21.901 -3.810 43.333 1.00 21.88 ? 100 GLN C NE2 1 ATOM 2885 N N . HIS E 1 93 ? 19.815 -8.857 42.279 1.00 19.00 ? 101 HIS C N 1 ATOM 2886 C CA . HIS E 1 93 ? 20.655 -9.429 41.237 1.00 19.64 ? 101 HIS C CA 1 ATOM 2887 C C . HIS E 1 93 ? 20.204 -8.827 39.914 1.00 20.09 ? 101 HIS C C 1 ATOM 2888 O O . HIS E 1 93 ? 19.006 -8.717 39.674 1.00 19.85 ? 101 HIS C O 1 ATOM 2889 C CB . HIS E 1 93 ? 20.529 -10.958 41.203 1.00 19.54 ? 101 HIS C CB 1 ATOM 2890 C CG . HIS E 1 93 ? 21.492 -11.613 40.263 1.00 21.50 ? 101 HIS C CG 1 ATOM 2891 N ND1 . HIS E 1 93 ? 21.438 -11.430 38.898 1.00 23.49 ? 101 HIS C ND1 1 ATOM 2892 C CD2 . HIS E 1 93 ? 22.550 -12.428 40.490 1.00 24.93 ? 101 HIS C CD2 1 ATOM 2893 C CE1 . HIS E 1 93 ? 22.417 -12.108 38.325 1.00 25.95 ? 101 HIS C CE1 1 ATOM 2894 N NE2 . HIS E 1 93 ? 23.108 -12.721 39.270 1.00 25.77 ? 101 HIS C NE2 1 ATOM 2895 N N . PRO E 1 94 ? 21.147 -8.431 39.046 1.00 20.86 ? 102 PRO C N 1 ATOM 2896 C CA . PRO E 1 94 ? 20.699 -7.769 37.810 1.00 23.71 ? 102 PRO C CA 1 ATOM 2897 C C . PRO E 1 94 ? 19.770 -8.610 36.901 1.00 28.75 ? 102 PRO C C 1 ATOM 2898 O O . PRO E 1 94 ? 19.067 -8.042 36.068 1.00 21.81 ? 102 PRO C O 1 ATOM 2899 C CB . PRO E 1 94 ? 22.019 -7.437 37.084 1.00 25.83 ? 102 PRO C CB 1 ATOM 2900 C CG . PRO E 1 94 ? 23.099 -8.156 37.826 1.00 25.60 ? 102 PRO C CG 1 ATOM 2901 C CD . PRO E 1 94 ? 22.615 -8.404 39.211 1.00 22.41 ? 102 PRO C CD 1 ATOM 2902 N N . CYS E 1 95 ? 19.732 -9.922 37.069 1.00 21.22 ? 103 CYS C N 1 ATOM 2903 C CA . CYS E 1 95 ? 18.827 -10.724 36.241 1.00 21.33 ? 103 CYS C CA 1 ATOM 2904 C C . CYS E 1 95 ? 17.673 -11.306 37.041 1.00 20.53 ? 103 CYS C C 1 ATOM 2905 O O . CYS E 1 95 ? 16.989 -12.216 36.574 1.00 20.55 ? 103 CYS C O 1 ATOM 2906 C CB . CYS E 1 95 ? 19.582 -11.846 35.540 1.00 21.90 ? 103 CYS C CB 1 ATOM 2907 S SG . CYS E 1 95 ? 20.858 -11.233 34.411 1.00 32.10 ? 103 CYS C SG 1 ATOM 2908 N N . PHE E 1 96 ? 17.448 -10.763 38.230 1.00 19.91 ? 104 PHE C N 1 ATOM 2909 C CA . PHE E 1 96 ? 16.312 -11.150 39.064 1.00 19.21 ? 104 PHE C CA 1 ATOM 2910 C C . PHE E 1 96 ? 15.358 -9.961 39.146 1.00 19.75 ? 104 PHE C C 1 ATOM 2911 O O . PHE E 1 96 ? 15.499 -9.103 40.025 1.00 18.86 ? 104 PHE C O 1 ATOM 2912 C CB . PHE E 1 96 ? 16.780 -11.582 40.462 1.00 18.66 ? 104 PHE C CB 1 ATOM 2913 C CG . PHE E 1 96 ? 15.707 -12.238 41.287 1.00 18.46 ? 104 PHE C CG 1 ATOM 2914 C CD1 . PHE E 1 96 ? 15.413 -13.582 41.121 1.00 19.24 ? 104 PHE C CD1 1 ATOM 2915 C CD2 . PHE E 1 96 ? 15.011 -11.513 42.234 1.00 17.58 ? 104 PHE C CD2 1 ATOM 2916 C CE1 . PHE E 1 96 ? 14.413 -14.193 41.886 1.00 19.73 ? 104 PHE C CE1 1 ATOM 2917 C CE2 . PHE E 1 96 ? 14.014 -12.104 43.007 1.00 17.08 ? 104 PHE C CE2 1 ATOM 2918 C CZ . PHE E 1 96 ? 13.720 -13.458 42.834 1.00 20.42 ? 104 PHE C CZ 1 ATOM 2919 N N . LEU E 1 97 ? 14.398 -9.908 38.222 1.00 19.45 ? 105 LEU C N 1 ATOM 2920 C CA . LEU E 1 97 ? 13.593 -8.698 38.038 1.00 19.69 ? 105 LEU C CA 1 ATOM 2921 C C . LEU E 1 97 ? 12.110 -9.001 38.014 1.00 19.56 ? 105 LEU C C 1 ATOM 2922 O O . LEU E 1 97 ? 11.684 -10.043 37.483 1.00 20.15 ? 105 LEU C O 1 ATOM 2923 C CB . LEU E 1 97 ? 13.967 -7.980 36.739 1.00 20.59 ? 105 LEU C CB 1 ATOM 2924 C CG . LEU E 1 97 ? 15.448 -7.632 36.542 1.00 22.15 ? 105 LEU C CG 1 ATOM 2925 C CD1 . LEU E 1 97 ? 15.683 -7.019 35.174 1.00 24.31 ? 105 LEU C CD1 1 ATOM 2926 C CD2 . LEU E 1 97 ? 15.924 -6.689 37.635 1.00 20.66 ? 105 LEU C CD2 1 ATOM 2927 N N . ARG E 1 98 ? 11.321 -8.077 38.556 1.00 19.50 ? 106 ARG C N 1 ATOM 2928 C CA . ARG E 1 98 ? 9.867 -8.212 38.524 1.00 19.55 ? 106 ARG C CA 1 ATOM 2929 C C . ARG E 1 98 ? 9.381 -8.334 37.078 1.00 22.47 ? 106 ARG C C 1 ATOM 2930 O O . ARG E 1 98 ? 9.841 -7.599 36.193 1.00 24.60 ? 106 ARG C O 1 ATOM 2931 C CB . ARG E 1 98 ? 9.201 -7.018 39.215 1.00 19.88 ? 106 ARG C CB 1 ATOM 2932 C CG . ARG E 1 98 ? 7.678 -7.096 39.265 1.00 19.77 ? 106 ARG C CG 1 ATOM 2933 C CD . ARG E 1 98 ? 7.114 -5.875 39.977 1.00 22.25 ? 106 ARG C CD 1 ATOM 2934 N NE . ARG E 1 98 ? 7.472 -4.641 39.282 1.00 23.82 ? 106 ARG C NE 1 ATOM 2935 C CZ . ARG E 1 98 ? 7.728 -3.486 39.894 1.00 26.39 ? 106 ARG C CZ 1 ATOM 2936 N NH1 . ARG E 1 98 ? 7.660 -3.395 41.220 1.00 27.20 ? 106 ARG C NH1 1 ATOM 2937 N NH2 . ARG E 1 98 ? 8.067 -2.423 39.180 1.00 26.11 ? 106 ARG C NH2 1 ATOM 2938 N N . GLY E 1 99 ? 8.468 -9.276 36.833 1.00 20.31 ? 107 GLY C N 1 ATOM 2939 C CA . GLY E 1 99 ? 7.875 -9.437 35.516 1.00 22.25 ? 107 GLY C CA 1 ATOM 2940 C C . GLY E 1 99 ? 8.747 -10.030 34.415 1.00 22.28 ? 107 GLY C C 1 ATOM 2941 O O . GLY E 1 99 ? 8.359 -10.035 33.238 1.00 24.39 ? 107 GLY C O 1 ATOM 2942 N N . GLN E 1 100 ? 9.911 -10.557 34.784 1.00 21.11 ? 108 GLN C N 1 ATOM 2943 C CA . GLN E 1 100 ? 10.846 -11.049 33.786 1.00 23.98 ? 108 GLN C CA 1 ATOM 2944 C C . GLN E 1 100 ? 11.456 -12.371 34.238 1.00 23.42 ? 108 GLN C C 1 ATOM 2945 O O . GLN E 1 100 ? 12.675 -12.489 34.373 1.00 22.92 ? 108 GLN C O 1 ATOM 2946 C CB . GLN E 1 100 ? 11.949 -10.013 33.529 1.00 25.95 ? 108 GLN C CB 1 ATOM 2947 C CG . GLN E 1 100 ? 11.447 -8.586 33.359 1.00 31.44 ? 108 GLN C CG 1 ATOM 2948 C CD . GLN E 1 100 ? 10.931 -8.302 31.961 1.00 42.78 ? 108 GLN C CD 1 ATOM 2949 O OE1 . GLN E 1 100 ? 11.359 -8.926 30.993 1.00 49.27 ? 108 GLN C OE1 1 ATOM 2950 N NE2 . GLN E 1 100 ? 10.003 -7.355 31.849 1.00 46.72 ? 108 GLN C NE2 1 ATOM 2951 N N . GLU E 1 101 ? 10.617 -13.371 34.476 1.00 20.83 ? 109 GLU C N 1 ATOM 2952 C CA . GLU E 1 101 ? 11.122 -14.646 34.982 1.00 20.43 ? 109 GLU C CA 1 ATOM 2953 C C . GLU E 1 101 ? 12.038 -15.327 33.968 1.00 24.08 ? 109 GLU C C 1 ATOM 2954 O O . GLU E 1 101 ? 12.866 -16.150 34.341 1.00 24.27 ? 109 GLU C O 1 ATOM 2955 C CB . GLU E 1 101 ? 9.980 -15.599 35.364 1.00 22.08 ? 109 GLU C CB 1 ATOM 2956 C CG . GLU E 1 101 ? 10.486 -16.792 36.174 1.00 22.53 ? 109 GLU C CG 1 ATOM 2957 C CD . GLU E 1 101 ? 9.391 -17.762 36.588 1.00 24.40 ? 109 GLU C CD 1 ATOM 2958 O OE1 . GLU E 1 101 ? 8.354 -17.832 35.897 1.00 24.93 ? 109 GLU C OE1 1 ATOM 2959 O OE2 . GLU E 1 101 ? 9.569 -18.437 37.625 1.00 26.78 ? 109 GLU C OE2 1 ATOM 2960 N N . GLN E 1 102 ? 11.908 -14.974 32.692 1.00 26.19 ? 110 GLN C N 1 ATOM 2961 C CA . GLN E 1 102 ? 12.731 -15.613 31.674 1.00 28.31 ? 110 GLN C CA 1 ATOM 2962 C C . GLN E 1 102 ? 14.196 -15.204 31.815 1.00 26.79 ? 110 GLN C C 1 ATOM 2963 O O . GLN E 1 102 ? 15.075 -15.881 31.287 1.00 27.02 ? 110 GLN C O 1 ATOM 2964 C CB . GLN E 1 102 ? 12.225 -15.291 30.263 1.00 29.83 ? 110 GLN C CB 1 ATOM 2965 C CG . GLN E 1 102 ? 12.673 -13.950 29.707 1.00 28.80 ? 110 GLN C CG 1 ATOM 2966 C CD . GLN E 1 102 ? 11.893 -12.776 30.261 1.00 28.97 ? 110 GLN C CD 1 ATOM 2967 O OE1 . GLN E 1 102 ? 10.981 -12.939 31.074 1.00 27.23 ? 110 GLN C OE1 1 ATOM 2968 N NE2 . GLN E 1 102 ? 12.242 -11.581 29.813 1.00 31.83 ? 110 GLN C NE2 1 ATOM 2969 N N . LEU E 1 103 ? 14.454 -14.121 32.549 1.00 23.24 ? 111 LEU C N 1 ATOM 2970 C CA . LEU E 1 103 ? 15.818 -13.634 32.739 1.00 24.60 ? 111 LEU C CA 1 ATOM 2971 C C . LEU E 1 103 ? 16.612 -14.475 33.732 1.00 22.45 ? 111 LEU C C 1 ATOM 2972 O O . LEU E 1 103 ? 17.833 -14.339 33.805 1.00 24.18 ? 111 LEU C O 1 ATOM 2973 C CB . LEU E 1 103 ? 15.825 -12.176 33.207 1.00 28.40 ? 111 LEU C CB 1 ATOM 2974 C CG . LEU E 1 103 ? 15.662 -11.075 32.157 1.00 30.48 ? 111 LEU C CG 1 ATOM 2975 C CD1 . LEU E 1 103 ? 15.763 -9.703 32.816 1.00 25.64 ? 111 LEU C CD1 1 ATOM 2976 C CD2 . LEU E 1 103 ? 16.709 -11.232 31.065 1.00 34.48 ? 111 LEU C CD2 1 ATOM 2977 N N . LEU E 1 104 ? 15.931 -15.344 34.485 1.00 21.83 ? 112 LEU C N 1 ATOM 2978 C CA . LEU E 1 104 ? 16.620 -16.183 35.471 1.00 21.94 ? 112 LEU C CA 1 ATOM 2979 C C . LEU E 1 104 ? 17.681 -17.067 34.827 1.00 25.83 ? 112 LEU C C 1 ATOM 2980 O O . LEU E 1 104 ? 18.643 -17.464 35.476 1.00 21.92 ? 112 LEU C O 1 ATOM 2981 C CB . LEU E 1 104 ? 15.632 -17.066 36.235 1.00 21.28 ? 112 LEU C CB 1 ATOM 2982 C CG . LEU E 1 104 ? 14.609 -16.377 37.144 1.00 20.71 ? 112 LEU C CG 1 ATOM 2983 C CD1 . LEU E 1 104 ? 13.720 -17.422 37.797 1.00 19.63 ? 112 LEU C CD1 1 ATOM 2984 C CD2 . LEU E 1 104 ? 15.306 -15.518 38.192 1.00 21.64 ? 112 LEU C CD2 1 ATOM 2985 N N . GLU E 1 105 ? 17.522 -17.371 33.546 1.00 26.55 ? 113 GLU C N 1 ATOM 2986 C CA . GLU E 1 105 ? 18.452 -18.299 32.914 1.00 29.88 ? 113 GLU C CA 1 ATOM 2987 C C . GLU E 1 105 ? 19.848 -17.693 32.830 1.00 30.96 ? 113 GLU C C 1 ATOM 2988 O O . GLU E 1 105 ? 20.826 -18.406 32.633 1.00 29.28 ? 113 GLU C O 1 ATOM 2989 C CB . GLU E 1 105 ? 17.955 -18.709 31.527 1.00 36.53 ? 113 GLU C CB 1 ATOM 2990 C CG . GLU E 1 105 ? 17.815 -17.578 30.542 1.00 41.90 ? 113 GLU C CG 1 ATOM 2991 C CD . GLU E 1 105 ? 17.344 -18.057 29.180 1.00 50.26 ? 113 GLU C CD 1 ATOM 2992 O OE1 . GLU E 1 105 ? 17.558 -17.329 28.189 1.00 54.39 ? 113 GLU C OE1 1 ATOM 2993 O OE2 . GLU E 1 105 ? 16.757 -19.159 29.097 1.00 50.80 ? 113 GLU C OE2 1 ATOM 2994 N N . ASN E 1 106 ? 19.932 -16.376 33.006 1.00 28.35 ? 114 ASN C N 1 ATOM 2995 C CA . ASN E 1 106 ? 21.204 -15.665 32.988 1.00 32.44 ? 114 ASN C CA 1 ATOM 2996 C C . ASN E 1 106 ? 21.942 -15.674 34.330 1.00 31.85 ? 114 ASN C C 1 ATOM 2997 O O . ASN E 1 106 ? 23.091 -15.225 34.409 1.00 36.72 ? 114 ASN C O 1 ATOM 2998 C CB . ASN E 1 106 ? 20.978 -14.219 32.547 1.00 35.99 ? 114 ASN C CB 1 ATOM 2999 C CG . ASN E 1 106 ? 20.504 -14.114 31.109 1.00 42.65 ? 114 ASN C CG 1 ATOM 3000 O OD1 . ASN E 1 106 ? 21.023 -14.787 30.218 1.00 46.23 ? 114 ASN C OD1 1 ATOM 3001 N ND2 . ASN E 1 106 ? 19.512 -13.267 30.877 1.00 44.14 ? 114 ASN C ND2 1 ATOM 3002 N N . ILE E 1 107 ? 21.291 -16.164 35.382 1.00 27.22 ? 115 ILE C N 1 ATOM 3003 C CA . ILE E 1 107 ? 21.917 -16.212 36.705 1.00 26.65 ? 115 ILE C CA 1 ATOM 3004 C C . ILE E 1 107 ? 22.721 -17.504 36.893 1.00 31.03 ? 115 ILE C C 1 ATOM 3005 O O . ILE E 1 107 ? 22.165 -18.601 36.862 1.00 31.39 ? 115 ILE C O 1 ATOM 3006 C CB . ILE E 1 107 ? 20.881 -16.109 37.836 1.00 25.49 ? 115 ILE C CB 1 ATOM 3007 C CG1 . ILE E 1 107 ? 20.102 -14.795 37.733 1.00 23.09 ? 115 ILE C CG1 1 ATOM 3008 C CG2 . ILE E 1 107 ? 21.565 -16.204 39.200 1.00 23.47 ? 115 ILE C CG2 1 ATOM 3009 C CD1 . ILE E 1 107 ? 18.925 -14.681 38.691 1.00 24.44 ? 115 ILE C CD1 1 ATOM 3010 N N . LYS E 1 108 ? 24.028 -17.366 37.099 1.00 34.25 ? 116 LYS C N 1 ATOM 3011 C CA . LYS E 1 108 ? 24.890 -18.531 37.268 1.00 35.61 ? 116 LYS C CA 1 ATOM 3012 C C . LYS E 1 108 ? 25.415 -18.658 38.696 1.00 34.93 ? 116 LYS C C 1 ATOM 3013 O O . LYS E 1 108 ? 25.544 -17.659 39.403 1.00 32.94 ? 116 LYS C O 1 ATOM 3014 C CB . LYS E 1 108 ? 26.071 -18.466 36.295 1.00 41.67 ? 116 LYS C CB 1 ATOM 3015 C CG . LYS E 1 108 ? 25.678 -18.399 34.829 1.00 47.36 ? 116 LYS C CG 1 ATOM 3016 C CD . LYS E 1 108 ? 24.903 -19.639 34.407 1.00 51.65 ? 116 LYS C CD 1 ATOM 3017 C CE . LYS E 1 108 ? 24.691 -19.672 32.901 1.00 55.26 ? 116 LYS C CE 1 ATOM 3018 N NZ . LYS E 1 108 ? 23.949 -18.474 32.427 1.00 56.46 ? 116 LYS C NZ 1 ATOM 3019 N N . ARG E 1 109 ? 25.718 -19.891 39.107 1.00 34.30 ? 117 ARG C N 1 ATOM 3020 C CA . ARG E 1 109 ? 26.406 -20.151 40.374 1.00 42.16 ? 117 ARG C CA 1 ATOM 3021 C C . ARG E 1 109 ? 27.831 -19.612 40.356 1.00 46.41 ? 117 ARG C C 1 ATOM 3022 O O . ARG E 1 109 ? 28.535 -19.780 39.364 1.00 48.43 ? 117 ARG C O 1 ATOM 3023 C CB . ARG E 1 109 ? 26.462 -21.653 40.684 1.00 46.97 ? 117 ARG C CB 1 ATOM 3024 C CG . ARG E 1 109 ? 25.203 -22.249 41.268 1.00 53.17 ? 117 ARG C CG 1 ATOM 3025 C CD . ARG E 1 109 ? 25.474 -23.634 41.859 1.00 59.83 ? 117 ARG C CD 1 ATOM 3026 N NE . ARG E 1 109 ? 24.240 -24.314 42.252 1.00 63.04 ? 117 ARG C NE 1 ATOM 3027 C CZ . ARG E 1 109 ? 24.193 -25.487 42.878 1.00 65.06 ? 117 ARG C CZ 1 ATOM 3028 N NH1 . ARG E 1 109 ? 25.313 -26.118 43.201 1.00 65.45 ? 117 ARG C NH1 1 ATOM 3029 N NH2 . ARG E 1 109 ? 23.020 -26.024 43.194 1.00 65.20 ? 117 ARG C NH2 1 ATOM 3030 N N . LYS E 1 110 ? 28.224 -18.975 41.461 1.00 50.82 ? 118 LYS C N 1 ATOM 3031 C CA . LYS E 1 110 ? 29.598 -18.537 41.762 1.00 56.66 ? 118 LYS C CA 1 ATOM 3032 C C . LYS E 1 110 ? 29.572 -17.301 42.660 1.00 57.13 ? 118 LYS C C 1 ATOM 3033 O O . LYS E 1 110 ? 29.231 -16.202 42.216 1.00 58.84 ? 118 LYS C O 1 ATOM 3034 C CB . LYS E 1 110 ? 30.412 -18.231 40.498 1.00 60.70 ? 118 LYS C CB 1 ATOM 3035 C CG . LYS E 1 110 ? 31.264 -19.397 40.014 1.00 62.91 ? 118 LYS C CG 1 ATOM 3036 C CD . LYS E 1 110 ? 31.885 -20.123 41.190 1.00 64.52 ? 118 LYS C CD 1 ATOM 3037 C CE . LYS E 1 110 ? 32.656 -21.352 40.753 1.00 66.92 ? 118 LYS C CE 1 ATOM 3038 N NZ . LYS E 1 110 ? 33.238 -22.053 41.927 1.00 68.31 ? 118 LYS C NZ 1 ATOM 3039 N N . HIS F 1 6 ? 14.957 23.214 40.181 1.00 41.62 ? 14 HIS D N 1 ATOM 3040 C CA . HIS F 1 6 ? 16.376 23.221 39.832 1.00 40.02 ? 14 HIS D CA 1 ATOM 3041 C C . HIS F 1 6 ? 17.101 21.999 40.380 1.00 34.35 ? 14 HIS D C 1 ATOM 3042 O O . HIS F 1 6 ? 17.119 21.774 41.589 1.00 33.47 ? 14 HIS D O 1 ATOM 3043 C CB . HIS F 1 6 ? 17.056 24.489 40.351 1.00 42.39 ? 14 HIS D CB 1 ATOM 3044 C CG . HIS F 1 6 ? 18.549 24.458 40.237 1.00 44.89 ? 14 HIS D CG 1 ATOM 3045 N ND1 . HIS F 1 6 ? 19.203 24.505 39.024 1.00 46.29 ? 14 HIS D ND1 1 ATOM 3046 C CD2 . HIS F 1 6 ? 19.516 24.367 41.181 1.00 46.63 ? 14 HIS D CD2 1 ATOM 3047 C CE1 . HIS F 1 6 ? 20.507 24.453 39.226 1.00 47.17 ? 14 HIS D CE1 1 ATOM 3048 N NE2 . HIS F 1 6 ? 20.724 24.366 40.526 1.00 48.43 ? 14 HIS D NE2 1 ATOM 3049 N N . VAL F 1 7 ? 17.710 21.215 39.496 1.00 32.53 ? 15 VAL D N 1 ATOM 3050 C CA . VAL F 1 7 ? 18.448 20.029 39.933 1.00 33.15 ? 15 VAL D CA 1 ATOM 3051 C C . VAL F 1 7 ? 19.801 20.453 40.489 1.00 31.34 ? 15 VAL D C 1 ATOM 3052 O O . VAL F 1 7 ? 20.520 21.206 39.835 1.00 31.74 ? 15 VAL D O 1 ATOM 3053 C CB . VAL F 1 7 ? 18.659 19.024 38.779 1.00 34.10 ? 15 VAL D CB 1 ATOM 3054 C CG1 . VAL F 1 7 ? 19.355 17.767 39.281 1.00 31.26 ? 15 VAL D CG1 1 ATOM 3055 C CG2 . VAL F 1 7 ? 17.330 18.685 38.120 1.00 35.70 ? 15 VAL D CG2 1 ATOM 3056 N N . PRO F 1 8 ? 20.140 19.985 41.702 1.00 29.26 ? 16 PRO D N 1 ATOM 3057 C CA . PRO F 1 8 ? 21.421 20.327 42.345 1.00 30.96 ? 16 PRO D CA 1 ATOM 3058 C C . PRO F 1 8 ? 22.607 20.037 41.440 1.00 30.08 ? 16 PRO D C 1 ATOM 3059 O O . PRO F 1 8 ? 22.628 18.978 40.811 1.00 29.64 ? 16 PRO D O 1 ATOM 3060 C CB . PRO F 1 8 ? 21.469 19.408 43.571 1.00 30.38 ? 16 PRO D CB 1 ATOM 3061 C CG . PRO F 1 8 ? 20.058 19.030 43.834 1.00 30.25 ? 16 PRO D CG 1 ATOM 3062 C CD . PRO F 1 8 ? 19.314 19.092 42.533 1.00 27.69 ? 16 PRO D CD 1 ATOM 3063 N N . ALA F 1 9 ? 23.578 20.940 41.391 1.00 33.11 ? 17 ALA D N 1 ATOM 3064 C CA . ALA F 1 9 ? 24.756 20.753 40.556 1.00 29.71 ? 17 ALA D CA 1 ATOM 3065 C C . ALA F 1 9 ? 25.474 19.451 40.896 1.00 30.71 ? 17 ALA D C 1 ATOM 3066 O O . ALA F 1 9 ? 26.010 18.789 40.007 1.00 30.44 ? 17 ALA D O 1 ATOM 3067 C CB . ALA F 1 9 ? 25.708 21.950 40.702 1.00 31.31 ? 17 ALA D CB 1 ATOM 3068 N N . PHE F 1 10 ? 25.474 19.079 42.174 1.00 28.13 ? 18 PHE D N 1 ATOM 3069 C CA . PHE F 1 10 ? 26.103 17.829 42.595 1.00 27.58 ? 18 PHE D CA 1 ATOM 3070 C C . PHE F 1 10 ? 25.615 16.647 41.764 1.00 27.16 ? 18 PHE D C 1 ATOM 3071 O O . PHE F 1 10 ? 26.416 15.871 41.244 1.00 27.47 ? 18 PHE D O 1 ATOM 3072 C CB . PHE F 1 10 ? 25.846 17.544 44.079 1.00 28.95 ? 18 PHE D CB 1 ATOM 3073 C CG . PHE F 1 10 ? 26.389 16.215 44.536 1.00 27.81 ? 18 PHE D CG 1 ATOM 3074 C CD1 . PHE F 1 10 ? 27.716 16.084 44.926 1.00 30.84 ? 18 PHE D CD1 1 ATOM 3075 C CD2 . PHE F 1 10 ? 25.574 15.093 44.563 1.00 24.62 ? 18 PHE D CD2 1 ATOM 3076 C CE1 . PHE F 1 10 ? 28.223 14.855 45.332 1.00 30.25 ? 18 PHE D CE1 1 ATOM 3077 C CE2 . PHE F 1 10 ? 26.074 13.856 44.966 1.00 27.31 ? 18 PHE D CE2 1 ATOM 3078 C CZ . PHE F 1 10 ? 27.400 13.742 45.356 1.00 25.24 ? 18 PHE D CZ 1 ATOM 3079 N N . LEU F 1 11 ? 24.297 16.527 41.636 1.00 25.87 ? 19 LEU D N 1 ATOM 3080 C CA . LEU F 1 11 ? 23.687 15.391 40.943 1.00 25.17 ? 19 LEU D CA 1 ATOM 3081 C C . LEU F 1 11 ? 23.943 15.424 39.440 1.00 26.33 ? 19 LEU D C 1 ATOM 3082 O O . LEU F 1 11 ? 24.271 14.407 38.833 1.00 26.49 ? 19 LEU D O 1 ATOM 3083 C CB . LEU F 1 11 ? 22.178 15.354 41.223 1.00 23.94 ? 19 LEU D CB 1 ATOM 3084 C CG . LEU F 1 11 ? 21.828 15.077 42.688 1.00 24.70 ? 19 LEU D CG 1 ATOM 3085 C CD1 . LEU F 1 11 ? 20.334 15.248 42.953 1.00 27.26 ? 19 LEU D CD1 1 ATOM 3086 C CD2 . LEU F 1 11 ? 22.273 13.677 43.100 1.00 22.12 ? 19 LEU D CD2 1 ATOM 3087 N N . THR F 1 12 ? 23.797 16.599 38.837 1.00 27.27 ? 20 THR D N 1 ATOM 3088 C CA . THR F 1 12 ? 24.042 16.748 37.407 1.00 31.69 ? 20 THR D CA 1 ATOM 3089 C C . THR F 1 12 ? 25.498 16.433 37.071 1.00 33.51 ? 20 THR D C 1 ATOM 3090 O O . THR F 1 12 ? 25.782 15.695 36.126 1.00 30.45 ? 20 THR D O 1 ATOM 3091 C CB . THR F 1 12 ? 23.695 18.171 36.925 1.00 36.53 ? 20 THR D CB 1 ATOM 3092 O OG1 . THR F 1 12 ? 22.292 18.401 37.108 1.00 37.79 ? 20 THR D OG1 1 ATOM 3093 C CG2 . THR F 1 12 ? 24.040 18.337 35.457 1.00 39.39 ? 20 THR D CG2 1 ATOM 3094 N N . LYS F 1 13 ? 26.414 16.987 37.861 1.00 30.33 ? 21 LYS D N 1 ATOM 3095 C CA . LYS F 1 13 ? 27.835 16.719 37.679 1.00 33.45 ? 21 LYS D CA 1 ATOM 3096 C C . LYS F 1 13 ? 28.125 15.226 37.804 1.00 31.11 ? 21 LYS D C 1 ATOM 3097 O O . LYS F 1 13 ? 28.829 14.662 36.976 1.00 32.24 ? 21 LYS D O 1 ATOM 3098 C CB . LYS F 1 13 ? 28.672 17.517 38.685 1.00 32.17 ? 21 LYS D CB 1 ATOM 3099 C CG . LYS F 1 13 ? 28.695 19.017 38.400 1.00 34.55 ? 21 LYS D CG 1 ATOM 3100 C CD . LYS F 1 13 ? 29.651 19.755 39.328 1.00 37.67 ? 21 LYS D CD 1 ATOM 3101 C CE . LYS F 1 13 ? 29.296 19.537 40.793 1.00 39.59 ? 21 LYS D CE 1 ATOM 3102 N NZ . LYS F 1 13 ? 30.210 20.277 41.720 1.00 42.30 ? 21 LYS D NZ 1 ATOM 3103 N N . LEU F 1 14 ? 27.565 14.592 38.832 1.00 29.50 ? 22 LEU D N 1 ATOM 3104 C CA . LEU F 1 14 ? 27.789 13.173 39.074 1.00 28.98 ? 22 LEU D CA 1 ATOM 3105 C C . LEU F 1 14 ? 27.305 12.311 37.906 1.00 29.07 ? 22 LEU D C 1 ATOM 3106 O O . LEU F 1 14 ? 28.033 11.448 37.413 1.00 29.94 ? 22 LEU D O 1 ATOM 3107 C CB . LEU F 1 14 ? 27.093 12.743 40.365 1.00 27.25 ? 22 LEU D CB 1 ATOM 3108 C CG . LEU F 1 14 ? 27.332 11.306 40.833 1.00 27.39 ? 22 LEU D CG 1 ATOM 3109 C CD1 . LEU F 1 14 ? 28.782 11.099 41.220 1.00 29.57 ? 22 LEU D CD1 1 ATOM 3110 C CD2 . LEU F 1 14 ? 26.419 10.989 41.993 1.00 27.52 ? 22 LEU D CD2 1 ATOM 3111 N N . TRP F 1 15 ? 26.075 12.553 37.463 1.00 28.31 ? 23 TRP D N 1 ATOM 3112 C CA . TRP F 1 15 ? 25.504 11.800 36.347 1.00 28.44 ? 23 TRP D CA 1 ATOM 3113 C C . TRP F 1 15 ? 26.364 11.929 35.093 1.00 30.38 ? 23 TRP D C 1 ATOM 3114 O O . TRP F 1 15 ? 26.581 10.954 34.379 1.00 30.98 ? 23 TRP D O 1 ATOM 3115 C CB . TRP F 1 15 ? 24.069 12.272 36.064 1.00 30.33 ? 23 TRP D CB 1 ATOM 3116 C CG . TRP F 1 15 ? 23.292 11.402 35.093 1.00 27.55 ? 23 TRP D CG 1 ATOM 3117 C CD1 . TRP F 1 15 ? 22.431 10.388 35.404 1.00 26.25 ? 23 TRP D CD1 1 ATOM 3118 C CD2 . TRP F 1 15 ? 23.306 11.490 33.663 1.00 30.63 ? 23 TRP D CD2 1 ATOM 3119 N NE1 . TRP F 1 15 ? 21.915 9.835 34.252 1.00 26.75 ? 23 TRP D NE1 1 ATOM 3120 C CE2 . TRP F 1 15 ? 22.435 10.497 33.171 1.00 28.58 ? 23 TRP D CE2 1 ATOM 3121 C CE3 . TRP F 1 15 ? 23.972 12.315 32.748 1.00 34.21 ? 23 TRP D CE3 1 ATOM 3122 C CZ2 . TRP F 1 15 ? 22.213 10.306 31.803 1.00 29.50 ? 23 TRP D CZ2 1 ATOM 3123 C CZ3 . TRP F 1 15 ? 23.752 12.121 31.394 1.00 34.74 ? 23 TRP D CZ3 1 ATOM 3124 C CH2 . TRP F 1 15 ? 22.880 11.123 30.936 1.00 32.25 ? 23 TRP D CH2 1 ATOM 3125 N N . THR F 1 16 ? 26.853 13.139 34.830 1.00 34.23 ? 24 THR D N 1 ATOM 3126 C CA . THR F 1 16 ? 27.705 13.400 33.676 1.00 33.52 ? 24 THR D CA 1 ATOM 3127 C C . THR F 1 16 ? 29.051 12.698 33.812 1.00 34.60 ? 24 THR D C 1 ATOM 3128 O O . THR F 1 16 ? 29.550 12.102 32.860 1.00 35.95 ? 24 THR D O 1 ATOM 3129 C CB . THR F 1 16 ? 27.945 14.917 33.485 1.00 38.58 ? 24 THR D CB 1 ATOM 3130 O OG1 . THR F 1 16 ? 26.697 15.567 33.212 1.00 38.88 ? 24 THR D OG1 1 ATOM 3131 C CG2 . THR F 1 16 ? 28.906 15.162 32.340 1.00 42.04 ? 24 THR D CG2 1 ATOM 3132 N N . LEU F 1 17 ? 29.633 12.773 35.004 1.00 34.16 ? 25 LEU D N 1 ATOM 3133 C CA . LEU F 1 17 ? 30.914 12.131 35.277 1.00 35.23 ? 25 LEU D CA 1 ATOM 3134 C C . LEU F 1 17 ? 30.800 10.613 35.153 1.00 34.87 ? 25 LEU D C 1 ATOM 3135 O O . LEU F 1 17 ? 31.701 9.950 34.625 1.00 36.40 ? 25 LEU D O 1 ATOM 3136 C CB . LEU F 1 17 ? 31.413 12.508 36.676 1.00 38.33 ? 25 LEU D CB 1 ATOM 3137 C CG . LEU F 1 17 ? 32.638 11.752 37.204 1.00 42.08 ? 25 LEU D CG 1 ATOM 3138 C CD1 . LEU F 1 17 ? 33.874 12.050 36.366 1.00 43.81 ? 25 LEU D CD1 1 ATOM 3139 C CD2 . LEU F 1 17 ? 32.893 12.090 38.668 1.00 39.87 ? 25 LEU D CD2 1 ATOM 3140 N N . VAL F 1 18 ? 29.694 10.060 35.643 1.00 33.00 ? 26 VAL D N 1 ATOM 3141 C CA . VAL F 1 18 ? 29.487 8.622 35.542 1.00 32.64 ? 26 VAL D CA 1 ATOM 3142 C C . VAL F 1 18 ? 29.364 8.222 34.074 1.00 33.86 ? 26 VAL D C 1 ATOM 3143 O O . VAL F 1 18 ? 29.962 7.239 33.628 1.00 34.98 ? 26 VAL D O 1 ATOM 3144 C CB . VAL F 1 18 ? 28.218 8.162 36.310 1.00 30.45 ? 26 VAL D CB 1 ATOM 3145 C CG1 . VAL F 1 18 ? 27.934 6.690 36.034 1.00 30.28 ? 26 VAL D CG1 1 ATOM 3146 C CG2 . VAL F 1 18 ? 28.382 8.402 37.802 1.00 29.40 ? 26 VAL D CG2 1 ATOM 3147 N N . SER F 1 19 ? 28.595 9.010 33.329 1.00 33.79 ? 27 SER D N 1 ATOM 3148 C CA . SER F 1 19 ? 28.261 8.697 31.946 1.00 35.80 ? 27 SER D CA 1 ATOM 3149 C C . SER F 1 19 ? 29.439 8.894 30.989 1.00 37.27 ? 27 SER D C 1 ATOM 3150 O O . SER F 1 19 ? 29.493 8.267 29.933 1.00 38.50 ? 27 SER D O 1 ATOM 3151 C CB . SER F 1 19 ? 27.070 9.550 31.488 1.00 34.13 ? 27 SER D CB 1 ATOM 3152 O OG . SER F 1 19 ? 25.895 9.239 32.223 1.00 32.09 ? 27 SER D OG 1 ATOM 3153 N N . ASP F 1 20 ? 30.376 9.762 31.366 1.00 40.51 ? 28 ASP D N 1 ATOM 3154 C CA . ASP F 1 20 ? 31.513 10.116 30.514 1.00 42.90 ? 28 ASP D CA 1 ATOM 3155 C C . ASP F 1 20 ? 32.452 8.926 30.326 1.00 44.17 ? 28 ASP D C 1 ATOM 3156 O O . ASP F 1 20 ? 33.134 8.514 31.262 1.00 43.36 ? 28 ASP D O 1 ATOM 3157 C CB . ASP F 1 20 ? 32.270 11.303 31.115 1.00 41.03 ? 28 ASP D CB 1 ATOM 3158 C CG . ASP F 1 20 ? 33.346 11.854 30.187 1.00 49.35 ? 28 ASP D CG 1 ATOM 3159 O OD1 . ASP F 1 20 ? 33.365 11.483 28.993 1.00 50.42 ? 28 ASP D OD1 1 ATOM 3160 O OD2 . ASP F 1 20 ? 34.169 12.673 30.652 1.00 48.09 ? 28 ASP D OD2 1 ATOM 3161 N N . PRO F 1 21 ? 32.495 8.374 29.106 1.00 47.85 ? 29 PRO D N 1 ATOM 3162 C CA . PRO F 1 21 ? 33.304 7.182 28.828 1.00 49.09 ? 29 PRO D CA 1 ATOM 3163 C C . PRO F 1 21 ? 34.786 7.392 29.140 1.00 50.68 ? 29 PRO D C 1 ATOM 3164 O O . PRO F 1 21 ? 35.485 6.435 29.471 1.00 51.06 ? 29 PRO D O 1 ATOM 3165 C CB . PRO F 1 21 ? 33.083 6.947 27.329 1.00 53.19 ? 29 PRO D CB 1 ATOM 3166 C CG . PRO F 1 21 ? 32.603 8.256 26.796 1.00 53.27 ? 29 PRO D CG 1 ATOM 3167 C CD . PRO F 1 21 ? 31.824 8.885 27.900 1.00 49.70 ? 29 PRO D CD 1 ATOM 3168 N N . ASP F 1 22 ? 35.249 8.634 29.053 1.00 52.15 ? 30 ASP D N 1 ATOM 3169 C CA . ASP F 1 22 ? 36.649 8.952 29.313 1.00 54.97 ? 30 ASP D CA 1 ATOM 3170 C C . ASP F 1 22 ? 37.043 8.733 30.776 1.00 50.78 ? 30 ASP D C 1 ATOM 3171 O O . ASP F 1 22 ? 38.223 8.590 31.096 1.00 51.53 ? 30 ASP D O 1 ATOM 3172 C CB . ASP F 1 22 ? 36.947 10.401 28.910 1.00 59.56 ? 30 ASP D CB 1 ATOM 3173 C CG . ASP F 1 22 ? 36.927 10.605 27.405 1.00 63.55 ? 30 ASP D CG 1 ATOM 3174 O OD1 . ASP F 1 22 ? 36.977 9.598 26.668 1.00 62.59 ? 30 ASP D OD1 1 ATOM 3175 O OD2 . ASP F 1 22 ? 36.873 11.774 26.960 1.00 66.17 ? 30 ASP D OD2 1 ATOM 3176 N N . THR F 1 23 ? 36.053 8.710 31.662 1.00 46.64 ? 31 THR D N 1 ATOM 3177 C CA . THR F 1 23 ? 36.321 8.532 33.081 1.00 44.49 ? 31 THR D CA 1 ATOM 3178 C C . THR F 1 23 ? 36.009 7.119 33.550 1.00 43.54 ? 31 THR D C 1 ATOM 3179 O O . THR F 1 23 ? 36.162 6.808 34.731 1.00 42.58 ? 31 THR D O 1 ATOM 3180 C CB . THR F 1 23 ? 35.496 9.511 33.929 1.00 42.37 ? 31 THR D CB 1 ATOM 3181 O OG1 . THR F 1 23 ? 34.100 9.284 33.685 1.00 40.54 ? 31 THR D OG1 1 ATOM 3182 C CG2 . THR F 1 23 ? 35.856 10.951 33.576 1.00 43.42 ? 31 THR D CG2 1 ATOM 3183 N N . ASP F 1 24 ? 35.574 6.267 32.628 1.00 43.92 ? 32 ASP D N 1 ATOM 3184 C CA . ASP F 1 24 ? 35.025 4.961 32.995 1.00 45.24 ? 32 ASP D CA 1 ATOM 3185 C C . ASP F 1 24 ? 36.031 4.049 33.690 1.00 48.35 ? 32 ASP D C 1 ATOM 3186 O O . ASP F 1 24 ? 35.650 3.055 34.301 1.00 48.94 ? 32 ASP D O 1 ATOM 3187 C CB . ASP F 1 24 ? 34.456 4.252 31.764 1.00 44.89 ? 32 ASP D CB 1 ATOM 3188 C CG . ASP F 1 24 ? 33.027 4.670 31.463 1.00 43.20 ? 32 ASP D CG 1 ATOM 3189 O OD1 . ASP F 1 24 ? 32.422 5.363 32.308 1.00 39.73 ? 32 ASP D OD1 1 ATOM 3190 O OD2 . ASP F 1 24 ? 32.506 4.297 30.391 1.00 43.04 ? 32 ASP D OD2 1 ATOM 3191 N N . ALA F 1 25 ? 37.312 4.387 33.605 1.00 49.53 ? 33 ALA D N 1 ATOM 3192 C CA . ALA F 1 25 ? 38.321 3.640 34.337 1.00 50.91 ? 33 ALA D CA 1 ATOM 3193 C C . ALA F 1 25 ? 38.132 3.821 35.843 1.00 50.02 ? 33 ALA D C 1 ATOM 3194 O O . ALA F 1 25 ? 38.393 2.901 36.618 1.00 46.98 ? 33 ALA D O 1 ATOM 3195 C CB . ALA F 1 25 ? 39.725 4.072 33.914 1.00 53.42 ? 33 ALA D CB 1 ATOM 3196 N N . LEU F 1 26 ? 37.661 4.999 36.253 1.00 43.72 ? 34 LEU D N 1 ATOM 3197 C CA . LEU F 1 26 ? 37.508 5.307 37.676 1.00 42.11 ? 34 LEU D CA 1 ATOM 3198 C C . LEU F 1 26 ? 36.056 5.332 38.146 1.00 39.36 ? 34 LEU D C 1 ATOM 3199 O O . LEU F 1 26 ? 35.770 4.991 39.291 1.00 37.99 ? 34 LEU D O 1 ATOM 3200 C CB . LEU F 1 26 ? 38.159 6.655 38.007 1.00 48.23 ? 34 LEU D CB 1 ATOM 3201 C CG . LEU F 1 26 ? 39.688 6.734 37.929 1.00 53.93 ? 34 LEU D CG 1 ATOM 3202 C CD1 . LEU F 1 26 ? 40.163 8.138 38.269 1.00 53.85 ? 34 LEU D CD1 1 ATOM 3203 C CD2 . LEU F 1 26 ? 40.343 5.712 38.846 1.00 54.94 ? 34 LEU D CD2 1 ATOM 3204 N N . ILE F 1 27 ? 35.147 5.751 37.273 1.00 38.67 ? 35 ILE D N 1 ATOM 3205 C CA . ILE F 1 27 ? 33.738 5.863 37.654 1.00 36.25 ? 35 ILE D CA 1 ATOM 3206 C C . ILE F 1 27 ? 32.845 5.620 36.441 1.00 36.08 ? 35 ILE D C 1 ATOM 3207 O O . ILE F 1 27 ? 32.941 6.314 35.430 1.00 37.12 ? 35 ILE D O 1 ATOM 3208 C CB . ILE F 1 27 ? 33.422 7.247 38.286 1.00 35.23 ? 35 ILE D CB 1 ATOM 3209 C CG1 . ILE F 1 27 ? 31.959 7.306 38.752 1.00 32.88 ? 35 ILE D CG1 1 ATOM 3210 C CG2 . ILE F 1 27 ? 33.759 8.380 37.320 1.00 36.56 ? 35 ILE D CG2 1 ATOM 3211 C CD1 . ILE F 1 27 ? 31.604 8.599 39.487 1.00 32.66 ? 35 ILE D CD1 1 ATOM 3212 N N . CYS F 1 28 ? 31.972 4.626 36.543 1.00 34.88 ? 36 CYS D N 1 ATOM 3213 C CA . CYS F 1 28 ? 31.224 4.184 35.379 1.00 35.01 ? 36 CYS D CA 1 ATOM 3214 C C . CYS F 1 28 ? 29.942 3.483 35.781 1.00 38.02 ? 36 CYS D C 1 ATOM 3215 O O . CYS F 1 28 ? 29.798 3.045 36.921 1.00 31.90 ? 36 CYS D O 1 ATOM 3216 C CB . CYS F 1 28 ? 32.074 3.235 34.539 1.00 41.39 ? 36 CYS D CB 1 ATOM 3217 S SG . CYS F 1 28 ? 32.436 1.694 35.409 1.00 44.68 ? 36 CYS D SG 1 ATOM 3218 N N . TRP F 1 29 ? 29.020 3.377 34.831 1.00 32.85 ? 37 TRP D N 1 ATOM 3219 C CA . TRP F 1 29 ? 27.787 2.636 35.042 1.00 34.17 ? 37 TRP D CA 1 ATOM 3220 C C . TRP F 1 29 ? 28.067 1.146 35.174 1.00 31.78 ? 37 TRP D C 1 ATOM 3221 O O . TRP F 1 29 ? 28.966 0.612 34.529 1.00 33.66 ? 37 TRP D O 1 ATOM 3222 C CB . TRP F 1 29 ? 26.803 2.860 33.886 1.00 31.37 ? 37 TRP D CB 1 ATOM 3223 C CG . TRP F 1 29 ? 26.269 4.259 33.790 1.00 30.65 ? 37 TRP D CG 1 ATOM 3224 C CD1 . TRP F 1 29 ? 26.543 5.180 32.815 1.00 31.89 ? 37 TRP D CD1 1 ATOM 3225 C CD2 . TRP F 1 29 ? 25.361 4.893 34.699 1.00 28.79 ? 37 TRP D CD2 1 ATOM 3226 N NE1 . TRP F 1 29 ? 25.864 6.351 33.070 1.00 30.91 ? 37 TRP D NE1 1 ATOM 3227 C CE2 . TRP F 1 29 ? 25.136 6.202 34.221 1.00 29.03 ? 37 TRP D CE2 1 ATOM 3228 C CE3 . TRP F 1 29 ? 24.723 4.485 35.876 1.00 27.08 ? 37 TRP D CE3 1 ATOM 3229 C CZ2 . TRP F 1 29 ? 24.293 7.099 34.873 1.00 27.68 ? 37 TRP D CZ2 1 ATOM 3230 C CZ3 . TRP F 1 29 ? 23.890 5.378 36.523 1.00 25.74 ? 37 TRP D CZ3 1 ATOM 3231 C CH2 . TRP F 1 29 ? 23.688 6.673 36.021 1.00 26.07 ? 37 TRP D CH2 1 ATOM 3232 N N . SER F 1 30 ? 27.288 0.474 36.010 1.00 30.24 ? 38 SER D N 1 ATOM 3233 C CA . SER F 1 30 ? 27.242 -0.979 35.976 1.00 30.63 ? 38 SER D CA 1 ATOM 3234 C C . SER F 1 30 ? 26.668 -1.390 34.622 1.00 31.43 ? 38 SER D C 1 ATOM 3235 O O . SER F 1 30 ? 26.006 -0.589 33.972 1.00 33.48 ? 38 SER D O 1 ATOM 3236 C CB . SER F 1 30 ? 26.382 -1.514 37.120 1.00 28.77 ? 38 SER D CB 1 ATOM 3237 O OG . SER F 1 30 ? 25.055 -1.026 37.001 1.00 40.52 ? 38 SER D OG 1 ATOM 3238 N N . PRO F 1 31 ? 26.918 -2.633 34.185 1.00 32.63 ? 39 PRO D N 1 ATOM 3239 C CA . PRO F 1 31 ? 26.335 -3.076 32.913 1.00 33.49 ? 39 PRO D CA 1 ATOM 3240 C C . PRO F 1 31 ? 24.817 -2.840 32.836 1.00 31.78 ? 39 PRO D C 1 ATOM 3241 O O . PRO F 1 31 ? 24.300 -2.465 31.780 1.00 32.25 ? 39 PRO D O 1 ATOM 3242 C CB . PRO F 1 31 ? 26.667 -4.571 32.890 1.00 36.34 ? 39 PRO D CB 1 ATOM 3243 C CG . PRO F 1 31 ? 27.978 -4.644 33.630 1.00 35.51 ? 39 PRO D CG 1 ATOM 3244 C CD . PRO F 1 31 ? 27.856 -3.624 34.742 1.00 33.62 ? 39 PRO D CD 1 ATOM 3245 N N . SER F 1 32 ? 24.125 -3.030 33.955 1.00 29.94 ? 40 SER D N 1 ATOM 3246 C CA . SER F 1 32 ? 22.670 -2.872 33.998 1.00 34.98 ? 40 SER D CA 1 ATOM 3247 C C . SER F 1 32 ? 22.227 -1.428 33.815 1.00 32.58 ? 40 SER D C 1 ATOM 3248 O O . SER F 1 32 ? 21.093 -1.163 33.422 1.00 27.03 ? 40 SER D O 1 ATOM 3249 C CB . SER F 1 32 ? 22.115 -3.390 35.323 1.00 26.76 ? 40 SER D CB 1 ATOM 3250 O OG . SER F 1 32 ? 22.494 -2.536 36.390 1.00 27.30 ? 40 SER D OG 1 ATOM 3251 N N . GLY F 1 33 ? 23.114 -0.493 34.133 1.00 27.93 ? 41 GLY D N 1 ATOM 3252 C CA . GLY F 1 33 ? 22.773 0.917 34.080 1.00 27.35 ? 41 GLY D CA 1 ATOM 3253 C C . GLY F 1 33 ? 22.017 1.412 35.302 1.00 25.43 ? 41 GLY D C 1 ATOM 3254 O O . GLY F 1 33 ? 21.637 2.578 35.354 1.00 24.93 ? 41 GLY D O 1 ATOM 3255 N N . ASN F 1 34 ? 21.807 0.541 36.290 1.00 24.50 ? 42 ASN D N 1 ATOM 3256 C CA . ASN F 1 34 ? 21.037 0.903 37.477 1.00 23.74 ? 42 ASN D CA 1 ATOM 3257 C C . ASN F 1 34 ? 21.881 1.248 38.695 1.00 22.45 ? 42 ASN D C 1 ATOM 3258 O O . ASN F 1 34 ? 21.343 1.630 39.728 1.00 21.20 ? 42 ASN D O 1 ATOM 3259 C CB . ASN F 1 34 ? 20.081 -0.229 37.857 1.00 24.50 ? 42 ASN D CB 1 ATOM 3260 C CG . ASN F 1 34 ? 19.069 -0.519 36.774 1.00 26.19 ? 42 ASN D CG 1 ATOM 3261 O OD1 . ASN F 1 34 ? 18.577 0.397 36.117 1.00 24.08 ? 42 ASN D OD1 1 ATOM 3262 N ND2 . ASN F 1 34 ? 18.766 -1.801 36.567 1.00 23.88 ? 42 ASN D ND2 1 ATOM 3263 N N . SER F 1 35 ? 23.194 1.082 38.583 1.00 23.69 ? 43 SER D N 1 ATOM 3264 C CA . SER F 1 35 ? 24.106 1.443 39.666 1.00 23.65 ? 43 SER D CA 1 ATOM 3265 C C . SER F 1 35 ? 25.394 1.966 39.059 1.00 25.29 ? 43 SER D C 1 ATOM 3266 O O . SER F 1 35 ? 25.599 1.867 37.851 1.00 26.48 ? 43 SER D O 1 ATOM 3267 C CB . SER F 1 35 ? 24.403 0.246 40.567 1.00 23.48 ? 43 SER D CB 1 ATOM 3268 O OG . SER F 1 35 ? 24.991 -0.811 39.824 1.00 31.10 ? 43 SER D OG 1 ATOM 3269 N N . PHE F 1 36 ? 26.270 2.514 39.890 1.00 25.49 ? 44 PHE D N 1 ATOM 3270 C CA . PHE F 1 36 ? 27.594 2.864 39.393 1.00 29.92 ? 44 PHE D CA 1 ATOM 3271 C C . PHE F 1 36 ? 28.699 2.462 40.358 1.00 27.86 ? 44 PHE D C 1 ATOM 3272 O O . PHE F 1 36 ? 28.473 2.235 41.538 1.00 26.80 ? 44 PHE D O 1 ATOM 3273 C CB . PHE F 1 36 ? 27.678 4.361 39.076 1.00 27.47 ? 44 PHE D CB 1 ATOM 3274 C CG . PHE F 1 36 ? 27.630 5.261 40.293 1.00 26.49 ? 44 PHE D CG 1 ATOM 3275 C CD1 . PHE F 1 36 ? 26.422 5.631 40.859 1.00 26.85 ? 44 PHE D CD1 1 ATOM 3276 C CD2 . PHE F 1 36 ? 28.795 5.749 40.850 1.00 27.40 ? 44 PHE D CD2 1 ATOM 3277 C CE1 . PHE F 1 36 ? 26.383 6.467 41.968 1.00 25.94 ? 44 PHE D CE1 1 ATOM 3278 C CE2 . PHE F 1 36 ? 28.764 6.588 41.959 1.00 30.36 ? 44 PHE D CE2 1 ATOM 3279 C CZ . PHE F 1 36 ? 27.552 6.942 42.519 1.00 29.15 ? 44 PHE D CZ 1 ATOM 3280 N N . HIS F 1 37 ? 29.905 2.351 39.821 1.00 29.75 ? 45 HIS D N 1 ATOM 3281 C CA . HIS F 1 37 ? 31.063 1.975 40.610 1.00 30.71 ? 45 HIS D CA 1 ATOM 3282 C C . HIS F 1 37 ? 32.051 3.123 40.693 1.00 38.16 ? 45 HIS D C 1 ATOM 3283 O O . HIS F 1 37 ? 32.213 3.874 39.734 1.00 32.60 ? 45 HIS D O 1 ATOM 3284 C CB . HIS F 1 37 ? 31.777 0.767 40.000 1.00 32.41 ? 45 HIS D CB 1 ATOM 3285 C CG . HIS F 1 37 ? 30.967 -0.492 40.003 1.00 32.99 ? 45 HIS D CG 1 ATOM 3286 N ND1 . HIS F 1 37 ? 31.096 -1.453 40.981 1.00 35.21 ? 45 HIS D ND1 1 ATOM 3287 C CD2 . HIS F 1 37 ? 30.052 -0.966 39.125 1.00 33.94 ? 45 HIS D CD2 1 ATOM 3288 C CE1 . HIS F 1 37 ? 30.278 -2.457 40.717 1.00 36.83 ? 45 HIS D CE1 1 ATOM 3289 N NE2 . HIS F 1 37 ? 29.630 -2.185 39.598 1.00 35.66 ? 45 HIS D NE2 1 ATOM 3290 N N . VAL F 1 38 ? 32.703 3.240 41.843 1.00 31.83 ? 46 VAL D N 1 ATOM 3291 C CA . VAL F 1 38 ? 33.914 4.031 41.961 1.00 33.35 ? 46 VAL D CA 1 ATOM 3292 C C . VAL F 1 38 ? 35.064 3.066 42.206 1.00 35.04 ? 46 VAL D C 1 ATOM 3293 O O . VAL F 1 38 ? 35.135 2.436 43.262 1.00 34.57 ? 46 VAL D O 1 ATOM 3294 C CB . VAL F 1 38 ? 33.837 5.044 43.103 1.00 35.30 ? 46 VAL D CB 1 ATOM 3295 C CG1 . VAL F 1 38 ? 35.138 5.835 43.180 1.00 34.19 ? 46 VAL D CG1 1 ATOM 3296 C CG2 . VAL F 1 38 ? 32.640 5.961 42.915 1.00 30.83 ? 46 VAL D CG2 1 ATOM 3297 N N . PHE F 1 39 ? 35.926 2.913 41.206 1.00 37.10 ? 47 PHE D N 1 ATOM 3298 C CA . PHE F 1 39 ? 37.114 2.081 41.334 1.00 45.30 ? 47 PHE D CA 1 ATOM 3299 C C . PHE F 1 39 ? 38.274 2.984 41.745 1.00 50.35 ? 47 PHE D C 1 ATOM 3300 O O . PHE F 1 39 ? 38.516 4.004 41.101 1.00 51.86 ? 47 PHE D O 1 ATOM 3301 C CB . PHE F 1 39 ? 37.443 1.364 40.023 1.00 40.88 ? 47 PHE D CB 1 ATOM 3302 C CG . PHE F 1 39 ? 36.307 0.575 39.448 1.00 43.22 ? 47 PHE D CG 1 ATOM 3303 C CD1 . PHE F 1 39 ? 35.879 -0.596 40.053 1.00 38.96 ? 47 PHE D CD1 1 ATOM 3304 C CD2 . PHE F 1 39 ? 35.684 0.991 38.284 1.00 42.92 ? 47 PHE D CD2 1 ATOM 3305 C CE1 . PHE F 1 39 ? 34.840 -1.325 39.518 1.00 38.02 ? 47 PHE D CE1 1 ATOM 3306 C CE2 . PHE F 1 39 ? 34.644 0.267 37.744 1.00 38.66 ? 47 PHE D CE2 1 ATOM 3307 C CZ . PHE F 1 39 ? 34.222 -0.897 38.361 1.00 38.69 ? 47 PHE D CZ 1 ATOM 3308 N N . ASP F 1 40 ? 38.979 2.621 42.810 1.00 54.67 ? 48 ASP D N 1 ATOM 3309 C CA . ASP F 1 40 ? 40.099 3.431 43.273 1.00 58.58 ? 48 ASP D CA 1 ATOM 3310 C C . ASP F 1 40 ? 39.580 4.768 43.808 1.00 56.36 ? 48 ASP D C 1 ATOM 3311 O O . ASP F 1 40 ? 39.536 5.763 43.082 1.00 53.75 ? 48 ASP D O 1 ATOM 3312 C CB . ASP F 1 40 ? 41.107 3.651 42.135 1.00 62.95 ? 48 ASP D CB 1 ATOM 3313 C CG . ASP F 1 40 ? 42.447 4.171 42.624 1.00 66.42 ? 48 ASP D CG 1 ATOM 3314 O OD1 . ASP F 1 40 ? 42.489 4.809 43.698 1.00 67.75 ? 48 ASP D OD1 1 ATOM 3315 O OD2 . ASP F 1 40 ? 43.461 3.943 41.926 1.00 67.84 ? 48 ASP D OD2 1 ATOM 3316 N N . GLN F 1 41 ? 39.173 4.778 45.074 1.00 54.46 ? 49 GLN D N 1 ATOM 3317 C CA . GLN F 1 41 ? 38.685 6.002 45.707 1.00 56.63 ? 49 GLN D CA 1 ATOM 3318 C C . GLN F 1 41 ? 39.796 7.039 45.846 1.00 55.89 ? 49 GLN D C 1 ATOM 3319 O O . GLN F 1 41 ? 39.544 8.245 45.790 1.00 55.95 ? 49 GLN D O 1 ATOM 3320 C CB . GLN F 1 41 ? 38.088 5.702 47.083 1.00 60.70 ? 49 GLN D CB 1 ATOM 3321 C CG . GLN F 1 41 ? 36.820 4.868 47.058 1.00 63.34 ? 49 GLN D CG 1 ATOM 3322 C CD . GLN F 1 41 ? 36.090 4.900 48.387 1.00 66.69 ? 49 GLN D CD 1 ATOM 3323 O OE1 . GLN F 1 41 ? 36.383 5.733 49.245 1.00 71.16 ? 49 GLN D OE1 1 ATOM 3324 N NE2 . GLN F 1 41 ? 35.137 3.994 48.564 1.00 64.56 ? 49 GLN D NE2 1 ATOM 3325 N N . GLY F 1 42 ? 41.026 6.566 46.028 1.00 54.24 ? 50 GLY D N 1 ATOM 3326 C CA . GLY F 1 42 ? 42.164 7.449 46.217 1.00 53.96 ? 50 GLY D CA 1 ATOM 3327 C C . GLY F 1 42 ? 42.481 8.257 44.976 1.00 53.73 ? 50 GLY D C 1 ATOM 3328 O O . GLY F 1 42 ? 42.836 9.435 45.061 1.00 49.56 ? 50 GLY D O 1 ATOM 3329 N N . GLN F 1 43 ? 42.355 7.618 43.817 1.00 56.51 ? 51 GLN D N 1 ATOM 3330 C CA . GLN F 1 43 ? 42.580 8.279 42.537 1.00 60.14 ? 51 GLN D CA 1 ATOM 3331 C C . GLN F 1 43 ? 41.423 9.222 42.236 1.00 56.83 ? 51 GLN D C 1 ATOM 3332 O O . GLN F 1 43 ? 41.615 10.325 41.717 1.00 57.61 ? 51 GLN D O 1 ATOM 3333 C CB . GLN F 1 43 ? 42.731 7.247 41.417 1.00 65.46 ? 51 GLN D CB 1 ATOM 3334 C CG . GLN F 1 43 ? 43.327 7.793 40.134 1.00 71.13 ? 51 GLN D CG 1 ATOM 3335 C CD . GLN F 1 43 ? 44.801 8.118 40.274 1.00 76.37 ? 51 GLN D CD 1 ATOM 3336 O OE1 . GLN F 1 43 ? 45.184 9.283 40.361 1.00 77.83 ? 51 GLN D OE1 1 ATOM 3337 N NE2 . GLN F 1 43 ? 45.636 7.085 40.296 1.00 79.07 ? 51 GLN D NE2 1 ATOM 3338 N N . PHE F 1 44 ? 40.218 8.762 42.562 1.00 52.27 ? 52 PHE D N 1 ATOM 3339 C CA . PHE F 1 44 ? 39.011 9.563 42.447 1.00 48.83 ? 52 PHE D CA 1 ATOM 3340 C C . PHE F 1 44 ? 39.170 10.833 43.286 1.00 51.94 ? 52 PHE D C 1 ATOM 3341 O O . PHE F 1 44 ? 38.987 11.949 42.793 1.00 54.41 ? 52 PHE D O 1 ATOM 3342 C CB . PHE F 1 44 ? 37.792 8.734 42.895 1.00 42.96 ? 52 PHE D CB 1 ATOM 3343 C CG . PHE F 1 44 ? 36.466 9.388 42.622 1.00 41.59 ? 52 PHE D CG 1 ATOM 3344 C CD1 . PHE F 1 44 ? 35.937 9.408 41.340 1.00 41.57 ? 52 PHE D CD1 1 ATOM 3345 C CD2 . PHE F 1 44 ? 35.738 9.968 43.651 1.00 42.27 ? 52 PHE D CD2 1 ATOM 3346 C CE1 . PHE F 1 44 ? 34.709 10.008 41.087 1.00 39.87 ? 52 PHE D CE1 1 ATOM 3347 C CE2 . PHE F 1 44 ? 34.513 10.569 43.402 1.00 42.09 ? 52 PHE D CE2 1 ATOM 3348 C CZ . PHE F 1 44 ? 34.001 10.589 42.119 1.00 39.60 ? 52 PHE D CZ 1 ATOM 3349 N N . ALA F 1 45 ? 39.548 10.653 44.547 1.00 53.06 ? 53 ALA D N 1 ATOM 3350 C CA . ALA F 1 45 ? 39.689 11.769 45.477 1.00 56.27 ? 53 ALA D CA 1 ATOM 3351 C C . ALA F 1 45 ? 40.764 12.761 45.037 1.00 61.58 ? 53 ALA D C 1 ATOM 3352 O O . ALA F 1 45 ? 40.649 13.957 45.298 1.00 63.60 ? 53 ALA D O 1 ATOM 3353 C CB . ALA F 1 45 ? 39.993 11.251 46.878 1.00 54.92 ? 53 ALA D CB 1 ATOM 3354 N N . LYS F 1 46 ? 41.807 12.267 44.373 1.00 65.26 ? 54 LYS D N 1 ATOM 3355 C CA . LYS F 1 46 ? 42.914 13.128 43.957 1.00 71.57 ? 54 LYS D CA 1 ATOM 3356 C C . LYS F 1 46 ? 42.680 13.774 42.594 1.00 71.97 ? 54 LYS D C 1 ATOM 3357 O O . LYS F 1 46 ? 43.048 14.929 42.379 1.00 74.89 ? 54 LYS D O 1 ATOM 3358 C CB . LYS F 1 46 ? 44.228 12.343 43.936 1.00 76.50 ? 54 LYS D CB 1 ATOM 3359 C CG . LYS F 1 46 ? 44.794 12.038 45.315 1.00 81.21 ? 54 LYS D CG 1 ATOM 3360 C CD . LYS F 1 46 ? 46.285 11.723 45.248 1.00 86.06 ? 54 LYS D CD 1 ATOM 3361 C CE . LYS F 1 46 ? 47.107 12.949 44.859 1.00 89.96 ? 54 LYS D CE 1 ATOM 3362 N NZ . LYS F 1 46 ? 47.060 14.019 45.897 1.00 91.68 ? 54 LYS D NZ 1 ATOM 3363 N N . GLU F 1 47 ? 42.077 13.030 41.674 1.00 69.68 ? 55 GLU D N 1 ATOM 3364 C CA . GLU F 1 47 ? 41.808 13.549 40.337 1.00 71.43 ? 55 GLU D CA 1 ATOM 3365 C C . GLU F 1 47 ? 40.435 14.209 40.235 1.00 67.07 ? 55 GLU D C 1 ATOM 3366 O O . GLU F 1 47 ? 40.322 15.368 39.844 1.00 67.33 ? 55 GLU D O 1 ATOM 3367 C CB . GLU F 1 47 ? 41.912 12.435 39.291 1.00 76.79 ? 55 GLU D CB 1 ATOM 3368 C CG . GLU F 1 47 ? 43.315 11.879 39.088 1.00 86.15 ? 55 GLU D CG 1 ATOM 3369 C CD . GLU F 1 47 ? 43.425 11.032 37.831 1.00 91.03 ? 55 GLU D CD 1 ATOM 3370 O OE1 . GLU F 1 47 ? 42.646 11.270 36.883 1.00 91.45 ? 55 GLU D OE1 1 ATOM 3371 O OE2 . GLU F 1 47 ? 44.285 10.126 37.790 1.00 93.74 ? 55 GLU D OE2 1 ATOM 3372 N N . VAL F 1 48 ? 39.394 13.468 40.597 1.00 61.66 ? 56 VAL D N 1 ATOM 3373 C CA . VAL F 1 48 ? 38.026 13.893 40.329 1.00 58.13 ? 56 VAL D CA 1 ATOM 3374 C C . VAL F 1 48 ? 37.522 14.978 41.282 1.00 56.50 ? 56 VAL D C 1 ATOM 3375 O O . VAL F 1 48 ? 37.066 16.034 40.838 1.00 55.48 ? 56 VAL D O 1 ATOM 3376 C CB . VAL F 1 48 ? 37.067 12.688 40.383 1.00 58.70 ? 56 VAL D CB 1 ATOM 3377 C CG1 . VAL F 1 48 ? 35.648 13.119 40.049 1.00 57.09 ? 56 VAL D CG1 1 ATOM 3378 C CG2 . VAL F 1 48 ? 37.538 11.602 39.425 1.00 59.76 ? 56 VAL D CG2 1 ATOM 3379 N N . LEU F 1 49 ? 37.612 14.723 42.584 1.00 57.71 ? 57 LEU D N 1 ATOM 3380 C CA . LEU F 1 49 ? 37.063 15.637 43.590 1.00 58.05 ? 57 LEU D CA 1 ATOM 3381 C C . LEU F 1 49 ? 37.597 17.067 43.482 1.00 60.88 ? 57 LEU D C 1 ATOM 3382 O O . LEU F 1 49 ? 36.824 18.022 43.552 1.00 56.67 ? 57 LEU D O 1 ATOM 3383 C CB . LEU F 1 49 ? 37.326 15.097 44.999 1.00 57.62 ? 57 LEU D CB 1 ATOM 3384 C CG . LEU F 1 49 ? 36.588 13.802 45.356 1.00 54.02 ? 57 LEU D CG 1 ATOM 3385 C CD1 . LEU F 1 49 ? 36.738 13.477 46.834 1.00 53.99 ? 57 LEU D CD1 1 ATOM 3386 C CD2 . LEU F 1 49 ? 35.115 13.882 44.964 1.00 51.66 ? 57 LEU D CD2 1 ATOM 3387 N N . PRO F 1 50 ? 38.921 17.221 43.326 1.00 67.43 ? 58 PRO D N 1 ATOM 3388 C CA . PRO F 1 50 ? 39.494 18.558 43.144 1.00 72.94 ? 58 PRO D CA 1 ATOM 3389 C C . PRO F 1 50 ? 39.007 19.240 41.866 1.00 76.51 ? 58 PRO D C 1 ATOM 3390 O O . PRO F 1 50 ? 39.064 20.466 41.769 1.00 80.81 ? 58 PRO D O 1 ATOM 3391 C CB . PRO F 1 50 ? 40.998 18.286 43.075 1.00 74.04 ? 58 PRO D CB 1 ATOM 3392 C CG . PRO F 1 50 ? 41.183 17.002 43.799 1.00 72.19 ? 58 PRO D CG 1 ATOM 3393 C CD . PRO F 1 50 ? 39.965 16.194 43.473 1.00 68.86 ? 58 PRO D CD 1 ATOM 3394 N N . LYS F 1 51 ? 38.531 18.453 40.905 1.00 75.32 ? 59 LYS D N 1 ATOM 3395 C CA . LYS F 1 51 ? 38.096 18.991 39.619 1.00 76.35 ? 59 LYS D CA 1 ATOM 3396 C C . LYS F 1 51 ? 36.588 19.236 39.542 1.00 72.94 ? 59 LYS D C 1 ATOM 3397 O O . LYS F 1 51 ? 36.148 20.205 38.927 1.00 74.15 ? 59 LYS D O 1 ATOM 3398 C CB . LYS F 1 51 ? 38.515 18.053 38.481 1.00 79.29 ? 59 LYS D CB 1 ATOM 3399 C CG . LYS F 1 51 ? 40.022 17.938 38.286 1.00 86.97 ? 59 LYS D CG 1 ATOM 3400 C CD . LYS F 1 51 ? 40.378 17.216 36.989 1.00 90.31 ? 59 LYS D CD 1 ATOM 3401 C CE . LYS F 1 51 ? 39.822 15.796 36.955 1.00 90.22 ? 59 LYS D CE 1 ATOM 3402 N NZ . LYS F 1 51 ? 40.368 15.006 35.811 1.00 91.56 ? 59 LYS D NZ 1 ATOM 3403 N N . TYR F 1 52 ? 35.797 18.364 40.161 1.00 67.30 ? 60 TYR D N 1 ATOM 3404 C CA . TYR F 1 52 ? 34.347 18.415 39.988 1.00 65.32 ? 60 TYR D CA 1 ATOM 3405 C C . TYR F 1 52 ? 33.571 18.687 41.274 1.00 60.38 ? 60 TYR D C 1 ATOM 3406 O O . TYR F 1 52 ? 32.429 19.146 41.229 1.00 59.08 ? 60 TYR D O 1 ATOM 3407 C CB . TYR F 1 52 ? 33.852 17.107 39.372 1.00 67.57 ? 60 TYR D CB 1 ATOM 3408 C CG . TYR F 1 52 ? 34.353 16.866 37.967 1.00 74.15 ? 60 TYR D CG 1 ATOM 3409 C CD1 . TYR F 1 52 ? 34.750 15.599 37.559 1.00 75.96 ? 60 TYR D CD1 1 ATOM 3410 C CD2 . TYR F 1 52 ? 34.423 17.903 37.047 1.00 78.40 ? 60 TYR D CD2 1 ATOM 3411 C CE1 . TYR F 1 52 ? 35.208 15.373 36.277 1.00 78.22 ? 60 TYR D CE1 1 ATOM 3412 C CE2 . TYR F 1 52 ? 34.879 17.685 35.761 1.00 80.47 ? 60 TYR D CE2 1 ATOM 3413 C CZ . TYR F 1 52 ? 35.270 16.418 35.382 1.00 80.66 ? 60 TYR D CZ 1 ATOM 3414 O OH . TYR F 1 52 ? 35.724 16.193 34.104 1.00 83.44 ? 60 TYR D OH 1 ATOM 3415 N N . PHE F 1 53 ? 34.179 18.393 42.417 1.00 57.73 ? 61 PHE D N 1 ATOM 3416 C CA . PHE F 1 53 ? 33.506 18.585 43.699 1.00 56.47 ? 61 PHE D CA 1 ATOM 3417 C C . PHE F 1 53 ? 34.440 19.248 44.714 1.00 60.91 ? 61 PHE D C 1 ATOM 3418 O O . PHE F 1 53 ? 34.880 18.611 45.671 1.00 59.88 ? 61 PHE D O 1 ATOM 3419 C CB . PHE F 1 53 ? 32.993 17.243 44.238 1.00 49.51 ? 61 PHE D CB 1 ATOM 3420 C CG . PHE F 1 53 ? 32.131 16.478 43.264 1.00 45.58 ? 61 PHE D CG 1 ATOM 3421 C CD1 . PHE F 1 53 ? 30.779 16.763 43.136 1.00 42.88 ? 61 PHE D CD1 1 ATOM 3422 C CD2 . PHE F 1 53 ? 32.670 15.467 42.486 1.00 44.31 ? 61 PHE D CD2 1 ATOM 3423 C CE1 . PHE F 1 53 ? 29.981 16.057 42.245 1.00 39.81 ? 61 PHE D CE1 1 ATOM 3424 C CE2 . PHE F 1 53 ? 31.879 14.759 41.593 1.00 39.67 ? 61 PHE D CE2 1 ATOM 3425 C CZ . PHE F 1 53 ? 30.533 15.058 41.473 1.00 38.54 ? 61 PHE D CZ 1 ATOM 3426 N N . LYS F 1 54 ? 34.718 20.533 44.500 1.00 66.12 ? 62 LYS D N 1 ATOM 3427 C CA . LYS F 1 54 ? 35.748 21.269 45.238 1.00 70.34 ? 62 LYS D CA 1 ATOM 3428 C C . LYS F 1 54 ? 35.635 21.206 46.764 1.00 66.62 ? 62 LYS D C 1 ATOM 3429 O O . LYS F 1 54 ? 36.650 21.203 47.465 1.00 66.09 ? 62 LYS D O 1 ATOM 3430 C CB . LYS F 1 54 ? 35.733 22.737 44.805 1.00 77.15 ? 62 LYS D CB 1 ATOM 3431 C CG . LYS F 1 54 ? 34.388 23.422 45.023 1.00 80.85 ? 62 LYS D CG 1 ATOM 3432 C CD . LYS F 1 54 ? 34.433 24.908 44.679 1.00 85.59 ? 62 LYS D CD 1 ATOM 3433 C CE . LYS F 1 54 ? 35.372 25.670 45.602 1.00 89.33 ? 62 LYS D CE 1 ATOM 3434 N NZ . LYS F 1 54 ? 35.299 27.139 45.371 1.00 92.00 ? 62 LYS D NZ 1 ATOM 3435 N N . HIS F 1 55 ? 34.409 21.163 47.276 1.00 62.43 ? 63 HIS D N 1 ATOM 3436 C CA . HIS F 1 55 ? 34.184 21.291 48.714 1.00 62.22 ? 63 HIS D CA 1 ATOM 3437 C C . HIS F 1 55 ? 34.017 19.956 49.441 1.00 57.23 ? 63 HIS D C 1 ATOM 3438 O O . HIS F 1 55 ? 33.416 19.901 50.514 1.00 54.27 ? 63 HIS D O 1 ATOM 3439 C CB . HIS F 1 55 ? 32.955 22.168 48.974 1.00 65.71 ? 63 HIS D CB 1 ATOM 3440 C CG . HIS F 1 55 ? 33.159 23.611 48.633 1.00 72.95 ? 63 HIS D CG 1 ATOM 3441 N ND1 . HIS F 1 55 ? 34.104 24.397 49.258 1.00 78.51 ? 63 HIS D ND1 1 ATOM 3442 C CD2 . HIS F 1 55 ? 32.539 24.412 47.734 1.00 74.80 ? 63 HIS D CD2 1 ATOM 3443 C CE1 . HIS F 1 55 ? 34.060 25.618 48.755 1.00 81.15 ? 63 HIS D CE1 1 ATOM 3444 N NE2 . HIS F 1 55 ? 33.117 25.654 47.831 1.00 79.44 ? 63 HIS D NE2 1 ATOM 3445 N N . ASN F 1 56 ? 34.551 18.883 48.869 1.00 53.48 ? 64 ASN D N 1 ATOM 3446 C CA . ASN F 1 56 ? 34.444 17.573 49.504 1.00 52.39 ? 64 ASN D CA 1 ATOM 3447 C C . ASN F 1 56 ? 35.755 16.802 49.501 1.00 51.45 ? 64 ASN D C 1 ATOM 3448 O O . ASN F 1 56 ? 36.509 16.859 48.532 1.00 54.34 ? 64 ASN D O 1 ATOM 3449 C CB . ASN F 1 56 ? 33.372 16.723 48.814 1.00 48.45 ? 64 ASN D CB 1 ATOM 3450 C CG . ASN F 1 56 ? 31.983 17.325 48.923 1.00 50.89 ? 64 ASN D CG 1 ATOM 3451 O OD1 . ASN F 1 56 ? 31.380 17.705 47.917 1.00 54.54 ? 64 ASN D OD1 1 ATOM 3452 N ND2 . ASN F 1 56 ? 31.463 17.407 50.143 1.00 49.87 ? 64 ASN D ND2 1 ATOM 3453 N N . ASN F 1 57 ? 36.032 16.097 50.594 1.00 49.61 ? 65 ASN D N 1 ATOM 3454 C CA . ASN F 1 57 ? 36.970 14.979 50.529 1.00 50.19 ? 65 ASN D CA 1 ATOM 3455 C C . ASN F 1 57 ? 36.130 13.725 50.310 1.00 45.51 ? 65 ASN D C 1 ATOM 3456 O O . ASN F 1 57 ? 34.905 13.820 50.254 1.00 41.69 ? 65 ASN D O 1 ATOM 3457 C CB . ASN F 1 57 ? 37.841 14.875 51.786 1.00 52.48 ? 65 ASN D CB 1 ATOM 3458 C CG . ASN F 1 57 ? 37.035 14.715 53.070 1.00 51.57 ? 65 ASN D CG 1 ATOM 3459 O OD1 . ASN F 1 57 ? 35.841 14.415 53.050 1.00 47.31 ? 65 ASN D OD1 1 ATOM 3460 N ND2 . ASN F 1 57 ? 37.703 14.909 54.206 1.00 54.81 ? 65 ASN D ND2 1 ATOM 3461 N N . MET F 1 58 ? 36.756 12.562 50.176 1.00 45.48 ? 66 MET D N 1 ATOM 3462 C CA . MET F 1 58 ? 35.979 11.357 49.892 1.00 42.09 ? 66 MET D CA 1 ATOM 3463 C C . MET F 1 58 ? 34.879 11.151 50.938 1.00 40.49 ? 66 MET D C 1 ATOM 3464 O O . MET F 1 58 ? 33.737 10.856 50.595 1.00 38.10 ? 66 MET D O 1 ATOM 3465 C CB . MET F 1 58 ? 36.886 10.126 49.820 1.00 43.76 ? 66 MET D CB 1 ATOM 3466 C CG . MET F 1 58 ? 36.225 8.915 49.185 1.00 40.18 ? 66 MET D CG 1 ATOM 3467 S SD . MET F 1 58 ? 35.598 9.223 47.512 1.00 48.02 ? 66 MET D SD 1 ATOM 3468 C CE . MET F 1 58 ? 37.108 9.586 46.627 1.00 71.19 ? 66 MET D CE 1 ATOM 3469 N N . ALA F 1 59 ? 35.219 11.358 52.207 1.00 43.91 ? 67 ALA D N 1 ATOM 3470 C CA . ALA F 1 59 ? 34.265 11.183 53.301 1.00 43.73 ? 67 ALA D CA 1 ATOM 3471 C C . ALA F 1 59 ? 33.004 12.031 53.130 1.00 41.69 ? 67 ALA D C 1 ATOM 3472 O O . ALA F 1 59 ? 31.882 11.540 53.305 1.00 39.43 ? 67 ALA D O 1 ATOM 3473 C CB . ALA F 1 59 ? 34.931 11.505 54.631 1.00 46.01 ? 67 ALA D CB 1 ATOM 3474 N N . SER F 1 60 ? 33.179 13.305 52.796 1.00 40.96 ? 68 SER D N 1 ATOM 3475 C CA . SER F 1 60 ? 32.027 14.183 52.677 1.00 41.23 ? 68 SER D CA 1 ATOM 3476 C C . SER F 1 60 ? 31.319 13.986 51.329 1.00 39.80 ? 68 SER D C 1 ATOM 3477 O O . SER F 1 60 ? 30.125 14.266 51.213 1.00 34.55 ? 68 SER D O 1 ATOM 3478 C CB . SER F 1 60 ? 32.432 15.652 52.889 1.00 44.26 ? 68 SER D CB 1 ATOM 3479 O OG . SER F 1 60 ? 33.277 16.145 51.868 1.00 45.51 ? 68 SER D OG 1 ATOM 3480 N N . PHE F 1 61 ? 32.048 13.498 50.325 1.00 36.26 ? 69 PHE D N 1 ATOM 3481 C CA . PHE F 1 61 ? 31.437 13.129 49.039 1.00 33.93 ? 69 PHE D CA 1 ATOM 3482 C C . PHE F 1 61 ? 30.426 12.027 49.263 1.00 31.59 ? 69 PHE D C 1 ATOM 3483 O O . PHE F 1 61 ? 29.301 12.065 48.751 1.00 28.84 ? 69 PHE D O 1 ATOM 3484 C CB . PHE F 1 61 ? 32.505 12.683 48.035 1.00 34.67 ? 69 PHE D CB 1 ATOM 3485 C CG . PHE F 1 61 ? 31.952 12.128 46.740 1.00 33.68 ? 69 PHE D CG 1 ATOM 3486 C CD1 . PHE F 1 61 ? 31.531 12.977 45.725 1.00 33.83 ? 69 PHE D CD1 1 ATOM 3487 C CD2 . PHE F 1 61 ? 31.880 10.757 46.529 1.00 33.23 ? 69 PHE D CD2 1 ATOM 3488 C CE1 . PHE F 1 61 ? 31.035 12.470 44.530 1.00 33.46 ? 69 PHE D CE1 1 ATOM 3489 C CE2 . PHE F 1 61 ? 31.386 10.244 45.342 1.00 33.79 ? 69 PHE D CE2 1 ATOM 3490 C CZ . PHE F 1 61 ? 30.962 11.099 44.340 1.00 33.55 ? 69 PHE D CZ 1 ATOM 3491 N N . VAL F 1 62 ? 30.835 11.042 50.049 1.00 31.01 ? 70 VAL D N 1 ATOM 3492 C CA . VAL F 1 62 ? 29.971 9.919 50.359 1.00 30.53 ? 70 VAL D CA 1 ATOM 3493 C C . VAL F 1 62 ? 28.790 10.378 51.210 1.00 27.56 ? 70 VAL D C 1 ATOM 3494 O O . VAL F 1 62 ? 27.662 9.905 51.026 1.00 25.05 ? 70 VAL D O 1 ATOM 3495 C CB . VAL F 1 62 ? 30.760 8.801 51.064 1.00 33.72 ? 70 VAL D CB 1 ATOM 3496 C CG1 . VAL F 1 62 ? 29.821 7.749 51.624 1.00 35.42 ? 70 VAL D CG1 1 ATOM 3497 C CG2 . VAL F 1 62 ? 31.742 8.180 50.090 1.00 35.21 ? 70 VAL D CG2 1 ATOM 3498 N N . ARG F 1 63 ? 29.028 11.323 52.116 1.00 29.68 ? 71 ARG D N 1 ATOM 3499 C CA . ARG F 1 63 ? 27.931 11.860 52.903 1.00 29.09 ? 71 ARG D CA 1 ATOM 3500 C C . ARG F 1 63 ? 26.925 12.603 52.011 1.00 28.38 ? 71 ARG D C 1 ATOM 3501 O O . ARG F 1 63 ? 25.736 12.570 52.293 1.00 26.32 ? 71 ARG D O 1 ATOM 3502 C CB . ARG F 1 63 ? 28.449 12.764 54.025 1.00 38.18 ? 71 ARG D CB 1 ATOM 3503 C CG . ARG F 1 63 ? 29.134 11.967 55.131 1.00 42.37 ? 71 ARG D CG 1 ATOM 3504 C CD . ARG F 1 63 ? 29.326 12.770 56.392 1.00 47.91 ? 71 ARG D CD 1 ATOM 3505 N NE . ARG F 1 63 ? 30.260 13.870 56.193 1.00 58.21 ? 71 ARG D NE 1 ATOM 3506 C CZ . ARG F 1 63 ? 31.574 13.774 56.364 1.00 65.47 ? 71 ARG D CZ 1 ATOM 3507 N NH1 . ARG F 1 63 ? 32.117 12.621 56.737 1.00 68.07 ? 71 ARG D NH1 1 ATOM 3508 N NH2 . ARG F 1 63 ? 32.348 14.831 56.160 1.00 67.40 ? 71 ARG D NH2 1 ATOM 3509 N N . GLN F 1 64 ? 27.388 13.248 50.939 1.00 28.52 ? 72 GLN D N 1 ATOM 3510 C CA . GLN F 1 64 ? 26.468 13.861 49.976 1.00 27.19 ? 72 GLN D CA 1 ATOM 3511 C C . GLN F 1 64 ? 25.635 12.797 49.259 1.00 24.08 ? 72 GLN D C 1 ATOM 3512 O O . GLN F 1 64 ? 24.450 12.995 48.998 1.00 22.32 ? 72 GLN D O 1 ATOM 3513 C CB . GLN F 1 64 ? 27.217 14.700 48.940 1.00 32.81 ? 72 GLN D CB 1 ATOM 3514 C CG . GLN F 1 64 ? 27.855 15.970 49.495 1.00 43.74 ? 72 GLN D CG 1 ATOM 3515 C CD . GLN F 1 64 ? 26.909 17.158 49.497 1.00 52.51 ? 72 GLN D CD 1 ATOM 3516 O OE1 . GLN F 1 64 ? 25.827 17.107 48.913 1.00 53.29 ? 72 GLN D OE1 1 ATOM 3517 N NE2 . GLN F 1 64 ? 27.321 18.241 50.150 1.00 59.47 ? 72 GLN D NE2 1 ATOM 3518 N N . LEU F 1 65 ? 26.256 11.672 48.915 1.00 23.50 ? 73 LEU D N 1 ATOM 3519 C CA . LEU F 1 65 ? 25.482 10.576 48.334 1.00 20.69 ? 73 LEU D CA 1 ATOM 3520 C C . LEU F 1 65 ? 24.406 10.117 49.298 1.00 19.03 ? 73 LEU D C 1 ATOM 3521 O O . LEU F 1 65 ? 23.264 9.876 48.903 1.00 16.79 ? 73 LEU D O 1 ATOM 3522 C CB . LEU F 1 65 ? 26.383 9.398 47.965 1.00 20.62 ? 73 LEU D CB 1 ATOM 3523 C CG . LEU F 1 65 ? 27.388 9.651 46.839 1.00 21.95 ? 73 LEU D CG 1 ATOM 3524 C CD1 . LEU F 1 65 ? 28.295 8.433 46.675 1.00 23.48 ? 73 LEU D CD1 1 ATOM 3525 C CD2 . LEU F 1 65 ? 26.698 9.974 45.514 1.00 20.90 ? 73 LEU D CD2 1 ATOM 3526 N N . ASN F 1 66 ? 24.771 9.992 50.569 1.00 20.24 ? 74 ASN D N 1 ATOM 3527 C CA . ASN F 1 66 ? 23.811 9.567 51.573 1.00 19.61 ? 74 ASN D CA 1 ATOM 3528 C C . ASN F 1 66 ? 22.683 10.585 51.699 1.00 21.43 ? 74 ASN D C 1 ATOM 3529 O O . ASN F 1 66 ? 21.524 10.212 51.862 1.00 19.48 ? 74 ASN D O 1 ATOM 3530 C CB . ASN F 1 66 ? 24.487 9.364 52.931 1.00 21.86 ? 74 ASN D CB 1 ATOM 3531 C CG . ASN F 1 66 ? 23.519 8.865 53.986 1.00 26.28 ? 74 ASN D CG 1 ATOM 3532 O OD1 . ASN F 1 66 ? 23.146 7.690 53.991 1.00 22.72 ? 74 ASN D OD1 1 ATOM 3533 N ND2 . ASN F 1 66 ? 23.103 9.757 54.887 1.00 28.71 ? 74 ASN D ND2 1 ATOM 3534 N N . MET F 1 67 ? 23.031 11.867 51.612 1.00 20.44 ? 75 MET D N 1 ATOM 3535 C CA . MET F 1 67 ? 22.046 12.937 51.764 1.00 20.38 ? 75 MET D CA 1 ATOM 3536 C C . MET F 1 67 ? 20.949 12.845 50.705 1.00 20.68 ? 75 MET D C 1 ATOM 3537 O O . MET F 1 67 ? 19.792 13.220 50.951 1.00 22.16 ? 75 MET D O 1 ATOM 3538 C CB . MET F 1 67 ? 22.728 14.303 51.696 1.00 23.12 ? 75 MET D CB 1 ATOM 3539 C CG . MET F 1 67 ? 21.783 15.473 51.876 1.00 30.95 ? 75 MET D CG 1 ATOM 3540 S SD . MET F 1 67 ? 22.670 17.045 51.836 1.00 31.44 ? 75 MET D SD 1 ATOM 3541 C CE . MET F 1 67 ? 23.120 17.131 50.110 1.00 26.51 ? 75 MET D CE 1 ATOM 3542 N N . TYR F 1 68 ? 21.309 12.345 49.527 1.00 18.21 ? 76 TYR D N 1 ATOM 3543 C CA . TYR F 1 68 ? 20.353 12.244 48.425 1.00 19.99 ? 76 TYR D CA 1 ATOM 3544 C C . TYR F 1 68 ? 19.720 10.851 48.330 1.00 18.17 ? 76 TYR D C 1 ATOM 3545 O O . TYR F 1 68 ? 19.001 10.558 47.386 1.00 18.55 ? 76 TYR D O 1 ATOM 3546 C CB . TYR F 1 68 ? 21.025 12.628 47.105 1.00 21.27 ? 76 TYR D CB 1 ATOM 3547 C CG . TYR F 1 68 ? 21.214 14.132 46.974 1.00 19.99 ? 76 TYR D CG 1 ATOM 3548 C CD1 . TYR F 1 68 ? 20.119 14.988 47.022 1.00 20.90 ? 76 TYR D CD1 1 ATOM 3549 C CD2 . TYR F 1 68 ? 22.477 14.692 46.800 1.00 20.14 ? 76 TYR D CD2 1 ATOM 3550 C CE1 . TYR F 1 68 ? 20.273 16.362 46.918 1.00 23.78 ? 76 TYR D CE1 1 ATOM 3551 C CE2 . TYR F 1 68 ? 22.635 16.072 46.697 1.00 21.09 ? 76 TYR D CE2 1 ATOM 3552 C CZ . TYR F 1 68 ? 21.529 16.894 46.751 1.00 23.85 ? 76 TYR D CZ 1 ATOM 3553 O OH . TYR F 1 68 ? 21.685 18.258 46.638 1.00 26.07 ? 76 TYR D OH 1 ATOM 3554 N N . GLY F 1 69 ? 19.971 10.016 49.328 1.00 18.44 ? 77 GLY D N 1 ATOM 3555 C CA . GLY F 1 69 ? 19.329 8.718 49.408 1.00 19.47 ? 77 GLY D CA 1 ATOM 3556 C C . GLY F 1 69 ? 19.965 7.613 48.590 1.00 19.15 ? 77 GLY D C 1 ATOM 3557 O O . GLY F 1 69 ? 19.343 6.560 48.379 1.00 19.86 ? 77 GLY D O 1 ATOM 3558 N N . PHE F 1 70 ? 21.188 7.831 48.116 1.00 16.82 ? 78 PHE D N 1 ATOM 3559 C CA . PHE F 1 70 ? 21.911 6.740 47.456 1.00 16.69 ? 78 PHE D CA 1 ATOM 3560 C C . PHE F 1 70 ? 22.152 5.638 48.458 1.00 19.94 ? 78 PHE D C 1 ATOM 3561 O O . PHE F 1 70 ? 22.330 5.904 49.642 1.00 22.76 ? 78 PHE D O 1 ATOM 3562 C CB . PHE F 1 70 ? 23.252 7.209 46.892 1.00 16.97 ? 78 PHE D CB 1 ATOM 3563 C CG . PHE F 1 70 ? 23.129 8.013 45.638 1.00 17.58 ? 78 PHE D CG 1 ATOM 3564 C CD1 . PHE F 1 70 ? 22.652 9.310 45.680 1.00 17.94 ? 78 PHE D CD1 1 ATOM 3565 C CD2 . PHE F 1 70 ? 23.481 7.467 44.413 1.00 20.54 ? 78 PHE D CD2 1 ATOM 3566 C CE1 . PHE F 1 70 ? 22.529 10.050 44.522 1.00 18.74 ? 78 PHE D CE1 1 ATOM 3567 C CE2 . PHE F 1 70 ? 23.364 8.202 43.247 1.00 22.11 ? 78 PHE D CE2 1 ATOM 3568 C CZ . PHE F 1 70 ? 22.887 9.501 43.299 1.00 21.02 ? 78 PHE D CZ 1 ATOM 3569 N N . ARG F 1 71 ? 22.169 4.399 47.984 1.00 16.32 ? 79 ARG D N 1 ATOM 3570 C CA . ARG F 1 71 ? 22.522 3.280 48.841 1.00 16.21 ? 79 ARG D CA 1 ATOM 3571 C C . ARG F 1 71 ? 23.778 2.614 48.328 1.00 19.03 ? 79 ARG D C 1 ATOM 3572 O O . ARG F 1 71 ? 24.222 2.895 47.218 1.00 19.03 ? 79 ARG D O 1 ATOM 3573 C CB . ARG F 1 71 ? 21.376 2.284 48.913 1.00 17.95 ? 79 ARG D CB 1 ATOM 3574 C CG . ARG F 1 71 ? 20.121 2.961 49.436 1.00 23.44 ? 79 ARG D CG 1 ATOM 3575 C CD . ARG F 1 71 ? 19.291 2.077 50.319 1.00 26.19 ? 79 ARG D CD 1 ATOM 3576 N NE . ARG F 1 71 ? 18.139 2.815 50.837 1.00 32.06 ? 79 ARG D NE 1 ATOM 3577 C CZ . ARG F 1 71 ? 16.994 2.251 51.214 1.00 38.24 ? 79 ARG D CZ 1 ATOM 3578 N NH1 . ARG F 1 71 ? 16.836 0.935 51.134 1.00 40.30 ? 79 ARG D NH1 1 ATOM 3579 N NH2 . ARG F 1 71 ? 16.004 3.007 51.671 1.00 39.44 ? 79 ARG D NH2 1 ATOM 3580 N N . LYS F 1 72 ? 24.352 1.763 49.167 1.00 18.03 ? 80 LYS D N 1 ATOM 3581 C CA . LYS F 1 72 ? 25.558 1.018 48.833 1.00 19.12 ? 80 LYS D CA 1 ATOM 3582 C C . LYS F 1 72 ? 25.199 -0.430 48.554 1.00 17.62 ? 80 LYS D C 1 ATOM 3583 O O . LYS F 1 72 ? 24.297 -0.983 49.193 1.00 19.79 ? 80 LYS D O 1 ATOM 3584 C CB . LYS F 1 72 ? 26.577 1.112 49.980 1.00 24.82 ? 80 LYS D CB 1 ATOM 3585 C CG . LYS F 1 72 ? 27.950 0.623 49.617 1.00 33.78 ? 80 LYS D CG 1 ATOM 3586 C CD . LYS F 1 72 ? 28.969 0.896 50.722 1.00 39.42 ? 80 LYS D CD 1 ATOM 3587 C CE . LYS F 1 72 ? 28.621 0.173 52.009 1.00 43.74 ? 80 LYS D CE 1 ATOM 3588 N NZ . LYS F 1 72 ? 27.536 0.851 52.762 1.00 46.32 ? 80 LYS D NZ 1 ATOM 3589 N N . VAL F 1 73 ? 25.881 -1.032 47.582 1.00 18.29 ? 81 VAL D N 1 ATOM 3590 C CA . VAL F 1 73 ? 25.654 -2.430 47.223 1.00 19.11 ? 81 VAL D CA 1 ATOM 3591 C C . VAL F 1 73 ? 26.829 -3.255 47.731 1.00 21.77 ? 81 VAL D C 1 ATOM 3592 O O . VAL F 1 73 ? 27.978 -3.007 47.344 1.00 20.76 ? 81 VAL D O 1 ATOM 3593 C CB . VAL F 1 73 ? 25.495 -2.615 45.697 1.00 19.24 ? 81 VAL D CB 1 ATOM 3594 C CG1 . VAL F 1 73 ? 25.190 -4.077 45.359 1.00 22.68 ? 81 VAL D CG1 1 ATOM 3595 C CG2 . VAL F 1 73 ? 24.412 -1.676 45.142 1.00 18.57 ? 81 VAL D CG2 1 ATOM 3596 N N . VAL F 1 74 ? 26.554 -4.228 48.600 1.00 20.04 ? 82 VAL D N 1 ATOM 3597 C CA . VAL F 1 74 ? 27.633 -4.985 49.235 1.00 21.14 ? 82 VAL D CA 1 ATOM 3598 C C . VAL F 1 74 ? 27.413 -6.488 49.159 1.00 22.08 ? 82 VAL D C 1 ATOM 3599 O O . VAL F 1 74 ? 26.318 -6.946 48.868 1.00 21.99 ? 82 VAL D O 1 ATOM 3600 C CB . VAL F 1 74 ? 27.804 -4.595 50.715 1.00 24.35 ? 82 VAL D CB 1 ATOM 3601 C CG1 . VAL F 1 74 ? 28.115 -3.098 50.838 1.00 26.64 ? 82 VAL D CG1 1 ATOM 3602 C CG2 . VAL F 1 74 ? 26.545 -4.961 51.513 1.00 28.60 ? 82 VAL D CG2 1 ATOM 3603 N N . HIS F 1 75 ? 28.471 -7.249 49.428 1.00 27.88 ? 83 HIS D N 1 ATOM 3604 C CA . HIS F 1 75 ? 28.372 -8.700 49.422 1.00 30.78 ? 83 HIS D CA 1 ATOM 3605 C C . HIS F 1 75 ? 27.553 -9.197 50.605 1.00 29.02 ? 83 HIS D C 1 ATOM 3606 O O . HIS F 1 75 ? 27.473 -8.547 51.652 1.00 27.84 ? 83 HIS D O 1 ATOM 3607 C CB . HIS F 1 75 ? 29.761 -9.340 49.443 1.00 40.20 ? 83 HIS D CB 1 ATOM 3608 C CG . HIS F 1 75 ? 30.449 -9.330 48.116 1.00 47.66 ? 83 HIS D CG 1 ATOM 3609 N ND1 . HIS F 1 75 ? 30.868 -8.168 47.503 1.00 50.94 ? 83 HIS D ND1 1 ATOM 3610 C CD2 . HIS F 1 75 ? 30.787 -10.339 47.279 1.00 51.75 ? 83 HIS D CD2 1 ATOM 3611 C CE1 . HIS F 1 75 ? 31.440 -8.463 46.349 1.00 53.53 ? 83 HIS D CE1 1 ATOM 3612 N NE2 . HIS F 1 75 ? 31.403 -9.773 46.189 1.00 54.33 ? 83 HIS D NE2 1 ATOM 3613 N N . ILE F 1 76 ? 26.931 -10.351 50.422 1.00 29.12 ? 84 ILE D N 1 ATOM 3614 C CA . ILE F 1 76 ? 26.185 -10.987 51.494 1.00 34.67 ? 84 ILE D CA 1 ATOM 3615 C C . ILE F 1 76 ? 27.134 -11.740 52.423 1.00 41.26 ? 84 ILE D C 1 ATOM 3616 O O . ILE F 1 76 ? 27.243 -11.406 53.600 1.00 44.73 ? 84 ILE D O 1 ATOM 3617 C CB . ILE F 1 76 ? 25.130 -11.955 50.944 1.00 32.98 ? 84 ILE D CB 1 ATOM 3618 C CG1 . ILE F 1 76 ? 24.084 -11.187 50.136 1.00 30.66 ? 84 ILE D CG1 1 ATOM 3619 C CG2 . ILE F 1 76 ? 24.497 -12.746 52.078 1.00 36.23 ? 84 ILE D CG2 1 ATOM 3620 C CD1 . ILE F 1 76 ? 23.052 -12.072 49.456 1.00 31.11 ? 84 ILE D CD1 1 ATOM 3621 N N . ASP F 1 88 ? 36.876 -1.423 45.714 1.00 63.71 ? 96 ASP D N 1 ATOM 3622 C CA . ASP F 1 88 ? 35.705 -1.416 44.844 1.00 60.89 ? 96 ASP D CA 1 ATOM 3623 C C . ASP F 1 88 ? 34.416 -1.221 45.625 1.00 55.07 ? 96 ASP D C 1 ATOM 3624 O O . ASP F 1 88 ? 34.036 -2.063 46.443 1.00 57.70 ? 96 ASP D O 1 ATOM 3625 C CB . ASP F 1 88 ? 35.624 -2.712 44.051 1.00 65.48 ? 96 ASP D CB 1 ATOM 3626 C CG . ASP F 1 88 ? 34.441 -2.735 43.086 1.00 68.13 ? 96 ASP D CG 1 ATOM 3627 O OD1 . ASP F 1 88 ? 33.799 -1.673 42.886 1.00 69.15 ? 96 ASP D OD1 1 ATOM 3628 O OD2 . ASP F 1 88 ? 34.163 -3.809 42.508 1.00 68.96 ? 96 ASP D OD2 1 ATOM 3629 N N . THR F 1 89 ? 33.740 -0.111 45.342 1.00 47.15 ? 97 THR D N 1 ATOM 3630 C CA . THR F 1 89 ? 32.487 0.212 46.008 1.00 38.62 ? 97 THR D CA 1 ATOM 3631 C C . THR F 1 89 ? 31.416 0.607 44.989 1.00 31.20 ? 97 THR D C 1 ATOM 3632 O O . THR F 1 89 ? 31.677 1.259 43.978 1.00 29.92 ? 97 THR D O 1 ATOM 3633 C CB . THR F 1 89 ? 32.655 1.348 47.046 1.00 43.47 ? 97 THR D CB 1 ATOM 3634 O OG1 . THR F 1 89 ? 33.418 2.415 46.468 1.00 47.76 ? 97 THR D OG1 1 ATOM 3635 C CG2 . THR F 1 89 ? 33.359 0.845 48.313 1.00 44.23 ? 97 THR D CG2 1 ATOM 3636 N N . GLU F 1 90 ? 30.194 0.196 45.268 1.00 26.08 ? 98 GLU D N 1 ATOM 3637 C CA . GLU F 1 90 ? 29.096 0.365 44.328 1.00 22.22 ? 98 GLU D CA 1 ATOM 3638 C C . GLU F 1 90 ? 27.975 1.132 45.009 1.00 19.43 ? 98 GLU D C 1 ATOM 3639 O O . GLU F 1 90 ? 27.597 0.798 46.126 1.00 22.69 ? 98 GLU D O 1 ATOM 3640 C CB . GLU F 1 90 ? 28.602 -1.000 43.846 1.00 22.80 ? 98 GLU D CB 1 ATOM 3641 C CG . GLU F 1 90 ? 27.563 -0.978 42.743 1.00 23.03 ? 98 GLU D CG 1 ATOM 3642 C CD . GLU F 1 90 ? 27.066 -2.379 42.406 1.00 28.11 ? 98 GLU D CD 1 ATOM 3643 O OE1 . GLU F 1 90 ? 27.741 -3.354 42.790 1.00 28.24 ? 98 GLU D OE1 1 ATOM 3644 O OE2 . GLU F 1 90 ? 26.000 -2.514 41.769 1.00 30.58 ? 98 GLU D OE2 1 ATOM 3645 N N . PHE F 1 91 ? 27.468 2.161 44.337 1.00 19.20 ? 99 PHE D N 1 ATOM 3646 C CA . PHE F 1 91 ? 26.360 2.964 44.837 1.00 18.34 ? 99 PHE D CA 1 ATOM 3647 C C . PHE F 1 91 ? 25.193 2.933 43.866 1.00 18.34 ? 99 PHE D C 1 ATOM 3648 O O . PHE F 1 91 ? 25.364 2.651 42.680 1.00 19.03 ? 99 PHE D O 1 ATOM 3649 C CB . PHE F 1 91 ? 26.795 4.415 45.055 1.00 18.29 ? 99 PHE D CB 1 ATOM 3650 C CG . PHE F 1 91 ? 27.916 4.576 46.044 1.00 18.37 ? 99 PHE D CG 1 ATOM 3651 C CD1 . PHE F 1 91 ? 27.684 4.477 47.398 1.00 21.41 ? 99 PHE D CD1 1 ATOM 3652 C CD2 . PHE F 1 91 ? 29.209 4.841 45.608 1.00 27.78 ? 99 PHE D CD2 1 ATOM 3653 C CE1 . PHE F 1 91 ? 28.728 4.626 48.309 1.00 24.10 ? 99 PHE D CE1 1 ATOM 3654 C CE2 . PHE F 1 91 ? 30.247 4.994 46.514 1.00 29.62 ? 99 PHE D CE2 1 ATOM 3655 C CZ . PHE F 1 91 ? 30.003 4.889 47.862 1.00 27.14 ? 99 PHE D CZ 1 ATOM 3656 N N . GLN F 1 92 ? 24.001 3.252 44.354 1.00 17.76 ? 100 GLN D N 1 ATOM 3657 C CA . GLN F 1 92 ? 22.871 3.341 43.456 1.00 17.95 ? 100 GLN D CA 1 ATOM 3658 C C . GLN F 1 92 ? 21.736 4.157 44.044 1.00 17.58 ? 100 GLN D C 1 ATOM 3659 O O . GLN F 1 92 ? 21.660 4.362 45.251 1.00 17.10 ? 100 GLN D O 1 ATOM 3660 C CB . GLN F 1 92 ? 22.358 1.947 43.089 1.00 18.56 ? 100 GLN D CB 1 ATOM 3661 C CG . GLN F 1 92 ? 21.792 1.186 44.268 1.00 18.69 ? 100 GLN D CG 1 ATOM 3662 C CD . GLN F 1 92 ? 21.337 -0.213 43.883 1.00 19.23 ? 100 GLN D CD 1 ATOM 3663 O OE1 . GLN F 1 92 ? 21.900 -0.825 42.976 1.00 21.09 ? 100 GLN D OE1 1 ATOM 3664 N NE2 . GLN F 1 92 ? 20.293 -0.710 44.547 1.00 20.35 ? 100 GLN D NE2 1 ATOM 3665 N N . HIS F 1 93 ? 20.866 4.617 43.150 1.00 18.04 ? 101 HIS D N 1 ATOM 3666 C CA . HIS F 1 93 ? 19.657 5.349 43.499 1.00 18.07 ? 101 HIS D CA 1 ATOM 3667 C C . HIS F 1 93 ? 18.603 5.049 42.431 1.00 18.71 ? 101 HIS D C 1 ATOM 3668 O O . HIS F 1 93 ? 18.927 5.015 41.257 1.00 19.31 ? 101 HIS D O 1 ATOM 3669 C CB . HIS F 1 93 ? 19.960 6.853 43.569 1.00 18.36 ? 101 HIS D CB 1 ATOM 3670 C CG . HIS F 1 93 ? 18.836 7.674 44.103 1.00 18.58 ? 101 HIS D CG 1 ATOM 3671 N ND1 . HIS F 1 93 ? 17.627 7.798 43.451 1.00 20.34 ? 101 HIS D ND1 1 ATOM 3672 C CD2 . HIS F 1 93 ? 18.744 8.428 45.221 1.00 18.41 ? 101 HIS D CD2 1 ATOM 3673 C CE1 . HIS F 1 93 ? 16.831 8.580 44.159 1.00 20.91 ? 101 HIS D CE1 1 ATOM 3674 N NE2 . HIS F 1 93 ? 17.487 8.980 45.235 1.00 20.79 ? 101 HIS D NE2 1 ATOM 3675 N N . PRO F 1 94 ? 17.342 4.816 42.826 1.00 18.74 ? 102 PRO D N 1 ATOM 3676 C CA . PRO F 1 94 ? 16.343 4.464 41.803 1.00 22.24 ? 102 PRO D CA 1 ATOM 3677 C C . PRO F 1 94 ? 16.147 5.523 40.717 1.00 20.49 ? 102 PRO D C 1 ATOM 3678 O O . PRO F 1 94 ? 15.651 5.183 39.641 1.00 21.25 ? 102 PRO D O 1 ATOM 3679 C CB . PRO F 1 94 ? 15.050 4.286 42.616 1.00 24.28 ? 102 PRO D CB 1 ATOM 3680 C CG . PRO F 1 94 ? 15.321 4.899 43.948 1.00 22.75 ? 102 PRO D CG 1 ATOM 3681 C CD . PRO F 1 94 ? 16.787 4.774 44.187 1.00 19.82 ? 102 PRO D CD 1 ATOM 3682 N N . CYS F 1 95 ? 16.530 6.773 40.981 1.00 21.34 ? 103 CYS D N 1 ATOM 3683 C CA . CYS F 1 95 ? 16.374 7.851 40.002 1.00 23.66 ? 103 CYS D CA 1 ATOM 3684 C C . CYS F 1 95 ? 17.695 8.295 39.367 1.00 22.01 ? 103 CYS D C 1 ATOM 3685 O O . CYS F 1 95 ? 17.765 9.353 38.746 1.00 23.01 ? 103 CYS D O 1 ATOM 3686 C CB . CYS F 1 95 ? 15.696 9.058 40.652 1.00 22.28 ? 103 CYS D CB 1 ATOM 3687 S SG . CYS F 1 95 ? 14.018 8.720 41.240 1.00 31.72 ? 103 CYS D SG 1 ATOM 3688 N N . PHE F 1 96 ? 18.739 7.487 39.534 1.00 21.27 ? 104 PHE D N 1 ATOM 3689 C CA . PHE F 1 96 ? 20.063 7.783 38.987 1.00 21.58 ? 104 PHE D CA 1 ATOM 3690 C C . PHE F 1 96 ? 20.429 6.670 38.024 1.00 23.22 ? 104 PHE D C 1 ATOM 3691 O O . PHE F 1 96 ? 21.101 5.705 38.404 1.00 21.33 ? 104 PHE D O 1 ATOM 3692 C CB . PHE F 1 96 ? 21.091 7.902 40.118 1.00 20.68 ? 104 PHE D CB 1 ATOM 3693 C CG . PHE F 1 96 ? 22.425 8.439 39.689 1.00 21.91 ? 104 PHE D CG 1 ATOM 3694 C CD1 . PHE F 1 96 ? 22.639 9.805 39.586 1.00 22.44 ? 104 PHE D CD1 1 ATOM 3695 C CD2 . PHE F 1 96 ? 23.471 7.575 39.419 1.00 23.24 ? 104 PHE D CD2 1 ATOM 3696 C CE1 . PHE F 1 96 ? 23.879 10.308 39.203 1.00 22.38 ? 104 PHE D CE1 1 ATOM 3697 C CE2 . PHE F 1 96 ? 24.707 8.064 39.032 1.00 21.84 ? 104 PHE D CE2 1 ATOM 3698 C CZ . PHE F 1 96 ? 24.912 9.438 38.929 1.00 22.40 ? 104 PHE D CZ 1 ATOM 3699 N N . LEU F 1 97 ? 19.961 6.794 36.784 1.00 23.08 ? 105 LEU D N 1 ATOM 3700 C CA . LEU F 1 97 ? 20.046 5.698 35.827 1.00 23.61 ? 105 LEU D CA 1 ATOM 3701 C C . LEU F 1 97 ? 20.707 6.139 34.538 1.00 25.42 ? 105 LEU D C 1 ATOM 3702 O O . LEU F 1 97 ? 20.556 7.287 34.111 1.00 27.63 ? 105 LEU D O 1 ATOM 3703 C CB . LEU F 1 97 ? 18.656 5.136 35.512 1.00 23.86 ? 105 LEU D CB 1 ATOM 3704 C CG . LEU F 1 97 ? 17.731 4.795 36.680 1.00 24.02 ? 105 LEU D CG 1 ATOM 3705 C CD1 . LEU F 1 97 ? 16.368 4.343 36.152 1.00 23.76 ? 105 LEU D CD1 1 ATOM 3706 C CD2 . LEU F 1 97 ? 18.356 3.730 37.579 1.00 25.21 ? 105 LEU D CD2 1 ATOM 3707 N N . ARG F 1 98 ? 21.419 5.211 33.907 1.00 25.45 ? 106 ARG D N 1 ATOM 3708 C CA . ARG F 1 98 ? 22.023 5.466 32.611 1.00 27.04 ? 106 ARG D CA 1 ATOM 3709 C C . ARG F 1 98 ? 20.970 5.909 31.598 1.00 28.28 ? 106 ARG D C 1 ATOM 3710 O O . ARG F 1 98 ? 19.912 5.285 31.476 1.00 28.20 ? 106 ARG D O 1 ATOM 3711 C CB . ARG F 1 98 ? 22.749 4.217 32.101 1.00 27.48 ? 106 ARG D CB 1 ATOM 3712 C CG . ARG F 1 98 ? 23.431 4.406 30.766 1.00 29.33 ? 106 ARG D CG 1 ATOM 3713 C CD . ARG F 1 98 ? 24.282 3.197 30.404 1.00 30.02 ? 106 ARG D CD 1 ATOM 3714 N NE . ARG F 1 98 ? 23.475 1.985 30.305 1.00 33.67 ? 106 ARG D NE 1 ATOM 3715 C CZ . ARG F 1 98 ? 23.833 0.806 30.803 1.00 32.97 ? 106 ARG D CZ 1 ATOM 3716 N NH1 . ARG F 1 98 ? 24.991 0.671 31.433 1.00 35.52 ? 106 ARG D NH1 1 ATOM 3717 N NH2 . ARG F 1 98 ? 23.031 -0.238 30.670 1.00 30.07 ? 106 ARG D NH2 1 ATOM 3718 N N . GLY F 1 99 ? 21.262 6.993 30.887 1.00 29.59 ? 107 GLY D N 1 ATOM 3719 C CA . GLY F 1 99 ? 20.417 7.450 29.794 1.00 31.20 ? 107 GLY D CA 1 ATOM 3720 C C . GLY F 1 99 ? 19.087 8.047 30.220 1.00 33.05 ? 107 GLY D C 1 ATOM 3721 O O . GLY F 1 99 ? 18.202 8.249 29.383 1.00 32.77 ? 107 GLY D O 1 ATOM 3722 N N . GLN F 1 100 ? 18.943 8.336 31.513 1.00 30.59 ? 108 GLN D N 1 ATOM 3723 C CA . GLN F 1 100 ? 17.696 8.889 32.039 1.00 32.37 ? 108 GLN D CA 1 ATOM 3724 C C . GLN F 1 100 ? 17.985 10.071 32.959 1.00 29.03 ? 108 GLN D C 1 ATOM 3725 O O . GLN F 1 100 ? 17.568 10.082 34.121 1.00 30.88 ? 108 GLN D O 1 ATOM 3726 C CB . GLN F 1 100 ? 16.902 7.818 32.797 1.00 31.15 ? 108 GLN D CB 1 ATOM 3727 C CG . GLN F 1 100 ? 16.624 6.538 31.999 1.00 30.59 ? 108 GLN D CG 1 ATOM 3728 C CD . GLN F 1 100 ? 15.355 6.611 31.165 1.00 32.15 ? 108 GLN D CD 1 ATOM 3729 O OE1 . GLN F 1 100 ? 14.444 7.384 31.461 1.00 32.27 ? 108 GLN D OE1 1 ATOM 3730 N NE2 . GLN F 1 100 ? 15.287 5.791 30.116 1.00 34.60 ? 108 GLN D NE2 1 ATOM 3731 N N . GLU F 1 101 ? 18.710 11.058 32.446 1.00 30.11 ? 109 GLU D N 1 ATOM 3732 C CA . GLU F 1 101 ? 19.136 12.176 33.282 1.00 29.80 ? 109 GLU D CA 1 ATOM 3733 C C . GLU F 1 101 ? 17.953 13.008 33.778 1.00 30.97 ? 109 GLU D C 1 ATOM 3734 O O . GLU F 1 101 ? 18.047 13.688 34.801 1.00 29.61 ? 109 GLU D O 1 ATOM 3735 C CB . GLU F 1 101 ? 20.122 13.071 32.532 1.00 32.85 ? 109 GLU D CB 1 ATOM 3736 C CG . GLU F 1 101 ? 20.805 14.072 33.465 1.00 32.07 ? 109 GLU D CG 1 ATOM 3737 C CD . GLU F 1 101 ? 21.824 14.954 32.771 1.00 35.25 ? 109 GLU D CD 1 ATOM 3738 O OE1 . GLU F 1 101 ? 21.821 15.013 31.525 1.00 34.27 ? 109 GLU D OE1 1 ATOM 3739 O OE2 . GLU F 1 101 ? 22.631 15.590 33.484 1.00 36.78 ? 109 GLU D OE2 1 ATOM 3740 N N . GLN F 1 102 ? 16.833 12.951 33.068 1.00 32.01 ? 110 GLN D N 1 ATOM 3741 C CA . GLN F 1 102 ? 15.665 13.702 33.510 1.00 34.80 ? 110 GLN D CA 1 ATOM 3742 C C . GLN F 1 102 ? 15.153 13.194 34.868 1.00 30.50 ? 110 GLN D C 1 ATOM 3743 O O . GLN F 1 102 ? 14.458 13.916 35.584 1.00 31.58 ? 110 GLN D O 1 ATOM 3744 C CB . GLN F 1 102 ? 14.560 13.660 32.446 1.00 36.36 ? 110 GLN D CB 1 ATOM 3745 C CG . GLN F 1 102 ? 13.684 12.415 32.439 1.00 36.87 ? 110 GLN D CG 1 ATOM 3746 C CD . GLN F 1 102 ? 14.426 11.161 32.005 1.00 37.95 ? 110 GLN D CD 1 ATOM 3747 O OE1 . GLN F 1 102 ? 15.512 11.231 31.428 1.00 39.68 ? 110 GLN D OE1 1 ATOM 3748 N NE2 . GLN F 1 102 ? 13.834 10.008 32.276 1.00 31.55 ? 110 GLN D NE2 1 ATOM 3749 N N . LEU F 1 103 ? 15.522 11.971 35.244 1.00 28.89 ? 111 LEU D N 1 ATOM 3750 C CA . LEU F 1 103 ? 15.075 11.409 36.521 1.00 27.44 ? 111 LEU D CA 1 ATOM 3751 C C . LEU F 1 103 ? 15.700 12.068 37.756 1.00 26.64 ? 111 LEU D C 1 ATOM 3752 O O . LEU F 1 103 ? 15.190 11.923 38.871 1.00 26.86 ? 111 LEU D O 1 ATOM 3753 C CB . LEU F 1 103 ? 15.352 9.903 36.565 1.00 28.58 ? 111 LEU D CB 1 ATOM 3754 C CG . LEU F 1 103 ? 14.416 8.994 35.770 1.00 32.26 ? 111 LEU D CG 1 ATOM 3755 C CD1 . LEU F 1 103 ? 14.734 7.531 36.054 1.00 30.11 ? 111 LEU D CD1 1 ATOM 3756 C CD2 . LEU F 1 103 ? 12.967 9.303 36.101 1.00 34.41 ? 111 LEU D CD2 1 ATOM 3757 N N . LEU F 1 104 ? 16.807 12.780 37.571 1.00 27.52 ? 112 LEU D N 1 ATOM 3758 C CA . LEU F 1 104 ? 17.432 13.500 38.679 1.00 25.96 ? 112 LEU D CA 1 ATOM 3759 C C . LEU F 1 104 ? 16.463 14.486 39.324 1.00 27.90 ? 112 LEU D C 1 ATOM 3760 O O . LEU F 1 104 ? 16.606 14.839 40.496 1.00 29.83 ? 112 LEU D O 1 ATOM 3761 C CB . LEU F 1 104 ? 18.669 14.251 38.199 1.00 26.46 ? 112 LEU D CB 1 ATOM 3762 C CG . LEU F 1 104 ? 19.744 13.399 37.523 1.00 26.07 ? 112 LEU D CG 1 ATOM 3763 C CD1 . LEU F 1 104 ? 20.844 14.304 36.987 1.00 27.00 ? 112 LEU D CD1 1 ATOM 3764 C CD2 . LEU F 1 104 ? 20.288 12.396 38.515 1.00 24.34 ? 112 LEU D CD2 1 ATOM 3765 N N . GLU F 1 105 ? 15.483 14.937 38.548 1.00 29.68 ? 113 GLU D N 1 ATOM 3766 C CA . GLU F 1 105 ? 14.494 15.884 39.046 1.00 32.97 ? 113 GLU D CA 1 ATOM 3767 C C . GLU F 1 105 ? 13.720 15.340 40.245 1.00 32.71 ? 113 GLU D C 1 ATOM 3768 O O . GLU F 1 105 ? 13.142 16.107 41.016 1.00 35.00 ? 113 GLU D O 1 ATOM 3769 C CB . GLU F 1 105 ? 13.506 16.258 37.937 1.00 38.61 ? 113 GLU D CB 1 ATOM 3770 C CG . GLU F 1 105 ? 14.147 16.875 36.712 1.00 45.00 ? 113 GLU D CG 1 ATOM 3771 C CD . GLU F 1 105 ? 13.137 17.151 35.626 1.00 55.29 ? 113 GLU D CD 1 ATOM 3772 O OE1 . GLU F 1 105 ? 13.553 17.513 34.503 1.00 59.77 ? 113 GLU D OE1 1 ATOM 3773 O OE2 . GLU F 1 105 ? 11.926 17.002 35.903 1.00 58.74 ? 113 GLU D OE2 1 ATOM 3774 N N . ASN F 1 106 ? 13.711 14.020 40.401 1.00 33.57 ? 114 ASN D N 1 ATOM 3775 C CA . ASN F 1 106 ? 12.887 13.391 41.425 1.00 32.48 ? 114 ASN D CA 1 ATOM 3776 C C . ASN F 1 106 ? 13.678 13.082 42.686 1.00 31.78 ? 114 ASN D C 1 ATOM 3777 O O . ASN F 1 106 ? 13.113 12.689 43.704 1.00 33.74 ? 114 ASN D O 1 ATOM 3778 C CB . ASN F 1 106 ? 12.241 12.115 40.868 1.00 32.27 ? 114 ASN D CB 1 ATOM 3779 C CG . ASN F 1 106 ? 11.322 12.400 39.690 1.00 37.16 ? 114 ASN D CG 1 ATOM 3780 O OD1 . ASN F 1 106 ? 10.532 13.347 39.720 1.00 39.15 ? 114 ASN D OD1 1 ATOM 3781 N ND2 . ASN F 1 106 ? 11.436 11.598 38.640 1.00 38.99 ? 114 ASN D ND2 1 ATOM 3782 N N . ILE F 1 107 ? 14.993 13.268 42.611 1.00 27.83 ? 115 ILE D N 1 ATOM 3783 C CA . ILE F 1 107 ? 15.874 13.031 43.749 1.00 25.11 ? 115 ILE D CA 1 ATOM 3784 C C . ILE F 1 107 ? 15.704 14.123 44.796 1.00 27.85 ? 115 ILE D C 1 ATOM 3785 O O . ILE F 1 107 ? 15.804 15.307 44.494 1.00 31.14 ? 115 ILE D O 1 ATOM 3786 C CB . ILE F 1 107 ? 17.345 12.958 43.292 1.00 23.75 ? 115 ILE D CB 1 ATOM 3787 C CG1 . ILE F 1 107 ? 17.511 11.795 42.320 1.00 24.24 ? 115 ILE D CG1 1 ATOM 3788 C CG2 . ILE F 1 107 ? 18.296 12.820 44.490 1.00 23.23 ? 115 ILE D CG2 1 ATOM 3789 C CD1 . ILE F 1 107 ? 18.903 11.632 41.748 1.00 21.88 ? 115 ILE D CD1 1 ATOM 3790 N N . LYS F 1 108 ? 15.419 13.716 46.025 1.00 28.21 ? 116 LYS D N 1 ATOM 3791 C CA . LYS F 1 108 ? 15.231 14.663 47.109 1.00 32.72 ? 116 LYS D CA 1 ATOM 3792 C C . LYS F 1 108 ? 16.171 14.315 48.255 1.00 28.28 ? 116 LYS D C 1 ATOM 3793 O O . LYS F 1 108 ? 16.605 13.165 48.379 1.00 28.98 ? 116 LYS D O 1 ATOM 3794 C CB . LYS F 1 108 ? 13.773 14.664 47.585 1.00 41.22 ? 116 LYS D CB 1 ATOM 3795 C CG . LYS F 1 108 ? 12.750 15.102 46.525 1.00 48.94 ? 116 LYS D CG 1 ATOM 3796 C CD . LYS F 1 108 ? 12.987 16.541 46.062 1.00 56.57 ? 116 LYS D CD 1 ATOM 3797 C CE . LYS F 1 108 ? 11.806 17.098 45.251 1.00 61.52 ? 116 LYS D CE 1 ATOM 3798 N NZ . LYS F 1 108 ? 11.595 16.416 43.938 1.00 61.23 ? 116 LYS D NZ 1 ATOM 3799 N N . ARG F 1 109 ? 16.498 15.303 49.079 1.00 24.78 ? 117 ARG D N 1 ATOM 3800 C CA . ARG F 1 109 ? 17.244 15.038 50.297 1.00 27.27 ? 117 ARG D CA 1 ATOM 3801 C C . ARG F 1 109 ? 16.421 14.181 51.229 1.00 31.52 ? 117 ARG D C 1 ATOM 3802 O O . ARG F 1 109 ? 15.193 14.297 51.270 1.00 31.26 ? 117 ARG D O 1 ATOM 3803 C CB . ARG F 1 109 ? 17.632 16.332 50.996 1.00 30.43 ? 117 ARG D CB 1 ATOM 3804 C CG . ARG F 1 109 ? 18.565 17.166 50.195 1.00 29.65 ? 117 ARG D CG 1 ATOM 3805 C CD . ARG F 1 109 ? 19.127 18.288 51.030 1.00 34.45 ? 117 ARG D CD 1 ATOM 3806 N NE . ARG F 1 109 ? 19.880 19.213 50.196 1.00 38.44 ? 117 ARG D NE 1 ATOM 3807 C CZ . ARG F 1 109 ? 20.819 20.032 50.651 1.00 37.11 ? 117 ARG D CZ 1 ATOM 3808 N NH1 . ARG F 1 109 ? 21.141 20.027 51.939 1.00 36.77 ? 117 ARG D NH1 1 ATOM 3809 N NH2 . ARG F 1 109 ? 21.445 20.839 49.811 1.00 36.87 ? 117 ARG D NH2 1 ATOM 3810 N N . LYS F 1 110 ? 17.100 13.335 51.990 1.00 34.65 ? 118 LYS D N 1 ATOM 3811 C CA . LYS F 1 110 ? 16.418 12.389 52.859 1.00 44.68 ? 118 LYS D CA 1 ATOM 3812 C C . LYS F 1 110 ? 17.269 12.060 54.082 1.00 48.90 ? 118 LYS D C 1 ATOM 3813 O O . LYS F 1 110 ? 17.151 12.714 55.123 1.00 51.15 ? 118 LYS D O 1 ATOM 3814 C CB . LYS F 1 110 ? 16.060 11.123 52.070 1.00 50.47 ? 118 LYS D CB 1 ATOM 3815 C CG . LYS F 1 110 ? 14.977 11.373 51.011 1.00 54.87 ? 118 LYS D CG 1 ATOM 3816 C CD . LYS F 1 110 ? 14.762 10.198 50.063 1.00 55.19 ? 118 LYS D CD 1 ATOM 3817 C CE . LYS F 1 110 ? 13.676 10.534 49.036 1.00 55.35 ? 118 LYS D CE 1 ATOM 3818 N NZ . LYS F 1 110 ? 13.517 9.497 47.973 1.00 54.70 ? 118 LYS D NZ 1 ATOM 3819 O "O5'" . DG G 2 1 ? 21.220 -27.566 54.268 1.00 36.21 ? 1 DG G "O5'" 1 ATOM 3820 C "C5'" . DG G 2 1 ? 20.042 -27.210 53.580 1.00 35.19 ? 1 DG G "C5'" 1 ATOM 3821 C "C4'" . DG G 2 1 ? 19.846 -28.103 52.374 1.00 37.49 ? 1 DG G "C4'" 1 ATOM 3822 O "O4'" . DG G 2 1 ? 19.985 -29.491 52.780 1.00 35.92 ? 1 DG G "O4'" 1 ATOM 3823 C "C3'" . DG G 2 1 ? 18.484 -28.010 51.717 1.00 36.92 ? 1 DG G "C3'" 1 ATOM 3824 O "O3'" . DG G 2 1 ? 18.608 -28.344 50.336 1.00 35.99 ? 1 DG G "O3'" 1 ATOM 3825 C "C2'" . DG G 2 1 ? 17.685 -29.059 52.487 1.00 35.13 ? 1 DG G "C2'" 1 ATOM 3826 C "C1'" . DG G 2 1 ? 18.737 -30.150 52.681 1.00 35.68 ? 1 DG G "C1'" 1 ATOM 3827 N N9 . DG G 2 1 ? 18.552 -30.966 53.883 1.00 35.50 ? 1 DG G N9 1 ATOM 3828 C C8 . DG G 2 1 ? 18.410 -30.529 55.176 1.00 35.03 ? 1 DG G C8 1 ATOM 3829 N N7 . DG G 2 1 ? 18.283 -31.502 56.043 1.00 35.09 ? 1 DG G N7 1 ATOM 3830 C C5 . DG G 2 1 ? 18.342 -32.653 55.275 1.00 35.59 ? 1 DG G C5 1 ATOM 3831 C C6 . DG G 2 1 ? 18.266 -34.015 55.663 1.00 35.92 ? 1 DG G C6 1 ATOM 3832 O O6 . DG G 2 1 ? 18.107 -34.477 56.796 1.00 35.82 ? 1 DG G O6 1 ATOM 3833 N N1 . DG G 2 1 ? 18.379 -34.868 54.569 1.00 36.48 ? 1 DG G N1 1 ATOM 3834 C C2 . DG G 2 1 ? 18.553 -34.457 53.267 1.00 36.72 ? 1 DG G C2 1 ATOM 3835 N N2 . DG G 2 1 ? 18.637 -35.424 52.340 1.00 37.35 ? 1 DG G N2 1 ATOM 3836 N N3 . DG G 2 1 ? 18.625 -33.185 52.894 1.00 36.44 ? 1 DG G N3 1 ATOM 3837 C C4 . DG G 2 1 ? 18.518 -32.343 53.946 1.00 35.87 ? 1 DG G C4 1 ATOM 3838 P P . DG G 2 2 ? 17.371 -28.154 49.335 1.00 39.03 ? 2 DG G P 1 ATOM 3839 O OP1 . DG G 2 2 ? 17.911 -27.617 48.063 1.00 42.26 ? 2 DG G OP1 1 ATOM 3840 O OP2 . DG G 2 2 ? 16.308 -27.412 50.056 1.00 43.16 ? 2 DG G OP2 1 ATOM 3841 O "O5'" . DG G 2 2 ? 16.856 -29.639 49.085 1.00 41.22 ? 2 DG G "O5'" 1 ATOM 3842 C "C5'" . DG G 2 2 ? 17.709 -30.586 48.477 1.00 42.40 ? 2 DG G "C5'" 1 ATOM 3843 C "C4'" . DG G 2 2 ? 16.953 -31.866 48.183 1.00 41.31 ? 2 DG G "C4'" 1 ATOM 3844 O "O4'" . DG G 2 2 ? 16.885 -32.678 49.382 1.00 39.90 ? 2 DG G "O4'" 1 ATOM 3845 C "C3'" . DG G 2 2 ? 15.515 -31.667 47.714 1.00 43.31 ? 2 DG G "C3'" 1 ATOM 3846 O "O3'" . DG G 2 2 ? 15.240 -32.557 46.647 1.00 46.88 ? 2 DG G "O3'" 1 ATOM 3847 C "C2'" . DG G 2 2 ? 14.680 -31.990 48.959 1.00 41.50 ? 2 DG G "C2'" 1 ATOM 3848 C "C1'" . DG G 2 2 ? 15.541 -33.039 49.647 1.00 41.67 ? 2 DG G "C1'" 1 ATOM 3849 N N9 . DG G 2 2 ? 15.377 -33.084 51.097 1.00 39.81 ? 2 DG G N9 1 ATOM 3850 C C8 . DG G 2 2 ? 15.386 -32.018 51.964 1.00 38.40 ? 2 DG G C8 1 ATOM 3851 N N7 . DG G 2 2 ? 15.244 -32.366 53.215 1.00 34.99 ? 2 DG G N7 1 ATOM 3852 C C5 . DG G 2 2 ? 15.152 -33.751 53.174 1.00 35.38 ? 2 DG G C5 1 ATOM 3853 C C6 . DG G 2 2 ? 14.994 -34.681 54.224 1.00 35.33 ? 2 DG G C6 1 ATOM 3854 O O6 . DG G 2 2 ? 14.899 -34.460 55.435 1.00 34.95 ? 2 DG G O6 1 ATOM 3855 N N1 . DG G 2 2 ? 14.944 -35.991 53.748 1.00 35.88 ? 2 DG G N1 1 ATOM 3856 C C2 . DG G 2 2 ? 15.039 -36.349 52.427 1.00 37.78 ? 2 DG G C2 1 ATOM 3857 N N2 . DG G 2 2 ? 14.971 -37.661 52.162 1.00 40.07 ? 2 DG G N2 1 ATOM 3858 N N3 . DG G 2 2 ? 15.190 -35.484 51.432 1.00 36.50 ? 2 DG G N3 1 ATOM 3859 C C4 . DG G 2 2 ? 15.235 -34.208 51.878 1.00 35.95 ? 2 DG G C4 1 ATOM 3860 P P . DT G 2 3 ? 13.805 -32.538 45.933 1.00 49.78 ? 3 DT G P 1 ATOM 3861 O OP1 . DT G 2 3 ? 13.995 -32.948 44.527 1.00 53.03 ? 3 DT G OP1 1 ATOM 3862 O OP2 . DT G 2 3 ? 13.153 -31.253 46.270 1.00 47.87 ? 3 DT G OP2 1 ATOM 3863 O "O5'" . DT G 2 3 ? 13.010 -33.700 46.674 1.00 44.12 ? 3 DT G "O5'" 1 ATOM 3864 C "C5'" . DT G 2 3 ? 13.575 -34.993 46.736 1.00 42.03 ? 3 DT G "C5'" 1 ATOM 3865 C "C4'" . DT G 2 3 ? 12.746 -35.883 47.629 1.00 42.02 ? 3 DT G "C4'" 1 ATOM 3866 O "O4'" . DT G 2 3 ? 12.951 -35.511 49.003 1.00 39.14 ? 3 DT G "O4'" 1 ATOM 3867 C "C3'" . DT G 2 3 ? 11.234 -35.797 47.392 1.00 44.42 ? 3 DT G "C3'" 1 ATOM 3868 O "O3'" . DT G 2 3 ? 10.780 -37.016 46.797 1.00 46.61 ? 3 DT G "O3'" 1 ATOM 3869 C "C2'" . DT G 2 3 ? 10.631 -35.561 48.795 1.00 41.85 ? 3 DT G "C2'" 1 ATOM 3870 C "C1'" . DT G 2 3 ? 11.805 -35.871 49.721 1.00 38.62 ? 3 DT G "C1'" 1 ATOM 3871 N N1 . DT G 2 3 ? 11.803 -35.114 51.011 1.00 35.81 ? 3 DT G N1 1 ATOM 3872 C C2 . DT G 2 3 ? 11.789 -35.814 52.194 1.00 35.38 ? 3 DT G C2 1 ATOM 3873 O O2 . DT G 2 3 ? 11.758 -37.028 52.248 1.00 35.76 ? 3 DT G O2 1 ATOM 3874 N N3 . DT G 2 3 ? 11.804 -35.042 53.317 1.00 34.79 ? 3 DT G N3 1 ATOM 3875 C C4 . DT G 2 3 ? 11.835 -33.664 53.382 1.00 34.37 ? 3 DT G C4 1 ATOM 3876 O O4 . DT G 2 3 ? 11.847 -33.064 54.448 1.00 33.91 ? 3 DT G O4 1 ATOM 3877 C C5 . DT G 2 3 ? 11.848 -32.985 52.105 1.00 34.60 ? 3 DT G C5 1 ATOM 3878 C C7 . DT G 2 3 ? 11.880 -31.488 52.046 1.00 34.26 ? 3 DT G C7 1 ATOM 3879 C C6 . DT G 2 3 ? 11.833 -33.735 50.993 1.00 35.21 ? 3 DT G C6 1 ATOM 3880 P P . DT G 2 4 ? 9.215 -37.302 46.568 1.00 54.97 ? 4 DT G P 1 ATOM 3881 O OP1 . DT G 2 4 ? 9.106 -38.151 45.361 1.00 57.19 ? 4 DT G OP1 1 ATOM 3882 O OP2 . DT G 2 4 ? 8.459 -36.030 46.639 1.00 55.40 ? 4 DT G OP2 1 ATOM 3883 O "O5'" . DT G 2 4 ? 8.824 -38.174 47.846 1.00 45.18 ? 4 DT G "O5'" 1 ATOM 3884 C "C5'" . DT G 2 4 ? 9.681 -39.232 48.252 1.00 41.97 ? 4 DT G "C5'" 1 ATOM 3885 C "C4'" . DT G 2 4 ? 9.208 -39.853 49.556 1.00 40.79 ? 4 DT G "C4'" 1 ATOM 3886 O "O4'" . DT G 2 4 ? 9.455 -38.944 50.658 1.00 39.89 ? 4 DT G "O4'" 1 ATOM 3887 C "C3'" . DT G 2 4 ? 7.727 -40.209 49.615 1.00 41.03 ? 4 DT G "C3'" 1 ATOM 3888 O "O3'" . DT G 2 4 ? 7.599 -41.511 50.166 1.00 44.42 ? 4 DT G "O3'" 1 ATOM 3889 C "C2'" . DT G 2 4 ? 7.136 -39.129 50.535 1.00 38.60 ? 4 DT G "C2'" 1 ATOM 3890 C "C1'" . DT G 2 4 ? 8.308 -38.850 51.460 1.00 39.31 ? 4 DT G "C1'" 1 ATOM 3891 N N1 . DT G 2 4 ? 8.308 -37.500 52.080 1.00 35.16 ? 4 DT G N1 1 ATOM 3892 C C2 . DT G 2 4 ? 8.504 -37.390 53.436 1.00 34.71 ? 4 DT G C2 1 ATOM 3893 O O2 . DT G 2 4 ? 8.648 -38.352 54.168 1.00 34.85 ? 4 DT G O2 1 ATOM 3894 N N3 . DT G 2 4 ? 8.520 -36.106 53.911 1.00 34.35 ? 4 DT G N3 1 ATOM 3895 C C4 . DT G 2 4 ? 8.364 -34.945 53.178 1.00 34.02 ? 4 DT G C4 1 ATOM 3896 O O4 . DT G 2 4 ? 8.389 -33.834 53.699 1.00 33.55 ? 4 DT G O4 1 ATOM 3897 C C5 . DT G 2 4 ? 8.173 -35.130 51.758 1.00 34.53 ? 4 DT G C5 1 ATOM 3898 C C7 . DT G 2 4 ? 7.993 -33.939 50.858 1.00 34.53 ? 4 DT G C7 1 ATOM 3899 C C6 . DT G 2 4 ? 8.158 -36.385 51.282 1.00 35.08 ? 4 DT G C6 1 ATOM 3900 P P . DC G 2 5 ? 6.158 -42.169 50.409 1.00 40.36 ? 5 DC G P 1 ATOM 3901 O OP1 . DC G 2 5 ? 6.279 -43.606 50.072 1.00 45.14 ? 5 DC G OP1 1 ATOM 3902 O OP2 . DC G 2 5 ? 5.128 -41.323 49.764 1.00 40.92 ? 5 DC G OP2 1 ATOM 3903 O "O5'" . DC G 2 5 ? 5.954 -42.041 51.980 1.00 36.37 ? 5 DC G "O5'" 1 ATOM 3904 C "C5'" . DC G 2 5 ? 6.927 -42.565 52.844 1.00 36.48 ? 5 DC G "C5'" 1 ATOM 3905 C "C4'" . DC G 2 5 ? 6.595 -42.237 54.282 1.00 38.47 ? 5 DC G "C4'" 1 ATOM 3906 O "O4'" . DC G 2 5 ? 6.640 -40.805 54.486 1.00 35.21 ? 5 DC G "O4'" 1 ATOM 3907 C "C3'" . DC G 2 5 ? 5.217 -42.690 54.754 1.00 37.41 ? 5 DC G "C3'" 1 ATOM 3908 O "O3'" . DC G 2 5 ? 5.365 -43.258 56.044 1.00 38.12 ? 5 DC G "O3'" 1 ATOM 3909 C "C2'" . DC G 2 5 ? 4.408 -41.379 54.779 1.00 34.90 ? 5 DC G "C2'" 1 ATOM 3910 C "C1'" . DC G 2 5 ? 5.491 -40.388 55.177 1.00 36.19 ? 5 DC G "C1'" 1 ATOM 3911 N N1 . DC G 2 5 ? 5.254 -38.960 54.789 1.00 34.18 ? 5 DC G N1 1 ATOM 3912 C C2 . DC G 2 5 ? 5.153 -37.978 55.785 1.00 33.63 ? 5 DC G C2 1 ATOM 3913 O O2 . DC G 2 5 ? 5.202 -38.314 56.976 1.00 33.41 ? 5 DC G O2 1 ATOM 3914 N N3 . DC G 2 5 ? 4.993 -36.682 55.414 1.00 33.24 ? 5 DC G N3 1 ATOM 3915 C C4 . DC G 2 5 ? 4.958 -36.355 54.122 1.00 33.52 ? 5 DC G C4 1 ATOM 3916 N N4 . DC G 2 5 ? 4.800 -35.063 53.808 1.00 33.24 ? 5 DC G N4 1 ATOM 3917 C C5 . DC G 2 5 ? 5.074 -37.336 53.094 1.00 34.16 ? 5 DC G C5 1 ATOM 3918 C C6 . DC G 2 5 ? 5.234 -38.614 53.471 1.00 34.47 ? 5 DC G C6 1 ATOM 3919 P P . DT G 2 6 ? 4.202 -44.160 56.687 1.00 37.84 ? 6 DT G P 1 ATOM 3920 O OP1 . DT G 2 6 ? 4.870 -45.180 57.529 1.00 38.96 ? 6 DT G OP1 1 ATOM 3921 O OP2 . DT G 2 6 ? 3.254 -44.532 55.613 1.00 39.01 ? 6 DT G OP2 1 ATOM 3922 O "O5'" . DT G 2 6 ? 3.430 -43.144 57.630 1.00 34.73 ? 6 DT G "O5'" 1 ATOM 3923 C "C5'" . DT G 2 6 ? 4.102 -42.537 58.694 1.00 36.58 ? 6 DT G "C5'" 1 ATOM 3924 C "C4'" . DT G 2 6 ? 3.156 -41.624 59.431 1.00 38.79 ? 6 DT G "C4'" 1 ATOM 3925 O "O4'" . DT G 2 6 ? 3.134 -40.311 58.804 1.00 35.16 ? 6 DT G "O4'" 1 ATOM 3926 C "C3'" . DT G 2 6 ? 1.696 -42.097 59.459 1.00 43.72 ? 6 DT G "C3'" 1 ATOM 3927 O "O3'" . DT G 2 6 ? 1.183 -41.825 60.722 1.00 49.05 ? 6 DT G "O3'" 1 ATOM 3928 C "C2'" . DT G 2 6 ? 1.039 -41.196 58.411 1.00 39.72 ? 6 DT G "C2'" 1 ATOM 3929 C "C1'" . DT G 2 6 ? 1.790 -39.906 58.681 1.00 37.02 ? 6 DT G "C1'" 1 ATOM 3930 N N1 . DT G 2 6 ? 1.703 -38.884 57.604 1.00 32.90 ? 6 DT G N1 1 ATOM 3931 C C2 . DT G 2 6 ? 1.726 -37.552 57.954 1.00 32.42 ? 6 DT G C2 1 ATOM 3932 O O2 . DT G 2 6 ? 1.794 -37.173 59.108 1.00 33.32 ? 6 DT G O2 1 ATOM 3933 N N3 . DT G 2 6 ? 1.660 -36.677 56.905 1.00 32.40 ? 6 DT G N3 1 ATOM 3934 C C4 . DT G 2 6 ? 1.579 -36.993 55.566 1.00 32.82 ? 6 DT G C4 1 ATOM 3935 O O4 . DT G 2 6 ? 1.527 -36.132 54.696 1.00 32.84 ? 6 DT G O4 1 ATOM 3936 C C5 . DT G 2 6 ? 1.556 -38.415 55.262 1.00 33.89 ? 6 DT G C5 1 ATOM 3937 C C7 . DT G 2 6 ? 1.470 -38.887 53.839 1.00 33.91 ? 6 DT G C7 1 ATOM 3938 C C6 . DT G 2 6 ? 1.623 -39.279 56.286 1.00 33.33 ? 6 DT G C6 1 ATOM 3939 P P . DA G 2 7 ? 0.383 -42.920 61.579 1.00 50.64 ? 7 DA G P 1 ATOM 3940 O OP1 . DA G 2 7 ? 1.359 -43.623 62.437 1.00 50.15 ? 7 DA G OP1 1 ATOM 3941 O OP2 . DA G 2 7 ? -0.533 -43.698 60.711 1.00 47.27 ? 7 DA G OP2 1 ATOM 3942 O "O5'" . DA G 2 7 ? -0.492 -41.978 62.524 1.00 34.19 ? 7 DA G "O5'" 1 ATOM 3943 C "C5'" . DA G 2 7 ? 0.169 -40.998 63.294 1.00 36.09 ? 7 DA G "C5'" 1 ATOM 3944 C "C4'" . DA G 2 7 ? -0.652 -39.739 63.331 1.00 36.16 ? 7 DA G "C4'" 1 ATOM 3945 O "O4'" . DA G 2 7 ? -0.512 -39.058 62.079 1.00 32.04 ? 7 DA G "O4'" 1 ATOM 3946 C "C3'" . DA G 2 7 ? -2.140 -39.987 63.523 1.00 36.80 ? 7 DA G "C3'" 1 ATOM 3947 O "O3'" . DA G 2 7 ? -2.519 -39.547 64.802 1.00 39.47 ? 7 DA G "O3'" 1 ATOM 3948 C "C2'" . DA G 2 7 ? -2.836 -39.180 62.413 1.00 35.45 ? 7 DA G "C2'" 1 ATOM 3949 C "C1'" . DA G 2 7 ? -1.708 -38.395 61.763 1.00 33.79 ? 7 DA G "C1'" 1 ATOM 3950 N N9 . DA G 2 7 ? -1.792 -38.352 60.315 1.00 34.26 ? 7 DA G N9 1 ATOM 3951 C C8 . DA G 2 7 ? -1.945 -39.413 59.472 1.00 35.10 ? 7 DA G C8 1 ATOM 3952 N N7 . DA G 2 7 ? -1.955 -39.084 58.206 1.00 34.76 ? 7 DA G N7 1 ATOM 3953 C C5 . DA G 2 7 ? -1.781 -37.711 58.222 1.00 32.06 ? 7 DA G C5 1 ATOM 3954 C C6 . DA G 2 7 ? -1.708 -36.757 57.196 1.00 35.08 ? 7 DA G C6 1 ATOM 3955 N N6 . DA G 2 7 ? -1.792 -37.066 55.898 1.00 35.70 ? 7 DA G N6 1 ATOM 3956 N N1 . DA G 2 7 ? -1.531 -35.474 57.553 1.00 33.02 ? 7 DA G N1 1 ATOM 3957 C C2 . DA G 2 7 ? -1.437 -35.169 58.851 1.00 32.20 ? 7 DA G C2 1 ATOM 3958 N N3 . DA G 2 7 ? -1.494 -35.975 59.905 1.00 31.32 ? 7 DA G N3 1 ATOM 3959 C C4 . DA G 2 7 ? -1.674 -37.247 59.515 1.00 31.70 ? 7 DA G C4 1 ATOM 3960 P P . DG G 2 8 ? -4.038 -39.697 65.289 1.00 35.84 ? 8 DG G P 1 ATOM 3961 O OP1 . DG G 2 8 ? -4.005 -40.072 66.716 1.00 41.84 ? 8 DG G OP1 1 ATOM 3962 O OP2 . DG G 2 8 ? -4.779 -40.508 64.301 1.00 36.96 ? 8 DG G OP2 1 ATOM 3963 O "O5'" . DG G 2 8 ? -4.602 -38.216 65.171 1.00 35.35 ? 8 DG G "O5'" 1 ATOM 3964 C "C5'" . DG G 2 8 ? -3.800 -37.135 65.583 1.00 37.27 ? 8 DG G "C5'" 1 ATOM 3965 C "C4'" . DG G 2 8 ? -4.404 -35.843 65.100 1.00 37.85 ? 8 DG G "C4'" 1 ATOM 3966 O "O4'" . DG G 2 8 ? -4.192 -35.731 63.669 1.00 38.15 ? 8 DG G "O4'" 1 ATOM 3967 C "C3'" . DG G 2 8 ? -5.911 -35.743 65.312 1.00 43.16 ? 8 DG G "C3'" 1 ATOM 3968 O "O3'" . DG G 2 8 ? -6.249 -34.425 65.683 1.00 47.91 ? 8 DG G "O3'" 1 ATOM 3969 C "C2'" . DG G 2 8 ? -6.478 -36.105 63.944 1.00 42.51 ? 8 DG G "C2'" 1 ATOM 3970 C "C1'" . DG G 2 8 ? -5.428 -35.508 63.028 1.00 37.62 ? 8 DG G "C1'" 1 ATOM 3971 N N9 . DG G 2 8 ? -5.385 -36.120 61.706 1.00 34.53 ? 8 DG G N9 1 ATOM 3972 C C8 . DG G 2 8 ? -5.620 -37.434 61.387 1.00 33.40 ? 8 DG G C8 1 ATOM 3973 N N7 . DG G 2 8 ? -5.507 -37.688 60.111 1.00 33.76 ? 8 DG G N7 1 ATOM 3974 C C5 . DG G 2 8 ? -5.175 -36.458 59.551 1.00 34.94 ? 8 DG G C5 1 ATOM 3975 C C6 . DG G 2 8 ? -4.927 -36.105 58.204 1.00 33.95 ? 8 DG G C6 1 ATOM 3976 O O6 . DG G 2 8 ? -4.947 -36.836 57.199 1.00 32.83 ? 8 DG G O6 1 ATOM 3977 N N1 . DG G 2 8 ? -4.629 -34.751 58.074 1.00 33.73 ? 8 DG G N1 1 ATOM 3978 C C2 . DG G 2 8 ? -4.574 -33.854 59.114 1.00 34.32 ? 8 DG G C2 1 ATOM 3979 N N2 . DG G 2 8 ? -4.269 -32.588 58.796 1.00 35.16 ? 8 DG G N2 1 ATOM 3980 N N3 . DG G 2 8 ? -4.805 -34.172 60.378 1.00 36.63 ? 8 DG G N3 1 ATOM 3981 C C4 . DG G 2 8 ? -5.097 -35.487 60.521 1.00 34.47 ? 8 DG G C4 1 ATOM 3982 P P . DA G 2 9 ? -7.743 -34.065 66.143 1.00 49.44 ? 9 DA G P 1 ATOM 3983 O OP1 . DA G 2 9 ? -7.661 -33.663 67.560 1.00 52.94 ? 9 DA G OP1 1 ATOM 3984 O OP2 . DA G 2 9 ? -8.681 -35.130 65.725 1.00 48.11 ? 9 DA G OP2 1 ATOM 3985 O "O5'" . DA G 2 9 ? -8.089 -32.791 65.251 1.00 35.29 ? 9 DA G "O5'" 1 ATOM 3986 C "C5'" . DA G 2 9 ? -7.104 -31.817 65.014 1.00 34.31 ? 9 DA G "C5'" 1 ATOM 3987 C "C4'" . DA G 2 9 ? -7.430 -31.025 63.764 1.00 34.25 ? 9 DA G "C4'" 1 ATOM 3988 O "O4'" . DA G 2 9 ? -7.204 -31.856 62.596 1.00 35.33 ? 9 DA G "O4'" 1 ATOM 3989 C "C3'" . DA G 2 9 ? -8.871 -30.520 63.657 1.00 35.81 ? 9 DA G "C3'" 1 ATOM 3990 O "O3'" . DA G 2 9 ? -8.849 -29.203 63.123 1.00 38.66 ? 9 DA G "O3'" 1 ATOM 3991 C "C2'" . DA G 2 9 ? -9.515 -31.520 62.694 1.00 36.64 ? 9 DA G "C2'" 1 ATOM 3992 C "C1'" . DA G 2 9 ? -8.349 -31.841 61.774 1.00 36.53 ? 9 DA G "C1'" 1 ATOM 3993 N N9 . DA G 2 9 ? -8.439 -33.139 61.103 1.00 35.17 ? 9 DA G N9 1 ATOM 3994 C C8 . DA G 2 9 ? -8.772 -34.343 61.657 1.00 34.02 ? 9 DA G C8 1 ATOM 3995 N N7 . DA G 2 9 ? -8.746 -35.346 60.802 1.00 30.94 ? 9 DA G N7 1 ATOM 3996 C C5 . DA G 2 9 ? -8.365 -34.750 59.607 1.00 31.03 ? 9 DA G C5 1 ATOM 3997 C C6 . DA G 2 9 ? -8.154 -35.259 58.307 1.00 31.41 ? 9 DA G C6 1 ATOM 3998 N N6 . DA G 2 9 ? -8.310 -36.550 57.983 1.00 31.76 ? 9 DA G N6 1 ATOM 3999 N N1 . DA G 2 9 ? -7.777 -34.385 57.346 1.00 31.48 ? 9 DA G N1 1 ATOM 4000 C C2 . DA G 2 9 ? -7.628 -33.095 57.666 1.00 35.48 ? 9 DA G C2 1 ATOM 4001 N N3 . DA G 2 9 ? -7.798 -32.501 58.846 1.00 30.81 ? 9 DA G N3 1 ATOM 4002 C C4 . DA G 2 9 ? -8.170 -33.391 59.781 1.00 30.76 ? 9 DA G C4 1 ATOM 4003 P P . DA G 2 10 ? -10.191 -28.331 62.936 1.00 37.70 ? 10 DA G P 1 ATOM 4004 O OP1 . DA G 2 10 ? -9.843 -26.995 63.467 1.00 39.59 ? 10 DA G OP1 1 ATOM 4005 O OP2 . DA G 2 10 ? -11.390 -29.039 63.418 1.00 37.63 ? 10 DA G OP2 1 ATOM 4006 O "O5'" . DA G 2 10 ? -10.337 -28.233 61.355 1.00 35.80 ? 10 DA G "O5'" 1 ATOM 4007 C "C5'" . DA G 2 10 ? -9.227 -27.822 60.580 1.00 34.20 ? 10 DA G "C5'" 1 ATOM 4008 C "C4'" . DA G 2 10 ? -9.565 -27.874 59.110 1.00 34.89 ? 10 DA G "C4'" 1 ATOM 4009 O "O4'" . DA G 2 10 ? -9.563 -29.256 58.666 1.00 33.54 ? 10 DA G "O4'" 1 ATOM 4010 C "C3'" . DA G 2 10 ? -10.938 -27.319 58.747 1.00 32.46 ? 10 DA G "C3'" 1 ATOM 4011 O "O3'" . DA G 2 10 ? -10.856 -26.654 57.501 1.00 36.49 ? 10 DA G "O3'" 1 ATOM 4012 C "C2'" . DA G 2 10 ? -11.800 -28.579 58.656 1.00 32.11 ? 10 DA G "C2'" 1 ATOM 4013 C "C1'" . DA G 2 10 ? -10.803 -29.570 58.075 1.00 30.99 ? 10 DA G "C1'" 1 ATOM 4014 N N9 . DA G 2 10 ? -11.099 -30.963 58.381 1.00 31.05 ? 10 DA G N9 1 ATOM 4015 C C8 . DA G 2 10 ? -11.467 -31.477 59.589 1.00 30.85 ? 10 DA G C8 1 ATOM 4016 N N7 . DA G 2 10 ? -11.644 -32.774 59.577 1.00 31.02 ? 10 DA G N7 1 ATOM 4017 C C5 . DA G 2 10 ? -11.357 -33.138 58.269 1.00 31.35 ? 10 DA G C5 1 ATOM 4018 C C6 . DA G 2 10 ? -11.361 -34.384 57.605 1.00 31.71 ? 10 DA G C6 1 ATOM 4019 N N6 . DA G 2 10 ? -11.676 -35.534 58.203 1.00 31.77 ? 10 DA G N6 1 ATOM 4020 N N1 . DA G 2 10 ? -11.030 -34.396 56.298 1.00 32.08 ? 10 DA G N1 1 ATOM 4021 C C2 . DA G 2 10 ? -10.717 -33.240 55.702 1.00 32.66 ? 10 DA G C2 1 ATOM 4022 N N3 . DA G 2 10 ? -10.680 -32.013 56.221 1.00 31.76 ? 10 DA G N3 1 ATOM 4023 C C4 . DA G 2 10 ? -11.014 -32.034 57.521 1.00 32.40 ? 10 DA G C4 1 ATOM 4024 P P . DC G 2 11 ? -12.070 -25.746 56.974 1.00 37.27 ? 11 DC G P 1 ATOM 4025 O OP1 . DC G 2 11 ? -11.458 -24.505 56.450 1.00 40.52 ? 11 DC G OP1 1 ATOM 4026 O OP2 . DC G 2 11 ? -13.134 -25.728 58.005 1.00 35.06 ? 11 DC G OP2 1 ATOM 4027 O "O5'" . DC G 2 11 ? -12.676 -26.590 55.766 1.00 36.29 ? 11 DC G "O5'" 1 ATOM 4028 C "C5'" . DC G 2 11 ? -11.830 -27.054 54.740 1.00 36.73 ? 11 DC G "C5'" 1 ATOM 4029 C "C4'" . DC G 2 11 ? -12.510 -28.164 53.974 1.00 35.51 ? 11 DC G "C4'" 1 ATOM 4030 O "O4'" . DC G 2 11 ? -12.556 -29.343 54.795 1.00 35.52 ? 11 DC G "O4'" 1 ATOM 4031 C "C3'" . DC G 2 11 ? -13.966 -27.876 53.585 1.00 33.12 ? 11 DC G "C3'" 1 ATOM 4032 O "O3'" . DC G 2 11 ? -14.054 -27.692 52.184 1.00 33.80 ? 11 DC G "O3'" 1 ATOM 4033 C "C2'" . DC G 2 11 ? -14.742 -29.127 54.048 1.00 37.57 ? 11 DC G "C2'" 1 ATOM 4034 C "C1'" . DC G 2 11 ? -13.624 -30.122 54.355 1.00 35.33 ? 11 DC G "C1'" 1 ATOM 4035 N N1 . DC G 2 11 ? -13.970 -31.125 55.416 1.00 32.49 ? 11 DC G N1 1 ATOM 4036 C C2 . DC G 2 11 ? -14.016 -32.482 55.084 1.00 32.74 ? 11 DC G C2 1 ATOM 4037 O O2 . DC G 2 11 ? -13.761 -32.822 53.928 1.00 33.20 ? 11 DC G O2 1 ATOM 4038 N N3 . DC G 2 11 ? -14.345 -33.382 56.038 1.00 32.53 ? 11 DC G N3 1 ATOM 4039 C C4 . DC G 2 11 ? -14.624 -32.979 57.271 1.00 32.12 ? 11 DC G C4 1 ATOM 4040 N N4 . DC G 2 11 ? -14.940 -33.910 58.176 1.00 32.00 ? 11 DC G N4 1 ATOM 4041 C C5 . DC G 2 11 ? -14.582 -31.597 57.637 1.00 31.87 ? 11 DC G C5 1 ATOM 4042 C C6 . DC G 2 11 ? -14.254 -30.715 56.682 1.00 32.06 ? 11 DC G C6 1 ATOM 4043 P P . DC G 2 12 ? -15.447 -27.282 51.496 1.00 38.01 ? 12 DC G P 1 ATOM 4044 O OP1 . DC G 2 12 ? -15.108 -26.520 50.273 1.00 41.02 ? 12 DC G OP1 1 ATOM 4045 O OP2 . DC G 2 12 ? -16.310 -26.648 52.522 1.00 36.56 ? 12 DC G OP2 1 ATOM 4046 O "O5'" . DC G 2 12 ? -16.096 -28.683 51.083 1.00 34.89 ? 12 DC G "O5'" 1 ATOM 4047 C "C5'" . DC G 2 12 ? -15.467 -29.493 50.105 1.00 36.52 ? 12 DC G "C5'" 1 ATOM 4048 C "C4'" . DC G 2 12 ? -16.166 -30.835 49.994 1.00 35.57 ? 12 DC G "C4'" 1 ATOM 4049 O "O4'" . DC G 2 12 ? -15.941 -31.585 51.196 1.00 36.13 ? 12 DC G "O4'" 1 ATOM 4050 C "C3'" . DC G 2 12 ? -17.677 -30.753 49.882 1.00 36.05 ? 12 DC G "C3'" 1 ATOM 4051 O "O3'" . DC G 2 12 ? -18.059 -30.663 48.514 1.00 37.00 ? 12 DC G "O3'" 1 ATOM 4052 C "C2'" . DC G 2 12 ? -18.159 -32.068 50.515 1.00 35.88 ? 12 DC G "C2'" 1 ATOM 4053 C "C1'" . DC G 2 12 ? -16.951 -32.555 51.321 1.00 35.14 ? 12 DC G "C1'" 1 ATOM 4054 N N1 . DC G 2 12 ? -17.224 -32.762 52.764 1.00 34.48 ? 12 DC G N1 1 ATOM 4055 C C2 . DC G 2 12 ? -17.476 -34.055 53.237 1.00 34.43 ? 12 DC G C2 1 ATOM 4056 O O2 . DC G 2 12 ? -17.482 -34.999 52.438 1.00 34.92 ? 12 DC G O2 1 ATOM 4057 N N3 . DC G 2 12 ? -17.713 -34.236 54.557 1.00 33.92 ? 12 DC G N3 1 ATOM 4058 C C4 . DC G 2 12 ? -17.700 -33.196 55.385 1.00 33.47 ? 12 DC G C4 1 ATOM 4059 N N4 . DC G 2 12 ? -17.940 -33.429 56.679 1.00 33.06 ? 12 DC G N4 1 ATOM 4060 C C5 . DC G 2 12 ? -17.446 -31.866 54.922 1.00 33.50 ? 12 DC G C5 1 ATOM 4061 C C6 . DC G 2 12 ? -17.213 -31.698 53.618 1.00 34.01 ? 12 DC G C6 1 ATOM 4062 O "O5'" . DG H 2 1 ? -21.231 -43.612 58.430 1.00 56.58 ? 1 DG H "O5'" 1 ATOM 4063 C "C5'" . DG H 2 1 ? -19.848 -43.945 58.216 1.00 52.76 ? 1 DG H "C5'" 1 ATOM 4064 C "C4'" . DG H 2 1 ? -19.500 -43.900 56.732 1.00 47.24 ? 1 DG H "C4'" 1 ATOM 4065 O "O4'" . DG H 2 1 ? -19.547 -42.526 56.265 1.00 43.99 ? 1 DG H "O4'" 1 ATOM 4066 C "C3'" . DG H 2 1 ? -18.099 -44.370 56.370 1.00 44.11 ? 1 DG H "C3'" 1 ATOM 4067 O "O3'" . DG H 2 1 ? -18.061 -44.794 54.986 1.00 45.47 ? 1 DG H "O3'" 1 ATOM 4068 C "C2'" . DG H 2 1 ? -17.269 -43.109 56.562 1.00 45.43 ? 1 DG H "C2'" 1 ATOM 4069 C "C1'" . DG H 2 1 ? -18.228 -42.044 56.035 1.00 43.39 ? 1 DG H "C1'" 1 ATOM 4070 N N9 . DG H 2 1 ? -18.094 -40.734 56.688 1.00 47.06 ? 1 DG H N9 1 ATOM 4071 C C8 . DG H 2 1 ? -18.041 -40.476 58.037 1.00 44.45 ? 1 DG H C8 1 ATOM 4072 N N7 . DG H 2 1 ? -17.931 -39.204 58.319 1.00 42.48 ? 1 DG H N7 1 ATOM 4073 C C5 . DG H 2 1 ? -17.913 -38.578 57.077 1.00 43.56 ? 1 DG H C5 1 ATOM 4074 C C6 . DG H 2 1 ? -17.813 -37.203 56.745 1.00 41.85 ? 1 DG H C6 1 ATOM 4075 O O6 . DG H 2 1 ? -17.718 -36.233 57.508 1.00 41.37 ? 1 DG H O6 1 ATOM 4076 N N1 . DG H 2 1 ? -17.824 -37.005 55.365 1.00 42.49 ? 1 DG H N1 1 ATOM 4077 C C2 . DG H 2 1 ? -17.931 -38.006 54.427 1.00 43.19 ? 1 DG H C2 1 ATOM 4078 N N2 . DG H 2 1 ? -17.928 -37.624 53.145 1.00 43.84 ? 1 DG H N2 1 ATOM 4079 N N3 . DG H 2 1 ? -18.029 -39.292 54.725 1.00 43.32 ? 1 DG H N3 1 ATOM 4080 C C4 . DG H 2 1 ? -18.014 -39.504 56.064 1.00 42.66 ? 1 DG H C4 1 ATOM 4081 P P . DG H 2 2 ? -16.683 -45.321 54.312 1.00 44.77 ? 2 DG H P 1 ATOM 4082 O OP1 . DG H 2 2 ? -16.978 -46.329 53.256 1.00 45.95 ? 2 DG H OP1 1 ATOM 4083 O OP2 . DG H 2 2 ? -15.727 -45.686 55.377 1.00 52.44 ? 2 DG H OP2 1 ATOM 4084 O "O5'" . DG H 2 2 ? -16.078 -44.026 53.556 1.00 44.90 ? 2 DG H "O5'" 1 ATOM 4085 C "C5'" . DG H 2 2 ? -16.679 -43.531 52.366 1.00 45.34 ? 2 DG H "C5'" 1 ATOM 4086 C "C4'" . DG H 2 2 ? -15.899 -42.344 51.801 1.00 45.30 ? 2 DG H "C4'" 1 ATOM 4087 O "O4'" . DG H 2 2 ? -15.990 -41.202 52.691 1.00 44.15 ? 2 DG H "O4'" 1 ATOM 4088 C "C3'" . DG H 2 2 ? -14.404 -42.567 51.537 1.00 46.57 ? 2 DG H "C3'" 1 ATOM 4089 O "O3'" . DG H 2 2 ? -14.100 -42.087 50.224 1.00 48.64 ? 2 DG H "O3'" 1 ATOM 4090 C "C2'" . DG H 2 2 ? -13.720 -41.740 52.635 1.00 43.48 ? 2 DG H "C2'" 1 ATOM 4091 C "C1'" . DG H 2 2 ? -14.720 -40.606 52.807 1.00 43.45 ? 2 DG H "C1'" 1 ATOM 4092 N N9 . DG H 2 2 ? -14.662 -39.907 54.092 1.00 42.54 ? 2 DG H N9 1 ATOM 4093 C C8 . DG H 2 2 ? -14.768 -40.451 55.351 1.00 42.03 ? 2 DG H C8 1 ATOM 4094 N N7 . DG H 2 2 ? -14.725 -39.563 56.308 1.00 41.37 ? 2 DG H N7 1 ATOM 4095 C C5 . DG H 2 2 ? -14.607 -38.355 55.639 1.00 41.45 ? 2 DG H C5 1 ATOM 4096 C C6 . DG H 2 2 ? -14.515 -37.034 56.141 1.00 41.02 ? 2 DG H C6 1 ATOM 4097 O O6 . DG H 2 2 ? -14.522 -36.662 57.317 1.00 40.48 ? 2 DG H O6 1 ATOM 4098 N N1 . DG H 2 2 ? -14.403 -36.100 55.116 1.00 41.37 ? 2 DG H N1 1 ATOM 4099 C C2 . DG H 2 2 ? -14.385 -36.399 53.775 1.00 42.07 ? 2 DG H C2 1 ATOM 4100 N N2 . DG H 2 2 ? -14.274 -35.361 52.934 1.00 42.40 ? 2 DG H N2 1 ATOM 4101 N N3 . DG H 2 2 ? -14.471 -37.627 53.292 1.00 42.52 ? 2 DG H N3 1 ATOM 4102 C C4 . DG H 2 2 ? -14.580 -38.551 54.276 1.00 42.16 ? 2 DG H C4 1 ATOM 4103 P P . DT H 2 3 ? -12.586 -41.936 49.700 1.00 46.64 ? 3 DT H P 1 ATOM 4104 O OP1 . DT H 2 3 ? -12.643 -42.154 48.237 1.00 48.96 ? 3 DT H OP1 1 ATOM 4105 O OP2 . DT H 2 3 ? -11.657 -42.737 50.534 1.00 44.41 ? 3 DT H OP2 1 ATOM 4106 O "O5'" . DT H 2 3 ? -12.265 -40.391 49.928 1.00 47.70 ? 3 DT H "O5'" 1 ATOM 4107 C "C5'" . DT H 2 3 ? -12.973 -39.423 49.184 1.00 47.44 ? 3 DT H "C5'" 1 ATOM 4108 C "C4'" . DT H 2 3 ? -12.288 -38.075 49.265 1.00 48.55 ? 3 DT H "C4'" 1 ATOM 4109 O "O4'" . DT H 2 3 ? -12.369 -37.566 50.617 1.00 46.89 ? 3 DT H "O4'" 1 ATOM 4110 C "C3'" . DT H 2 3 ? -10.809 -38.071 48.891 1.00 50.12 ? 3 DT H "C3'" 1 ATOM 4111 O "O3'" . DT H 2 3 ? -10.558 -36.947 48.053 1.00 53.31 ? 3 DT H "O3'" 1 ATOM 4112 C "C2'" . DT H 2 3 ? -10.097 -37.956 50.249 1.00 46.92 ? 3 DT H "C2'" 1 ATOM 4113 C "C1'" . DT H 2 3 ? -11.098 -37.136 51.047 1.00 44.66 ? 3 DT H "C1'" 1 ATOM 4114 N N1 . DT H 2 3 ? -11.047 -37.339 52.524 1.00 41.93 ? 3 DT H N1 1 ATOM 4115 C C2 . DT H 2 3 ? -11.030 -36.238 53.351 1.00 41.37 ? 3 DT H C2 1 ATOM 4116 O O2 . DT H 2 3 ? -11.005 -35.090 52.938 1.00 41.52 ? 3 DT H O2 1 ATOM 4117 N N3 . DT H 2 3 ? -11.026 -36.527 54.690 1.00 40.73 ? 3 DT H N3 1 ATOM 4118 C C4 . DT H 2 3 ? -11.055 -37.777 55.274 1.00 40.57 ? 3 DT H C4 1 ATOM 4119 O O4 . DT H 2 3 ? -11.052 -37.931 56.491 1.00 40.05 ? 3 DT H O4 1 ATOM 4120 C C5 . DT H 2 3 ? -11.089 -38.892 54.352 1.00 41.16 ? 3 DT H C5 1 ATOM 4121 C C7 . DT H 2 3 ? -11.117 -40.299 54.874 1.00 41.14 ? 3 DT H C7 1 ATOM 4122 C C6 . DT H 2 3 ? -11.094 -38.621 53.036 1.00 41.82 ? 3 DT H C6 1 ATOM 4123 P P . DT H 2 4 ? -9.079 -36.625 47.526 1.00 57.75 ? 4 DT H P 1 ATOM 4124 O OP1 . DT H 2 4 ? -9.176 -36.308 46.086 1.00 59.71 ? 4 DT H OP1 1 ATOM 4125 O OP2 . DT H 2 4 ? -8.185 -37.703 47.999 1.00 56.39 ? 4 DT H OP2 1 ATOM 4126 O "O5'" . DT H 2 4 ? -8.698 -35.280 48.299 1.00 52.80 ? 4 DT H "O5'" 1 ATOM 4127 C "C5'" . DT H 2 4 ? -9.578 -34.174 48.255 1.00 43.99 ? 4 DT H "C5'" 1 ATOM 4128 C "C4'" . DT H 2 4 ? -9.124 -33.094 49.212 1.00 44.98 ? 4 DT H "C4'" 1 ATOM 4129 O "O4'" . DT H 2 4 ? -9.218 -33.581 50.572 1.00 43.49 ? 4 DT H "O4'" 1 ATOM 4130 C "C3'" . DT H 2 4 ? -7.682 -32.630 49.019 1.00 45.43 ? 4 DT H "C3'" 1 ATOM 4131 O "O3'" . DT H 2 4 ? -7.641 -31.213 49.016 1.00 45.16 ? 4 DT H "O3'" 1 ATOM 4132 C "C2'" . DT H 2 4 ? -6.938 -33.226 50.222 1.00 45.41 ? 4 DT H "C2'" 1 ATOM 4133 C "C1'" . DT H 2 4 ? -8.037 -33.270 51.270 1.00 44.51 ? 4 DT H "C1'" 1 ATOM 4134 N N1 . DT H 2 4 ? -7.849 -34.311 52.321 1.00 41.21 ? 4 DT H N1 1 ATOM 4135 C C2 . DT H 2 4 ? -7.843 -33.933 53.640 1.00 40.56 ? 4 DT H C2 1 ATOM 4136 O O2 . DT H 2 4 ? -7.944 -32.776 54.002 1.00 40.45 ? 4 DT H O2 1 ATOM 4137 N N3 . DT H 2 4 ? -7.698 -34.964 54.530 1.00 40.12 ? 4 DT H N3 1 ATOM 4138 C C4 . DT H 2 4 ? -7.572 -36.309 54.234 1.00 40.27 ? 4 DT H C4 1 ATOM 4139 O O4 . DT H 2 4 ? -7.453 -37.162 55.103 1.00 39.90 ? 4 DT H O4 1 ATOM 4140 C C5 . DT H 2 4 ? -7.605 -36.638 52.829 1.00 46.15 ? 4 DT H C5 1 ATOM 4141 C C7 . DT H 2 4 ? -7.480 -38.068 52.386 1.00 46.25 ? 4 DT H C7 1 ATOM 4142 C C6 . DT H 2 4 ? -7.749 -35.636 51.951 1.00 41.42 ? 4 DT H C6 1 ATOM 4143 P P . DC H 2 5 ? -6.270 -30.443 48.696 1.00 48.20 ? 5 DC H P 1 ATOM 4144 O OP1 . DC H 2 5 ? -6.603 -29.223 47.927 1.00 49.45 ? 5 DC H OP1 1 ATOM 4145 O OP2 . DC H 2 5 ? -5.328 -31.443 48.148 1.00 50.13 ? 5 DC H OP2 1 ATOM 4146 O "O5'" . DC H 2 5 ? -5.756 -29.981 50.131 1.00 46.25 ? 5 DC H "O5'" 1 ATOM 4147 C "C5'" . DC H 2 5 ? -6.603 -29.189 50.944 1.00 44.74 ? 5 DC H "C5'" 1 ATOM 4148 C "C4'" . DC H 2 5 ? -6.028 -29.037 52.332 1.00 42.04 ? 5 DC H "C4'" 1 ATOM 4149 O "O4'" . DC H 2 5 ? -6.050 -30.311 53.009 1.00 40.93 ? 5 DC H "O4'" 1 ATOM 4150 C "C3'" . DC H 2 5 ? -4.580 -28.551 52.374 1.00 41.92 ? 5 DC H "C3'" 1 ATOM 4151 O "O3'" . DC H 2 5 ? -4.499 -27.402 53.190 1.00 43.90 ? 5 DC H "O3'" 1 ATOM 4152 C "C2'" . DC H 2 5 ? -3.800 -29.733 52.968 1.00 41.59 ? 5 DC H "C2'" 1 ATOM 4153 C "C1'" . DC H 2 5 ? -4.873 -30.452 53.761 1.00 40.55 ? 5 DC H "C1'" 1 ATOM 4154 N N1 . DC H 2 5 ? -4.629 -31.904 53.935 1.00 40.24 ? 5 DC H N1 1 ATOM 4155 C C2 . DC H 2 5 ? -4.576 -32.448 55.221 1.00 39.67 ? 5 DC H C2 1 ATOM 4156 O O2 . DC H 2 5 ? -4.697 -31.704 56.199 1.00 39.41 ? 5 DC H O2 1 ATOM 4157 N N3 . DC H 2 5 ? -4.377 -33.777 55.359 1.00 40.02 ? 5 DC H N3 1 ATOM 4158 C C4 . DC H 2 5 ? -4.249 -34.548 54.282 1.00 39.87 ? 5 DC H C4 1 ATOM 4159 N N4 . DC H 2 5 ? -4.059 -35.853 54.472 1.00 43.91 ? 5 DC H N4 1 ATOM 4160 C C5 . DC H 2 5 ? -4.312 -34.016 52.963 1.00 40.49 ? 5 DC H C5 1 ATOM 4161 C C6 . DC H 2 5 ? -4.509 -32.701 52.838 1.00 43.97 ? 5 DC H C6 1 ATOM 4162 P P . DT H 2 6 ? -3.196 -26.469 53.143 1.00 56.13 ? 6 DT H P 1 ATOM 4163 O OP1 . DT H 2 6 ? -3.636 -25.089 53.446 1.00 55.71 ? 6 DT H OP1 1 ATOM 4164 O OP2 . DT H 2 6 ? -2.466 -26.780 51.892 1.00 56.55 ? 6 DT H OP2 1 ATOM 4165 O "O5'" . DT H 2 6 ? -2.317 -26.998 54.366 1.00 48.64 ? 6 DT H "O5'" 1 ATOM 4166 C "C5'" . DT H 2 6 ? -2.892 -27.077 55.653 1.00 47.65 ? 6 DT H "C5'" 1 ATOM 4167 C "C4'" . DT H 2 6 ? -1.945 -27.758 56.613 1.00 49.85 ? 6 DT H "C4'" 1 ATOM 4168 O "O4'" . DT H 2 6 ? -2.069 -29.196 56.492 1.00 49.88 ? 6 DT H "O4'" 1 ATOM 4169 C "C3'" . DT H 2 6 ? -0.462 -27.445 56.383 1.00 53.50 ? 6 DT H "C3'" 1 ATOM 4170 O "O3'" . DT H 2 6 ? 0.149 -27.212 57.614 1.00 57.09 ? 6 DT H "O3'" 1 ATOM 4171 C "C2'" . DT H 2 6 ? 0.069 -28.730 55.755 1.00 51.99 ? 6 DT H "C2'" 1 ATOM 4172 C "C1'" . DT H 2 6 ? -0.778 -29.751 56.485 1.00 48.61 ? 6 DT H "C1'" 1 ATOM 4173 N N1 . DT H 2 6 ? -0.829 -31.065 55.824 1.00 45.31 ? 6 DT H N1 1 ATOM 4174 C C2 . DT H 2 6 ? -0.940 -32.192 56.598 1.00 39.22 ? 6 DT H C2 1 ATOM 4175 O O2 . DT H 2 6 ? -1.004 -32.157 57.812 1.00 43.05 ? 6 DT H O2 1 ATOM 4176 N N3 . DT H 2 6 ? -0.976 -33.366 55.898 1.00 39.28 ? 6 DT H N3 1 ATOM 4177 C C4 . DT H 2 6 ? -0.916 -33.517 54.525 1.00 41.59 ? 6 DT H C4 1 ATOM 4178 O O4 . DT H 2 6 ? -0.961 -34.612 53.982 1.00 41.60 ? 6 DT H O4 1 ATOM 4179 C C5 . DT H 2 6 ? -0.795 -32.285 53.773 1.00 43.78 ? 6 DT H C5 1 ATOM 4180 C C7 . DT H 2 6 ? -0.718 -32.316 52.276 1.00 46.32 ? 6 DT H C7 1 ATOM 4181 C C6 . DT H 2 6 ? -0.759 -31.135 54.454 1.00 40.11 ? 6 DT H C6 1 ATOM 4182 P P . DA H 2 7 ? 1.056 -25.910 57.843 1.00 59.26 ? 7 DA H P 1 ATOM 4183 O OP1 . DA H 2 7 ? 0.165 -24.733 57.935 1.00 57.84 ? 7 DA H OP1 1 ATOM 4184 O OP2 . DA H 2 7 ? 2.146 -25.943 56.841 1.00 59.32 ? 7 DA H OP2 1 ATOM 4185 O "O5'" . DA H 2 7 ? 1.669 -26.169 59.287 1.00 47.63 ? 7 DA H "O5'" 1 ATOM 4186 C "C5'" . DA H 2 7 ? 0.823 -26.629 60.324 1.00 44.74 ? 7 DA H "C5'" 1 ATOM 4187 C "C4'" . DA H 2 7 ? 1.509 -27.715 61.121 1.00 44.16 ? 7 DA H "C4'" 1 ATOM 4188 O "O4'" . DA H 2 7 ? 1.407 -28.979 60.416 1.00 44.35 ? 7 DA H "O4'" 1 ATOM 4189 C "C3'" . DA H 2 7 ? 2.987 -27.472 61.378 1.00 44.63 ? 7 DA H "C3'" 1 ATOM 4190 O "O3'" . DA H 2 7 ? 3.273 -27.743 62.737 1.00 45.86 ? 7 DA H "O3'" 1 ATOM 4191 C "C2'" . DA H 2 7 ? 3.700 -28.441 60.419 1.00 44.45 ? 7 DA H "C2'" 1 ATOM 4192 C "C1'" . DA H 2 7 ? 2.681 -29.567 60.255 1.00 42.14 ? 7 DA H "C1'" 1 ATOM 4193 N N9 . DA H 2 7 ? 2.707 -30.216 58.939 1.00 39.44 ? 7 DA H N9 1 ATOM 4194 C C8 . DA H 2 7 ? 2.930 -29.622 57.728 1.00 39.86 ? 7 DA H C8 1 ATOM 4195 N N7 . DA H 2 7 ? 2.865 -30.451 56.707 1.00 39.88 ? 7 DA H N7 1 ATOM 4196 C C5 . DA H 2 7 ? 2.565 -31.675 57.291 1.00 39.42 ? 7 DA H C5 1 ATOM 4197 C C6 . DA H 2 7 ? 2.360 -32.964 56.750 1.00 39.30 ? 7 DA H C6 1 ATOM 4198 N N6 . DA H 2 7 ? 2.429 -33.239 55.440 1.00 39.65 ? 7 DA H N6 1 ATOM 4199 N N1 . DA H 2 7 ? 2.074 -33.962 57.610 1.00 38.89 ? 7 DA H N1 1 ATOM 4200 C C2 . DA H 2 7 ? 2.001 -33.686 58.917 1.00 38.63 ? 7 DA H C2 1 ATOM 4201 N N3 . DA H 2 7 ? 2.172 -32.521 59.539 1.00 42.89 ? 7 DA H N3 1 ATOM 4202 C C4 . DA H 2 7 ? 2.454 -31.547 58.662 1.00 39.14 ? 7 DA H C4 1 ATOM 4203 P P . DG H 2 8 ? 4.730 -27.460 63.340 1.00 64.09 ? 8 DG H P 1 ATOM 4204 O OP1 . DG H 2 8 ? 4.546 -26.796 64.648 1.00 67.35 ? 8 DG H OP1 1 ATOM 4205 O OP2 . DG H 2 8 ? 5.559 -26.836 62.285 1.00 63.71 ? 8 DG H OP2 1 ATOM 4206 O "O5'" . DG H 2 8 ? 5.285 -28.922 63.618 1.00 51.77 ? 8 DG H "O5'" 1 ATOM 4207 C "C5'" . DG H 2 8 ? 4.411 -29.887 64.166 1.00 50.95 ? 8 DG H "C5'" 1 ATOM 4208 C "C4'" . DG H 2 8 ? 4.895 -31.278 63.844 1.00 49.36 ? 8 DG H "C4'" 1 ATOM 4209 O "O4'" . DG H 2 8 ? 4.658 -31.563 62.444 1.00 48.30 ? 8 DG H "O4'" 1 ATOM 4210 C "C3'" . DG H 2 8 ? 6.391 -31.499 64.083 1.00 48.84 ? 8 DG H "C3'" 1 ATOM 4211 O "O3'" . DG H 2 8 ? 6.566 -32.621 64.929 1.00 50.95 ? 8 DG H "O3'" 1 ATOM 4212 C "C2'" . DG H 2 8 ? 6.956 -31.738 62.680 1.00 46.78 ? 8 DG H "C2'" 1 ATOM 4213 C "C1'" . DG H 2 8 ? 5.746 -32.297 61.961 1.00 45.87 ? 8 DG H "C1'" 1 ATOM 4214 N N9 . DG H 2 8 ? 5.812 -32.172 60.510 1.00 43.89 ? 8 DG H N9 1 ATOM 4215 C C8 . DG H 2 8 ? 6.099 -31.048 59.773 1.00 43.20 ? 8 DG H C8 1 ATOM 4216 N N7 . DG H 2 8 ? 6.090 -31.259 58.482 1.00 39.87 ? 8 DG H N7 1 ATOM 4217 C C5 . DG H 2 8 ? 5.783 -32.614 58.366 1.00 39.51 ? 8 DG H C5 1 ATOM 4218 C C6 . DG H 2 8 ? 5.644 -33.426 57.218 1.00 39.56 ? 8 DG H C6 1 ATOM 4219 O O6 . DG H 2 8 ? 5.758 -33.104 56.029 1.00 39.94 ? 8 DG H O6 1 ATOM 4220 N N1 . DG H 2 8 ? 5.325 -34.742 57.558 1.00 39.21 ? 8 DG H N1 1 ATOM 4221 C C2 . DG H 2 8 ? 5.172 -35.209 58.840 1.00 38.85 ? 8 DG H C2 1 ATOM 4222 N N2 . DG H 2 8 ? 4.869 -36.506 58.974 1.00 38.62 ? 8 DG H N2 1 ATOM 4223 N N3 . DG H 2 8 ? 5.304 -34.460 59.917 1.00 38.80 ? 8 DG H N3 1 ATOM 4224 C C4 . DG H 2 8 ? 5.610 -33.180 59.605 1.00 43.24 ? 8 DG H C4 1 ATOM 4225 P P . DA H 2 9 ? 8.029 -33.199 65.257 1.00 59.66 ? 9 DA H P 1 ATOM 4226 O OP1 . DA H 2 9 ? 8.094 -33.398 66.720 1.00 61.40 ? 9 DA H OP1 1 ATOM 4227 O OP2 . DA H 2 9 ? 9.073 -32.398 64.579 1.00 59.25 ? 9 DA H OP2 1 ATOM 4228 O "O5'" . DA H 2 9 ? 7.993 -34.626 64.568 1.00 47.94 ? 9 DA H "O5'" 1 ATOM 4229 C "C5'" . DA H 2 9 ? 6.787 -35.347 64.555 1.00 46.29 ? 9 DA H "C5'" 1 ATOM 4230 C "C4'" . DA H 2 9 ? 6.975 -36.660 63.847 1.00 46.42 ? 9 DA H "C4'" 1 ATOM 4231 O "O4'" . DA H 2 9 ? 6.903 -36.453 62.416 1.00 44.37 ? 9 DA H "O4'" 1 ATOM 4232 C "C3'" . DA H 2 9 ? 8.316 -37.325 64.110 1.00 47.52 ? 9 DA H "C3'" 1 ATOM 4233 O "O3'" . DA H 2 9 ? 8.144 -38.722 64.142 1.00 53.58 ? 9 DA H "O3'" 1 ATOM 4234 C "C2'" . DA H 2 9 ? 9.164 -36.877 62.918 1.00 43.85 ? 9 DA H "C2'" 1 ATOM 4235 C "C1'" . DA H 2 9 ? 8.124 -36.809 61.806 1.00 43.15 ? 9 DA H "C1'" 1 ATOM 4236 N N9 . DA H 2 9 ? 8.419 -35.818 60.777 1.00 42.57 ? 9 DA H N9 1 ATOM 4237 C C8 . DA H 2 9 ? 8.744 -34.502 60.966 1.00 41.64 ? 9 DA H C8 1 ATOM 4238 N N7 . DA H 2 9 ? 8.944 -33.843 59.851 1.00 39.74 ? 9 DA H N7 1 ATOM 4239 C C5 . DA H 2 9 ? 8.732 -34.788 58.862 1.00 39.63 ? 9 DA H C5 1 ATOM 4240 C C6 . DA H 2 9 ? 8.789 -34.723 57.454 1.00 40.18 ? 9 DA H C6 1 ATOM 4241 N N6 . DA H 2 9 ? 9.094 -33.609 56.778 1.00 40.35 ? 9 DA H N6 1 ATOM 4242 N N1 . DA H 2 9 ? 8.521 -35.853 56.765 1.00 41.19 ? 9 DA H N1 1 ATOM 4243 C C2 . DA H 2 9 ? 8.215 -36.965 57.443 1.00 39.47 ? 9 DA H C2 1 ATOM 4244 N N3 . DA H 2 9 ? 8.132 -37.146 58.757 1.00 39.16 ? 9 DA H N3 1 ATOM 4245 C C4 . DA H 2 9 ? 8.404 -36.010 59.416 1.00 42.53 ? 9 DA H C4 1 ATOM 4246 P P . DA H 2 10 ? 9.380 -39.681 64.490 1.00 64.22 ? 10 DA H P 1 ATOM 4247 O OP1 . DA H 2 10 ? 8.862 -40.766 65.351 1.00 65.69 ? 10 DA H OP1 1 ATOM 4248 O OP2 . DA H 2 10 ? 10.519 -38.840 64.930 1.00 64.92 ? 10 DA H OP2 1 ATOM 4249 O "O5'" . DA H 2 10 ? 9.771 -40.293 63.076 1.00 46.13 ? 10 DA H "O5'" 1 ATOM 4250 C "C5'" . DA H 2 10 ? 8.763 -40.776 62.222 1.00 42.12 ? 10 DA H "C5'" 1 ATOM 4251 C "C4'" . DA H 2 10 ? 9.353 -41.117 60.875 1.00 42.85 ? 10 DA H "C4'" 1 ATOM 4252 O "O4'" . DA H 2 10 ? 9.506 -39.907 60.103 1.00 42.44 ? 10 DA H "O4'" 1 ATOM 4253 C "C3'" . DA H 2 10 ? 10.735 -41.760 60.947 1.00 42.82 ? 10 DA H "C3'" 1 ATOM 4254 O "O3'" . DA H 2 10 ? 10.706 -43.019 60.311 1.00 45.70 ? 10 DA H "O3'" 1 ATOM 4255 C "C2'" . DA H 2 10 ? 11.669 -40.767 60.230 1.00 39.44 ? 10 DA H "C2'" 1 ATOM 4256 C "C1'" . DA H 2 10 ? 10.705 -39.965 59.374 1.00 43.05 ? 10 DA H "C1'" 1 ATOM 4257 N N9 . DA H 2 10 ? 11.132 -38.588 59.122 1.00 42.38 ? 10 DA H N9 1 ATOM 4258 C C8 . DA H 2 10 ? 11.426 -37.635 60.055 1.00 41.66 ? 10 DA H C8 1 ATOM 4259 N N7 . DA H 2 10 ? 11.759 -36.472 59.539 1.00 40.85 ? 10 DA H N7 1 ATOM 4260 C C5 . DA H 2 10 ? 11.665 -36.675 58.172 1.00 40.34 ? 10 DA H C5 1 ATOM 4261 C C6 . DA H 2 10 ? 11.890 -35.829 57.066 1.00 40.61 ? 10 DA H C6 1 ATOM 4262 N N6 . DA H 2 10 ? 12.269 -34.549 57.178 1.00 40.94 ? 10 DA H N6 1 ATOM 4263 N N1 . DA H 2 10 ? 11.707 -36.349 55.835 1.00 40.76 ? 10 DA H N1 1 ATOM 4264 C C2 . DA H 2 10 ? 11.325 -37.625 55.723 1.00 40.53 ? 10 DA H C2 1 ATOM 4265 N N3 . DA H 2 10 ? 11.085 -38.514 56.683 1.00 40.13 ? 10 DA H N3 1 ATOM 4266 C C4 . DA H 2 10 ? 11.277 -37.973 57.896 1.00 39.96 ? 10 DA H C4 1 ATOM 4267 P P . DC H 2 11 ? 11.992 -43.980 60.363 1.00 52.39 ? 11 DC H P 1 ATOM 4268 O OP1 . DC H 2 11 ? 11.500 -45.377 60.364 1.00 54.01 ? 11 DC H OP1 1 ATOM 4269 O OP2 . DC H 2 11 ? 12.894 -43.519 61.439 1.00 53.02 ? 11 DC H OP2 1 ATOM 4270 O "O5'" . DC H 2 11 ? 12.724 -43.691 58.977 1.00 46.36 ? 11 DC H "O5'" 1 ATOM 4271 C "C5'" . DC H 2 11 ? 12.006 -43.826 57.760 1.00 47.14 ? 11 DC H "C5'" 1 ATOM 4272 C "C4'" . DC H 2 11 ? 12.849 -43.343 56.605 1.00 49.36 ? 11 DC H "C4'" 1 ATOM 4273 O "O4'" . DC H 2 11 ? 12.865 -41.898 56.595 1.00 49.41 ? 11 DC H "O4'" 1 ATOM 4274 C "C3'" . DC H 2 11 ? 14.313 -43.781 56.674 1.00 50.16 ? 11 DC H "C3'" 1 ATOM 4275 O "O3'" . DC H 2 11 ? 14.609 -44.674 55.616 1.00 53.68 ? 11 DC H "O3'" 1 ATOM 4276 C "C2'" . DC H 2 11 ? 15.125 -42.480 56.563 1.00 49.86 ? 11 DC H "C2'" 1 ATOM 4277 C "C1'" . DC H 2 11 ? 14.099 -41.470 56.078 1.00 47.98 ? 11 DC H "C1'" 1 ATOM 4278 N N1 . DC H 2 11 ? 14.367 -40.085 56.566 1.00 46.00 ? 11 DC H N1 1 ATOM 4279 C C2 . DC H 2 11 ? 14.516 -39.046 55.644 1.00 44.67 ? 11 DC H C2 1 ATOM 4280 O O2 . DC H 2 11 ? 14.413 -39.294 54.435 1.00 44.32 ? 11 DC H O2 1 ATOM 4281 N N3 . DC H 2 11 ? 14.763 -37.794 56.102 1.00 41.39 ? 11 DC H N3 1 ATOM 4282 C C4 . DC H 2 11 ? 14.865 -37.570 57.414 1.00 41.18 ? 11 DC H C4 1 ATOM 4283 N N4 . DC H 2 11 ? 15.108 -36.320 57.818 1.00 41.41 ? 11 DC H N4 1 ATOM 4284 C C5 . DC H 2 11 ? 14.722 -38.618 58.370 1.00 40.81 ? 11 DC H C5 1 ATOM 4285 C C6 . DC H 2 11 ? 14.478 -39.849 57.905 1.00 40.68 ? 11 DC H C6 1 ATOM 4286 P P . DC H 2 12 ? 16.078 -45.314 55.507 1.00 53.12 ? 12 DC H P 1 ATOM 4287 O OP1 . DC H 2 12 ? 15.971 -46.605 54.798 1.00 58.74 ? 12 DC H OP1 1 ATOM 4288 O OP2 . DC H 2 12 ? 16.703 -45.276 56.849 1.00 52.49 ? 12 DC H OP2 1 ATOM 4289 O "O5'" . DC H 2 12 ? 16.878 -44.285 54.585 1.00 54.11 ? 12 DC H "O5'" 1 ATOM 4290 C "C5'" . DC H 2 12 ? 16.362 -43.916 53.319 1.00 51.00 ? 12 DC H "C5'" 1 ATOM 4291 C "C4'" . DC H 2 12 ? 17.150 -42.763 52.729 1.00 48.78 ? 12 DC H "C4'" 1 ATOM 4292 O "O4'" . DC H 2 12 ? 16.780 -41.538 53.386 1.00 46.50 ? 12 DC H "O4'" 1 ATOM 4293 C "C3'" . DC H 2 12 ? 18.650 -42.835 52.930 1.00 47.44 ? 12 DC H "C3'" 1 ATOM 4294 O "O3'" . DC H 2 12 ? 19.247 -43.639 51.926 1.00 43.84 ? 12 DC H "O3'" 1 ATOM 4295 C "C2'" . DC H 2 12 ? 19.067 -41.365 52.780 1.00 43.50 ? 12 DC H "C2'" 1 ATOM 4296 C "C1'" . DC H 2 12 ? 17.798 -40.594 53.157 1.00 42.97 ? 12 DC H "C1'" 1 ATOM 4297 N N1 . DC H 2 12 ? 17.955 -39.740 54.358 1.00 42.71 ? 12 DC H N1 1 ATOM 4298 C C2 . DC H 2 12 ? 18.125 -38.365 54.187 1.00 42.99 ? 12 DC H C2 1 ATOM 4299 O O2 . DC H 2 12 ? 18.138 -37.907 53.041 1.00 43.41 ? 12 DC H O2 1 ATOM 4300 N N3 . DC H 2 12 ? 18.271 -37.578 55.278 1.00 42.88 ? 12 DC H N3 1 ATOM 4301 C C4 . DC H 2 12 ? 18.248 -38.117 56.496 1.00 42.51 ? 12 DC H C4 1 ATOM 4302 N N4 . DC H 2 12 ? 18.394 -37.297 57.543 1.00 42.53 ? 12 DC H N4 1 ATOM 4303 C C5 . DC H 2 12 ? 18.079 -39.525 56.693 1.00 42.20 ? 12 DC H C5 1 ATOM 4304 C C6 . DC H 2 12 ? 17.934 -40.290 55.603 1.00 42.31 ? 12 DC H C6 1 HETATM 4305 C C1 . CIT I 3 . ? 8.947 -6.389 11.711 0.78 29.03 ? 201 CIT A C1 1 HETATM 4306 O O1 . CIT I 3 . ? 9.083 -5.207 11.323 0.78 25.46 ? 201 CIT A O1 1 HETATM 4307 O O2 . CIT I 3 . ? 8.760 -7.291 10.864 0.78 33.12 ? 201 CIT A O2 1 HETATM 4308 C C2 . CIT I 3 . ? 9.005 -6.760 13.172 0.78 25.64 ? 201 CIT A C2 1 HETATM 4309 C C3 . CIT I 3 . ? 8.225 -5.794 14.045 0.78 24.06 ? 201 CIT A C3 1 HETATM 4310 O O7 . CIT I 3 . ? 6.916 -5.559 13.470 0.78 24.95 ? 201 CIT A O7 1 HETATM 4311 C C4 . CIT I 3 . ? 8.144 -6.327 15.469 0.78 26.18 ? 201 CIT A C4 1 HETATM 4312 C C5 . CIT I 3 . ? 7.379 -5.354 16.339 0.78 29.14 ? 201 CIT A C5 1 HETATM 4313 O O3 . CIT I 3 . ? 6.605 -4.509 15.841 0.78 33.17 ? 201 CIT A O3 1 HETATM 4314 O O4 . CIT I 3 . ? 7.526 -5.364 17.573 0.78 29.75 ? 201 CIT A O4 1 HETATM 4315 C C6 . CIT I 3 . ? 8.949 -4.474 14.110 0.78 22.34 ? 201 CIT A C6 1 HETATM 4316 O O5 . CIT I 3 . ? 8.412 -3.416 13.719 0.78 24.67 ? 201 CIT A O5 1 HETATM 4317 O O6 . CIT I 3 . ? 10.101 -4.482 14.570 0.78 23.67 ? 201 CIT A O6 1 HETATM 4318 H H21 . CIT I 3 . ? 8.603 -7.765 13.303 0.78 30.77 ? 201 CIT A H21 1 HETATM 4319 H H22 . CIT I 3 . ? 10.046 -6.776 13.497 0.78 30.77 ? 201 CIT A H22 1 HETATM 4320 H HO7 . CIT I 3 . ? 6.816 -4.607 13.263 0.78 29.94 ? 201 CIT A HO7 1 HETATM 4321 H H41 . CIT I 3 . ? 9.149 -6.464 15.868 0.78 31.41 ? 201 CIT A H41 1 HETATM 4322 H H42 . CIT I 3 . ? 7.643 -7.294 15.471 0.78 31.41 ? 201 CIT A H42 1 HETATM 4323 NA NA . NA J 4 . ? 16.103 6.417 6.160 1.00 20.37 1 202 NA A NA 1 HETATM 4324 NA NA . NA K 4 . ? -8.779 -9.823 27.939 1.00 25.55 1 201 NA B NA 1 HETATM 4325 NA NA . NA L 4 . ? 32.461 7.486 33.424 0.90 32.17 1 201 NA D NA 1 HETATM 4326 O O . HOH M 5 . ? 24.667 -12.047 23.955 1.00 44.95 ? 301 HOH A O 1 HETATM 4327 O O . HOH M 5 . ? 26.585 2.589 10.475 1.00 45.23 ? 302 HOH A O 1 HETATM 4328 O O . HOH M 5 . ? 31.336 15.617 16.806 1.00 57.89 ? 303 HOH A O 1 HETATM 4329 O O . HOH M 5 . ? 14.778 -12.211 22.114 1.00 39.75 ? 304 HOH A O 1 HETATM 4330 O O . HOH M 5 . ? 4.628 19.232 25.692 1.00 52.74 ? 305 HOH A O 1 HETATM 4331 O O . HOH M 5 . ? 1.183 16.604 17.048 1.00 34.30 ? 306 HOH A O 1 HETATM 4332 O O . HOH M 5 . ? 0.900 -1.013 10.513 1.00 43.03 ? 307 HOH A O 1 HETATM 4333 O O . HOH M 5 . ? 16.748 15.100 28.868 1.00 52.50 ? 308 HOH A O 1 HETATM 4334 O O . HOH M 5 . ? 3.572 1.116 20.667 1.00 33.35 ? 309 HOH A O 1 HETATM 4335 O O . HOH M 5 . ? 27.029 4.525 19.081 1.00 30.77 ? 310 HOH A O 1 HETATM 4336 O O . HOH M 5 . ? 22.211 -1.105 7.895 1.00 39.66 ? 311 HOH A O 1 HETATM 4337 O O . HOH M 5 . ? 13.612 -4.386 18.786 1.00 36.84 ? 312 HOH A O 1 HETATM 4338 O O . HOH M 5 . ? -0.579 6.536 21.185 1.00 44.47 ? 313 HOH A O 1 HETATM 4339 O O . HOH M 5 . ? 21.596 -11.988 23.321 1.00 61.64 ? 314 HOH A O 1 HETATM 4340 O O . HOH M 5 . ? 30.608 3.970 13.386 1.00 49.46 ? 315 HOH A O 1 HETATM 4341 O O . HOH M 5 . ? 20.896 3.063 18.707 1.00 23.36 ? 316 HOH A O 1 HETATM 4342 O O . HOH M 5 . ? 18.801 11.985 0.631 1.00 44.64 ? 317 HOH A O 1 HETATM 4343 O O . HOH M 5 . ? 27.639 1.034 18.497 1.00 44.59 ? 318 HOH A O 1 HETATM 4344 O O . HOH M 5 . ? 7.691 6.291 25.886 1.00 20.82 ? 319 HOH A O 1 HETATM 4345 O O . HOH M 5 . ? 23.488 20.886 15.864 1.00 48.93 ? 320 HOH A O 1 HETATM 4346 O O . HOH M 5 . ? 16.001 11.860 26.924 1.00 36.62 ? 321 HOH A O 1 HETATM 4347 O O . HOH M 5 . ? 19.898 -0.188 7.560 1.00 35.74 ? 322 HOH A O 1 HETATM 4348 O O . HOH M 5 . ? 6.306 3.619 14.404 1.00 15.04 ? 323 HOH A O 1 HETATM 4349 O O . HOH M 5 . ? 1.309 5.831 21.863 1.00 40.37 ? 324 HOH A O 1 HETATM 4350 O O . HOH M 5 . ? 21.271 25.500 18.979 1.00 33.27 ? 325 HOH A O 1 HETATM 4351 O O . HOH M 5 . ? 3.988 -4.095 15.378 1.00 41.56 ? 326 HOH A O 1 HETATM 4352 O O . HOH M 5 . ? 5.148 19.857 9.659 1.00 24.91 ? 327 HOH A O 1 HETATM 4353 O O . HOH M 5 . ? 2.712 8.046 9.937 1.00 15.02 ? 328 HOH A O 1 HETATM 4354 O O . HOH M 5 . ? -0.911 1.325 13.798 1.00 23.00 ? 329 HOH A O 1 HETATM 4355 O O . HOH M 5 . ? 22.923 -3.276 14.738 1.00 32.40 ? 330 HOH A O 1 HETATM 4356 O O . HOH M 5 . ? 16.201 21.209 12.105 1.00 44.56 ? 331 HOH A O 1 HETATM 4357 O O . HOH M 5 . ? 6.564 16.105 4.649 1.00 42.15 ? 332 HOH A O 1 HETATM 4358 O O . HOH M 5 . ? 13.998 -2.765 7.627 1.00 51.72 ? 333 HOH A O 1 HETATM 4359 O O . HOH M 5 . ? 21.461 -11.306 21.032 1.00 50.32 ? 334 HOH A O 1 HETATM 4360 O O . HOH M 5 . ? 27.115 -2.286 25.512 1.00 41.55 ? 335 HOH A O 1 HETATM 4361 O O . HOH M 5 . ? 30.893 8.358 14.891 1.00 60.65 ? 336 HOH A O 1 HETATM 4362 O O . HOH M 5 . ? 13.373 19.626 17.892 1.00 37.08 ? 337 HOH A O 1 HETATM 4363 O O . HOH M 5 . ? 29.518 -8.980 19.391 1.00 21.91 ? 338 HOH A O 1 HETATM 4364 O O . HOH M 5 . ? 2.809 -0.577 8.540 1.00 38.16 ? 339 HOH A O 1 HETATM 4365 O O . HOH M 5 . ? 12.564 -4.600 13.257 1.00 26.29 ? 340 HOH A O 1 HETATM 4366 O O . HOH M 5 . ? 15.270 -1.078 21.064 1.00 21.74 ? 341 HOH A O 1 HETATM 4367 O O . HOH M 5 . ? 13.795 3.964 2.414 1.00 49.04 ? 342 HOH A O 1 HETATM 4368 O O . HOH M 5 . ? 28.107 12.015 18.710 1.00 37.94 ? 343 HOH A O 1 HETATM 4369 O O . HOH M 5 . ? 31.122 -3.409 25.935 1.00 33.72 ? 344 HOH A O 1 HETATM 4370 O O . HOH M 5 . ? 18.135 5.845 22.964 1.00 49.36 ? 345 HOH A O 1 HETATM 4371 O O . HOH M 5 . ? 21.755 18.848 16.472 1.00 43.09 ? 346 HOH A O 1 HETATM 4372 O O . HOH M 5 . ? 12.723 22.612 11.350 1.00 39.70 ? 347 HOH A O 1 HETATM 4373 O O . HOH M 5 . ? 22.579 5.309 4.707 1.00 22.39 ? 348 HOH A O 1 HETATM 4374 O O . HOH M 5 . ? -5.371 11.770 17.892 1.00 37.12 ? 349 HOH A O 1 HETATM 4375 O O . HOH M 5 . ? 3.170 1.258 15.050 1.00 23.17 ? 350 HOH A O 1 HETATM 4376 O O . HOH M 5 . ? 16.366 -5.758 21.833 1.00 35.62 ? 351 HOH A O 1 HETATM 4377 O O . HOH M 5 . ? 2.844 0.735 6.738 1.00 37.14 ? 352 HOH A O 1 HETATM 4378 O O . HOH M 5 . ? 18.036 1.468 1.728 1.00 36.93 ? 353 HOH A O 1 HETATM 4379 O O . HOH M 5 . ? 7.886 19.632 18.723 1.00 28.24 ? 354 HOH A O 1 HETATM 4380 O O . HOH M 5 . ? -4.864 15.066 5.204 1.00 55.87 ? 355 HOH A O 1 HETATM 4381 O O . HOH M 5 . ? 10.783 6.064 0.929 1.00 40.61 ? 356 HOH A O 1 HETATM 4382 O O . HOH M 5 . ? 0.266 16.153 14.623 1.00 22.79 ? 357 HOH A O 1 HETATM 4383 O O . HOH M 5 . ? -2.487 9.166 18.654 1.00 44.87 ? 358 HOH A O 1 HETATM 4384 O O . HOH M 5 . ? 23.572 8.320 22.711 1.00 46.78 ? 359 HOH A O 1 HETATM 4385 O O . HOH M 5 . ? 13.572 15.179 6.969 1.00 32.53 ? 360 HOH A O 1 HETATM 4386 O O . HOH M 5 . ? 1.079 14.602 8.012 1.00 31.16 ? 361 HOH A O 1 HETATM 4387 O O . HOH M 5 . ? 5.022 0.069 2.822 1.00 45.92 ? 362 HOH A O 1 HETATM 4388 O O . HOH M 5 . ? 4.793 6.222 26.218 1.00 37.00 ? 363 HOH A O 1 HETATM 4389 O O . HOH M 5 . ? 24.047 13.915 21.424 1.00 24.97 ? 364 HOH A O 1 HETATM 4390 O O . HOH M 5 . ? 7.410 5.952 3.865 1.00 21.11 ? 365 HOH A O 1 HETATM 4391 O O . HOH M 5 . ? -2.922 4.432 13.292 1.00 26.19 ? 366 HOH A O 1 HETATM 4392 O O . HOH M 5 . ? 21.750 13.333 5.474 1.00 51.54 ? 367 HOH A O 1 HETATM 4393 O O . HOH M 5 . ? 11.881 10.699 2.334 1.00 30.37 ? 368 HOH A O 1 HETATM 4394 O O . HOH M 5 . ? 16.168 27.553 13.962 1.00 41.95 ? 369 HOH A O 1 HETATM 4395 O O . HOH M 5 . ? 4.484 -0.727 4.379 1.00 41.02 ? 370 HOH A O 1 HETATM 4396 O O . HOH M 5 . ? 0.322 10.650 20.553 1.00 22.11 ? 371 HOH A O 1 HETATM 4397 O O . HOH M 5 . ? -3.032 15.580 16.948 1.00 37.15 ? 372 HOH A O 1 HETATM 4398 O O . HOH M 5 . ? -6.743 12.217 10.883 1.00 45.26 ? 373 HOH A O 1 HETATM 4399 O O . HOH M 5 . ? 2.460 8.803 2.894 1.00 24.42 ? 374 HOH A O 1 HETATM 4400 O O . HOH M 5 . ? 13.430 3.174 5.649 1.00 26.86 ? 375 HOH A O 1 HETATM 4401 O O . HOH M 5 . ? -0.790 17.644 21.154 1.00 36.21 ? 376 HOH A O 1 HETATM 4402 O O . HOH M 5 . ? -4.660 6.779 13.303 1.00 36.37 ? 377 HOH A O 1 HETATM 4403 O O . HOH M 5 . ? 7.868 13.492 2.756 1.00 41.38 ? 378 HOH A O 1 HETATM 4404 O O . HOH M 5 . ? 9.676 -4.729 3.848 1.00 49.99 ? 379 HOH A O 1 HETATM 4405 O O . HOH M 5 . ? 29.683 10.191 6.075 1.00 54.63 ? 380 HOH A O 1 HETATM 4406 O O . HOH M 5 . ? 12.567 19.750 15.042 1.00 38.15 ? 381 HOH A O 1 HETATM 4407 O O . HOH M 5 . ? 27.866 0.796 20.124 1.00 49.83 ? 382 HOH A O 1 HETATM 4408 O O . HOH M 5 . ? 9.278 13.560 27.337 1.00 28.92 ? 383 HOH A O 1 HETATM 4409 O O . HOH M 5 . ? 11.347 0.042 4.430 1.00 27.53 ? 384 HOH A O 1 HETATM 4410 O O . HOH M 5 . ? 21.846 -2.437 20.648 1.00 33.46 ? 385 HOH A O 1 HETATM 4411 O O . HOH M 5 . ? 1.974 -0.034 19.944 1.00 55.17 ? 386 HOH A O 1 HETATM 4412 O O . HOH M 5 . ? 0.856 19.989 8.716 1.00 39.68 ? 387 HOH A O 1 HETATM 4413 O O . HOH M 5 . ? 1.515 1.655 3.899 1.00 34.45 ? 388 HOH A O 1 HETATM 4414 O O . HOH M 5 . ? 19.602 7.525 23.733 1.00 42.66 ? 389 HOH A O 1 HETATM 4415 O O . HOH M 5 . ? 25.929 16.844 9.382 1.00 40.64 ? 390 HOH A O 1 HETATM 4416 O O . HOH M 5 . ? 16.945 -3.256 19.337 1.00 44.63 ? 391 HOH A O 1 HETATM 4417 O O . HOH M 5 . ? 22.620 13.755 24.708 1.00 25.40 ? 392 HOH A O 1 HETATM 4418 O O . HOH M 5 . ? 26.535 -2.897 20.308 1.00 36.40 ? 393 HOH A O 1 HETATM 4419 O O . HOH M 5 . ? -5.203 11.566 8.934 1.00 47.50 ? 394 HOH A O 1 HETATM 4420 O O . HOH M 5 . ? 19.093 0.278 22.795 1.00 43.93 ? 395 HOH A O 1 HETATM 4421 O O . HOH M 5 . ? 20.995 -4.918 15.064 1.00 45.03 ? 396 HOH A O 1 HETATM 4422 O O . HOH M 5 . ? -6.555 9.205 10.216 1.00 50.50 ? 397 HOH A O 1 HETATM 4423 O O . HOH M 5 . ? 2.502 -4.395 8.110 1.00 39.82 ? 398 HOH A O 1 HETATM 4424 O O . HOH M 5 . ? 16.256 -4.264 17.651 1.00 43.46 ? 399 HOH A O 1 HETATM 4425 O O . HOH M 5 . ? 28.669 17.618 12.256 1.00 53.78 ? 400 HOH A O 1 HETATM 4426 O O . HOH M 5 . ? 17.658 -4.438 13.051 1.00 44.78 ? 401 HOH A O 1 HETATM 4427 O O . HOH M 5 . ? 20.087 -5.789 16.730 1.00 50.07 ? 402 HOH A O 1 HETATM 4428 O O . HOH M 5 . ? 32.889 6.147 11.305 1.00 44.23 ? 403 HOH A O 1 HETATM 4429 O O . HOH M 5 . ? 8.782 17.058 4.849 1.00 40.16 ? 404 HOH A O 1 HETATM 4430 O O . HOH M 5 . ? 26.247 -10.120 16.310 1.00 40.99 ? 405 HOH A O 1 HETATM 4431 O O . HOH M 5 . ? -7.014 9.763 15.691 1.00 57.29 ? 406 HOH A O 1 HETATM 4432 O O . HOH M 5 . ? -3.615 19.377 13.948 1.00 44.15 ? 407 HOH A O 1 HETATM 4433 O O . HOH M 5 . ? 13.968 20.194 21.894 1.00 44.88 ? 408 HOH A O 1 HETATM 4434 O O . HOH M 5 . ? -1.350 2.559 27.151 1.00 51.12 ? 409 HOH A O 1 HETATM 4435 O O . HOH M 5 . ? 1.106 -0.634 13.344 1.00 29.29 ? 410 HOH A O 1 HETATM 4436 O O . HOH M 5 . ? 29.905 0.218 12.127 1.00 48.67 ? 411 HOH A O 1 HETATM 4437 O O . HOH M 5 . ? -1.909 18.021 14.316 1.00 34.82 ? 412 HOH A O 1 HETATM 4438 O O . HOH M 5 . ? 22.353 11.388 25.043 1.00 42.00 ? 413 HOH A O 1 HETATM 4439 O O . HOH M 5 . ? 18.273 20.984 5.865 1.00 51.09 ? 414 HOH A O 1 HETATM 4440 O O . HOH M 5 . ? -5.713 7.496 15.281 1.00 46.91 ? 415 HOH A O 1 HETATM 4441 O O . HOH M 5 . ? 24.552 13.494 6.728 1.00 58.70 ? 416 HOH A O 1 HETATM 4442 O O . HOH M 5 . ? -4.704 16.592 24.746 1.00 63.80 ? 417 HOH A O 1 HETATM 4443 O O . HOH M 5 . ? 2.652 15.886 6.767 1.00 59.79 ? 418 HOH A O 1 HETATM 4444 O O . HOH M 5 . ? 22.696 -13.951 24.712 1.00 43.30 ? 419 HOH A O 1 HETATM 4445 O O . HOH M 5 . ? 2.844 -2.007 15.930 1.00 37.79 ? 420 HOH A O 1 HETATM 4446 O O . HOH M 5 . ? 6.838 -7.404 6.254 1.00 57.97 ? 421 HOH A O 1 HETATM 4447 O O . HOH M 5 . ? -5.042 23.731 12.406 1.00 36.81 ? 422 HOH A O 1 HETATM 4448 O O . HOH M 5 . ? 15.300 16.731 31.094 1.00 46.28 ? 423 HOH A O 1 HETATM 4449 O O . HOH M 5 . ? 9.578 4.694 2.861 1.00 37.45 ? 424 HOH A O 1 HETATM 4450 O O . HOH M 5 . ? 15.039 1.138 0.669 1.00 61.60 ? 425 HOH A O 1 HETATM 4451 O O . HOH M 5 . ? 15.581 21.561 21.309 1.00 48.39 ? 426 HOH A O 1 HETATM 4452 O O . HOH M 5 . ? 23.619 5.945 0.705 1.00 57.24 ? 427 HOH A O 1 HETATM 4453 O O . HOH M 5 . ? 8.970 19.034 7.629 1.00 36.97 ? 428 HOH A O 1 HETATM 4454 O O . HOH M 5 . ? -2.620 25.306 12.631 1.00 45.19 ? 429 HOH A O 1 HETATM 4455 O O . HOH M 5 . ? 17.248 27.793 11.555 1.00 56.82 ? 430 HOH A O 1 HETATM 4456 O O . HOH M 5 . ? 25.238 9.497 21.399 1.00 65.78 ? 431 HOH A O 1 HETATM 4457 O O . HOH M 5 . ? 30.827 8.274 16.592 1.00 55.87 ? 432 HOH A O 1 HETATM 4458 O O . HOH M 5 . ? -5.769 18.086 18.135 1.00 55.12 ? 433 HOH A O 1 HETATM 4459 O O . HOH M 5 . ? 22.636 -7.565 22.939 1.00 44.42 ? 434 HOH A O 1 HETATM 4460 O O . HOH M 5 . ? 20.432 -4.539 19.995 1.00 43.16 ? 435 HOH A O 1 HETATM 4461 O O . HOH M 5 . ? 11.460 22.107 19.122 1.00 56.01 ? 436 HOH A O 1 HETATM 4462 O O . HOH M 5 . ? 4.188 7.593 0.916 1.00 36.00 ? 437 HOH A O 1 HETATM 4463 O O . HOH M 5 . ? 13.874 22.252 18.264 1.00 38.76 ? 438 HOH A O 1 HETATM 4464 O O . HOH M 5 . ? 16.601 5.325 24.337 1.00 49.94 ? 439 HOH A O 1 HETATM 4465 O O . HOH M 5 . ? 15.365 -12.826 19.327 1.00 56.66 ? 440 HOH A O 1 HETATM 4466 O O . HOH M 5 . ? 19.878 9.415 24.816 1.00 46.06 ? 441 HOH A O 1 HETATM 4467 O O . HOH M 5 . ? 24.732 15.956 19.645 1.00 37.07 ? 442 HOH A O 1 HETATM 4468 O O . HOH M 5 . ? 10.183 17.495 24.763 1.00 48.29 ? 443 HOH A O 1 HETATM 4469 O O . HOH M 5 . ? 10.555 17.761 6.223 1.00 55.80 ? 444 HOH A O 1 HETATM 4470 O O . HOH M 5 . ? 22.657 14.597 27.431 1.00 41.93 ? 445 HOH A O 1 HETATM 4471 O O . HOH M 5 . ? 14.898 13.242 -0.348 1.00 61.78 ? 446 HOH A O 1 HETATM 4472 O O . HOH M 5 . ? 19.436 2.742 -1.120 1.00 58.15 ? 447 HOH A O 1 HETATM 4473 O O . HOH M 5 . ? 2.023 2.211 21.641 1.00 43.17 ? 448 HOH A O 1 HETATM 4474 O O . HOH M 5 . ? 11.568 2.545 3.285 1.00 38.32 ? 449 HOH A O 1 HETATM 4475 O O . HOH M 5 . ? 16.977 -0.932 23.123 1.00 37.01 ? 450 HOH A O 1 HETATM 4476 O O . HOH M 5 . ? -4.093 3.530 15.718 1.00 46.68 ? 451 HOH A O 1 HETATM 4477 O O . HOH M 5 . ? 15.117 -1.091 2.002 1.00 47.19 ? 452 HOH A O 1 HETATM 4478 O O . HOH M 5 . ? 6.545 22.184 9.172 1.00 46.04 ? 453 HOH A O 1 HETATM 4479 O O . HOH M 5 . ? 18.222 -10.200 14.861 1.00 61.68 ? 454 HOH A O 1 HETATM 4480 O O . HOH M 5 . ? 23.684 26.155 15.082 1.00 53.74 ? 455 HOH A O 1 HETATM 4481 O O . HOH M 5 . ? 6.556 3.192 0.888 1.00 57.34 ? 456 HOH A O 1 HETATM 4482 O O . HOH M 5 . ? 6.916 6.861 1.273 1.00 44.97 ? 457 HOH A O 1 HETATM 4483 O O . HOH M 5 . ? 24.975 11.312 21.475 1.00 50.22 ? 458 HOH A O 1 HETATM 4484 O O . HOH M 5 . ? 13.970 -6.692 12.153 1.00 39.65 ? 459 HOH A O 1 HETATM 4485 O O . HOH M 5 . ? 16.152 -6.623 14.150 1.00 48.02 ? 460 HOH A O 1 HETATM 4486 O O . HOH M 5 . ? 8.582 8.428 0.825 1.00 41.85 ? 461 HOH A O 1 HETATM 4487 O O . HOH M 5 . ? 28.203 19.515 12.661 1.00 53.08 ? 462 HOH A O 1 HETATM 4488 O O . HOH M 5 . ? 24.328 -3.014 21.584 1.00 48.42 ? 463 HOH A O 1 HETATM 4489 O O . HOH M 5 . ? 4.489 -7.934 9.084 1.00 39.16 ? 464 HOH A O 1 HETATM 4490 O O . HOH M 5 . ? 9.800 18.384 27.079 1.00 55.98 ? 465 HOH A O 1 HETATM 4491 O O . HOH M 5 . ? 3.750 5.866 -1.091 1.00 44.98 ? 466 HOH A O 1 HETATM 4492 O O . HOH M 5 . ? 10.993 22.706 9.107 1.00 44.40 ? 467 HOH A O 1 HETATM 4493 O O . HOH M 5 . ? -6.395 11.082 20.387 1.00 51.26 ? 468 HOH A O 1 HETATM 4494 O O . HOH M 5 . ? 25.807 21.895 14.838 1.00 52.46 ? 469 HOH A O 1 HETATM 4495 O O . HOH M 5 . ? 8.813 3.122 0.913 1.00 49.48 ? 470 HOH A O 1 HETATM 4496 O O . HOH M 5 . ? 20.886 -6.410 22.205 1.00 51.09 ? 471 HOH A O 1 HETATM 4497 O O . HOH M 5 . ? 6.090 22.877 28.887 1.00 57.88 ? 472 HOH A O 1 HETATM 4498 O O . HOH M 5 . ? 26.906 11.927 24.053 1.00 49.06 ? 473 HOH A O 1 HETATM 4499 O O . HOH N 5 . ? -11.403 -17.290 31.711 1.00 47.37 ? 301 HOH B O 1 HETATM 4500 O O . HOH N 5 . ? -10.103 -12.561 11.656 1.00 43.79 ? 302 HOH B O 1 HETATM 4501 O O . HOH N 5 . ? -18.403 -9.388 30.414 1.00 62.72 ? 303 HOH B O 1 HETATM 4502 O O . HOH N 5 . ? 4.873 -23.828 15.758 1.00 43.67 ? 304 HOH B O 1 HETATM 4503 O O . HOH N 5 . ? 3.161 -23.725 19.949 1.00 35.51 ? 305 HOH B O 1 HETATM 4504 O O . HOH N 5 . ? 0.801 0.490 23.434 1.00 29.48 ? 306 HOH B O 1 HETATM 4505 O O . HOH N 5 . ? -4.784 0.725 32.659 1.00 62.17 ? 307 HOH B O 1 HETATM 4506 O O . HOH N 5 . ? 1.740 -24.960 12.548 1.00 46.05 ? 308 HOH B O 1 HETATM 4507 O O . HOH N 5 . ? 7.305 7.208 31.022 1.00 45.64 ? 309 HOH B O 1 HETATM 4508 O O . HOH N 5 . ? -5.827 -30.653 29.075 1.00 32.61 ? 310 HOH B O 1 HETATM 4509 O O . HOH N 5 . ? 4.071 -23.199 21.915 1.00 31.35 ? 311 HOH B O 1 HETATM 4510 O O . HOH N 5 . ? -11.782 -13.266 34.276 1.00 48.77 ? 312 HOH B O 1 HETATM 4511 O O . HOH N 5 . ? -9.105 1.885 21.922 1.00 43.99 ? 313 HOH B O 1 HETATM 4512 O O . HOH N 5 . ? -4.584 -5.696 8.750 1.00 48.56 ? 314 HOH B O 1 HETATM 4513 O O . HOH N 5 . ? -6.439 -26.723 34.672 1.00 49.65 ? 315 HOH B O 1 HETATM 4514 O O . HOH N 5 . ? 0.923 -27.248 28.003 1.00 22.44 ? 316 HOH B O 1 HETATM 4515 O O . HOH N 5 . ? 0.525 -7.532 19.187 1.00 18.21 ? 317 HOH B O 1 HETATM 4516 O O . HOH N 5 . ? -10.573 -19.182 17.536 1.00 48.91 ? 318 HOH B O 1 HETATM 4517 O O . HOH N 5 . ? -10.768 -9.164 34.184 1.00 36.04 ? 319 HOH B O 1 HETATM 4518 O O . HOH N 5 . ? -5.568 -4.605 36.436 1.00 44.26 ? 320 HOH B O 1 HETATM 4519 O O . HOH N 5 . ? 12.215 1.852 29.851 1.00 55.33 ? 321 HOH B O 1 HETATM 4520 O O . HOH N 5 . ? 11.700 -11.045 21.279 1.00 22.39 ? 322 HOH B O 1 HETATM 4521 O O . HOH N 5 . ? -5.396 -22.996 16.521 1.00 31.26 ? 323 HOH B O 1 HETATM 4522 O O . HOH N 5 . ? -3.178 0.461 15.380 1.00 48.94 ? 324 HOH B O 1 HETATM 4523 O O . HOH N 5 . ? 3.507 -7.980 34.080 1.00 24.06 ? 325 HOH B O 1 HETATM 4524 O O . HOH N 5 . ? 1.649 -5.022 16.411 1.00 25.24 ? 326 HOH B O 1 HETATM 4525 O O . HOH N 5 . ? 0.684 -4.715 12.243 1.00 22.63 ? 327 HOH B O 1 HETATM 4526 O O . HOH N 5 . ? 7.974 -13.168 33.395 1.00 19.81 ? 328 HOH B O 1 HETATM 4527 O O . HOH N 5 . ? -6.512 -4.267 14.998 1.00 25.37 ? 329 HOH B O 1 HETATM 4528 O O . HOH N 5 . ? -15.093 -15.505 29.840 1.00 56.47 ? 330 HOH B O 1 HETATM 4529 O O . HOH N 5 . ? 3.040 -6.039 41.139 1.00 47.28 ? 331 HOH B O 1 HETATM 4530 O O . HOH N 5 . ? -3.959 -11.370 14.955 1.00 18.16 ? 332 HOH B O 1 HETATM 4531 O O . HOH N 5 . ? -6.128 -17.632 12.881 1.00 37.42 ? 333 HOH B O 1 HETATM 4532 O O . HOH N 5 . ? -0.496 -24.314 24.581 1.00 30.70 ? 334 HOH B O 1 HETATM 4533 O O . HOH N 5 . ? 2.465 -9.882 40.219 1.00 39.97 ? 335 HOH B O 1 HETATM 4534 O O . HOH N 5 . ? 13.029 -21.178 33.447 1.00 37.24 ? 336 HOH B O 1 HETATM 4535 O O . HOH N 5 . ? 0.711 -19.351 12.745 1.00 26.34 ? 337 HOH B O 1 HETATM 4536 O O . HOH N 5 . ? 2.052 -16.853 42.197 1.00 43.53 ? 338 HOH B O 1 HETATM 4537 O O . HOH N 5 . ? -12.402 -13.981 23.606 1.00 41.89 ? 339 HOH B O 1 HETATM 4538 O O . HOH N 5 . ? -0.747 0.602 25.811 1.00 32.81 ? 340 HOH B O 1 HETATM 4539 O O . HOH N 5 . ? -4.630 -2.924 15.263 1.00 38.47 ? 341 HOH B O 1 HETATM 4540 O O . HOH N 5 . ? 6.832 -3.970 28.869 1.00 26.42 ? 342 HOH B O 1 HETATM 4541 O O . HOH N 5 . ? -5.233 1.206 15.658 1.00 48.80 ? 343 HOH B O 1 HETATM 4542 O O . HOH N 5 . ? -7.523 -3.503 32.168 1.00 43.35 ? 344 HOH B O 1 HETATM 4543 O O . HOH N 5 . ? 5.119 -2.467 35.900 1.00 39.66 ? 345 HOH B O 1 HETATM 4544 O O . HOH N 5 . ? -13.349 -5.311 29.505 1.00 46.62 ? 346 HOH B O 1 HETATM 4545 O O . HOH N 5 . ? 13.655 2.794 28.658 1.00 56.98 ? 347 HOH B O 1 HETATM 4546 O O . HOH N 5 . ? 12.736 -14.116 18.967 1.00 48.57 ? 348 HOH B O 1 HETATM 4547 O O . HOH N 5 . ? 14.199 -18.701 30.276 1.00 36.13 ? 349 HOH B O 1 HETATM 4548 O O . HOH N 5 . ? 6.987 -14.378 13.587 1.00 30.53 ? 350 HOH B O 1 HETATM 4549 O O . HOH N 5 . ? -10.932 -11.686 14.177 1.00 29.28 ? 351 HOH B O 1 HETATM 4550 O O . HOH N 5 . ? 0.261 -0.510 21.530 1.00 29.10 ? 352 HOH B O 1 HETATM 4551 O O . HOH N 5 . ? -3.150 -25.977 28.147 1.00 32.98 ? 353 HOH B O 1 HETATM 4552 O O . HOH N 5 . ? 0.576 -24.580 20.236 1.00 29.81 ? 354 HOH B O 1 HETATM 4553 O O . HOH N 5 . ? -4.378 -26.642 24.240 1.00 35.60 ? 355 HOH B O 1 HETATM 4554 O O . HOH N 5 . ? -8.766 -6.859 25.538 1.00 26.15 ? 356 HOH B O 1 HETATM 4555 O O . HOH N 5 . ? -12.105 -13.944 15.069 1.00 34.76 ? 357 HOH B O 1 HETATM 4556 O O . HOH N 5 . ? 12.202 -6.113 16.038 1.00 32.70 ? 358 HOH B O 1 HETATM 4557 O O . HOH N 5 . ? 5.091 -0.158 27.757 1.00 37.51 ? 359 HOH B O 1 HETATM 4558 O O . HOH N 5 . ? -6.903 -19.046 14.868 1.00 39.24 ? 360 HOH B O 1 HETATM 4559 O O . HOH N 5 . ? -6.272 -1.830 33.007 1.00 48.61 ? 361 HOH B O 1 HETATM 4560 O O . HOH N 5 . ? 8.470 0.488 30.420 1.00 35.91 ? 362 HOH B O 1 HETATM 4561 O O . HOH N 5 . ? -0.592 -26.075 35.422 1.00 32.78 ? 363 HOH B O 1 HETATM 4562 O O . HOH N 5 . ? 0.039 -7.652 9.914 1.00 36.62 ? 364 HOH B O 1 HETATM 4563 O O . HOH N 5 . ? -11.029 -16.177 27.755 1.00 45.73 ? 365 HOH B O 1 HETATM 4564 O O . HOH N 5 . ? -1.352 -0.068 31.051 1.00 43.76 ? 366 HOH B O 1 HETATM 4565 O O . HOH N 5 . ? -0.008 -9.793 8.153 1.00 42.67 ? 367 HOH B O 1 HETATM 4566 O O . HOH N 5 . ? 2.069 0.354 17.412 1.00 31.15 ? 368 HOH B O 1 HETATM 4567 O O . HOH N 5 . ? -1.966 1.569 21.991 1.00 28.01 ? 369 HOH B O 1 HETATM 4568 O O . HOH N 5 . ? -0.072 -22.275 3.841 1.00 40.06 ? 370 HOH B O 1 HETATM 4569 O O . HOH N 5 . ? 0.182 1.559 20.386 1.00 28.94 ? 371 HOH B O 1 HETATM 4570 O O . HOH N 5 . ? 2.904 0.039 29.735 1.00 46.21 ? 372 HOH B O 1 HETATM 4571 O O . HOH N 5 . ? -11.140 -3.083 29.329 1.00 49.12 ? 373 HOH B O 1 HETATM 4572 O O . HOH N 5 . ? -12.513 -8.041 33.391 1.00 46.97 ? 374 HOH B O 1 HETATM 4573 O O . HOH N 5 . ? -5.615 -23.222 11.654 1.00 42.03 ? 375 HOH B O 1 HETATM 4574 O O . HOH N 5 . ? -2.126 -26.830 34.429 1.00 46.20 ? 376 HOH B O 1 HETATM 4575 O O . HOH N 5 . ? 12.616 -18.682 23.193 1.00 37.13 ? 377 HOH B O 1 HETATM 4576 O O . HOH N 5 . ? -9.333 -3.140 23.287 1.00 31.86 ? 378 HOH B O 1 HETATM 4577 O O . HOH N 5 . ? 7.708 -22.802 38.484 1.00 37.16 ? 379 HOH B O 1 HETATM 4578 O O . HOH N 5 . ? 5.271 -18.275 37.431 1.00 29.39 ? 380 HOH B O 1 HETATM 4579 O O . HOH N 5 . ? 14.023 1.647 36.853 1.00 36.71 ? 381 HOH B O 1 HETATM 4580 O O . HOH N 5 . ? -2.446 -22.139 4.317 1.00 51.55 ? 382 HOH B O 1 HETATM 4581 O O . HOH N 5 . ? 15.814 5.840 26.156 1.00 53.02 ? 383 HOH B O 1 HETATM 4582 O O . HOH N 5 . ? 4.311 -16.105 38.787 1.00 39.69 ? 384 HOH B O 1 HETATM 4583 O O . HOH N 5 . ? -3.728 -22.549 6.189 1.00 50.54 ? 385 HOH B O 1 HETATM 4584 O O . HOH N 5 . ? 14.320 -12.669 17.421 1.00 47.87 ? 386 HOH B O 1 HETATM 4585 O O . HOH N 5 . ? 4.733 -1.300 39.334 1.00 49.72 ? 387 HOH B O 1 HETATM 4586 O O . HOH N 5 . ? -1.166 -16.457 4.424 1.00 60.41 ? 388 HOH B O 1 HETATM 4587 O O . HOH N 5 . ? -2.071 -22.082 40.928 1.00 49.57 ? 389 HOH B O 1 HETATM 4588 O O . HOH N 5 . ? 13.782 -17.748 25.180 1.00 46.77 ? 390 HOH B O 1 HETATM 4589 O O . HOH N 5 . ? 4.102 -3.857 41.176 1.00 44.16 ? 391 HOH B O 1 HETATM 4590 O O . HOH N 5 . ? 4.330 -27.946 20.715 1.00 44.80 ? 392 HOH B O 1 HETATM 4591 O O . HOH N 5 . ? -11.774 -1.990 21.331 1.00 49.57 ? 393 HOH B O 1 HETATM 4592 O O . HOH N 5 . ? -4.027 -20.564 5.963 1.00 51.86 ? 394 HOH B O 1 HETATM 4593 O O . HOH N 5 . ? -9.134 -20.655 22.212 1.00 46.80 ? 395 HOH B O 1 HETATM 4594 O O . HOH N 5 . ? -1.212 -27.125 26.416 1.00 31.48 ? 396 HOH B O 1 HETATM 4595 O O . HOH N 5 . ? 9.317 -25.065 37.407 1.00 46.32 ? 397 HOH B O 1 HETATM 4596 O O . HOH N 5 . ? 9.233 -22.185 23.475 1.00 32.32 ? 398 HOH B O 1 HETATM 4597 O O . HOH N 5 . ? -4.553 4.540 20.288 1.00 47.08 ? 399 HOH B O 1 HETATM 4598 O O . HOH N 5 . ? 15.109 -23.099 28.040 1.00 54.50 ? 400 HOH B O 1 HETATM 4599 O O . HOH N 5 . ? -4.248 -26.854 8.164 1.00 48.83 ? 401 HOH B O 1 HETATM 4600 O O . HOH N 5 . ? -2.034 3.366 22.124 1.00 41.08 ? 402 HOH B O 1 HETATM 4601 O O . HOH N 5 . ? -9.452 -11.271 37.829 1.00 60.78 ? 403 HOH B O 1 HETATM 4602 O O . HOH N 5 . ? -9.452 -17.120 11.995 1.00 44.57 ? 404 HOH B O 1 HETATM 4603 O O . HOH N 5 . ? 11.719 -0.569 30.644 1.00 49.68 ? 405 HOH B O 1 HETATM 4604 O O . HOH N 5 . ? 2.437 -6.627 9.241 1.00 46.71 ? 406 HOH B O 1 HETATM 4605 O O . HOH N 5 . ? -7.154 -22.747 14.216 1.00 46.96 ? 407 HOH B O 1 HETATM 4606 O O . HOH N 5 . ? -3.311 -29.136 35.189 1.00 38.20 ? 408 HOH B O 1 HETATM 4607 O O . HOH N 5 . ? 2.949 -0.861 43.420 1.00 50.23 ? 409 HOH B O 1 HETATM 4608 O O . HOH N 5 . ? -5.903 -28.697 27.255 1.00 52.68 ? 410 HOH B O 1 HETATM 4609 O O . HOH N 5 . ? -0.110 2.459 22.167 1.00 40.55 ? 411 HOH B O 1 HETATM 4610 O O . HOH N 5 . ? 3.633 -20.536 38.250 1.00 36.40 ? 412 HOH B O 1 HETATM 4611 O O . HOH N 5 . ? 5.820 -25.548 36.487 1.00 45.81 ? 413 HOH B O 1 HETATM 4612 O O . HOH N 5 . ? 4.594 -7.580 42.694 1.00 37.85 ? 414 HOH B O 1 HETATM 4613 O O . HOH N 5 . ? 2.195 -19.930 41.074 1.00 40.81 ? 415 HOH B O 1 HETATM 4614 O O . HOH N 5 . ? -1.654 -5.897 9.023 1.00 38.98 ? 416 HOH B O 1 HETATM 4615 O O . HOH N 5 . ? 9.296 15.833 28.555 1.00 48.05 ? 417 HOH B O 1 HETATM 4616 O O . HOH N 5 . ? 4.842 -24.935 9.626 1.00 54.87 ? 418 HOH B O 1 HETATM 4617 O O . HOH N 5 . ? -16.692 -16.282 25.428 1.00 59.64 ? 419 HOH B O 1 HETATM 4618 O O . HOH N 5 . ? -4.309 -17.268 5.132 1.00 51.69 ? 420 HOH B O 1 HETATM 4619 O O . HOH N 5 . ? -3.957 4.785 17.578 1.00 38.81 ? 421 HOH B O 1 HETATM 4620 O O . HOH N 5 . ? 14.257 -28.825 16.531 1.00 63.83 ? 422 HOH B O 1 HETATM 4621 O O . HOH N 5 . ? 11.561 -31.293 17.200 1.00 54.88 ? 423 HOH B O 1 HETATM 4622 O O . HOH N 5 . ? 1.198 -23.584 43.030 1.00 55.18 ? 424 HOH B O 1 HETATM 4623 O O . HOH O 5 . ? 3.427 29.738 27.468 1.00 36.71 ? 101 HOH E O 1 HETATM 4624 O O . HOH O 5 . ? 15.176 21.833 25.272 1.00 32.16 ? 102 HOH E O 1 HETATM 4625 O O . HOH O 5 . ? -12.582 19.291 19.782 1.00 42.66 ? 103 HOH E O 1 HETATM 4626 O O . HOH O 5 . ? -15.588 17.181 28.196 1.00 47.41 ? 104 HOH E O 1 HETATM 4627 O O . HOH O 5 . ? -10.247 24.432 16.815 1.00 39.80 ? 105 HOH E O 1 HETATM 4628 O O . HOH O 5 . ? 5.964 33.594 29.183 1.00 44.00 ? 106 HOH E O 1 HETATM 4629 O O . HOH O 5 . ? 16.935 19.285 29.814 1.00 42.46 ? 107 HOH E O 1 HETATM 4630 O O . HOH O 5 . ? -17.473 19.416 29.141 1.00 31.59 ? 108 HOH E O 1 HETATM 4631 O O . HOH O 5 . ? 16.922 26.316 20.381 1.00 37.51 ? 109 HOH E O 1 HETATM 4632 O O . HOH O 5 . ? 9.332 25.127 24.882 1.00 42.12 ? 110 HOH E O 1 HETATM 4633 O O . HOH O 5 . ? 20.395 17.734 27.386 1.00 36.91 ? 111 HOH E O 1 HETATM 4634 O O . HOH O 5 . ? 0.894 29.933 16.929 1.00 32.20 ? 112 HOH E O 1 HETATM 4635 O O . HOH O 5 . ? -11.519 24.065 27.607 1.00 33.93 ? 113 HOH E O 1 HETATM 4636 O O . HOH O 5 . ? 19.174 28.061 19.444 1.00 31.54 ? 114 HOH E O 1 HETATM 4637 O O . HOH O 5 . ? 23.673 22.256 20.327 1.00 37.46 ? 115 HOH E O 1 HETATM 4638 O O . HOH O 5 . ? 7.185 35.050 20.685 1.00 34.84 ? 116 HOH E O 1 HETATM 4639 O O . HOH O 5 . ? 11.593 33.550 34.095 1.00 53.89 ? 117 HOH E O 1 HETATM 4640 O O . HOH O 5 . ? -10.075 28.083 18.057 1.00 37.15 ? 118 HOH E O 1 HETATM 4641 O O . HOH O 5 . ? 20.091 26.336 28.997 1.00 30.72 ? 119 HOH E O 1 HETATM 4642 O O . HOH O 5 . ? -6.910 23.172 24.711 1.00 38.10 ? 120 HOH E O 1 HETATM 4643 O O . HOH O 5 . ? 13.290 24.612 21.941 1.00 25.54 ? 121 HOH E O 1 HETATM 4644 O O . HOH O 5 . ? 16.535 24.199 21.577 1.00 28.75 ? 122 HOH E O 1 HETATM 4645 O O . HOH O 5 . ? -0.837 33.161 25.350 1.00 41.63 ? 123 HOH E O 1 HETATM 4646 O O . HOH O 5 . ? -13.757 18.013 21.591 1.00 37.20 ? 124 HOH E O 1 HETATM 4647 O O . HOH O 5 . ? -9.449 29.184 15.867 1.00 54.11 ? 125 HOH E O 1 HETATM 4648 O O . HOH O 5 . ? -4.112 23.986 21.303 1.00 30.70 ? 126 HOH E O 1 HETATM 4649 O O . HOH O 5 . ? -1.246 28.017 17.442 1.00 35.88 ? 127 HOH E O 1 HETATM 4650 O O . HOH O 5 . ? -7.215 32.280 20.177 1.00 28.92 ? 128 HOH E O 1 HETATM 4651 O O . HOH O 5 . ? 11.880 24.715 29.112 1.00 32.70 ? 129 HOH E O 1 HETATM 4652 O O . HOH O 5 . ? -17.571 23.552 31.262 1.00 41.16 ? 130 HOH E O 1 HETATM 4653 O O . HOH O 5 . ? -14.837 27.158 29.358 1.00 44.03 ? 131 HOH E O 1 HETATM 4654 O O . HOH O 5 . ? 14.252 20.475 29.494 1.00 53.33 ? 132 HOH E O 1 HETATM 4655 O O . HOH O 5 . ? 8.653 28.742 30.324 1.00 51.34 ? 133 HOH E O 1 HETATM 4656 O O . HOH O 5 . ? -5.097 22.068 22.732 1.00 32.10 ? 134 HOH E O 1 HETATM 4657 O O . HOH O 5 . ? 18.409 28.207 29.372 1.00 34.12 ? 135 HOH E O 1 HETATM 4658 O O . HOH O 5 . ? -15.969 25.105 19.509 1.00 41.49 ? 136 HOH E O 1 HETATM 4659 O O . HOH O 5 . ? 6.176 27.907 27.676 1.00 35.17 ? 137 HOH E O 1 HETATM 4660 O O . HOH O 5 . ? -11.487 17.923 27.754 1.00 50.17 ? 138 HOH E O 1 HETATM 4661 O O . HOH O 5 . ? -10.357 30.122 19.416 1.00 30.80 ? 139 HOH E O 1 HETATM 4662 O O . HOH O 5 . ? 3.475 36.270 27.695 1.00 48.60 ? 140 HOH E O 1 HETATM 4663 O O . HOH O 5 . ? -13.121 27.894 18.244 1.00 32.68 ? 141 HOH E O 1 HETATM 4664 O O . HOH O 5 . ? -17.036 27.525 29.290 1.00 57.24 ? 142 HOH E O 1 HETATM 4665 O O . HOH O 5 . ? 13.054 21.537 27.905 1.00 47.21 ? 143 HOH E O 1 HETATM 4666 O O . HOH O 5 . ? -9.010 26.965 12.782 1.00 52.77 ? 144 HOH E O 1 HETATM 4667 O O . HOH O 5 . ? 1.828 31.905 14.599 1.00 53.04 ? 145 HOH E O 1 HETATM 4668 O O . HOH O 5 . ? 5.353 35.471 18.199 1.00 48.94 ? 146 HOH E O 1 HETATM 4669 O O . HOH O 5 . ? -12.806 21.823 19.829 1.00 27.49 ? 147 HOH E O 1 HETATM 4670 O O . HOH O 5 . ? 14.020 22.197 22.860 1.00 59.72 ? 148 HOH E O 1 HETATM 4671 O O . HOH O 5 . ? -11.669 23.865 12.966 1.00 47.46 ? 149 HOH E O 1 HETATM 4672 O O . HOH O 5 . ? -10.515 13.886 21.988 1.00 55.33 ? 150 HOH E O 1 HETATM 4673 O O . HOH O 5 . ? -12.105 23.181 17.784 1.00 47.54 ? 151 HOH E O 1 HETATM 4674 O O . HOH O 5 . ? -7.920 19.549 11.908 1.00 50.60 ? 152 HOH E O 1 HETATM 4675 O O . HOH O 5 . ? 9.515 25.173 30.363 1.00 52.86 ? 153 HOH E O 1 HETATM 4676 O O . HOH O 5 . ? -14.126 25.244 17.697 1.00 38.89 ? 154 HOH E O 1 HETATM 4677 O O . HOH O 5 . ? -15.894 21.240 33.188 1.00 48.52 ? 155 HOH E O 1 HETATM 4678 O O . HOH O 5 . ? 0.197 29.409 12.903 1.00 55.78 ? 156 HOH E O 1 HETATM 4679 O O . HOH O 5 . ? 6.307 27.822 33.367 1.00 50.82 ? 157 HOH E O 1 HETATM 4680 O O . HOH O 5 . ? -7.852 20.300 10.107 1.00 51.25 ? 158 HOH E O 1 HETATM 4681 O O . HOH O 5 . ? 8.087 33.675 37.825 1.00 66.31 ? 159 HOH E O 1 HETATM 4682 O O . HOH P 5 . ? 1.518 21.733 25.844 1.00 44.60 ? 101 HOH F O 1 HETATM 4683 O O . HOH P 5 . ? 8.418 20.444 16.034 1.00 22.18 ? 102 HOH F O 1 HETATM 4684 O O . HOH P 5 . ? -13.544 37.855 31.456 1.00 30.28 ? 103 HOH F O 1 HETATM 4685 O O . HOH P 5 . ? -1.233 30.637 27.944 1.00 44.58 ? 104 HOH F O 1 HETATM 4686 O O . HOH P 5 . ? -8.246 35.420 33.514 1.00 39.30 ? 105 HOH F O 1 HETATM 4687 O O . HOH P 5 . ? -12.553 35.457 35.283 1.00 45.44 ? 106 HOH F O 1 HETATM 4688 O O . HOH P 5 . ? -9.400 25.310 28.604 1.00 36.54 ? 107 HOH F O 1 HETATM 4689 O O . HOH P 5 . ? -16.092 33.306 19.606 1.00 42.08 ? 108 HOH F O 1 HETATM 4690 O O . HOH P 5 . ? 12.092 26.042 18.890 1.00 48.60 ? 109 HOH F O 1 HETATM 4691 O O . HOH P 5 . ? -2.413 16.437 24.587 1.00 38.42 ? 110 HOH F O 1 HETATM 4692 O O . HOH P 5 . ? -11.734 40.072 28.394 1.00 21.63 ? 111 HOH F O 1 HETATM 4693 O O . HOH P 5 . ? -17.297 38.687 29.431 1.00 30.05 ? 112 HOH F O 1 HETATM 4694 O O . HOH P 5 . ? 14.481 33.036 26.777 1.00 28.16 ? 113 HOH F O 1 HETATM 4695 O O . HOH P 5 . ? 15.101 29.553 17.450 1.00 33.52 ? 114 HOH F O 1 HETATM 4696 O O . HOH P 5 . ? 20.670 40.728 28.001 1.00 32.85 ? 115 HOH F O 1 HETATM 4697 O O . HOH P 5 . ? -18.971 38.543 20.852 1.00 58.69 ? 116 HOH F O 1 HETATM 4698 O O . HOH P 5 . ? -16.225 30.318 19.457 1.00 43.80 ? 117 HOH F O 1 HETATM 4699 O O . HOH P 5 . ? 7.286 24.342 11.191 1.00 35.86 ? 118 HOH F O 1 HETATM 4700 O O . HOH P 5 . ? -12.915 31.056 20.462 1.00 30.57 ? 119 HOH F O 1 HETATM 4701 O O . HOH P 5 . ? -0.537 24.502 28.882 1.00 44.95 ? 120 HOH F O 1 HETATM 4702 O O . HOH P 5 . ? -18.914 35.780 21.079 1.00 44.43 ? 121 HOH F O 1 HETATM 4703 O O . HOH P 5 . ? 1.650 29.188 27.698 1.00 41.91 ? 122 HOH F O 1 HETATM 4704 O O . HOH P 5 . ? 18.217 36.824 19.829 1.00 33.36 ? 123 HOH F O 1 HETATM 4705 O O . HOH P 5 . ? 15.719 39.861 28.085 1.00 46.15 ? 124 HOH F O 1 HETATM 4706 O O . HOH P 5 . ? 3.427 28.487 16.863 1.00 32.39 ? 125 HOH F O 1 HETATM 4707 O O . HOH P 5 . ? 7.102 32.980 17.145 1.00 46.92 ? 126 HOH F O 1 HETATM 4708 O O . HOH P 5 . ? 15.158 27.663 18.876 1.00 32.57 ? 127 HOH F O 1 HETATM 4709 O O . HOH P 5 . ? 18.185 30.385 18.247 1.00 41.49 ? 128 HOH F O 1 HETATM 4710 O O . HOH P 5 . ? 5.586 30.756 16.735 1.00 42.23 ? 129 HOH F O 1 HETATM 4711 O O . HOH P 5 . ? 9.827 36.594 12.483 1.00 41.62 ? 130 HOH F O 1 HETATM 4712 O O . HOH P 5 . ? -0.417 25.329 18.463 1.00 45.37 ? 131 HOH F O 1 HETATM 4713 O O . HOH P 5 . ? -10.716 37.828 31.502 1.00 37.11 ? 132 HOH F O 1 HETATM 4714 O O . HOH P 5 . ? 18.296 40.923 20.426 1.00 41.30 ? 133 HOH F O 1 HETATM 4715 O O . HOH P 5 . ? -15.793 31.061 29.813 1.00 41.87 ? 134 HOH F O 1 HETATM 4716 O O . HOH P 5 . ? -13.810 29.094 29.790 1.00 39.28 ? 135 HOH F O 1 HETATM 4717 O O . HOH P 5 . ? 9.851 23.448 17.455 1.00 40.04 ? 136 HOH F O 1 HETATM 4718 O O . HOH P 5 . ? 20.800 33.532 19.917 1.00 27.60 ? 137 HOH F O 1 HETATM 4719 O O . HOH P 5 . ? -13.901 33.046 19.412 1.00 52.59 ? 138 HOH F O 1 HETATM 4720 O O . HOH P 5 . ? -5.037 32.801 31.734 1.00 37.90 ? 139 HOH F O 1 HETATM 4721 O O . HOH P 5 . ? 14.805 31.409 13.567 1.00 46.75 ? 140 HOH F O 1 HETATM 4722 O O . HOH P 5 . ? 12.470 25.578 15.145 1.00 48.81 ? 141 HOH F O 1 HETATM 4723 O O . HOH P 5 . ? 2.431 26.431 15.388 1.00 39.64 ? 142 HOH F O 1 HETATM 4724 O O . HOH P 5 . ? -14.525 32.093 34.185 1.00 47.55 ? 143 HOH F O 1 HETATM 4725 O O . HOH P 5 . ? -4.531 19.424 22.685 1.00 46.01 ? 144 HOH F O 1 HETATM 4726 O O . HOH P 5 . ? 15.875 33.249 29.153 1.00 47.24 ? 145 HOH F O 1 HETATM 4727 O O . HOH P 5 . ? 10.994 21.395 15.690 1.00 48.27 ? 146 HOH F O 1 HETATM 4728 O O . HOH P 5 . ? 14.390 29.257 14.722 1.00 45.36 ? 147 HOH F O 1 HETATM 4729 O O . HOH P 5 . ? 17.201 38.140 15.615 1.00 32.35 ? 148 HOH F O 1 HETATM 4730 O O . HOH P 5 . ? 10.998 23.976 13.745 1.00 42.36 ? 149 HOH F O 1 HETATM 4731 O O . HOH P 5 . ? 16.593 38.141 30.529 1.00 46.33 ? 150 HOH F O 1 HETATM 4732 O O . HOH P 5 . ? 16.851 33.812 17.238 1.00 43.61 ? 151 HOH F O 1 HETATM 4733 O O . HOH P 5 . ? 19.201 32.660 17.798 1.00 41.31 ? 152 HOH F O 1 HETATM 4734 O O . HOH P 5 . ? -5.872 34.561 33.807 1.00 47.16 ? 153 HOH F O 1 HETATM 4735 O O . HOH P 5 . ? 8.450 26.775 7.010 1.00 61.14 ? 154 HOH F O 1 HETATM 4736 O O . HOH P 5 . ? -0.066 35.398 34.095 1.00 60.01 ? 155 HOH F O 1 HETATM 4737 O O . HOH Q 5 . ? 16.016 -7.419 68.459 1.00 45.25 ? 201 HOH C O 1 HETATM 4738 O O . HOH Q 5 . ? 24.116 -23.631 57.502 1.00 48.36 ? 202 HOH C O 1 HETATM 4739 O O . HOH Q 5 . ? 22.009 -26.571 44.841 1.00 49.35 ? 203 HOH C O 1 HETATM 4740 O O . HOH Q 5 . ? 19.475 -9.975 56.943 1.00 49.13 ? 204 HOH C O 1 HETATM 4741 O O . HOH Q 5 . ? 22.708 -24.804 40.510 1.00 49.43 ? 205 HOH C O 1 HETATM 4742 O O . HOH Q 5 . ? 18.850 -15.461 27.508 1.00 56.99 ? 206 HOH C O 1 HETATM 4743 O O . HOH Q 5 . ? 5.586 -11.927 47.638 1.00 14.29 ? 207 HOH C O 1 HETATM 4744 O O . HOH Q 5 . ? 25.287 3.186 64.801 1.00 45.73 ? 208 HOH C O 1 HETATM 4745 O O . HOH Q 5 . ? 24.100 -18.071 55.135 1.00 48.94 ? 209 HOH C O 1 HETATM 4746 O O . HOH Q 5 . ? 3.110 -8.625 44.606 1.00 42.65 ? 210 HOH C O 1 HETATM 4747 O O . HOH Q 5 . ? 16.019 -3.136 35.478 1.00 40.71 ? 211 HOH C O 1 HETATM 4748 O O . HOH Q 5 . ? 7.541 -19.722 38.560 1.00 30.12 ? 212 HOH C O 1 HETATM 4749 O O . HOH Q 5 . ? 13.767 -24.032 37.378 1.00 24.17 ? 213 HOH C O 1 HETATM 4750 O O . HOH Q 5 . ? 4.973 -5.452 51.532 1.00 42.67 ? 214 HOH C O 1 HETATM 4751 O O . HOH Q 5 . ? 12.784 -2.987 65.714 1.00 43.73 ? 215 HOH C O 1 HETATM 4752 O O . HOH Q 5 . ? 24.338 -9.156 41.927 1.00 36.23 ? 216 HOH C O 1 HETATM 4753 O O . HOH Q 5 . ? 18.645 -0.847 52.100 1.00 41.46 ? 217 HOH C O 1 HETATM 4754 O O . HOH Q 5 . ? 20.644 -24.179 44.390 1.00 36.19 ? 218 HOH C O 1 HETATM 4755 O O . HOH Q 5 . ? 11.133 -0.479 54.876 1.00 40.76 ? 219 HOH C O 1 HETATM 4756 O O . HOH Q 5 . ? 25.734 12.924 57.020 1.00 40.60 ? 220 HOH C O 1 HETATM 4757 O O . HOH Q 5 . ? 8.572 -11.309 30.913 1.00 28.55 ? 221 HOH C O 1 HETATM 4758 O O . HOH Q 5 . ? 19.824 -29.286 34.041 1.00 26.19 ? 222 HOH C O 1 HETATM 4759 O O . HOH Q 5 . ? 17.236 -1.971 56.760 1.00 34.51 ? 223 HOH C O 1 HETATM 4760 O O . HOH Q 5 . ? 15.556 -22.103 30.990 1.00 33.43 ? 224 HOH C O 1 HETATM 4761 O O . HOH Q 5 . ? 19.942 -19.794 35.925 1.00 29.82 ? 225 HOH C O 1 HETATM 4762 O O . HOH Q 5 . ? 27.030 -11.461 47.704 1.00 28.11 ? 226 HOH C O 1 HETATM 4763 O O . HOH Q 5 . ? 5.591 -6.028 56.455 1.00 41.24 ? 227 HOH C O 1 HETATM 4764 O O . HOH Q 5 . ? 11.777 0.261 37.270 1.00 43.57 ? 228 HOH C O 1 HETATM 4765 O O . HOH Q 5 . ? 19.321 -4.238 53.422 1.00 32.87 ? 229 HOH C O 1 HETATM 4766 O O . HOH Q 5 . ? 26.877 -8.407 54.589 1.00 55.86 ? 230 HOH C O 1 HETATM 4767 O O . HOH Q 5 . ? 11.060 -26.617 57.050 1.00 42.61 ? 231 HOH C O 1 HETATM 4768 O O . HOH Q 5 . ? 16.959 -8.084 42.095 1.00 18.07 ? 232 HOH C O 1 HETATM 4769 O O . HOH Q 5 . ? 11.863 -20.561 35.813 1.00 32.48 ? 233 HOH C O 1 HETATM 4770 O O . HOH Q 5 . ? 14.058 -29.150 50.656 1.00 35.13 ? 234 HOH C O 1 HETATM 4771 O O . HOH Q 5 . ? 15.631 -0.809 43.833 1.00 48.05 ? 235 HOH C O 1 HETATM 4772 O O . HOH Q 5 . ? 19.183 -5.346 35.569 1.00 28.54 ? 236 HOH C O 1 HETATM 4773 O O . HOH Q 5 . ? 18.713 -5.877 39.660 1.00 27.28 ? 237 HOH C O 1 HETATM 4774 O O . HOH Q 5 . ? 14.240 -12.237 36.744 1.00 20.67 ? 238 HOH C O 1 HETATM 4775 O O . HOH Q 5 . ? -0.225 -8.529 49.708 1.00 46.00 ? 239 HOH C O 1 HETATM 4776 O O . HOH Q 5 . ? 14.125 -18.375 33.198 1.00 28.72 ? 240 HOH C O 1 HETATM 4777 O O . HOH Q 5 . ? 1.674 -11.182 52.946 1.00 31.29 ? 241 HOH C O 1 HETATM 4778 O O . HOH Q 5 . ? 0.155 -18.537 47.999 1.00 42.00 ? 242 HOH C O 1 HETATM 4779 O O . HOH Q 5 . ? 6.071 -8.556 45.324 1.00 27.55 ? 243 HOH C O 1 HETATM 4780 O O . HOH Q 5 . ? 25.062 -14.727 38.935 1.00 31.41 ? 244 HOH C O 1 HETATM 4781 O O . HOH Q 5 . ? 16.251 0.822 40.374 1.00 25.78 ? 245 HOH C O 1 HETATM 4782 O O . HOH Q 5 . ? 6.867 -10.605 38.873 1.00 22.03 ? 246 HOH C O 1 HETATM 4783 O O . HOH Q 5 . ? 16.103 -19.646 60.431 1.00 52.74 ? 247 HOH C O 1 HETATM 4784 O O . HOH Q 5 . ? 19.358 0.569 62.575 1.00 39.66 ? 248 HOH C O 1 HETATM 4785 O O . HOH Q 5 . ? 21.328 -0.522 55.860 1.00 39.87 ? 249 HOH C O 1 HETATM 4786 O O . HOH Q 5 . ? 12.247 -3.279 36.870 1.00 44.44 ? 250 HOH C O 1 HETATM 4787 O O . HOH Q 5 . ? 11.454 -5.256 35.729 1.00 32.34 ? 251 HOH C O 1 HETATM 4788 O O . HOH Q 5 . ? 29.043 2.905 54.312 1.00 38.90 ? 252 HOH C O 1 HETATM 4789 O O . HOH Q 5 . ? 12.575 -0.266 47.894 1.00 44.39 ? 253 HOH C O 1 HETATM 4790 O O . HOH Q 5 . ? 17.091 0.755 47.569 1.00 37.09 ? 254 HOH C O 1 HETATM 4791 O O . HOH Q 5 . ? 21.071 -15.288 27.340 1.00 56.53 ? 255 HOH C O 1 HETATM 4792 O O . HOH Q 5 . ? 21.552 -11.113 55.388 1.00 47.21 ? 256 HOH C O 1 HETATM 4793 O O . HOH Q 5 . ? 15.269 1.918 56.609 1.00 34.44 ? 257 HOH C O 1 HETATM 4794 O O . HOH Q 5 . ? 7.850 -20.749 45.498 1.00 33.29 ? 258 HOH C O 1 HETATM 4795 O O . HOH Q 5 . ? 5.693 -4.873 42.906 1.00 34.08 ? 259 HOH C O 1 HETATM 4796 O O . HOH Q 5 . ? 20.756 -25.747 36.655 1.00 38.78 ? 260 HOH C O 1 HETATM 4797 O O . HOH Q 5 . ? 20.402 -1.537 59.848 1.00 43.27 ? 261 HOH C O 1 HETATM 4798 O O . HOH Q 5 . ? 7.841 -1.087 59.912 1.00 50.47 ? 262 HOH C O 1 HETATM 4799 O O . HOH Q 5 . ? 21.084 -3.739 61.309 1.00 40.25 ? 263 HOH C O 1 HETATM 4800 O O . HOH Q 5 . ? 18.194 -25.385 43.656 1.00 24.60 ? 264 HOH C O 1 HETATM 4801 O O . HOH Q 5 . ? 4.285 -15.833 41.474 1.00 30.65 ? 265 HOH C O 1 HETATM 4802 O O . HOH Q 5 . ? 28.020 -0.464 63.850 1.00 46.00 ? 266 HOH C O 1 HETATM 4803 O O . HOH Q 5 . ? 16.308 -28.516 27.369 1.00 30.09 ? 267 HOH C O 1 HETATM 4804 O O . HOH Q 5 . ? 23.561 -6.181 42.289 1.00 32.02 ? 268 HOH C O 1 HETATM 4805 O O . HOH Q 5 . ? 19.361 -6.256 62.635 1.00 39.68 ? 269 HOH C O 1 HETATM 4806 O O . HOH Q 5 . ? 14.445 -0.028 46.718 1.00 29.82 ? 270 HOH C O 1 HETATM 4807 O O . HOH Q 5 . ? 1.948 -13.608 54.392 1.00 47.18 ? 271 HOH C O 1 HETATM 4808 O O . HOH Q 5 . ? 21.246 -21.689 62.077 1.00 54.82 ? 272 HOH C O 1 HETATM 4809 O O . HOH Q 5 . ? 26.190 1.567 57.191 1.00 51.50 ? 273 HOH C O 1 HETATM 4810 O O . HOH Q 5 . ? 21.542 2.261 61.675 1.00 38.69 ? 274 HOH C O 1 HETATM 4811 O O . HOH Q 5 . ? 15.602 0.281 54.940 1.00 46.99 ? 275 HOH C O 1 HETATM 4812 O O . HOH Q 5 . ? 12.536 1.090 44.815 1.00 32.76 ? 276 HOH C O 1 HETATM 4813 O O . HOH Q 5 . ? 23.993 -10.662 55.220 1.00 53.88 ? 277 HOH C O 1 HETATM 4814 O O . HOH Q 5 . ? 15.541 -24.763 46.956 1.00 44.42 ? 278 HOH C O 1 HETATM 4815 O O . HOH Q 5 . ? 10.060 -1.351 49.797 1.00 35.00 ? 279 HOH C O 1 HETATM 4816 O O . HOH Q 5 . ? 7.431 -4.915 35.913 1.00 51.53 ? 280 HOH C O 1 HETATM 4817 O O . HOH Q 5 . ? 17.040 -1.003 42.436 1.00 61.30 ? 281 HOH C O 1 HETATM 4818 O O . HOH Q 5 . ? 22.963 4.519 64.447 1.00 44.18 ? 282 HOH C O 1 HETATM 4819 O O . HOH Q 5 . ? 10.947 3.153 42.666 1.00 29.33 ? 283 HOH C O 1 HETATM 4820 O O . HOH Q 5 . ? 5.066 -9.549 40.739 1.00 32.90 ? 284 HOH C O 1 HETATM 4821 O O . HOH Q 5 . ? 11.029 -24.890 40.947 1.00 45.02 ? 285 HOH C O 1 HETATM 4822 O O . HOH Q 5 . ? 20.771 -13.185 57.810 1.00 48.59 ? 286 HOH C O 1 HETATM 4823 O O . HOH Q 5 . ? 20.410 -17.384 60.573 1.00 53.90 ? 287 HOH C O 1 HETATM 4824 O O . HOH Q 5 . ? 26.835 0.620 66.230 1.00 43.14 ? 288 HOH C O 1 HETATM 4825 O O . HOH Q 5 . ? 23.097 -24.876 38.643 1.00 53.79 ? 289 HOH C O 1 HETATM 4826 O O . HOH Q 5 . ? 17.792 -21.891 63.188 1.00 69.96 ? 290 HOH C O 1 HETATM 4827 O O . HOH Q 5 . ? 12.423 2.766 44.287 1.00 37.20 ? 291 HOH C O 1 HETATM 4828 O O . HOH Q 5 . ? 22.869 1.141 58.015 1.00 43.70 ? 292 HOH C O 1 HETATM 4829 O O . HOH Q 5 . ? 8.061 2.983 39.666 1.00 49.10 ? 293 HOH C O 1 HETATM 4830 O O . HOH Q 5 . ? 20.865 2.228 64.715 1.00 47.00 ? 294 HOH C O 1 HETATM 4831 O O . HOH Q 5 . ? 15.713 -26.428 26.772 1.00 57.93 ? 295 HOH C O 1 HETATM 4832 O O . HOH Q 5 . ? 21.409 -15.425 58.444 1.00 54.56 ? 296 HOH C O 1 HETATM 4833 O O . HOH Q 5 . ? 23.533 -20.578 19.436 1.00 53.23 ? 297 HOH C O 1 HETATM 4834 O O . HOH Q 5 . ? -0.279 -8.317 53.082 1.00 45.89 ? 298 HOH C O 1 HETATM 4835 O O . HOH Q 5 . ? 9.071 -27.787 58.097 1.00 53.48 ? 299 HOH C O 1 HETATM 4836 O O . HOH Q 5 . ? 4.911 -22.108 40.055 1.00 54.53 ? 300 HOH C O 1 HETATM 4837 O O . HOH Q 5 . ? -0.914 -10.159 52.783 1.00 46.37 ? 301 HOH C O 1 HETATM 4838 O O . HOH Q 5 . ? 29.454 -9.900 39.107 1.00 63.77 ? 302 HOH C O 1 HETATM 4839 O O . HOH Q 5 . ? 5.879 1.277 38.590 1.00 47.89 ? 303 HOH C O 1 HETATM 4840 O O . HOH Q 5 . ? -0.019 -12.859 55.704 1.00 54.03 ? 304 HOH C O 1 HETATM 4841 O O . HOH Q 5 . ? 15.984 -23.271 62.816 1.00 52.84 ? 305 HOH C O 1 HETATM 4842 O O . HOH Q 5 . ? 0.841 -5.855 52.743 1.00 66.55 ? 306 HOH C O 1 HETATM 4843 O O . HOH Q 5 . ? 8.548 -2.468 63.055 1.00 39.27 ? 307 HOH C O 1 HETATM 4844 O O . HOH Q 5 . ? 5.579 -2.537 57.970 1.00 52.26 ? 308 HOH C O 1 HETATM 4845 O O . HOH Q 5 . ? -2.501 -21.512 49.789 1.00 53.49 ? 309 HOH C O 1 HETATM 4846 O O . HOH Q 5 . ? 11.957 1.652 48.155 1.00 34.61 ? 310 HOH C O 1 HETATM 4847 O O . HOH Q 5 . ? 2.098 -19.718 43.074 1.00 51.87 ? 311 HOH C O 1 HETATM 4848 O O . HOH Q 5 . ? 17.397 -6.490 31.764 1.00 45.92 ? 312 HOH C O 1 HETATM 4849 O O . HOH Q 5 . ? 2.123 -5.394 55.501 1.00 54.29 ? 313 HOH C O 1 HETATM 4850 O O . HOH Q 5 . ? 6.273 -3.232 50.869 1.00 39.75 ? 314 HOH C O 1 HETATM 4851 O O . HOH Q 5 . ? 24.118 -15.882 57.501 1.00 60.65 ? 315 HOH C O 1 HETATM 4852 O O . HOH Q 5 . ? 22.310 0.530 60.010 1.00 49.33 ? 316 HOH C O 1 HETATM 4853 O O . HOH Q 5 . ? 11.472 -27.939 42.650 1.00 47.87 ? 317 HOH C O 1 HETATM 4854 O O . HOH Q 5 . ? 13.497 2.025 46.377 1.00 45.06 ? 318 HOH C O 1 HETATM 4855 O O . HOH Q 5 . ? 10.849 -26.642 60.154 1.00 49.27 ? 319 HOH C O 1 HETATM 4856 O O . HOH Q 5 . ? -1.072 -12.334 56.774 1.00 51.14 ? 320 HOH C O 1 HETATM 4857 O O . HOH Q 5 . ? 15.157 -19.194 64.668 1.00 53.80 ? 321 HOH C O 1 HETATM 4858 O O . HOH Q 5 . ? -1.801 -5.375 52.898 1.00 54.36 ? 322 HOH C O 1 HETATM 4859 O O . HOH R 5 . ? 15.476 17.616 33.986 1.00 51.53 ? 301 HOH D O 1 HETATM 4860 O O . HOH R 5 . ? 39.743 3.007 38.328 1.00 51.60 ? 302 HOH D O 1 HETATM 4861 O O . HOH R 5 . ? 34.632 14.883 56.109 1.00 45.64 ? 303 HOH D O 1 HETATM 4862 O O . HOH R 5 . ? 29.110 15.749 55.576 1.00 47.77 ? 304 HOH D O 1 HETATM 4863 O O . HOH R 5 . ? 21.993 21.145 37.939 1.00 39.06 ? 305 HOH D O 1 HETATM 4864 O O . HOH R 5 . ? 38.181 13.390 28.207 1.00 44.00 ? 306 HOH D O 1 HETATM 4865 O O . HOH R 5 . ? 27.763 -3.701 39.098 1.00 54.39 ? 307 HOH D O 1 HETATM 4866 O O . HOH R 5 . ? 24.847 -4.709 41.740 1.00 56.25 ? 308 HOH D O 1 HETATM 4867 O O . HOH R 5 . ? 43.966 3.379 45.101 1.00 42.84 ? 309 HOH D O 1 HETATM 4868 O O . HOH R 5 . ? 17.259 17.372 44.490 1.00 38.91 ? 310 HOH D O 1 HETATM 4869 O O . HOH R 5 . ? 19.263 -2.518 32.324 1.00 42.53 ? 311 HOH D O 1 HETATM 4870 O O . HOH R 5 . ? 39.252 2.472 46.109 1.00 46.02 ? 312 HOH D O 1 HETATM 4871 O O . HOH R 5 . ? 33.997 13.941 32.903 1.00 61.08 ? 313 HOH D O 1 HETATM 4872 O O . HOH R 5 . ? 29.934 -1.090 47.534 1.00 40.83 ? 314 HOH D O 1 HETATM 4873 O O . HOH R 5 . ? 13.255 16.066 51.479 1.00 35.59 ? 315 HOH D O 1 HETATM 4874 O O . HOH R 5 . ? 21.540 6.531 55.731 1.00 36.33 ? 316 HOH D O 1 HETATM 4875 O O . HOH R 5 . ? 23.293 -2.833 38.888 1.00 35.97 ? 317 HOH D O 1 HETATM 4876 O O . HOH R 5 . ? 32.034 28.041 47.488 1.00 36.37 ? 318 HOH D O 1 HETATM 4877 O O . HOH R 5 . ? 29.565 14.392 58.693 1.00 44.44 ? 319 HOH D O 1 HETATM 4878 O O . HOH R 5 . ? 20.995 13.841 29.279 1.00 37.10 ? 320 HOH D O 1 HETATM 4879 O O . HOH R 5 . ? 18.888 2.186 40.605 1.00 30.82 ? 321 HOH D O 1 HETATM 4880 O O . HOH R 5 . ? 22.009 4.248 40.487 1.00 17.39 ? 322 HOH D O 1 HETATM 4881 O O . HOH R 5 . ? 29.632 0.405 31.916 1.00 36.93 ? 323 HOH D O 1 HETATM 4882 O O . HOH R 5 . ? 19.063 9.628 36.345 1.00 21.66 ? 324 HOH D O 1 HETATM 4883 O O . HOH R 5 . ? 14.786 2.644 39.200 1.00 25.09 ? 325 HOH D O 1 HETATM 4884 O O . HOH R 5 . ? 22.006 5.635 52.349 1.00 23.89 ? 326 HOH D O 1 HETATM 4885 O O . HOH R 5 . ? 17.903 16.381 35.288 1.00 41.67 ? 327 HOH D O 1 HETATM 4886 O O . HOH R 5 . ? 18.028 5.559 50.819 1.00 37.41 ? 328 HOH D O 1 HETATM 4887 O O . HOH R 5 . ? 36.854 12.686 24.362 1.00 40.33 ? 329 HOH D O 1 HETATM 4888 O O . HOH R 5 . ? 24.117 19.523 46.901 1.00 32.00 ? 330 HOH D O 1 HETATM 4889 O O . HOH R 5 . ? 16.698 17.201 41.923 1.00 28.55 ? 331 HOH D O 1 HETATM 4890 O O . HOH R 5 . ? 15.903 0.090 35.495 1.00 38.54 ? 332 HOH D O 1 HETATM 4891 O O . HOH R 5 . ? 17.086 11.955 29.275 1.00 36.20 ? 333 HOH D O 1 HETATM 4892 O O . HOH R 5 . ? 21.391 9.706 57.073 1.00 44.51 ? 334 HOH D O 1 HETATM 4893 O O . HOH R 5 . ? 25.733 -2.470 29.385 1.00 54.42 ? 335 HOH D O 1 HETATM 4894 O O . HOH R 5 . ? 15.226 17.727 48.506 1.00 31.53 ? 336 HOH D O 1 HETATM 4895 O O . HOH R 5 . ? 39.247 17.258 48.071 1.00 52.60 ? 337 HOH D O 1 HETATM 4896 O O . HOH R 5 . ? 30.037 5.609 29.186 1.00 51.27 ? 338 HOH D O 1 HETATM 4897 O O . HOH R 5 . ? 18.595 4.338 46.821 1.00 23.13 ? 339 HOH D O 1 HETATM 4898 O O . HOH R 5 . ? 23.929 7.821 30.511 1.00 35.09 ? 340 HOH D O 1 HETATM 4899 O O . HOH R 5 . ? 29.272 20.246 50.585 1.00 55.77 ? 341 HOH D O 1 HETATM 4900 O O . HOH R 5 . ? 29.406 19.240 46.584 1.00 46.00 ? 342 HOH D O 1 HETATM 4901 O O . HOH R 5 . ? 11.132 10.344 33.069 1.00 53.61 ? 343 HOH D O 1 HETATM 4902 O O . HOH R 5 . ? 25.346 20.024 51.147 1.00 39.96 ? 344 HOH D O 1 HETATM 4903 O O . HOH R 5 . ? 29.677 4.560 32.187 1.00 32.34 ? 345 HOH D O 1 HETATM 4904 O O . HOH R 5 . ? 15.902 10.764 46.950 1.00 25.85 ? 346 HOH D O 1 HETATM 4905 O O . HOH R 5 . ? 24.214 12.613 54.742 1.00 34.70 ? 347 HOH D O 1 HETATM 4906 O O . HOH R 5 . ? 19.911 -4.149 37.804 1.00 38.70 ? 348 HOH D O 1 HETATM 4907 O O . HOH R 5 . ? 32.464 19.701 53.249 1.00 41.45 ? 349 HOH D O 1 HETATM 4908 O O . HOH R 5 . ? 39.656 12.366 50.318 1.00 41.61 ? 350 HOH D O 1 HETATM 4909 O O . HOH R 5 . ? 27.459 1.780 30.361 1.00 31.42 ? 351 HOH D O 1 HETATM 4910 O O . HOH R 5 . ? 40.498 15.220 54.983 1.00 50.72 ? 352 HOH D O 1 HETATM 4911 O O . HOH R 5 . ? 18.049 10.948 57.276 1.00 50.07 ? 353 HOH D O 1 HETATM 4912 O O . HOH R 5 . ? 31.933 20.187 46.050 1.00 46.92 ? 354 HOH D O 1 HETATM 4913 O O . HOH R 5 . ? 28.487 16.335 52.543 1.00 40.78 ? 355 HOH D O 1 HETATM 4914 O O . HOH R 5 . ? 46.264 4.608 42.729 1.00 53.92 ? 356 HOH D O 1 HETATM 4915 O O . HOH R 5 . ? 18.204 9.325 26.577 1.00 54.26 ? 357 HOH D O 1 HETATM 4916 O O . HOH R 5 . ? 12.944 6.146 38.751 1.00 62.86 ? 358 HOH D O 1 HETATM 4917 O O . HOH R 5 . ? 28.797 12.784 30.005 1.00 42.36 ? 359 HOH D O 1 HETATM 4918 O O . HOH R 5 . ? 31.104 -5.800 49.820 1.00 32.95 ? 360 HOH D O 1 HETATM 4919 O O . HOH R 5 . ? 19.507 2.342 32.153 1.00 41.55 ? 361 HOH D O 1 HETATM 4920 O O . HOH R 5 . ? 19.645 11.608 29.595 1.00 34.20 ? 362 HOH D O 1 HETATM 4921 O O . HOH R 5 . ? 24.944 -4.924 36.223 1.00 31.98 ? 363 HOH D O 1 HETATM 4922 O O . HOH R 5 . ? 38.182 10.873 53.099 1.00 41.14 ? 364 HOH D O 1 HETATM 4923 O O . HOH R 5 . ? 18.962 1.739 45.998 1.00 28.75 ? 365 HOH D O 1 HETATM 4924 O O . HOH R 5 . ? 28.355 20.254 44.267 1.00 46.75 ? 366 HOH D O 1 HETATM 4925 O O . HOH R 5 . ? 23.971 20.571 53.288 1.00 58.56 ? 367 HOH D O 1 HETATM 4926 O O . HOH R 5 . ? 32.276 -12.725 45.215 1.00 62.89 ? 368 HOH D O 1 HETATM 4927 O O . HOH R 5 . ? 24.654 15.586 30.036 1.00 48.42 ? 369 HOH D O 1 HETATM 4928 O O . HOH R 5 . ? 25.709 -4.764 39.434 1.00 52.93 ? 370 HOH D O 1 HETATM 4929 O O . HOH R 5 . ? 17.672 1.517 43.383 1.00 32.95 ? 371 HOH D O 1 HETATM 4930 O O . HOH R 5 . ? 19.421 15.806 29.304 1.00 35.87 ? 372 HOH D O 1 HETATM 4931 O O . HOH R 5 . ? 26.539 6.517 29.777 1.00 41.78 ? 373 HOH D O 1 HETATM 4932 O O . HOH R 5 . ? 43.197 1.108 43.771 1.00 41.49 ? 374 HOH D O 1 HETATM 4933 O O . HOH R 5 . ? 41.756 1.829 45.150 1.00 54.02 ? 375 HOH D O 1 HETATM 4934 O O . HOH R 5 . ? 31.085 -1.800 35.680 1.00 41.82 ? 376 HOH D O 1 HETATM 4935 O O . HOH R 5 . ? 25.639 15.206 54.496 1.00 52.00 ? 377 HOH D O 1 HETATM 4936 O O . HOH R 5 . ? 16.433 2.826 47.819 1.00 38.79 ? 378 HOH D O 1 HETATM 4937 O O . HOH R 5 . ? 16.767 9.531 56.449 1.00 55.46 ? 379 HOH D O 1 HETATM 4938 O O . HOH R 5 . ? 17.905 4.807 27.918 1.00 52.44 ? 380 HOH D O 1 HETATM 4939 O O . HOH R 5 . ? 14.730 1.412 48.292 1.00 53.96 ? 381 HOH D O 1 HETATM 4940 O O . HOH R 5 . ? 15.792 6.736 47.887 1.00 53.38 ? 382 HOH D O 1 HETATM 4941 O O . HOH R 5 . ? 32.485 4.269 50.977 1.00 47.89 ? 383 HOH D O 1 HETATM 4942 O O . HOH R 5 . ? 13.027 0.984 51.216 1.00 52.72 ? 384 HOH D O 1 HETATM 4943 O O . HOH R 5 . ? 20.989 9.869 27.698 1.00 38.73 ? 385 HOH D O 1 HETATM 4944 O O . HOH R 5 . ? 17.534 -4.290 34.156 1.00 49.56 ? 386 HOH D O 1 HETATM 4945 O O . HOH R 5 . ? 17.467 2.949 29.179 1.00 54.30 ? 387 HOH D O 1 HETATM 4946 O O . HOH R 5 . ? 21.053 12.797 55.656 1.00 47.62 ? 388 HOH D O 1 HETATM 4947 O O . HOH R 5 . ? 13.985 19.637 42.030 1.00 44.52 ? 389 HOH D O 1 HETATM 4948 O O . HOH R 5 . ? 20.843 -3.261 29.718 1.00 52.38 ? 390 HOH D O 1 HETATM 4949 O O . HOH R 5 . ? 29.572 -2.379 31.362 1.00 37.42 ? 391 HOH D O 1 HETATM 4950 O O . HOH R 5 . ? 31.044 -12.228 53.471 1.00 52.31 ? 392 HOH D O 1 HETATM 4951 O O . HOH R 5 . ? 18.968 16.179 54.803 1.00 54.70 ? 393 HOH D O 1 HETATM 4952 O O . HOH R 5 . ? 34.360 13.049 24.153 1.00 57.99 ? 394 HOH D O 1 HETATM 4953 O O . HOH R 5 . ? 8.678 11.067 35.771 1.00 55.09 ? 395 HOH D O 1 HETATM 4954 O O . HOH R 5 . ? 12.061 3.302 39.823 1.00 40.15 ? 396 HOH D O 1 HETATM 4955 O O . HOH R 5 . ? 27.867 4.561 29.585 1.00 46.21 ? 397 HOH D O 1 HETATM 4956 O O . HOH R 5 . ? 45.961 3.693 45.648 1.00 45.01 ? 398 HOH D O 1 HETATM 4957 O O . HOH R 5 . ? 38.321 11.217 55.978 1.00 48.62 ? 399 HOH D O 1 HETATM 4958 O O . HOH R 5 . ? 30.423 14.454 29.350 1.00 67.35 ? 400 HOH D O 1 HETATM 4959 O O . HOH R 5 . ? 11.530 5.695 40.506 1.00 51.35 ? 401 HOH D O 1 HETATM 4960 O O . HOH R 5 . ? 14.968 5.278 48.228 1.00 59.76 ? 402 HOH D O 1 HETATM 4961 O O . HOH R 5 . ? 48.137 4.420 42.671 1.00 49.65 ? 403 HOH D O 1 HETATM 4962 O O . HOH R 5 . ? 25.739 12.101 28.144 1.00 59.70 ? 404 HOH D O 1 HETATM 4963 O O . HOH R 5 . ? 23.429 15.645 55.528 1.00 45.28 ? 405 HOH D O 1 HETATM 4964 O O . HOH S 5 . ? 5.108 -45.620 50.428 1.00 43.62 ? 101 HOH G O 1 HETATM 4965 O O . HOH S 5 . ? 18.697 -30.980 58.379 1.00 41.42 ? 102 HOH G O 1 HETATM 4966 O O . HOH S 5 . ? -5.624 -42.845 64.251 1.00 28.56 ? 103 HOH G O 1 HETATM 4967 O O . HOH S 5 . ? 3.340 -40.569 51.323 1.00 35.62 ? 104 HOH G O 1 HETATM 4968 O O . HOH S 5 . ? 1.505 -43.069 54.562 1.00 40.59 ? 105 HOH G O 1 HETATM 4969 O O . HOH S 5 . ? 1.270 -35.867 52.204 1.00 41.43 ? 106 HOH G O 1 HETATM 4970 O O . HOH S 5 . ? -12.080 -32.612 51.932 1.00 38.75 ? 107 HOH G O 1 HETATM 4971 O O . HOH S 5 . ? -11.322 -29.806 65.954 1.00 50.13 ? 108 HOH G O 1 HETATM 4972 O O . HOH S 5 . ? 6.990 -31.582 53.753 1.00 46.93 ? 109 HOH G O 1 HETATM 4973 O O . HOH S 5 . ? -7.555 -26.805 64.825 1.00 51.92 ? 110 HOH G O 1 HETATM 4974 O O . HOH S 5 . ? 21.862 -28.418 56.719 1.00 48.32 ? 111 HOH G O 1 HETATM 4975 O O . HOH S 5 . ? -9.256 -37.963 60.387 1.00 49.74 ? 112 HOH G O 1 HETATM 4976 O O . HOH S 5 . ? -6.290 -30.293 59.307 1.00 46.02 ? 113 HOH G O 1 HETATM 4977 O O . HOH S 5 . ? 4.168 -34.456 51.185 1.00 49.79 ? 114 HOH G O 1 HETATM 4978 O O . HOH S 5 . ? -18.535 -28.046 47.663 1.00 40.06 ? 115 HOH G O 1 HETATM 4979 O O . HOH S 5 . ? 9.366 -40.573 55.718 1.00 34.86 ? 116 HOH G O 1 HETATM 4980 O O . HOH S 5 . ? -4.458 -38.136 68.733 1.00 46.88 ? 117 HOH G O 1 HETATM 4981 O O . HOH S 5 . ? 7.490 -44.264 58.371 1.00 38.80 ? 118 HOH G O 1 HETATM 4982 O O . HOH S 5 . ? 16.979 -26.594 45.432 1.00 57.68 ? 119 HOH G O 1 HETATM 4983 O O . HOH S 5 . ? -18.398 -35.939 49.737 1.00 41.83 ? 120 HOH G O 1 HETATM 4984 O O . HOH S 5 . ? 3.258 -37.407 61.727 1.00 46.29 ? 121 HOH G O 1 HETATM 4985 O O . HOH S 5 . ? -16.656 -26.267 47.697 1.00 45.19 ? 122 HOH G O 1 HETATM 4986 O O . HOH S 5 . ? -2.719 -39.165 53.919 1.00 44.44 ? 123 HOH G O 1 HETATM 4987 O O . HOH S 5 . ? -7.822 -40.923 64.349 1.00 72.38 ? 124 HOH G O 1 HETATM 4988 O O . HOH S 5 . ? 5.146 -39.883 61.297 1.00 40.47 ? 125 HOH G O 1 HETATM 4989 O O . HOH S 5 . ? 12.134 -29.387 48.740 1.00 45.81 ? 126 HOH G O 1 HETATM 4990 O O . HOH S 5 . ? -0.463 -34.951 62.825 1.00 41.47 ? 127 HOH G O 1 HETATM 4991 O O . HOH S 5 . ? -13.143 -32.264 49.558 1.00 57.78 ? 128 HOH G O 1 HETATM 4992 O O . HOH S 5 . ? -11.818 -26.203 49.840 1.00 60.30 ? 129 HOH G O 1 HETATM 4993 O O . HOH S 5 . ? 7.887 -41.817 57.693 1.00 34.85 ? 130 HOH G O 1 HETATM 4994 O O . HOH S 5 . ? -7.362 -39.976 62.251 1.00 55.64 ? 131 HOH G O 1 HETATM 4995 O O . HOH S 5 . ? -2.750 -32.673 62.587 1.00 48.73 ? 132 HOH G O 1 HETATM 4996 O O . HOH S 5 . ? -18.623 -30.732 58.719 1.00 46.76 ? 133 HOH G O 1 HETATM 4997 O O . HOH S 5 . ? -9.120 -29.308 54.447 1.00 50.34 ? 134 HOH G O 1 HETATM 4998 O O . HOH S 5 . ? -6.879 -38.243 68.119 1.00 50.15 ? 135 HOH G O 1 HETATM 4999 O O . HOH S 5 . ? -7.918 -27.967 55.442 1.00 47.65 ? 136 HOH G O 1 HETATM 5000 O O . HOH S 5 . ? -8.465 -39.026 66.325 1.00 51.27 ? 137 HOH G O 1 HETATM 5001 O O . HOH S 5 . ? -8.308 -30.655 70.464 1.00 58.43 ? 138 HOH G O 1 HETATM 5002 O O . HOH S 5 . ? 9.127 -29.432 45.754 1.00 54.19 ? 139 HOH G O 1 HETATM 5003 O O . HOH S 5 . ? 9.084 -45.728 55.513 1.00 50.45 ? 140 HOH G O 1 HETATM 5004 O O . HOH S 5 . ? -12.972 -32.962 65.191 1.00 50.81 ? 141 HOH G O 1 HETATM 5005 O O . HOH S 5 . ? 15.008 -39.272 45.835 1.00 51.98 ? 142 HOH G O 1 HETATM 5006 O O . HOH T 5 . ? 14.870 -41.880 61.085 1.00 48.34 ? 101 HOH H O 1 HETATM 5007 O O . HOH T 5 . ? 6.786 -39.563 58.903 1.00 32.17 ? 102 HOH H O 1 HETATM 5008 O O . HOH T 5 . ? -9.536 -41.239 51.540 1.00 39.38 ? 103 HOH H O 1 HETATM 5009 O O . HOH T 5 . ? -15.738 -37.647 50.790 1.00 48.43 ? 104 HOH H O 1 HETATM 5010 O O . HOH T 5 . ? 6.844 -29.690 56.183 1.00 58.74 ? 105 HOH H O 1 HETATM 5011 O O . HOH T 5 . ? -18.931 -35.604 60.113 1.00 49.73 ? 106 HOH H O 1 HETATM 5012 O O . HOH T 5 . ? -7.005 -40.048 55.541 1.00 46.60 ? 107 HOH H O 1 HETATM 5013 O O . HOH T 5 . ? 3.685 -35.163 62.301 1.00 39.13 ? 108 HOH H O 1 HETATM 5014 O O . HOH T 5 . ? 18.031 -38.680 50.020 1.00 48.88 ? 109 HOH H O 1 HETATM 5015 O O . HOH T 5 . ? -1.744 -36.437 51.575 1.00 48.07 ? 110 HOH H O 1 HETATM 5016 O O . HOH T 5 . ? 10.194 -31.172 58.811 1.00 48.74 ? 111 HOH H O 1 HETATM 5017 O O . HOH T 5 . ? -2.860 -32.334 49.925 1.00 56.72 ? 112 HOH H O 1 HETATM 5018 O O . HOH T 5 . ? 13.398 -41.554 52.401 1.00 47.45 ? 113 HOH H O 1 HETATM 5019 O O . HOH T 5 . ? -17.495 -39.514 50.390 1.00 49.44 ? 114 HOH H O 1 HETATM 5020 O O . HOH T 5 . ? 0.184 -28.797 51.869 1.00 60.17 ? 115 HOH H O 1 HETATM 5021 O O . HOH T 5 . ? 7.278 -38.273 67.388 1.00 49.00 ? 116 HOH H O 1 HETATM 5022 O O . HOH T 5 . ? 10.633 -42.481 54.079 1.00 54.33 ? 117 HOH H O 1 HETATM 5023 O O . HOH T 5 . ? 7.495 -27.503 59.548 1.00 56.54 ? 118 HOH H O 1 HETATM 5024 O O . HOH T 5 . ? 3.337 -31.390 52.687 1.00 44.32 ? 119 HOH H O 1 HETATM 5025 O O . HOH T 5 . ? 11.688 -33.273 67.100 1.00 55.61 ? 120 HOH H O 1 HETATM 5026 O O . HOH T 5 . ? -10.141 -30.193 51.452 1.00 40.42 ? 121 HOH H O 1 HETATM 5027 O O . HOH T 5 . ? -7.347 -24.845 54.232 1.00 36.93 ? 122 HOH H O 1 HETATM 5028 O O . HOH T 5 . ? -17.100 -43.649 48.476 1.00 46.52 ? 123 HOH H O 1 HETATM 5029 O O . HOH T 5 . ? -8.867 -37.050 42.326 1.00 51.05 ? 124 HOH H O 1 HETATM 5030 O O . HOH T 5 . ? 7.814 -31.748 70.211 1.00 64.50 ? 125 HOH H O 1 HETATM 5031 O O . HOH T 5 . ? -6.533 -24.878 50.531 1.00 52.06 ? 126 HOH H O 1 HETATM 5032 O O . HOH T 5 . ? 16.173 -50.657 53.064 1.00 42.92 ? 127 HOH H O 1 HETATM 5033 O O . HOH T 5 . ? -8.387 -24.900 52.442 1.00 47.71 ? 128 HOH H O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . HIS A 6 ? 0.4100 0.3665 0.3520 0.1003 0.0014 0.0600 14 HIS A N 2 C CA . HIS A 6 ? 0.4216 0.3594 0.3536 0.0886 0.0037 0.0598 14 HIS A CA 3 C C . HIS A 6 ? 0.3422 0.2888 0.2787 0.0737 0.0032 0.0511 14 HIS A C 4 O O . HIS A 6 ? 0.3515 0.2985 0.2927 0.0707 0.0060 0.0437 14 HIS A O 5 C CB . HIS A 6 ? 0.4674 0.3717 0.3908 0.0905 0.0113 0.0603 14 HIS A CB 6 C CG . HIS A 6 ? 0.5045 0.3923 0.4209 0.0761 0.0147 0.0580 14 HIS A CG 7 N ND1 . HIS A 6 ? 0.5210 0.4036 0.4290 0.0719 0.0143 0.0657 14 HIS A ND1 8 C CD2 . HIS A 6 ? 0.5037 0.3816 0.4207 0.0650 0.0187 0.0490 14 HIS A CD2 9 C CE1 . HIS A 6 ? 0.4953 0.3663 0.4006 0.0587 0.0183 0.0616 14 HIS A CE1 10 N NE2 . HIS A 6 ? 0.4741 0.3423 0.3850 0.0541 0.0205 0.0515 14 HIS A NE2 11 N N . VAL A 7 ? 0.3143 0.2682 0.2486 0.0653 -0.0003 0.0522 15 VAL A N 12 C CA . VAL A 7 ? 0.2866 0.2475 0.2251 0.0526 -0.0009 0.0452 15 VAL A CA 13 C C . VAL A 7 ? 0.2778 0.2182 0.2105 0.0447 0.0050 0.0422 15 VAL A C 14 O O . VAL A 7 ? 0.3042 0.2288 0.2282 0.0441 0.0080 0.0470 15 VAL A O 15 C CB . VAL A 7 ? 0.3445 0.3191 0.2826 0.0477 -0.0062 0.0464 15 VAL A CB 16 C CG1 . VAL A 7 ? 0.2983 0.2775 0.2410 0.0364 -0.0064 0.0399 15 VAL A CG1 17 C CG2 . VAL A 7 ? 0.3503 0.3463 0.2949 0.0536 -0.0128 0.0482 15 VAL A CG2 18 N N . PRO A 8 ? 0.2873 0.2292 0.2249 0.0381 0.0066 0.0347 16 PRO A N 19 C CA . PRO A 8 ? 0.2663 0.1917 0.1995 0.0293 0.0113 0.0310 16 PRO A CA 20 C C . PRO A 8 ? 0.2819 0.2075 0.2124 0.0215 0.0113 0.0336 16 PRO A C 21 O O . PRO A 8 ? 0.2713 0.2129 0.2053 0.0198 0.0072 0.0339 16 PRO A O 22 C CB . PRO A 8 ? 0.3346 0.2699 0.2740 0.0236 0.0108 0.0229 16 PRO A CB 23 C CG . PRO A 8 ? 0.3703 0.3213 0.3158 0.0313 0.0082 0.0230 16 PRO A CG 24 C CD . PRO A 8 ? 0.3145 0.2738 0.2611 0.0377 0.0044 0.0299 16 PRO A CD 25 N N . ALA A 9 ? 0.2794 0.1870 0.2038 0.0165 0.0163 0.0349 17 ALA A N 26 C CA . ALA A 9 ? 0.3118 0.2205 0.2338 0.0088 0.0179 0.0375 17 ALA A CA 27 C C . ALA A 9 ? 0.2629 0.1893 0.1930 0.0010 0.0154 0.0316 17 ALA A C 28 O O . ALA A 9 ? 0.2755 0.2114 0.2057 -0.0013 0.0147 0.0332 17 ALA A O 29 C CB . ALA A 9 ? 0.3466 0.2334 0.2631 0.0022 0.0245 0.0392 17 ALA A CB 30 N N . PHE A 10 ? 0.2475 0.1786 0.1838 -0.0022 0.0143 0.0247 18 PHE A N 31 C CA . PHE A 10 ? 0.2436 0.1913 0.1879 -0.0081 0.0115 0.0205 18 PHE A CA 32 C C . PHE A 10 ? 0.2445 0.2064 0.1919 -0.0036 0.0070 0.0226 18 PHE A C 33 O O . PHE A 10 ? 0.2268 0.1973 0.1773 -0.0069 0.0063 0.0220 18 PHE A O 34 C CB . PHE A 10 ? 0.2356 0.1884 0.1842 -0.0099 0.0099 0.0144 18 PHE A CB 35 C CG . PHE A 10 ? 0.2596 0.2298 0.2162 -0.0142 0.0064 0.0119 18 PHE A CG 36 C CD1 . PHE A 10 ? 0.2737 0.2481 0.2337 -0.0224 0.0074 0.0090 18 PHE A CD1 37 C CD2 . PHE A 10 ? 0.2187 0.2013 0.1802 -0.0100 0.0021 0.0132 18 PHE A CD2 38 C CE1 . PHE A 10 ? 0.2675 0.2587 0.2355 -0.0244 0.0038 0.0079 18 PHE A CE1 39 C CE2 . PHE A 10 ? 0.2745 0.2704 0.2432 -0.0129 -0.0011 0.0124 18 PHE A CE2 40 C CZ . PHE A 10 ? 0.2534 0.2536 0.2251 -0.0191 -0.0003 0.0100 18 PHE A CZ 41 N N . LEU A 11 ? 0.2325 0.1966 0.1793 0.0038 0.0041 0.0248 19 LEU A N 42 C CA . LEU A 11 ? 0.2118 0.1893 0.1629 0.0064 -0.0009 0.0252 19 LEU A CA 43 C C . LEU A 11 ? 0.2031 0.1807 0.1480 0.0081 -0.0013 0.0283 19 LEU A C 44 O O . LEU A 11 ? 0.2113 0.1974 0.1586 0.0064 -0.0038 0.0261 19 LEU A O 45 C CB . LEU A 11 ? 0.1933 0.1768 0.1477 0.0124 -0.0039 0.0262 19 LEU A CB 46 C CG . LEU A 11 ? 0.1912 0.1795 0.1514 0.0106 -0.0037 0.0229 19 LEU A CG 47 C CD1 . LEU A 11 ? 0.2058 0.2017 0.1694 0.0170 -0.0052 0.0244 19 LEU A CD1 48 C CD2 . LEU A 11 ? 0.1961 0.1945 0.1633 0.0049 -0.0064 0.0210 19 LEU A CD2 49 N N . THR A 12 ? 0.2265 0.1938 0.1624 0.0119 0.0013 0.0333 20 THR A N 50 C CA . THR A 12 ? 0.2481 0.2165 0.1756 0.0139 0.0012 0.0373 20 THR A CA 51 C C . THR A 12 ? 0.2560 0.2247 0.1821 0.0071 0.0054 0.0357 20 THR A C 52 O O . THR A 12 ? 0.2658 0.2433 0.1896 0.0071 0.0040 0.0341 20 THR A O 53 C CB . THR A 12 ? 0.3280 0.2842 0.2454 0.0201 0.0035 0.0453 20 THR A CB 54 O OG1 . THR A 12 ? 0.3723 0.3333 0.2925 0.0283 -0.0009 0.0468 20 THR A OG1 55 C CG2 . THR A 12 ? 0.4058 0.3640 0.3121 0.0215 0.0040 0.0504 20 THR A CG2 56 N N . LYS A 13 ? 0.2471 0.2078 0.1752 0.0010 0.0103 0.0351 21 LYS A N 57 C CA . LYS A 13 ? 0.2418 0.2067 0.1714 -0.0059 0.0145 0.0335 21 LYS A CA 58 C C . LYS A 13 ? 0.2568 0.2367 0.1959 -0.0069 0.0111 0.0271 21 LYS A C 59 O O . LYS A 13 ? 0.2719 0.2598 0.2105 -0.0076 0.0127 0.0256 21 LYS A O 60 C CB . LYS A 13 ? 0.2730 0.2287 0.2053 -0.0137 0.0196 0.0331 21 LYS A CB 61 C CG . LYS A 13 ? 0.3078 0.2447 0.2303 -0.0138 0.0244 0.0400 21 LYS A CG 62 C CD . LYS A 13 ? 0.3596 0.2865 0.2850 -0.0241 0.0298 0.0386 21 LYS A CD 63 C CE . LYS A 13 ? 0.4033 0.3301 0.3366 -0.0268 0.0270 0.0307 21 LYS A CE 64 N NZ . LYS A 13 ? 0.4445 0.3615 0.3799 -0.0382 0.0317 0.0280 21 LYS A NZ 65 N N . LEU A 14 ? 0.2454 0.2287 0.1926 -0.0063 0.0068 0.0237 22 LEU A N 66 C CA . LEU A 14 ? 0.2138 0.2084 0.1702 -0.0067 0.0035 0.0191 22 LEU A CA 67 C C . LEU A 14 ? 0.2193 0.2186 0.1734 -0.0023 0.0002 0.0177 22 LEU A C 68 O O . LEU A 14 ? 0.2091 0.2145 0.1664 -0.0023 0.0005 0.0141 22 LEU A O 69 C CB . LEU A 14 ? 0.2198 0.2165 0.1834 -0.0069 -0.0002 0.0178 22 LEU A CB 70 C CG . LEU A 14 ? 0.2301 0.2362 0.2032 -0.0070 -0.0037 0.0152 22 LEU A CG 71 C CD1 . LEU A 14 ? 0.2502 0.2631 0.2293 -0.0103 -0.0014 0.0133 22 LEU A CD1 72 C CD2 . LEU A 14 ? 0.2296 0.2378 0.2072 -0.0067 -0.0071 0.0160 22 LEU A CD2 73 N N . TRP A 15 ? 0.1957 0.1927 0.1445 0.0017 -0.0030 0.0197 23 TRP A N 74 C CA . TRP A 15 ? 0.2019 0.2042 0.1481 0.0047 -0.0071 0.0172 23 TRP A CA 75 C C . TRP A 15 ? 0.2216 0.2254 0.1584 0.0053 -0.0037 0.0163 23 TRP A C 76 O O . TRP A 15 ? 0.2098 0.2186 0.1469 0.0059 -0.0049 0.0106 23 TRP A O 77 C CB . TRP A 15 ? 0.2268 0.2299 0.1696 0.0086 -0.0115 0.0202 23 TRP A CB 78 C CG . TRP A 15 ? 0.2333 0.2440 0.1761 0.0098 -0.0175 0.0161 23 TRP A CG 79 C CD1 . TRP A 15 ? 0.2015 0.2170 0.1540 0.0080 -0.0226 0.0128 23 TRP A CD1 80 C CD2 . TRP A 15 ? 0.2392 0.2537 0.1710 0.0120 -0.0191 0.0146 23 TRP A CD2 81 N NE1 . TRP A 15 ? 0.2092 0.2302 0.1585 0.0081 -0.0276 0.0083 23 TRP A NE1 82 C CE2 . TRP A 15 ? 0.2326 0.2540 0.1686 0.0110 -0.0258 0.0088 23 TRP A CE2 83 C CE3 . TRP A 15 ? 0.2568 0.2701 0.1751 0.0143 -0.0153 0.0180 23 TRP A CE3 84 C CZ2 . TRP A 15 ? 0.2655 0.2931 0.1919 0.0123 -0.0295 0.0046 23 TRP A CZ2 85 C CZ3 . TRP A 15 ? 0.2591 0.2795 0.1669 0.0164 -0.0185 0.0151 23 TRP A CZ3 86 C CH2 . TRP A 15 ? 0.2906 0.3184 0.2023 0.0155 -0.0259 0.0076 23 TRP A CH2 87 N N . THR A 16 ? 0.2115 0.2103 0.1395 0.0050 0.0013 0.0220 24 THR A N 88 C CA . THR A 16 ? 0.2601 0.2617 0.1778 0.0052 0.0058 0.0228 24 THR A CA 89 C C . THR A 16 ? 0.2482 0.2560 0.1730 0.0017 0.0104 0.0180 24 THR A C 90 O O . THR A 16 ? 0.2478 0.2628 0.1686 0.0035 0.0120 0.0136 24 THR A O 91 C CB . THR A 16 ? 0.3126 0.3057 0.2198 0.0048 0.0109 0.0321 24 THR A CB 92 O OG1 . THR A 16 ? 0.3300 0.3191 0.2312 0.0105 0.0061 0.0368 24 THR A OG1 93 C CG2 . THR A 16 ? 0.3961 0.3940 0.2919 0.0045 0.0163 0.0341 24 THR A CG2 94 N N . LEU A 17 ? 0.2159 0.2224 0.1514 -0.0025 0.0121 0.0182 25 LEU A N 95 C CA . LEU A 17 ? 0.2486 0.2640 0.1935 -0.0052 0.0158 0.0144 25 LEU A CA 96 C C . LEU A 17 ? 0.2376 0.2592 0.1896 -0.0010 0.0119 0.0071 25 LEU A C 97 O O . LEU A 17 ? 0.2356 0.2652 0.1888 0.0009 0.0154 0.0030 25 LEU A O 98 C CB . LEU A 17 ? 0.2535 0.2679 0.2085 -0.0108 0.0164 0.0157 25 LEU A CB 99 C CG . LEU A 17 ? 0.2489 0.2759 0.2166 -0.0132 0.0182 0.0121 25 LEU A CG 100 C CD1 . LEU A 17 ? 0.2855 0.3216 0.2520 -0.0156 0.0259 0.0126 25 LEU A CD1 101 C CD2 . LEU A 17 ? 0.2312 0.2580 0.2069 -0.0187 0.0168 0.0128 25 LEU A CD2 102 N N . VAL A 18 ? 0.2123 0.2298 0.1693 0.0005 0.0053 0.0058 26 VAL A N 103 C CA . VAL A 18 ? 0.2118 0.2308 0.1754 0.0039 0.0013 -0.0001 26 VAL A CA 104 C C . VAL A 18 ? 0.2235 0.2433 0.1775 0.0074 0.0015 -0.0056 26 VAL A C 105 O O . VAL A 18 ? 0.2432 0.2661 0.2001 0.0106 0.0031 -0.0120 26 VAL A O 106 C CB . VAL A 18 ? 0.1916 0.2056 0.1603 0.0036 -0.0054 0.0009 26 VAL A CB 107 C CG1 . VAL A 18 ? 0.2200 0.2319 0.1944 0.0060 -0.0093 -0.0049 26 VAL A CG1 108 C CG2 . VAL A 18 ? 0.1715 0.1863 0.1483 0.0006 -0.0056 0.0052 26 VAL A CG2 109 N N . SER A 19 ? 0.2243 0.2422 0.1663 0.0075 0.0001 -0.0032 27 SER A N 110 C CA . SER A 19 ? 0.2442 0.2643 0.1750 0.0104 -0.0014 -0.0087 27 SER A CA 111 C C . SER A 19 ? 0.2908 0.3175 0.2131 0.0121 0.0060 -0.0109 27 SER A C 112 O O . SER A 19 ? 0.3315 0.3614 0.2467 0.0152 0.0058 -0.0189 27 SER A O 113 C CB . SER A 19 ? 0.2425 0.2618 0.1628 0.0107 -0.0056 -0.0040 27 SER A CB 114 O OG . SER A 19 ? 0.2608 0.2773 0.1897 0.0096 -0.0123 -0.0032 27 SER A OG 115 N N . ASP A 20 ? 0.2668 0.2963 0.1899 0.0095 0.0128 -0.0044 28 ASP A N 116 C CA . ASP A 20 ? 0.2855 0.3238 0.2013 0.0100 0.0212 -0.0047 28 ASP A CA 117 C C . ASP A 20 ? 0.3137 0.3596 0.2382 0.0137 0.0240 -0.0141 28 ASP A C 118 O O . ASP A 20 ? 0.3149 0.3626 0.2547 0.0131 0.0245 -0.0144 28 ASP A O 119 C CB . ASP A 20 ? 0.2945 0.3334 0.2123 0.0043 0.0277 0.0046 28 ASP A CB 120 C CG . ASP A 20 ? 0.3785 0.4280 0.2889 0.0032 0.0374 0.0065 28 ASP A CG 121 O OD1 . ASP A 20 ? 0.4027 0.4604 0.3058 0.0079 0.0396 -0.0002 28 ASP A OD1 122 O OD2 . ASP A 20 ? 0.3754 0.4250 0.2872 -0.0030 0.0433 0.0143 28 ASP A OD2 123 N N . PRO A 21 ? 0.2974 0.3480 0.2115 0.0183 0.0258 -0.0221 29 PRO A N 124 C CA . PRO A 21 ? 0.3435 0.3995 0.2662 0.0238 0.0289 -0.0322 29 PRO A CA 125 C C . PRO A 21 ? 0.3557 0.4251 0.2886 0.0233 0.0378 -0.0291 29 PRO A C 126 O O . PRO A 21 ? 0.3632 0.4373 0.3098 0.0280 0.0392 -0.0346 29 PRO A O 127 C CB . PRO A 21 ? 0.3798 0.4389 0.2852 0.0282 0.0303 -0.0414 29 PRO A CB 128 C CG . PRO A 21 ? 0.3905 0.4524 0.2783 0.0246 0.0313 -0.0328 29 PRO A CG 129 C CD . PRO A 21 ? 0.3037 0.3558 0.1976 0.0196 0.0252 -0.0228 29 PRO A CD 130 N N . ASP A 22 ? 0.3550 0.4308 0.2825 0.0175 0.0438 -0.0198 30 ASP A N 131 C CA . ASP A 22 ? 0.3274 0.4189 0.2648 0.0150 0.0528 -0.0168 30 ASP A CA 132 C C . ASP A 22 ? 0.2760 0.3693 0.2341 0.0118 0.0501 -0.0140 30 ASP A C 133 O O . ASP A 22 ? 0.2918 0.4014 0.2628 0.0112 0.0559 -0.0141 30 ASP A O 134 C CB . ASP A 22 ? 0.3921 0.4873 0.3176 0.0077 0.0599 -0.0066 30 ASP A CB 135 C CG . ASP A 22 ? 0.4724 0.5722 0.3770 0.0115 0.0644 -0.0086 30 ASP A CG 136 O OD1 . ASP A 22 ? 0.5072 0.6140 0.4095 0.0192 0.0657 -0.0197 30 ASP A OD1 137 O OD2 . ASP A 22 ? 0.5262 0.6220 0.4158 0.0072 0.0666 0.0009 30 ASP A OD2 138 N N . THR A 23 ? 0.2378 0.3168 0.1990 0.0099 0.0414 -0.0118 31 THR A N 139 C CA . THR A 23 ? 0.2233 0.3043 0.2015 0.0070 0.0380 -0.0092 31 THR A CA 140 C C . THR A 23 ? 0.1789 0.2561 0.1676 0.0142 0.0314 -0.0147 31 THR A C 141 O O . THR A 23 ? 0.2043 0.2830 0.2054 0.0129 0.0275 -0.0120 31 THR A O 142 C CB . THR A 23 ? 0.2555 0.3244 0.2306 -0.0005 0.0337 -0.0020 31 THR A CB 143 O OG1 . THR A 23 ? 0.2545 0.3085 0.2199 0.0023 0.0272 -0.0028 31 THR A OG1 144 C CG2 . THR A 23 ? 0.2687 0.3381 0.2356 -0.0082 0.0404 0.0048 31 THR A CG2 145 N N . ASP A 24 ? 0.2325 0.3042 0.2155 0.0215 0.0304 -0.0223 32 ASP A N 146 C CA . ASP A 24 ? 0.2442 0.3057 0.2347 0.0273 0.0237 -0.0268 32 ASP A CA 147 C C . ASP A 24 ? 0.2374 0.3079 0.2460 0.0329 0.0241 -0.0272 32 ASP A C 148 O O . ASP A 24 ? 0.2229 0.2842 0.2394 0.0358 0.0180 -0.0266 32 ASP A O 149 C CB . ASP A 24 ? 0.2592 0.3120 0.2392 0.0330 0.0232 -0.0367 32 ASP A CB 150 C CG . ASP A 24 ? 0.3083 0.3490 0.2746 0.0285 0.0175 -0.0363 32 ASP A CG 151 O OD1 . ASP A 24 ? 0.2900 0.3274 0.2558 0.0224 0.0141 -0.0282 32 ASP A OD1 152 O OD2 . ASP A 24 ? 0.3563 0.3917 0.3123 0.0315 0.0163 -0.0449 32 ASP A OD2 153 N N . ALA A 25 ? 0.1831 0.2728 0.1991 0.0344 0.0313 -0.0272 33 ALA A N 154 C CA . ALA A 25 ? 0.1876 0.2901 0.2225 0.0403 0.0310 -0.0264 33 ALA A CA 155 C C . ALA A 25 ? 0.1652 0.2688 0.2086 0.0341 0.0246 -0.0181 33 ALA A C 156 O O . ALA A 25 ? 0.2070 0.3155 0.2639 0.0396 0.0208 -0.0161 33 ALA A O 157 C CB . ALA A 25 ? 0.2129 0.3405 0.2554 0.0419 0.0401 -0.0277 33 ALA A CB 158 N N . LEU A 26 ? 0.1590 0.2580 0.1938 0.0234 0.0236 -0.0133 34 LEU A N 159 C CA . LEU A 26 ? 0.2011 0.3014 0.2417 0.0171 0.0182 -0.0071 34 LEU A CA 160 C C . LEU A 26 ? 0.1746 0.2553 0.2059 0.0140 0.0119 -0.0047 34 LEU A C 161 O O . LEU A 26 ? 0.1424 0.2225 0.1788 0.0121 0.0065 -0.0006 34 LEU A O 162 C CB . LEU A 26 ? 0.1775 0.2902 0.2186 0.0066 0.0227 -0.0040 34 LEU A CB 163 C CG . LEU A 26 ? 0.1782 0.3166 0.2333 0.0074 0.0282 -0.0050 34 LEU A CG 164 C CD1 . LEU A 26 ? 0.2251 0.3730 0.2805 -0.0058 0.0325 -0.0018 34 LEU A CD1 165 C CD2 . LEU A 26 ? 0.1743 0.3258 0.2460 0.0138 0.0229 -0.0041 34 LEU A CD2 166 N N . ILE A 27 ? 0.1505 0.2178 0.1683 0.0133 0.0126 -0.0069 35 ILE A N 167 C CA . ILE A 27 ? 0.1520 0.2040 0.1625 0.0107 0.0069 -0.0046 35 ILE A CA 168 C C . ILE A 27 ? 0.1750 0.2159 0.1744 0.0134 0.0064 -0.0092 35 ILE A C 169 O O . ILE A 27 ? 0.2060 0.2485 0.1951 0.0128 0.0108 -0.0112 35 ILE A O 170 C CB . ILE A 27 ? 0.1706 0.2215 0.1759 0.0023 0.0073 0.0004 35 ILE A CB 171 C CG1 . ILE A 27 ? 0.1852 0.2234 0.1850 0.0011 0.0018 0.0027 35 ILE A CG1 172 C CG2 . ILE A 27 ? 0.2164 0.2683 0.2119 -0.0014 0.0137 0.0008 35 ILE A CG2 173 C CD1 . ILE A 27 ? 0.2177 0.2535 0.2137 -0.0053 0.0021 0.0066 35 ILE A CD1 174 N N . CYS A 28 ? 0.1826 0.2129 0.1837 0.0159 0.0008 -0.0109 36 CYS A N 175 C CA . CYS A 28 ? 0.2126 0.2337 0.2053 0.0181 -0.0009 -0.0173 36 CYS A CA 176 C C . CYS A 28 ? 0.2335 0.2432 0.2280 0.0160 -0.0078 -0.0162 36 CYS A C 177 O O . CYS A 28 ? 0.2088 0.2174 0.2122 0.0149 -0.0107 -0.0108 36 CYS A O 178 C CB . CYS A 28 ? 0.2454 0.2670 0.2411 0.0254 0.0021 -0.0254 36 CYS A CB 179 S SG . CYS A 28 ? 0.2676 0.2835 0.2798 0.0314 -0.0011 -0.0249 36 CYS A SG 180 N N . TRP A 29 ? 0.2208 0.2242 0.2071 0.0151 -0.0106 -0.0213 37 TRP A N 181 C CA . TRP A 29 ? 0.2272 0.2211 0.2172 0.0122 -0.0169 -0.0215 37 TRP A CA 182 C C . TRP A 29 ? 0.2454 0.2290 0.2451 0.0155 -0.0183 -0.0252 37 TRP A C 183 O O . TRP A 29 ? 0.2622 0.2443 0.2623 0.0215 -0.0150 -0.0318 37 TRP A O 184 C CB . TRP A 29 ? 0.2476 0.2400 0.2271 0.0097 -0.0202 -0.0271 37 TRP A CB 185 C CG . TRP A 29 ? 0.2222 0.2225 0.1928 0.0075 -0.0201 -0.0217 37 TRP A CG 186 C CD1 . TRP A 29 ? 0.2328 0.2389 0.1907 0.0091 -0.0170 -0.0227 37 TRP A CD1 187 C CD2 . TRP A 29 ? 0.1978 0.2003 0.1714 0.0041 -0.0227 -0.0138 37 TRP A CD2 188 N NE1 . TRP A 29 ? 0.2279 0.2377 0.1809 0.0074 -0.0179 -0.0153 37 TRP A NE1 189 C CE2 . TRP A 29 ? 0.1900 0.1979 0.1529 0.0047 -0.0213 -0.0106 37 TRP A CE2 190 C CE3 . TRP A 29 ? 0.2015 0.2023 0.1853 0.0011 -0.0257 -0.0089 37 TRP A CE3 191 C CZ2 . TRP A 29 ? 0.1977 0.2082 0.1607 0.0035 -0.0227 -0.0036 37 TRP A CZ2 192 C CZ3 . TRP A 29 ? 0.1660 0.1719 0.1495 -0.0007 -0.0267 -0.0024 37 TRP A CZ3 193 C CH2 . TRP A 29 ? 0.1732 0.1834 0.1467 0.0010 -0.0253 -0.0004 37 TRP A CH2 194 N N . SER A 30 ? 0.1977 0.1738 0.2051 0.0121 -0.0228 -0.0206 38 SER A N 195 C CA . SER A 30 ? 0.2056 0.1668 0.2209 0.0140 -0.0249 -0.0237 38 SER A CA 196 C C . SER A 30 ? 0.2442 0.1960 0.2529 0.0124 -0.0269 -0.0358 38 SER A C 197 O O . SER A 30 ? 0.2521 0.2110 0.2508 0.0089 -0.0281 -0.0394 38 SER A O 198 C CB . SER A 30 ? 0.2660 0.2220 0.2900 0.0090 -0.0287 -0.0144 38 SER A CB 199 O OG . SER A 30 ? 0.2784 0.2367 0.2990 0.0010 -0.0323 -0.0140 38 SER A OG 200 N N . PRO A 31 ? 0.2645 0.1999 0.2783 0.0153 -0.0275 -0.0424 39 PRO A N 201 C CA . PRO A 31 ? 0.2848 0.2099 0.2916 0.0131 -0.0298 -0.0562 39 PRO A CA 202 C C . PRO A 31 ? 0.3089 0.2360 0.3132 0.0021 -0.0361 -0.0561 39 PRO A C 203 O O . PRO A 31 ? 0.3335 0.2660 0.3271 -0.0004 -0.0381 -0.0653 39 PRO A O 204 C CB . PRO A 31 ? 0.3531 0.2559 0.3691 0.0171 -0.0298 -0.0605 39 PRO A CB 205 C CG . PRO A 31 ? 0.3325 0.2402 0.3567 0.0266 -0.0253 -0.0515 39 PRO A CG 206 C CD . PRO A 31 ? 0.2902 0.2153 0.3154 0.0219 -0.0260 -0.0380 39 PRO A CD 207 N N . SER A 32 ? 0.2660 0.1918 0.2800 -0.0039 -0.0389 -0.0454 40 SER A N 208 C CA . SER A 32 ? 0.3201 0.2507 0.3353 -0.0144 -0.0444 -0.0441 40 SER A CA 209 C C . SER A 32 ? 0.2985 0.2503 0.3058 -0.0151 -0.0448 -0.0401 40 SER A C 210 O O . SER A 32 ? 0.2677 0.2276 0.2741 -0.0218 -0.0495 -0.0412 40 SER A O 211 C CB . SER A 32 ? 0.3503 0.2759 0.3784 -0.0201 -0.0457 -0.0324 40 SER A CB 212 O OG . SER A 32 ? 0.3379 0.2768 0.3671 -0.0167 -0.0427 -0.0202 40 SER A OG 213 N N . GLY A 33 ? 0.2446 0.2052 0.2471 -0.0083 -0.0399 -0.0350 41 GLY A N 214 C CA . GLY A 33 ? 0.2512 0.2279 0.2466 -0.0083 -0.0394 -0.0298 41 GLY A CA 215 C C . GLY A 33 ? 0.2280 0.2119 0.2307 -0.0115 -0.0400 -0.0184 41 GLY A C 216 O O . GLY A 33 ? 0.2335 0.2287 0.2313 -0.0108 -0.0396 -0.0140 41 GLY A O 217 N N . ASN A 34 ? 0.2136 0.1903 0.2272 -0.0143 -0.0405 -0.0133 42 ASN A N 218 C CA . ASN A 34 ? 0.2458 0.2304 0.2659 -0.0177 -0.0407 -0.0029 42 ASN A CA 219 C C . ASN A 34 ? 0.2423 0.2312 0.2621 -0.0132 -0.0364 0.0046 42 ASN A C 220 O O . ASN A 34 ? 0.2037 0.2008 0.2258 -0.0150 -0.0358 0.0119 42 ASN A O 221 C CB . ASN A 34 ? 0.2528 0.2293 0.2840 -0.0243 -0.0431 0.0006 42 ASN A CB 222 C CG . ASN A 34 ? 0.3675 0.3423 0.4015 -0.0320 -0.0481 -0.0062 42 ASN A CG 223 O OD1 . ASN A 34 ? 0.4223 0.4058 0.4495 -0.0321 -0.0506 -0.0128 42 ASN A OD1 224 N ND2 . ASN A 34 ? 0.3639 0.3282 0.4079 -0.0391 -0.0499 -0.0040 42 ASN A ND2 225 N N . SER A 35 ? 0.2299 0.2147 0.2474 -0.0076 -0.0334 0.0022 43 SER A N 226 C CA . SER A 35 ? 0.2066 0.1962 0.2254 -0.0042 -0.0301 0.0083 43 SER A CA 227 C C . SER A 35 ? 0.2031 0.1954 0.2162 0.0008 -0.0264 0.0034 43 SER A C 228 O O . SER A 35 ? 0.2143 0.2030 0.2226 0.0025 -0.0261 -0.0043 43 SER A O 229 C CB . SER A 35 ? 0.2109 0.1937 0.2389 -0.0029 -0.0308 0.0133 43 SER A CB 230 O OG . SER A 35 ? 0.2781 0.2550 0.3118 -0.0083 -0.0338 0.0172 43 SER A OG 231 N N . PHE A 36 ? 0.1967 0.1966 0.2101 0.0024 -0.0236 0.0073 44 PHE A N 232 C CA . PHE A 36 ? 0.1720 0.1760 0.1831 0.0063 -0.0195 0.0034 44 PHE A CA 233 C C . PHE A 36 ? 0.1827 0.1921 0.2023 0.0093 -0.0186 0.0071 44 PHE A C 234 O O . PHE A 36 ? 0.1685 0.1805 0.1926 0.0079 -0.0208 0.0135 44 PHE A O 235 C CB . PHE A 36 ? 0.1934 0.2035 0.1956 0.0042 -0.0163 0.0035 44 PHE A CB 236 C CG . PHE A 36 ? 0.1960 0.2116 0.1988 0.0012 -0.0156 0.0091 44 PHE A CG 237 C CD1 . PHE A 36 ? 0.2289 0.2434 0.2298 -0.0014 -0.0177 0.0125 44 PHE A CD1 238 C CD2 . PHE A 36 ? 0.1983 0.2214 0.2035 0.0007 -0.0126 0.0098 44 PHE A CD2 239 C CE1 . PHE A 36 ? 0.1996 0.2184 0.1995 -0.0036 -0.0166 0.0157 44 PHE A CE1 240 C CE2 . PHE A 36 ? 0.2103 0.2376 0.2148 -0.0029 -0.0122 0.0129 44 PHE A CE2 241 C CZ . PHE A 36 ? 0.2053 0.2293 0.2063 -0.0047 -0.0141 0.0155 44 PHE A CZ 242 N N . HIS A 37 ? 0.1827 0.1958 0.2044 0.0140 -0.0154 0.0029 45 HIS A N 243 C CA . HIS A 37 ? 0.1763 0.1989 0.2075 0.0181 -0.0146 0.0058 45 HIS A CA 244 C C . HIS A 37 ? 0.1578 0.1949 0.1878 0.0156 -0.0106 0.0056 45 HIS A C 245 O O . HIS A 37 ? 0.1984 0.2362 0.2212 0.0138 -0.0066 0.0016 45 HIS A O 246 C CB . HIS A 37 ? 0.1702 0.1885 0.2075 0.0264 -0.0133 0.0011 45 HIS A CB 247 C CG . HIS A 37 ? 0.2348 0.2365 0.2757 0.0288 -0.0172 0.0018 45 HIS A CG 248 N ND1 . HIS A 37 ? 0.2687 0.2683 0.3191 0.0328 -0.0200 0.0091 45 HIS A ND1 249 C CD2 . HIS A 37 ? 0.3105 0.2968 0.3470 0.0268 -0.0189 -0.0034 45 HIS A CD2 250 C CE1 . HIS A 37 ? 0.2925 0.2737 0.3443 0.0330 -0.0226 0.0089 45 HIS A CE1 251 N NE2 . HIS A 37 ? 0.2672 0.2404 0.3111 0.0288 -0.0221 0.0006 45 HIS A NE2 252 N N . VAL A 38 ? 0.1477 0.1966 0.1846 0.0149 -0.0119 0.0103 46 VAL A N 253 C CA . VAL A 38 ? 0.1618 0.2270 0.2021 0.0124 -0.0085 0.0095 46 VAL A CA 254 C C . VAL A 38 ? 0.1581 0.2365 0.2117 0.0198 -0.0089 0.0104 46 VAL A C 255 O O . VAL A 38 ? 0.1670 0.2477 0.2269 0.0233 -0.0137 0.0157 46 VAL A O 256 C CB . VAL A 38 ? 0.1529 0.2242 0.1906 0.0046 -0.0101 0.0126 46 VAL A CB 257 C CG1 . VAL A 38 ? 0.1537 0.2425 0.1972 0.0006 -0.0071 0.0112 46 VAL A CG1 258 C CG2 . VAL A 38 ? 0.1878 0.2463 0.2133 -0.0009 -0.0090 0.0118 46 VAL A CG2 259 N N . PHE A 39 ? 0.1452 0.2333 0.2030 0.0230 -0.0037 0.0059 47 PHE A N 260 C CA . PHE A 39 ? 0.1625 0.2659 0.2345 0.0317 -0.0032 0.0062 47 PHE A CA 261 C C . PHE A 39 ? 0.1683 0.2968 0.2483 0.0265 -0.0012 0.0070 47 PHE A C 262 O O . PHE A 39 ? 0.1699 0.3008 0.2437 0.0174 0.0030 0.0048 47 PHE A O 263 C CB . PHE A 39 ? 0.1824 0.2819 0.2553 0.0403 0.0021 -0.0007 47 PHE A CB 264 C CG . PHE A 39 ? 0.2250 0.3002 0.2915 0.0450 -0.0002 -0.0033 47 PHE A CG 265 C CD1 . PHE A 39 ? 0.2894 0.3552 0.3632 0.0524 -0.0049 0.0005 47 PHE A CD1 266 C CD2 . PHE A 39 ? 0.2476 0.3093 0.3007 0.0413 0.0021 -0.0090 47 PHE A CD2 267 C CE1 . PHE A 39 ? 0.3296 0.3714 0.3984 0.0547 -0.0070 -0.0023 47 PHE A CE1 268 C CE2 . PHE A 39 ? 0.2517 0.2926 0.2997 0.0438 -0.0007 -0.0125 47 PHE A CE2 269 C CZ . PHE A 39 ? 0.3009 0.3311 0.3572 0.0498 -0.0050 -0.0096 47 PHE A CZ 270 N N . ASP A 40 ? 0.1326 0.2796 0.2265 0.0319 -0.0045 0.0106 48 ASP A N 271 C CA . ASP A 40 ? 0.1736 0.3493 0.2786 0.0273 -0.0028 0.0103 48 ASP A CA 272 C C . ASP A 40 ? 0.2040 0.3808 0.3013 0.0121 -0.0034 0.0102 48 ASP A C 273 O O . ASP A 40 ? 0.1843 0.3646 0.2789 0.0036 0.0026 0.0069 48 ASP A O 274 C CB . ASP A 40 ? 0.1625 0.3491 0.2727 0.0304 0.0059 0.0049 48 ASP A CB 275 C CG . ASP A 40 ? 0.2389 0.4599 0.3660 0.0286 0.0077 0.0052 48 ASP A CG 276 O OD1 . ASP A 40 ? 0.2485 0.4845 0.3813 0.0216 0.0021 0.0084 48 ASP A OD1 277 O OD2 . ASP A 40 ? 0.3014 0.5365 0.4364 0.0338 0.0149 0.0016 48 ASP A OD2 278 N N . GLN A 41 ? 0.1947 0.3073 0.2947 -0.0039 -0.0128 -0.0881 49 GLN A N 279 C CA . GLN A 41 ? 0.2652 0.3643 0.3528 -0.0079 -0.0266 -0.0845 49 GLN A CA 280 C C . GLN A 41 ? 0.2367 0.3412 0.3630 -0.0188 -0.0233 -0.0838 49 GLN A C 281 O O . GLN A 41 ? 0.2746 0.3654 0.3875 -0.0261 -0.0233 -0.0785 49 GLN A O 282 C CB . GLN A 41 ? 0.3273 0.4251 0.4080 0.0020 -0.0538 -0.0883 49 GLN A CB 283 C CG . GLN A 41 ? 0.4189 0.5002 0.4513 0.0108 -0.0548 -0.0822 49 GLN A CG 284 C CD . GLN A 41 ? 0.4924 0.5516 0.5113 0.0174 -0.0600 -0.0662 49 GLN A CD 285 O OE1 . GLN A 41 ? 0.5166 0.5746 0.5515 0.0171 -0.0678 -0.0654 49 GLN A OE1 286 N NE2 . GLN A 41 ? 0.5060 0.5500 0.5007 0.0203 -0.0522 -0.0543 49 GLN A NE2 287 N N . GLY A 42 ? 0.2244 0.3487 0.3996 -0.0199 -0.0207 -0.0894 50 GLY A N 288 C CA . GLY A 42 ? 0.2243 0.3555 0.4415 -0.0304 -0.0173 -0.0895 50 GLY A CA 289 C C . GLY A 42 ? 0.2378 0.3602 0.4469 -0.0420 0.0086 -0.0818 50 GLY A C 290 O O . GLY A 42 ? 0.2877 0.4026 0.5048 -0.0514 0.0091 -0.0779 50 GLY A O 291 N N . GLN A 43 ? 0.2145 0.3372 0.4069 -0.0410 0.0300 -0.0797 51 GLN A N 292 C CA . GLN A 43 ? 0.2647 0.3768 0.4422 -0.0502 0.0560 -0.0720 51 GLN A CA 293 C C . GLN A 43 ? 0.2366 0.3231 0.3589 -0.0509 0.0537 -0.0648 51 GLN A C 294 O O . GLN A 43 ? 0.2497 0.3231 0.3626 -0.0601 0.0661 -0.0580 51 GLN A O 295 C CB . GLN A 43 ? 0.2701 0.3893 0.4441 -0.0472 0.0785 -0.0727 51 GLN A CB 296 C CG . GLN A 43 ? 0.3537 0.4666 0.5261 -0.0568 0.1075 -0.0659 51 GLN A CG 297 C CD . GLN A 43 ? 0.4160 0.5443 0.6457 -0.0664 0.1169 -0.0670 51 GLN A CD 298 O OE1 . GLN A 43 ? 0.4418 0.5617 0.6795 -0.0764 0.1201 -0.0619 51 GLN A OE1 299 N NE2 . GLN A 43 ? 0.4674 0.6183 0.7385 -0.0636 0.1211 -0.0738 51 GLN A NE2 300 N N . PHE A 44 ? 0.2022 0.2813 0.2882 -0.0409 0.0385 -0.0664 52 PHE A N 301 C CA . PHE A 44 ? 0.2104 0.2664 0.2461 -0.0403 0.0325 -0.0608 52 PHE A CA 302 C C . PHE A 44 ? 0.2484 0.2955 0.2911 -0.0473 0.0200 -0.0579 52 PHE A C 303 O O . PHE A 44 ? 0.2584 0.2879 0.2767 -0.0540 0.0280 -0.0510 52 PHE A O 304 C CB . PHE A 44 ? 0.1950 0.2478 0.2000 -0.0281 0.0148 -0.0641 52 PHE A CB 305 C CG . PHE A 44 ? 0.2309 0.2611 0.1849 -0.0266 0.0084 -0.0591 52 PHE A CG 306 C CD1 . PHE A 44 ? 0.2404 0.2570 0.1558 -0.0264 0.0244 -0.0550 52 PHE A CD1 307 C CD2 . PHE A 44 ? 0.2657 0.2882 0.2103 -0.0246 -0.0140 -0.0591 52 PHE A CD2 308 C CE1 . PHE A 44 ? 0.3035 0.2996 0.1727 -0.0245 0.0177 -0.0510 52 PHE A CE1 309 C CE2 . PHE A 44 ? 0.2779 0.2802 0.1765 -0.0229 -0.0201 -0.0548 52 PHE A CE2 310 C CZ . PHE A 44 ? 0.2711 0.2605 0.1336 -0.0227 -0.0043 -0.0506 52 PHE A CZ 311 N N . ALA A 45 ? 0.2490 0.3077 0.3251 -0.0455 0.0001 -0.0634 53 ALA A N 312 C CA . ALA A 45 ? 0.2632 0.3149 0.3509 -0.0517 -0.0136 -0.0618 53 ALA A CA 313 C C . ALA A 45 ? 0.2598 0.3108 0.3738 -0.0653 0.0051 -0.0572 53 ALA A C 314 O O . ALA A 45 ? 0.3197 0.3567 0.4262 -0.0722 0.0014 -0.0526 53 ALA A O 315 C CB . ALA A 45 ? 0.2916 0.3574 0.4138 -0.0461 -0.0381 -0.0697 53 ALA A CB 316 N N . LYS A 46 ? 0.2781 0.3435 0.4229 -0.0692 0.0258 -0.0582 54 LYS A N 317 C CA . LYS A 46 ? 0.3339 0.4005 0.5095 -0.0822 0.0444 -0.0541 54 LYS A CA 318 C C . LYS A 46 ? 0.3487 0.3967 0.4877 -0.0882 0.0695 -0.0447 54 LYS A C 319 O O . LYS A 46 ? 0.3997 0.4360 0.5412 -0.0984 0.0779 -0.0385 54 LYS A O 320 C CB . LYS A 46 ? 0.3818 0.4733 0.6121 -0.0841 0.0555 -0.0597 54 LYS A CB 321 C CG . LYS A 46 ? 0.4321 0.5417 0.7062 -0.0799 0.0314 -0.0690 54 LYS A CG 322 C CD . LYS A 46 ? 0.4960 0.6305 0.8227 -0.0807 0.0428 -0.0750 54 LYS A CD 323 C CE . LYS A 46 ? 0.5703 0.7086 0.9331 -0.0946 0.0659 -0.0709 54 LYS A CE 324 N NZ . LYS A 46 ? 0.6006 0.7419 1.0037 -0.1021 0.0512 -0.0731 54 LYS A NZ 325 N N . GLU A 47 ? 0.3080 0.3522 0.4127 -0.0815 0.0812 -0.0437 55 GLU A N 326 C CA . GLU A 47 ? 0.4048 0.4315 0.4739 -0.0854 0.1059 -0.0357 55 GLU A CA 327 C C . GLU A 47 ? 0.4281 0.4296 0.4374 -0.0817 0.0977 -0.0309 55 GLU A C 328 O O . GLU A 47 ? 0.5458 0.5279 0.5294 -0.0878 0.1110 -0.0232 55 GLU A O 329 C CB . GLU A 47 ? 0.4994 0.5353 0.5651 -0.0801 0.1251 -0.0376 55 GLU A CB 330 C CG . GLU A 47 ? 0.5903 0.6508 0.7132 -0.0834 0.1365 -0.0421 55 GLU A CG 331 C CD . GLU A 47 ? 0.6835 0.7475 0.7992 -0.0812 0.1630 -0.0412 55 GLU A CD 332 O OE1 . GLU A 47 ? 0.6857 0.7683 0.8218 -0.0745 0.1620 -0.0481 55 GLU A OE1 333 O OE2 . GLU A 47 ? 0.7413 0.7886 0.8301 -0.0858 0.1848 -0.0335 55 GLU A OE2 334 N N . VAL A 48 ? 0.3181 0.3195 0.3051 -0.0714 0.0762 -0.0354 56 VAL A N 335 C CA . VAL A 48 ? 0.3699 0.3490 0.2998 -0.0666 0.0701 -0.0317 56 VAL A CA 336 C C . VAL A 48 ? 0.3502 0.3167 0.2685 -0.0685 0.0489 -0.0299 56 VAL A C 337 O O . VAL A 48 ? 0.3695 0.3143 0.2534 -0.0719 0.0525 -0.0235 56 VAL A O 338 C CB . VAL A 48 ? 0.3585 0.3421 0.2651 -0.0541 0.0611 -0.0370 56 VAL A CB 339 C CG1 . VAL A 48 ? 0.4040 0.3648 0.2530 -0.0496 0.0571 -0.0333 56 VAL A CG1 340 C CG2 . VAL A 48 ? 0.3753 0.3717 0.2941 -0.0517 0.0809 -0.0394 56 VAL A CG2 341 N N . LEU A 49 ? 0.3143 0.2933 0.2601 -0.0656 0.0266 -0.0356 57 LEU A N 342 C CA . LEU A 49 ? 0.3386 0.3060 0.2728 -0.0657 0.0044 -0.0347 57 LEU A CA 343 C C . LEU A 49 ? 0.3731 0.3266 0.3111 -0.0774 0.0113 -0.0281 57 LEU A C 344 O O . LEU A 49 ? 0.4077 0.3411 0.3103 -0.0778 0.0040 -0.0238 57 LEU A O 345 C CB . LEU A 49 ? 0.3318 0.3157 0.3007 -0.0609 -0.0190 -0.0423 57 LEU A CB 346 C CG . LEU A 49 ? 0.3403 0.3328 0.2976 -0.0478 -0.0331 -0.0483 57 LEU A CG 347 C CD1 . LEU A 49 ? 0.3718 0.3776 0.3626 -0.0433 -0.0563 -0.0551 57 LEU A CD1 348 C CD2 . LEU A 49 ? 0.3609 0.3350 0.2635 -0.0411 -0.0412 -0.0455 57 LEU A CD2 349 N N . PRO A 50 ? 0.3594 0.3232 0.3412 -0.0870 0.0254 -0.0274 58 PRO A N 350 C CA . PRO A 50 ? 0.3973 0.3476 0.3854 -0.0988 0.0328 -0.0208 58 PRO A CA 351 C C . PRO A 50 ? 0.4437 0.3691 0.3831 -0.1018 0.0505 -0.0118 58 PRO A C 352 O O . PRO A 50 ? 0.4752 0.3825 0.4005 -0.1080 0.0480 -0.0063 58 PRO A O 353 C CB . PRO A 50 ? 0.4037 0.3721 0.4477 -0.1075 0.0496 -0.0219 58 PRO A CB 354 C CG . PRO A 50 ? 0.3771 0.3702 0.4526 -0.0997 0.0386 -0.0313 58 PRO A CG 355 C CD . PRO A 50 ? 0.3261 0.3151 0.3571 -0.0874 0.0329 -0.0330 58 PRO A CD 356 N N . LYS A 51 ? 0.4540 0.3775 0.3673 -0.0970 0.0673 -0.0107 59 LYS A N 357 C CA . LYS A 51 ? 0.4866 0.3857 0.3521 -0.0986 0.0841 -0.0027 59 LYS A CA 358 C C . LYS A 51 ? 0.5010 0.3827 0.3125 -0.0897 0.0677 -0.0027 59 LYS A C 359 O O . LYS A 51 ? 0.5701 0.4284 0.3463 -0.0922 0.0691 0.0034 59 LYS A O 360 C CB . LYS A 51 ? 0.5349 0.4379 0.3957 -0.0974 0.1108 -0.0015 59 LYS A CB 361 C CG . LYS A 51 ? 0.6165 0.4931 0.4226 -0.0965 0.1270 0.0058 59 LYS A CG 362 C CD . LYS A 51 ? 0.6353 0.5174 0.4409 -0.0922 0.1494 0.0061 59 LYS A CD 363 C CE . LYS A 51 ? 0.6637 0.5317 0.4399 -0.0800 0.1444 0.0098 59 LYS A CE 364 N NZ . LYS A 51 ? 0.7304 0.5789 0.4956 -0.0869 0.1492 0.0168 59 LYS A NZ 365 N N . TYR A 52 ? 0.4493 0.3422 0.2550 -0.0792 0.0524 -0.0095 60 TYR A N 366 C CA . TYR A 52 ? 0.4308 0.3091 0.1864 -0.0700 0.0400 -0.0099 60 TYR A CA 367 C C . TYR A 52 ? 0.4145 0.2952 0.1775 -0.0640 0.0111 -0.0121 60 TYR A C 368 O O . TYR A 52 ? 0.4577 0.3443 0.2339 -0.0496 0.0013 -0.0083 60 TYR A O 369 C CB . TYR A 52 ? 0.4582 0.3569 0.2302 -0.0549 0.0387 -0.0135 60 TYR A CB 370 C CG . TYR A 52 ? 0.4964 0.3957 0.2682 -0.0549 0.0615 -0.0110 60 TYR A CG 371 C CD1 . TYR A 52 ? 0.5445 0.4418 0.3137 -0.0451 0.0604 -0.0061 60 TYR A CD1 372 C CD2 . TYR A 52 ? 0.4900 0.3972 0.2728 -0.0646 0.0844 -0.0141 60 TYR A CD2 373 C CE1 . TYR A 52 ? 0.5591 0.4574 0.3278 -0.0440 0.0770 -0.0041 60 TYR A CE1 374 C CE2 . TYR A 52 ? 0.4995 0.4096 0.2896 -0.0617 0.1026 -0.0111 60 TYR A CE2 375 C CZ . TYR A 52 ? 0.5667 0.4700 0.3446 -0.0513 0.0971 -0.0061 60 TYR A CZ 376 O OH . TYR A 52 ? 0.6012 0.5067 0.3818 -0.0487 0.1121 -0.0037 60 TYR A OH 377 N N . PHE A 53 ? 0.3624 0.2539 0.2481 -0.0049 -0.0102 0.0535 61 PHE A N 378 C CA . PHE A 53 ? 0.3641 0.2383 0.2415 -0.0102 -0.0074 0.0427 61 PHE A CA 379 C C . PHE A 53 ? 0.3524 0.2128 0.2228 -0.0280 -0.0061 0.0400 61 PHE A C 380 O O . PHE A 53 ? 0.3885 0.2544 0.2558 -0.0390 -0.0092 0.0333 61 PHE A O 381 C CB . PHE A 53 ? 0.3221 0.2139 0.2013 -0.0094 -0.0125 0.0362 61 PHE A CB 382 C CG . PHE A 53 ? 0.3285 0.2353 0.2157 0.0072 -0.0147 0.0386 61 PHE A CG 383 C CD1 . PHE A 53 ? 0.3694 0.2644 0.2552 0.0192 -0.0101 0.0347 61 PHE A CD1 384 C CD2 . PHE A 53 ? 0.3543 0.2874 0.2509 0.0112 -0.0218 0.0442 61 PHE A CD2 385 C CE1 . PHE A 53 ? 0.3481 0.2576 0.2421 0.0344 -0.0124 0.0367 61 PHE A CE1 386 C CE2 . PHE A 53 ? 0.3630 0.3099 0.2678 0.0266 -0.0244 0.0461 61 PHE A CE2 387 C CZ . PHE A 53 ? 0.3232 0.2581 0.2268 0.0379 -0.0196 0.0424 61 PHE A CZ 388 N N . LYS A 54 ? 0.4606 0.3033 0.3288 -0.0309 -0.0017 0.0453 62 LYS A N 389 C CA . LYS A 54 ? 0.4621 0.2979 0.3271 -0.0483 -0.0018 0.0461 62 LYS A CA 390 C C . LYS A 54 ? 0.4985 0.3198 0.3552 -0.0617 -0.0013 0.0349 62 LYS A C 391 O O . LYS A 54 ? 0.5527 0.3776 0.4085 -0.0768 -0.0037 0.0342 62 LYS A O 392 C CB . LYS A 54 ? 0.5625 0.3790 0.4267 -0.0482 0.0032 0.0545 62 LYS A CB 393 C CG . LYS A 54 ? 0.6241 0.4115 0.4823 -0.0394 0.0093 0.0511 62 LYS A CG 394 C CD . LYS A 54 ? 0.7119 0.4814 0.5697 -0.0391 0.0134 0.0610 62 LYS A CD 395 C CE . LYS A 54 ? 0.8007 0.5651 0.6572 -0.0579 0.0128 0.0639 62 LYS A CE 396 N NZ . LYS A 54 ? 0.8475 0.5936 0.7034 -0.0588 0.0168 0.0743 62 LYS A NZ 397 N N . HIS A 55 ? 0.4430 0.2490 0.2937 -0.0566 0.0018 0.0258 63 HIS A N 398 C CA . HIS A 55 ? 0.4620 0.2551 0.3045 -0.0692 0.0022 0.0147 63 HIS A CA 399 C C . HIS A 55 ? 0.4057 0.2189 0.2474 -0.0722 -0.0026 0.0076 63 HIS A C 400 O O . HIS A 55 ? 0.4364 0.2422 0.2708 -0.0809 -0.0025 -0.0024 63 HIS A O 401 C CB . HIS A 55 ? 0.5073 0.2712 0.3425 -0.0640 0.0081 0.0074 63 HIS A CB 402 C CG . HIS A 55 ? 0.5412 0.2828 0.3764 -0.0606 0.0125 0.0143 63 HIS A CG 403 N ND1 . HIS A 55 ? 0.5465 0.2740 0.3802 -0.0736 0.0131 0.0177 63 HIS A ND1 404 C CD2 . HIS A 55 ? 0.5901 0.3209 0.4266 -0.0457 0.0162 0.0188 63 HIS A CD2 405 C CE1 . HIS A 55 ? 0.5783 0.2867 0.4121 -0.0671 0.0170 0.0245 63 HIS A CE1 406 N NE2 . HIS A 55 ? 0.5757 0.2858 0.4111 -0.0499 0.0189 0.0252 63 HIS A NE2 407 N N . ASN A 56 ? 0.3678 0.2065 0.2169 -0.0651 -0.0071 0.0127 64 ASN A N 408 C CA . ASN A 56 ? 0.3638 0.2217 0.2129 -0.0661 -0.0121 0.0073 64 ASN A CA 409 C C . ASN A 56 ? 0.3666 0.2447 0.2182 -0.0783 -0.0191 0.0090 64 ASN A C 410 O O . ASN A 56 ? 0.4049 0.2897 0.2615 -0.0821 -0.0209 0.0165 64 ASN A O 411 C CB . ASN A 56 ? 0.3865 0.2599 0.2426 -0.0500 -0.0137 0.0111 64 ASN A CB 412 C CG . ASN A 56 ? 0.4271 0.2848 0.2801 -0.0382 -0.0077 0.0065 64 ASN A CG 413 O OD1 . ASN A 56 ? 0.5026 0.3468 0.3570 -0.0290 -0.0032 0.0105 64 ASN A OD1 414 N ND2 . ASN A 56 ? 0.4223 0.2819 0.2708 -0.0383 -0.0078 -0.0021 64 ASN A ND2 415 N N . ASN A 57 ? 0.3570 0.2450 0.2049 -0.0843 -0.0231 0.0020 65 ASN A N 416 C CA . ASN A 57 ? 0.3532 0.2659 0.2053 -0.0910 -0.0314 0.0042 65 ASN A CA 417 C C . ASN A 57 ? 0.3377 0.2689 0.1943 -0.0805 -0.0359 0.0049 65 ASN A C 418 O O . ASN A 57 ? 0.3165 0.2417 0.1738 -0.0686 -0.0321 0.0044 65 ASN A O 419 C CB . ASN A 57 ? 0.3493 0.2600 0.1937 -0.1075 -0.0337 -0.0035 65 ASN A CB 420 C CG . ASN A 57 ? 0.3793 0.2784 0.2140 -0.1089 -0.0308 -0.0140 65 ASN A CG 421 O OD1 . ASN A 57 ? 0.3554 0.2558 0.1901 -0.0983 -0.0292 -0.0154 65 ASN A OD1 422 N ND2 . ASN A 57 ? 0.3853 0.2739 0.2120 -0.1220 -0.0302 -0.0216 65 ASN A ND2 423 N N . MET A 58 ? 0.3163 0.2697 0.1766 -0.0845 -0.0442 0.0061 66 MET A N 424 C CA . MET A 58 ? 0.3173 0.2872 0.1828 -0.0745 -0.0490 0.0074 66 MET A CA 425 C C . MET A 58 ? 0.3149 0.2769 0.1728 -0.0738 -0.0461 -0.0003 66 MET A C 426 O O . MET A 58 ? 0.3213 0.2866 0.1826 -0.0624 -0.0452 0.0004 66 MET A O 427 C CB . MET A 58 ? 0.3310 0.3252 0.2037 -0.0781 -0.0582 0.0098 66 MET A CB 428 C CG . MET A 58 ? 0.3118 0.3215 0.2023 -0.0617 -0.0582 0.0115 66 MET A CG 429 S SD . MET A 58 ? 0.4468 0.4619 0.3449 -0.0465 -0.0591 0.0193 66 MET A SD 430 C CE . MET A 58 ? 0.3588 0.3786 0.2592 -0.0534 -0.0607 0.0248 66 MET A CE 431 N N . ALA A 59 ? 0.3314 0.2839 0.1792 -0.0861 -0.0445 -0.0079 67 ALA A N 432 C CA . ALA A 59 ? 0.4077 0.3547 0.2475 -0.0866 -0.0419 -0.0157 67 ALA A CA 433 C C . ALA A 59 ? 0.3957 0.3257 0.2342 -0.0758 -0.0333 -0.0179 67 ALA A C 434 O O . ALA A 59 ? 0.3757 0.3094 0.2142 -0.0680 -0.0321 -0.0199 67 ALA A O 435 C CB . ALA A 59 ? 0.4449 0.3839 0.2738 -0.1014 -0.0415 -0.0239 67 ALA A CB 436 N N . SER A 60 ? 0.3597 0.2712 0.1972 -0.0752 -0.0276 -0.0173 68 SER A N 437 C CA . SER A 60 ? 0.3945 0.2879 0.2299 -0.0650 -0.0197 -0.0201 68 SER A CA 438 C C . SER A 60 ? 0.3568 0.2586 0.2022 -0.0492 -0.0198 -0.0128 68 SER A C 439 O O . SER A 60 ? 0.3435 0.2390 0.1887 -0.0386 -0.0152 -0.0154 68 SER A O 440 C CB . SER A 60 ? 0.3759 0.2452 0.2070 -0.0694 -0.0141 -0.0216 68 SER A CB 441 O OG . SER A 60 ? 0.3828 0.2528 0.2212 -0.0671 -0.0149 -0.0121 68 SER A OG 442 N N . PHE A 61 ? 0.3061 0.2231 0.1604 -0.0473 -0.0252 -0.0040 69 PHE A N 443 C CA . PHE A 61 ? 0.2875 0.2154 0.1521 -0.0322 -0.0265 0.0028 69 PHE A CA 444 C C . PHE A 61 ? 0.2869 0.2287 0.1537 -0.0268 -0.0296 0.0002 69 PHE A C 445 O O . PHE A 61 ? 0.2554 0.1957 0.1256 -0.0144 -0.0265 0.0000 69 PHE A O 446 C CB . PHE A 61 ? 0.2710 0.2150 0.1443 -0.0323 -0.0327 0.0117 69 PHE A CB 447 C CG . PHE A 61 ? 0.2586 0.2178 0.1430 -0.0173 -0.0359 0.0182 69 PHE A CG 448 C CD1 . PHE A 61 ? 0.2775 0.2286 0.1660 -0.0049 -0.0311 0.0227 69 PHE A CD1 449 C CD2 . PHE A 61 ? 0.2552 0.2369 0.1463 -0.0155 -0.0444 0.0198 69 PHE A CD2 450 C CE1 . PHE A 61 ? 0.3170 0.2827 0.2159 0.0091 -0.0344 0.0281 69 PHE A CE1 451 C CE2 . PHE A 61 ? 0.2656 0.2613 0.1676 -0.0014 -0.0480 0.0251 69 PHE A CE2 452 C CZ . PHE A 61 ? 0.2649 0.2529 0.1708 0.0109 -0.0429 0.0290 69 PHE A CZ 453 N N . VAL A 62 ? 0.2642 0.2192 0.1289 -0.0366 -0.0358 -0.0018 70 VAL A N 454 C CA . VAL A 62 ? 0.3072 0.2758 0.1738 -0.0331 -0.0394 -0.0034 70 VAL A CA 455 C C . VAL A 62 ? 0.3249 0.2812 0.1832 -0.0322 -0.0323 -0.0116 70 VAL A C 456 O O . VAL A 62 ? 0.2823 0.2452 0.1440 -0.0238 -0.0318 -0.0121 70 VAL A O 457 C CB . VAL A 62 ? 0.3207 0.3056 0.1862 -0.0443 -0.0483 -0.0031 70 VAL A CB 458 C CG1 . VAL A 62 ? 0.3645 0.3606 0.2353 -0.0408 -0.0491 -0.0054 70 VAL A CG1 459 C CG2 . VAL A 62 ? 0.3243 0.3254 0.2059 -0.0394 -0.0536 0.0044 70 VAL A CG2 460 N N . ARG A 63 ? 0.3119 0.2507 0.1597 -0.0404 -0.0268 -0.0182 71 ARG A N 461 C CA . ARG A 63 ? 0.3356 0.2622 0.1754 -0.0388 -0.0197 -0.0269 71 ARG A CA 462 C C . ARG A 63 ? 0.2955 0.2137 0.1401 -0.0234 -0.0138 -0.0262 71 ARG A C 463 O O . ARG A 63 ? 0.3286 0.2474 0.1718 -0.0174 -0.0103 -0.0309 71 ARG A O 464 C CB . ARG A 63 ? 0.3788 0.2865 0.2073 -0.0494 -0.0154 -0.0345 71 ARG A CB 465 C CG . ARG A 63 ? 0.4619 0.3566 0.2818 -0.0471 -0.0081 -0.0447 71 ARG A CG 466 C CD . ARG A 63 ? 0.5519 0.4248 0.3621 -0.0553 -0.0037 -0.0523 71 ARG A CD 467 N NE . ARG A 63 ? 0.5888 0.4651 0.3956 -0.0700 -0.0087 -0.0521 71 ARG A NE 468 C CZ . ARG A 63 ? 0.5631 0.4270 0.3697 -0.0764 -0.0088 -0.0503 71 ARG A CZ 469 N NH1 . ARG A 63 ? 0.5174 0.3636 0.3265 -0.0695 -0.0040 -0.0482 71 ARG A NH1 470 N NH2 . ARG A 63 ? 0.5862 0.4557 0.3902 -0.0898 -0.0136 -0.0505 71 ARG A NH2 471 N N . GLN A 64 ? 0.3048 0.2153 0.1549 -0.0171 -0.0126 -0.0204 72 GLN A N 472 C CA . GLN A 64 ? 0.3286 0.2307 0.1831 -0.0019 -0.0074 -0.0193 72 GLN A CA 473 C C . GLN A 64 ? 0.3149 0.2360 0.1797 0.0093 -0.0110 -0.0150 72 GLN A C 474 O O . GLN A 64 ? 0.2863 0.2050 0.1530 0.0201 -0.0067 -0.0179 72 GLN A O 475 C CB . GLN A 64 ? 0.4075 0.2974 0.2648 0.0015 -0.0056 -0.0132 72 GLN A CB 476 C CG . GLN A 64 ? 0.4815 0.3462 0.3290 -0.0050 0.0003 -0.0189 72 GLN A CG 477 C CD . GLN A 64 ? 0.5355 0.3875 0.3853 -0.0030 0.0019 -0.0120 72 GLN A CD 478 O OE1 . GLN A 64 ? 0.5957 0.4508 0.4463 -0.0127 -0.0014 -0.0072 72 GLN A OE1 479 N NE2 . GLN A 64 ? 0.5037 0.3417 0.3547 0.0095 0.0071 -0.0113 72 GLN A NE2 480 N N . LEU A 65 ? 0.2807 0.2210 0.1527 0.0068 -0.0191 -0.0085 73 LEU A N 481 C CA . LEU A 65 ? 0.2621 0.2211 0.1442 0.0161 -0.0238 -0.0050 73 LEU A CA 482 C C . LEU A 65 ? 0.2612 0.2240 0.1389 0.0142 -0.0220 -0.0116 73 LEU A C 483 O O . LEU A 65 ? 0.2474 0.2141 0.1303 0.0249 -0.0199 -0.0124 73 LEU A O 484 C CB . LEU A 65 ? 0.2171 0.1958 0.1065 0.0122 -0.0339 0.0018 73 LEU A CB 485 C CG . LEU A 65 ? 0.2387 0.2200 0.1347 0.0156 -0.0369 0.0093 73 LEU A CG 486 C CD1 . LEU A 65 ? 0.2367 0.2394 0.1395 0.0112 -0.0476 0.0141 73 LEU A CD1 487 C CD2 . LEU A 65 ? 0.2162 0.1960 0.1206 0.0322 -0.0342 0.0131 73 LEU A CD2 488 N N . ASN A 66 ? 0.2457 0.2076 0.1137 0.0005 -0.0226 -0.0164 74 ASN A N 489 C CA . ASN A 66 ? 0.2710 0.2382 0.1338 -0.0027 -0.0210 -0.0223 74 ASN A CA 490 C C . ASN A 66 ? 0.2876 0.2411 0.1459 0.0048 -0.0115 -0.0297 74 ASN A C 491 O O . ASN A 66 ? 0.2965 0.2576 0.1569 0.0104 -0.0095 -0.0321 74 ASN A O 492 C CB . ASN A 66 ? 0.2923 0.2604 0.1444 -0.0188 -0.0233 -0.0263 74 ASN A CB 493 C CG . ASN A 66 ? 0.3402 0.3168 0.1867 -0.0228 -0.0224 -0.0313 74 ASN A CG 494 O OD1 . ASN A 66 ? 0.3205 0.3143 0.1727 -0.0224 -0.0282 -0.0269 74 ASN A OD1 495 N ND2 . ASN A 66 ? 0.3610 0.3258 0.1964 -0.0266 -0.0153 -0.0404 74 ASN A ND2 496 N N . MET A 67 ? 0.2843 0.2176 0.1371 0.0052 -0.0059 -0.0330 75 MET A N 497 C CA . MET A 67 ? 0.3376 0.2556 0.1855 0.0125 0.0028 -0.0408 75 MET A CA 498 C C . MET A 67 ? 0.3382 0.2604 0.1961 0.0289 0.0048 -0.0382 75 MET A C 499 O O . MET A 67 ? 0.3421 0.2612 0.1981 0.0357 0.0104 -0.0448 75 MET A O 500 C CB . MET A 67 ? 0.4026 0.2970 0.2440 0.0102 0.0070 -0.0435 75 MET A CB 501 C CG . MET A 67 ? 0.4573 0.3342 0.2944 0.0191 0.0151 -0.0514 75 MET A CG 502 S SD . MET A 67 ? 0.5437 0.3912 0.3734 0.0153 0.0189 -0.0539 75 MET A SD 503 C CE . MET A 67 ? 0.4395 0.2867 0.2803 0.0242 0.0163 -0.0410 75 MET A CE 504 N N . TYR A 68 ? 0.2812 0.2176 0.1495 -0.0075 -0.0146 0.0072 76 TYR A N 505 C CA . TYR A 68 ? 0.2707 0.2151 0.1796 -0.0022 -0.0127 -0.0023 76 TYR A CA 506 C C . TYR A 68 ? 0.2249 0.1731 0.1720 0.0037 -0.0042 0.0002 76 TYR A C 507 O O . TYR A 68 ? 0.2569 0.2141 0.2418 0.0080 -0.0047 -0.0073 76 TYR A O 508 C CB . TYR A 68 ? 0.2436 0.2082 0.1633 -0.0031 -0.0294 -0.0122 76 TYR A CB 509 C CG . TYR A 68 ? 0.2653 0.2255 0.1584 -0.0074 -0.0352 -0.0175 76 TYR A CG 510 C CD1 . TYR A 68 ? 0.3051 0.2530 0.2002 -0.0061 -0.0264 -0.0219 76 TYR A CD1 511 C CD2 . TYR A 68 ? 0.2738 0.2456 0.1474 -0.0119 -0.0466 -0.0170 76 TYR A CD2 512 C CE1 . TYR A 68 ? 0.3056 0.2487 0.1759 -0.0098 -0.0312 -0.0265 76 TYR A CE1 513 C CE2 . TYR A 68 ? 0.2524 0.2350 0.1325 -0.0116 -0.0417 -0.0193 76 TYR A CE2 514 C CZ . TYR A 68 ? 0.2959 0.2609 0.1664 -0.0123 -0.0378 -0.0239 76 TYR A CZ 515 O OH . TYR A 68 ? 0.3102 0.2870 0.1887 -0.0116 -0.0344 -0.0250 76 TYR A OH 516 N N . GLY A 69 ? 0.2311 0.1718 0.1680 0.0039 0.0032 0.0109 77 GLY A N 517 C CA . GLY A 69 ? 0.2597 0.2017 0.2305 0.0095 0.0128 0.0146 77 GLY A CA 518 C C . GLY A 69 ? 0.2189 0.1806 0.2160 0.0116 0.0032 0.0127 77 GLY A C 519 O O . GLY A 69 ? 0.2197 0.1839 0.2511 0.0165 0.0100 0.0135 77 GLY A O 520 N N . PHE A 70 ? 0.1994 0.1749 0.1820 0.0083 -0.0122 0.0105 78 PHE A N 521 C CA . PHE A 70 ? 0.1882 0.1809 0.1909 0.0106 -0.0205 0.0106 78 PHE A CA 522 C C . PHE A 70 ? 0.2336 0.2212 0.2306 0.0115 -0.0124 0.0231 78 PHE A C 523 O O . PHE A 70 ? 0.2556 0.2296 0.2205 0.0083 -0.0066 0.0319 78 PHE A O 524 C CB . PHE A 70 ? 0.1745 0.1823 0.1599 0.0071 -0.0376 0.0077 78 PHE A CB 525 C CG . PHE A 70 ? 0.1577 0.1747 0.1555 0.0077 -0.0472 -0.0052 78 PHE A CG 526 C CD1 . PHE A 70 ? 0.1819 0.1902 0.1638 0.0048 -0.0464 -0.0101 78 PHE A CD1 527 C CD2 . PHE A 70 ? 0.1629 0.1966 0.1864 0.0114 -0.0570 -0.0122 78 PHE A CD2 528 C CE1 . PHE A 70 ? 0.1979 0.2147 0.1906 0.0056 -0.0552 -0.0215 78 PHE A CE1 529 C CE2 . PHE A 70 ? 0.1764 0.2178 0.2097 0.0122 -0.0661 -0.0239 78 PHE A CE2 530 C CZ . PHE A 70 ? 0.1682 0.2017 0.1864 0.0093 -0.0653 -0.0285 78 PHE A CZ 531 N N . ARG A 71 ? 0.2014 0.1988 0.2286 0.0161 -0.0122 0.0237 79 ARG A N 532 C CA . ARG A 71 ? 0.1969 0.1923 0.2207 0.0174 -0.0061 0.0354 79 ARG A CA 533 C C . ARG A 71 ? 0.1890 0.2024 0.2149 0.0176 -0.0186 0.0367 79 ARG A C 534 O O . ARG A 71 ? 0.1912 0.2181 0.2239 0.0175 -0.0311 0.0281 79 ARG A O 535 C CB . ARG A 71 ? 0.2202 0.2093 0.2786 0.0230 0.0078 0.0370 79 ARG A CB 536 C CG . ARG A 71 ? 0.2501 0.2224 0.3120 0.0238 0.0209 0.0356 79 ARG A CG 537 C CD . ARG A 71 ? 0.4311 0.3859 0.4806 0.0250 0.0373 0.0477 79 ARG A CD 538 N NE . ARG A 71 ? 0.5085 0.4468 0.5575 0.0259 0.0500 0.0469 79 ARG A NE 539 C CZ . ARG A 71 ? 0.5654 0.4963 0.6453 0.0308 0.0640 0.0482 79 ARG A CZ 540 N NH1 . ARG A 71 ? 0.5056 0.4435 0.6198 0.0349 0.0673 0.0500 79 ARG A NH1 541 N NH2 . ARG A 71 ? 0.6005 0.5166 0.6774 0.0316 0.0754 0.0481 79 ARG A NH2 542 N N . LYS A 72 ? 0.2244 0.2377 0.2439 0.0184 -0.0148 0.0479 80 LYS A N 543 C CA . LYS A 72 ? 0.1843 0.2141 0.2075 0.0195 -0.0245 0.0513 80 LYS A CA 544 C C . LYS A 72 ? 0.1769 0.2105 0.2373 0.0261 -0.0180 0.0517 80 LYS A C 545 O O . LYS A 72 ? 0.2353 0.2571 0.3075 0.0286 -0.0043 0.0561 80 LYS A O 546 C CB . LYS A 72 ? 0.2666 0.2948 0.2543 0.0152 -0.0264 0.0645 80 LYS A CB 547 C CG . LYS A 72 ? 0.3416 0.3874 0.3306 0.0160 -0.0364 0.0696 80 LYS A CG 548 C CD . LYS A 72 ? 0.3809 0.4271 0.3307 0.0098 -0.0429 0.0807 80 LYS A CD 549 C CE . LYS A 72 ? 0.4394 0.4671 0.3670 0.0077 -0.0316 0.0909 80 LYS A CE 550 N NZ . LYS A 72 ? 0.4979 0.5227 0.3930 0.0022 -0.0371 0.0960 80 LYS A NZ 551 N N . VAL A 73 ? 0.1755 0.2247 0.2543 0.0291 -0.0276 0.0470 81 VAL A N 552 C CA . VAL A 73 ? 0.1648 0.2180 0.2779 0.0353 -0.0231 0.0468 81 VAL A CA 553 C C . VAL A 73 ? 0.2123 0.2750 0.3177 0.0367 -0.0261 0.0574 81 VAL A C 554 O O . VAL A 73 ? 0.1991 0.2745 0.2909 0.0354 -0.0378 0.0578 81 VAL A O 555 C CB . VAL A 73 ? 0.1427 0.2047 0.2850 0.0388 -0.0312 0.0328 81 VAL A CB 556 C CG1 . VAL A 73 ? 0.2035 0.2676 0.3803 0.0450 -0.0267 0.0326 81 VAL A CG1 557 C CG2 . VAL A 73 ? 0.2096 0.2633 0.3609 0.0374 -0.0291 0.0225 81 VAL A CG2 558 N N . VAL A 74 ? 0.2610 0.2458 0.2547 -0.0081 -0.0121 -0.0260 82 VAL A N 559 C CA . VAL A 74 ? 0.2575 0.2629 0.2800 -0.0006 -0.0117 -0.0012 82 VAL A CA 560 C C . VAL A 74 ? 0.2684 0.2574 0.2992 0.0115 -0.0048 0.0081 82 VAL A C 561 O O . VAL A 74 ? 0.2718 0.2417 0.2856 0.0098 -0.0045 -0.0011 82 VAL A O 562 C CB . VAL A 74 ? 0.2832 0.3250 0.3128 -0.0141 -0.0262 0.0135 82 VAL A CB 563 C CG1 . VAL A 74 ? 0.3133 0.3729 0.3363 -0.0259 -0.0331 0.0052 82 VAL A CG1 564 C CG2 . VAL A 74 ? 0.3311 0.3722 0.3451 -0.0242 -0.0345 0.0121 82 VAL A CG2 565 N N . HIS A 75 ? 0.2741 0.2701 0.3314 0.0240 0.0009 0.0259 83 HIS A N 566 C CA . HIS A 75 ? 0.2848 0.2674 0.3528 0.0358 0.0068 0.0367 83 HIS A CA 567 C C . HIS A 75 ? 0.2892 0.2859 0.3549 0.0267 -0.0045 0.0484 83 HIS A C 568 O O . HIS A 75 ? 0.3005 0.3260 0.3694 0.0147 -0.0164 0.0574 83 HIS A O 569 C CB . HIS A 75 ? 0.4251 0.4161 0.5245 0.0503 0.0140 0.0543 83 HIS A CB 570 C CG . HIS A 75 ? 0.5212 0.4902 0.6233 0.0631 0.0285 0.0435 83 HIS A CG 571 N ND1 . HIS A 75 ? 0.5748 0.5418 0.6669 0.0590 0.0307 0.0288 83 HIS A ND1 572 C CD2 . HIS A 75 ? 0.5666 0.5145 0.6803 0.0795 0.0414 0.0455 83 HIS A CD2 573 C CE1 . HIS A 75 ? 0.5940 0.5393 0.6906 0.0722 0.0445 0.0222 83 HIS A CE1 574 N NE2 . HIS A 75 ? 0.5943 0.5280 0.7043 0.0848 0.0513 0.0319 83 HIS A NE2 575 N N . ILE A 76 ? 0.2976 0.2740 0.3577 0.0320 -0.0008 0.0484 84 ILE A N 576 C CA . ILE A 76 ? 0.3044 0.2936 0.3666 0.0257 -0.0103 0.0631 84 ILE A CA 577 C C . ILE A 76 ? 0.3476 0.3602 0.4411 0.0327 -0.0126 0.0888 84 ILE A C 578 O O . ILE A 76 ? 0.3772 0.3813 0.4903 0.0484 -0.0026 0.0956 84 ILE A O 579 C CB . ILE A 76 ? 0.3134 0.2744 0.3644 0.0313 -0.0047 0.0583 84 ILE A CB 580 C CG1 . ILE A 76 ? 0.3079 0.2472 0.3280 0.0234 -0.0034 0.0323 84 ILE A CG1 581 C CG2 . ILE A 76 ? 0.3424 0.3169 0.3975 0.0255 -0.0141 0.0758 84 ILE A CG2 582 C CD1 . ILE A 76 ? 0.3512 0.2597 0.3599 0.0302 0.0038 0.0249 84 ILE A CD1 583 N N . GLU A 77 ? 0.3824 0.4249 0.4813 0.0212 -0.0257 0.1025 85 GLU A N 584 C CA . GLU A 77 ? 0.4860 0.5518 0.6148 0.0271 -0.0294 0.1272 85 GLU A CA 585 C C . GLU A 77 ? 0.5391 0.6059 0.6722 0.0271 -0.0351 0.1434 85 GLU A C 586 O O . GLU A 77 ? 0.5974 0.6519 0.7462 0.0413 -0.0281 0.1533 85 GLU A O 587 C CB . GLU A 77 ? 0.5414 0.6415 0.6770 0.0154 -0.0404 0.1341 85 GLU A CB 588 C CG . GLU A 77 ? 0.6307 0.7572 0.7967 0.0199 -0.0461 0.1599 85 GLU A CG 589 C CD . GLU A 77 ? 0.7154 0.8480 0.9064 0.0323 -0.0379 0.1645 85 GLU A CD 590 O OE1 . GLU A 77 ? 0.7489 0.9043 0.9663 0.0361 -0.0424 0.1845 85 GLU A OE1 591 O OE2 . GLU A 77 ? 0.7509 0.8657 0.9352 0.0380 -0.0270 0.1480 85 GLU A OE2 592 N N . VAL A 82 ? 0.3920 0.5219 0.7079 0.1047 0.0166 0.1845 90 VAL A N 593 C CA . VAL A 82 ? 0.3970 0.5404 0.7374 0.1119 0.0233 0.1882 90 VAL A CA 594 C C . VAL A 82 ? 0.3380 0.4819 0.6614 0.1034 0.0258 0.1708 90 VAL A C 595 O O . VAL A 82 ? 0.3152 0.4326 0.6155 0.1036 0.0339 0.1517 90 VAL A O 596 C CB . VAL A 82 ? 0.4125 0.5356 0.7711 0.1307 0.0389 0.1885 90 VAL A CB 597 C CG1 . VAL A 82 ? 0.4049 0.5385 0.7833 0.1365 0.0474 0.1875 90 VAL A CG1 598 C CG2 . VAL A 82 ? 0.4681 0.5951 0.8498 0.1401 0.0360 0.2082 90 VAL A CG2 599 N N . LYS A 83 ? 0.3123 0.4860 0.6472 0.0959 0.0187 0.1774 91 LYS A N 600 C CA . LYS A 83 ? 0.3124 0.4891 0.6313 0.0865 0.0195 0.1620 91 LYS A CA 601 C C . LYS A 83 ? 0.3034 0.4591 0.6239 0.0971 0.0361 0.1490 91 LYS A C 602 O O . LYS A 83 ? 0.2865 0.4418 0.6330 0.1107 0.0453 0.1575 91 LYS A O 603 C CB . LYS A 83 ? 0.3381 0.5519 0.6730 0.0778 0.0094 0.1732 91 LYS A CB 604 C CG . LYS A 83 ? 0.3545 0.5898 0.6814 0.0636 -0.0080 0.1822 91 LYS A CG 605 C CD . LYS A 83 ? 0.3246 0.5944 0.6631 0.0539 -0.0172 0.1895 91 LYS A CD 606 C CE . LYS A 83 ? 0.3253 0.6185 0.6602 0.0410 -0.0346 0.2014 91 LYS A CE 607 N NZ . LYS A 83 ? 0.3044 0.6318 0.6504 0.0313 -0.0440 0.2085 91 LYS A NZ 608 N N . PRO A 84 ? 0.3155 0.4535 0.6081 0.0906 0.0397 0.1284 92 PRO A N 609 C CA . PRO A 84 ? 0.3188 0.4367 0.6093 0.0987 0.0547 0.1147 92 PRO A CA 610 C C . PRO A 84 ? 0.2701 0.4106 0.5764 0.0964 0.0560 0.1174 92 PRO A C 611 O O . PRO A 84 ? 0.2647 0.4351 0.5782 0.0864 0.0442 0.1267 92 PRO A O 612 C CB . PRO A 84 ? 0.3155 0.4082 0.5686 0.0905 0.0550 0.0924 92 PRO A CB 613 C CG . PRO A 84 ? 0.2650 0.3768 0.5038 0.0741 0.0385 0.0940 92 PRO A CG 614 C CD . PRO A 84 ? 0.3214 0.4542 0.5817 0.0759 0.0301 0.1160 92 PRO A CD 615 N N . GLU A 85 ? 0.2720 0.3980 0.5833 0.1052 0.0702 0.1091 93 GLU A N 616 C CA . GLU A 85 ? 0.2679 0.4129 0.5939 0.1036 0.0732 0.1104 93 GLU A CA 617 C C . GLU A 85 ? 0.2583 0.4155 0.5632 0.0868 0.0631 0.1012 93 GLU A C 618 O O . GLU A 85 ? 0.2532 0.4406 0.5720 0.0801 0.0557 0.1103 93 GLU A O 619 C CB . GLU A 85 ? 0.3171 0.4392 0.6449 0.1143 0.0907 0.0994 93 GLU A CB 620 C CG . GLU A 85 ? 0.3349 0.4765 0.6811 0.1140 0.0953 0.1019 93 GLU A CG 621 C CD . GLU A 85 ? 0.4170 0.5348 0.7626 0.1235 0.1129 0.0900 93 GLU A CD 622 O OE1 . GLU A 85 ? 0.4655 0.5562 0.8076 0.1343 0.1224 0.0856 93 GLU A OE1 623 O OE2 . GLU A 85 ? 0.4828 0.6085 0.8306 0.1199 0.1172 0.0849 93 GLU A OE2 624 N N . ARG A 86 ? 0.2559 0.3896 0.5276 0.0801 0.0626 0.0830 94 ARG A N 625 C CA . ARG A 86 ? 0.2745 0.4191 0.5251 0.0638 0.0518 0.0739 94 ARG A CA 626 C C . ARG A 86 ? 0.2448 0.3802 0.4701 0.0549 0.0416 0.0676 94 ARG A C 627 O O . ARG A 86 ? 0.2504 0.3612 0.4663 0.0615 0.0460 0.0633 94 ARG A O 628 C CB . ARG A 86 ? 0.3358 0.4630 0.5692 0.0617 0.0602 0.0554 94 ARG A CB 629 C CG . ARG A 86 ? 0.3833 0.4708 0.5967 0.0692 0.0710 0.0396 94 ARG A CG 630 C CD . ARG A 86 ? 0.4490 0.5200 0.6579 0.0733 0.0839 0.0272 94 ARG A CD 631 N NE . ARG A 86 ? 0.4873 0.5193 0.6745 0.0796 0.0932 0.0112 94 ARG A NE 632 C CZ . ARG A 86 ? 0.4423 0.4516 0.6057 0.0764 0.0984 -0.0076 94 ARG A CZ 633 N NH1 . ARG A 86 ? 0.4504 0.4722 0.6088 0.0669 0.0952 -0.0126 94 ARG A NH1 634 N NH2 . ARG A 86 ? 0.3995 0.3734 0.5443 0.0827 0.1064 -0.0212 94 ARG A NH2 635 N N . ASP A 87 ? 0.2369 0.3927 0.4517 0.0398 0.0279 0.0670 95 ASP A N 636 C CA . ASP A 87 ? 0.2347 0.3852 0.4265 0.0301 0.0174 0.0614 95 ASP A CA 637 C C . ASP A 87 ? 0.2350 0.3497 0.3964 0.0298 0.0236 0.0385 95 ASP A C 638 O O . ASP A 87 ? 0.2341 0.3342 0.3869 0.0314 0.0317 0.0254 95 ASP A O 639 C CB . ASP A 87 ? 0.2258 0.4057 0.4121 0.0133 0.0020 0.0639 95 ASP A CB 640 C CG . ASP A 87 ? 0.2633 0.4478 0.4407 0.0057 0.0024 0.0520 95 ASP A CG 641 O OD1 . ASP A 87 ? 0.2990 0.5048 0.4975 0.0072 0.0038 0.0615 95 ASP A OD1 642 O OD2 . ASP A 87 ? 0.2679 0.4348 0.4174 -0.0018 0.0011 0.0331 95 ASP A OD2 643 N N . ASP A 88 ? 0.1980 0.2355 0.2948 0.0536 -0.0164 0.0641 96 ASP A N 644 C CA . ASP A 88 ? 0.2102 0.2391 0.2997 0.0525 -0.0156 0.0536 96 ASP A CA 645 C C . ASP A 88 ? 0.1984 0.2273 0.2812 0.0443 -0.0181 0.0610 96 ASP A C 646 O O . ASP A 88 ? 0.2304 0.2565 0.3242 0.0417 -0.0218 0.0705 96 ASP A O 647 C CB . ASP A 88 ? 0.2611 0.2772 0.3661 0.0578 -0.0163 0.0468 96 ASP A CB 648 C CG . ASP A 88 ? 0.3208 0.3272 0.4209 0.0551 -0.0169 0.0385 96 ASP A CG 649 O OD1 . ASP A 88 ? 0.2797 0.2896 0.3643 0.0505 -0.0160 0.0360 96 ASP A OD1 650 O OD2 . ASP A 88 ? 0.3686 0.3634 0.4807 0.0578 -0.0181 0.0343 96 ASP A OD2 651 N N . THR A 89 ? 0.1636 0.1960 0.2286 0.0405 -0.0159 0.0569 97 THR A N 652 C CA . THR A 89 ? 0.1826 0.2150 0.2404 0.0332 -0.0173 0.0623 97 THR A CA 653 C C . THR A 89 ? 0.2012 0.2271 0.2531 0.0328 -0.0164 0.0523 97 THR A C 654 O O . THR A 89 ? 0.2483 0.2751 0.2908 0.0355 -0.0135 0.0422 97 THR A O 655 C CB . THR A 89 ? 0.2416 0.2842 0.2832 0.0281 -0.0152 0.0681 97 THR A CB 656 O OG1 . THR A 89 ? 0.2929 0.3426 0.3391 0.0283 -0.0161 0.0772 97 THR A OG1 657 C CG2 . THR A 89 ? 0.2789 0.3214 0.3148 0.0206 -0.0163 0.0749 97 THR A CG2 658 N N . GLU A 90 ? 0.1851 0.2052 0.2425 0.0289 -0.0193 0.0554 98 GLU A N 659 C CA . GLU A 90 ? 0.1781 0.1927 0.2311 0.0280 -0.0190 0.0468 98 GLU A CA 660 C C . GLU A 90 ? 0.1632 0.1821 0.2054 0.0215 -0.0185 0.0514 98 GLU A C 661 O O . GLU A 90 ? 0.2045 0.2249 0.2499 0.0166 -0.0204 0.0616 98 GLU A O 662 C CB . GLU A 90 ? 0.2084 0.2117 0.2764 0.0290 -0.0225 0.0450 98 GLU A CB 663 C CG . GLU A 90 ? 0.2491 0.2467 0.3132 0.0281 -0.0224 0.0353 98 GLU A CG 664 C CD . GLU A 90 ? 0.2877 0.2729 0.3655 0.0294 -0.0255 0.0318 98 GLU A CD 665 O OE1 . GLU A 90 ? 0.3112 0.2918 0.4026 0.0303 -0.0281 0.0383 98 GLU A OE1 666 O OE2 . GLU A 90 ? 0.3166 0.2965 0.3912 0.0291 -0.0254 0.0225 98 GLU A OE2 667 N N . PHE A 91 ? 0.1647 0.1856 0.1943 0.0214 -0.0157 0.0438 99 PHE A N 668 C CA . PHE A 91 ? 0.1736 0.1987 0.1928 0.0162 -0.0142 0.0469 99 PHE A CA 669 C C . PHE A 91 ? 0.1734 0.1942 0.1926 0.0154 -0.0150 0.0400 99 PHE A C 670 O O . PHE A 91 ? 0.1927 0.2086 0.2146 0.0190 -0.0155 0.0306 99 PHE A O 671 C CB . PHE A 91 ? 0.1763 0.2093 0.1791 0.0162 -0.0099 0.0457 99 PHE A CB 672 C CG . PHE A 91 ? 0.1541 0.1924 0.1546 0.0160 -0.0090 0.0526 99 PHE A CG 673 C CD1 . PHE A 91 ? 0.2107 0.2524 0.2105 0.0105 -0.0095 0.0636 99 PHE A CD1 674 C CD2 . PHE A 91 ? 0.1772 0.2179 0.1756 0.0206 -0.0076 0.0480 99 PHE A CD2 675 C CE1 . PHE A 91 ? 0.2399 0.2872 0.2367 0.0094 -0.0090 0.0705 99 PHE A CE1 676 C CE2 . PHE A 91 ? 0.1933 0.2400 0.1893 0.0199 -0.0070 0.0549 99 PHE A CE2 677 C CZ . PHE A 91 ? 0.1934 0.2433 0.1885 0.0142 -0.0079 0.0662 99 PHE A CZ 678 N N . GLN A 92 ? 0.1493 0.1725 0.1650 0.0106 -0.0148 0.0445 100 GLN A N 679 C CA . GLN A 92 ? 0.1653 0.1858 0.1814 0.0094 -0.0158 0.0390 100 GLN A CA 680 C C . GLN A 92 ? 0.1682 0.1945 0.1766 0.0050 -0.0136 0.0433 100 GLN A C 681 O O . GLN A 92 ? 0.1740 0.2044 0.1797 0.0016 -0.0123 0.0519 100 GLN A O 682 C CB . GLN A 92 ? 0.2582 0.2702 0.2890 0.0083 -0.0205 0.0394 100 GLN A CB 683 C CG . GLN A 92 ? 0.3046 0.3168 0.3419 0.0030 -0.0228 0.0499 100 GLN A CG 684 C CD . GLN A 92 ? 0.3349 0.3385 0.3855 0.0011 -0.0277 0.0498 100 GLN A CD 685 O OE1 . GLN A 92 ? 0.3204 0.3160 0.3766 0.0042 -0.0294 0.0422 100 GLN A OE1 686 N NE2 . GLN A 92 ? 0.2971 0.3018 0.3521 -0.0043 -0.0297 0.0584 100 GLN A NE2 687 N N . HIS A 93 ? 0.1643 0.1911 0.1690 0.0051 -0.0132 0.0371 101 HIS A N 688 C CA . HIS A 93 ? 0.1823 0.2143 0.1821 0.0016 -0.0114 0.0404 101 HIS A CA 689 C C . HIS A 93 ? 0.1598 0.1889 0.1651 0.0008 -0.0144 0.0351 101 HIS A C 690 O O . HIS A 93 ? 0.1726 0.1983 0.1774 0.0037 -0.0154 0.0264 101 HIS A O 691 C CB . HIS A 93 ? 0.1611 0.1994 0.1462 0.0032 -0.0062 0.0385 101 HIS A CB 692 C CG . HIS A 93 ? 0.2071 0.2510 0.1874 0.0001 -0.0032 0.0432 101 HIS A CG 693 N ND1 . HIS A 93 ? 0.1826 0.2280 0.1656 -0.0010 -0.0040 0.0411 101 HIS A ND1 694 C CD2 . HIS A 93 ? 0.1871 0.2355 0.1602 -0.0023 0.0010 0.0498 101 HIS A CD2 695 C CE1 . HIS A 93 ? 0.2090 0.2601 0.1877 -0.0033 -0.0004 0.0465 101 HIS A CE1 696 N NE2 . HIS A 93 ? 0.1885 0.2408 0.1606 -0.0041 0.0030 0.0514 101 HIS A NE2 697 N N . PRO A 94 ? 0.1821 0.2130 0.1922 -0.0036 -0.0156 0.0403 102 PRO A N 698 C CA . PRO A 94 ? 0.1764 0.2046 0.1923 -0.0052 -0.0191 0.0360 102 PRO A CA 699 C C . PRO A 94 ? 0.1824 0.2146 0.1901 -0.0034 -0.0174 0.0288 102 PRO A C 700 O O . PRO A 94 ? 0.1937 0.2232 0.2050 -0.0046 -0.0207 0.0237 102 PRO A O 701 C CB . PRO A 94 ? 0.2030 0.2345 0.2246 -0.0105 -0.0202 0.0446 102 PRO A CB 702 C CG . PRO A 94 ? 0.2397 0.2778 0.2543 -0.0111 -0.0154 0.0515 102 PRO A CG 703 C CD . PRO A 94 ? 0.1920 0.2279 0.2017 -0.0076 -0.0137 0.0502 102 PRO A CD 704 N N . CYS A 95 ? 0.1731 0.2113 0.1698 -0.0010 -0.0127 0.0287 103 CYS A N 705 C CA . CYS A 95 ? 0.1721 0.2145 0.1606 0.0009 -0.0109 0.0226 103 CYS A CA 706 C C . CYS A 95 ? 0.1851 0.2255 0.1658 0.0054 -0.0095 0.0151 103 CYS A C 707 O O . CYS A 95 ? 0.1820 0.2262 0.1537 0.0072 -0.0074 0.0107 103 CYS A O 708 C CB . CYS A 95 ? 0.1535 0.2038 0.1350 0.0004 -0.0063 0.0279 103 CYS A CB 709 S SG . CYS A 95 ? 0.2609 0.3155 0.2513 -0.0045 -0.0073 0.0360 103 CYS A SG 710 N N . PHE A 96 ? 0.1477 0.1825 0.1321 0.0070 -0.0107 0.0140 104 PHE A N 711 C CA . PHE A 96 ? 0.1691 0.2024 0.1476 0.0112 -0.0094 0.0072 104 PHE A CA 712 C C . PHE A 96 ? 0.1676 0.1929 0.1543 0.0122 -0.0131 0.0005 104 PHE A C 713 O O . PHE A 96 ? 0.1899 0.2100 0.1850 0.0129 -0.0146 0.0026 104 PHE A O 714 C CB . PHE A 96 ? 0.1491 0.1839 0.1243 0.0127 -0.0067 0.0125 104 PHE A CB 715 C CG . PHE A 96 ? 0.1479 0.1832 0.1157 0.0168 -0.0048 0.0066 104 PHE A CG 716 C CD1 . PHE A 96 ? 0.1646 0.2054 0.1191 0.0180 -0.0011 0.0047 104 PHE A CD1 717 C CD2 . PHE A 96 ? 0.1740 0.2044 0.1485 0.0195 -0.0064 0.0031 104 PHE A CD2 718 C CE1 . PHE A 96 ? 0.1897 0.2315 0.1373 0.0214 0.0005 -0.0006 104 PHE A CE1 719 C CE2 . PHE A 96 ? 0.1976 0.2295 0.1660 0.0233 -0.0045 -0.0022 104 PHE A CE2 720 C CZ . PHE A 96 ? 0.1691 0.2069 0.1238 0.0240 -0.0012 -0.0039 104 PHE A CZ 721 N N . LEU A 97 ? 0.1697 0.1939 0.1544 0.0120 -0.0145 -0.0075 105 LEU A N 722 C CA . LEU A 97 ? 0.1701 0.1857 0.1624 0.0115 -0.0180 -0.0141 105 LEU A CA 723 C C . LEU A 97 ? 0.2168 0.2314 0.2022 0.0138 -0.0172 -0.0249 105 LEU A C 724 O O . LEU A 97 ? 0.2223 0.2432 0.1981 0.0136 -0.0158 -0.0274 105 LEU A O 725 C CB . LEU A 97 ? 0.1978 0.2118 0.1961 0.0064 -0.0217 -0.0125 105 LEU A CB 726 C CG . LEU A 97 ? 0.1974 0.2129 0.2028 0.0030 -0.0229 -0.0020 105 LEU A CG 727 C CD1 . LEU A 97 ? 0.1925 0.2070 0.2031 -0.0021 -0.0268 -0.0020 105 LEU A CD1 728 C CD2 . LEU A 97 ? 0.2298 0.2385 0.2444 0.0041 -0.0240 0.0018 105 LEU A CD2 729 N N . ARG A 98 ? 0.1931 0.1995 0.1836 0.0158 -0.0181 -0.0313 106 ARG A N 730 C CA . ARG A 98 ? 0.2170 0.2215 0.2014 0.0174 -0.0174 -0.0424 106 ARG A CA 731 C C . ARG A 98 ? 0.2336 0.2397 0.2134 0.0129 -0.0196 -0.0469 106 ARG A C 732 O O . ARG A 98 ? 0.2174 0.2202 0.2034 0.0086 -0.0230 -0.0448 106 ARG A O 733 C CB . ARG A 98 ? 0.2603 0.2543 0.2530 0.0198 -0.0179 -0.0485 106 ARG A CB 734 C CG . ARG A 98 ? 0.2817 0.2736 0.2680 0.0216 -0.0163 -0.0605 106 ARG A CG 735 C CD . ARG A 98 ? 0.2973 0.2781 0.2923 0.0247 -0.0158 -0.0665 106 ARG A CD 736 N NE . ARG A 98 ? 0.3118 0.2827 0.3162 0.0211 -0.0193 -0.0659 106 ARG A NE 737 C CZ . ARG A 98 ? 0.3072 0.2690 0.3237 0.0231 -0.0201 -0.0633 106 ARG A CZ 738 N NH1 . ARG A 98 ? 0.3101 0.2721 0.3317 0.0288 -0.0175 -0.0609 106 ARG A NH1 739 N NH2 . ARG A 98 ? 0.2719 0.2247 0.2957 0.0190 -0.0236 -0.0626 106 ARG A NH2 740 N N . GLY A 99 ? 0.2316 0.2434 0.2006 0.0135 -0.0180 -0.0524 107 GLY A N 741 C CA . GLY A 99 ? 0.2753 0.2893 0.2393 0.0091 -0.0203 -0.0568 107 GLY A CA 742 C C . GLY A 99 ? 0.2634 0.2854 0.2267 0.0058 -0.0216 -0.0488 107 GLY A C 743 O O . GLY A 99 ? 0.2641 0.2888 0.2248 0.0017 -0.0240 -0.0510 107 GLY A O 744 N N . GLN A 100 ? 0.1997 0.2257 0.1652 0.0074 -0.0197 -0.0395 108 GLN A N 745 C CA . GLN A 100 ? 0.2246 0.2579 0.1908 0.0046 -0.0201 -0.0315 108 GLN A CA 746 C C . GLN A 100 ? 0.1964 0.2371 0.1555 0.0077 -0.0157 -0.0259 108 GLN A C 747 O O . GLN A 100 ? 0.2054 0.2485 0.1677 0.0075 -0.0143 -0.0174 108 GLN A O 748 C CB . GLN A 100 ? 0.2275 0.2573 0.2051 0.0017 -0.0225 -0.0245 108 GLN A CB 749 C CG . GLN A 100 ? 0.2571 0.2782 0.2418 -0.0018 -0.0269 -0.0295 108 GLN A CG 750 C CD . GLN A 100 ? 0.2892 0.3133 0.2715 -0.0066 -0.0300 -0.0329 108 GLN A CD 751 O OE1 . GLN A 100 ? 0.2774 0.3106 0.2583 -0.0084 -0.0301 -0.0274 108 GLN A OE1 752 N NE2 . GLN A 100 ? 0.3050 0.3217 0.2870 -0.0089 -0.0326 -0.0417 108 GLN A NE2 753 N N . GLU A 101 ? 0.1977 0.2291 0.2021 -0.0363 -0.0692 0.0357 109 GLU A N 754 C CA . GLU A 101 ? 0.2361 0.2393 0.2320 -0.0310 -0.0567 0.0262 109 GLU A CA 755 C C . GLU A 101 ? 0.2189 0.2220 0.2134 -0.0127 -0.0490 0.0360 109 GLU A C 756 O O . GLU A 101 ? 0.2561 0.2433 0.2458 -0.0074 -0.0402 0.0269 109 GLU A O 757 C CB . GLU A 101 ? 0.2682 0.2418 0.2551 -0.0360 -0.0489 0.0228 109 GLU A CB 758 C CG . GLU A 101 ? 0.3078 0.2514 0.2862 -0.0351 -0.0365 0.0085 109 GLU A CG 759 C CD . GLU A 101 ? 0.4074 0.3196 0.3762 -0.0415 -0.0278 0.0038 109 GLU A CD 760 O OE1 . GLU A 101 ? 0.4593 0.3712 0.4268 -0.0435 -0.0300 0.0143 109 GLU A OE1 761 O OE2 . GLU A 101 ? 0.4869 0.3749 0.4492 -0.0448 -0.0183 -0.0107 109 GLU A OE2 762 N N . GLN A 102 ? 0.1976 0.2196 0.1965 -0.0031 -0.0523 0.0538 110 GLN A N 763 C CA . GLN A 102 ? 0.2037 0.2268 0.2016 0.0154 -0.0449 0.0639 110 GLN A CA 764 C C . GLN A 102 ? 0.2006 0.2384 0.2032 0.0198 -0.0457 0.0582 110 GLN A C 765 O O . GLN A 102 ? 0.2401 0.2723 0.2403 0.0340 -0.0372 0.0607 110 GLN A O 766 C CB . GLN A 102 ? 0.2406 0.2852 0.2431 0.0246 -0.0492 0.0842 110 GLN A CB 767 C CG . GLN A 102 ? 0.2382 0.3121 0.2503 0.0207 -0.0550 0.0811 110 GLN A CG 768 C CD . GLN A 102 ? 0.2398 0.3159 0.2548 0.0037 -0.0583 0.0683 110 GLN A CD 769 O OE1 . GLN A 102 ? 0.2645 0.3297 0.2766 -0.0058 -0.0613 0.0662 110 GLN A OE1 770 N NE2 . GLN A 102 ? 0.2497 0.3349 0.2690 0.0007 -0.0560 0.0603 110 GLN A NE2 771 N N . LEU A 103 ? 0.1639 0.2204 0.1730 0.0083 -0.0556 0.0509 111 LEU A N 772 C CA . LEU A 103 ? 0.1601 0.2324 0.1734 0.0120 -0.0570 0.0464 111 LEU A CA 773 C C . LEU A 103 ? 0.1562 0.2055 0.1622 0.0131 -0.0477 0.0302 111 LEU A C 774 O O . LEU A 103 ? 0.1882 0.2468 0.1956 0.0190 -0.0462 0.0267 111 LEU A O 775 C CB . LEU A 103 ? 0.1518 0.2384 0.1703 0.0004 -0.0637 0.0380 111 LEU A CB 776 C CG . LEU A 103 ? 0.1770 0.2647 0.1972 0.0003 -0.0588 0.0400 111 LEU A CG 777 C CD1 . LEU A 103 ? 0.2150 0.2982 0.2357 -0.0071 -0.0553 0.0291 111 LEU A CD1 778 C CD2 . LEU A 103 ? 0.2191 0.3178 0.2421 0.0103 -0.0562 0.0495 111 LEU A CD2 779 N N . LEU A 104 ? 0.1879 0.2080 0.1860 0.0064 -0.0415 0.0196 112 LEU A N 780 C CA . LEU A 104 ? 0.2043 0.2014 0.1950 0.0067 -0.0318 0.0034 112 LEU A CA 781 C C . LEU A 104 ? 0.2336 0.2232 0.2207 0.0244 -0.0210 0.0087 112 LEU A C 782 O O . LEU A 104 ? 0.2546 0.2350 0.2377 0.0271 -0.0144 -0.0032 112 LEU A O 783 C CB . LEU A 104 ? 0.2189 0.1845 0.2014 -0.0028 -0.0254 -0.0073 112 LEU A CB 784 C CG . LEU A 104 ? 0.2525 0.2213 0.2374 -0.0204 -0.0343 -0.0143 112 LEU A CG 785 C CD1 . LEU A 104 ? 0.2257 0.1614 0.2017 -0.0278 -0.0252 -0.0239 112 LEU A CD1 786 C CD2 . LEU A 104 ? 0.2444 0.2292 0.2338 -0.0298 -0.0422 -0.0277 112 LEU A CD2 787 N N . GLU A 105 ? 0.2394 0.2338 0.2278 0.0367 -0.0191 0.0264 113 GLU A N 788 C CA . GLU A 105 ? 0.2580 0.2468 0.2435 0.0553 -0.0089 0.0330 113 GLU A CA 789 C C . GLU A 105 ? 0.2638 0.2753 0.2546 0.0613 -0.0109 0.0308 113 GLU A C 790 O O . GLU A 105 ? 0.2874 0.2912 0.2747 0.0747 -0.0013 0.0303 113 GLU A O 791 C CB . GLU A 105 ? 0.2756 0.2732 0.2634 0.0675 -0.0089 0.0537 113 GLU A CB 792 C CG . GLU A 105 ? 0.3951 0.3701 0.3764 0.0636 -0.0061 0.0579 113 GLU A CG 793 C CD . GLU A 105 ? 0.5875 0.5759 0.5715 0.0754 -0.0080 0.0790 113 GLU A CD 794 O OE1 . GLU A 105 ? 0.6447 0.6610 0.6364 0.0864 -0.0114 0.0899 113 GLU A OE1 795 O OE2 . GLU A 105 ? 0.6718 0.6440 0.6502 0.0735 -0.0059 0.0847 113 GLU A OE2 796 N N . ASN A 106 ? 0.2149 0.2541 0.2138 0.0518 -0.0229 0.0299 114 ASN A N 797 C CA . ASN A 106 ? 0.2409 0.3041 0.2450 0.0566 -0.0258 0.0293 114 ASN A CA 798 C C . ASN A 106 ? 0.2596 0.3160 0.2597 0.0488 -0.0248 0.0103 114 ASN A C 799 O O . ASN A 106 ? 0.2549 0.3292 0.2577 0.0525 -0.0264 0.0084 114 ASN A O 800 C CB . ASN A 106 ? 0.2382 0.3365 0.2530 0.0514 -0.0391 0.0403 114 ASN A CB 801 C CG . ASN A 106 ? 0.2870 0.3981 0.3067 0.0595 -0.0408 0.0593 114 ASN A CG 802 O OD1 . ASN A 106 ? 0.2942 0.3987 0.3116 0.0746 -0.0323 0.0674 114 ASN A OD1 803 N ND2 . ASN A 106 ? 0.3161 0.4376 0.3409 0.0468 -0.0493 0.0622 114 ASN A ND2 804 N N . ILE A 107 ? 0.2557 0.2876 0.2494 0.0379 -0.0222 -0.0039 115 ILE A N 805 C CA . ILE A 107 ? 0.2137 0.2404 0.2036 0.0299 -0.0217 -0.0229 115 ILE A CA 806 C C . ILE A 107 ? 0.2898 0.2970 0.2719 0.0399 -0.0083 -0.0317 115 ILE A C 807 O O . ILE A 107 ? 0.3174 0.2978 0.2930 0.0456 0.0024 -0.0313 115 ILE A O 808 C CB . ILE A 107 ? 0.2111 0.2219 0.1979 0.0135 -0.0244 -0.0358 115 ILE A CB 809 C CG1 . ILE A 107 ? 0.2218 0.2531 0.2164 0.0035 -0.0379 -0.0280 115 ILE A CG1 810 C CG2 . ILE A 107 ? 0.2338 0.2399 0.2164 0.0064 -0.0230 -0.0562 115 ILE A CG2 811 C CD1 . ILE A 107 ? 0.2521 0.2711 0.2450 -0.0124 -0.0415 -0.0391 115 ILE A CD1 812 N N . LYS A 108 ? 0.2844 0.3043 0.2664 0.0420 -0.0087 -0.0397 116 LYS A N 813 C CA . LYS A 108 ? 0.3028 0.3089 0.2780 0.0523 0.0034 -0.0480 116 LYS A CA 814 C C . LYS A 108 ? 0.2829 0.2852 0.2532 0.0430 0.0038 -0.0691 116 LYS A C 815 O O . LYS A 108 ? 0.2829 0.3025 0.2567 0.0321 -0.0069 -0.0741 116 LYS A O 816 C CB . LYS A 108 ? 0.3679 0.3969 0.3477 0.0674 0.0040 -0.0355 116 LYS A CB 817 C CG . LYS A 108 ? 0.4921 0.5282 0.4772 0.0782 0.0040 -0.0147 116 LYS A CG 818 C CD . LYS A 108 ? 0.5829 0.6485 0.5746 0.0907 0.0024 -0.0030 116 LYS A CD 819 C CE . LYS A 108 ? 0.6644 0.7216 0.6502 0.1026 0.0139 -0.0110 116 LYS A CE 820 N NZ . LYS A 108 ? 0.7274 0.7581 0.7072 0.1162 0.0271 -0.0075 116 LYS A NZ 821 N N . ARG A 109 ? 0.3080 0.2876 0.2697 0.0474 0.0162 -0.0816 117 ARG A N 822 C CA . ARG A 109 ? 0.3194 0.2980 0.2760 0.0407 0.0176 -0.1019 117 ARG A CA 823 C C . ARG A 109 ? 0.3730 0.3820 0.3333 0.0466 0.0119 -0.0990 117 ARG A C 824 O O . ARG A 109 ? 0.4057 0.4256 0.3688 0.0602 0.0145 -0.0860 117 ARG A O 825 C CB . ARG A 109 ? 0.4169 0.3644 0.3633 0.0450 0.0331 -0.1153 117 ARG A CB 826 C CG . ARG A 109 ? 0.4719 0.3865 0.4129 0.0375 0.0402 -0.1208 117 ARG A CG 827 C CD . ARG A 109 ? 0.5760 0.4606 0.5063 0.0378 0.0549 -0.1388 117 ARG A CD 828 N NE . ARG A 109 ? 0.6264 0.4841 0.5522 0.0295 0.0574 -0.1382 117 ARG A NE 829 C CZ . ARG A 109 ? 0.6317 0.4770 0.5525 0.0233 0.0578 -0.1438 117 ARG A CZ 830 N NH1 . ARG A 109 ? 0.6458 0.4973 0.5624 0.0243 0.0574 -0.1508 117 ARG A NH1 831 N NH2 . ARG A 109 ? 0.6546 0.4823 0.5752 0.0159 0.0593 -0.1421 117 ARG A NH2 832 N N . LYS A 110 ? 0.4214 0.4446 0.3816 0.0366 0.0043 -0.1109 118 LYS A N 833 C CA . LYS A 110 ? 0.5081 0.5599 0.4705 0.0409 -0.0013 -0.1092 118 LYS A CA 834 C C . LYS A 110 ? 0.5945 0.6431 0.5489 0.0388 0.0034 -0.1294 118 LYS A C 835 O O . LYS A 110 ? 0.6682 0.6948 0.6193 0.0283 0.0073 -0.1377 118 LYS A O 836 C CB . LYS A 110 ? 0.5419 0.6189 0.5116 0.0321 -0.0164 -0.1019 118 LYS A CB 837 C CG . LYS A 110 ? 0.5814 0.6683 0.5597 0.0346 -0.0221 -0.0812 118 LYS A CG 838 C CD . LYS A 110 ? 0.6043 0.7174 0.5892 0.0268 -0.0363 -0.0744 118 LYS A CD 839 C CE . LYS A 110 ? 0.6298 0.7547 0.6233 0.0291 -0.0416 -0.0542 118 LYS A CE 840 N NZ . LYS A 110 ? 0.6369 0.7757 0.6366 0.0193 -0.0509 -0.0456 118 LYS A NZ 841 N N . HIS B 5 ? 0.6090 0.4412 0.4206 0.1262 -0.1505 -0.1290 13 HIS B N 842 C CA . HIS B 5 ? 0.6272 0.4396 0.4474 0.1204 -0.1568 -0.1312 13 HIS B CA 843 C C . HIS B 5 ? 0.6041 0.4162 0.4634 0.0905 -0.1583 -0.1177 13 HIS B C 844 O O . HIS B 5 ? 0.5458 0.3808 0.4277 0.0767 -0.1473 -0.1060 13 HIS B O 845 C CB . HIS B 5 ? 0.5987 0.4324 0.4163 0.1315 -0.1347 -0.1289 13 HIS B CB 846 C CG . HIS B 5 ? 0.5927 0.4643 0.4364 0.1184 -0.1079 -0.1114 13 HIS B CG 847 N ND1 . HIS B 5 ? 0.6228 0.5262 0.4586 0.1283 -0.0902 -0.1057 13 HIS B ND1 848 C CD2 . HIS B 5 ? 0.5581 0.4389 0.4336 0.0964 -0.0975 -0.0982 13 HIS B CD2 849 C CE1 . HIS B 5 ? 0.5862 0.5134 0.4482 0.1126 -0.0722 -0.0901 13 HIS B CE1 850 N NE2 . HIS B 5 ? 0.5440 0.4579 0.4292 0.0944 -0.0758 -0.0864 13 HIS B NE2 851 N N . HIS B 6 ? 0.6174 0.4038 0.4836 0.0813 -0.1727 -0.1192 14 HIS B N 852 C CA . HIS B 6 ? 0.5747 0.3638 0.4769 0.0532 -0.1732 -0.1049 14 HIS B CA 853 C C . HIS B 6 ? 0.4935 0.3166 0.4178 0.0446 -0.1432 -0.0917 14 HIS B C 854 O O . HIS B 6 ? 0.4998 0.3298 0.4145 0.0554 -0.1295 -0.0935 14 HIS B O 855 C CB . HIS B 6 ? 0.6539 0.4072 0.5546 0.0463 -0.1960 -0.1084 14 HIS B CB 856 C CG . HIS B 6 ? 0.6782 0.4377 0.6141 0.0179 -0.1946 -0.0920 14 HIS B CG 857 N ND1 . HIS B 6 ? 0.7032 0.4647 0.6631 -0.0023 -0.2067 -0.0809 14 HIS B ND1 858 C CD2 . HIS B 6 ? 0.6664 0.4348 0.6174 0.0073 -0.1808 -0.0827 14 HIS B CD2 859 C CE1 . HIS B 6 ? 0.6958 0.4690 0.6835 -0.0237 -0.1998 -0.0659 14 HIS B CE1 860 N NE2 . HIS B 6 ? 0.6801 0.4547 0.6615 -0.0187 -0.1852 -0.0677 14 HIS B NE2 861 N N . VAL B 7 ? 0.4635 0.3080 0.4167 0.0265 -0.1339 -0.0787 15 VAL B N 862 C CA . VAL B 7 ? 0.3975 0.2699 0.3691 0.0192 -0.1082 -0.0672 15 VAL B CA 863 C C . VAL B 7 ? 0.4119 0.2755 0.3961 0.0058 -0.1079 -0.0614 15 VAL B C 864 O O . VAL B 7 ? 0.4708 0.3244 0.4709 -0.0105 -0.1213 -0.0561 15 VAL B O 865 C CB . VAL B 7 ? 0.3859 0.2834 0.3824 0.0072 -0.0987 -0.0567 15 VAL B CB 866 C CG1 . VAL B 7 ? 0.3866 0.3079 0.3959 0.0032 -0.0743 -0.0472 15 VAL B CG1 867 C CG2 . VAL B 7 ? 0.4160 0.3190 0.4004 0.0184 -0.1026 -0.0616 15 VAL B CG2 868 N N . PRO B 8 ? 0.4140 0.2822 0.3917 0.0121 -0.0937 -0.0609 16 PRO B N 869 C CA . PRO B 8 ? 0.4471 0.3068 0.4343 0.0002 -0.0926 -0.0550 16 PRO B CA 870 C C . PRO B 8 ? 0.4233 0.2972 0.4386 -0.0219 -0.0868 -0.0413 16 PRO B C 871 O O . PRO B 8 ? 0.3673 0.2663 0.3947 -0.0241 -0.0714 -0.0353 16 PRO B O 872 C CB . PRO B 8 ? 0.4620 0.3353 0.4420 0.0102 -0.0732 -0.0539 16 PRO B CB 873 C CG . PRO B 8 ? 0.4499 0.3298 0.4094 0.0314 -0.0713 -0.0628 16 PRO B CG 874 C CD . PRO B 8 ? 0.4168 0.2998 0.3778 0.0304 -0.0791 -0.0647 16 PRO B CD 875 N N . ALA B 9 ? 0.4188 0.2777 0.4437 -0.0373 -0.0996 -0.0360 17 ALA B N 876 C CA . ALA B 9 ? 0.4100 0.2871 0.4616 -0.0579 -0.0932 -0.0213 17 ALA B CA 877 C C . ALA B 9 ? 0.3904 0.2902 0.4479 -0.0586 -0.0675 -0.0146 17 ALA B C 878 O O . ALA B 9 ? 0.3609 0.2847 0.4371 -0.0676 -0.0559 -0.0055 17 ALA B O 879 C CB . ALA B 9 ? 0.4469 0.3044 0.5053 -0.0747 -0.1106 -0.0145 17 ALA B CB 880 N N . PHE B 10 ? 0.3318 0.2239 0.3732 -0.0485 -0.0600 -0.0192 18 PHE B N 881 C CA . PHE B 10 ? 0.2828 0.1918 0.3270 -0.0487 -0.0388 -0.0133 18 PHE B CA 882 C C . PHE B 10 ? 0.2752 0.2083 0.3269 -0.0442 -0.0258 -0.0117 18 PHE B C 883 O O . PHE B 10 ? 0.2941 0.2439 0.3580 -0.0511 -0.0134 -0.0042 18 PHE B O 884 C CB . PHE B 10 ? 0.3063 0.2064 0.3329 -0.0361 -0.0342 -0.0185 18 PHE B CB 885 C CG . PHE B 10 ? 0.3130 0.2276 0.3415 -0.0364 -0.0155 -0.0121 18 PHE B CG 886 C CD1 . PHE B 10 ? 0.3185 0.2315 0.3521 -0.0483 -0.0098 -0.0042 18 PHE B CD1 887 C CD2 . PHE B 10 ? 0.2775 0.2064 0.3016 -0.0256 -0.0053 -0.0131 18 PHE B CD2 888 C CE1 . PHE B 10 ? 0.2875 0.2096 0.3199 -0.0480 0.0046 0.0007 18 PHE B CE1 889 C CE2 . PHE B 10 ? 0.2836 0.2216 0.3088 -0.0268 0.0081 -0.0067 18 PHE B CE2 890 C CZ . PHE B 10 ? 0.2748 0.2080 0.3032 -0.0374 0.0127 -0.0007 18 PHE B CZ 891 N N . LEU B 11 ? 0.3035 0.2372 0.3460 -0.0315 -0.0296 -0.0191 19 LEU B N 892 C CA . LEU B 11 ? 0.2683 0.2217 0.3154 -0.0262 -0.0195 -0.0177 19 LEU B CA 893 C C . LEU B 11 ? 0.2518 0.2184 0.3192 -0.0353 -0.0220 -0.0133 19 LEU B C 894 O O . LEU B 11 ? 0.2514 0.2358 0.3294 -0.0361 -0.0107 -0.0086 19 LEU B O 895 C CB . LEU B 11 ? 0.2889 0.2406 0.3196 -0.0110 -0.0238 -0.0253 19 LEU B CB 896 C CG . LEU B 11 ? 0.3144 0.2625 0.3275 0.0004 -0.0186 -0.0279 19 LEU B CG 897 C CD1 . LEU B 11 ? 0.3355 0.2861 0.3314 0.0162 -0.0228 -0.0346 19 LEU B CD1 898 C CD2 . LEU B 11 ? 0.3223 0.2831 0.3398 -0.0019 -0.0027 -0.0195 19 LEU B CD2 899 N N . THR B 12 ? 0.2680 0.2257 0.3412 -0.0417 -0.0384 -0.0145 20 THR B N 900 C CA . THR B 12 ? 0.2493 0.2229 0.3453 -0.0513 -0.0422 -0.0085 20 THR B CA 901 C C . THR B 12 ? 0.2814 0.2731 0.3959 -0.0632 -0.0298 0.0024 20 THR B C 902 O O . THR B 12 ? 0.2655 0.2811 0.3960 -0.0636 -0.0202 0.0070 20 THR B O 903 C CB . THR B 12 ? 0.3216 0.2796 0.4209 -0.0582 -0.0655 -0.0100 20 THR B CB 904 O OG1 . THR B 12 ? 0.3758 0.3181 0.4544 -0.0441 -0.0763 -0.0215 20 THR B OG1 905 C CG2 . THR B 12 ? 0.3134 0.2927 0.4412 -0.0700 -0.0694 -0.0008 20 THR B CG2 906 N N . LYS B 13 ? 0.2558 0.2365 0.3665 -0.0715 -0.0302 0.0062 21 LYS B N 907 C CA . LYS B 13 ? 0.2673 0.2648 0.3909 -0.0821 -0.0176 0.0168 21 LYS B CA 908 C C . LYS B 13 ? 0.2330 0.2440 0.3517 -0.0726 0.0024 0.0159 21 LYS B C 909 O O . LYS B 13 ? 0.2484 0.2831 0.3808 -0.0745 0.0136 0.0219 21 LYS B O 910 C CB . LYS B 13 ? 0.3083 0.2867 0.4234 -0.0915 -0.0227 0.0205 21 LYS B CB 911 C CG . LYS B 13 ? 0.3539 0.3214 0.4789 -0.1060 -0.0433 0.0261 21 LYS B CG 912 C CD . LYS B 13 ? 0.3938 0.3451 0.5131 -0.1177 -0.0477 0.0327 21 LYS B CD 913 C CE . LYS B 13 ? 0.4062 0.3291 0.4999 -0.1054 -0.0499 0.0215 21 LYS B CE 914 N NZ . LYS B 13 ? 0.3970 0.3036 0.4821 -0.1128 -0.0553 0.0261 21 LYS B NZ 915 N N . LEU B 14 ? 0.2208 0.2171 0.3198 -0.0617 0.0055 0.0088 22 LEU B N 916 C CA . LEU B 14 ? 0.2141 0.2171 0.3062 -0.0533 0.0201 0.0083 22 LEU B CA 917 C C . LEU B 14 ? 0.2489 0.2700 0.3513 -0.0464 0.0239 0.0073 22 LEU B C 918 O O . LEU B 14 ? 0.2082 0.2423 0.3151 -0.0439 0.0347 0.0098 22 LEU B O 919 C CB . LEU B 14 ? 0.2454 0.2320 0.3179 -0.0442 0.0198 0.0032 22 LEU B CB 920 C CG . LEU B 14 ? 0.2444 0.2345 0.3097 -0.0372 0.0308 0.0043 22 LEU B CG 921 C CD1 . LEU B 14 ? 0.2654 0.2559 0.3300 -0.0430 0.0400 0.0092 22 LEU B CD1 922 C CD2 . LEU B 14 ? 0.2352 0.2151 0.2856 -0.0296 0.0291 0.0021 22 LEU B CD2 923 N N . TRP B 15 ? 0.2066 0.2270 0.3110 -0.0423 0.0138 0.0031 23 TRP B N 924 C CA . TRP B 15 ? 0.1873 0.2226 0.3011 -0.0354 0.0148 0.0020 23 TRP B CA 925 C C . TRP B 15 ? 0.1827 0.2417 0.3205 -0.0411 0.0183 0.0076 23 TRP B C 926 O O . TRP B 15 ? 0.1927 0.2669 0.3377 -0.0341 0.0262 0.0079 23 TRP B O 927 C CB . TRP B 15 ? 0.1937 0.2219 0.3028 -0.0308 0.0015 -0.0032 23 TRP B CB 928 C CG . TRP B 15 ? 0.1770 0.2169 0.2923 -0.0231 0.0012 -0.0042 23 TRP B CG 929 C CD1 . TRP B 15 ? 0.2085 0.2449 0.3109 -0.0135 0.0035 -0.0060 23 TRP B CD1 930 C CD2 . TRP B 15 ? 0.1723 0.2295 0.3093 -0.0251 -0.0034 -0.0022 23 TRP B CD2 931 N NE1 . TRP B 15 ? 0.2122 0.2597 0.3252 -0.0092 0.0000 -0.0060 23 TRP B NE1 932 C CE2 . TRP B 15 ? 0.1789 0.2400 0.3138 -0.0153 -0.0038 -0.0043 23 TRP B CE2 933 C CE3 . TRP B 15 ? 0.1880 0.2595 0.3478 -0.0350 -0.0079 0.0028 23 TRP B CE3 934 C CZ2 . TRP B 15 ? 0.2011 0.2785 0.3552 -0.0135 -0.0085 -0.0032 23 TRP B CZ2 935 C CZ3 . TRP B 15 ? 0.1995 0.2908 0.3805 -0.0337 -0.0118 0.0050 23 TRP B CZ3 936 C CH2 . TRP B 15 ? 0.2164 0.3098 0.3941 -0.0222 -0.0120 0.0011 23 TRP B CH2 937 N N . THR B 16 ? 0.1822 0.2453 0.3328 -0.0534 0.0116 0.0130 24 THR B N 938 C CA . THR B 16 ? 0.2250 0.3167 0.4017 -0.0604 0.0151 0.0214 24 THR B CA 939 C C . THR B 16 ? 0.2384 0.3450 0.4151 -0.0590 0.0328 0.0257 24 THR B C 940 O O . THR B 16 ? 0.2398 0.3731 0.4313 -0.0538 0.0420 0.0284 24 THR B O 941 C CB . THR B 16 ? 0.2493 0.3402 0.4395 -0.0767 0.0012 0.0288 24 THR B CB 942 O OG1 . THR B 16 ? 0.2941 0.3685 0.4808 -0.0753 -0.0169 0.0229 24 THR B OG1 943 C CG2 . THR B 16 ? 0.2480 0.3751 0.4691 -0.0860 0.0052 0.0413 24 THR B CG2 944 N N . LEU B 17 ? 0.2319 0.3206 0.3904 -0.0620 0.0370 0.0256 25 LEU B N 945 C CA . LEU B 17 ? 0.2161 0.3131 0.3685 -0.0604 0.0523 0.0288 25 LEU B CA 946 C C . LEU B 17 ? 0.2100 0.3082 0.3526 -0.0438 0.0614 0.0218 25 LEU B C 947 O O . LEU B 17 ? 0.2330 0.3510 0.3800 -0.0375 0.0728 0.0233 25 LEU B O 948 C CB . LEU B 17 ? 0.2880 0.3604 0.4210 -0.0669 0.0517 0.0296 25 LEU B CB 949 C CG . LEU B 17 ? 0.3372 0.4091 0.4562 -0.0644 0.0651 0.0313 25 LEU B CG 950 C CD1 . LEU B 17 ? 0.3289 0.4313 0.4621 -0.0701 0.0753 0.0409 25 LEU B CD1 951 C CD2 . LEU B 17 ? 0.3743 0.4190 0.4755 -0.0712 0.0609 0.0318 25 LEU B CD2 952 N N . VAL B 18 ? 0.1996 0.2766 0.3278 -0.0363 0.0555 0.0146 26 VAL B N 953 C CA . VAL B 18 ? 0.2008 0.2750 0.3202 -0.0222 0.0596 0.0092 26 VAL B CA 954 C C . VAL B 18 ? 0.1876 0.2858 0.3261 -0.0146 0.0602 0.0083 26 VAL B C 955 O O . VAL B 18 ? 0.1813 0.2878 0.3184 -0.0034 0.0675 0.0058 26 VAL B O 956 C CB . VAL B 18 ? 0.1793 0.2312 0.2836 -0.0177 0.0516 0.0050 26 VAL B CB 957 C CG1 . VAL B 18 ? 0.1682 0.2164 0.2655 -0.0049 0.0522 0.0016 26 VAL B CG1 958 C CG2 . VAL B 18 ? 0.1859 0.2173 0.2729 -0.0230 0.0515 0.0062 26 VAL B CG2 959 N N . SER B 19 ? 0.1794 0.2871 0.3347 -0.0195 0.0511 0.0098 27 SER B N 960 C CA . SER B 19 ? 0.2142 0.3435 0.3893 -0.0124 0.0487 0.0091 27 SER B CA 961 C C . SER B 19 ? 0.2275 0.3919 0.4254 -0.0128 0.0582 0.0152 27 SER B C 962 O O . SER B 19 ? 0.2105 0.3967 0.4255 -0.0036 0.0588 0.0143 27 SER B O 963 C CB . SER B 19 ? 0.2011 0.3273 0.3855 -0.0184 0.0339 0.0093 27 SER B CB 964 O OG . SER B 19 ? 0.1803 0.2803 0.3435 -0.0148 0.0266 0.0040 27 SER B OG 965 N N . ASP B 20 ? 0.1904 0.3627 0.3895 -0.0232 0.0655 0.0222 28 ASP B N 966 C CA . ASP B 20 ? 0.2336 0.4448 0.4540 -0.0244 0.0765 0.0306 28 ASP B CA 967 C C . ASP B 20 ? 0.2422 0.4618 0.4508 -0.0064 0.0909 0.0250 28 ASP B C 968 O O . ASP B 20 ? 0.2814 0.4809 0.4651 -0.0041 0.0969 0.0219 28 ASP B O 969 C CB . ASP B 20 ? 0.2167 0.4332 0.4408 -0.0429 0.0784 0.0420 28 ASP B CB 970 C CG . ASP B 20 ? 0.2660 0.5295 0.5154 -0.0468 0.0896 0.0547 28 ASP B CG 971 O OD1 . ASP B 20 ? 0.2820 0.5757 0.5471 -0.0331 0.0967 0.0533 28 ASP B OD1 972 O OD2 . ASP B 20 ? 0.3081 0.5754 0.5583 -0.0627 0.0898 0.0647 28 ASP B OD2 973 N N . PRO B 21 ? 0.2469 0.4951 0.4727 0.0077 0.0953 0.0232 29 PRO B N 974 C CA . PRO B 21 ? 0.2942 0.5460 0.5049 0.0286 0.1068 0.0152 29 PRO B CA 975 C C . PRO B 21 ? 0.3038 0.5720 0.5057 0.0274 0.1227 0.0207 29 PRO B C 976 O O . PRO B 21 ? 0.3102 0.5668 0.4876 0.0430 0.1301 0.0125 29 PRO B O 977 C CB . PRO B 21 ? 0.3157 0.6017 0.5523 0.0430 0.1076 0.0138 29 PRO B CB 978 C CG . PRO B 21 ? 0.3257 0.6383 0.5960 0.0253 0.1014 0.0262 29 PRO B CG 979 C CD . PRO B 21 ? 0.2453 0.5215 0.5034 0.0066 0.0884 0.0275 29 PRO B CD 980 N N . ASP B 22 ? 0.3344 0.6269 0.5543 0.0088 0.1263 0.0349 30 ASP B N 981 C CA . ASP B 22 ? 0.3559 0.6590 0.5632 0.0049 0.1378 0.0395 30 ASP B CA 982 C C . ASP B 22 ? 0.3680 0.6395 0.5464 -0.0018 0.1399 0.0395 30 ASP B C 983 O O . ASP B 22 ? 0.3865 0.6606 0.5485 -0.0029 0.1488 0.0417 30 ASP B O 984 C CB . ASP B 22 ? 0.4057 0.7340 0.6364 -0.0146 0.1352 0.0534 30 ASP B CB 985 C CG . ASP B 22 ? 0.4458 0.8109 0.7031 -0.0065 0.1370 0.0552 30 ASP B CG 986 O OD1 . ASP B 22 ? 0.4049 0.7812 0.6565 0.0157 0.1459 0.0459 30 ASP B OD1 987 O OD2 . ASP B 22 ? 0.5191 0.8998 0.8021 -0.0219 0.1281 0.0656 30 ASP B OD2 988 N N . THR B 23 ? 0.2840 0.5171 0.4515 -0.0072 0.1278 0.0346 31 THR B N 989 C CA . THR B 23 ? 0.2897 0.4859 0.4280 -0.0132 0.1260 0.0325 31 THR B CA 990 C C . THR B 23 ? 0.2671 0.4309 0.3780 0.0040 0.1236 0.0187 31 THR B C 991 O O . THR B 23 ? 0.2887 0.4208 0.3754 0.0008 0.1209 0.0165 31 THR B O 992 C CB . THR B 23 ? 0.2892 0.4607 0.4302 -0.0319 0.1117 0.0361 31 THR B CB 993 O OG1 . THR B 23 ? 0.2898 0.4462 0.4347 -0.0265 0.1000 0.0282 31 THR B OG1 994 C CG2 . THR B 23 ? 0.2996 0.4970 0.4665 -0.0506 0.1093 0.0503 31 THR B CG2 995 N N . ASP B 24 ? 0.2809 0.4521 0.3965 0.0216 0.1230 0.0107 32 ASP B N 996 C CA . ASP B 24 ? 0.2661 0.4033 0.3586 0.0359 0.1155 -0.0009 32 ASP B CA 997 C C . ASP B 24 ? 0.2733 0.3894 0.3339 0.0447 0.1205 -0.0059 32 ASP B C 998 O O . ASP B 24 ? 0.3143 0.3948 0.3536 0.0503 0.1109 -0.0124 32 ASP B O 999 C CB . ASP B 24 ? 0.2966 0.4470 0.4003 0.0543 0.1131 -0.0083 32 ASP B CB 1000 C CG . ASP B 24 ? 0.3144 0.4687 0.4409 0.0473 0.1019 -0.0062 32 ASP B CG 1001 O OD1 . ASP B 24 ? 0.3176 0.4603 0.4471 0.0301 0.0954 -0.0009 32 ASP B OD1 1002 O OD2 . ASP B 24 ? 0.3518 0.5193 0.4914 0.0602 0.0988 -0.0107 32 ASP B OD2 1003 N N . ALA B 25 ? 0.2848 0.4230 0.3414 0.0456 0.1343 -0.0017 33 ALA B N 1004 C CA . ALA B 25 ? 0.3396 0.4558 0.3625 0.0530 0.1382 -0.0061 33 ALA B CA 1005 C C . ALA B 25 ? 0.3345 0.4144 0.3418 0.0360 0.1296 -0.0023 33 ALA B C 1006 O O . ALA B 25 ? 0.3490 0.3974 0.3276 0.0414 0.1255 -0.0074 33 ALA B O 1007 C CB . ALA B 25 ? 0.4190 0.5707 0.4405 0.0567 0.1558 -0.0007 33 ALA B CB 1008 N N . LEU B 26 ? 0.2856 0.3693 0.3117 0.0163 0.1256 0.0064 34 LEU B N 1009 C CA . LEU B 26 ? 0.2600 0.3133 0.2743 0.0016 0.1176 0.0100 34 LEU B CA 1010 C C . LEU B 26 ? 0.2352 0.2704 0.2579 -0.0037 0.1043 0.0085 34 LEU B C 1011 O O . LEU B 26 ? 0.2912 0.2988 0.3009 -0.0090 0.0966 0.0087 34 LEU B O 1012 C CB . LEU B 26 ? 0.2873 0.3552 0.3103 -0.0164 0.1226 0.0214 34 LEU B CB 1013 C CG . LEU B 26 ? 0.3582 0.4377 0.3655 -0.0151 0.1350 0.0257 34 LEU B CG 1014 C CD1 . LEU B 26 ? 0.3832 0.4779 0.4025 -0.0358 0.1373 0.0397 34 LEU B CD1 1015 C CD2 . LEU B 26 ? 0.4042 0.4469 0.3773 -0.0089 0.1316 0.0195 34 LEU B CD2 1016 N N . ILE B 27 ? 0.2516 0.3046 0.2963 -0.0020 0.1016 0.0078 35 ILE B N 1017 C CA . ILE B 27 ? 0.2517 0.2900 0.3019 -0.0058 0.0898 0.0066 35 ILE B CA 1018 C C . ILE B 27 ? 0.2569 0.3116 0.3244 0.0028 0.0868 0.0031 35 ILE B C 1019 O O . ILE B 27 ? 0.2097 0.2931 0.2976 0.0017 0.0914 0.0057 35 ILE B O 1020 C CB . ILE B 27 ? 0.2355 0.2722 0.2944 -0.0221 0.0855 0.0126 35 ILE B CB 1021 C CG1 . ILE B 27 ? 0.2468 0.2708 0.3082 -0.0228 0.0744 0.0104 35 ILE B CG1 1022 C CG2 . ILE B 27 ? 0.2521 0.3178 0.3327 -0.0306 0.0897 0.0189 35 ILE B CG2 1023 C CD1 . ILE B 27 ? 0.2648 0.2773 0.3251 -0.0340 0.0682 0.0134 35 ILE B CD1 1024 N N . CYS B 28 ? 0.2410 0.2784 0.3013 0.0106 0.0781 -0.0015 36 CYS B N 1025 C CA . CYS B 28 ? 0.2257 0.2749 0.2989 0.0207 0.0740 -0.0053 36 CYS B CA 1026 C C . CYS B 28 ? 0.2176 0.2468 0.2849 0.0219 0.0615 -0.0061 36 CYS B C 1027 O O . CYS B 28 ? 0.2466 0.2531 0.2980 0.0181 0.0568 -0.0041 36 CYS B O 1028 C CB . CYS B 28 ? 0.2739 0.3288 0.3411 0.0377 0.0791 -0.0114 36 CYS B CB 1029 S SG . CYS B 28 ? 0.3524 0.3677 0.3878 0.0480 0.0709 -0.0169 36 CYS B SG 1030 N N . TRP B 29 ? 0.2189 0.2591 0.3003 0.0267 0.0559 -0.0077 37 TRP B N 1031 C CA . TRP B 29 ? 0.1926 0.2171 0.2683 0.0289 0.0439 -0.0073 37 TRP B CA 1032 C C . TRP B 29 ? 0.2218 0.2252 0.2811 0.0394 0.0380 -0.0101 37 TRP B C 1033 O O . TRP B 29 ? 0.2315 0.2374 0.2883 0.0513 0.0416 -0.0159 37 TRP B O 1034 C CB . TRP B 29 ? 0.2031 0.2438 0.2970 0.0321 0.0382 -0.0084 37 TRP B CB 1035 C CG . TRP B 29 ? 0.2124 0.2670 0.3198 0.0214 0.0381 -0.0056 37 TRP B CG 1036 C CD1 . TRP B 29 ? 0.2108 0.2896 0.3395 0.0189 0.0411 -0.0051 37 TRP B CD1 1037 C CD2 . TRP B 29 ? 0.1851 0.2295 0.2850 0.0128 0.0329 -0.0028 37 TRP B CD2 1038 N NE1 . TRP B 29 ? 0.1728 0.2520 0.3061 0.0082 0.0358 -0.0027 37 TRP B NE1 1039 C CE2 . TRP B 29 ? 0.1773 0.2354 0.2917 0.0060 0.0313 -0.0024 37 TRP B CE2 1040 C CE3 . TRP B 29 ? 0.1977 0.2242 0.2802 0.0108 0.0291 0.0001 37 TRP B CE3 1041 C CZ2 . TRP B 29 ? 0.2140 0.2644 0.3224 -0.0004 0.0253 -0.0018 37 TRP B CZ2 1042 C CZ3 . TRP B 29 ? 0.2135 0.2385 0.2923 0.0050 0.0258 0.0015 37 TRP B CZ3 1043 C CH2 . TRP B 29 ? 0.1751 0.2100 0.2649 0.0006 0.0236 -0.0007 37 TRP B CH2 1044 N N . SER B 30 ? 0.2436 0.2268 0.2917 0.0359 0.0276 -0.0055 38 SER B N 1045 C CA . SER B 30 ? 0.2535 0.2143 0.2886 0.0445 0.0161 -0.0064 38 SER B CA 1046 C C . SER B 30 ? 0.2678 0.2364 0.3140 0.0553 0.0092 -0.0106 38 SER B C 1047 O O . SER B 30 ? 0.2541 0.2445 0.3178 0.0533 0.0120 -0.0106 38 SER B O 1048 C CB . SER B 30 ? 0.2508 0.1930 0.2752 0.0352 0.0057 0.0035 38 SER B CB 1049 O OG . SER B 30 ? 0.2466 0.2010 0.2807 0.0301 0.0021 0.0085 38 SER B OG 1050 N N . PRO B 31 ? 0.2783 0.2269 0.3139 0.0672 -0.0018 -0.0144 39 PRO B N 1051 C CA . PRO B 31 ? 0.2554 0.2102 0.3017 0.0791 -0.0097 -0.0190 39 PRO B CA 1052 C C . PRO B 31 ? 0.2705 0.2315 0.3270 0.0704 -0.0179 -0.0115 39 PRO B C 1053 O O . PRO B 31 ? 0.2613 0.2408 0.3345 0.0755 -0.0183 -0.0146 39 PRO B O 1054 C CB . PRO B 31 ? 0.3697 0.2916 0.3970 0.0911 -0.0251 -0.0228 39 PRO B CB 1055 C CG . PRO B 31 ? 0.3621 0.2704 0.3716 0.0914 -0.0186 -0.0254 39 PRO B CG 1056 C CD . PRO B 31 ? 0.3082 0.2271 0.3214 0.0722 -0.0084 -0.0162 39 PRO B CD 1057 N N . SER B 32 ? 0.2636 0.2119 0.3103 0.0577 -0.0240 -0.0012 40 SER B N 1058 C CA . SER B 32 ? 0.2601 0.2147 0.3117 0.0504 -0.0314 0.0067 40 SER B CA 1059 C C . SER B 32 ? 0.2483 0.2284 0.3126 0.0440 -0.0203 0.0059 40 SER B C 1060 O O . SER B 32 ? 0.2404 0.2288 0.3097 0.0414 -0.0257 0.0092 40 SER B O 1061 C CB . SER B 32 ? 0.3193 0.2582 0.3569 0.0393 -0.0396 0.0198 40 SER B CB 1062 O OG . SER B 32 ? 0.3400 0.2877 0.3754 0.0298 -0.0278 0.0232 40 SER B OG 1063 N N . GLY B 33 ? 0.2219 0.2118 0.2895 0.0412 -0.0067 0.0020 41 GLY B N 1064 C CA . GLY B 33 ? 0.2110 0.2192 0.2882 0.0338 0.0009 0.0018 41 GLY B CA 1065 C C . GLY B 33 ? 0.2000 0.2043 0.2663 0.0241 0.0014 0.0085 41 GLY B C 1066 O O . GLY B 33 ? 0.2035 0.2186 0.2741 0.0197 0.0045 0.0074 41 GLY B O 1067 N N . ASN B 34 ? 0.1853 0.1746 0.2378 0.0215 -0.0030 0.0158 42 ASN B N 1068 C CA . ASN B 34 ? 0.1805 0.1713 0.2241 0.0141 -0.0023 0.0239 42 ASN B CA 1069 C C . ASN B 34 ? 0.2038 0.1916 0.2427 0.0092 0.0065 0.0241 42 ASN B C 1070 O O . ASN B 34 ? 0.2243 0.2170 0.2580 0.0050 0.0087 0.0292 42 ASN B O 1071 C CB . ASN B 34 ? 0.1911 0.1722 0.2251 0.0115 -0.0127 0.0359 42 ASN B CB 1072 C CG . ASN B 34 ? 0.3487 0.3314 0.3846 0.0148 -0.0236 0.0384 42 ASN B CG 1073 O OD1 . ASN B 34 ? 0.3652 0.3591 0.4085 0.0183 -0.0229 0.0322 42 ASN B OD1 1074 N ND2 . ASN B 34 ? 0.3724 0.3427 0.4015 0.0123 -0.0356 0.0491 42 ASN B ND2 1075 N N . SER B 35 ? 0.2117 0.1920 0.2512 0.0108 0.0111 0.0190 43 SER B N 1076 C CA . SER B 35 ? 0.2329 0.2072 0.2665 0.0058 0.0180 0.0198 43 SER B CA 1077 C C . SER B 35 ? 0.2467 0.2246 0.2857 0.0079 0.0264 0.0117 43 SER B C 1078 O O . SER B 35 ? 0.2208 0.2064 0.2683 0.0144 0.0269 0.0062 43 SER B O 1079 C CB . SER B 35 ? 0.2351 0.1904 0.2567 0.0040 0.0116 0.0270 43 SER B CB 1080 O OG . SER B 35 ? 0.2859 0.2394 0.3048 0.0019 0.0015 0.0370 43 SER B OG 1081 N N . PHE B 36 ? 0.2056 0.1802 0.2403 0.0026 0.0331 0.0118 44 PHE B N 1082 C CA . PHE B 36 ? 0.2365 0.2155 0.2741 0.0037 0.0414 0.0067 44 PHE B CA 1083 C C . PHE B 36 ? 0.2423 0.2050 0.2654 0.0017 0.0440 0.0081 44 PHE B C 1084 O O . PHE B 36 ? 0.2383 0.1889 0.2530 -0.0036 0.0402 0.0136 44 PHE B O 1085 C CB . PHE B 36 ? 0.2507 0.2455 0.3008 -0.0025 0.0465 0.0053 44 PHE B CB 1086 C CG . PHE B 36 ? 0.2234 0.2117 0.2680 -0.0107 0.0470 0.0082 44 PHE B CG 1087 C CD1 . PHE B 36 ? 0.2662 0.2538 0.3090 -0.0115 0.0416 0.0100 44 PHE B CD1 1088 C CD2 . PHE B 36 ? 0.2020 0.1858 0.2426 -0.0162 0.0526 0.0090 44 PHE B CD2 1089 C CE1 . PHE B 36 ? 0.2431 0.2255 0.2809 -0.0161 0.0416 0.0113 44 PHE B CE1 1090 C CE2 . PHE B 36 ? 0.2629 0.2392 0.2990 -0.0228 0.0514 0.0113 44 PHE B CE2 1091 C CZ . PHE B 36 ? 0.2546 0.2302 0.2898 -0.0219 0.0458 0.0118 44 PHE B CZ 1092 N N . HIS B 37 ? 0.2304 0.1941 0.2502 0.0070 0.0499 0.0035 45 HIS B N 1093 C CA . HIS B 37 ? 0.2432 0.1904 0.2460 0.0068 0.0521 0.0035 45 HIS B CA 1094 C C . HIS B 37 ? 0.2380 0.1955 0.2430 -0.0002 0.0625 0.0042 45 HIS B C 1095 O O . HIS B 37 ? 0.2537 0.2333 0.2726 -0.0004 0.0695 0.0029 45 HIS B O 1096 C CB . HIS B 37 ? 0.2468 0.1859 0.2386 0.0205 0.0510 -0.0030 45 HIS B CB 1097 C CG . HIS B 37 ? 0.3029 0.2237 0.2883 0.0267 0.0370 -0.0028 45 HIS B CG 1098 N ND1 . HIS B 37 ? 0.3643 0.2558 0.3314 0.0259 0.0259 0.0003 45 HIS B ND1 1099 C CD2 . HIS B 37 ? 0.3826 0.3088 0.3776 0.0327 0.0304 -0.0041 45 HIS B CD2 1100 C CE1 . HIS B 37 ? 0.3714 0.2508 0.3373 0.0305 0.0125 0.0016 45 HIS B CE1 1101 N NE2 . HIS B 37 ? 0.3901 0.2901 0.3722 0.0350 0.0153 -0.0012 45 HIS B NE2 1102 N N . VAL B 38 ? 0.2567 0.1982 0.2485 -0.0067 0.0621 0.0076 46 VAL B N 1103 C CA . VAL B 38 ? 0.2571 0.2030 0.2457 -0.0130 0.0704 0.0091 46 VAL B CA 1104 C C . VAL B 38 ? 0.2913 0.2206 0.2573 -0.0070 0.0718 0.0068 46 VAL B C 1105 O O . VAL B 38 ? 0.3416 0.2461 0.2928 -0.0069 0.0631 0.0081 46 VAL B O 1106 C CB . VAL B 38 ? 0.2813 0.2206 0.2717 -0.0252 0.0675 0.0145 46 VAL B CB 1107 C CG1 . VAL B 38 ? 0.2913 0.2314 0.2764 -0.0329 0.0738 0.0174 46 VAL B CG1 1108 C CG2 . VAL B 38 ? 0.2771 0.2299 0.2853 -0.0285 0.0647 0.0148 46 VAL B CG2 1109 N N . PHE B 39 ? 0.2980 0.2417 0.2610 -0.0019 0.0821 0.0041 47 PHE B N 1110 C CA . PHE B 39 ? 0.3546 0.2835 0.2921 0.0066 0.0843 0.0004 47 PHE B CA 1111 C C . PHE B 39 ? 0.4112 0.3414 0.3397 -0.0032 0.0915 0.0058 47 PHE B C 1112 O O . PHE B 39 ? 0.4268 0.3774 0.3719 -0.0143 0.0975 0.0118 47 PHE B O 1113 C CB . PHE B 39 ? 0.3806 0.3266 0.3165 0.0238 0.0916 -0.0071 47 PHE B CB 1114 C CG . PHE B 39 ? 0.3691 0.3130 0.3131 0.0346 0.0834 -0.0127 47 PHE B CG 1115 C CD1 . PHE B 39 ? 0.4057 0.3167 0.3321 0.0417 0.0691 -0.0165 47 PHE B CD1 1116 C CD2 . PHE B 39 ? 0.3830 0.3568 0.3523 0.0371 0.0881 -0.0131 47 PHE B CD2 1117 C CE1 . PHE B 39 ? 0.4232 0.3306 0.3565 0.0506 0.0597 -0.0203 47 PHE B CE1 1118 C CE2 . PHE B 39 ? 0.3715 0.3420 0.3474 0.0471 0.0795 -0.0179 47 PHE B CE2 1119 C CZ . PHE B 39 ? 0.4124 0.3496 0.3699 0.0538 0.0653 -0.0214 47 PHE B CZ 1120 N N . ASP B 40 ? 0.4243 0.3305 0.3253 0.0005 0.0889 0.0040 48 ASP B N 1121 C CA . ASP B 40 ? 0.4147 0.3223 0.3015 -0.0057 0.0967 0.0083 48 ASP B CA 1122 C C . ASP B 40 ? 0.3645 0.2795 0.2676 -0.0247 0.0971 0.0180 48 ASP B C 1123 O O . ASP B 40 ? 0.3644 0.3056 0.2803 -0.0316 0.1063 0.0234 48 ASP B O 1124 C CB . ASP B 40 ? 0.4713 0.4084 0.3551 0.0049 0.1119 0.0059 48 ASP B CB 1125 C CG . ASP B 40 ? 0.5553 0.4816 0.4170 0.0274 0.1109 -0.0058 48 ASP B CG 1126 O OD1 . ASP B 40 ? 0.5965 0.4851 0.4371 0.0320 0.0971 -0.0106 48 ASP B OD1 1127 O OD2 . ASP B 40 ? 0.6035 0.5586 0.4688 0.0411 0.1225 -0.0099 48 ASP B OD2 1128 N N . GLN B 41 ? 0.3643 0.3755 0.2347 0.0329 0.0333 -0.0065 49 GLN B N 1129 C CA . GLN B 41 ? 0.3240 0.3318 0.2039 0.0172 0.0323 0.0070 49 GLN B CA 1130 C C . GLN B 41 ? 0.3579 0.3899 0.2458 0.0112 0.0545 0.0210 49 GLN B C 1131 O O . GLN B 41 ? 0.3710 0.4111 0.2816 -0.0004 0.0573 0.0323 49 GLN B O 1132 C CB . GLN B 41 ? 0.3200 0.2930 0.1624 0.0104 0.0182 0.0079 49 GLN B CB 1133 C CG . GLN B 41 ? 0.3236 0.2729 0.1669 0.0116 -0.0052 -0.0022 49 GLN B CG 1134 C CD . GLN B 41 ? 0.3870 0.3026 0.1953 0.0038 -0.0185 0.0000 49 GLN B CD 1135 O OE1 . GLN B 41 ? 0.3975 0.3095 0.1927 -0.0067 -0.0118 0.0119 49 GLN B OE1 1136 N NE2 . GLN B 41 ? 0.3693 0.2599 0.1620 0.0089 -0.0373 -0.0115 49 GLN B NE2 1137 N N . GLY B 42 ? 0.3857 0.4293 0.2552 0.0193 0.0702 0.0202 50 GLY B N 1138 C CA . GLY B 42 ? 0.3908 0.4595 0.2685 0.0152 0.0925 0.0328 50 GLY B CA 1139 C C . GLY B 42 ? 0.3851 0.4843 0.3128 0.0145 0.1009 0.0362 50 GLY B C 1140 O O . GLY B 42 ? 0.3850 0.4998 0.3326 0.0046 0.1117 0.0494 50 GLY B O 1141 N N . GLN B 43 ? 0.3388 0.4459 0.2871 0.0251 0.0952 0.0243 51 GLN B N 1142 C CA . GLN B 43 ? 0.3347 0.4706 0.3315 0.0259 0.1019 0.0258 51 GLN B CA 1143 C C . GLN B 43 ? 0.3185 0.4475 0.3443 0.0157 0.0868 0.0285 51 GLN B C 1144 O O . GLN B 43 ? 0.3109 0.4608 0.3731 0.0087 0.0943 0.0374 51 GLN B O 1145 C CB . GLN B 43 ? 0.3705 0.5177 0.3778 0.0416 0.1019 0.0115 51 GLN B CB 1146 C CG . GLN B 43 ? 0.4642 0.6462 0.5172 0.0447 0.1150 0.0136 51 GLN B CG 1147 C CD . GLN B 43 ? 0.5424 0.7495 0.5968 0.0432 0.1399 0.0249 51 GLN B CD 1148 O OE1 . GLN B 43 ? 0.5748 0.7741 0.5930 0.0431 0.1479 0.0287 51 GLN B OE1 1149 N NE2 . GLN B 43 ? 0.5616 0.7989 0.6577 0.0421 0.1521 0.0305 51 GLN B NE2 1150 N N . PHE B 44 ? 0.3140 0.4137 0.3238 0.0150 0.0653 0.0207 52 PHE B N 1151 C CA . PHE B 44 ? 0.2993 0.3886 0.3323 0.0058 0.0487 0.0221 52 PHE B CA 1152 C C . PHE B 44 ? 0.3148 0.4069 0.3559 -0.0100 0.0546 0.0383 52 PHE B C 1153 O O . PHE B 44 ? 0.2770 0.3802 0.3547 -0.0175 0.0526 0.0437 52 PHE B O 1154 C CB . PHE B 44 ? 0.3346 0.3883 0.3392 0.0073 0.0259 0.0122 52 PHE B CB 1155 C CG . PHE B 44 ? 0.2992 0.3401 0.3251 -0.0010 0.0072 0.0121 52 PHE B CG 1156 C CD1 . PHE B 44 ? 0.2823 0.3271 0.3363 0.0054 -0.0043 0.0019 52 PHE B CD1 1157 C CD2 . PHE B 44 ? 0.3107 0.3345 0.3272 -0.0148 0.0008 0.0218 52 PHE B CD2 1158 C CE1 . PHE B 44 ? 0.3261 0.3590 0.3990 -0.0020 -0.0216 0.0016 52 PHE B CE1 1159 C CE2 . PHE B 44 ? 0.2929 0.3044 0.3277 -0.0222 -0.0163 0.0214 52 PHE B CE2 1160 C CZ . PHE B 44 ? 0.3079 0.3238 0.3707 -0.0158 -0.0276 0.0113 52 PHE B CZ 1161 N N . ALA B 45 ? 0.3230 0.4052 0.3299 -0.0149 0.0623 0.0461 53 ALA B N 1162 C CA . ALA B 45 ? 0.3099 0.3924 0.3202 -0.0298 0.0678 0.0615 53 ALA B CA 1163 C C . ALA B 45 ? 0.3414 0.4586 0.3857 -0.0331 0.0883 0.0723 53 ALA B C 1164 O O . ALA B 45 ? 0.3622 0.4854 0.4283 -0.0452 0.0901 0.0835 53 ALA B O 1165 C CB . ALA B 45 ? 0.3884 0.4510 0.3519 -0.0335 0.0705 0.0665 53 ALA B CB 1166 N N . LYS B 46 ? 0.3290 0.4689 0.3781 -0.0223 0.1038 0.0690 54 LYS B N 1167 C CA . LYS B 46 ? 0.3842 0.5581 0.4648 -0.0242 0.1245 0.0789 54 LYS B CA 1168 C C . LYS B 46 ? 0.3760 0.5700 0.5070 -0.0232 0.1218 0.0761 54 LYS B C 1169 O O . LYS B 46 ? 0.3975 0.6127 0.5609 -0.0308 0.1322 0.0868 54 LYS B O 1170 C CB . LYS B 46 ? 0.4669 0.6573 0.5317 -0.0129 0.1427 0.0765 54 LYS B CB 1171 C CG . LYS B 46 ? 0.5673 0.7385 0.5819 -0.0124 0.1453 0.0779 54 LYS B CG 1172 C CD . LYS B 46 ? 0.6366 0.8191 0.6327 0.0016 0.1584 0.0710 54 LYS B CD 1173 C CE . LYS B 46 ? 0.6322 0.8495 0.6516 0.0027 0.1823 0.0798 54 LYS B CE 1174 N NZ . LYS B 46 ? 0.6579 0.8791 0.6514 0.0141 0.1929 0.0728 54 LYS B NZ 1175 N N . GLU B 47 ? 0.3438 0.5311 0.4815 -0.0137 0.1078 0.0619 55 GLU B N 1176 C CA . GLU B 47 ? 0.3692 0.5769 0.5538 -0.0106 0.1059 0.0577 55 GLU B CA 1177 C C . GLU B 47 ? 0.3564 0.5500 0.5619 -0.0189 0.0860 0.0567 55 GLU B C 1178 O O . GLU B 47 ? 0.3509 0.5625 0.5980 -0.0242 0.0877 0.0615 55 GLU B O 1179 C CB . GLU B 47 ? 0.4115 0.6242 0.5958 0.0058 0.1038 0.0424 55 GLU B CB 1180 C CG . GLU B 47 ? 0.4941 0.7260 0.6661 0.0156 0.1244 0.0422 55 GLU B CG 1181 C CD . GLU B 47 ? 0.5786 0.8199 0.7595 0.0313 0.1231 0.0275 55 GLU B CD 1182 O OE1 . GLU B 47 ? 0.5831 0.8263 0.7935 0.0337 0.1108 0.0202 55 GLU B OE1 1183 O OE2 . GLU B 47 ? 0.6343 0.8809 0.7927 0.0414 0.1343 0.0233 55 GLU B OE2 1184 N N . VAL B 48 ? 0.2669 0.4283 0.4435 -0.0198 0.0669 0.0502 56 VAL B N 1185 C CA . VAL B 48 ? 0.2554 0.4011 0.4489 -0.0251 0.0459 0.0463 56 VAL B CA 1186 C C . VAL B 48 ? 0.2596 0.3917 0.4510 -0.0412 0.0405 0.0582 56 VAL B C 1187 O O . VAL B 48 ? 0.2397 0.3802 0.4663 -0.0492 0.0365 0.0631 56 VAL B O 1188 C CB . VAL B 48 ? 0.3187 0.4364 0.4846 -0.0166 0.0264 0.0316 56 VAL B CB 1189 C CG1 . VAL B 48 ? 0.2929 0.3920 0.4726 -0.0229 0.0043 0.0284 56 VAL B CG1 1190 C CG2 . VAL B 48 ? 0.3348 0.4663 0.5084 -0.0007 0.0298 0.0191 56 VAL B CG2 1191 N N . LEU B 49 ? 0.2902 0.4011 0.4407 -0.0460 0.0402 0.0628 57 LEU B N 1192 C CA . LEU B 49 ? 0.2815 0.3764 0.4258 -0.0610 0.0340 0.0734 57 LEU B CA 1193 C C . LEU B 49 ? 0.2938 0.4119 0.4724 -0.0720 0.0468 0.0877 57 LEU B C 1194 O O . LEU B 49 ? 0.3268 0.4379 0.5230 -0.0827 0.0369 0.0926 57 LEU B O 1195 C CB . LEU B 49 ? 0.3439 0.4177 0.4393 -0.0636 0.0365 0.0774 57 LEU B CB 1196 C CG . LEU B 49 ? 0.3233 0.3663 0.3809 -0.0567 0.0199 0.0652 57 LEU B CG 1197 C CD1 . LEU B 49 ? 0.3799 0.4025 0.3925 -0.0616 0.0225 0.0712 57 LEU B CD1 1198 C CD2 . LEU B 49 ? 0.2981 0.3213 0.3668 -0.0600 -0.0032 0.0589 57 LEU B CD2 1199 N N . PRO B 50 ? 0.3104 0.4557 0.4981 -0.0696 0.0690 0.0945 58 PRO B N 1200 C CA . PRO B 50 ? 0.2958 0.4644 0.5158 -0.0800 0.0828 0.1087 58 PRO B CA 1201 C C . PRO B 50 ? 0.3060 0.4900 0.5757 -0.0822 0.0767 0.1073 58 PRO B C 1202 O O . PRO B 50 ? 0.3801 0.5625 0.6560 -0.0882 0.0763 0.1094 58 PRO B O 1203 C CB . PRO B 50 ? 0.3426 0.5374 0.5614 -0.0730 0.1066 0.1126 58 PRO B CB 1204 C CG . PRO B 50 ? 0.3829 0.5602 0.5552 -0.0637 0.1054 0.1046 58 PRO B CG 1205 C CD . PRO B 50 ? 0.3438 0.4981 0.5086 -0.0578 0.0827 0.0901 58 PRO B CD 1206 N N . LYS B 51 ? 0.2794 0.4646 0.5622 -0.0716 0.0668 0.0938 59 LYS B N 1207 C CA . LYS B 51 ? 0.2642 0.4651 0.5949 -0.0728 0.0611 0.0918 59 LYS B CA 1208 C C . LYS B 51 ? 0.2599 0.4360 0.5939 -0.0778 0.0364 0.0861 59 LYS B C 1209 O O . LYS B 51 ? 0.3383 0.5196 0.7031 -0.0843 0.0308 0.0888 59 LYS B O 1210 C CB . LYS B 51 ? 0.3065 0.5284 0.6565 -0.0583 0.0667 0.0813 59 LYS B CB 1211 C CG . LYS B 51 ? 0.3757 0.6287 0.7363 -0.0552 0.0923 0.0888 59 LYS B CG 1212 C CD . LYS B 51 ? 0.4042 0.6822 0.7946 -0.0428 0.0985 0.0802 59 LYS B CD 1213 C CE . LYS B 51 ? 0.4518 0.7206 0.8113 -0.0281 0.0963 0.0670 59 LYS B CE 1214 N NZ . LYS B 51 ? 0.4488 0.7470 0.8332 -0.0164 0.1099 0.0619 59 LYS B NZ 1215 N N . TYR B 52 ? 0.2526 0.3989 0.5496 -0.0738 0.0213 0.0772 60 TYR B N 1216 C CA . TYR B 52 ? 0.2669 0.3898 0.5666 -0.0768 -0.0026 0.0703 60 TYR B CA 1217 C C . TYR B 52 ? 0.2832 0.3758 0.5518 -0.0877 -0.0134 0.0758 60 TYR B C 1218 O O . TYR B 52 ? 0.2990 0.3720 0.5650 -0.0900 -0.0300 0.0714 60 TYR B O 1219 C CB . TYR B 52 ? 0.2645 0.3767 0.5529 -0.0628 -0.0149 0.0538 60 TYR B CB 1220 C CG . TYR B 52 ? 0.3052 0.4466 0.6269 -0.0521 -0.0059 0.0478 60 TYR B CG 1221 C CD1 . TYR B 52 ? 0.3483 0.5089 0.7179 -0.0550 -0.0077 0.0489 60 TYR B CD1 1222 C CD2 . TYR B 52 ? 0.3152 0.4655 0.6209 -0.0392 0.0046 0.0411 60 TYR B CD2 1223 C CE1 . TYR B 52 ? 0.3674 0.5550 0.7683 -0.0453 0.0007 0.0436 60 TYR B CE1 1224 C CE2 . TYR B 52 ? 0.3404 0.5175 0.6767 -0.0293 0.0131 0.0355 60 TYR B CE2 1225 C CZ . TYR B 52 ? 0.3899 0.5856 0.7738 -0.0325 0.0111 0.0369 60 TYR B CZ 1226 O OH . TYR B 52 ? 0.4586 0.6813 0.8738 -0.0227 0.0197 0.0316 60 TYR B OH 1227 N N . PHE B 53 ? 0.3262 0.2002 0.3266 -0.0538 -0.0221 0.0251 61 PHE B N 1228 C CA . PHE B 53 ? 0.3630 0.2341 0.3654 -0.0437 -0.0206 0.0211 61 PHE B CA 1229 C C . PHE B 53 ? 0.3340 0.1992 0.3358 -0.0381 -0.0245 0.0253 61 PHE B C 1230 O O . PHE B 53 ? 0.3386 0.2161 0.3482 -0.0327 -0.0244 0.0260 61 PHE B O 1231 C CB . PHE B 53 ? 0.3464 0.2370 0.3595 -0.0397 -0.0161 0.0170 61 PHE B CB 1232 C CG . PHE B 53 ? 0.3442 0.2418 0.3582 -0.0454 -0.0121 0.0132 61 PHE B CG 1233 C CD1 . PHE B 53 ? 0.3440 0.2330 0.3536 -0.0436 -0.0091 0.0079 61 PHE B CD1 1234 C CD2 . PHE B 53 ? 0.3552 0.2672 0.3736 -0.0524 -0.0116 0.0150 61 PHE B CD2 1235 C CE1 . PHE B 53 ? 0.3497 0.2446 0.3595 -0.0486 -0.0055 0.0044 61 PHE B CE1 1236 C CE2 . PHE B 53 ? 0.3302 0.2481 0.3489 -0.0576 -0.0081 0.0115 61 PHE B CE2 1237 C CZ . PHE B 53 ? 0.2998 0.2091 0.3143 -0.0558 -0.0050 0.0063 61 PHE B CZ 1238 N N . LYS B 54 ? 0.3557 0.2016 0.3480 -0.0394 -0.0282 0.0280 62 LYS B N 1239 C CA . LYS B 54 ? 0.3554 0.1942 0.3457 -0.0361 -0.0326 0.0333 62 LYS B CA 1240 C C . LYS B 54 ? 0.3446 0.1856 0.3392 -0.0248 -0.0322 0.0310 62 LYS B C 1241 O O . LYS B 54 ? 0.3461 0.1829 0.3403 -0.0188 -0.0298 0.0256 62 LYS B O 1242 C CB . LYS B 54 ? 0.4044 0.2204 0.3835 -0.0395 -0.0365 0.0361 62 LYS B CB 1243 C CG . LYS B 54 ? 0.4364 0.2507 0.4120 -0.0510 -0.0378 0.0401 62 LYS B CG 1244 C CD . LYS B 54 ? 0.4656 0.2572 0.4309 -0.0545 -0.0422 0.0433 62 LYS B CD 1245 C CE . LYS B 54 ? 0.4934 0.2861 0.4566 -0.0655 -0.0429 0.0469 62 LYS B CE 1246 N NZ . LYS B 54 ? 0.5391 0.3204 0.4960 -0.0661 -0.0450 0.0489 62 LYS B NZ 1247 N N . HIS B 55 ? 0.3217 0.1699 0.3205 -0.0218 -0.0345 0.0352 63 HIS B N 1248 C CA . HIS B 55 ? 0.3460 0.1961 0.3490 -0.0111 -0.0350 0.0339 63 HIS B CA 1249 C C . HIS B 55 ? 0.3523 0.2205 0.3662 -0.0061 -0.0306 0.0286 63 HIS B C 1250 O O . HIS B 55 ? 0.3597 0.2277 0.3766 0.0031 -0.0296 0.0255 63 HIS B O 1251 C CB . HIS B 55 ? 0.3335 0.1627 0.3279 -0.0052 -0.0367 0.0322 63 HIS B CB 1252 C CG . HIS B 55 ? 0.3610 0.1703 0.3442 -0.0110 -0.0408 0.0366 63 HIS B CG 1253 N ND1 . HIS B 55 ? 0.4190 0.2279 0.4005 -0.0168 -0.0442 0.0436 63 HIS B ND1 1254 C CD2 . HIS B 55 ? 0.3570 0.1461 0.3303 -0.0120 -0.0421 0.0350 63 HIS B CD2 1255 C CE1 . HIS B 55 ? 0.3945 0.1841 0.3661 -0.0213 -0.0473 0.0464 63 HIS B CE1 1256 N NE2 . HIS B 55 ? 0.4336 0.2106 0.4001 -0.0186 -0.0464 0.0412 63 HIS B NE2 1257 N N . ASN B 56 ? 0.3240 0.2077 0.3438 -0.0121 -0.0280 0.0279 64 ASN B N 1258 C CA . ASN B 56 ? 0.3210 0.2235 0.3522 -0.0084 -0.0241 0.0236 64 ASN B CA 1259 C C . ASN B 56 ? 0.3439 0.2646 0.3842 -0.0089 -0.0254 0.0265 64 ASN B C 1260 O O . ASN B 56 ? 0.3580 0.2793 0.3955 -0.0145 -0.0284 0.0315 64 ASN B O 1261 C CB . ASN B 56 ? 0.3121 0.2189 0.3437 -0.0142 -0.0196 0.0195 64 ASN B CB 1262 C CG . ASN B 56 ? 0.3011 0.1951 0.3272 -0.0103 -0.0170 0.0146 64 ASN B CG 1263 O OD1 . ASN B 56 ? 0.3144 0.2151 0.3465 -0.0036 -0.0134 0.0102 64 ASN B OD1 1264 N ND2 . ASN B 56 ? 0.3147 0.1899 0.3293 -0.0141 -0.0189 0.0154 64 ASN B ND2 1265 N N . ASN B 57 ? 0.2958 0.2314 0.3470 -0.0029 -0.0234 0.0235 65 ASN B N 1266 C CA . ASN B 57 ? 0.2932 0.2481 0.3540 -0.0044 -0.0240 0.0248 65 ASN B CA 1267 C C . ASN B 57 ? 0.2634 0.2324 0.3322 -0.0066 -0.0192 0.0202 65 ASN B C 1268 O O . ASN B 57 ? 0.2431 0.2061 0.3088 -0.0076 -0.0155 0.0164 65 ASN B O 1269 C CB . ASN B 57 ? 0.2817 0.2432 0.3495 0.0043 -0.0268 0.0261 65 ASN B CB 1270 C CG . ASN B 57 ? 0.3414 0.3044 0.4154 0.0135 -0.0243 0.0215 65 ASN B CG 1271 O OD1 . ASN B 57 ? 0.3173 0.2803 0.3924 0.0137 -0.0198 0.0171 65 ASN B OD1 1272 N ND2 . ASN B 57 ? 0.4054 0.3698 0.4833 0.0216 -0.0271 0.0227 65 ASN B ND2 1273 N N . MET B 58 ? 0.2299 0.2171 0.3085 -0.0076 -0.0194 0.0203 66 MET B N 1274 C CA . MET B 58 ? 0.2380 0.2384 0.3240 -0.0104 -0.0150 0.0163 66 MET B CA 1275 C C . MET B 58 ? 0.2099 0.2119 0.3018 -0.0032 -0.0110 0.0115 66 MET B C 1276 O O . MET B 58 ? 0.2354 0.2384 0.3276 -0.0052 -0.0064 0.0078 66 MET B O 1277 C CB . MET B 58 ? 0.2328 0.2523 0.3288 -0.0120 -0.0165 0.0172 66 MET B CB 1278 C CG . MET B 58 ? 0.2817 0.3038 0.3730 -0.0203 -0.0188 0.0208 66 MET B CG 1279 S SD . MET B 58 ? 0.3180 0.3310 0.3990 -0.0303 -0.0158 0.0201 66 MET B SD 1280 C CE . MET B 58 ? 0.2441 0.2650 0.3319 -0.0300 -0.0097 0.0137 66 MET B CE 1281 N N . ALA B 59 ? 0.1903 0.1928 0.2869 0.0055 -0.0127 0.0118 67 ALA B N 1282 C CA . ALA B 59 ? 0.2046 0.2101 0.3078 0.0132 -0.0088 0.0076 67 ALA B CA 1283 C C . ALA B 59 ? 0.2308 0.2198 0.3240 0.0141 -0.0057 0.0050 67 ALA B C 1284 O O . ALA B 59 ? 0.2071 0.2001 0.3038 0.0155 -0.0006 0.0009 67 ALA B O 1285 C CB . ALA B 59 ? 0.2531 0.2609 0.3622 0.0226 -0.0118 0.0087 67 ALA B CB 1286 N N . SER B 60 ? 0.2359 0.2064 0.3167 0.0133 -0.0087 0.0073 68 SER B N 1287 C CA . SER B 60 ? 0.2551 0.2086 0.3259 0.0147 -0.0065 0.0046 68 SER B CA 1288 C C . SER B 60 ? 0.2633 0.2153 0.3293 0.0062 -0.0034 0.0027 68 SER B C 1289 O O . SER B 60 ? 0.2590 0.2042 0.3211 0.0079 0.0004 -0.0012 68 SER B O 1290 C CB . SER B 60 ? 0.2642 0.1976 0.3231 0.0160 -0.0112 0.0078 68 SER B CB 1291 O OG . SER B 60 ? 0.2963 0.2248 0.3487 0.0071 -0.0146 0.0120 68 SER B OG 1292 N N . PHE B 61 ? 0.2174 0.1760 0.2837 -0.0024 -0.0049 0.0053 69 PHE B N 1293 C CA . PHE B 61 ? 0.2137 0.1730 0.2766 -0.0106 -0.0021 0.0036 69 PHE B CA 1294 C C . PHE B 61 ? 0.2174 0.1914 0.2899 -0.0089 0.0035 -0.0009 69 PHE B C 1295 O O . PHE B 61 ? 0.2366 0.2060 0.3052 -0.0098 0.0076 -0.0045 69 PHE B O 1296 C CB . PHE B 61 ? 0.2307 0.1958 0.2928 -0.0195 -0.0051 0.0077 69 PHE B CB 1297 C CG . PHE B 61 ? 0.2357 0.2047 0.2959 -0.0279 -0.0024 0.0060 69 PHE B CG 1298 C CD1 . PHE B 61 ? 0.2753 0.2293 0.3243 -0.0332 -0.0023 0.0056 69 PHE B CD1 1299 C CD2 . PHE B 61 ? 0.2260 0.2133 0.2954 -0.0308 -0.0003 0.0049 69 PHE B CD2 1300 C CE1 . PHE B 61 ? 0.2843 0.2420 0.3314 -0.0408 0.0001 0.0040 69 PHE B CE1 1301 C CE2 . PHE B 61 ? 0.2419 0.2326 0.3090 -0.0385 0.0021 0.0034 69 PHE B CE2 1302 C CZ . PHE B 61 ? 0.2593 0.2353 0.3153 -0.0434 0.0024 0.0029 69 PHE B CZ 1303 N N . VAL B 62 ? 0.2148 0.2062 0.2998 -0.0060 0.0036 -0.0005 70 VAL B N 1304 C CA . VAL B 62 ? 0.1933 0.1999 0.2888 -0.0046 0.0086 -0.0041 70 VAL B CA 1305 C C . VAL B 62 ? 0.2176 0.2197 0.3142 0.0041 0.0127 -0.0077 70 VAL B C 1306 O O . VAL B 62 ? 0.1969 0.2040 0.2963 0.0043 0.0180 -0.0112 70 VAL B O 1307 C CB . VAL B 62 ? 0.2233 0.2492 0.3324 -0.0035 0.0069 -0.0026 70 VAL B CB 1308 C CG1 . VAL B 62 ? 0.2336 0.2749 0.3547 -0.0015 0.0121 -0.0061 70 VAL B CG1 1309 C CG2 . VAL B 62 ? 0.2080 0.2388 0.3153 -0.0123 0.0035 0.0005 70 VAL B CG2 1310 N N . ARG B 63 ? 0.2008 0.1927 0.2941 0.0114 0.0104 -0.0069 71 ARG B N 1311 C CA . ARG B 63 ? 0.2253 0.2115 0.3180 0.0202 0.0142 -0.0103 71 ARG B CA 1312 C C . ARG B 63 ? 0.2106 0.1826 0.2915 0.0176 0.0173 -0.0133 71 ARG B C 1313 O O . ARG B 63 ? 0.2394 0.2126 0.3216 0.0220 0.0226 -0.0169 71 ARG B O 1314 C CB . ARG B 63 ? 0.2308 0.2064 0.3203 0.0286 0.0106 -0.0089 71 ARG B CB 1315 C CG . ARG B 63 ? 0.2500 0.2404 0.3526 0.0340 0.0085 -0.0070 71 ARG B CG 1316 C CD . ARG B 63 ? 0.2647 0.2463 0.3655 0.0441 0.0064 -0.0067 71 ARG B CD 1317 N NE . ARG B 63 ? 0.3200 0.2852 0.4094 0.0426 0.0005 -0.0033 71 ARG B NE 1318 C CZ . ARG B 63 ? 0.3382 0.3074 0.4304 0.0415 -0.0045 0.0007 71 ARG B CZ 1319 N NH1 . ARG B 63 ? 0.3206 0.3093 0.4263 0.0417 -0.0049 0.0014 71 ARG B NH1 1320 N NH2 . ARG B 63 ? 0.3499 0.3034 0.4314 0.0404 -0.0094 0.0040 71 ARG B NH2 1321 N N . GLN B 64 ? 0.2339 0.1925 0.3032 0.0104 0.0141 -0.0115 72 GLN B N 1322 C CA . GLN B 64 ? 0.2228 0.1674 0.2806 0.0072 0.0162 -0.0143 72 GLN B CA 1323 C C . GLN B 64 ? 0.2088 0.1649 0.2707 0.0020 0.0212 -0.0170 72 GLN B C 1324 O O . GLN B 64 ? 0.2417 0.1927 0.2992 0.0039 0.0256 -0.0208 72 GLN B O 1325 C CB . GLN B 64 ? 0.2306 0.1593 0.2764 0.0002 0.0111 -0.0113 72 GLN B CB 1326 C CG . GLN B 64 ? 0.2940 0.2060 0.3324 0.0057 0.0067 -0.0095 72 GLN B CG 1327 C CD . GLN B 64 ? 0.3103 0.2079 0.3382 -0.0016 0.0014 -0.0057 72 GLN B CD 1328 O OE1 . GLN B 64 ? 0.3667 0.2499 0.3842 -0.0056 0.0011 -0.0070 72 GLN B OE1 1329 N NE2 . GLN B 64 ? 0.3217 0.2232 0.3525 -0.0036 -0.0029 -0.0008 72 GLN B NE2 1330 N N . LEU B 65 ? 0.2041 0.1757 0.2741 -0.0041 0.0206 -0.0150 73 LEU B N 1331 C CA . LEU B 65 ? 0.2181 0.2020 0.2932 -0.0086 0.0253 -0.0175 73 LEU B CA 1332 C C . LEU B 65 ? 0.2044 0.1979 0.2884 -0.0008 0.0311 -0.0208 73 LEU B C 1333 O O . LEU B 65 ? 0.2086 0.2025 0.2909 -0.0011 0.0362 -0.0241 73 LEU B O 1334 C CB . LEU B 65 ? 0.1993 0.1991 0.2826 -0.0153 0.0232 -0.0148 73 LEU B CB 1335 C CG . LEU B 65 ? 0.2100 0.2037 0.2857 -0.0237 0.0181 -0.0111 73 LEU B CG 1336 C CD1 . LEU B 65 ? 0.2038 0.2153 0.2890 -0.0283 0.0165 -0.0089 73 LEU B CD1 1337 C CD2 . LEU B 65 ? 0.2328 0.2152 0.2973 -0.0303 0.0194 -0.0128 73 LEU B CD2 1338 N N . ASN B 66 ? 0.2130 0.2143 0.3065 0.0066 0.0304 -0.0197 74 ASN B N 1339 C CA . ASN B 66 ? 0.2067 0.2184 0.3099 0.0142 0.0359 -0.0223 74 ASN B CA 1340 C C . ASN B 66 ? 0.2086 0.2053 0.3020 0.0205 0.0394 -0.0255 74 ASN B C 1341 O O . ASN B 66 ? 0.2161 0.2180 0.3125 0.0235 0.0454 -0.0285 74 ASN B O 1342 C CB . ASN B 66 ? 0.2291 0.2515 0.3443 0.0209 0.0338 -0.0203 74 ASN B CB 1343 C CG . ASN B 66 ? 0.2447 0.2820 0.3730 0.0276 0.0395 -0.0224 74 ASN B CG 1344 O OD1 . ASN B 66 ? 0.2545 0.3034 0.3892 0.0242 0.0439 -0.0238 74 ASN B OD1 1345 N ND2 . ASN B 66 ? 0.3253 0.3619 0.4574 0.0373 0.0395 -0.0224 74 ASN B ND2 1346 N N . MET B 67 ? 0.2192 0.1970 0.3006 0.0226 0.0354 -0.0249 75 MET B N 1347 C CA . MET B 67 ? 0.2616 0.2233 0.3323 0.0291 0.0378 -0.0281 75 MET B CA 1348 C C . MET B 67 ? 0.2725 0.2286 0.3352 0.0245 0.0418 -0.0313 75 MET B C 1349 O O . MET B 67 ? 0.3410 0.2917 0.3995 0.0306 0.0464 -0.0347 75 MET B O 1350 C CB . MET B 67 ? 0.3028 0.2441 0.3614 0.0305 0.0318 -0.0265 75 MET B CB 1351 C CG . MET B 67 ? 0.3960 0.3184 0.4419 0.0370 0.0333 -0.0299 75 MET B CG 1352 S SD . MET B 67 ? 0.5300 0.4271 0.5611 0.0374 0.0257 -0.0278 75 MET B SD 1353 C CE . MET B 67 ? 0.5927 0.4863 0.6184 0.0229 0.0216 -0.0250 75 MET B CE 1354 N N . TYR B 68 ? 0.1818 0.2491 0.3159 0.0369 0.0684 -0.0041 76 TYR B N 1355 C CA . TYR B 68 ? 0.2305 0.2706 0.3213 0.0396 0.0708 -0.0084 76 TYR B CA 1356 C C . TYR B 68 ? 0.2766 0.3016 0.3480 0.0334 0.0760 -0.0065 76 TYR B C 1357 O O . TYR B 68 ? 0.2931 0.2952 0.3273 0.0348 0.0768 -0.0096 76 TYR B O 1358 C CB . TYR B 68 ? 0.2389 0.2750 0.3085 0.0452 0.0532 -0.0112 76 TYR B CB 1359 C CG . TYR B 68 ? 0.2525 0.2953 0.3304 0.0521 0.0508 -0.0144 76 TYR B CG 1360 C CD1 . TYR B 68 ? 0.2981 0.3263 0.3616 0.0560 0.0630 -0.0189 76 TYR B CD1 1361 C CD2 . TYR B 68 ? 0.2712 0.3349 0.3714 0.0547 0.0365 -0.0129 76 TYR B CD2 1362 C CE1 . TYR B 68 ? 0.3275 0.3613 0.3987 0.0622 0.0609 -0.0218 76 TYR B CE1 1363 C CE2 . TYR B 68 ? 0.3396 0.4092 0.4478 0.0607 0.0343 -0.0156 76 TYR B CE2 1364 C CZ . TYR B 68 ? 0.3518 0.4062 0.4454 0.0644 0.0464 -0.0201 76 TYR B CZ 1365 O OH . TYR B 68 ? 0.3561 0.4159 0.4576 0.0704 0.0440 -0.0229 76 TYR B OH 1366 N N . GLY B 69 ? 0.2231 0.2608 0.3198 0.0266 0.0797 -0.0014 77 GLY B N 1367 C CA . GLY B 69 ? 0.2652 0.2898 0.3472 0.0201 0.0862 0.0008 77 GLY B CA 1368 C C . GLY B 69 ? 0.2573 0.2749 0.3184 0.0183 0.0713 0.0019 77 GLY B C 1369 O O . GLY B 69 ? 0.2601 0.2601 0.2978 0.0144 0.0757 0.0024 77 GLY B O 1370 N N . PHE B 70 ? 0.2044 0.2352 0.2732 0.0212 0.0538 0.0022 78 PHE B N 1371 C CA . PHE B 70 ? 0.2112 0.2393 0.2658 0.0192 0.0390 0.0039 78 PHE B CA 1372 C C . PHE B 70 ? 0.1978 0.2354 0.2739 0.0109 0.0416 0.0093 78 PHE B C 1373 O O . PHE B 70 ? 0.2310 0.2868 0.3424 0.0079 0.0483 0.0124 78 PHE B O 1374 C CB . PHE B 70 ? 0.1993 0.2428 0.2622 0.0239 0.0200 0.0036 78 PHE B CB 1375 C CG . PHE B 70 ? 0.1808 0.2119 0.2151 0.0316 0.0134 -0.0015 78 PHE B CG 1376 C CD1 . PHE B 70 ? 0.2486 0.2801 0.2866 0.0367 0.0202 -0.0048 78 PHE B CD1 1377 C CD2 . PHE B 70 ? 0.1852 0.2042 0.1887 0.0338 0.0002 -0.0030 78 PHE B CD2 1378 C CE1 . PHE B 70 ? 0.2331 0.2531 0.2449 0.0436 0.0138 -0.0094 78 PHE B CE1 1379 C CE2 . PHE B 70 ? 0.2434 0.2514 0.2208 0.0408 -0.0060 -0.0076 78 PHE B CE2 1380 C CZ . PHE B 70 ? 0.2511 0.2596 0.2328 0.0456 0.0007 -0.0107 78 PHE B CZ 1381 N N . ARG B 71 ? 0.2087 0.2336 0.2631 0.0073 0.0363 0.0105 79 ARG B N 1382 C CA . ARG B 71 ? 0.2063 0.2387 0.2780 -0.0007 0.0366 0.0157 79 ARG B CA 1383 C C . ARG B 71 ? 0.1894 0.2312 0.2628 -0.0007 0.0170 0.0174 79 ARG B C 1384 O O . ARG B 71 ? 0.2173 0.2557 0.2725 0.0053 0.0041 0.0144 79 ARG B O 1385 C CB . ARG B 71 ? 0.2344 0.2440 0.2807 -0.0058 0.0474 0.0161 79 ARG B CB 1386 C CG . ARG B 71 ? 0.2561 0.2548 0.2980 -0.0061 0.0677 0.0146 79 ARG B CG 1387 C CD . ARG B 71 ? 0.3443 0.3621 0.4261 -0.0103 0.0793 0.0183 79 ARG B CD 1388 N NE . ARG B 71 ? 0.4860 0.4914 0.5614 -0.0123 0.0993 0.0178 79 ARG B NE 1389 C CZ . ARG B 71 ? 0.5991 0.6086 0.6860 -0.0087 0.1110 0.0158 79 ARG B CZ 1390 N NH1 . ARG B 71 ? 0.5894 0.6149 0.6950 -0.0032 0.1046 0.0141 79 ARG B NH1 1391 N NH2 . ARG B 71 ? 0.6531 0.6507 0.7326 -0.0106 0.1292 0.0155 79 ARG B NH2 1392 N N . LYS B 72 ? 0.1815 0.2351 0.2768 -0.0073 0.0146 0.0222 80 LYS B N 1393 C CA . LYS B 72 ? 0.1679 0.2290 0.2638 -0.0079 -0.0033 0.0241 80 LYS B CA 1394 C C . LYS B 72 ? 0.1923 0.2334 0.2607 -0.0127 -0.0043 0.0249 80 LYS B C 1395 O O . LYS B 72 ? 0.2195 0.2510 0.2865 -0.0186 0.0092 0.0268 80 LYS B O 1396 C CB . LYS B 72 ? 0.2808 0.3692 0.4199 -0.0118 -0.0072 0.0288 80 LYS B CB 1397 C CG . LYS B 72 ? 0.3297 0.4272 0.4716 -0.0124 -0.0258 0.0309 80 LYS B CG 1398 C CD . LYS B 72 ? 0.3412 0.4681 0.5259 -0.0138 -0.0319 0.0347 80 LYS B CD 1399 C CE . LYS B 72 ? 0.4314 0.5672 0.6454 -0.0215 -0.0185 0.0389 80 LYS B CE 1400 N NZ . LYS B 72 ? 0.4828 0.6325 0.7139 -0.0215 -0.0239 0.0387 80 LYS B NZ 1401 N N . VAL B 73 ? 0.1861 0.2212 0.2327 -0.0099 -0.0203 0.0236 81 VAL B N 1402 C CA . VAL B 73 ? 0.2037 0.2205 0.2241 -0.0140 -0.0237 0.0244 81 VAL B CA 1403 C C . VAL B 73 ? 0.2145 0.2461 0.2531 -0.0177 -0.0373 0.0283 81 VAL B C 1404 O O . VAL B 73 ? 0.2356 0.2812 0.2816 -0.0132 -0.0525 0.0279 81 VAL B O 1405 C CB . VAL B 73 ? 0.2280 0.2238 0.2054 -0.0080 -0.0315 0.0198 81 VAL B CB 1406 C CG1 . VAL B 73 ? 0.2849 0.2613 0.2350 -0.0123 -0.0351 0.0206 81 VAL B CG1 1407 C CG2 . VAL B 73 ? 0.2795 0.2609 0.2388 -0.0040 -0.0186 0.0157 81 VAL B CG2 1408 N N . VAL B 74 ? 0.2152 0.2016 0.2108 -0.0051 -0.0385 0.0241 82 VAL B N 1409 C CA . VAL B 74 ? 0.2387 0.2196 0.2168 -0.0071 -0.0424 0.0147 82 VAL B CA 1410 C C . VAL B 74 ? 0.2426 0.2170 0.2336 -0.0110 -0.0522 0.0057 82 VAL B C 1411 O O . VAL B 74 ? 0.2450 0.2217 0.2579 -0.0131 -0.0581 0.0095 82 VAL B O 1412 C CB . VAL B 74 ? 0.3433 0.3312 0.3037 -0.0087 -0.0501 0.0222 82 VAL B CB 1413 C CG1 . VAL B 74 ? 0.3555 0.3491 0.3025 -0.0047 -0.0408 0.0311 82 VAL B CG1 1414 C CG2 . VAL B 74 ? 0.2911 0.2870 0.2661 -0.0127 -0.0638 0.0313 82 VAL B CG2 1415 N N . HIS B 75 ? 0.2841 0.2499 0.2613 -0.0116 -0.0538 -0.0063 83 HIS B N 1416 C CA . HIS B 75 ? 0.2989 0.2570 0.2871 -0.0153 -0.0641 -0.0157 83 HIS B CA 1417 C C . HIS B 75 ? 0.3069 0.2705 0.2989 -0.0209 -0.0806 -0.0087 83 HIS B C 1418 O O . HIS B 75 ? 0.3197 0.2900 0.2967 -0.0218 -0.0846 -0.0017 83 HIS B O 1419 C CB . HIS B 75 ? 0.3993 0.3460 0.3705 -0.0135 -0.0614 -0.0314 83 HIS B CB 1420 C CG . HIS B 75 ? 0.4620 0.4019 0.4379 -0.0088 -0.0476 -0.0405 83 HIS B CG 1421 N ND1 . HIS B 75 ? 0.4840 0.4276 0.4550 -0.0042 -0.0324 -0.0366 83 HIS B ND1 1422 C CD2 . HIS B 75 ? 0.4856 0.4157 0.4717 -0.0080 -0.0470 -0.0530 83 HIS B CD2 1423 C CE1 . HIS B 75 ? 0.4812 0.4183 0.4597 -0.0009 -0.0228 -0.0459 83 HIS B CE1 1424 N NE2 . HIS B 75 ? 0.5141 0.4429 0.5015 -0.0029 -0.0312 -0.0562 83 HIS B NE2 1425 N N . ILE B 76 ? 0.2629 0.2243 0.2760 -0.0249 -0.0904 -0.0101 84 ILE B N 1426 C CA . ILE B 76 ? 0.2634 0.2301 0.2834 -0.0308 -0.1066 -0.0032 84 ILE B CA 1427 C C . ILE B 76 ? 0.3267 0.2868 0.3280 -0.0334 -0.1158 -0.0116 84 ILE B C 1428 O O . ILE B 76 ? 0.3700 0.3372 0.3630 -0.0363 -0.1247 -0.0040 84 ILE B O 1429 C CB . ILE B 76 ? 0.2490 0.2139 0.2968 -0.0346 -0.1147 -0.0029 84 ILE B CB 1430 C CG1 . ILE B 76 ? 0.2224 0.1958 0.2882 -0.0321 -0.1077 0.0077 84 ILE B CG1 1431 C CG2 . ILE B 76 ? 0.2886 0.2578 0.3433 -0.0413 -0.1320 0.0030 84 ILE B CG2 1432 C CD1 . ILE B 76 ? 0.2787 0.2496 0.3718 -0.0349 -0.1137 0.0074 84 ILE B CD1 1433 N N . GLU B 77 ? 0.3638 0.3103 0.3584 -0.0319 -0.1140 -0.0273 85 GLU B N 1434 C CA . GLU B 77 ? 0.4509 0.3891 0.4250 -0.0332 -0.1221 -0.0374 85 GLU B CA 1435 C C . GLU B 77 ? 0.5369 0.4707 0.4841 -0.0268 -0.1086 -0.0452 85 GLU B C 1436 O O . GLU B 77 ? 0.5467 0.4757 0.4948 -0.0220 -0.0953 -0.0521 85 GLU B O 1437 C CB . GLU B 77 ? 0.4697 0.3948 0.4546 -0.0360 -0.1322 -0.0502 85 GLU B CB 1438 C CG . GLU B 77 ? 0.5415 0.4707 0.5536 -0.0428 -0.1462 -0.0419 85 GLU B CG 1439 C CD . GLU B 77 ? 0.6823 0.5979 0.7023 -0.0466 -0.1597 -0.0538 85 GLU B CD 1440 O OE1 . GLU B 77 ? 0.7099 0.6286 0.7487 -0.0533 -0.1741 -0.0469 85 GLU B OE1 1441 O OE2 . GLU B 77 ? 0.7461 0.6482 0.7537 -0.0429 -0.1561 -0.0699 85 GLU B OE2 1442 N N . GLN B 78 ? 0.5786 0.5149 0.5024 -0.0269 -0.1121 -0.0435 86 GLN B N 1443 C CA . GLN B 78 ? 0.6568 0.5902 0.5528 -0.0210 -0.1002 -0.0493 86 GLN B CA 1444 C C . GLN B 78 ? 0.6809 0.5997 0.5676 -0.0173 -0.0967 -0.0677 86 GLN B C 1445 O O . GLN B 78 ? 0.6808 0.5900 0.5695 -0.0201 -0.1093 -0.0773 86 GLN B O 1446 C CB . GLN B 78 ? 0.7473 0.6849 0.6204 -0.0225 -0.1080 -0.0447 86 GLN B CB 1447 C CG . GLN B 78 ? 0.8408 0.7842 0.6916 -0.0173 -0.0945 -0.0395 86 GLN B CG 1448 C CD . GLN B 78 ? 0.8922 0.8500 0.7480 -0.0190 -0.0951 -0.0216 86 GLN B CD 1449 O OE1 . GLN B 78 ? 0.8947 0.8590 0.7633 -0.0242 -0.1082 -0.0134 86 GLN B OE1 1450 N NE2 . GLN B 78 ? 0.9122 0.8755 0.7586 -0.0144 -0.0809 -0.0153 86 GLN B NE2 1451 N N . ARG B 86 ? 0.6565 0.6000 0.4101 0.0466 0.0946 -0.0655 94 ARG B N 1452 C CA . ARG B 86 ? 0.6566 0.6076 0.4281 0.0431 0.0975 -0.0498 94 ARG B CA 1453 C C . ARG B 86 ? 0.6473 0.5986 0.4312 0.0366 0.0805 -0.0440 94 ARG B C 1454 O O . ARG B 86 ? 0.6504 0.5960 0.4447 0.0339 0.0686 -0.0521 94 ARG B O 1455 C CB . ARG B 86 ? 0.6399 0.5925 0.4390 0.0443 0.1092 -0.0491 94 ARG B CB 1456 C CG . ARG B 86 ? 0.5950 0.5418 0.4190 0.0420 0.1009 -0.0577 94 ARG B CG 1457 C CD . ARG B 86 ? 0.5613 0.5109 0.4154 0.0419 0.1100 -0.0536 94 ARG B CD 1458 N NE . ARG B 86 ? 0.5669 0.5109 0.4445 0.0394 0.1006 -0.0609 94 ARG B NE 1459 C CZ . ARG B 86 ? 0.6110 0.5548 0.5156 0.0397 0.1061 -0.0618 94 ARG B CZ 1460 N NH1 . ARG B 86 ? 0.6379 0.5763 0.5620 0.0373 0.0962 -0.0684 94 ARG B NH1 1461 N NH2 . ARG B 86 ? 0.5593 0.5083 0.4720 0.0422 0.1210 -0.0558 94 ARG B NH2 1462 N N . ASP B 87 ? 0.6127 0.5707 0.3954 0.0342 0.0794 -0.0296 95 ASP B N 1463 C CA . ASP B 87 ? 0.5609 0.5211 0.3563 0.0288 0.0649 -0.0221 95 ASP B CA 1464 C C . ASP B 87 ? 0.4802 0.4423 0.3075 0.0271 0.0672 -0.0166 95 ASP B C 1465 O O . ASP B 87 ? 0.4506 0.4149 0.2871 0.0294 0.0803 -0.0128 95 ASP B O 1466 C CB . ASP B 87 ? 0.5857 0.5520 0.3641 0.0278 0.0618 -0.0096 95 ASP B CB 1467 C CG . ASP B 87 ? 0.6141 0.5858 0.3921 0.0302 0.0759 0.0016 95 ASP B CG 1468 O OD1 . ASP B 87 ? 0.6435 0.6149 0.4075 0.0343 0.0888 -0.0012 95 ASP B OD1 1469 O OD2 . ASP B 87 ? 0.6344 0.6107 0.4256 0.0281 0.0737 0.0134 95 ASP B OD2 1470 N N . ASP B 88 ? 0.4235 0.3850 0.2676 0.0229 0.0540 -0.0160 96 ASP B N 1471 C CA . ASP B 88 ? 0.3751 0.3369 0.2496 0.0214 0.0539 -0.0136 96 ASP B CA 1472 C C . ASP B 88 ? 0.3845 0.3513 0.2689 0.0175 0.0415 -0.0030 96 ASP B C 1473 O O . ASP B 88 ? 0.3862 0.3526 0.2665 0.0144 0.0282 -0.0047 96 ASP B O 1474 C CB . ASP B 88 ? 0.3628 0.3172 0.2500 0.0212 0.0511 -0.0275 96 ASP B CB 1475 C CG . ASP B 88 ? 0.4111 0.3653 0.3296 0.0193 0.0487 -0.0258 96 ASP B CG 1476 O OD1 . ASP B 88 ? 0.3602 0.3195 0.2913 0.0189 0.0509 -0.0148 96 ASP B OD1 1477 O OD2 . ASP B 88 ? 0.4572 0.4054 0.3875 0.0187 0.0444 -0.0361 96 ASP B OD2 1478 N N . THR B 89 ? 0.3360 0.3077 0.2325 0.0180 0.0457 0.0082 97 THR B N 1479 C CA . THR B 89 ? 0.2825 0.2594 0.1896 0.0155 0.0352 0.0185 97 THR B CA 1480 C C . THR B 89 ? 0.2996 0.2761 0.2350 0.0156 0.0369 0.0204 97 THR B C 1481 O O . THR B 89 ? 0.2921 0.2673 0.2353 0.0180 0.0483 0.0210 97 THR B O 1482 C CB . THR B 89 ? 0.3475 0.3307 0.2407 0.0167 0.0368 0.0314 97 THR B CB 1483 O OG1 . THR B 89 ? 0.3983 0.3816 0.2641 0.0171 0.0369 0.0296 97 THR B OG1 1484 C CG2 . THR B 89 ? 0.3531 0.3423 0.2551 0.0148 0.0249 0.0412 97 THR B CG2 1485 N N . GLU B 90 ? 0.2447 0.2224 0.1957 0.0129 0.0255 0.0216 98 GLU B N 1486 C CA . GLU B 90 ? 0.2367 0.2135 0.2142 0.0130 0.0258 0.0225 98 GLU B CA 1487 C C . GLU B 90 ? 0.2348 0.2183 0.2210 0.0132 0.0196 0.0352 98 GLU B C 1488 O O . GLU B 90 ? 0.2384 0.2268 0.2198 0.0112 0.0089 0.0403 98 GLU B O 1489 C CB . GLU B 90 ? 0.2521 0.2243 0.2436 0.0104 0.0184 0.0128 98 GLU B CB 1490 C CG . GLU B 90 ? 0.2675 0.2374 0.2856 0.0111 0.0208 0.0118 98 GLU B CG 1491 C CD . GLU B 90 ? 0.2985 0.2627 0.3305 0.0089 0.0149 0.0014 98 GLU B CD 1492 O OE1 . GLU B 90 ? 0.3092 0.2713 0.3318 0.0064 0.0070 -0.0043 98 GLU B OE1 1493 O OE2 . GLU B 90 ? 0.3394 0.3009 0.3922 0.0097 0.0177 -0.0009 98 GLU B OE2 1494 N N . PHE B 91 ? 0.2114 0.1949 0.2100 0.0157 0.0262 0.0403 99 PHE B N 1495 C CA . PHE B 91 ? 0.1921 0.1811 0.1986 0.0171 0.0210 0.0517 99 PHE B CA 1496 C C . PHE B 91 ? 0.1904 0.1775 0.2224 0.0177 0.0193 0.0512 99 PHE B C 1497 O O . PHE B 91 ? 0.2045 0.1859 0.2485 0.0177 0.0252 0.0433 99 PHE B O 1498 C CB . PHE B 91 ? 0.2213 0.2118 0.2179 0.0203 0.0286 0.0602 99 PHE B CB 1499 C CG . PHE B 91 ? 0.2149 0.2077 0.1858 0.0201 0.0301 0.0625 99 PHE B CG 1500 C CD1 . PHE B 91 ? 0.2407 0.2399 0.2004 0.0196 0.0209 0.0697 99 PHE B CD1 1501 C CD2 . PHE B 91 ? 0.2268 0.2162 0.1850 0.0207 0.0407 0.0579 99 PHE B CD2 1502 C CE1 . PHE B 91 ? 0.2727 0.2739 0.2086 0.0196 0.0219 0.0720 99 PHE B CE1 1503 C CE2 . PHE B 91 ? 0.2733 0.2648 0.2073 0.0209 0.0421 0.0602 99 PHE B CE2 1504 C CZ . PHE B 91 ? 0.2916 0.2887 0.2143 0.0202 0.0323 0.0672 99 PHE B CZ 1505 N N . GLN B 92 ? 0.2107 0.2029 0.2511 0.0188 0.0117 0.0597 100 GLN B N 1506 C CA . GLN B 92 ? 0.1819 0.1722 0.2451 0.0200 0.0104 0.0598 100 GLN B CA 1507 C C . GLN B 92 ? 0.1809 0.1766 0.2491 0.0233 0.0050 0.0707 100 GLN B C 1508 O O . GLN B 92 ? 0.1988 0.2022 0.2529 0.0223 -0.0001 0.0736 100 GLN B O 1509 C CB . GLN B 92 ? 0.2514 0.2401 0.3276 0.0167 0.0035 0.0527 100 GLN B CB 1510 C CG . GLN B 92 ? 0.2652 0.2607 0.3399 0.0146 -0.0084 0.0577 100 GLN B CG 1511 C CD . GLN B 92 ? 0.2576 0.2513 0.3498 0.0116 -0.0157 0.0525 100 GLN B CD 1512 O OE1 . GLN B 92 ? 0.2931 0.2795 0.3934 0.0102 -0.0122 0.0424 100 GLN B OE1 1513 N NE2 . GLN B 92 ? 0.2756 0.2764 0.3743 0.0109 -0.0256 0.0599 100 GLN B NE2 1514 N N . HIS B 93 ? 0.1925 0.2085 0.2506 0.0521 0.0339 -0.0249 101 HIS B N 1515 C CA . HIS B 93 ? 0.1824 0.1964 0.2286 0.0487 0.0332 -0.0367 101 HIS B CA 1516 C C . HIS B 93 ? 0.1920 0.2030 0.2255 0.0389 0.0246 -0.0359 101 HIS B C 1517 O O . HIS B 93 ? 0.2058 0.2117 0.2478 0.0367 0.0177 -0.0284 101 HIS B O 1518 C CB . HIS B 93 ? 0.2157 0.2201 0.2736 0.0526 0.0331 -0.0434 101 HIS B CB 1519 C CG . HIS B 93 ? 0.2224 0.2240 0.2681 0.0508 0.0349 -0.0573 101 HIS B CG 1520 N ND1 . HIS B 93 ? 0.2250 0.2225 0.2545 0.0415 0.0291 -0.0627 101 HIS B ND1 1521 C CD2 . HIS B 93 ? 0.2194 0.2216 0.2668 0.0570 0.0420 -0.0671 101 HIS B CD2 1522 C CE1 . HIS B 93 ? 0.2783 0.2738 0.2985 0.0417 0.0334 -0.0759 101 HIS B CE1 1523 N NE2 . HIS B 93 ? 0.2767 0.2750 0.3083 0.0517 0.0415 -0.0791 101 HIS B NE2 1524 N N . PRO B 94 ? 0.2043 0.2193 0.2179 0.0327 0.0246 -0.0430 102 PRO B N 1525 C CA . PRO B 94 ? 0.2625 0.2751 0.2627 0.0220 0.0154 -0.0408 102 PRO B CA 1526 C C . PRO B 94 ? 0.2612 0.2625 0.2660 0.0174 0.0069 -0.0422 102 PRO B C 1527 O O . PRO B 94 ? 0.2680 0.2669 0.2674 0.0092 -0.0023 -0.0369 102 PRO B O 1528 C CB . PRO B 94 ? 0.2892 0.3084 0.2668 0.0161 0.0186 -0.0503 102 PRO B CB 1529 C CG . PRO B 94 ? 0.3141 0.3361 0.2961 0.0242 0.0289 -0.0606 102 PRO B CG 1530 C CD . PRO B 94 ? 0.2504 0.2731 0.2534 0.0346 0.0331 -0.0530 102 PRO B CD 1531 N N . CYS B 95 ? 0.2377 0.2319 0.2525 0.0221 0.0093 -0.0485 103 CYS B N 1532 C CA . CYS B 95 ? 0.2642 0.2470 0.2836 0.0172 0.0009 -0.0493 103 CYS B CA 1533 C C . CYS B 95 ? 0.2287 0.2073 0.2721 0.0233 -0.0007 -0.0411 103 CYS B C 1534 O O . CYS B 95 ? 0.2511 0.2199 0.3009 0.0209 -0.0061 -0.0425 103 CYS B O 1535 C CB . CYS B 95 ? 0.2842 0.2590 0.2933 0.0155 0.0034 -0.0640 103 CYS B CB 1536 S SG . CYS B 95 ? 0.3916 0.3720 0.3713 0.0071 0.0064 -0.0754 103 CYS B SG 1537 N N . PHE B 96 ? 0.2095 0.1952 0.2648 0.0303 0.0040 -0.0326 104 PHE B N 1538 C CA . PHE B 96 ? 0.2388 0.2225 0.3161 0.0353 0.0032 -0.0239 104 PHE B CA 1539 C C . PHE B 96 ? 0.2014 0.1906 0.2839 0.0335 -0.0006 -0.0119 104 PHE B C 1540 O O . PHE B 96 ? 0.2125 0.2085 0.2963 0.0380 0.0050 -0.0069 104 PHE B O 1541 C CB . PHE B 96 ? 0.2002 0.1867 0.2875 0.0450 0.0127 -0.0245 104 PHE B CB 1542 C CG . PHE B 96 ? 0.2029 0.1864 0.3114 0.0492 0.0122 -0.0170 104 PHE B CG 1543 C CD1 . PHE B 96 ? 0.2416 0.2157 0.3587 0.0503 0.0103 -0.0212 104 PHE B CD1 1544 C CD2 . PHE B 96 ? 0.2159 0.2056 0.3348 0.0516 0.0141 -0.0061 104 PHE B CD2 1545 C CE1 . PHE B 96 ? 0.2240 0.1959 0.3598 0.0529 0.0094 -0.0138 104 PHE B CE1 1546 C CE2 . PHE B 96 ? 0.2245 0.2126 0.3621 0.0545 0.0142 0.0006 104 PHE B CE2 1547 C CZ . PHE B 96 ? 0.2202 0.1999 0.3662 0.0548 0.0117 -0.0029 104 PHE B CZ 1548 N N . LEU B 97 ? 0.1923 0.1784 0.2775 0.0268 -0.0104 -0.0073 105 LEU B N 1549 C CA . LEU B 97 ? 0.1938 0.1848 0.2817 0.0244 -0.0152 0.0029 105 LEU B CA 1550 C C . LEU B 97 ? 0.2256 0.2160 0.3340 0.0240 -0.0214 0.0123 105 LEU B C 1551 O O . LEU B 97 ? 0.2236 0.2084 0.3375 0.0202 -0.0270 0.0107 105 LEU B O 1552 C CB . LEU B 97 ? 0.1999 0.1904 0.2686 0.0148 -0.0226 0.0008 105 LEU B CB 1553 C CG . LEU B 97 ? 0.2389 0.2319 0.2853 0.0132 -0.0172 -0.0083 105 LEU B CG 1554 C CD1 . LEU B 97 ? 0.2352 0.2277 0.2628 0.0019 -0.0258 -0.0091 105 LEU B CD1 1555 C CD2 . LEU B 97 ? 0.2618 0.2620 0.3085 0.0201 -0.0089 -0.0044 105 LEU B CD2 1556 N N . ARG B 98 ? 0.1823 0.1784 0.3014 0.0275 -0.0204 0.0220 106 ARG B N 1557 C CA . ARG B 98 ? 0.1702 0.1684 0.3109 0.0278 -0.0253 0.0314 106 ARG B CA 1558 C C . ARG B 98 ? 0.2066 0.2021 0.3465 0.0185 -0.0380 0.0334 106 ARG B C 1559 O O . ARG B 98 ? 0.2260 0.2210 0.3518 0.0123 -0.0442 0.0331 106 ARG B O 1560 C CB . ARG B 98 ? 0.1800 0.1844 0.3299 0.0327 -0.0224 0.0406 106 ARG B CB 1561 C CG . ARG B 98 ? 0.1874 0.1962 0.3622 0.0341 -0.0258 0.0502 106 ARG B CG 1562 C CD . ARG B 98 ? 0.2127 0.2266 0.3963 0.0400 -0.0216 0.0579 106 ARG B CD 1563 N NE . ARG B 98 ? 0.2554 0.2680 0.4263 0.0367 -0.0273 0.0596 106 ARG B NE 1564 C CZ . ARG B 98 ? 0.2630 0.2751 0.4241 0.0404 -0.0219 0.0602 106 ARG B CZ 1565 N NH1 . ARG B 98 ? 0.2739 0.2868 0.4364 0.0472 -0.0105 0.0592 106 ARG B NH1 1566 N NH2 . ARG B 98 ? 0.3034 0.3134 0.4526 0.0364 -0.0285 0.0622 106 ARG B NH2 1567 N N . GLY B 99 ? 0.2096 0.2034 0.3642 0.0165 -0.0425 0.0358 107 GLY B N 1568 C CA . GLY B 99 ? 0.2421 0.2342 0.3992 0.0072 -0.0553 0.0398 107 GLY B CA 1569 C C . GLY B 99 ? 0.2699 0.2534 0.4042 -0.0024 -0.0613 0.0306 107 GLY B C 1570 O O . GLY B 99 ? 0.2876 0.2692 0.4193 -0.0121 -0.0729 0.0340 107 GLY B O 1571 N N . GLN B 100 ? 0.2242 0.2026 0.3421 0.0000 -0.0535 0.0190 108 GLN B N 1572 C CA . GLN B 100 ? 0.2847 0.2547 0.3800 -0.0085 -0.0572 0.0084 108 GLN B CA 1573 C C . GLN B 100 ? 0.2631 0.2245 0.3555 -0.0050 -0.0509 -0.0026 108 GLN B C 1574 O O . GLN B 100 ? 0.2746 0.2334 0.3510 -0.0031 -0.0439 -0.0135 108 GLN B O 1575 C CB . GLN B 100 ? 0.2558 0.2288 0.3298 -0.0104 -0.0544 0.0038 108 GLN B CB 1576 C CG . GLN B 100 ? 0.3165 0.2962 0.3924 -0.0136 -0.0611 0.0147 108 GLN B CG 1577 C CD . GLN B 100 ? 0.3699 0.3509 0.4215 -0.0186 -0.0608 0.0101 108 GLN B CD 1578 O OE1 . GLN B 100 ? 0.4219 0.3982 0.4537 -0.0285 -0.0654 0.0029 108 GLN B OE1 1579 N NE2 . GLN B 100 ? 0.3490 0.3363 0.4008 -0.0126 -0.0553 0.0141 108 GLN B NE2 1580 N N . GLU B 101 ? 0.2694 0.2265 0.3778 -0.0045 -0.0538 0.0005 109 GLU B N 1581 C CA . GLU B 101 ? 0.3072 0.2548 0.4158 -0.0007 -0.0487 -0.0084 109 GLU B CA 1582 C C . GLU B 101 ? 0.2992 0.2349 0.3849 -0.0068 -0.0499 -0.0224 109 GLU B C 1583 O O . GLU B 101 ? 0.3085 0.2373 0.3900 -0.0014 -0.0427 -0.0326 109 GLU B O 1584 C CB . GLU B 101 ? 0.3197 0.2637 0.4478 -0.0018 -0.0542 -0.0015 109 GLU B CB 1585 C CG . GLU B 101 ? 0.3444 0.2783 0.4752 0.0034 -0.0490 -0.0091 109 GLU B CG 1586 C CD . GLU B 101 ? 0.3815 0.3129 0.5321 0.0024 -0.0538 -0.0013 109 GLU B CD 1587 O OE1 . GLU B 101 ? 0.3635 0.3006 0.5249 -0.0035 -0.0619 0.0091 109 GLU B OE1 1588 O OE2 . GLU B 101 ? 0.4254 0.3494 0.5811 0.0073 -0.0497 -0.0053 109 GLU B OE2 1589 N N . GLN B 102 ? 0.3092 0.2425 0.3800 -0.0182 -0.0587 -0.0229 110 GLN B N 1590 C CA . GLN B 102 ? 0.3503 0.2712 0.3981 -0.0257 -0.0600 -0.0365 110 GLN B CA 1591 C C . GLN B 102 ? 0.3322 0.2558 0.3629 -0.0209 -0.0491 -0.0482 110 GLN B C 1592 O O . GLN B 102 ? 0.3729 0.2867 0.3880 -0.0225 -0.0454 -0.0620 110 GLN B O 1593 C CB . GLN B 102 ? 0.4271 0.3450 0.4621 -0.0409 -0.0729 -0.0333 110 GLN B CB 1594 C CG . GLN B 102 ? 0.4984 0.4244 0.5166 -0.0464 -0.0741 -0.0326 110 GLN B CG 1595 C CD . GLN B 102 ? 0.5779 0.5183 0.6122 -0.0421 -0.0757 -0.0181 110 GLN B CD 1596 O OE1 . GLN B 102 ? 0.5594 0.5044 0.6178 -0.0359 -0.0765 -0.0079 110 GLN B OE1 1597 N NE2 . GLN B 102 ? 0.6193 0.5662 0.6395 -0.0456 -0.0760 -0.0174 110 GLN B NE2 1598 N N . LEU B 103 ? 0.2963 0.2333 0.3304 -0.0150 -0.0435 -0.0429 111 LEU B N 1599 C CA . LEU B 103 ? 0.2961 0.2383 0.3156 -0.0106 -0.0332 -0.0522 111 LEU B CA 1600 C C . LEU B 103 ? 0.2974 0.2371 0.3246 0.0011 -0.0222 -0.0603 111 LEU B C 1601 O O . LEU B 103 ? 0.3050 0.2478 0.3206 0.0046 -0.0134 -0.0701 111 LEU B O 1602 C CB . LEU B 103 ? 0.2924 0.2485 0.3134 -0.0082 -0.0312 -0.0431 111 LEU B CB 1603 C CG . LEU B 103 ? 0.3059 0.2651 0.3177 -0.0194 -0.0419 -0.0355 111 LEU B CG 1604 C CD1 . LEU B 103 ? 0.2947 0.2655 0.3064 -0.0158 -0.0387 -0.0283 111 LEU B CD1 1605 C CD2 . LEU B 103 ? 0.3599 0.3130 0.3456 -0.0318 -0.0461 -0.0456 111 LEU B CD2 1606 N N . LEU B 104 ? 0.3068 0.2415 0.3539 0.0068 -0.0228 -0.0557 112 LEU B N 1607 C CA . LEU B 104 ? 0.3226 0.2536 0.3782 0.0175 -0.0138 -0.0623 112 LEU B CA 1608 C C . LEU B 104 ? 0.3479 0.2675 0.3877 0.0162 -0.0106 -0.0787 112 LEU B C 1609 O O . LEU B 104 ? 0.3505 0.2695 0.3923 0.0253 -0.0014 -0.0869 112 LEU B O 1610 C CB . LEU B 104 ? 0.3005 0.2256 0.3780 0.0211 -0.0172 -0.0547 112 LEU B CB 1611 C CG . LEU B 104 ? 0.2855 0.2216 0.3820 0.0246 -0.0178 -0.0396 112 LEU B CG 1612 C CD1 . LEU B 104 ? 0.2884 0.2177 0.4041 0.0266 -0.0210 -0.0340 112 LEU B CD1 1613 C CD2 . LEU B 104 ? 0.2563 0.2041 0.3552 0.0334 -0.0076 -0.0378 112 LEU B CD2 1614 N N . GLU B 105 ? 0.3432 0.2534 0.3674 0.0047 -0.0184 -0.0835 113 GLU B N 1615 C CA . GLU B 105 ? 0.3632 0.2605 0.3697 0.0018 -0.0156 -0.1000 113 GLU B CA 1616 C C . GLU B 105 ? 0.3728 0.2792 0.3645 0.0053 -0.0047 -0.1107 113 GLU B C 1617 O O . GLU B 105 ? 0.3919 0.2906 0.3747 0.0084 0.0022 -0.1254 113 GLU B O 1618 C CB . GLU B 105 ? 0.3932 0.2802 0.3829 -0.0136 -0.0267 -0.1015 113 GLU B CB 1619 C CG . GLU B 105 ? 0.4575 0.3323 0.4226 -0.0193 -0.0235 -0.1194 113 GLU B CG 1620 C CD . GLU B 105 ? 0.5125 0.3708 0.4828 -0.0115 -0.0185 -0.1308 113 GLU B CD 1621 O OE1 . GLU B 105 ? 0.5188 0.3716 0.5095 -0.0060 -0.0220 -0.1232 113 GLU B OE1 1622 O OE2 . GLU B 105 ? 0.5136 0.3643 0.4674 -0.0109 -0.0112 -0.1473 113 GLU B OE2 1623 N N . ASN B 106 ? 0.3810 0.3038 0.3703 0.0048 -0.0031 -0.1033 114 ASN B N 1624 C CA . ASN B 106 ? 0.4311 0.3647 0.4052 0.0060 0.0063 -0.1119 114 ASN B CA 1625 C C . ASN B 106 ? 0.4123 0.3563 0.4006 0.0202 0.0176 -0.1121 114 ASN B C 1626 O O . ASN B 106 ? 0.4451 0.4000 0.4238 0.0225 0.0261 -0.1185 114 ASN B O 1627 C CB . ASN B 106 ? 0.4433 0.3883 0.4046 -0.0037 0.0011 -0.1040 114 ASN B CB 1628 C CG . ASN B 106 ? 0.4888 0.4246 0.4359 -0.0187 -0.0109 -0.1030 114 ASN B CG 1629 O OD1 . ASN B 106 ? 0.5230 0.4458 0.4581 -0.0244 -0.0123 -0.1140 114 ASN B OD1 1630 N ND2 . ASN B 106 ? 0.5020 0.4439 0.4504 -0.0254 -0.0200 -0.0896 114 ASN B ND2 1631 N N . ILE B 107 ? 0.3572 0.2982 0.3681 0.0289 0.0173 -0.1045 115 ILE B N 1632 C CA . ILE B 107 ? 0.3413 0.2907 0.3673 0.0416 0.0266 -0.1031 115 ILE B CA 1633 C C . ILE B 107 ? 0.3890 0.3296 0.4171 0.0492 0.0336 -0.1171 115 ILE B C 1634 O O . ILE B 107 ? 0.4388 0.3626 0.4704 0.0488 0.0294 -0.1217 115 ILE B O 1635 C CB . ILE B 107 ? 0.2743 0.2239 0.3231 0.0466 0.0231 -0.0888 115 ILE B CB 1636 C CG1 . ILE B 107 ? 0.2587 0.2177 0.3065 0.0408 0.0178 -0.0756 115 ILE B CG1 1637 C CG2 . ILE B 107 ? 0.3041 0.2604 0.3679 0.0588 0.0318 -0.0873 115 ILE B CG2 1638 C CD1 . ILE B 107 ? 0.3242 0.2855 0.3929 0.0454 0.0160 -0.0620 115 ILE B CD1 1639 N N . LYS B 108 ? 0.3889 0.3406 0.4152 0.0562 0.0441 -0.1238 116 LYS B N 1640 C CA . LYS B 108 ? 0.4953 0.4399 0.5245 0.0645 0.0517 -0.1381 116 LYS B CA 1641 C C . LYS B 108 ? 0.4748 0.4281 0.5246 0.0781 0.0593 -0.1347 116 LYS B C 1642 O O . LYS B 108 ? 0.4201 0.3896 0.4748 0.0801 0.0618 -0.1248 116 LYS B O 1643 C CB . LYS B 108 ? 0.6220 0.5716 0.6289 0.0601 0.0585 -0.1528 116 LYS B CB 1644 C CG . LYS B 108 ? 0.7449 0.6850 0.7290 0.0454 0.0509 -0.1571 116 LYS B CG 1645 C CD . LYS B 108 ? 0.8411 0.7879 0.8019 0.0401 0.0584 -0.1714 116 LYS B CD 1646 C CE . LYS B 108 ? 0.9007 0.8424 0.8648 0.0505 0.0696 -0.1882 116 LYS B CE 1647 N NZ . LYS B 108 ? 0.9389 0.8895 0.8807 0.0455 0.0775 -0.1990 116 LYS B NZ 1648 N N . ARG B 109 ? 0.5054 0.4471 0.5648 0.0860 0.0614 -0.1397 117 ARG B N 1649 C CA . ARG B 109 ? 0.6142 0.5640 0.6852 0.0950 0.0652 -0.1288 117 ARG B CA 1650 C C . ARG B 109 ? 0.7364 0.7030 0.7976 0.0973 0.0742 -0.1311 117 ARG B C 1651 O O . ARG B 109 ? 0.7709 0.7365 0.8172 0.0948 0.0788 -0.1441 117 ARG B O 1652 C CB . ARG B 109 ? 0.6693 0.6023 0.7482 0.1010 0.0635 -0.1306 117 ARG B CB 1653 C CG . ARG B 109 ? 0.7136 0.6345 0.8068 0.1004 0.0547 -0.1212 117 ARG B CG 1654 C CD . ARG B 109 ? 0.7811 0.6943 0.8840 0.1079 0.0542 -0.1169 117 ARG B CD 1655 N NE . ARG B 109 ? 0.8319 0.7306 0.9454 0.1057 0.0454 -0.1105 117 ARG B NE 1656 C CZ . ARG B 109 ? 0.8562 0.7484 0.9793 0.1103 0.0429 -0.1043 117 ARG B CZ 1657 N NH1 . ARG B 109 ? 0.8700 0.7685 0.9947 0.1181 0.0481 -0.1038 117 ARG B NH1 1658 N NH2 . ARG B 109 ? 0.8591 0.7391 0.9906 0.1067 0.0348 -0.0983 117 ARG B NH2 1659 N N . LYS B 110 ? 0.8015 0.7830 0.8700 0.1012 0.0763 -0.1180 118 LYS B N 1660 C CA . LYS B 110 ? 0.8673 0.8655 0.9286 0.1028 0.0841 -0.1176 118 LYS B CA 1661 C C . LYS B 110 ? 0.9242 0.9327 0.9682 0.0936 0.0861 -0.1237 118 LYS B C 1662 O O . LYS B 110 ? 0.9762 0.9835 1.0056 0.0901 0.0898 -0.1365 118 LYS B O 1663 C CB . LYS B 110 ? 0.8821 0.8761 0.9426 0.1096 0.0900 -0.1263 118 LYS B CB 1664 C CG . LYS B 110 ? 0.8780 0.8647 0.9544 0.1190 0.0880 -0.1196 118 LYS B CG 1665 C CD . LYS B 110 ? 0.8907 0.8756 0.9670 0.1268 0.0949 -0.1279 118 LYS B CD 1666 C CE . LYS B 110 ? 0.8783 0.8589 0.9706 0.1363 0.0925 -0.1203 118 LYS B CE 1667 N NZ . LYS B 110 ? 0.9026 0.8811 0.9964 0.1450 0.0994 -0.1287 118 LYS B NZ 1668 O "O5'" . DG C 1 ? 0.3411 0.3317 0.3474 0.0035 0.0002 -0.0250 1 DG E "O5'" 1669 C "C5'" . DG C 1 ? 0.3137 0.3053 0.3266 0.0029 0.0017 -0.0261 1 DG E "C5'" 1670 C "C4'" . DG C 1 ? 0.2636 0.2496 0.2768 0.0056 0.0038 -0.0230 1 DG E "C4'" 1671 O "O4'" . DG C 1 ? 0.2486 0.2345 0.2576 0.0071 0.0009 -0.0199 1 DG E "O4'" 1672 C "C3'" . DG C 1 ? 0.2658 0.2526 0.2855 0.0051 0.0054 -0.0238 1 DG E "C3'" 1673 O "O3'" . DG C 1 ? 0.2920 0.2736 0.3123 0.0074 0.0087 -0.0216 1 DG E "O3'" 1674 C "C2'" . DG C 1 ? 0.2605 0.2513 0.2798 0.0048 0.0016 -0.0224 1 DG E "C2'" 1675 C "C1'" . DG C 1 ? 0.2334 0.2218 0.2463 0.0069 -0.0004 -0.0194 1 DG E "C1'" 1676 N N9 . DG C 1 ? 0.2539 0.2472 0.2655 0.0059 -0.0052 -0.0181 1 DG E N9 1677 C C8 . DG C 1 ? 0.2484 0.2485 0.2608 0.0031 -0.0081 -0.0195 1 DG E C8 1678 N N7 . DG C 1 ? 0.2604 0.2643 0.2719 0.0027 -0.0124 -0.0169 1 DG E N7 1679 C C5 . DG C 1 ? 0.2293 0.2281 0.2397 0.0057 -0.0124 -0.0143 1 DG E C5 1680 C C6 . DG C 1 ? 0.2279 0.2276 0.2385 0.0068 -0.0163 -0.0111 1 DG E C6 1681 O O6 . DG C 1 ? 0.2266 0.2319 0.2383 0.0051 -0.0208 -0.0091 1 DG E O6 1682 N N1 . DG C 1 ? 0.2281 0.2222 0.2383 0.0100 -0.0148 -0.0101 1 DG E N1 1683 C C2 . DG C 1 ? 0.2561 0.2451 0.2653 0.0118 -0.0100 -0.0115 1 DG E C2 1684 N N2 . DG C 1 ? 0.2292 0.2150 0.2383 0.0148 -0.0091 -0.0105 1 DG E N2 1685 N N3 . DG C 1 ? 0.2642 0.2522 0.2735 0.0106 -0.0065 -0.0137 1 DG E N3 1686 C C4 . DG C 1 ? 0.2307 0.2234 0.2407 0.0077 -0.0080 -0.0152 1 DG E C4 1687 P P . DG C 2 ? 0.3225 0.3041 0.3485 0.0077 0.0107 -0.0213 2 DG E P 1688 O OP1 . DG C 2 ? 0.3512 0.3288 0.3792 0.0088 0.0149 -0.0201 2 DG E OP1 1689 O OP2 . DG C 2 ? 0.3640 0.3503 0.3949 0.0053 0.0093 -0.0240 2 DG E OP2 1690 O "O5'" . DG C 2 ? 0.2795 0.2608 0.3024 0.0099 0.0089 -0.0187 2 DG E "O5'" 1691 C "C5'" . DG C 2 ? 0.2920 0.2700 0.3104 0.0125 0.0100 -0.0162 2 DG E "C5'" 1692 C "C4'" . DG C 2 ? 0.3266 0.3057 0.3448 0.0144 0.0085 -0.0149 2 DG E "C4'" 1693 O "O4'" . DG C 2 ? 0.3441 0.3256 0.3610 0.0139 0.0039 -0.0149 2 DG E "O4'" 1694 C "C3'" . DG C 2 ? 0.3191 0.3002 0.3431 0.0143 0.0097 -0.0155 2 DG E "C3'" 1695 O "O3'" . DG C 2 ? 0.3554 0.3365 0.3789 0.0168 0.0104 -0.0143 2 DG E "O3'" 1696 C "C2'" . DG C 2 ? 0.3263 0.3108 0.3527 0.0125 0.0057 -0.0169 2 DG E "C2'" 1697 C "C1'" . DG C 2 ? 0.2994 0.2842 0.3214 0.0133 0.0021 -0.0156 2 DG E "C1'" 1698 N N9 . DG C 2 ? 0.2720 0.2605 0.2946 0.0110 -0.0019 -0.0160 2 DG E N9 1699 C C8 . DG C 2 ? 0.2453 0.2363 0.2687 0.0083 -0.0020 -0.0178 2 DG E C8 1700 N N7 . DG C 2 ? 0.2410 0.2368 0.2648 0.0065 -0.0061 -0.0175 2 DG E N7 1701 C C5 . DG C 2 ? 0.2322 0.2277 0.2559 0.0082 -0.0090 -0.0151 2 DG E C5 1702 C C6 . DG C 2 ? 0.2282 0.2280 0.2532 0.0073 -0.0141 -0.0132 2 DG E C6 1703 O O6 . DG C 2 ? 0.2305 0.2359 0.2563 0.0047 -0.0170 -0.0129 2 DG E O6 1704 N N1 . DG C 2 ? 0.2272 0.2252 0.2536 0.0097 -0.0159 -0.0114 2 DG E N1 1705 C C2 . DG C 2 ? 0.2277 0.2213 0.2535 0.0126 -0.0129 -0.0119 2 DG E C2 1706 N N2 . DG C 2 ? 0.2763 0.2697 0.3045 0.0148 -0.0153 -0.0107 2 DG E N2 1707 N N3 . DG C 2 ? 0.2298 0.2202 0.2536 0.0134 -0.0081 -0.0133 2 DG E N3 1708 C C4 . DG C 2 ? 0.2465 0.2376 0.2696 0.0110 -0.0065 -0.0147 2 DG E C4 1709 P P . DT C 3 ? 0.4461 0.4299 0.4750 0.0172 0.0116 -0.0150 3 DT E P 1710 O OP1 . DT C 3 ? 0.4593 0.4433 0.4869 0.0195 0.0147 -0.0134 3 DT E OP1 1711 O OP2 . DT C 3 ? 0.4689 0.4535 0.5025 0.0148 0.0126 -0.0164 3 DT E OP2 1712 O "O5'" . DT C 3 ? 0.3931 0.3795 0.4237 0.0177 0.0071 -0.0158 3 DT E "O5'" 1713 C "C5'" . DT C 3 ? 0.3635 0.3498 0.3912 0.0198 0.0048 -0.0151 3 DT E "C5'" 1714 C "C4'" . DT C 3 ? 0.3399 0.3289 0.3718 0.0197 0.0002 -0.0158 3 DT E "C4'" 1715 O "O4'" . DT C 3 ? 0.3511 0.3407 0.3830 0.0172 -0.0029 -0.0155 3 DT E "O4'" 1716 C "C3'" . DT C 3 ? 0.3783 0.3702 0.4166 0.0196 0.0003 -0.0176 3 DT E "C3'" 1717 O "O3'" . DT C 3 ? 0.4368 0.4308 0.4780 0.0218 -0.0018 -0.0183 3 DT E "O3'" 1718 C "C2'" . DT C 3 ? 0.3445 0.3378 0.3861 0.0167 -0.0025 -0.0180 3 DT E "C2'" 1719 C "C1'" . DT C 3 ? 0.3271 0.3198 0.3650 0.0160 -0.0057 -0.0163 3 DT E "C1'" 1720 N N1 . DT C 3 ? 0.2880 0.2824 0.3261 0.0129 -0.0073 -0.0163 3 DT E N1 1721 C C2 . DT C 3 ? 0.2802 0.2778 0.3203 0.0116 -0.0122 -0.0151 3 DT E C2 1722 O O2 . DT C 3 ? 0.2911 0.2895 0.3339 0.0129 -0.0155 -0.0140 3 DT E O2 1723 N N3 . DT C 3 ? 0.2278 0.2282 0.2676 0.0086 -0.0132 -0.0152 3 DT E N3 1724 C C4 . DT C 3 ? 0.2291 0.2293 0.2673 0.0070 -0.0100 -0.0171 3 DT E C4 1725 O O4 . DT C 3 ? 0.2556 0.2597 0.2942 0.0043 -0.0112 -0.0177 3 DT E O4 1726 C C5 . DT C 3 ? 0.3138 0.3097 0.3507 0.0086 -0.0050 -0.0182 3 DT E C5 1727 C C7 . DT C 3 ? 0.3307 0.3258 0.3676 0.0071 -0.0014 -0.0201 3 DT E C7 1728 C C6 . DT C 3 ? 0.3020 0.2953 0.3384 0.0113 -0.0039 -0.0174 3 DT E C6 1729 P P . DT C 4 ? 0.4707 0.4686 0.5194 0.0222 -0.0027 -0.0207 4 DT E P 1730 O OP1 . DT C 4 ? 0.5047 0.5048 0.5548 0.0252 -0.0028 -0.0219 4 DT E OP1 1731 O OP2 . DT C 4 ? 0.4751 0.4734 0.5251 0.0207 0.0007 -0.0215 4 DT E OP2 1732 O "O5'" . DT C 4 ? 0.4237 0.4226 0.4772 0.0207 -0.0082 -0.0205 4 DT E "O5'" 1733 C "C5'" . DT C 4 ? 0.3771 0.3760 0.4313 0.0216 -0.0124 -0.0193 4 DT E "C5'" 1734 C "C4'" . DT C 4 ? 0.3896 0.3906 0.4497 0.0196 -0.0175 -0.0184 4 DT E "C4'" 1735 O "O4'" . DT C 4 ? 0.3510 0.3516 0.4076 0.0166 -0.0175 -0.0168 4 DT E "O4'" 1736 C "C3'" . DT C 4 ? 0.3876 0.3914 0.4559 0.0193 -0.0186 -0.0206 4 DT E "C3'" 1737 O "O3'" . DT C 4 ? 0.4143 0.4202 0.4901 0.0196 -0.0241 -0.0200 4 DT E "O3'" 1738 C "C2'" . DT C 4 ? 0.3650 0.3691 0.4327 0.0161 -0.0177 -0.0203 4 DT E "C2'" 1739 C "C1'" . DT C 4 ? 0.3436 0.3468 0.4059 0.0145 -0.0192 -0.0174 4 DT E "C1'" 1740 N N1 . DT C 4 ? 0.2902 0.2933 0.3487 0.0119 -0.0167 -0.0174 4 DT E N1 1741 C C2 . DT C 4 ? 0.2706 0.2767 0.3295 0.0092 -0.0199 -0.0158 4 DT E C2 1742 O O2 . DT C 4 ? 0.2630 0.2718 0.3254 0.0086 -0.0246 -0.0136 4 DT E O2 1743 N N3 . DT C 4 ? 0.2847 0.2913 0.3407 0.0070 -0.0173 -0.0168 4 DT E N3 1744 C C4 . DT C 4 ? 0.2688 0.2726 0.3222 0.0073 -0.0122 -0.0188 4 DT E C4 1745 O O4 . DT C 4 ? 0.2815 0.2862 0.3338 0.0053 -0.0104 -0.0199 4 DT E O4 1746 C C5 . DT C 4 ? 0.2933 0.2939 0.3464 0.0101 -0.0092 -0.0195 4 DT E C5 1747 C C7 . DT C 4 ? 0.3121 0.3103 0.3634 0.0105 -0.0038 -0.0208 4 DT E C7 1748 C C6 . DT C 4 ? 0.3051 0.3060 0.3604 0.0123 -0.0115 -0.0190 4 DT E C6 1749 P P . DC C 5 ? 0.4216 0.4308 0.5082 0.0196 -0.0267 -0.0224 5 DC E P 1750 O OP1 . DC C 5 ? 0.4475 0.4581 0.5411 0.0218 -0.0307 -0.0229 5 DC E OP1 1751 O OP2 . DC C 5 ? 0.4565 0.4662 0.5424 0.0199 -0.0222 -0.0256 5 DC E OP2 1752 O "O5'" . DC C 5 ? 0.3550 0.3657 0.4445 0.0162 -0.0303 -0.0198 5 DC E "O5'" 1753 C "C5'" . DC C 5 ? 0.3284 0.3400 0.4189 0.0150 -0.0349 -0.0159 5 DC E "C5'" 1754 C "C4'" . DC C 5 ? 0.3233 0.3380 0.4166 0.0115 -0.0376 -0.0136 5 DC E "C4'" 1755 O "O4'" . DC C 5 ? 0.3241 0.3381 0.4092 0.0096 -0.0336 -0.0138 5 DC E "O4'" 1756 C "C3'" . DC C 5 ? 0.3188 0.3358 0.4212 0.0108 -0.0390 -0.0155 5 DC E "C3'" 1757 O "O3'" . DC C 5 ? 0.3855 0.4062 0.4953 0.0087 -0.0449 -0.0120 5 DC E "O3'" 1758 C "C2'" . DC C 5 ? 0.3361 0.3526 0.4333 0.0090 -0.0345 -0.0173 5 DC E "C2'" 1759 C "C1'" . DC C 5 ? 0.2970 0.3133 0.3856 0.0075 -0.0333 -0.0149 5 DC E "C1'" 1760 N N1 . DC C 5 ? 0.3038 0.3180 0.3854 0.0069 -0.0278 -0.0170 5 DC E N1 1761 C C2 . DC C 5 ? 0.2938 0.3103 0.3720 0.0040 -0.0274 -0.0161 5 DC E C2 1762 O O2 . DC C 5 ? 0.3388 0.3597 0.4194 0.0018 -0.0316 -0.0133 5 DC E O2 1763 N N3 . DC C 5 ? 0.2991 0.3138 0.3725 0.0035 -0.0225 -0.0182 5 DC E N3 1764 C C4 . DC C 5 ? 0.2729 0.2836 0.3444 0.0057 -0.0182 -0.0204 5 DC E C4 1765 N N4 . DC C 5 ? 0.2726 0.2816 0.3404 0.0050 -0.0137 -0.0219 5 DC E N4 1766 C C5 . DC C 5 ? 0.2664 0.2754 0.3403 0.0085 -0.0184 -0.0210 5 DC E C5 1767 C C6 . DC C 5 ? 0.2632 0.2740 0.3422 0.0091 -0.0232 -0.0197 5 DC E C6 1768 P P . DT C 6 ? 0.4502 0.4737 0.5723 0.0081 -0.0483 -0.0130 6 DT E P 1769 O OP1 . DT C 6 ? 0.4926 0.5192 0.6238 0.0074 -0.0550 -0.0088 6 DT E OP1 1770 O OP2 . DT C 6 ? 0.4827 0.5041 0.6070 0.0108 -0.0453 -0.0183 6 DT E OP2 1771 O "O5'" . DT C 6 ? 0.5563 0.5820 0.6760 0.0047 -0.0469 -0.0125 6 DT E "O5'" 1772 C "C5'" . DT C 6 ? 0.5724 0.6022 0.6898 0.0015 -0.0494 -0.0081 6 DT E "C5'" 1773 C "C4'" . DT C 6 ? 0.5557 0.5877 0.6705 -0.0012 -0.0470 -0.0092 6 DT E "C4'" 1774 O "O4'" . DT C 6 ? 0.4951 0.5238 0.6000 -0.0006 -0.0410 -0.0121 6 DT E "O4'" 1775 C "C3'" . DT C 6 ? 0.5820 0.6143 0.7041 -0.0014 -0.0470 -0.0119 6 DT E "C3'" 1776 O "O3'" . DT C 6 ? 0.6272 0.6645 0.7508 -0.0048 -0.0483 -0.0101 6 DT E "O3'" 1777 C "C2'" . DT C 6 ? 0.5346 0.5623 0.6504 0.0003 -0.0405 -0.0167 6 DT E "C2'" 1778 C "C1'" . DT C 6 ? 0.4801 0.5081 0.5863 -0.0010 -0.0378 -0.0156 6 DT E "C1'" 1779 N N1 . DT C 6 ? 0.3914 0.4148 0.4903 0.0006 -0.0318 -0.0188 6 DT E N1 1780 C C2 . DT C 6 ? 0.3159 0.3398 0.4086 -0.0011 -0.0286 -0.0194 6 DT E C2 1781 O O2 . DT C 6 ? 0.2953 0.3238 0.3878 -0.0039 -0.0304 -0.0178 6 DT E O2 1782 N N3 . DT C 6 ? 0.2714 0.2911 0.3590 0.0004 -0.0233 -0.0220 6 DT E N3 1783 C C4 . DT C 6 ? 0.2674 0.2833 0.3547 0.0033 -0.0208 -0.0237 6 DT E C4 1784 O O4 . DT C 6 ? 0.3257 0.3387 0.4087 0.0043 -0.0162 -0.0252 6 DT E O4 1785 C C5 . DT C 6 ? 0.3174 0.3338 0.4109 0.0050 -0.0242 -0.0236 6 DT E C5 1786 C C7 . DT C 6 ? 0.3629 0.3771 0.4570 0.0081 -0.0220 -0.0259 6 DT E C7 1787 C C6 . DT C 6 ? 0.3120 0.3317 0.4113 0.0036 -0.0296 -0.0213 6 DT E C6 1788 P P . DA C 7 ? 0.5862 0.6282 0.7215 -0.0066 -0.0542 -0.0073 7 DA E P 1789 O OP1 . DA C 7 ? 0.5529 0.5965 0.6936 -0.0061 -0.0596 -0.0028 7 DA E OP1 1790 O OP2 . DA C 7 ? 0.5828 0.6224 0.7236 -0.0056 -0.0527 -0.0116 7 DA E OP2 1791 O "O5'" . DA C 7 ? 0.4344 0.4832 0.5674 -0.0106 -0.0547 -0.0048 7 DA E "O5'" 1792 C "C5'" . DA C 7 ? 0.3733 0.4251 0.4982 -0.0120 -0.0539 -0.0028 7 DA E "C5'" 1793 C "C4'" . DA C 7 ? 0.3596 0.4146 0.4794 -0.0143 -0.0502 -0.0053 7 DA E "C4'" 1794 O "O4'" . DA C 7 ? 0.3333 0.3817 0.4459 -0.0123 -0.0440 -0.0104 7 DA E "O4'" 1795 C "C3'" . DA C 7 ? 0.3328 0.3909 0.4591 -0.0162 -0.0511 -0.0061 7 DA E "C3'" 1796 O "O3'" . DA C 7 ? 0.3590 0.4248 0.4827 -0.0195 -0.0508 -0.0055 7 DA E "O3'" 1797 C "C2'" . DA C 7 ? 0.3391 0.3898 0.4637 -0.0138 -0.0459 -0.0119 7 DA E "C2'" 1798 C "C1'" . DA C 7 ? 0.3427 0.3896 0.4575 -0.0124 -0.0411 -0.0141 7 DA E "C1'" 1799 N N9 . DA C 7 ? 0.3449 0.3840 0.4575 -0.0091 -0.0370 -0.0178 7 DA E N9 1800 C C8 . DA C 7 ? 0.3571 0.3926 0.4746 -0.0066 -0.0382 -0.0185 7 DA E C8 1801 N N7 . DA C 7 ? 0.3658 0.3960 0.4795 -0.0041 -0.0338 -0.0218 7 DA E N7 1802 C C5 . DA C 7 ? 0.2845 0.3141 0.3908 -0.0050 -0.0295 -0.0229 7 DA E C5 1803 C C6 . DA C 7 ? 0.2473 0.2726 0.3478 -0.0034 -0.0240 -0.0256 7 DA E C6 1804 N N6 . DA C 7 ? 0.2868 0.3081 0.3872 -0.0007 -0.0216 -0.0275 7 DA E N6 1805 N N1 . DA C 7 ? 0.2250 0.2509 0.3206 -0.0049 -0.0212 -0.0263 7 DA E N1 1806 C C2 . DA C 7 ? 0.2352 0.2667 0.3311 -0.0078 -0.0236 -0.0249 7 DA E C2 1807 N N3 . DA C 7 ? 0.2390 0.2758 0.3394 -0.0095 -0.0286 -0.0220 7 DA E N3 1808 C C4 . DA C 7 ? 0.3003 0.3353 0.4059 -0.0080 -0.0315 -0.0209 7 DA E C4 1809 P P . DG C 8 ? 0.4795 0.5515 0.6097 -0.0223 -0.0525 -0.0050 8 DG E P 1810 O OP1 . DG C 8 ? 0.4926 0.5760 0.6226 -0.0260 -0.0556 -0.0009 8 DG E OP1 1811 O OP2 . DG C 8 ? 0.5061 0.5747 0.6455 -0.0211 -0.0553 -0.0044 8 DG E OP2 1812 O "O5'" . DG C 8 ? 0.4138 0.4827 0.5392 -0.0220 -0.0462 -0.0114 8 DG E "O5'" 1813 C "C5'" . DG C 8 ? 0.3892 0.4589 0.5066 -0.0223 -0.0423 -0.0139 8 DG E "C5'" 1814 C "C4'" . DG C 8 ? 0.3845 0.4480 0.4991 -0.0209 -0.0363 -0.0197 8 DG E "C4'" 1815 O "O4'" . DG C 8 ? 0.3866 0.4407 0.4998 -0.0174 -0.0341 -0.0212 8 DG E "O4'" 1816 C "C3'" . DG C 8 ? 0.4174 0.4820 0.5372 -0.0220 -0.0358 -0.0218 8 DG E "C3'" 1817 O "O3'" . DG C 8 ? 0.4592 0.5269 0.5762 -0.0234 -0.0319 -0.0256 8 DG E "O3'" 1818 C "C2'" . DG C 8 ? 0.3868 0.4421 0.5082 -0.0188 -0.0336 -0.0242 8 DG E "C2'" 1819 C "C1'" . DG C 8 ? 0.3664 0.4161 0.4812 -0.0164 -0.0307 -0.0250 8 DG E "C1'" 1820 N N9 . DG C 8 ? 0.2780 0.3205 0.3936 -0.0132 -0.0298 -0.0259 8 DG E N9 1821 C C8 . DG C 8 ? 0.3091 0.3504 0.4306 -0.0119 -0.0334 -0.0243 8 DG E C8 1822 N N7 . DG C 8 ? 0.3110 0.3465 0.4318 -0.0090 -0.0313 -0.0263 8 DG E N7 1823 C C5 . DG C 8 ? 0.2720 0.3045 0.3858 -0.0083 -0.0259 -0.0287 8 DG E C5 1824 C C6 . DG C 8 ? 0.2562 0.2834 0.3665 -0.0057 -0.0217 -0.0310 8 DG E C6 1825 O O6 . DG C 8 ? 0.2644 0.2890 0.3766 -0.0033 -0.0217 -0.0318 8 DG E O6 1826 N N1 . DG C 8 ? 0.2260 0.2518 0.3306 -0.0061 -0.0171 -0.0323 8 DG E N1 1827 C C2 . DG C 8 ? 0.2261 0.2555 0.3292 -0.0086 -0.0168 -0.0324 8 DG E C2 1828 N N2 . DG C 8 ? 0.2274 0.2549 0.3266 -0.0086 -0.0123 -0.0343 8 DG E N2 1829 N N3 . DG C 8 ? 0.2797 0.3149 0.3857 -0.0111 -0.0206 -0.0308 8 DG E N3 1830 C C4 . DG C 8 ? 0.2676 0.3039 0.3787 -0.0108 -0.0250 -0.0286 8 DG E C4 1831 P P . DA C 9 ? 0.5399 0.6093 0.6609 -0.0247 -0.0300 -0.0289 9 DA E P 1832 O OP1 . DA C 9 ? 0.5775 0.6583 0.6996 -0.0283 -0.0320 -0.0280 9 DA E OP1 1833 O OP2 . DA C 9 ? 0.5405 0.6051 0.6669 -0.0234 -0.0315 -0.0284 9 DA E OP2 1834 O "O5'" . DA C 9 ? 0.4446 0.5081 0.5614 -0.0231 -0.0237 -0.0342 9 DA E "O5'" 1835 C "C5'" . DA C 9 ? 0.3840 0.4453 0.4952 -0.0221 -0.0216 -0.0347 9 DA E "C5'" 1836 C "C4'" . DA C 9 ? 0.3688 0.4227 0.4781 -0.0201 -0.0159 -0.0388 9 DA E "C4'" 1837 O "O4'" . DA C 9 ? 0.3389 0.3845 0.4471 -0.0171 -0.0151 -0.0377 9 DA E "O4'" 1838 C "C3'" . DA C 9 ? 0.4199 0.4737 0.5328 -0.0207 -0.0130 -0.0425 9 DA E "C3'" 1839 O "O3'" . DA C 9 ? 0.4917 0.5424 0.6031 -0.0200 -0.0082 -0.0460 9 DA E "O3'" 1840 C "C2'" . DA C 9 ? 0.3786 0.4261 0.4939 -0.0187 -0.0133 -0.0417 9 DA E "C2'" 1841 C "C1'" . DA C 9 ? 0.3070 0.3487 0.4184 -0.0161 -0.0129 -0.0399 9 DA E "C1'" 1842 N N9 . DA C 9 ? 0.2838 0.3222 0.3973 -0.0144 -0.0154 -0.0380 9 DA E N9 1843 C C8 . DA C 9 ? 0.2541 0.2958 0.3720 -0.0152 -0.0204 -0.0354 9 DA E C8 1844 N N7 . DA C 9 ? 0.2704 0.3083 0.3907 -0.0131 -0.0218 -0.0348 9 DA E N7 1845 C C5 . DA C 9 ? 0.2503 0.2826 0.3668 -0.0108 -0.0173 -0.0368 9 DA E C5 1846 C C6 . DA C 9 ? 0.2260 0.2538 0.3427 -0.0080 -0.0162 -0.0376 9 DA E C6 1847 N N6 . DA C 9 ? 0.2249 0.2528 0.3464 -0.0069 -0.0197 -0.0370 9 DA E N6 1848 N N1 . DA C 9 ? 0.2274 0.2515 0.3399 -0.0064 -0.0114 -0.0391 9 DA E N1 1849 C C2 . DA C 9 ? 0.2284 0.2525 0.3376 -0.0075 -0.0082 -0.0398 9 DA E C2 1850 N N3 . DA C 9 ? 0.2424 0.2702 0.3515 -0.0100 -0.0088 -0.0400 9 DA E N3 1851 C C4 . DA C 9 ? 0.2615 0.2937 0.3740 -0.0116 -0.0134 -0.0384 9 DA E C4 1852 P P . DA C 10 ? 0.4974 0.5479 0.6128 -0.0206 -0.0044 -0.0505 10 DA E P 1853 O OP1 . DA C 10 ? 0.5435 0.5970 0.6586 -0.0215 -0.0018 -0.0537 10 DA E OP1 1854 O OP2 . DA C 10 ? 0.4252 0.4802 0.5446 -0.0223 -0.0068 -0.0505 10 DA E OP2 1855 O "O5'" . DA C 10 ? 0.4125 0.4536 0.5277 -0.0178 -0.0011 -0.0507 10 DA E "O5'" 1856 C "C5'" . DA C 10 ? 0.3571 0.3930 0.4688 -0.0158 0.0010 -0.0497 10 DA E "C5'" 1857 C "C4'" . DA C 10 ? 0.3260 0.3551 0.4385 -0.0136 0.0042 -0.0499 10 DA E "C4'" 1858 O "O4'" . DA C 10 ? 0.3113 0.3384 0.4232 -0.0122 0.0018 -0.0475 10 DA E "O4'" 1859 C "C3'" . DA C 10 ? 0.3481 0.3771 0.4653 -0.0143 0.0069 -0.0528 10 DA E "C3'" 1860 O "O3'" . DA C 10 ? 0.3797 0.4038 0.4975 -0.0128 0.0112 -0.0532 10 DA E "O3'" 1861 C "C2'" . DA C 10 ? 0.3376 0.3665 0.4566 -0.0140 0.0045 -0.0520 10 DA E "C2'" 1862 C "C1'" . DA C 10 ? 0.2778 0.3037 0.3934 -0.0120 0.0028 -0.0489 10 DA E "C1'" 1863 N N9 . DA C 10 ? 0.2571 0.2845 0.3742 -0.0119 -0.0016 -0.0474 10 DA E N9 1864 C C8 . DA C 10 ? 0.2518 0.2842 0.3712 -0.0139 -0.0056 -0.0466 10 DA E C8 1865 N N7 . DA C 10 ? 0.2276 0.2601 0.3493 -0.0133 -0.0093 -0.0449 10 DA E N7 1866 C C5 . DA C 10 ? 0.2283 0.2561 0.3488 -0.0107 -0.0075 -0.0451 10 DA E C5 1867 C C6 . DA C 10 ? 0.2277 0.2540 0.3504 -0.0089 -0.0096 -0.0446 10 DA E C6 1868 N N6 . DA C 10 ? 0.2263 0.2549 0.3535 -0.0094 -0.0144 -0.0434 10 DA E N6 1869 N N1 . DA C 10 ? 0.2286 0.2516 0.3492 -0.0065 -0.0067 -0.0453 10 DA E N1 1870 C C2 . DA C 10 ? 0.2301 0.2509 0.3470 -0.0061 -0.0021 -0.0458 10 DA E C2 1871 N N3 . DA C 10 ? 0.2308 0.2520 0.3463 -0.0077 0.0001 -0.0463 10 DA E N3 1872 C C4 . DA C 10 ? 0.2298 0.2546 0.3471 -0.0099 -0.0027 -0.0463 10 DA E C4 1873 P P . DC C 11 ? 0.3955 0.4187 0.5187 -0.0132 0.0149 -0.0561 11 DC E P 1874 O OP1 . DC C 11 ? 0.4507 0.4704 0.5747 -0.0122 0.0186 -0.0558 11 DC E OP1 1875 O OP2 . DC C 11 ? 0.3781 0.4067 0.5047 -0.0155 0.0138 -0.0591 11 DC E OP2 1876 O "O5'" . DC C 11 ? 0.2953 0.3161 0.4192 -0.0120 0.0148 -0.0550 11 DC E "O5'" 1877 C "C5'" . DC C 11 ? 0.2790 0.2964 0.4000 -0.0098 0.0155 -0.0525 11 DC E "C5'" 1878 C "C4'" . DC C 11 ? 0.2599 0.2772 0.3820 -0.0090 0.0142 -0.0524 11 DC E "C4'" 1879 O "O4'" . DC C 11 ? 0.2399 0.2593 0.3611 -0.0094 0.0096 -0.0518 11 DC E "O4'" 1880 C "C3'" . DC C 11 ? 0.2510 0.2690 0.3777 -0.0100 0.0156 -0.0549 11 DC E "C3'" 1881 O "O3'" . DC C 11 ? 0.2610 0.2769 0.3890 -0.0088 0.0193 -0.0544 11 DC E "O3'" 1882 C "C2'" . DC C 11 ? 0.2636 0.2834 0.3912 -0.0102 0.0117 -0.0553 11 DC E "C2'" 1883 C "C1'" . DC C 11 ? 0.2528 0.2727 0.3770 -0.0091 0.0086 -0.0529 11 DC E "C1'" 1884 N N1 . DC C 11 ? 0.2316 0.2541 0.3571 -0.0099 0.0036 -0.0525 11 DC E N1 1885 C C2 . DC C 11 ? 0.2308 0.2532 0.3573 -0.0085 0.0009 -0.0518 11 DC E C2 1886 O O2 . DC C 11 ? 0.2372 0.2579 0.3627 -0.0065 0.0029 -0.0519 11 DC E O2 1887 N N3 . DC C 11 ? 0.2293 0.2541 0.3585 -0.0094 -0.0039 -0.0510 11 DC E N3 1888 C C4 . DC C 11 ? 0.2285 0.2565 0.3588 -0.0117 -0.0059 -0.0505 11 DC E C4 1889 N N4 . DC C 11 ? 0.2270 0.2579 0.3608 -0.0126 -0.0109 -0.0490 11 DC E N4 1890 C C5 . DC C 11 ? 0.2292 0.2582 0.3579 -0.0132 -0.0031 -0.0516 11 DC E C5 1891 C C6 . DC C 11 ? 0.2322 0.2581 0.3589 -0.0122 0.0016 -0.0528 11 DC E C6 1892 P P . DC C 12 ? 0.2730 0.2891 0.4055 -0.0093 0.0214 -0.0564 12 DC E P 1893 O OP1 . DC C 12 ? 0.3202 0.3346 0.4542 -0.0085 0.0256 -0.0549 12 DC E OP1 1894 O OP2 . DC C 12 ? 0.2366 0.2545 0.3720 -0.0113 0.0205 -0.0591 12 DC E OP2 1895 O "O5'" . DC C 12 ? 0.2496 0.2668 0.3820 -0.0084 0.0192 -0.0567 12 DC E "O5'" 1896 C "C5'" . DC C 12 ? 0.2370 0.2543 0.3671 -0.0065 0.0195 -0.0550 12 DC E "C5'" 1897 C "C4'" . DC C 12 ? 0.2621 0.2814 0.3932 -0.0059 0.0162 -0.0563 12 DC E "C4'" 1898 O "O4'" . DC C 12 ? 0.2495 0.2691 0.3799 -0.0064 0.0120 -0.0562 12 DC E "O4'" 1899 C "C3'" . DC C 12 ? 0.2625 0.2829 0.3977 -0.0068 0.0160 -0.0591 12 DC E "C3'" 1900 O "O3'" . DC C 12 ? 0.3081 0.3296 0.4443 -0.0059 0.0191 -0.0593 12 DC E "O3'" 1901 C "C2'" . DC C 12 ? 0.2339 0.2559 0.3706 -0.0066 0.0113 -0.0603 12 DC E "C2'" 1902 C "C1'" . DC C 12 ? 0.2331 0.2545 0.3668 -0.0064 0.0088 -0.0580 12 DC E "C1'" 1903 N N1 . DC C 12 ? 0.2319 0.2542 0.3671 -0.0081 0.0050 -0.0580 12 DC E N1 1904 C C2 . DC C 12 ? 0.2304 0.2542 0.3682 -0.0078 0.0003 -0.0579 12 DC E C2 1905 O O2 . DC C 12 ? 0.2324 0.2567 0.3712 -0.0061 -0.0003 -0.0586 12 DC E O2 1906 N N3 . DC C 12 ? 0.2292 0.2547 0.3691 -0.0096 -0.0034 -0.0571 12 DC E N3 1907 C C4 . DC C 12 ? 0.2294 0.2558 0.3684 -0.0115 -0.0025 -0.0569 12 DC E C4 1908 N N4 . DC C 12 ? 0.2281 0.2577 0.3692 -0.0134 -0.0063 -0.0558 12 DC E N4 1909 C C5 . DC C 12 ? 0.2309 0.2557 0.3674 -0.0117 0.0024 -0.0579 12 DC E C5 1910 C C6 . DC C 12 ? 0.2321 0.2546 0.3671 -0.0100 0.0059 -0.0582 12 DC E C6 1911 O "O5'" . DG D 1 ? 0.3409 0.2915 0.3737 -0.0273 -0.0337 -0.0693 1 DG F "O5'" 1912 C "C5'" . DG D 1 ? 0.2961 0.2532 0.3309 -0.0251 -0.0395 -0.0702 1 DG F "C5'" 1913 C "C4'" . DG D 1 ? 0.2821 0.2447 0.3272 -0.0129 -0.0348 -0.0636 1 DG F "C4'" 1914 O "O4'" . DG D 1 ? 0.2488 0.2055 0.3116 -0.0087 -0.0157 -0.0595 1 DG F "O4'" 1915 C "C3'" . DG D 1 ? 0.2308 0.2065 0.2695 -0.0065 -0.0375 -0.0546 1 DG F "C3'" 1916 O "O3'" . DG D 1 ? 0.2731 0.2580 0.3115 0.0062 -0.0355 -0.0442 1 DG F "O3'" 1917 C "C2'" . DG D 1 ? 0.2260 0.1983 0.2766 -0.0066 -0.0230 -0.0515 1 DG F "C2'" 1918 C "C1'" . DG D 1 ? 0.2103 0.1737 0.2767 -0.0037 -0.0080 -0.0508 1 DG F "C1'" 1919 N N9 . DG D 1 ? 0.2627 0.2176 0.3426 -0.0095 0.0044 -0.0546 1 DG F N9 1920 C C8 . DG D 1 ? 0.2399 0.1874 0.3185 -0.0218 0.0002 -0.0653 1 DG F C8 1921 N N7 . DG D 1 ? 0.2430 0.1843 0.3369 -0.0243 0.0144 -0.0665 1 DG F N7 1922 C C5 . DG D 1 ? 0.2233 0.1678 0.3296 -0.0129 0.0292 -0.0558 1 DG F C5 1923 C C6 . DG D 1 ? 0.2078 0.1490 0.3340 -0.0097 0.0489 -0.0518 1 DG F C6 1924 O O6 . DG D 1 ? 0.2482 0.1835 0.3859 -0.0169 0.0572 -0.0573 1 DG F O6 1925 N N1 . DG D 1 ? 0.2322 0.1783 0.3650 0.0036 0.0598 -0.0401 1 DG F N1 1926 C C2 . DG D 1 ? 0.2563 0.2095 0.3776 0.0127 0.0521 -0.0332 1 DG F C2 1927 N N2 . DG D 1 ? 0.2786 0.2350 0.4080 0.0257 0.0650 -0.0220 1 DG F N2 1928 N N3 . DG D 1 ? 0.2337 0.1908 0.3372 0.0094 0.0334 -0.0372 1 DG F N3 1929 C C4 . DG D 1 ? 0.2075 0.1598 0.3047 -0.0035 0.0231 -0.0485 1 DG F C4 1930 P P . DG D 2 ? 0.2765 0.2769 0.3094 0.0167 -0.0373 -0.0335 2 DG F P 1931 O OP1 . DG D 2 ? 0.3078 0.3167 0.3340 0.0252 -0.0442 -0.0287 2 DG F OP1 1932 O OP2 . DG D 2 ? 0.2315 0.2361 0.2573 0.0105 -0.0451 -0.0371 2 DG F OP2 1933 O "O5'" . DG D 2 ? 0.2765 0.2760 0.3237 0.0261 -0.0178 -0.0234 2 DG F "O5'" 1934 C "C5'" . DG D 2 ? 0.2439 0.2414 0.2992 0.0359 -0.0069 -0.0165 2 DG F "C5'" 1935 C "C4'" . DG D 2 ? 0.2764 0.2774 0.3422 0.0467 0.0096 -0.0051 2 DG F "C4'" 1936 O "O4'" . DG D 2 ? 0.2666 0.2578 0.3456 0.0398 0.0221 -0.0085 2 DG F "O4'" 1937 C "C3'" . DG D 2 ? 0.2503 0.2649 0.3089 0.0532 0.0052 0.0018 2 DG F "C3'" 1938 O "O3'" . DG D 2 ? 0.3096 0.3301 0.3733 0.0684 0.0169 0.0143 2 DG F "O3'" 1939 C "C2'" . DG D 2 ? 0.2647 0.2745 0.3290 0.0438 0.0096 -0.0025 2 DG F "C2'" 1940 C "C1'" . DG D 2 ? 0.2669 0.2639 0.3473 0.0411 0.0259 -0.0038 2 DG F "C1'" 1941 N N9 . DG D 2 ? 0.2348 0.2222 0.3214 0.0277 0.0283 -0.0129 2 DG F N9 1942 C C8 . DG D 2 ? 0.2418 0.2251 0.3195 0.0147 0.0149 -0.0244 2 DG F C8 1943 N N7 . DG D 2 ? 0.2144 0.1886 0.3006 0.0050 0.0211 -0.0308 2 DG F N7 1944 C C5 . DG D 2 ? 0.2059 0.1784 0.3088 0.0115 0.0400 -0.0233 2 DG F C5 1945 C C6 . DG D 2 ? 0.2377 0.2025 0.3566 0.0058 0.0541 -0.0257 2 DG F C6 1946 O O6 . DG D 2 ? 0.2257 0.1833 0.3464 -0.0061 0.0521 -0.0353 2 DG F O6 1947 N N1 . DG D 2 ? 0.1867 0.1530 0.3207 0.0160 0.0725 -0.0156 2 DG F N1 1948 C C2 . DG D 2 ? 0.2326 0.2062 0.3652 0.0303 0.0765 -0.0045 2 DG F C2 1949 N N2 . DG D 2 ? 0.2652 0.2387 0.4135 0.0392 0.0958 0.0045 2 DG F N2 1950 N N3 . DG D 2 ? 0.2263 0.2071 0.3431 0.0359 0.0628 -0.0023 2 DG F N3 1951 C C4 . DG D 2 ? 0.2092 0.1893 0.3124 0.0256 0.0450 -0.0122 2 DG F C4 1952 P P . DT D 3 ? 0.4024 0.4391 0.4589 0.0804 0.0135 0.0238 3 DT F P 1953 O OP1 . DT D 3 ? 0.4662 0.5090 0.5202 0.0949 0.0158 0.0327 3 DT F OP1 1954 O OP2 . DT D 3 ? 0.4211 0.4646 0.4661 0.0725 -0.0034 0.0165 3 DT F OP2 1955 O "O5'" . DT D 3 ? 0.3900 0.4247 0.4589 0.0839 0.0306 0.0304 3 DT F "O5'" 1956 C "C5'" . DT D 3 ? 0.4223 0.4493 0.5054 0.0899 0.0496 0.0367 3 DT F "C5'" 1957 C "C4'" . DT D 3 ? 0.4223 0.4461 0.5181 0.0878 0.0639 0.0396 3 DT F "C4'" 1958 O "O4'" . DT D 3 ? 0.4019 0.4155 0.5024 0.0713 0.0621 0.0283 3 DT F "O4'" 1959 C "C3'" . DT D 3 ? 0.4179 0.4532 0.5092 0.0934 0.0617 0.0456 3 DT F "C3'" 1960 O "O3'" . DT D 3 ? 0.4614 0.5005 0.5607 0.1077 0.0778 0.0582 3 DT F "O3'" 1961 C "C2'" . DT D 3 ? 0.3967 0.4255 0.4930 0.0786 0.0617 0.0377 3 DT F "C2'" 1962 C "C1'" . DT D 3 ? 0.3654 0.3800 0.4721 0.0685 0.0688 0.0303 3 DT F "C1'" 1963 N N1 . DT D 3 ? 0.2895 0.2962 0.3953 0.0514 0.0611 0.0178 3 DT F N1 1964 C C2 . DT D 3 ? 0.2850 0.2825 0.4054 0.0434 0.0738 0.0149 3 DT F C2 1965 O O2 . DT D 3 ? 0.3124 0.3086 0.4474 0.0494 0.0914 0.0222 3 DT F O2 1966 N N3 . DT D 3 ? 0.2480 0.2384 0.3657 0.0284 0.0655 0.0032 3 DT F N3 1967 C C4 . DT D 3 ? 0.2305 0.2214 0.3325 0.0209 0.0468 -0.0055 3 DT F C4 1968 O O4 . DT D 3 ? 0.2586 0.2422 0.3586 0.0081 0.0411 -0.0155 3 DT F O4 1969 C C5 . DT D 3 ? 0.2916 0.2926 0.3798 0.0295 0.0347 -0.0019 3 DT F C5 1970 C C7 . DT D 3 ? 0.3497 0.3529 0.4216 0.0225 0.0149 -0.0107 3 DT F C7 1971 C C6 . DT D 3 ? 0.2651 0.2736 0.3559 0.0441 0.0422 0.0093 3 DT F C6 1972 P P . DT D 4 ? 0.5796 0.6302 0.6772 0.1167 0.0800 0.0666 4 DT F P 1973 O OP1 . DT D 4 ? 0.5764 0.6298 0.6684 0.1281 0.0866 0.0770 4 DT F OP1 1974 O OP2 . DT D 4 ? 0.5733 0.6320 0.6579 0.1114 0.0613 0.0601 4 DT F OP2 1975 O "O5'" . DT D 4 ? 0.4618 0.5041 0.5750 0.1082 0.0944 0.0661 4 DT F "O5'" 1976 C "C5'" . DT D 4 ? 0.3964 0.4274 0.5216 0.1052 0.1104 0.0681 4 DT F "C5'" 1977 C "C4'" . DT D 4 ? 0.3770 0.4012 0.5156 0.0942 0.1199 0.0650 4 DT F "C4'" 1978 O "O4'" . DT D 4 ? 0.3377 0.3563 0.4771 0.0799 0.1109 0.0521 4 DT F "O4'" 1979 C "C3'" . DT D 4 ? 0.3895 0.4209 0.5273 0.0967 0.1212 0.0705 4 DT F "C3'" 1980 O "O3'" . DT D 4 ? 0.4073 0.4297 0.5520 0.0920 0.1338 0.0752 4 DT F "O3'" 1981 C "C2'" . DT D 4 ? 0.3453 0.3760 0.4818 0.0840 0.1103 0.0598 4 DT F "C2'" 1982 C "C1'" . DT D 4 ? 0.3013 0.3199 0.4424 0.0712 0.1095 0.0493 4 DT F "C1'" 1983 N N1 . DT D 4 ? 0.2491 0.2644 0.3782 0.0577 0.0910 0.0366 4 DT F N1 1984 C C2 . DT D 4 ? 0.2528 0.2575 0.3885 0.0424 0.0923 0.0270 4 DT F C2 1985 O O2 . DT D 4 ? 0.2418 0.2404 0.3937 0.0389 0.1075 0.0280 4 DT F O2 1986 N N3 . DT D 4 ? 0.2597 0.2615 0.3829 0.0317 0.0754 0.0161 4 DT F N3 1987 C C4 . DT D 4 ? 0.2262 0.2349 0.3323 0.0341 0.0580 0.0136 4 DT F C4 1988 O O4 . DT D 4 ? 0.2413 0.2464 0.3376 0.0238 0.0443 0.0035 4 DT F O4 1989 C C5 . DT D 4 ? 0.2249 0.2455 0.3258 0.0500 0.0574 0.0237 4 DT F C5 1990 C C7 . DT D 4 ? 0.2659 0.2960 0.3500 0.0540 0.0394 0.0216 4 DT F C7 1991 C C6 . DT D 4 ? 0.2293 0.2523 0.3412 0.0611 0.0736 0.0346 4 DT F C6 1992 P P . DC D 5 ? 0.4070 0.4326 0.5524 0.0935 0.1380 0.0820 5 DC F P 1993 O OP1 . DC D 5 ? 0.4331 0.4507 0.5789 0.0961 0.1484 0.0907 5 DC F OP1 1994 O OP2 . DC D 5 ? 0.4397 0.4797 0.5753 0.1027 0.1278 0.0839 5 DC F OP2 1995 O "O5'" . DC D 5 ? 0.3444 0.3634 0.5026 0.0788 0.1412 0.0736 5 DC F "O5'" 1996 C "C5'" . DC D 5 ? 0.3828 0.3883 0.5506 0.0677 0.1474 0.0678 5 DC F "C5'" 1997 C "C4'" . DC D 5 ? 0.3878 0.3887 0.5647 0.0535 0.1471 0.0582 5 DC F "C4'" 1998 O "O4'" . DC D 5 ? 0.3608 0.3683 0.5366 0.0503 0.1382 0.0492 5 DC F "O4'" 1999 C "C3'" . DC D 5 ? 0.4030 0.4056 0.5817 0.0511 0.1488 0.0614 5 DC F "C3'" 2000 O "O3'" . DC D 5 ? 0.4371 0.4265 0.6241 0.0391 0.1533 0.0562 5 DC F "O3'" 2001 C "C2'" . DC D 5 ? 0.3762 0.3901 0.5531 0.0498 0.1403 0.0559 5 DC F "C2'" 2002 C "C1'" . DC D 5 ? 0.3318 0.3389 0.5031 0.0410 0.1303 0.0447 5 DC F "C1'" 2003 N N1 . DC D 5 ? 0.2670 0.2772 0.4180 0.0393 0.1087 0.0379 5 DC F N1 2004 C C2 . DC D 5 ? 0.2533 0.2557 0.3982 0.0243 0.0972 0.0254 5 DC F C2 2005 O O2 . DC D 5 ? 0.2630 0.2562 0.4187 0.0130 0.1046 0.0203 5 DC F O2 2006 N N3 . DC D 5 ? 0.2533 0.2586 0.3807 0.0229 0.0786 0.0193 5 DC F N3 2007 C C4 . DC D 5 ? 0.2915 0.3078 0.4087 0.0355 0.0714 0.0248 5 DC F C4 2008 N N4 . DC D 5 ? 0.3352 0.3550 0.4368 0.0334 0.0535 0.0182 5 DC F N4 2009 C C5 . DC D 5 ? 0.2876 0.3122 0.4103 0.0511 0.0825 0.0374 5 DC F C5 2010 C C6 . DC D 5 ? 0.2942 0.3151 0.4335 0.0526 0.1011 0.0437 5 DC F C6 2011 P P . DT D 6 ? 0.4932 0.4787 0.6829 0.0365 0.1565 0.0596 6 DT F P 2012 O OP1 . DT D 6 ? 0.5284 0.4995 0.7245 0.0317 0.1619 0.0572 6 DT F OP1 2013 O OP2 . DT D 6 ? 0.4837 0.4798 0.6671 0.0486 0.1569 0.0705 6 DT F OP2 2014 O "O5'" . DT D 6 ? 0.4171 0.4036 0.6082 0.0245 0.1504 0.0499 6 DT F "O5'" 2015 C "C5'" . DT D 6 ? 0.4106 0.3880 0.6049 0.0123 0.1476 0.0381 6 DT F "C5'" 2016 C "C4'" . DT D 6 ? 0.4277 0.4061 0.6197 0.0010 0.1402 0.0302 6 DT F "C4'" 2017 O "O4'" . DT D 6 ? 0.3826 0.3708 0.5701 0.0013 0.1334 0.0286 6 DT F "O4'" 2018 C "C3'" . DT D 6 ? 0.4737 0.4540 0.6643 0.0010 0.1398 0.0341 6 DT F "C3'" 2019 O "O3'" . DT D 6 ? 0.5607 0.5328 0.7485 -0.0113 0.1337 0.0237 6 DT F "O3'" 2020 C "C2'" . DT D 6 ? 0.4347 0.4297 0.6231 0.0062 0.1367 0.0384 6 DT F "C2'" 2021 C "C1'" . DT D 6 ? 0.3821 0.3726 0.5593 -0.0003 0.1233 0.0277 6 DT F "C1'" 2022 N N1 . DT D 6 ? 0.2995 0.2975 0.4581 0.0080 0.1070 0.0270 6 DT F N1 2023 C C2 . DT D 6 ? 0.2478 0.2412 0.3924 -0.0006 0.0906 0.0160 6 DT F C2 2024 O O2 . DT D 6 ? 0.2625 0.2457 0.4083 -0.0142 0.0885 0.0069 6 DT F O2 2025 N N3 . DT D 6 ? 0.2607 0.2623 0.3901 0.0076 0.0769 0.0159 6 DT F N3 2026 C C4 . DT D 6 ? 0.2716 0.2855 0.3979 0.0235 0.0774 0.0253 6 DT F C4 2027 O O4 . DT D 6 ? 0.2805 0.3020 0.3934 0.0298 0.0643 0.0241 6 DT F O4 2028 C C5 . DT D 6 ? 0.3154 0.3330 0.4556 0.0325 0.0949 0.0369 6 DT F C5 2029 C C7 . DT D 6 ? 0.3744 0.4047 0.5116 0.0509 0.0973 0.0479 6 DT F C7 2030 C C6 . DT D 6 ? 0.2977 0.3071 0.4535 0.0243 0.1090 0.0372 6 DT F C6 2031 P P . DA D 7 ? 0.5653 0.5304 0.7536 -0.0133 0.1351 0.0217 7 DA F P 2032 O OP1 . DA D 7 ? 0.5572 0.5151 0.7482 -0.0142 0.1376 0.0160 7 DA F OP1 2033 O OP2 . DA D 7 ? 0.4727 0.4419 0.6636 -0.0055 0.1402 0.0320 7 DA F OP2 2034 O "O5'" . DA D 7 ? 0.4083 0.3710 0.5877 -0.0247 0.1247 0.0121 7 DA F "O5'" 2035 C "C5'" . DA D 7 ? 0.3894 0.3491 0.5620 -0.0325 0.1166 0.0025 7 DA F "C5'" 2036 C "C4'" . DA D 7 ? 0.3098 0.2689 0.4725 -0.0400 0.1059 -0.0018 7 DA F "C4'" 2037 O "O4'" . DA D 7 ? 0.3048 0.2693 0.4712 -0.0379 0.1060 0.0030 7 DA F "O4'" 2038 C "C3'" . DA D 7 ? 0.3028 0.2617 0.4630 -0.0409 0.1046 -0.0002 7 DA F "C3'" 2039 O "O3'" . DA D 7 ? 0.3370 0.2912 0.4840 -0.0486 0.0941 -0.0089 7 DA F "O3'" 2040 C "C2'" . DA D 7 ? 0.3474 0.3115 0.5110 -0.0389 0.1045 0.0056 7 DA F "C2'" 2041 C "C1'" . DA D 7 ? 0.3390 0.3048 0.5026 -0.0404 0.1012 0.0037 7 DA F "C1'" 2042 N N9 . DA D 7 ? 0.3542 0.3324 0.5122 -0.0258 0.0979 0.0112 7 DA F N9 2043 C C8 . DA D 7 ? 0.3569 0.3450 0.5230 -0.0131 0.1084 0.0230 7 DA F C8 2044 N N7 . DA D 7 ? 0.3577 0.3564 0.5133 0.0002 0.1008 0.0271 7 DA F N7 2045 C C5 . DA D 7 ? 0.2842 0.2803 0.4247 -0.0047 0.0844 0.0172 7 DA F C5 2046 C C6 . DA D 7 ? 0.2638 0.2682 0.3893 0.0035 0.0702 0.0155 7 DA F C6 2047 N N6 . DA D 7 ? 0.2818 0.2991 0.4044 0.0193 0.0702 0.0240 7 DA F N6 2048 N N1 . DA D 7 ? 0.2210 0.2201 0.3348 -0.0049 0.0564 0.0047 7 DA F N1 2049 C C2 . DA D 7 ? 0.2385 0.2244 0.3543 -0.0199 0.0566 -0.0037 7 DA F C2 2050 N N3 . DA D 7 ? 0.2736 0.2509 0.4027 -0.0286 0.0689 -0.0033 7 DA F N3 2051 C C4 . DA D 7 ? 0.2777 0.2610 0.4192 -0.0205 0.0825 0.0074 7 DA F C4 2052 P P . DG D 8 ? 0.3221 0.2748 0.4626 -0.0511 0.0900 -0.0096 8 DG F P 2053 O OP1 . DG D 8 ? 0.3704 0.3208 0.5022 -0.0545 0.0853 -0.0148 8 DG F OP1 2054 O OP2 . DG D 8 ? 0.3819 0.3378 0.5331 -0.0453 0.0988 -0.0016 8 DG F OP2 2055 O "O5'" . DG D 8 ? 0.3250 0.2752 0.4547 -0.0562 0.0787 -0.0137 8 DG F "O5'" 2056 C "C5'" . DG D 8 ? 0.3564 0.3038 0.4751 -0.0602 0.0691 -0.0201 8 DG F "C5'" 2057 C "C4'" . DG D 8 ? 0.3546 0.2998 0.4652 -0.0628 0.0593 -0.0235 8 DG F "C4'" 2058 O "O4'" . DG D 8 ? 0.3556 0.3044 0.4793 -0.0600 0.0648 -0.0201 8 DG F "O4'" 2059 C "C3'" . DG D 8 ? 0.3822 0.3258 0.4882 -0.0637 0.0558 -0.0233 8 DG F "C3'" 2060 O "O3'" . DG D 8 ? 0.4204 0.3599 0.5101 -0.0665 0.0423 -0.0287 8 DG F "O3'" 2061 C "C2'" . DG D 8 ? 0.4095 0.3569 0.5310 -0.0603 0.0638 -0.0184 8 DG F "C2'" 2062 C "C1'" . DG D 8 ? 0.3494 0.2990 0.4762 -0.0596 0.0634 -0.0192 8 DG F "C1'" 2063 N N9 . DG D 8 ? 0.3092 0.2718 0.4427 -0.0463 0.0688 -0.0091 8 DG F N9 2064 C C8 . DG D 8 ? 0.3276 0.2959 0.4754 -0.0400 0.0833 0.0016 8 DG F C8 2065 N N7 . DG D 8 ? 0.3264 0.3080 0.4720 -0.0249 0.0832 0.0095 8 DG F N7 2066 C C5 . DG D 8 ? 0.3145 0.3000 0.4442 -0.0215 0.0674 0.0034 8 DG F C5 2067 C C6 . DG D 8 ? 0.2571 0.2561 0.3778 -0.0072 0.0599 0.0072 8 DG F C6 2068 O O6 . DG D 8 ? 0.2868 0.2970 0.4111 0.0065 0.0657 0.0171 8 DG F O6 2069 N N1 . DG D 8 ? 0.2514 0.2503 0.3576 -0.0095 0.0442 -0.0018 8 DG F N1 2070 C C2 . DG D 8 ? 0.2561 0.2428 0.3565 -0.0233 0.0370 -0.0127 8 DG F C2 2071 N N2 . DG D 8 ? 0.3292 0.3182 0.4159 -0.0232 0.0224 -0.0200 8 DG F N2 2072 N N3 . DG D 8 ? 0.2812 0.2548 0.3888 -0.0362 0.0438 -0.0163 8 DG F N3 2073 C C4 . DG D 8 ? 0.2745 0.2484 0.3969 -0.0347 0.0588 -0.0079 8 DG F C4 2074 P P . DA D 9 ? 0.4926 0.4292 0.5731 -0.0673 0.0357 -0.0293 9 DA F P 2075 O OP1 . DA D 9 ? 0.5162 0.4495 0.5839 -0.0685 0.0282 -0.0307 9 DA F OP1 2076 O OP2 . DA D 9 ? 0.4449 0.3838 0.5374 -0.0656 0.0450 -0.0252 9 DA F OP2 2077 O "O5'" . DA D 9 ? 0.4372 0.3730 0.5134 -0.0670 0.0278 -0.0341 9 DA F "O5'" 2078 C "C5'" . DA D 9 ? 0.4309 0.3666 0.4995 -0.0671 0.0200 -0.0383 9 DA F "C5'" 2079 C "C4'" . DA D 9 ? 0.4124 0.3513 0.4835 -0.0656 0.0153 -0.0438 9 DA F "C4'" 2080 O "O4'" . DA D 9 ? 0.4237 0.3695 0.5149 -0.0624 0.0249 -0.0411 9 DA F "O4'" 2081 C "C3'" . DA D 9 ? 0.4081 0.3455 0.4746 -0.0644 0.0107 -0.0456 9 DA F "C3'" 2082 O "O3'" . DA D 9 ? 0.3599 0.2987 0.4134 -0.0622 -0.0016 -0.0512 9 DA F "O3'" 2083 C "C2'" . DA D 9 ? 0.3790 0.3210 0.4685 -0.0629 0.0209 -0.0449 9 DA F "C2'" 2084 C "C1'" . DA D 9 ? 0.3630 0.3173 0.4542 -0.0537 0.0222 -0.0386 9 DA F "C1'" 2085 N N9 . DA D 9 ? 0.2755 0.2395 0.3784 -0.0443 0.0336 -0.0268 9 DA F N9 2086 C C8 . DA D 9 ? 0.3005 0.2592 0.4174 -0.0488 0.0476 -0.0211 9 DA F C8 2087 N N7 . DA D 9 ? 0.3102 0.2803 0.4354 -0.0375 0.0562 -0.0102 9 DA F N7 2088 C C5 . DA D 9 ? 0.2264 0.2098 0.3418 -0.0246 0.0468 -0.0089 9 DA F C5 2089 C C6 . DA D 9 ? 0.2258 0.2248 0.3424 -0.0083 0.0492 0.0007 9 DA F C6 2090 N N6 . DA D 9 ? 0.2336 0.2372 0.3621 -0.0019 0.0628 0.0113 9 DA F N6 2091 N N1 . DA D 9 ? 0.2257 0.2357 0.3309 0.0013 0.0373 -0.0011 9 DA F N1 2092 C C2 . DA D 9 ? 0.2498 0.2556 0.3437 -0.0051 0.0243 -0.0116 9 DA F C2 2093 N N3 . DA D 9 ? 0.2605 0.2517 0.3518 -0.0198 0.0211 -0.0211 9 DA F N3 2094 C C4 . DA D 9 ? 0.2109 0.1912 0.3132 -0.0289 0.0328 -0.0191 9 DA F C4 2095 P P . DA D 10 ? 0.3854 0.3227 0.4297 -0.0596 -0.0086 -0.0535 10 DA F P 2096 O OP1 . DA D 10 ? 0.4206 0.3536 0.4440 -0.0582 -0.0192 -0.0521 10 DA F OP1 2097 O OP2 . DA D 10 ? 0.4136 0.3462 0.4614 -0.0609 -0.0029 -0.0492 10 DA F OP2 2098 O "O5'" . DA D 10 ? 0.4163 0.3656 0.4768 -0.0550 -0.0102 -0.0622 10 DA F "O5'" 2099 C "C5'" . DA D 10 ? 0.4386 0.3975 0.4921 -0.0496 -0.0217 -0.0682 10 DA F "C5'" 2100 C "C4'" . DA D 10 ? 0.3568 0.3356 0.4136 -0.0338 -0.0236 -0.0620 10 DA F "C4'" 2101 O "O4'" . DA D 10 ? 0.3183 0.3019 0.3852 -0.0287 -0.0121 -0.0506 10 DA F "O4'" 2102 C "C3'" . DA D 10 ? 0.3109 0.2952 0.3693 -0.0278 -0.0279 -0.0660 10 DA F "C3'" 2103 O "O3'" . DA D 10 ? 0.3039 0.3048 0.3561 -0.0167 -0.0381 -0.0676 10 DA F "O3'" 2104 C "C2'" . DA D 10 ? 0.2810 0.2699 0.3510 -0.0215 -0.0173 -0.0565 10 DA F "C2'" 2105 C "C1'" . DA D 10 ? 0.2742 0.2689 0.3465 -0.0176 -0.0107 -0.0462 10 DA F "C1'" 2106 N N9 . DA D 10 ? 0.2442 0.2363 0.3286 -0.0177 0.0033 -0.0368 10 DA F N9 2107 C C8 . DA D 10 ? 0.2241 0.2006 0.3161 -0.0302 0.0127 -0.0371 10 DA F C8 2108 N N7 . DA D 10 ? 0.2319 0.2107 0.3352 -0.0272 0.0250 -0.0273 10 DA F N7 2109 C C5 . DA D 10 ? 0.2152 0.2116 0.3174 -0.0113 0.0239 -0.0198 10 DA F C5 2110 C C6 . DA D 10 ? 0.1988 0.2055 0.3093 -0.0002 0.0340 -0.0077 10 DA F C6 2111 N N6 . DA D 10 ? 0.2250 0.2259 0.3482 -0.0042 0.0482 -0.0009 10 DA F N6 2112 N N1 . DA D 10 ? 0.2066 0.2298 0.3121 0.0155 0.0295 -0.0028 10 DA F N1 2113 C C2 . DA D 10 ? 0.2327 0.2625 0.3268 0.0192 0.0156 -0.0097 10 DA F C2 2114 N N3 . DA D 10 ? 0.2307 0.2527 0.3170 0.0096 0.0054 -0.0211 10 DA F N3 2115 C C4 . DA D 10 ? 0.2195 0.2243 0.3100 -0.0054 0.0103 -0.0256 10 DA F C4 2116 P P . DC D 11 ? 0.2993 0.3083 0.3505 -0.0101 -0.0469 -0.0756 11 DC F P 2117 O OP1 . DC D 11 ? 0.2960 0.3153 0.3382 -0.0061 -0.0584 -0.0808 11 DC F OP1 2118 O OP2 . DC D 11 ? 0.3103 0.3028 0.3647 -0.0201 -0.0442 -0.0831 11 DC F OP2 2119 O "O5'" . DC D 11 ? 0.3206 0.3469 0.3790 0.0055 -0.0437 -0.0670 11 DC F "O5'" 2120 C "C5'" . DC D 11 ? 0.3014 0.3437 0.3580 0.0171 -0.0442 -0.0582 11 DC F "C5'" 2121 C "C4'" . DC D 11 ? 0.2758 0.3297 0.3401 0.0300 -0.0380 -0.0492 11 DC F "C4'" 2122 O "O4'" . DC D 11 ? 0.2586 0.3011 0.3307 0.0238 -0.0246 -0.0415 11 DC F "O4'" 2123 C "C3'" . DC D 11 ? 0.2633 0.3221 0.3319 0.0357 -0.0413 -0.0551 11 DC F "C3'" 2124 O "O3'" . DC D 11 ? 0.2596 0.3400 0.3262 0.0521 -0.0489 -0.0543 11 DC F "O3'" 2125 C "C2'" . DC D 11 ? 0.2650 0.3170 0.3437 0.0348 -0.0289 -0.0478 11 DC F "C2'" 2126 C "C1'" . DC D 11 ? 0.2533 0.3019 0.3332 0.0324 -0.0194 -0.0369 11 DC F "C1'" 2127 N N1 . DC D 11 ? 0.2047 0.2383 0.2937 0.0223 -0.0064 -0.0324 11 DC F N1 2128 C C2 . DC D 11 ? 0.2302 0.2692 0.3268 0.0297 0.0050 -0.0200 11 DC F C2 2129 O O2 . DC D 11 ? 0.2163 0.2717 0.3110 0.0448 0.0038 -0.0132 11 DC F O2 2130 N N3 . DC D 11 ? 0.2317 0.2580 0.3379 0.0203 0.0172 -0.0159 11 DC F N3 2131 C C4 . DC D 11 ? 0.1769 0.1855 0.2845 0.0042 0.0179 -0.0236 11 DC F C4 2132 N N4 . DC D 11 ? 0.1780 0.1753 0.2958 -0.0048 0.0302 -0.0192 11 DC F N4 2133 C C5 . DC D 11 ? 0.1742 0.1760 0.2730 -0.0032 0.0064 -0.0361 11 DC F C5 2134 C C6 . DC D 11 ? 0.2021 0.2170 0.2921 0.0063 -0.0053 -0.0400 11 DC F C6 2135 P P . DC D 12 ? 0.2772 0.3673 0.3479 0.0610 -0.0547 -0.0620 12 DC F P 2136 O OP1 . DC D 12 ? 0.3576 0.4681 0.4232 0.0734 -0.0659 -0.0652 12 DC F OP1 2137 O OP2 . DC D 12 ? 0.2664 0.3389 0.3397 0.0477 -0.0546 -0.0725 12 DC F OP2 2138 O "O5'" . DC D 12 ? 0.2817 0.3777 0.3602 0.0713 -0.0455 -0.0519 12 DC F "O5'" 2139 C "C5'" . DC D 12 ? 0.2778 0.3886 0.3550 0.0850 -0.0424 -0.0401 12 DC F "C5'" 2140 C "C4'" . DC D 12 ? 0.2845 0.3957 0.3698 0.0914 -0.0313 -0.0306 12 DC F "C4'" 2141 O "O4'" . DC D 12 ? 0.2579 0.3513 0.3476 0.0782 -0.0194 -0.0247 12 DC F "O4'" 2142 C "C3'" . DC D 12 ? 0.2612 0.3714 0.3533 0.0930 -0.0320 -0.0374 12 DC F "C3'" 2143 O "O3'" . DC D 12 ? 0.2980 0.4288 0.3891 0.1105 -0.0399 -0.0397 12 DC F "O3'" 2144 C "C2'" . DC D 12 ? 0.2217 0.3239 0.3220 0.0914 -0.0178 -0.0268 12 DC F "C2'" 2145 C "C1'" . DC D 12 ? 0.2084 0.2988 0.3073 0.0801 -0.0101 -0.0199 12 DC F "C1'" 2146 N N1 . DC D 12 ? 0.1791 0.2476 0.2836 0.0616 -0.0027 -0.0227 12 DC F N1 2147 C C2 . DC D 12 ? 0.1825 0.2440 0.2962 0.0586 0.0112 -0.0133 12 DC F C2 2148 O O2 . DC D 12 ? 0.2548 0.3280 0.3714 0.0718 0.0173 -0.0027 12 DC F O2 2149 N N3 . DC D 12 ? 0.1936 0.2357 0.3129 0.0415 0.0178 -0.0159 12 DC F N3 2150 C C4 . DC D 12 ? 0.2083 0.2378 0.3234 0.0284 0.0111 -0.0274 12 DC F C4 2151 N N4 . DC D 12 ? 0.1899 0.2004 0.3103 0.0122 0.0180 -0.0295 12 DC F N4 2152 C C5 . DC D 12 ? 0.2108 0.2468 0.3162 0.0316 -0.0028 -0.0370 12 DC F C5 2153 C C6 . DC D 12 ? 0.2167 0.2724 0.3177 0.0479 -0.0092 -0.0343 12 DC F C6 2154 N N . HIS E 4 ? 0.7909 0.8556 0.7839 -0.0644 0.0219 -0.1198 12 HIS C N 2155 C CA . HIS E 4 ? 0.7729 0.8211 0.7788 -0.0604 0.0317 -0.1373 12 HIS C CA 2156 C C . HIS E 4 ? 0.6939 0.7240 0.7237 -0.0486 0.0288 -0.1316 12 HIS C C 2157 O O . HIS E 4 ? 0.7071 0.7233 0.7451 -0.0507 0.0273 -0.1392 12 HIS C O 2158 C CB . HIS E 4 ? 0.8249 0.8782 0.8301 -0.0569 0.0423 -0.1446 12 HIS C CB 2159 C CG . HIS E 4 ? 0.8807 0.9425 0.8668 -0.0700 0.0509 -0.1623 12 HIS C CG 2160 N ND1 . HIS E 4 ? 0.9164 0.9805 0.8848 -0.0848 0.0482 -0.1702 12 HIS C ND1 2161 C CD2 . HIS E 4 ? 0.8970 0.9661 0.8780 -0.0719 0.0626 -0.1739 12 HIS C CD2 2162 C CE1 . HIS E 4 ? 0.9360 1.0070 0.8872 -0.0957 0.0580 -0.1864 12 HIS C CE1 2163 N NE2 . HIS E 4 ? 0.9296 1.0044 0.8885 -0.0879 0.0674 -0.1893 12 HIS C NE2 2164 N N . HIS E 5 ? 0.6145 0.6439 0.6540 -0.0375 0.0273 -0.1178 13 HIS C N 2165 C CA . HIS E 5 ? 0.5863 0.5978 0.6470 -0.0276 0.0250 -0.1123 13 HIS C CA 2166 C C . HIS E 5 ? 0.5511 0.5565 0.6146 -0.0305 0.0161 -0.1047 13 HIS C C 2167 O O . HIS E 5 ? 0.6031 0.6215 0.6543 -0.0371 0.0107 -0.0980 13 HIS C O 2168 C CB . HIS E 5 ? 0.5943 0.6069 0.6598 -0.0176 0.0242 -0.0975 13 HIS C CB 2169 C CG . HIS E 5 ? 0.6025 0.5964 0.6880 -0.0092 0.0217 -0.0914 13 HIS C CG 2170 N ND1 . HIS E 5 ? 0.6207 0.5996 0.7251 -0.0058 0.0256 -0.1023 13 HIS C ND1 2171 C CD2 . HIS E 5 ? 0.5860 0.5733 0.6752 -0.0044 0.0154 -0.0752 13 HIS C CD2 2172 C CE1 . HIS E 5 ? 0.6025 0.5665 0.7212 -0.0001 0.0202 -0.0916 13 HIS C CE1 2173 N NE2 . HIS E 5 ? 0.5754 0.5440 0.6835 0.0002 0.0145 -0.0757 13 HIS C NE2 2174 N N . HIS E 6 ? 0.4473 0.4337 0.5282 -0.0264 0.0142 -0.1055 14 HIS C N 2175 C CA . HIS E 6 ? 0.3627 0.3418 0.4479 -0.0293 0.0060 -0.0973 14 HIS C CA 2176 C C . HIS E 6 ? 0.3521 0.3270 0.4439 -0.0215 0.0023 -0.0801 14 HIS C C 2177 O O . HIS E 6 ? 0.3498 0.3136 0.4525 -0.0140 0.0042 -0.0779 14 HIS C O 2178 C CB . HIS E 6 ? 0.3202 0.2787 0.4183 -0.0321 0.0049 -0.1088 14 HIS C CB 2179 C CG . HIS E 6 ? 0.3605 0.3201 0.4495 -0.0418 0.0075 -0.1258 14 HIS C CG 2180 N ND1 . HIS E 6 ? 0.3419 0.2818 0.4410 -0.0444 0.0080 -0.1399 14 HIS C ND1 2181 C CD2 . HIS E 6 ? 0.3576 0.3341 0.4272 -0.0505 0.0093 -0.1307 14 HIS C CD2 2182 C CE1 . HIS E 6 ? 0.3621 0.3061 0.4470 -0.0543 0.0109 -0.1539 14 HIS C CE1 2183 N NE2 . HIS E 6 ? 0.3565 0.3231 0.4228 -0.0589 0.0115 -0.1482 14 HIS C NE2 2184 N N . VAL E 7 ? 0.2971 0.2811 0.3824 -0.0238 -0.0028 -0.0680 15 VAL C N 2185 C CA . VAL E 7 ? 0.2441 0.2242 0.3327 -0.0178 -0.0052 -0.0528 15 VAL C CA 2186 C C . VAL E 7 ? 0.3229 0.2848 0.4226 -0.0201 -0.0097 -0.0498 15 VAL C C 2187 O O . VAL E 7 ? 0.3494 0.3114 0.4495 -0.0280 -0.0136 -0.0519 15 VAL C O 2188 C CB . VAL E 7 ? 0.2760 0.2744 0.3547 -0.0185 -0.0074 -0.0417 15 VAL C CB 2189 C CG1 . VAL E 7 ? 0.3006 0.2933 0.3813 -0.0124 -0.0083 -0.0277 15 VAL C CG1 2190 C CG2 . VAL E 7 ? 0.3167 0.3322 0.3840 -0.0175 -0.0051 -0.0429 15 VAL C CG2 2191 N N . PRO E 8 ? 0.3191 0.2654 0.4271 -0.0146 -0.0101 -0.0440 16 PRO C N 2192 C CA . PRO E 8 ? 0.3645 0.2926 0.4815 -0.0181 -0.0158 -0.0383 16 PRO C CA 2193 C C . PRO E 8 ? 0.3217 0.2573 0.4313 -0.0236 -0.0187 -0.0286 16 PRO C C 2194 O O . PRO E 8 ? 0.3207 0.2708 0.4211 -0.0201 -0.0160 -0.0212 16 PRO C O 2195 C CB . PRO E 8 ? 0.4046 0.3204 0.5266 -0.0113 -0.0157 -0.0298 16 PRO C CB 2196 C CG . PRO E 8 ? 0.4203 0.3440 0.5427 -0.0045 -0.0097 -0.0367 16 PRO C CG 2197 C CD . PRO E 8 ? 0.3183 0.2635 0.4273 -0.0063 -0.0061 -0.0418 16 PRO C CD 2198 N N . ALA E 9 ? 0.3078 0.2339 0.4224 -0.0321 -0.0242 -0.0287 17 ALA C N 2199 C CA . ALA E 9 ? 0.3388 0.2740 0.4480 -0.0389 -0.0262 -0.0205 17 ALA C CA 2200 C C . ALA E 9 ? 0.3209 0.2580 0.4239 -0.0346 -0.0234 -0.0078 17 ALA C C 2201 O O . ALA E 9 ? 0.2839 0.2380 0.3811 -0.0349 -0.0207 -0.0024 17 ALA C O 2202 C CB . ALA E 9 ? 0.3733 0.2934 0.4887 -0.0495 -0.0334 -0.0210 17 ALA C CB 2203 N N . PHE E 10 ? 0.2919 0.2114 0.3967 -0.0308 -0.0240 -0.0031 18 PHE C N 2204 C CA . PHE E 10 ? 0.2898 0.2069 0.3862 -0.0282 -0.0214 0.0084 18 PHE C CA 2205 C C . PHE E 10 ? 0.2751 0.2116 0.3629 -0.0199 -0.0150 0.0105 18 PHE C C 2206 O O . PHE E 10 ? 0.2888 0.2325 0.3701 -0.0197 -0.0118 0.0174 18 PHE C O 2207 C CB . PHE E 10 ? 0.3253 0.2217 0.4241 -0.0252 -0.0236 0.0131 18 PHE C CB 2208 C CG . PHE E 10 ? 0.2827 0.1754 0.3694 -0.0226 -0.0205 0.0239 18 PHE C CG 2209 C CD1 . PHE E 10 ? 0.3380 0.2219 0.4176 -0.0309 -0.0216 0.0320 18 PHE C CD1 2210 C CD2 . PHE E 10 ? 0.2651 0.1625 0.3456 -0.0130 -0.0162 0.0256 18 PHE C CD2 2211 C CE1 . PHE E 10 ? 0.3371 0.2157 0.4031 -0.0293 -0.0176 0.0406 18 PHE C CE1 2212 C CE2 . PHE E 10 ? 0.3196 0.2112 0.3872 -0.0109 -0.0134 0.0351 18 PHE C CE2 2213 C CZ . PHE E 10 ? 0.3474 0.2290 0.4074 -0.0189 -0.0137 0.0420 18 PHE C CZ 2214 N N . LEU E 11 ? 0.2475 0.1918 0.3356 -0.0133 -0.0132 0.0045 19 LEU C N 2215 C CA . LEU E 11 ? 0.2619 0.2224 0.3420 -0.0058 -0.0091 0.0075 19 LEU C CA 2216 C C . LEU E 11 ? 0.2557 0.2379 0.3354 -0.0082 -0.0086 0.0075 19 LEU C C 2217 O O . LEU E 11 ? 0.2365 0.2291 0.3123 -0.0037 -0.0059 0.0142 19 LEU C O 2218 C CB . LEU E 11 ? 0.2512 0.2151 0.3308 -0.0010 -0.0080 0.0011 19 LEU C CB 2219 C CG . LEU E 11 ? 0.2573 0.2035 0.3387 0.0029 -0.0079 0.0034 19 LEU C CG 2220 C CD1 . LEU E 11 ? 0.2468 0.1994 0.3293 0.0066 -0.0056 -0.0043 19 LEU C CD1 2221 C CD2 . LEU E 11 ? 0.2801 0.2201 0.3518 0.0072 -0.0067 0.0155 19 LEU C CD2 2222 N N . THR E 12 ? 0.2550 0.2435 0.3396 -0.0154 -0.0115 -0.0001 20 THR C N 2223 C CA . THR E 12 ? 0.2132 0.2233 0.2990 -0.0195 -0.0124 0.0007 20 THR C CA 2224 C C . THR E 12 ? 0.2570 0.2695 0.3453 -0.0220 -0.0110 0.0087 20 THR C C 2225 O O . THR E 12 ? 0.2322 0.2630 0.3220 -0.0191 -0.0088 0.0142 20 THR C O 2226 C CB . THR E 12 ? 0.2575 0.2706 0.3463 -0.0290 -0.0166 -0.0090 20 THR C CB 2227 O OG1 . THR E 12 ? 0.2563 0.2694 0.3412 -0.0272 -0.0160 -0.0179 20 THR C OG1 2228 C CG2 . THR E 12 ? 0.2661 0.3021 0.3569 -0.0349 -0.0188 -0.0061 20 THR C CG2 2229 N N . LYS E 13 ? 0.2493 0.2436 0.3388 -0.0279 -0.0124 0.0096 21 LYS C N 2230 C CA . LYS E 13 ? 0.2280 0.2237 0.3175 -0.0325 -0.0102 0.0167 21 LYS C CA 2231 C C . LYS E 13 ? 0.2502 0.2464 0.3337 -0.0235 -0.0036 0.0239 21 LYS C C 2232 O O . LYS E 13 ? 0.2371 0.2470 0.3222 -0.0230 0.0011 0.0283 21 LYS C O 2233 C CB . LYS E 13 ? 0.2740 0.2472 0.3636 -0.0422 -0.0144 0.0172 21 LYS C CB 2234 C CG . LYS E 13 ? 0.3288 0.3001 0.4246 -0.0525 -0.0213 0.0108 21 LYS C CG 2235 C CD . LYS E 13 ? 0.4561 0.4115 0.5520 -0.0647 -0.0259 0.0148 21 LYS C CD 2236 C CE . LYS E 13 ? 0.5114 0.4389 0.6067 -0.0643 -0.0295 0.0170 21 LYS C CE 2237 N NZ . LYS E 13 ? 0.5506 0.4613 0.6469 -0.0785 -0.0370 0.0210 21 LYS C NZ 2238 N N . LEU E 14 ? 0.2365 0.2178 0.3140 -0.0164 -0.0031 0.0247 22 LEU C N 2239 C CA . LEU E 14 ? 0.2181 0.1953 0.2874 -0.0084 0.0024 0.0312 22 LEU C CA 2240 C C . LEU E 14 ? 0.2027 0.2022 0.2745 0.0003 0.0056 0.0327 22 LEU C C 2241 O O . LEU E 14 ? 0.2103 0.2154 0.2812 0.0044 0.0112 0.0373 22 LEU C O 2242 C CB . LEU E 14 ? 0.2123 0.1700 0.2750 -0.0038 0.0008 0.0322 22 LEU C CB 2243 C CG . LEU E 14 ? 0.2487 0.1980 0.3002 0.0035 0.0053 0.0390 22 LEU C CG 2244 C CD1 . LEU E 14 ? 0.2807 0.2178 0.3248 -0.0024 0.0090 0.0441 22 LEU C CD1 2245 C CD2 . LEU E 14 ? 0.2791 0.2131 0.3254 0.0073 0.0024 0.0403 22 LEU C CD2 2246 N N . TRP E 15 ? 0.1983 0.2101 0.2735 0.0027 0.0019 0.0287 23 TRP C N 2247 C CA . TRP E 15 ? 0.1945 0.2267 0.2725 0.0100 0.0024 0.0316 23 TRP C CA 2248 C C . TRP E 15 ? 0.2252 0.2782 0.3142 0.0074 0.0041 0.0340 23 TRP C C 2249 O O . TRP E 15 ? 0.1937 0.2588 0.2875 0.0149 0.0075 0.0392 23 TRP C O 2250 C CB . TRP E 15 ? 0.2085 0.2495 0.2858 0.0092 -0.0029 0.0267 23 TRP C CB 2251 C CG . TRP E 15 ? 0.2129 0.2712 0.2905 0.0158 -0.0046 0.0313 23 TRP C CG 2252 C CD1 . TRP E 15 ? 0.2003 0.2539 0.2699 0.0231 -0.0052 0.0346 23 TRP C CD1 2253 C CD2 . TRP E 15 ? 0.1917 0.2748 0.2791 0.0148 -0.0075 0.0344 23 TRP C CD2 2254 N NE1 . TRP E 15 ? 0.1904 0.2631 0.2637 0.0265 -0.0088 0.0397 23 TRP C NE1 2255 C CE2 . TRP E 15 ? 0.1924 0.2838 0.2777 0.0218 -0.0103 0.0399 23 TRP C CE2 2256 C CE3 . TRP E 15 ? 0.2046 0.3040 0.3030 0.0078 -0.0087 0.0340 23 TRP C CE3 2257 C CZ2 . TRP E 15 ? 0.1919 0.3072 0.2872 0.0225 -0.0151 0.0454 23 TRP C CZ2 2258 C CZ3 . TRP E 15 ? 0.1933 0.3177 0.3018 0.0085 -0.0127 0.0393 23 TRP C CZ3 2259 C CH2 . TRP E 15 ? 0.1990 0.3311 0.3066 0.0160 -0.0162 0.0452 23 TRP C CH2 2260 N N . THR E 16 ? 0.1983 0.2551 0.2924 -0.0032 0.0016 0.0302 24 THR C N 2261 C CA . THR E 16 ? 0.1995 0.2773 0.3048 -0.0077 0.0030 0.0328 24 THR C CA 2262 C C . THR E 16 ? 0.2013 0.2761 0.3071 -0.0051 0.0115 0.0373 24 THR C C 2263 O O . THR E 16 ? 0.2415 0.3362 0.3580 -0.0005 0.0160 0.0411 24 THR C O 2264 C CB . THR E 16 ? 0.2442 0.3227 0.3523 -0.0214 -0.0021 0.0281 24 THR C CB 2265 O OG1 . THR E 16 ? 0.2727 0.3521 0.3784 -0.0241 -0.0086 0.0221 24 THR C OG1 2266 C CG2 . THR E 16 ? 0.2840 0.3870 0.4043 -0.0273 -0.0012 0.0316 24 THR C CG2 2267 N N . LEU E 17 ? 0.2100 0.2600 0.3048 -0.0085 0.0136 0.0368 25 LEU C N 2268 C CA . LEU E 17 ? 0.2414 0.2847 0.3319 -0.0090 0.0221 0.0401 25 LEU C CA 2269 C C . LEU E 17 ? 0.2497 0.2941 0.3384 0.0045 0.0290 0.0433 25 LEU C C 2270 O O . LEU E 17 ? 0.2425 0.2983 0.3369 0.0076 0.0374 0.0450 25 LEU C O 2271 C CB . LEU E 17 ? 0.2448 0.2590 0.3218 -0.0169 0.0206 0.0401 25 LEU C CB 2272 C CG . LEU E 17 ? 0.2938 0.2946 0.3598 -0.0199 0.0287 0.0435 25 LEU C CG 2273 C CD1 . LEU E 17 ? 0.2753 0.2942 0.3480 -0.0274 0.0353 0.0439 25 LEU C CD1 2274 C CD2 . LEU E 17 ? 0.2982 0.2696 0.3514 -0.0291 0.0236 0.0451 25 LEU C CD2 2275 N N . VAL E 18 ? 0.2067 0.2390 0.2876 0.0124 0.0257 0.0438 26 VAL C N 2276 C CA . VAL E 18 ? 0.2075 0.2388 0.2860 0.0251 0.0305 0.0473 26 VAL C CA 2277 C C . VAL E 18 ? 0.2041 0.2644 0.3006 0.0325 0.0313 0.0492 26 VAL C C 2278 O O . VAL E 18 ? 0.2447 0.3108 0.3469 0.0403 0.0390 0.0513 26 VAL C O 2279 C CB . VAL E 18 ? 0.2047 0.2200 0.2719 0.0306 0.0252 0.0483 26 VAL C CB 2280 C CG1 . VAL E 18 ? 0.2070 0.2215 0.2719 0.0435 0.0282 0.0525 26 VAL C CG1 2281 C CG2 . VAL E 18 ? 0.2231 0.2105 0.2755 0.0241 0.0245 0.0480 26 VAL C CG2 2282 N N . SER E 19 ? 0.2039 0.2823 0.3100 0.0294 0.0233 0.0484 27 SER C N 2283 C CA . SER E 19 ? 0.1955 0.3016 0.3191 0.0355 0.0212 0.0522 27 SER C CA 2284 C C . SER E 19 ? 0.2135 0.3418 0.3549 0.0333 0.0271 0.0533 27 SER C C 2285 O O . SER E 19 ? 0.2211 0.3711 0.3803 0.0412 0.0281 0.0576 27 SER C O 2286 C CB . SER E 19 ? 0.1915 0.3093 0.3169 0.0301 0.0103 0.0512 27 SER C CB 2287 O OG . SER E 19 ? 0.1906 0.2926 0.3017 0.0332 0.0059 0.0504 27 SER C OG 2288 N N . ASP E 20 ? 0.2207 0.3443 0.3586 0.0222 0.0308 0.0501 28 ASP C N 2289 C CA . ASP E 20 ? 0.2069 0.3531 0.3607 0.0175 0.0367 0.0509 28 ASP C CA 2290 C C . ASP E 20 ? 0.2088 0.3571 0.3684 0.0273 0.0497 0.0520 28 ASP C C 2291 O O . ASP E 20 ? 0.2242 0.3494 0.3676 0.0268 0.0571 0.0496 28 ASP C O 2292 C CB . ASP E 20 ? 0.2521 0.3892 0.3972 0.0013 0.0362 0.0476 28 ASP C CB 2293 C CG . ASP E 20 ? 0.3536 0.5146 0.5134 -0.0064 0.0419 0.0488 28 ASP C CG 2294 O OD1 . ASP E 20 ? 0.3701 0.5574 0.5498 0.0013 0.0465 0.0519 28 ASP C OD1 2295 O OD2 . ASP E 20 ? 0.4031 0.5567 0.5553 -0.0207 0.0412 0.0471 28 ASP C OD2 2296 N N . PRO E 21 ? 0.2733 0.4498 0.4569 0.0357 0.0527 0.0554 29 PRO C N 2297 C CA . PRO E 21 ? 0.2915 0.4703 0.4833 0.0467 0.0665 0.0548 29 PRO C CA 2298 C C . PRO E 21 ? 0.2801 0.4562 0.4660 0.0368 0.0792 0.0504 29 PRO C C 2299 O O . PRO E 21 ? 0.2953 0.4595 0.4749 0.0424 0.0919 0.0473 29 PRO C O 2300 C CB . PRO E 21 ? 0.3100 0.5244 0.5343 0.0555 0.0650 0.0600 29 PRO C CB 2301 C CG . PRO E 21 ? 0.2929 0.5269 0.5244 0.0426 0.0535 0.0625 29 PRO C CG 2302 C CD . PRO E 21 ? 0.2604 0.4679 0.4656 0.0346 0.0437 0.0599 29 PRO C CD 2303 N N . ASP E 22 ? 0.2584 0.4439 0.4444 0.0210 0.0755 0.0501 30 ASP C N 2304 C CA . ASP E 22 ? 0.3129 0.4989 0.4936 0.0089 0.0862 0.0471 30 ASP C CA 2305 C C . ASP E 22 ? 0.2919 0.4409 0.4424 0.0028 0.0904 0.0438 30 ASP C C 2306 O O . ASP E 22 ? 0.3042 0.4494 0.4460 -0.0070 0.1006 0.0414 30 ASP C O 2307 C CB . ASP E 22 ? 0.3715 0.5731 0.5572 -0.0084 0.0785 0.0485 30 ASP C CB 2308 C CG . ASP E 22 ? 0.4445 0.6855 0.6602 -0.0058 0.0753 0.0527 30 ASP C CG 2309 O OD1 . ASP E 22 ? 0.4508 0.7112 0.6877 0.0086 0.0823 0.0544 30 ASP C OD1 2310 O OD2 . ASP E 22 ? 0.4823 0.7344 0.7012 -0.0186 0.0652 0.0547 30 ASP C OD2 2311 N N . THR E 23 ? 0.2393 0.3619 0.3734 0.0073 0.0820 0.0444 31 THR C N 2312 C CA . THR E 23 ? 0.2555 0.3431 0.3622 0.0012 0.0839 0.0430 31 THR C CA 2313 C C . THR E 23 ? 0.2879 0.3561 0.3842 0.0152 0.0890 0.0426 31 THR C C 2314 O O . THR E 23 ? 0.2614 0.2995 0.3342 0.0108 0.0890 0.0425 31 THR C O 2315 C CB . THR E 23 ? 0.2715 0.3397 0.3656 -0.0079 0.0696 0.0442 31 THR C CB 2316 O OG1 . THR E 23 ? 0.2564 0.3247 0.3550 0.0034 0.0607 0.0453 31 THR C OG1 2317 C CG2 . THR E 23 ? 0.2772 0.3593 0.3790 -0.0228 0.0632 0.0443 31 THR C CG2 2318 N N . ASP E 24 ? 0.2818 0.3664 0.3957 0.0314 0.0924 0.0431 32 ASP C N 2319 C CA . ASP E 24 ? 0.2729 0.3384 0.3778 0.0453 0.0937 0.0436 32 ASP C CA 2320 C C . ASP E 24 ? 0.2947 0.3363 0.3799 0.0450 0.1072 0.0399 32 ASP C C 2321 O O . ASP E 24 ? 0.3414 0.3585 0.4109 0.0521 0.1066 0.0407 32 ASP C O 2322 C CB . ASP E 24 ? 0.2551 0.3437 0.3856 0.0621 0.0935 0.0458 32 ASP C CB 2323 C CG . ASP E 24 ? 0.3137 0.4123 0.4524 0.0646 0.0776 0.0506 32 ASP C CG 2324 O OD1 . ASP E 24 ? 0.3248 0.4084 0.4475 0.0562 0.0680 0.0510 32 ASP C OD1 2325 O OD2 . ASP E 24 ? 0.3356 0.4572 0.4972 0.0748 0.0746 0.0541 32 ASP C OD2 2326 N N . ALA E 25 ? 0.3138 0.3620 0.3980 0.0353 0.1192 0.0360 33 ALA C N 2327 C CA . ALA E 25 ? 0.3201 0.3442 0.3813 0.0312 0.1324 0.0317 33 ALA C CA 2328 C C . ALA E 25 ? 0.3442 0.3324 0.3735 0.0192 0.1243 0.0346 33 ALA C C 2329 O O . ALA E 25 ? 0.3832 0.3441 0.3892 0.0183 0.1307 0.0331 33 ALA C O 2330 C CB . ALA E 25 ? 0.3710 0.4119 0.4364 0.0199 0.1467 0.0270 33 ALA C CB 2331 N N . LEU E 26 ? 0.3051 0.2925 0.3340 0.0099 0.1099 0.0389 34 LEU C N 2332 C CA . LEU E 26 ? 0.3284 0.2847 0.3320 -0.0025 0.1017 0.0423 34 LEU C CA 2333 C C . LEU E 26 ? 0.3390 0.2862 0.3434 0.0036 0.0866 0.0465 34 LEU C C 2334 O O . LEU E 26 ? 0.3391 0.2588 0.3241 -0.0007 0.0810 0.0499 34 LEU C O 2335 C CB . LEU E 26 ? 0.3597 0.3174 0.3590 -0.0227 0.0989 0.0433 34 LEU C CB 2336 C CG . LEU E 26 ? 0.4025 0.3612 0.3912 -0.0345 0.1137 0.0399 34 LEU C CG 2337 C CD1 . LEU E 26 ? 0.4455 0.4065 0.4305 -0.0557 0.1082 0.0424 34 LEU C CD1 2338 C CD2 . LEU E 26 ? 0.4435 0.3706 0.4031 -0.0372 0.1212 0.0392 34 LEU C CD2 2339 N N . ILE E 27 ? 0.2857 0.2563 0.3120 0.0126 0.0802 0.0466 35 ILE C N 2340 C CA . ILE E 27 ? 0.2682 0.2332 0.2954 0.0181 0.0674 0.0494 35 ILE C CA 2341 C C . ILE E 27 ? 0.2675 0.2581 0.3157 0.0318 0.0652 0.0493 35 ILE C C 2342 O O . ILE E 27 ? 0.2706 0.2879 0.3378 0.0309 0.0654 0.0480 35 ILE C O 2343 C CB . ILE E 27 ? 0.2504 0.2113 0.2774 0.0054 0.0565 0.0501 35 ILE C CB 2344 C CG1 . ILE E 27 ? 0.2744 0.2314 0.3034 0.0115 0.0455 0.0513 35 ILE C CG1 2345 C CG2 . ILE E 27 ? 0.2462 0.2318 0.2898 -0.0021 0.0562 0.0478 35 ILE C CG2 2346 C CD1 . ILE E 27 ? 0.2783 0.2223 0.3044 0.0004 0.0359 0.0515 35 ILE C CD1 2347 N N . CYS E 28 ? 0.2509 0.2330 0.2949 0.0433 0.0620 0.0516 36 CYS C N 2348 C CA . CYS E 28 ? 0.2478 0.2503 0.3092 0.0568 0.0609 0.0530 36 CYS C CA 2349 C C . CYS E 28 ? 0.2452 0.2372 0.2992 0.0642 0.0515 0.0567 36 CYS C C 2350 O O . CYS E 28 ? 0.2946 0.2610 0.3291 0.0622 0.0501 0.0581 36 CYS C O 2351 C CB . CYS E 28 ? 0.2869 0.2912 0.3530 0.0660 0.0737 0.0515 36 CYS C CB 2352 S SG . CYS E 28 ? 0.4784 0.5074 0.5707 0.0835 0.0730 0.0541 36 CYS C SG 2353 N N . TRP E 29 ? 0.2446 0.2570 0.3139 0.0714 0.0449 0.0592 37 TRP C N 2354 C CA . TRP E 29 ? 0.2445 0.2486 0.3064 0.0780 0.0366 0.0634 37 TRP C CA 2355 C C . TRP E 29 ? 0.2375 0.2245 0.2914 0.0888 0.0417 0.0659 37 TRP C C 2356 O O . TRP E 29 ? 0.2649 0.2582 0.3297 0.0958 0.0505 0.0646 37 TRP C O 2357 C CB . TRP E 29 ? 0.2436 0.2737 0.3224 0.0815 0.0276 0.0663 37 TRP C CB 2358 C CG . TRP E 29 ? 0.2140 0.2573 0.2964 0.0708 0.0212 0.0634 37 TRP C CG 2359 C CD1 . TRP E 29 ? 0.2384 0.3057 0.3374 0.0655 0.0205 0.0617 37 TRP C CD1 2360 C CD2 . TRP E 29 ? 0.2021 0.2350 0.2715 0.0636 0.0149 0.0613 37 TRP C CD2 2361 N NE1 . TRP E 29 ? 0.1964 0.2664 0.2915 0.0554 0.0139 0.0581 37 TRP C NE1 2362 C CE2 . TRP E 29 ? 0.1963 0.2458 0.2744 0.0547 0.0110 0.0573 37 TRP C CE2 2363 C CE3 . TRP E 29 ? 0.2430 0.2546 0.2951 0.0638 0.0124 0.0623 37 TRP C CE3 2364 C CZ2 . TRP E 29 ? 0.2000 0.2442 0.2705 0.0469 0.0059 0.0528 37 TRP C CZ2 2365 C CZ3 . TRP E 29 ? 0.2278 0.2371 0.2746 0.0563 0.0073 0.0587 37 TRP C CZ3 2366 C CH2 . TRP E 29 ? 0.2297 0.2547 0.2859 0.0484 0.0047 0.0534 37 TRP C CH2 2367 N N . SER E 30 ? 0.2603 0.2093 0.2558 0.0258 0.0219 -0.0050 38 SER C N 2368 C CA . SER E 30 ? 0.3147 0.2563 0.3048 0.0321 0.0164 -0.0045 38 SER C CA 2369 C C . SER E 30 ? 0.2650 0.2164 0.2676 0.0336 0.0095 -0.0040 38 SER C C 2370 O O . SER E 30 ? 0.2665 0.2299 0.2782 0.0292 0.0070 -0.0041 38 SER C O 2371 C CB . SER E 30 ? 0.3670 0.2965 0.3421 0.0303 0.0103 -0.0030 38 SER C CB 2372 O OG . SER E 30 ? 0.4474 0.3830 0.4244 0.0239 0.0037 -0.0007 38 SER C OG 2373 N N . PRO E 31 ? 0.2952 0.2418 0.2982 0.0406 0.0055 -0.0042 39 PRO C N 2374 C CA . PRO E 31 ? 0.2737 0.2280 0.2867 0.0435 -0.0020 -0.0032 39 PRO C CA 2375 C C . PRO E 31 ? 0.2704 0.2266 0.2801 0.0384 -0.0103 0.0015 39 PRO C C 2376 O O . PRO E 31 ? 0.3202 0.2892 0.3395 0.0392 -0.0145 0.0016 39 PRO C O 2377 C CB . PRO E 31 ? 0.3329 0.2756 0.3426 0.0518 -0.0060 -0.0035 39 PRO C CB 2378 C CG . PRO E 31 ? 0.3293 0.2675 0.3345 0.0550 0.0026 -0.0076 39 PRO C CG 2379 C CD . PRO E 31 ? 0.3308 0.2665 0.3268 0.0477 0.0080 -0.0064 39 PRO C CD 2380 N N . SER E 32 ? 0.2848 0.2300 0.2814 0.0339 -0.0125 0.0049 40 SER C N 2381 C CA . SER E 32 ? 0.3262 0.2745 0.3184 0.0287 -0.0192 0.0098 40 SER C CA 2382 C C . SER E 32 ? 0.3239 0.2888 0.3223 0.0234 -0.0178 0.0075 40 SER C C 2383 O O . SER E 32 ? 0.3067 0.2810 0.3054 0.0211 -0.0237 0.0101 40 SER C O 2384 C CB . SER E 32 ? 0.3590 0.2939 0.3375 0.0242 -0.0204 0.0123 40 SER C CB 2385 O OG . SER E 32 ? 0.3203 0.2557 0.2944 0.0203 -0.0143 0.0081 40 SER C OG 2386 N N . GLY E 33 ? 0.2926 0.2609 0.2958 0.0216 -0.0100 0.0025 41 GLY C N 2387 C CA . GLY E 33 ? 0.2841 0.2653 0.2943 0.0161 -0.0082 -0.0008 41 GLY C CA 2388 C C . GLY E 33 ? 0.2670 0.2447 0.2656 0.0099 -0.0099 0.0001 41 GLY C C 2389 O O . GLY E 33 ? 0.2651 0.2533 0.2688 0.0055 -0.0101 -0.0032 41 GLY C O 2390 N N . ASN E 34 ? 0.2586 0.2221 0.2430 0.0098 -0.0113 0.0031 42 ASN C N 2391 C CA . ASN E 34 ? 0.2437 0.2049 0.2172 0.0042 -0.0135 0.0032 42 ASN C CA 2392 C C . ASN E 34 ? 0.2611 0.2115 0.2262 0.0038 -0.0076 -0.0003 42 ASN C C 2393 O O . ASN E 34 ? 0.2946 0.2430 0.2507 0.0001 -0.0093 -0.0019 42 ASN C O 2394 C CB . ASN E 34 ? 0.2470 0.2008 0.2111 0.0034 -0.0192 0.0083 42 ASN C CB 2395 C CG . ASN E 34 ? 0.2958 0.2600 0.2638 0.0035 -0.0256 0.0134 42 ASN C CG 2396 O OD1 . ASN E 34 ? 0.2956 0.2760 0.2700 0.0022 -0.0277 0.0119 42 ASN C OD1 2397 N ND2 . ASN E 34 ? 0.3069 0.2614 0.2711 0.0057 -0.0292 0.0195 42 ASN C ND2 2398 N N . SER E 35 ? 0.2619 0.2063 0.2292 0.0083 -0.0008 -0.0017 43 SER C N 2399 C CA . SER E 35 ? 0.2697 0.2035 0.2274 0.0099 0.0054 -0.0041 43 SER C CA 2400 C C . SER E 35 ? 0.2617 0.1968 0.2276 0.0131 0.0142 -0.0046 43 SER C C 2401 O O . SER E 35 ? 0.2822 0.2262 0.2613 0.0142 0.0146 -0.0041 43 SER C O 2402 C CB . SER E 35 ? 0.2884 0.2086 0.2335 0.0141 0.0040 -0.0044 43 SER C CB 2403 O OG . SER E 35 ? 0.3686 0.2860 0.3184 0.0196 0.0040 -0.0031 43 SER C OG 2404 N N . PHE E 36 ? 0.2707 0.1977 0.2287 0.0148 0.0214 -0.0054 44 PHE C N 2405 C CA . PHE E 36 ? 0.2623 0.1902 0.2271 0.0176 0.0314 -0.0046 44 PHE C CA 2406 C C . PHE E 36 ? 0.3238 0.2390 0.2729 0.0246 0.0375 -0.0042 44 PHE C C 2407 O O . PHE E 36 ? 0.3238 0.2296 0.2577 0.0267 0.0338 -0.0057 44 PHE C O 2408 C CB . PHE E 36 ? 0.2593 0.1932 0.2349 0.0117 0.0365 -0.0048 44 PHE C CB 2409 C CG . PHE E 36 ? 0.2877 0.2115 0.2510 0.0102 0.0386 -0.0048 44 PHE C CG 2410 C CD1 . PHE E 36 ? 0.2964 0.2215 0.2556 0.0060 0.0304 -0.0073 44 PHE C CD1 2411 C CD2 . PHE E 36 ? 0.3093 0.2231 0.2652 0.0133 0.0489 -0.0021 44 PHE C CD2 2412 C CE1 . PHE E 36 ? 0.3046 0.2208 0.2531 0.0055 0.0314 -0.0082 44 PHE C CE1 2413 C CE2 . PHE E 36 ? 0.3183 0.2216 0.2621 0.0130 0.0502 -0.0017 44 PHE C CE2 2414 C CZ . PHE E 36 ? 0.3164 0.2207 0.2568 0.0093 0.0410 -0.0053 44 PHE C CZ 2415 N N . HIS E 37 ? 0.2920 0.2087 0.2454 0.0288 0.0465 -0.0031 45 HIS C N 2416 C CA . HIS E 37 ? 0.2936 0.2009 0.2321 0.0370 0.0532 -0.0027 45 HIS C CA 2417 C C . HIS E 37 ? 0.3340 0.2392 0.2711 0.0364 0.0656 0.0011 45 HIS C C 2418 O O . HIS E 37 ? 0.3342 0.2480 0.2880 0.0308 0.0713 0.0028 45 HIS C O 2419 C CB . HIS E 37 ? 0.3204 0.2314 0.2627 0.0444 0.0540 -0.0045 45 HIS C CB 2420 C CG . HIS E 37 ? 0.3736 0.2827 0.3156 0.0463 0.0426 -0.0074 45 HIS C CG 2421 N ND1 . HIS E 37 ? 0.4166 0.3164 0.3458 0.0534 0.0389 -0.0108 45 HIS C ND1 2422 C CD2 . HIS E 37 ? 0.3896 0.3042 0.3429 0.0421 0.0342 -0.0073 45 HIS C CD2 2423 C CE1 . HIS E 37 ? 0.4286 0.3270 0.3625 0.0524 0.0290 -0.0123 45 HIS C CE1 2424 N NE2 . HIS E 37 ? 0.3903 0.2973 0.3375 0.0459 0.0262 -0.0094 45 HIS C NE2 2425 N N . VAL E 38 ? 0.3370 0.2308 0.2545 0.0424 0.0696 0.0023 46 VAL C N 2426 C CA . VAL E 38 ? 0.3499 0.2396 0.2619 0.0449 0.0830 0.0075 46 VAL C CA 2427 C C . VAL E 38 ? 0.3858 0.2751 0.2866 0.0562 0.0882 0.0070 46 VAL C C 2428 O O . VAL E 38 ? 0.3898 0.2727 0.2743 0.0642 0.0823 0.0030 46 VAL C O 2429 C CB . VAL E 38 ? 0.3501 0.2267 0.2459 0.0451 0.0843 0.0101 46 VAL C CB 2430 C CG1 . VAL E 38 ? 0.3928 0.2634 0.2810 0.0487 0.0993 0.0175 46 VAL C CG1 2431 C CG2 . VAL E 38 ? 0.3723 0.2505 0.2801 0.0346 0.0784 0.0092 46 VAL C CG2 2432 N N . PHE E 39 ? 0.3860 0.2840 0.2969 0.0570 0.0989 0.0097 47 PHE C N 2433 C CA . PHE E 39 ? 0.4056 0.3065 0.3072 0.0682 0.1049 0.0087 47 PHE C CA 2434 C C . PHE E 39 ? 0.4203 0.3155 0.3072 0.0726 0.1194 0.0161 47 PHE C C 2435 O O . PHE E 39 ? 0.4638 0.3565 0.3570 0.0648 0.1279 0.0228 47 PHE C O 2436 C CB . PHE E 39 ? 0.4140 0.3307 0.3362 0.0678 0.1070 0.0060 47 PHE C CB 2437 C CG . PHE E 39 ? 0.3927 0.3142 0.3280 0.0651 0.0932 0.0000 47 PHE C CG 2438 C CD1 . PHE E 39 ? 0.4205 0.3364 0.3462 0.0721 0.0823 -0.0055 47 PHE C CD1 2439 C CD2 . PHE E 39 ? 0.4119 0.3435 0.3695 0.0561 0.0911 -0.0002 47 PHE C CD2 2440 C CE1 . PHE E 39 ? 0.4149 0.3332 0.3520 0.0695 0.0703 -0.0092 47 PHE C CE1 2441 C CE2 . PHE E 39 ? 0.4223 0.3577 0.3896 0.0548 0.0784 -0.0045 47 PHE C CE2 2442 C CZ . PHE E 39 ? 0.4131 0.3409 0.3696 0.0612 0.0685 -0.0081 47 PHE C CZ 2443 N N . ASP E 40 ? 0.4548 0.3480 0.3225 0.0855 0.1222 0.0147 48 ASP C N 2444 C CA . ASP E 40 ? 0.5188 0.4082 0.3697 0.0922 0.1368 0.0224 48 ASP C CA 2445 C C . ASP E 40 ? 0.5228 0.3977 0.3648 0.0866 0.1413 0.0306 48 ASP C C 2446 O O . ASP E 40 ? 0.5008 0.3759 0.3535 0.0784 0.1530 0.0388 48 ASP C O 2447 C CB . ASP E 40 ? 0.5918 0.4956 0.4576 0.0904 0.1509 0.0262 48 ASP C CB 2448 C CG . ASP E 40 ? 0.6696 0.5881 0.5437 0.0976 0.1464 0.0173 48 ASP C CG 2449 O OD1 . ASP E 40 ? 0.6810 0.5967 0.5403 0.1089 0.1378 0.0104 48 ASP C OD1 2450 O OD2 . ASP E 40 ? 0.7196 0.6525 0.6161 0.0922 0.1508 0.0163 48 ASP C OD2 2451 N N . GLN E 41 ? 0.5639 0.4264 0.3875 0.0913 0.1317 0.0277 49 GLN C N 2452 C CA . GLN E 41 ? 0.6217 0.4697 0.4373 0.0866 0.1319 0.0331 49 GLN C CA 2453 C C . GLN E 41 ? 0.6246 0.4643 0.4304 0.0878 0.1484 0.0455 49 GLN C C 2454 O O . GLN E 41 ? 0.6214 0.4534 0.4360 0.0779 0.1525 0.0517 49 GLN C O 2455 C CB . GLN E 41 ? 0.6916 0.5295 0.4851 0.0953 0.1200 0.0268 49 GLN C CB 2456 C CG . GLN E 41 ? 0.7354 0.5780 0.5400 0.0905 0.1039 0.0163 49 GLN C CG 2457 C CD . GLN E 41 ? 0.7681 0.6003 0.5603 0.0909 0.0937 0.0122 49 GLN C CD 2458 O OE1 . GLN E 41 ? 0.7768 0.5972 0.5525 0.0949 0.0978 0.0171 49 GLN C OE1 2459 N NE2 . GLN E 41 ? 0.7493 0.5858 0.5495 0.0868 0.0805 0.0035 49 GLN C NE2 2460 N N . GLY E 42 ? 0.6384 0.4796 0.4262 0.1000 0.1580 0.0492 50 GLY C N 2461 C CA . GLY E 42 ? 0.6736 0.5066 0.4494 0.1020 0.1752 0.0627 50 GLY C CA 2462 C C . GLY E 42 ? 0.6570 0.4962 0.4606 0.0872 0.1872 0.0697 50 GLY C C 2463 O O . GLY E 42 ? 0.6873 0.5143 0.4929 0.0800 0.1957 0.0795 50 GLY C O 2464 N N . GLN E 43 ? 0.6170 0.4751 0.4433 0.0827 0.1871 0.0637 51 GLN C N 2465 C CA . GLN E 43 ? 0.5895 0.4580 0.4453 0.0694 0.1978 0.0676 51 GLN C CA 2466 C C . GLN E 43 ? 0.5264 0.3907 0.4046 0.0548 0.1899 0.0652 51 GLN C C 2467 O O . GLN E 43 ? 0.5485 0.4107 0.4437 0.0438 0.2000 0.0717 51 GLN C O 2468 C CB . GLN E 43 ? 0.6079 0.4989 0.4810 0.0708 0.1973 0.0595 51 GLN C CB 2469 C CG . GLN E 43 ? 0.7071 0.6122 0.6068 0.0607 0.2119 0.0634 51 GLN C CG 2470 C CD . GLN E 43 ? 0.8597 0.7628 0.7467 0.0643 0.2329 0.0760 51 GLN C CD 2471 O OE1 . GLN E 43 ? 0.9212 0.8103 0.7775 0.0747 0.2363 0.0830 51 GLN C OE1 2472 N NE2 . GLN E 43 ? 0.9073 0.8253 0.8177 0.0561 0.2472 0.0789 51 GLN C NE2 2473 N N . PHE E 44 ? 0.4709 0.3350 0.3500 0.0547 0.1721 0.0555 52 PHE C N 2474 C CA . PHE E 44 ? 0.4402 0.3024 0.3379 0.0427 0.1628 0.0518 52 PHE C CA 2475 C C . PHE E 44 ? 0.5044 0.3474 0.3937 0.0391 0.1672 0.0597 52 PHE C C 2476 O O . PHE E 44 ? 0.4727 0.3151 0.3834 0.0274 0.1696 0.0611 52 PHE C O 2477 C CB . PHE E 44 ? 0.4214 0.2855 0.3151 0.0453 0.1439 0.0414 52 PHE C CB 2478 C CG . PHE E 44 ? 0.4199 0.2816 0.3263 0.0355 0.1333 0.0376 52 PHE C CG 2479 C CD1 . PHE E 44 ? 0.3953 0.2712 0.3301 0.0254 0.1292 0.0327 52 PHE C CD1 2480 C CD2 . PHE E 44 ? 0.4435 0.2903 0.3328 0.0375 0.1265 0.0376 52 PHE C CD2 2481 C CE1 . PHE E 44 ? 0.3879 0.2636 0.3333 0.0176 0.1191 0.0283 52 PHE C CE1 2482 C CE2 . PHE E 44 ? 0.4164 0.2629 0.3171 0.0293 0.1165 0.0331 52 PHE C CE2 2483 C CZ . PHE E 44 ? 0.3681 0.2293 0.2966 0.0193 0.1130 0.0286 52 PHE C CZ 2484 N N . ALA E 45 ? 0.5470 0.3746 0.4056 0.0500 0.1680 0.0643 53 ALA C N 2485 C CA . ALA E 45 ? 0.6006 0.4077 0.4476 0.0490 0.1716 0.0723 53 ALA C CA 2486 C C . ALA E 45 ? 0.6125 0.4139 0.4675 0.0432 0.1912 0.0853 53 ALA C C 2487 O O . ALA E 45 ? 0.5807 0.3680 0.4419 0.0359 0.1944 0.0910 53 ALA C O 2488 C CB . ALA E 45 ? 0.6328 0.4261 0.4435 0.0642 0.1673 0.0733 53 ALA C CB 2489 N N . LYS E 46 ? 0.6471 0.4597 0.5031 0.0462 0.2043 0.0898 54 LYS C N 2490 C CA . LYS E 46 ? 0.7213 0.5299 0.5838 0.0408 0.2250 0.1032 54 LYS C CA 2491 C C . LYS E 46 ? 0.6913 0.5130 0.5945 0.0240 0.2304 0.1008 54 LYS C C 2492 O O . LYS E 46 ? 0.7142 0.5266 0.6306 0.0143 0.2424 0.1096 54 LYS C O 2493 C CB . LYS E 46 ? 0.8022 0.6196 0.6475 0.0519 0.2380 0.1088 54 LYS C CB 2494 C CG . LYS E 46 ? 0.8975 0.7011 0.7016 0.0694 0.2373 0.1139 54 LYS C CG 2495 C CD . LYS E 46 ? 0.9422 0.7609 0.7374 0.0797 0.2445 0.1152 54 LYS C CD 2496 C CE . LYS E 46 ? 0.9766 0.7857 0.7370 0.0973 0.2391 0.1171 54 LYS C CE 2497 N NZ . LYS E 46 ? 0.9938 0.8192 0.7468 0.1071 0.2458 0.1182 54 LYS C NZ 2498 N N . GLU E 47 ? 0.6183 0.4616 0.5419 0.0211 0.2213 0.0885 55 GLU C N 2499 C CA . GLU E 47 ? 0.6162 0.4765 0.5782 0.0075 0.2264 0.0844 55 GLU C CA 2500 C C . GLU E 47 ? 0.5661 0.4295 0.5516 -0.0023 0.2114 0.0741 55 GLU C C 2501 O O . GLU E 47 ? 0.5914 0.4624 0.6086 -0.0147 0.2161 0.0721 55 GLU C O 2502 C CB . GLU E 47 ? 0.6710 0.5557 0.6423 0.0115 0.2277 0.0776 55 GLU C CB 2503 C CG . GLU E 47 ? 0.8033 0.6911 0.7573 0.0203 0.2442 0.0863 55 GLU C CG 2504 C CD . GLU E 47 ? 0.9113 0.8259 0.8848 0.0205 0.2486 0.0793 55 GLU C CD 2505 O OE1 . GLU E 47 ? 0.9357 0.8652 0.9380 0.0128 0.2401 0.0687 55 GLU C OE1 2506 O OE2 . GLU E 47 ? 0.9782 0.8997 0.9379 0.0293 0.2601 0.0838 55 GLU C OE2 2507 N N . VAL E 48 ? 0.4995 0.3584 0.4706 0.0033 0.1936 0.0670 56 VAL C N 2508 C CA . VAL E 48 ? 0.4986 0.3645 0.4902 -0.0045 0.1786 0.0564 56 VAL C CA 2509 C C . VAL E 48 ? 0.5139 0.3615 0.5004 -0.0079 0.1723 0.0576 56 VAL C C 2510 O O . VAL E 48 ? 0.5607 0.4109 0.5728 -0.0185 0.1706 0.0538 56 VAL C O 2511 C CB . VAL E 48 ? 0.4845 0.3615 0.4688 0.0022 0.1622 0.0464 56 VAL C CB 2512 C CG1 . VAL E 48 ? 0.4493 0.3340 0.4524 -0.0052 0.1474 0.0367 56 VAL C CG1 2513 C CG2 . VAL E 48 ? 0.5062 0.4016 0.4990 0.0056 0.1666 0.0436 56 VAL C CG2 2514 N N . LEU E 49 ? 0.4997 0.3298 0.4543 0.0017 0.1683 0.0615 57 LEU C N 2515 C CA . LEU E 49 ? 0.5366 0.3492 0.4844 0.0001 0.1614 0.0618 57 LEU C CA 2516 C C . LEU E 49 ? 0.5584 0.3579 0.5215 -0.0090 0.1734 0.0698 57 LEU C C 2517 O O . LEU E 49 ? 0.5402 0.3369 0.5204 -0.0167 0.1661 0.0644 57 LEU C O 2518 C CB . LEU E 49 ? 0.5561 0.3520 0.4659 0.0135 0.1573 0.0653 57 LEU C CB 2519 C CG . LEU E 49 ? 0.5697 0.3747 0.4664 0.0209 0.1415 0.0550 57 LEU C CG 2520 C CD1 . LEU E 49 ? 0.5967 0.3856 0.4586 0.0338 0.1373 0.0569 57 LEU C CD1 2521 C CD2 . LEU E 49 ? 0.5498 0.3652 0.4660 0.0128 0.1265 0.0439 57 LEU C CD2 2522 N N . PRO E 50 ? 0.5717 0.3634 0.5295 -0.0083 0.1919 0.0825 58 PRO C N 2523 C CA . PRO E 50 ? 0.5854 0.3618 0.5578 -0.0176 0.2042 0.0914 58 PRO C CA 2524 C C . PRO E 50 ? 0.6069 0.3984 0.6233 -0.0329 0.2039 0.0831 58 PRO C C 2525 O O . PRO E 50 ? 0.6599 0.4389 0.6935 -0.0418 0.2080 0.0857 58 PRO C O 2526 C CB . PRO E 50 ? 0.5703 0.3420 0.5302 -0.0141 0.2253 0.1062 58 PRO C CB 2527 C CG . PRO E 50 ? 0.6176 0.3929 0.5440 0.0016 0.2207 0.1058 58 PRO C CG 2528 C CD . PRO E 50 ? 0.5758 0.3707 0.5124 0.0017 0.2025 0.0896 58 PRO C CD 2529 N N . LYS E 51 ? 0.5656 0.3834 0.6004 -0.0352 0.1983 0.0724 59 LYS C N 2530 C CA . LYS E 51 ? 0.5847 0.4202 0.6615 -0.0481 0.1981 0.0633 59 LYS C CA 2531 C C . LYS E 51 ? 0.5385 0.3835 0.6281 -0.0504 0.1778 0.0485 59 LYS C C 2532 O O . LYS E 51 ? 0.5547 0.4054 0.6754 -0.0605 0.1754 0.0414 59 LYS C O 2533 C CB . LYS E 51 ? 0.6823 0.5426 0.7742 -0.0490 0.2053 0.0602 59 LYS C CB 2534 C CG . LYS E 51 ? 0.7444 0.6275 0.8792 -0.0601 0.2027 0.0480 59 LYS C CG 2535 C CD . LYS E 51 ? 0.7999 0.7077 0.9460 -0.0585 0.2079 0.0441 59 LYS C CD 2536 C CE . LYS E 51 ? 0.8275 0.7600 1.0157 -0.0679 0.2038 0.0303 59 LYS C CE 2537 N NZ . LYS E 51 ? 0.8569 0.7847 1.0758 -0.0813 0.2148 0.0313 59 LYS C NZ 2538 N N . TYR E 52 ? 0.4749 0.3224 0.5411 -0.0410 0.1634 0.0438 60 TYR C N 2539 C CA . TYR E 52 ? 0.4600 0.3201 0.5360 -0.0424 0.1448 0.0304 60 TYR C CA 2540 C C . TYR E 52 ? 0.4519 0.2949 0.5089 -0.0386 0.1338 0.0294 60 TYR C C 2541 O O . TYR E 52 ? 0.4378 0.2877 0.5080 -0.0422 0.1210 0.0192 60 TYR C O 2542 C CB . TYR E 52 ? 0.4593 0.3374 0.5272 -0.0358 0.1359 0.0247 60 TYR C CB 2543 C CG . TYR E 52 ? 0.4950 0.3945 0.5875 -0.0397 0.1422 0.0214 60 TYR C CG 2544 C CD1 . TYR E 52 ? 0.5221 0.4220 0.6090 -0.0367 0.1568 0.0292 60 TYR C CD1 2545 C CD2 . TYR E 52 ? 0.5284 0.4492 0.6497 -0.0454 0.1335 0.0097 60 TYR C CD2 2546 C CE1 . TYR E 52 ? 0.5550 0.4759 0.6653 -0.0398 0.1623 0.0249 60 TYR C CE1 2547 C CE2 . TYR E 52 ? 0.5507 0.4920 0.6949 -0.0479 0.1385 0.0054 60 TYR C CE2 2548 C CZ . TYR E 52 ? 0.5833 0.5245 0.7225 -0.0453 0.1530 0.0129 60 TYR C CZ 2549 O OH . TYR E 52 ? 0.6210 0.5840 0.7837 -0.0473 0.1577 0.0075 60 TYR C OH 2550 N N . PHE E 53 ? 0.4238 0.2876 0.4342 0.0199 0.1055 0.0776 61 PHE C N 2551 C CA . PHE E 53 ? 0.3944 0.2569 0.4037 0.0316 0.0906 0.0815 61 PHE C CA 2552 C C . PHE E 53 ? 0.4561 0.2981 0.4428 0.0346 0.0899 0.0997 61 PHE C C 2553 O O . PHE E 53 ? 0.4575 0.3022 0.4220 0.0401 0.0821 0.1061 61 PHE C O 2554 C CB . PHE E 53 ? 0.3838 0.2687 0.3863 0.0365 0.0802 0.0730 61 PHE C CB 2555 C CG . PHE E 53 ? 0.3396 0.2445 0.3647 0.0344 0.0801 0.0553 61 PHE C CG 2556 C CD1 . PHE E 53 ? 0.3210 0.2296 0.3712 0.0404 0.0730 0.0476 61 PHE C CD1 2557 C CD2 . PHE E 53 ? 0.3803 0.2992 0.4010 0.0263 0.0878 0.0464 61 PHE C CD2 2558 C CE1 . PHE E 53 ? 0.3527 0.2790 0.4229 0.0385 0.0733 0.0316 61 PHE C CE1 2559 C CE2 . PHE E 53 ? 0.3686 0.3051 0.4097 0.0244 0.0879 0.0305 61 PHE C CE2 2560 C CZ . PHE E 53 ? 0.3198 0.2599 0.3854 0.0305 0.0807 0.0232 61 PHE C CZ 2561 N N . LYS E 54 ? 0.5065 0.3280 0.4991 0.0308 0.0983 0.1079 62 LYS C N 2562 C CA . LYS E 54 ? 0.5671 0.3661 0.5396 0.0323 0.1001 0.1260 62 LYS C CA 2563 C C . LYS E 54 ? 0.5418 0.3390 0.5007 0.0444 0.0852 0.1336 62 LYS C C 2564 O O . LYS E 54 ? 0.5316 0.3327 0.5069 0.0529 0.0744 0.1287 62 LYS C O 2565 C CB . LYS E 54 ? 0.6627 0.4404 0.6519 0.0296 0.1067 0.1316 62 LYS C CB 2566 C CG . LYS E 54 ? 0.7298 0.5089 0.7366 0.0180 0.1206 0.1237 62 LYS C CG 2567 C CD . LYS E 54 ? 0.7695 0.5273 0.7939 0.0162 0.1253 0.1291 62 LYS C CD 2568 C CE . LYS E 54 ? 0.7689 0.5293 0.8130 0.0048 0.1382 0.1204 62 LYS C CE 2569 N NZ . LYS E 54 ? 0.7724 0.5262 0.8328 0.0032 0.1355 0.1183 62 LYS C NZ 2570 N N . HIS E 55 ? 0.5381 0.3298 0.4666 0.0454 0.0848 0.1453 63 HIS C N 2571 C CA . HIS E 55 ? 0.5498 0.3369 0.4625 0.0568 0.0712 0.1551 63 HIS C CA 2572 C C . HIS E 55 ? 0.5628 0.3739 0.4773 0.0638 0.0576 0.1444 63 HIS C C 2573 O O . HIS E 55 ? 0.5689 0.3802 0.4824 0.0746 0.0442 0.1480 63 HIS C O 2574 C CB . HIS E 55 ? 0.5639 0.3319 0.4905 0.0637 0.0666 0.1626 63 HIS C CB 2575 C CG . HIS E 55 ? 0.6027 0.3514 0.5055 0.0701 0.0621 0.1808 63 HIS C CG 2576 N ND1 . HIS E 55 ? 0.6138 0.3425 0.5241 0.0768 0.0581 0.1900 63 HIS C ND1 2577 C CD2 . HIS E 55 ? 0.6622 0.4080 0.5332 0.0712 0.0610 0.1915 63 HIS C CD2 2578 C CE1 . HIS E 55 ? 0.6739 0.3883 0.5582 0.0819 0.0546 0.2059 63 HIS C CE1 2579 N NE2 . HIS E 55 ? 0.7005 0.4250 0.5604 0.0786 0.0562 0.2071 63 HIS C NE2 2580 N N . ASN E 56 ? 0.5759 0.4072 0.4936 0.0575 0.0614 0.1312 64 ASN C N 2581 C CA . ASN E 56 ? 0.5606 0.4154 0.4765 0.0622 0.0503 0.1211 64 ASN C CA 2582 C C . ASN E 56 ? 0.6146 0.4781 0.5034 0.0567 0.0540 0.1216 64 ASN C C 2583 O O . ASN E 56 ? 0.6558 0.5190 0.5415 0.0466 0.0673 0.1189 64 ASN C O 2584 C CB . ASN E 56 ? 0.4881 0.3611 0.4334 0.0601 0.0504 0.1031 64 ASN C CB 2585 C CG . ASN E 56 ? 0.4870 0.3560 0.4586 0.0675 0.0434 0.1004 64 ASN C CG 2586 O OD1 . ASN E 56 ? 0.4784 0.3596 0.4581 0.0763 0.0308 0.0952 64 ASN C OD1 2587 N ND2 . ASN E 56 ? 0.4498 0.3017 0.4351 0.0640 0.0518 0.1035 64 ASN C ND2 2588 N N . ASN E 57 ? 0.5957 0.4671 0.4653 0.0634 0.0424 0.1247 65 ASN C N 2589 C CA . ASN E 57 ? 0.6195 0.5022 0.4653 0.0586 0.0445 0.1224 65 ASN C CA 2590 C C . ASN E 57 ? 0.5562 0.4653 0.4148 0.0584 0.0384 0.1052 65 ASN C C 2591 O O . ASN E 57 ? 0.4858 0.4036 0.3712 0.0621 0.0331 0.0961 65 ASN C O 2592 C CB . ASN E 57 ? 0.6770 0.5526 0.4913 0.0649 0.0360 0.1359 65 ASN C CB 2593 C CG . ASN E 57 ? 0.6818 0.5637 0.5013 0.0772 0.0182 0.1369 65 ASN C CG 2594 O OD1 . ASN E 57 ? 0.6563 0.5509 0.5019 0.0809 0.0118 0.1261 65 ASN C OD1 2595 N ND2 . ASN E 57 ? 0.7234 0.5967 0.5180 0.0839 0.0102 0.1500 65 ASN C ND2 2596 N N . MET E 58 ? 0.5695 0.4906 0.4090 0.0540 0.0396 0.1009 66 MET C N 2597 C CA . MET E 58 ? 0.5662 0.5116 0.4169 0.0524 0.0355 0.0844 66 MET C CA 2598 C C . MET E 58 ? 0.5234 0.4821 0.3864 0.0625 0.0187 0.0798 66 MET C C 2599 O O . MET E 58 ? 0.4400 0.4157 0.3251 0.0625 0.0158 0.0661 66 MET C O 2600 C CB . MET E 58 ? 0.6089 0.5630 0.4332 0.0469 0.0382 0.0822 66 MET C CB 2601 C CG . MET E 58 ? 0.6302 0.5882 0.4582 0.0357 0.0536 0.0734 66 MET C CG 2602 S SD . MET E 58 ? 0.5528 0.5304 0.4169 0.0329 0.0545 0.0537 66 MET C SD 2603 C CE . MET E 58 ? 0.8606 0.8616 0.7197 0.0382 0.0389 0.0441 66 MET C CE 2604 N N . ALA E 59 ? 0.5750 0.5264 0.4240 0.0713 0.0078 0.0914 67 ALA C N 2605 C CA . ALA E 59 ? 0.5511 0.5145 0.4115 0.0817 -0.0085 0.0884 67 ALA C CA 2606 C C . ALA E 59 ? 0.4749 0.4373 0.3684 0.0855 -0.0093 0.0832 67 ALA C C 2607 O O . ALA E 59 ? 0.4706 0.4504 0.3840 0.0892 -0.0170 0.0721 67 ALA C O 2608 C CB . ALA E 59 ? 0.5917 0.5449 0.4302 0.0905 -0.0192 0.1033 67 ALA C CB 2609 N N . SER E 60 ? 0.4426 0.3844 0.3420 0.0844 -0.0012 0.0913 68 SER C N 2610 C CA . SER E 60 ? 0.4526 0.3907 0.3821 0.0879 -0.0014 0.0871 68 SER C CA 2611 C C . SER E 60 ? 0.3824 0.3345 0.3347 0.0807 0.0060 0.0707 68 SER C C 2612 O O . SER E 60 ? 0.3575 0.3199 0.3346 0.0850 0.0008 0.0612 68 SER C O 2613 C CB . SER E 60 ? 0.5159 0.4274 0.4448 0.0872 0.0065 0.0997 68 SER C CB 2614 O OG . SER E 60 ? 0.4986 0.4065 0.4571 0.0888 0.0081 0.0939 68 SER C OG 2615 N N . PHE E 61 ? 0.3704 0.3232 0.3136 0.0701 0.0183 0.0676 69 PHE C N 2616 C CA . PHE E 61 ? 0.3568 0.3229 0.3186 0.0627 0.0260 0.0524 69 PHE C CA 2617 C C . PHE E 61 ? 0.3440 0.3348 0.3142 0.0658 0.0164 0.0394 69 PHE C C 2618 O O . PHE E 61 ? 0.2971 0.2983 0.2927 0.0670 0.0149 0.0281 69 PHE C O 2619 C CB . PHE E 61 ? 0.3685 0.3315 0.3145 0.0515 0.0400 0.0526 69 PHE C CB 2620 C CG . PHE E 61 ? 0.3775 0.3531 0.3415 0.0437 0.0488 0.0378 69 PHE C CG 2621 C CD1 . PHE E 61 ? 0.3513 0.3205 0.3396 0.0409 0.0561 0.0336 69 PHE C CD1 2622 C CD2 . PHE E 61 ? 0.3639 0.3573 0.3203 0.0394 0.0492 0.0278 69 PHE C CD2 2623 C CE1 . PHE E 61 ? 0.3640 0.3449 0.3686 0.0341 0.0638 0.0200 69 PHE C CE1 2624 C CE2 . PHE E 61 ? 0.3594 0.3640 0.3322 0.0326 0.0572 0.0143 69 PHE C CE2 2625 C CZ . PHE E 61 ? 0.3513 0.3498 0.3481 0.0301 0.0644 0.0105 69 PHE C CZ 2626 N N . VAL E 62 ? 0.3642 0.3642 0.3126 0.0670 0.0096 0.0411 70 VAL C N 2627 C CA . VAL E 62 ? 0.3254 0.3489 0.2795 0.0691 0.0005 0.0293 70 VAL C CA 2628 C C . VAL E 62 ? 0.3481 0.3783 0.3212 0.0800 -0.0128 0.0277 70 VAL C C 2629 O O . VAL E 62 ? 0.3371 0.3847 0.3297 0.0813 -0.0169 0.0152 70 VAL C O 2630 C CB . VAL E 62 ? 0.4278 0.4580 0.3526 0.0682 -0.0045 0.0325 70 VAL C CB 2631 C CG1 . VAL E 62 ? 0.4935 0.5475 0.4250 0.0713 -0.0156 0.0212 70 VAL C CG1 2632 C CG2 . VAL E 62 ? 0.4291 0.4553 0.3369 0.0573 0.0092 0.0317 70 VAL C CG2 2633 N N . ARG E 63 ? 0.3812 0.3972 0.3486 0.0879 -0.0192 0.0405 71 ARG C N 2634 C CA . ARG E 63 ? 0.3887 0.4082 0.3741 0.0989 -0.0311 0.0406 71 ARG C CA 2635 C C . ARG E 63 ? 0.3081 0.3290 0.3247 0.0987 -0.0266 0.0309 71 ARG C C 2636 O O . ARG E 63 ? 0.2912 0.3267 0.3272 0.1045 -0.0345 0.0223 71 ARG C O 2637 C CB . ARG E 63 ? 0.4681 0.4677 0.4419 0.1066 -0.0362 0.0571 71 ARG C CB 2638 C CG . ARG E 63 ? 0.5155 0.5160 0.5088 0.1185 -0.0474 0.0579 71 ARG C CG 2639 C CD . ARG E 63 ? 0.5971 0.5750 0.5800 0.1256 -0.0506 0.0744 71 ARG C CD 2640 N NE . ARG E 63 ? 0.6617 0.6329 0.6125 0.1249 -0.0524 0.0861 71 ARG C NE 2641 C CZ . ARG E 63 ? 0.6987 0.6472 0.6315 0.1222 -0.0451 0.0993 71 ARG C CZ 2642 N NH1 . ARG E 63 ? 0.6966 0.6270 0.6412 0.1197 -0.0357 0.1026 71 ARG C NH1 2643 N NH2 . ARG E 63 ? 0.7331 0.6771 0.6359 0.1219 -0.0473 0.1093 71 ARG C NH2 2644 N N . GLN E 64 ? 0.2968 0.3027 0.3181 0.0920 -0.0138 0.0322 72 GLN C N 2645 C CA . GLN E 64 ? 0.2588 0.2648 0.3085 0.0910 -0.0087 0.0229 72 GLN C CA 2646 C C . GLN E 64 ? 0.2248 0.2530 0.2876 0.0864 -0.0070 0.0065 72 GLN C C 2647 O O . GLN E 64 ? 0.2616 0.2995 0.3478 0.0904 -0.0106 -0.0030 72 GLN C O 2648 C CB . GLN E 64 ? 0.3827 0.3687 0.4332 0.0837 0.0050 0.0278 72 GLN C CB 2649 C CG . GLN E 64 ? 0.4651 0.4271 0.5070 0.0884 0.0040 0.0437 72 GLN C CG 2650 C CD . GLN E 64 ? 0.5506 0.5011 0.6167 0.0923 0.0048 0.0427 72 GLN C CD 2651 O OE1 . GLN E 64 ? 0.5483 0.5104 0.6364 0.0970 -0.0004 0.0324 72 GLN C OE1 2652 N NE2 . GLN E 64 ? 0.6453 0.5727 0.7075 0.0903 0.0114 0.0534 72 GLN C NE2 2653 N N . LEU E 65 ? 0.2368 0.2726 0.2842 0.0781 -0.0012 0.0030 73 LEU C N 2654 C CA . LEU E 65 ? 0.2113 0.2678 0.2692 0.0735 0.0004 -0.0122 73 LEU C CA 2655 C C . LEU E 65 ? 0.1909 0.2659 0.2577 0.0816 -0.0132 -0.0182 73 LEU C C 2656 O O . LEU E 65 ? 0.1909 0.2790 0.2796 0.0826 -0.0144 -0.0300 73 LEU C O 2657 C CB . LEU E 65 ? 0.1968 0.2580 0.2332 0.0644 0.0072 -0.0137 73 LEU C CB 2658 C CG . LEU E 65 ? 0.2161 0.2629 0.2452 0.0549 0.0223 -0.0103 73 LEU C CG 2659 C CD1 . LEU E 65 ? 0.2727 0.3261 0.2796 0.0473 0.0276 -0.0122 73 LEU C CD1 2660 C CD2 . LEU E 65 ? 0.2062 0.2537 0.2611 0.0509 0.0309 -0.0202 73 LEU C CD2 2661 N N . ASN E 66 ? 0.2337 0.3099 0.2837 0.0874 -0.0236 -0.0098 74 ASN C N 2662 C CA . ASN E 66 ? 0.2547 0.3493 0.3118 0.0949 -0.0371 -0.0147 74 ASN C CA 2663 C C . ASN E 66 ? 0.2942 0.3888 0.3770 0.1040 -0.0428 -0.0166 74 ASN C C 2664 O O . ASN E 66 ? 0.2761 0.3875 0.3761 0.1066 -0.0479 -0.0267 74 ASN C O 2665 C CB . ASN E 66 ? 0.2922 0.3865 0.3251 0.0995 -0.0471 -0.0043 74 ASN C CB 2666 C CG . ASN E 66 ? 0.3545 0.4701 0.3935 0.1060 -0.0609 -0.0100 74 ASN C CG 2667 O OD1 . ASN E 66 ? 0.3541 0.4875 0.3942 0.1014 -0.0614 -0.0207 74 ASN C OD1 2668 N ND2 . ASN E 66 ? 0.3496 0.4634 0.3931 0.1168 -0.0721 -0.0029 74 ASN C ND2 2669 N N . MET E 67 ? 0.3074 0.3818 0.3922 0.1079 -0.0409 -0.0068 75 MET C N 2670 C CA . MET E 67 ? 0.3537 0.4249 0.4616 0.1168 -0.0457 -0.0077 75 MET C CA 2671 C C . MET E 67 ? 0.3085 0.3833 0.4344 0.1060 -0.0361 -0.0187 75 MET C C 2672 O O . MET E 67 ? 0.3076 0.3808 0.4388 0.1014 -0.0354 -0.0181 75 MET C O 2673 C CB . MET E 67 ? 0.4025 0.4478 0.5067 0.1195 -0.0425 0.0050 75 MET C CB 2674 C CG . MET E 67 ? 0.4470 0.4862 0.5744 0.1262 -0.0447 0.0038 75 MET C CG 2675 S SD . MET E 67 ? 0.6239 0.6334 0.7462 0.1332 -0.0453 0.0199 75 MET C SD 2676 C CE . MET E 67 ? 0.3059 0.2982 0.4225 0.1199 -0.0282 0.0213 75 MET C CE 2677 N N . TYR E 68 ? 0.2573 0.3338 0.3838 0.0983 -0.0262 -0.0258 76 TYR C N 2678 C CA . TYR E 68 ? 0.2363 0.3084 0.3657 0.0837 -0.0158 -0.0307 76 TYR C CA 2679 C C . TYR E 68 ? 0.2027 0.2856 0.3234 0.0729 -0.0154 -0.0378 76 TYR C C 2680 O O . TYR E 68 ? 0.2638 0.3407 0.3791 0.0612 -0.0094 -0.0404 76 TYR C O 2681 C CB . TYR E 68 ? 0.2064 0.2672 0.3389 0.0798 -0.0049 -0.0315 76 TYR C CB 2682 C CG . TYR E 68 ? 0.2431 0.2865 0.3827 0.0867 -0.0047 -0.0243 76 TYR C CG 2683 C CD1 . TYR E 68 ? 0.2785 0.3159 0.4165 0.0840 -0.0052 -0.0227 76 TYR C CD1 2684 C CD2 . TYR E 68 ? 0.3119 0.3410 0.4534 0.0933 -0.0034 -0.0169 76 TYR C CD2 2685 C CE1 . TYR E 68 ? 0.2886 0.3100 0.4306 0.0895 -0.0056 -0.0171 76 TYR C CE1 2686 C CE2 . TYR E 68 ? 0.3250 0.3333 0.4712 0.0974 -0.0029 -0.0079 76 TYR C CE2 2687 C CZ . TYR E 68 ? 0.3129 0.3192 0.4606 0.0966 -0.0050 -0.0102 76 TYR C CZ 2688 O OH . TYR E 68 ? 0.3870 0.3739 0.5367 0.1000 -0.0052 -0.0031 76 TYR C OH 2689 N N . GLY E 69 ? 0.2245 0.2413 0.2901 0.0288 0.0037 -0.0282 77 GLY C N 2690 C CA . GLY E 69 ? 0.2490 0.2712 0.3028 0.0217 -0.0030 -0.0375 77 GLY C CA 2691 C C . GLY E 69 ? 0.2437 0.2591 0.2814 0.0203 -0.0029 -0.0345 77 GLY C C 2692 O O . GLY E 69 ? 0.2593 0.2771 0.2897 0.0119 -0.0078 -0.0421 77 GLY C O 2693 N N . PHE E 70 ? 0.2406 0.2471 0.2733 0.0278 0.0027 -0.0241 78 PHE C N 2694 C CA . PHE E 70 ? 0.2341 0.2348 0.2529 0.0276 0.0031 -0.0222 78 PHE C CA 2695 C C . PHE E 70 ? 0.3007 0.3067 0.3020 0.0321 -0.0033 -0.0249 78 PHE C C 2696 O O . PHE E 70 ? 0.3300 0.3404 0.3272 0.0397 -0.0061 -0.0232 78 PHE C O 2697 C CB . PHE E 70 ? 0.2374 0.2278 0.2552 0.0345 0.0118 -0.0115 78 PHE C CB 2698 C CG . PHE E 70 ? 0.2403 0.2241 0.2737 0.0291 0.0182 -0.0093 78 PHE C CG 2699 C CD1 . PHE E 70 ? 0.2543 0.2386 0.3035 0.0287 0.0218 -0.0075 78 PHE C CD1 2700 C CD2 . PHE E 70 ? 0.2554 0.2323 0.2890 0.0246 0.0205 -0.0092 78 PHE C CD2 2701 C CE1 . PHE E 70 ? 0.2472 0.2254 0.3106 0.0234 0.0277 -0.0055 78 PHE C CE1 2702 C CE2 . PHE E 70 ? 0.2347 0.2051 0.2833 0.0195 0.0256 -0.0072 78 PHE C CE2 2703 C CZ . PHE E 70 ? 0.2366 0.2077 0.2993 0.0189 0.0294 -0.0052 78 PHE C CZ 2704 N N . ARG E 71 ? 0.2535 0.2587 0.2450 0.0273 -0.0062 -0.0291 79 ARG C N 2705 C CA . ARG E 71 ? 0.2809 0.2906 0.2550 0.0310 -0.0117 -0.0320 79 ARG C CA 2706 C C . ARG E 71 ? 0.3295 0.3318 0.2929 0.0349 -0.0070 -0.0269 79 ARG C C 2707 O O . ARG E 71 ? 0.2885 0.2828 0.2596 0.0328 -0.0007 -0.0233 79 ARG C O 2708 C CB . ARG E 71 ? 0.2874 0.3037 0.2591 0.0213 -0.0196 -0.0431 79 ARG C CB 2709 C CG . ARG E 71 ? 0.3088 0.3328 0.2913 0.0150 -0.0234 -0.0505 79 ARG C CG 2710 C CD . ARG E 71 ? 0.4367 0.4691 0.4168 0.0230 -0.0270 -0.0517 79 ARG C CD 2711 N NE . ARG E 71 ? 0.5308 0.5719 0.5224 0.0160 -0.0306 -0.0615 79 ARG C NE 2712 C CZ . ARG E 71 ? 0.5847 0.6289 0.5922 0.0180 -0.0285 -0.0614 79 ARG C CZ 2713 N NH1 . ARG E 71 ? 0.6112 0.6498 0.6238 0.0273 -0.0236 -0.0509 79 ARG C NH1 2714 N NH2 . ARG E 71 ? 0.5892 0.6418 0.6078 0.0103 -0.0311 -0.0723 79 ARG C NH2 2715 N N . LYS E 72 ? 0.3207 0.3262 0.2672 0.0400 -0.0101 -0.0275 80 LYS C N 2716 C CA . LYS E 72 ? 0.2725 0.2723 0.2073 0.0431 -0.0054 -0.0245 80 LYS C CA 2717 C C . LYS E 72 ? 0.2873 0.2907 0.2168 0.0370 -0.0110 -0.0332 80 LYS C C 2718 O O . LYS E 72 ? 0.3149 0.3264 0.2401 0.0344 -0.0191 -0.0399 80 LYS C O 2719 C CB . LYS E 72 ? 0.3303 0.3301 0.2481 0.0525 -0.0044 -0.0184 80 LYS C CB 2720 C CG . LYS E 72 ? 0.4223 0.4157 0.3267 0.0554 0.0026 -0.0148 80 LYS C CG 2721 C CD . LYS E 72 ? 0.4808 0.4720 0.3676 0.0636 0.0037 -0.0070 80 LYS C CD 2722 C CE . LYS E 72 ? 0.5397 0.5400 0.4147 0.0662 -0.0070 -0.0107 80 LYS C CE 2723 N NZ . LYS E 72 ? 0.5824 0.5793 0.4370 0.0732 -0.0074 -0.0031 80 LYS C NZ 2724 N N . VAL E 73 ? 0.2674 0.2647 0.1986 0.0345 -0.0068 -0.0336 81 VAL C N 2725 C CA . VAL E 73 ? 0.2631 0.2627 0.1910 0.0288 -0.0125 -0.0416 81 VAL C CA 2726 C C . VAL E 73 ? 0.2997 0.2994 0.2122 0.0343 -0.0092 -0.0414 81 VAL C C 2727 O O . VAL E 73 ? 0.3369 0.3299 0.2495 0.0375 -0.0002 -0.0369 81 VAL C O 2728 C CB . VAL E 73 ? 0.2531 0.2456 0.1971 0.0208 -0.0122 -0.0436 81 VAL C CB 2729 C CG1 . VAL E 73 ? 0.3363 0.3307 0.2777 0.0145 -0.0199 -0.0518 81 VAL C CG1 2730 C CG2 . VAL E 73 ? 0.2420 0.2335 0.1996 0.0147 -0.0144 -0.0431 81 VAL C CG2 2731 N N . VAL E 74 ? 0.2927 0.3002 0.1919 0.0347 -0.0160 -0.0468 82 VAL C N 2732 C CA . VAL E 74 ? 0.2985 0.3069 0.1810 0.0396 -0.0129 -0.0469 82 VAL C CA 2733 C C . VAL E 74 ? 0.3010 0.3139 0.1791 0.0352 -0.0186 -0.0560 82 VAL C C 2734 O O . VAL E 74 ? 0.3092 0.3262 0.1926 0.0292 -0.0270 -0.0620 82 VAL C O 2735 C CB . VAL E 74 ? 0.3522 0.3653 0.2180 0.0469 -0.0149 -0.0428 82 VAL C CB 2736 C CG1 . VAL E 74 ? 0.3739 0.3816 0.2441 0.0516 -0.0099 -0.0332 82 VAL C CG1 2737 C CG2 . VAL E 74 ? 0.3440 0.3671 0.2073 0.0453 -0.0259 -0.0492 82 VAL C CG2 2738 N N . HIS E 75 ? 0.3252 0.3373 0.1933 0.0376 -0.0137 -0.0572 83 HIS C N 2739 C CA . HIS E 75 ? 0.3274 0.3441 0.1912 0.0342 -0.0185 -0.0660 83 HIS C CA 2740 C C . HIS E 75 ? 0.3633 0.3898 0.2124 0.0357 -0.0274 -0.0696 83 HIS C C 2741 O O . HIS E 75 ? 0.3741 0.4036 0.2110 0.0416 -0.0277 -0.0650 83 HIS C O 2742 C CB . HIS E 75 ? 0.3561 0.3700 0.2132 0.0361 -0.0098 -0.0673 83 HIS C CB 2743 C CG . HIS E 75 ? 0.4197 0.4250 0.2949 0.0333 -0.0019 -0.0669 83 HIS C CG 2744 N ND1 . HIS E 75 ? 0.4479 0.4516 0.3367 0.0281 -0.0033 -0.0745 83 HIS C ND1 2745 C CD2 . HIS E 75 ? 0.4176 0.4151 0.3013 0.0350 0.0071 -0.0603 83 HIS C CD2 2746 C CE1 . HIS E 75 ? 0.4500 0.4457 0.3558 0.0269 0.0042 -0.0728 83 HIS C CE1 2747 N NE2 . HIS E 75 ? 0.4404 0.4322 0.3429 0.0310 0.0111 -0.0644 83 HIS C NE2 2748 N N . ILE E 76 ? 0.3088 0.3400 0.1598 0.0301 -0.0352 -0.0780 84 ILE C N 2749 C CA . ILE E 76 ? 0.2926 0.3335 0.1310 0.0306 -0.0437 -0.0831 84 ILE C CA 2750 C C . ILE E 76 ? 0.3258 0.3690 0.1489 0.0352 -0.0400 -0.0812 84 ILE C C 2751 O O . ILE E 76 ? 0.3638 0.4101 0.1796 0.0380 -0.0419 -0.0769 84 ILE C O 2752 C CB . ILE E 76 ? 0.3079 0.3464 0.1615 0.0191 -0.0484 -0.0852 84 ILE C CB 2753 C CG1 . ILE E 76 ? 0.3114 0.3468 0.1784 0.0126 -0.0522 -0.0848 84 ILE C CG1 2754 C CG2 . ILE E 76 ? 0.3200 0.3605 0.1715 0.0161 -0.0503 -0.0826 84 ILE C CG2 2755 C CD1 . ILE E 76 ? 0.2696 0.2982 0.1481 0.0008 -0.0556 -0.0843 84 ILE C CD1 2756 N N . GLU E 77 ? 0.3137 0.3550 0.1327 0.0355 -0.0349 -0.0852 85 GLU C N 2757 C CA . GLU E 77 ? 0.3543 0.3968 0.1587 0.0378 -0.0304 -0.0843 85 GLU C CA 2758 C C . GLU E 77 ? 0.3791 0.4161 0.1736 0.0428 -0.0194 -0.0801 85 GLU C C 2759 O O . GLU E 77 ? 0.4202 0.4500 0.2295 0.0404 -0.0120 -0.0792 85 GLU C O 2760 C CB . GLU E 77 ? 0.3568 0.3995 0.1683 0.0316 -0.0307 -0.0902 85 GLU C CB 2761 C CG . GLU E 77 ? 0.4138 0.4570 0.2358 0.0246 -0.0381 -0.0889 85 GLU C CG 2762 C CD . GLU E 77 ? 0.4739 0.5160 0.3007 0.0199 -0.0381 -0.0936 85 GLU C CD 2763 O OE1 . GLU E 77 ? 0.4908 0.5335 0.3115 0.0221 -0.0322 -0.0984 85 GLU C OE1 2764 O OE2 . GLU E 77 ? 0.4998 0.5398 0.3362 0.0138 -0.0433 -0.0924 85 GLU C OE2 2765 N N . GLN E 78 ? 0.3627 0.4009 0.1360 0.0478 -0.0178 -0.0755 86 GLN C N 2766 C CA . GLN E 78 ? 0.3820 0.4133 0.1439 0.0494 -0.0062 -0.0707 86 GLN C CA 2767 C C . GLN E 78 ? 0.4912 0.5233 0.2531 0.0452 0.0003 -0.0794 86 GLN C C 2768 O O . GLN E 78 ? 0.4748 0.5139 0.2359 0.0428 -0.0056 -0.0871 86 GLN C O 2769 C CB . GLN E 78 ? 0.4954 0.5275 0.2318 0.0544 -0.0084 -0.0640 86 GLN C CB 2770 C CG . GLN E 78 ? 0.5239 0.5563 0.2629 0.0589 -0.0164 -0.0567 86 GLN C CG 2771 C CD . GLN E 78 ? 0.5630 0.5954 0.2792 0.0637 -0.0209 -0.0499 86 GLN C CD 2772 O OE1 . GLN E 78 ? 0.5771 0.6069 0.2773 0.0616 -0.0168 -0.0485 86 GLN C OE1 2773 N NE2 . GLN E 78 ? 0.6290 0.6631 0.3488 0.0682 -0.0295 -0.0450 86 GLN C NE2 2774 N N . GLY E 79 ? 0.4644 0.4889 0.2300 0.0436 0.0130 -0.0783 87 GLY C N 2775 C CA . GLY E 79 ? 0.4857 0.5109 0.2546 0.0393 0.0205 -0.0877 87 GLY C CA 2776 C C . GLY E 79 ? 0.4797 0.4959 0.2526 0.0374 0.0358 -0.0860 87 GLY C C 2777 O O . GLY E 79 ? 0.4462 0.4552 0.2244 0.0391 0.0398 -0.0778 87 GLY C O 2778 N N . GLY E 80 ? 0.5088 0.5258 0.2800 0.0335 0.0448 -0.0945 88 GLY C N 2779 C CA . GLY E 80 ? 0.5252 0.5342 0.3000 0.0306 0.0609 -0.0952 88 GLY C CA 2780 C C . GLY E 80 ? 0.4859 0.4886 0.2912 0.0297 0.0645 -0.0946 88 GLY C C 2781 O O . GLY E 80 ? 0.4733 0.4679 0.2794 0.0292 0.0758 -0.0901 88 GLY C O 2782 N N . LEU E 81 ? 0.3962 0.4018 0.2256 0.0289 0.0546 -0.0990 89 LEU C N 2783 C CA . LEU E 81 ? 0.3822 0.3814 0.2418 0.0273 0.0567 -0.0992 89 LEU C CA 2784 C C . LEU E 81 ? 0.3897 0.3847 0.2523 0.0305 0.0514 -0.0881 89 LEU C C 2785 O O . LEU E 81 ? 0.3934 0.3830 0.2798 0.0292 0.0519 -0.0872 89 LEU C O 2786 C CB . LEU E 81 ? 0.4119 0.4142 0.2966 0.0238 0.0481 -0.1088 89 LEU C CB 2787 C CG . LEU E 81 ? 0.4452 0.4494 0.3390 0.0200 0.0562 -0.1212 89 LEU C CG 2788 C CD1 . LEU E 81 ? 0.4878 0.4951 0.4040 0.0168 0.0446 -0.1298 89 LEU C CD1 2789 C CD2 . LEU E 81 ? 0.3958 0.3926 0.3056 0.0179 0.0720 -0.1237 89 LEU C CD2 2790 N N . VAL E 82 ? 0.3796 0.3770 0.2192 0.0346 0.0463 -0.0800 90 VAL C N 2791 C CA . VAL E 82 ? 0.3731 0.3669 0.2153 0.0377 0.0425 -0.0699 90 VAL C CA 2792 C C . VAL E 82 ? 0.3903 0.3759 0.2223 0.0399 0.0546 -0.0614 90 VAL C C 2793 O O . VAL E 82 ? 0.4112 0.3960 0.2183 0.0411 0.0596 -0.0585 90 VAL C O 2794 C CB . VAL E 82 ? 0.3971 0.3978 0.2240 0.0410 0.0297 -0.0660 90 VAL C CB 2795 C CG1 . VAL E 82 ? 0.3937 0.3909 0.2264 0.0438 0.0266 -0.0566 90 VAL C CG1 2796 C CG2 . VAL E 82 ? 0.4042 0.4125 0.2392 0.0380 0.0181 -0.0744 90 VAL C CG2 2797 N N . LYS E 83 ? 0.3825 0.3613 0.2330 0.0398 0.0588 -0.0571 91 LYS C N 2798 C CA . LYS E 83 ? 0.3978 0.3680 0.2403 0.0416 0.0701 -0.0486 91 LYS C CA 2799 C C . LYS E 83 ? 0.4057 0.3760 0.2281 0.0466 0.0639 -0.0378 91 LYS C C 2800 O O . LYS E 83 ? 0.4092 0.3844 0.2371 0.0487 0.0521 -0.0359 91 LYS C O 2801 C CB . LYS E 83 ? 0.3997 0.3633 0.2689 0.0405 0.0751 -0.0469 91 LYS C CB 2802 C CG . LYS E 83 ? 0.3925 0.3528 0.2816 0.0360 0.0851 -0.0561 91 LYS C CG 2803 C CD . LYS E 83 ? 0.4074 0.3611 0.3229 0.0354 0.0882 -0.0534 91 LYS C CD 2804 C CE . LYS E 83 ? 0.4458 0.3956 0.3839 0.0313 0.0985 -0.0626 91 LYS C CE 2805 N NZ . LYS E 83 ? 0.4758 0.4183 0.4372 0.0312 0.1027 -0.0590 91 LYS C NZ 2806 N N . PRO E 84 ? 0.4298 0.3943 0.2294 0.0479 0.0716 -0.0312 92 PRO C N 2807 C CA . PRO E 84 ? 0.4740 0.4364 0.2573 0.0528 0.0656 -0.0198 92 PRO C CA 2808 C C . PRO E 84 ? 0.4665 0.4253 0.2697 0.0552 0.0641 -0.0133 92 PRO C C 2809 O O . PRO E 84 ? 0.4578 0.4116 0.2805 0.0530 0.0724 -0.0146 92 PRO C O 2810 C CB . PRO E 84 ? 0.5189 0.4722 0.2766 0.0516 0.0766 -0.0141 92 PRO C CB 2811 C CG . PRO E 84 ? 0.5430 0.4934 0.3083 0.0456 0.0910 -0.0231 92 PRO C CG 2812 C CD . PRO E 84 ? 0.4736 0.4334 0.2597 0.0439 0.0853 -0.0348 92 PRO C CD 2813 N N . GLU E 85 ? 0.4543 0.4160 0.2540 0.0597 0.0534 -0.0070 93 GLU C N 2814 C CA . GLU E 85 ? 0.4776 0.4371 0.2958 0.0618 0.0513 -0.0014 93 GLU C CA 2815 C C . GLU E 85 ? 0.4763 0.4242 0.2969 0.0619 0.0640 0.0061 93 GLU C C 2816 O O . GLU E 85 ? 0.4758 0.4210 0.3183 0.0613 0.0671 0.0071 93 GLU C O 2817 C CB . GLU E 85 ? 0.5711 0.5350 0.3822 0.0667 0.0391 0.0042 93 GLU C CB 2818 C CG . GLU E 85 ? 0.6828 0.6472 0.5157 0.0680 0.0355 0.0073 93 GLU C CG 2819 C CD . GLU E 85 ? 0.7696 0.7411 0.6013 0.0719 0.0227 0.0088 93 GLU C CD 2820 O OE1 . GLU E 85 ? 0.7746 0.7545 0.5981 0.0717 0.0140 0.0027 93 GLU C OE1 2821 O OE2 . GLU E 85 ? 0.8289 0.7976 0.6693 0.0750 0.0214 0.0156 93 GLU C OE2 2822 N N . ARG E 86 ? 0.4707 0.4114 0.2677 0.0619 0.0714 0.0110 94 ARG C N 2823 C CA . ARG E 86 ? 0.5293 0.4581 0.3244 0.0610 0.0844 0.0179 94 ARG C CA 2824 C C . ARG E 86 ? 0.4987 0.4251 0.3167 0.0567 0.0960 0.0108 94 ARG C C 2825 O O . ARG E 86 ? 0.5075 0.4265 0.3373 0.0566 0.1042 0.0152 94 ARG C O 2826 C CB . ARG E 86 ? 0.6340 0.5553 0.3968 0.0592 0.0910 0.0221 94 ARG C CB 2827 C CG . ARG E 86 ? 0.7556 0.6795 0.5111 0.0536 0.0986 0.0113 94 ARG C CG 2828 C CD . ARG E 86 ? 0.8650 0.7803 0.5873 0.0497 0.1073 0.0149 94 ARG C CD 2829 N NE . ARG E 86 ? 0.9205 0.8406 0.6355 0.0443 0.1127 0.0033 94 ARG C NE 2830 C CZ . ARG E 86 ? 0.9889 0.9027 0.6787 0.0383 0.1235 0.0021 94 ARG C CZ 2831 N NH1 . ARG E 86 ? 1.0319 0.9331 0.6990 0.0365 0.1297 0.0126 94 ARG C NH1 2832 N NH2 . ARG E 86 ? 0.9947 0.9144 0.6816 0.0333 0.1282 -0.0099 94 ARG C NH2 2833 N N . ASP E 87 ? 0.4541 0.3866 0.2792 0.0531 0.0962 -0.0006 95 ASP C N 2834 C CA . ASP E 87 ? 0.4335 0.3640 0.2819 0.0488 0.1058 -0.0086 95 ASP C CA 2835 C C . ASP E 87 ? 0.4004 0.3348 0.2791 0.0488 0.0982 -0.0115 95 ASP C C 2836 O O . ASP E 87 ? 0.3919 0.3216 0.2928 0.0467 0.1052 -0.0136 95 ASP C O 2837 C CB . ASP E 87 ? 0.4687 0.4034 0.3129 0.0445 0.1094 -0.0200 95 ASP C CB 2838 C CG . ASP E 87 ? 0.5575 0.4873 0.3717 0.0423 0.1192 -0.0185 95 ASP C CG 2839 O OD1 . ASP E 87 ? 0.6167 0.5373 0.4171 0.0427 0.1267 -0.0095 95 ASP C OD1 2840 O OD2 . ASP E 87 ? 0.5772 0.5121 0.3811 0.0394 0.1195 -0.0266 95 ASP C OD2 2841 N N . ASP E 88 ? 0.3868 0.3294 0.2658 0.0505 0.0838 -0.0122 96 ASP C N 2842 C CA . ASP E 88 ? 0.3618 0.3080 0.2656 0.0488 0.0753 -0.0155 96 ASP C CA 2843 C C . ASP E 88 ? 0.3532 0.3067 0.2510 0.0512 0.0616 -0.0127 96 ASP C C 2844 O O . ASP E 88 ? 0.3585 0.3190 0.2426 0.0516 0.0538 -0.0165 96 ASP C O 2845 C CB . ASP E 88 ? 0.4015 0.3511 0.3195 0.0439 0.0732 -0.0269 96 ASP C CB 2846 C CG . ASP E 88 ? 0.4231 0.3752 0.3641 0.0406 0.0627 -0.0301 96 ASP C CG 2847 O OD1 . ASP E 88 ? 0.3823 0.3339 0.3294 0.0415 0.0583 -0.0244 96 ASP C OD1 2848 O OD2 . ASP E 88 ? 0.4744 0.4284 0.4274 0.0364 0.0585 -0.0387 96 ASP C OD2 2849 N N . THR E 89 ? 0.3439 0.2958 0.2528 0.0526 0.0592 -0.0068 97 THR C N 2850 C CA . THR E 89 ? 0.3327 0.2919 0.2423 0.0534 0.0468 -0.0065 97 THR C CA 2851 C C . THR E 89 ? 0.3372 0.2971 0.2710 0.0485 0.0426 -0.0097 97 THR C C 2852 O O . THR E 89 ? 0.3186 0.2719 0.2679 0.0472 0.0494 -0.0070 97 THR C O 2853 C CB . THR E 89 ? 0.3621 0.3199 0.2626 0.0591 0.0461 0.0031 97 THR C CB 2854 O OG1 . THR E 89 ? 0.4315 0.3866 0.3076 0.0629 0.0493 0.0075 97 THR C OG1 2855 C CG2 . THR E 89 ? 0.4043 0.3710 0.3072 0.0595 0.0336 0.0012 97 THR C CG2 2856 N N . GLU E 90 ? 0.3117 0.2791 0.2478 0.0451 0.0313 -0.0154 98 GLU C N 2857 C CA . GLU E 90 ? 0.2808 0.2482 0.2365 0.0385 0.0261 -0.0188 98 GLU C CA 2858 C C . GLU E 90 ? 0.2937 0.2663 0.2515 0.0382 0.0196 -0.0172 98 GLU C C 2859 O O . GLU E 90 ? 0.2778 0.2579 0.2237 0.0400 0.0128 -0.0194 98 GLU C O 2860 C CB . GLU E 90 ? 0.2749 0.2452 0.2334 0.0322 0.0185 -0.0278 98 GLU C CB 2861 C CG . GLU E 90 ? 0.3062 0.2745 0.2830 0.0238 0.0122 -0.0310 98 GLU C CG 2862 C CD . GLU E 90 ? 0.3895 0.3590 0.3684 0.0173 0.0036 -0.0392 98 GLU C CD 2863 O OE1 . GLU E 90 ? 0.4220 0.3938 0.3913 0.0198 0.0046 -0.0427 98 GLU C OE1 2864 O OE2 . GLU E 90 ? 0.4444 0.4122 0.4338 0.0090 -0.0042 -0.0421 98 GLU C OE2 2865 N N . PHE E 91 ? 0.2723 0.2410 0.2462 0.0359 0.0222 -0.0141 99 PHE C N 2866 C CA . PHE E 91 ? 0.2573 0.2308 0.2369 0.0347 0.0176 -0.0135 99 PHE C CA 2867 C C . PHE E 91 ? 0.2527 0.2259 0.2476 0.0244 0.0126 -0.0187 99 PHE C C 2868 O O . PHE E 91 ? 0.2564 0.2231 0.2612 0.0199 0.0144 -0.0194 99 PHE C O 2869 C CB . PHE E 91 ? 0.2626 0.2317 0.2473 0.0405 0.0254 -0.0047 99 PHE C CB 2870 C CG . PHE E 91 ? 0.2807 0.2482 0.2489 0.0496 0.0294 0.0019 99 PHE C CG 2871 C CD1 . PHE E 91 ? 0.3293 0.3034 0.2861 0.0540 0.0228 0.0023 99 PHE C CD1 2872 C CD2 . PHE E 91 ? 0.3638 0.3226 0.3285 0.0531 0.0398 0.0078 99 PHE C CD2 2873 C CE1 . PHE E 91 ? 0.3552 0.3263 0.2955 0.0616 0.0252 0.0093 99 PHE C CE1 2874 C CE2 . PHE E 91 ? 0.3737 0.3294 0.3208 0.0599 0.0435 0.0145 99 PHE C CE2 2875 C CZ . PHE E 91 ? 0.3615 0.3229 0.2957 0.0641 0.0355 0.0158 99 PHE C CZ 2876 N N . GLN E 92 ? 0.2342 0.2139 0.2315 0.0201 0.0062 -0.0225 100 GLN C N 2877 C CA . GLN E 92 ? 0.2218 0.2002 0.2315 0.0087 0.0019 -0.0271 100 GLN C CA 2878 C C . GLN E 92 ? 0.2535 0.2382 0.2692 0.0046 -0.0007 -0.0300 100 GLN C C 2879 O O . GLN E 92 ? 0.2558 0.2481 0.2655 0.0095 -0.0025 -0.0312 100 GLN C O 2880 C CB . GLN E 92 ? 0.2523 0.2314 0.2562 0.0010 -0.0068 -0.0345 100 GLN C CB 2881 C CG . GLN E 92 ? 0.2525 0.2412 0.2438 -0.0001 -0.0143 -0.0410 100 GLN C CG 2882 C CD . GLN E 92 ? 0.2760 0.2645 0.2617 -0.0083 -0.0228 -0.0480 100 GLN C CD 2883 O OE1 . GLN E 92 ? 0.2406 0.2221 0.2298 -0.0099 -0.0229 -0.0473 100 GLN C OE1 2884 N NE2 . GLN E 92 ? 0.2857 0.2816 0.2639 -0.0137 -0.0301 -0.0552 100 GLN C NE2 2885 N N . HIS E 93 ? 0.1858 0.2701 0.2660 -0.0259 0.0349 -0.0120 101 HIS C N 2886 C CA . HIS E 93 ? 0.1936 0.2807 0.2719 -0.0260 0.0400 -0.0175 101 HIS C CA 2887 C C . HIS E 93 ? 0.2142 0.2819 0.2674 -0.0273 0.0420 -0.0175 101 HIS C C 2888 O O . HIS E 93 ? 0.2181 0.2735 0.2626 -0.0232 0.0352 -0.0135 101 HIS C O 2889 C CB . HIS E 93 ? 0.1842 0.2797 0.2784 -0.0188 0.0344 -0.0199 101 HIS C CB 2890 C CG . HIS E 93 ? 0.2068 0.3072 0.3030 -0.0189 0.0409 -0.0269 101 HIS C CG 2891 N ND1 . HIS E 93 ? 0.2426 0.3304 0.3195 -0.0210 0.0455 -0.0303 101 HIS C ND1 2892 C CD2 . HIS E 93 ? 0.2382 0.3551 0.3540 -0.0175 0.0440 -0.0314 101 HIS C CD2 2893 C CE1 . HIS E 93 ? 0.2686 0.3647 0.3527 -0.0215 0.0522 -0.0376 101 HIS C CE1 2894 N NE2 . HIS E 93 ? 0.2520 0.3662 0.3610 -0.0186 0.0514 -0.0385 101 HIS C NE2 2895 N N . PRO E 94 ? 0.2286 0.2939 0.2700 -0.0335 0.0512 -0.0219 102 PRO C N 2896 C CA . PRO E 94 ? 0.2806 0.3254 0.2950 -0.0362 0.0525 -0.0208 102 PRO C CA 2897 C C . PRO E 94 ? 0.3494 0.3859 0.3573 -0.0305 0.0456 -0.0206 102 PRO C C 2898 O O . PRO E 94 ? 0.2745 0.2934 0.2608 -0.0315 0.0429 -0.0171 102 PRO C O 2899 C CB . PRO E 94 ? 0.3097 0.3567 0.3149 -0.0451 0.0645 -0.0272 102 PRO C CB 2900 C CG . PRO E 94 ? 0.2902 0.3612 0.3212 -0.0448 0.0685 -0.0325 102 PRO C CG 2901 C CD . PRO E 94 ? 0.2401 0.3208 0.2907 -0.0394 0.0606 -0.0275 102 PRO C CD 2902 N N . CYS E 95 ? 0.2443 0.2923 0.2697 -0.0250 0.0422 -0.0240 103 CYS C N 2903 C CA . CYS E 95 ? 0.2506 0.2907 0.2690 -0.0208 0.0360 -0.0242 103 CYS C CA 2904 C C . CYS E 95 ? 0.2353 0.2783 0.2665 -0.0133 0.0251 -0.0199 103 CYS C C 2905 O O . CYS E 95 ? 0.2364 0.2772 0.2672 -0.0096 0.0198 -0.0210 103 CYS C O 2906 C CB . CYS E 95 ? 0.2537 0.3005 0.2777 -0.0213 0.0416 -0.0327 103 CYS C CB 2907 S SG . CYS E 95 ? 0.3900 0.4330 0.3966 -0.0317 0.0554 -0.0396 103 CYS C SG 2908 N N . PHE E 96 ? 0.2224 0.2701 0.2638 -0.0121 0.0224 -0.0155 104 PHE C N 2909 C CA . PHE E 96 ? 0.2090 0.2593 0.2614 -0.0066 0.0128 -0.0116 104 PHE C CA 2910 C C . PHE E 96 ? 0.2236 0.2621 0.2645 -0.0063 0.0092 -0.0057 104 PHE C C 2911 O O . PHE E 96 ? 0.2107 0.2505 0.2555 -0.0085 0.0115 -0.0033 104 PHE C O 2912 C CB . PHE E 96 ? 0.1893 0.2553 0.2642 -0.0060 0.0125 -0.0118 104 PHE C CB 2913 C CG . PHE E 96 ? 0.1817 0.2513 0.2681 -0.0016 0.0034 -0.0093 104 PHE C CG 2914 C CD1 . PHE E 96 ? 0.1881 0.2609 0.2819 0.0024 -0.0013 -0.0117 104 PHE C CD1 2915 C CD2 . PHE E 96 ? 0.1697 0.2390 0.2590 -0.0022 0.0003 -0.0052 104 PHE C CD2 2916 C CE1 . PHE E 96 ? 0.1904 0.2660 0.2933 0.0052 -0.0094 -0.0097 104 PHE C CE1 2917 C CE2 . PHE E 96 ? 0.1588 0.2321 0.2583 0.0006 -0.0074 -0.0038 104 PHE C CE2 2918 C CZ . PHE E 96 ? 0.1978 0.2744 0.3037 0.0040 -0.0124 -0.0059 104 PHE C CZ 2919 N N . LEU E 97 ? 0.2283 0.2553 0.2553 -0.0038 0.0035 -0.0035 105 LEU C N 2920 C CA . LEU E 97 ? 0.2401 0.2537 0.2543 -0.0029 0.0003 0.0024 105 LEU C CA 2921 C C . LEU E 97 ? 0.2380 0.2502 0.2551 0.0033 -0.0106 0.0056 105 LEU C C 2922 O O . LEU E 97 ? 0.2443 0.2595 0.2618 0.0053 -0.0154 0.0035 105 LEU C O 2923 C CB . LEU E 97 ? 0.2650 0.2630 0.2542 -0.0074 0.0040 0.0035 105 LEU C CB 2924 C CG . LEU E 97 ? 0.2866 0.2854 0.2696 -0.0152 0.0157 -0.0007 105 LEU C CG 2925 C CD1 . LEU E 97 ? 0.3286 0.3107 0.2843 -0.0207 0.0188 0.0002 105 LEU C CD1 2926 C CD2 . LEU E 97 ? 0.2645 0.2659 0.2545 -0.0178 0.0210 0.0008 105 LEU C CD2 2927 N N . ARG E 98 ? 0.2381 0.2456 0.2573 0.0062 -0.0139 0.0101 106 ARG C N 2928 C CA . ARG E 98 ? 0.2374 0.2447 0.2607 0.0124 -0.0242 0.0130 106 ARG C CA 2929 C C . ARG E 98 ? 0.2837 0.2811 0.2887 0.0134 -0.0300 0.0153 106 ARG C C 2930 O O . ARG E 98 ? 0.3217 0.3055 0.3073 0.0102 -0.0271 0.0179 106 ARG C O 2931 C CB . ARG E 98 ? 0.2420 0.2439 0.2696 0.0154 -0.0252 0.0170 106 ARG C CB 2932 C CG . ARG E 98 ? 0.2372 0.2414 0.2727 0.0224 -0.0355 0.0193 106 ARG C CG 2933 C CD . ARG E 98 ? 0.2683 0.2669 0.3101 0.0257 -0.0348 0.0222 106 ARG C CD 2934 N NE . ARG E 98 ? 0.3006 0.2804 0.3242 0.0252 -0.0319 0.0270 106 ARG C NE 2935 C CZ . ARG E 98 ? 0.3360 0.3070 0.3596 0.0242 -0.0254 0.0283 106 ARG C CZ 2936 N NH1 . ARG E 98 ? 0.3373 0.3177 0.3783 0.0230 -0.0210 0.0247 106 ARG C NH1 2937 N NH2 . ARG E 98 ? 0.3453 0.2971 0.3498 0.0232 -0.0229 0.0329 106 ARG C NH2 2938 N N . GLY E 99 ? 0.2527 0.2565 0.2625 0.0165 -0.0382 0.0145 107 GLY C N 2939 C CA . GLY E 99 ? 0.2854 0.2816 0.2784 0.0167 -0.0450 0.0170 107 GLY C CA 2940 C C . GLY E 99 ? 0.2930 0.2843 0.2693 0.0103 -0.0401 0.0134 107 GLY C C 2941 O O . GLY E 99 ? 0.3286 0.3115 0.2867 0.0084 -0.0449 0.0157 107 GLY C O 2942 N N . GLN E 100 ? 0.2740 0.2713 0.2568 0.0067 -0.0307 0.0075 108 GLN C N 2943 C CA . GLN E 100 ? 0.3162 0.3095 0.2853 0.0005 -0.0239 0.0027 108 GLN C CA 2944 C C . GLN E 100 ? 0.2996 0.3054 0.2848 0.0004 -0.0193 -0.0048 108 GLN C C 2945 O O . GLN E 100 ? 0.2908 0.3001 0.2800 -0.0027 -0.0098 -0.0094 108 GLN C O 2946 C CB . GLN E 100 ? 0.3483 0.3327 0.3048 -0.0049 -0.0147 0.0032 108 GLN C CB 2947 C CG . GLN E 100 ? 0.4271 0.3975 0.3701 -0.0041 -0.0184 0.0112 108 GLN C CG 2948 C CD . GLN E 100 ? 0.5841 0.5398 0.5015 -0.0070 -0.0242 0.0155 108 GLN C CD 2949 O OE1 . GLN E 100 ? 0.6715 0.6249 0.5755 -0.0131 -0.0212 0.0113 108 GLN C OE1 2950 N NE2 . GLN E 100 ? 0.6397 0.5852 0.5502 -0.0028 -0.0327 0.0239 108 GLN C NE2 2951 N N . GLU E 101 ? 0.2613 0.2739 0.2563 0.0038 -0.0260 -0.0061 109 GLU C N 2952 C CA . GLU E 101 ? 0.2477 0.2701 0.2584 0.0044 -0.0226 -0.0124 109 GLU C CA 2953 C C . GLU E 101 ? 0.2983 0.3172 0.2996 -0.0002 -0.0147 -0.0192 109 GLU C C 2954 O O . GLU E 101 ? 0.2939 0.3196 0.3086 0.0004 -0.0089 -0.0247 109 GLU C O 2955 C CB . GLU E 101 ? 0.2636 0.2917 0.2836 0.0077 -0.0313 -0.0126 109 GLU C CB 2956 C CG . GLU E 101 ? 0.2604 0.2972 0.2985 0.0091 -0.0285 -0.0175 109 GLU C CG 2957 C CD . GLU E 101 ? 0.2801 0.3211 0.3257 0.0109 -0.0364 -0.0181 109 GLU C CD 2958 O OE1 . GLU E 101 ? 0.2916 0.3294 0.3264 0.0102 -0.0428 -0.0171 109 GLU C OE1 2959 O OE2 . GLU E 101 ? 0.3027 0.3505 0.3645 0.0126 -0.0365 -0.0194 109 GLU C OE2 2960 N N . GLN E 102 ? 0.3362 0.3443 0.3147 -0.0050 -0.0144 -0.0188 110 GLN C N 2961 C CA . GLN E 102 ? 0.3677 0.3720 0.3358 -0.0108 -0.0059 -0.0263 110 GLN C CA 2962 C C . GLN E 102 ? 0.3462 0.3531 0.3185 -0.0136 0.0059 -0.0304 110 GLN C C 2963 O O . GLN E 102 ? 0.3486 0.3568 0.3212 -0.0170 0.0148 -0.0385 110 GLN C O 2964 C CB . GLN E 102 ? 0.4007 0.3922 0.3407 -0.0173 -0.0087 -0.0247 110 GLN C CB 2965 C CG . GLN E 102 ? 0.3975 0.3786 0.3184 -0.0224 -0.0055 -0.0206 110 GLN C CG 2966 C CD . GLN E 102 ? 0.4007 0.3784 0.3215 -0.0176 -0.0142 -0.0105 110 GLN C CD 2967 O OE1 . GLN E 102 ? 0.3712 0.3559 0.3073 -0.0106 -0.0225 -0.0069 110 GLN C OE1 2968 N NE2 . GLN E 102 ? 0.4467 0.4128 0.3500 -0.0218 -0.0118 -0.0061 110 GLN C NE2 2969 N N . LEU E 103 ? 0.2993 0.3077 0.2760 -0.0124 0.0064 -0.0253 111 LEU C N 2970 C CA . LEU E 103 ? 0.3140 0.3263 0.2945 -0.0159 0.0173 -0.0288 111 LEU C CA 2971 C C . LEU E 103 ? 0.2725 0.3004 0.2801 -0.0117 0.0213 -0.0336 111 LEU C C 2972 O O . LEU E 103 ? 0.2902 0.3245 0.3040 -0.0146 0.0307 -0.0382 111 LEU C O 2973 C CB . LEU E 103 ? 0.3656 0.3733 0.3403 -0.0170 0.0168 -0.0220 111 LEU C CB 2974 C CG . LEU E 103 ? 0.4071 0.3978 0.3531 -0.0232 0.0172 -0.0180 111 LEU C CG 2975 C CD1 . LEU E 103 ? 0.3480 0.3341 0.2919 -0.0235 0.0178 -0.0119 111 LEU C CD1 2976 C CD2 . LEU E 103 ? 0.4640 0.4509 0.3952 -0.0320 0.0279 -0.0254 111 LEU C CD2 2977 N N . LEU E 104 ? 0.2574 0.2913 0.2809 -0.0055 0.0140 -0.0323 112 LEU C N 2978 C CA . LEU E 104 ? 0.2459 0.2932 0.2946 -0.0013 0.0160 -0.0354 112 LEU C CA 2979 C C . LEU E 104 ? 0.2923 0.3428 0.3462 -0.0024 0.0253 -0.0446 112 LEU C C 2980 O O . LEU E 104 ? 0.2323 0.2944 0.3062 0.0001 0.0295 -0.0475 112 LEU C O 2981 C CB . LEU E 104 ? 0.2325 0.2826 0.2932 0.0042 0.0064 -0.0329 112 LEU C CB 2982 C CG . LEU E 104 ? 0.2245 0.2753 0.2871 0.0060 -0.0023 -0.0252 112 LEU C CG 2983 C CD1 . LEU E 104 ? 0.2061 0.2601 0.2798 0.0099 -0.0103 -0.0245 112 LEU C CD1 2984 C CD2 . LEU E 104 ? 0.2302 0.2887 0.3033 0.0052 0.0007 -0.0222 112 LEU C CD2 2985 N N . GLU E 105 ? 0.3105 0.3513 0.3469 -0.0065 0.0285 -0.0493 113 GLU C N 2986 C CA . GLU E 105 ? 0.3499 0.3932 0.3921 -0.0076 0.0382 -0.0594 113 GLU C CA 2987 C C . GLU E 105 ? 0.3595 0.4104 0.4063 -0.0113 0.0494 -0.0640 113 GLU C C 2988 O O . GLU E 105 ? 0.3313 0.3895 0.3915 -0.0105 0.0580 -0.0725 113 GLU C O 2989 C CB . GLU E 105 ? 0.4458 0.4764 0.4657 -0.0131 0.0401 -0.0642 113 GLU C CB 2990 C CG . GLU E 105 ? 0.5268 0.5467 0.5184 -0.0218 0.0418 -0.0619 113 GLU C CG 2991 C CD . GLU E 105 ? 0.6443 0.6523 0.6131 -0.0287 0.0432 -0.0665 113 GLU C CD 2992 O OE1 . GLU E 105 ? 0.7075 0.7064 0.6524 -0.0377 0.0477 -0.0673 113 GLU C OE1 2993 O OE2 . GLU E 105 ? 0.6501 0.6570 0.6231 -0.0261 0.0398 -0.0693 113 GLU C OE2 2994 N N . ASN E 106 ? 0.3304 0.3799 0.3669 -0.0154 0.0494 -0.0585 114 ASN C N 2995 C CA . ASN E 106 ? 0.3789 0.4358 0.4178 -0.0204 0.0598 -0.0623 114 ASN C CA 2996 C C . ASN E 106 ? 0.3564 0.4309 0.4228 -0.0156 0.0596 -0.0607 114 ASN C C 2997 O O . ASN E 106 ? 0.4127 0.4971 0.4855 -0.0194 0.0683 -0.0647 114 ASN C O 2998 C CB . ASN E 106 ? 0.4364 0.4816 0.4495 -0.0280 0.0602 -0.0571 114 ASN C CB 2999 C CG . ASN E 106 ? 0.5360 0.5646 0.5199 -0.0350 0.0616 -0.0589 114 ASN C CG 3000 O OD1 . ASN E 106 ? 0.5827 0.6109 0.5629 -0.0390 0.0696 -0.0681 114 ASN C OD1 3001 N ND2 . ASN E 106 ? 0.5664 0.5811 0.5297 -0.0366 0.0535 -0.0503 114 ASN C ND2 3002 N N . ILE E 107 ? 0.2914 0.3700 0.3729 -0.0083 0.0497 -0.0549 115 ILE C N 3003 C CA . ILE E 107 ? 0.2705 0.3653 0.3766 -0.0046 0.0480 -0.0523 115 ILE C CA 3004 C C . ILE E 107 ? 0.3138 0.4204 0.4447 0.0013 0.0506 -0.0585 115 ILE C C 3005 O O . ILE E 107 ? 0.3180 0.4202 0.4545 0.0069 0.0458 -0.0593 115 ILE C O 3006 C CB . ILE E 107 ? 0.2547 0.3486 0.3653 -0.0009 0.0363 -0.0432 115 ILE C CB 3007 C CG1 . ILE E 107 ? 0.2351 0.3177 0.3246 -0.0054 0.0338 -0.0371 115 ILE C CG1 3008 C CG2 . ILE E 107 ? 0.2157 0.3261 0.3500 0.0013 0.0343 -0.0404 115 ILE C CG2 3009 C CD1 . ILE E 107 ? 0.2519 0.3325 0.3444 -0.0021 0.0232 -0.0296 115 ILE C CD1 3010 N N . LYS E 108 ? 0.3444 0.4661 0.4907 0.0002 0.0582 -0.0629 116 LYS C N 3011 C CA . LYS E 108 ? 0.3487 0.4828 0.5214 0.0068 0.0610 -0.0688 116 LYS C CA 3012 C C . LYS E 108 ? 0.3259 0.4772 0.5242 0.0112 0.0549 -0.0632 116 LYS C C 3013 O O . LYS E 108 ? 0.2993 0.4568 0.4953 0.0065 0.0533 -0.0577 116 LYS C O 3014 C CB . LYS E 108 ? 0.4227 0.5634 0.5971 0.0027 0.0750 -0.0800 116 LYS C CB 3015 C CG . LYS E 108 ? 0.5090 0.6331 0.6572 -0.0034 0.0819 -0.0864 116 LYS C CG 3016 C CD . LYS E 108 ? 0.5673 0.6800 0.7150 0.0022 0.0782 -0.0887 116 LYS C CD 3017 C CE . LYS E 108 ? 0.6261 0.7244 0.7490 -0.0052 0.0864 -0.0966 116 LYS C CE 3018 N NZ . LYS E 108 ? 0.6561 0.7415 0.7477 -0.0138 0.0838 -0.0906 116 LYS C NZ 3019 N N . ARG E 109 ? 0.3080 0.4658 0.5297 0.0198 0.0515 -0.0645 117 ARG C N 3020 C CA . ARG E 109 ? 0.3927 0.5683 0.6408 0.0242 0.0458 -0.0596 117 ARG C CA 3021 C C . ARG E 109 ? 0.4352 0.6307 0.6974 0.0211 0.0546 -0.0646 117 ARG C C 3022 O O . ARG E 109 ? 0.4591 0.6574 0.7236 0.0206 0.0656 -0.0747 117 ARG C O 3023 C CB . ARG E 109 ? 0.4465 0.6223 0.7161 0.0347 0.0404 -0.0601 117 ARG C CB 3024 C CG . ARG E 109 ? 0.5318 0.6937 0.7947 0.0376 0.0286 -0.0526 117 ARG C CG 3025 C CD . ARG E 109 ? 0.6073 0.7716 0.8942 0.0473 0.0223 -0.0513 117 ARG C CD 3026 N NE . ARG E 109 ? 0.6563 0.8049 0.9341 0.0491 0.0125 -0.0458 117 ARG C NE 3027 C CZ . ARG E 109 ? 0.6779 0.8234 0.9707 0.0561 0.0049 -0.0426 117 ARG C CZ 3028 N NH1 . ARG E 109 ? 0.6701 0.8274 0.9894 0.0635 0.0052 -0.0436 117 ARG C NH1 3029 N NH2 . ARG E 109 ? 0.6884 0.8192 0.9699 0.0558 -0.0031 -0.0382 117 ARG C NH2 3030 N N . LYS E 110 ? 0.4833 0.6931 0.7544 0.0181 0.0501 -0.0579 118 LYS C N 3031 C CA . LYS E 110 ? 0.5435 0.7767 0.8326 0.0152 0.0558 -0.0609 118 LYS C CA 3032 C C . LYS E 110 ? 0.5504 0.7897 0.8305 0.0060 0.0530 -0.0535 118 LYS C C 3033 O O . LYS E 110 ? 0.5837 0.8129 0.8392 -0.0027 0.0585 -0.0540 118 LYS C O 3034 C CB . LYS E 110 ? 0.5950 0.8315 0.8798 0.0110 0.0708 -0.0730 118 LYS C CB 3035 C CG . LYS E 110 ? 0.6109 0.8576 0.9216 0.0198 0.0761 -0.0822 118 LYS C CG 3036 C CD . LYS E 110 ? 0.6138 0.8797 0.9582 0.0285 0.0669 -0.0769 118 LYS C CD 3037 C CE . LYS E 110 ? 0.6340 0.9058 1.0030 0.0391 0.0705 -0.0845 118 LYS C CE 3038 N NZ . LYS E 110 ? 0.6417 0.9232 1.0305 0.0470 0.0581 -0.0745 118 LYS C NZ 3039 N N . HIS F 6 ? 0.7820 0.4195 0.3800 -0.0043 -0.0491 0.0645 14 HIS D N 3040 C CA . HIS F 6 ? 0.7756 0.3917 0.3532 -0.0248 -0.0409 0.0610 14 HIS D CA 3041 C C . HIS F 6 ? 0.6931 0.3305 0.2816 -0.0273 -0.0368 0.0549 14 HIS D C 3042 O O . HIS F 6 ? 0.6752 0.3225 0.2742 -0.0155 -0.0422 0.0509 14 HIS D O 3043 C CB . HIS F 6 ? 0.8256 0.4034 0.3817 -0.0303 -0.0418 0.0595 14 HIS D CB 3044 C CG . HIS F 6 ? 0.8635 0.4303 0.4117 -0.0527 -0.0315 0.0539 14 HIS D CG 3045 N ND1 . HIS F 6 ? 0.8891 0.4460 0.4235 -0.0747 -0.0210 0.0558 14 HIS D ND1 3046 C CD2 . HIS F 6 ? 0.8720 0.4550 0.4446 -0.0560 -0.0286 0.0408 14 HIS D CD2 3047 C CE1 . HIS F 6 ? 0.8908 0.4591 0.4425 -0.0901 -0.0112 0.0442 14 HIS D CE1 3048 N NE2 . HIS F 6 ? 0.8934 0.4777 0.4691 -0.0792 -0.0164 0.0353 14 HIS D NE2 3049 N N . VAL F 7 ? 0.6686 0.3133 0.2541 -0.0425 -0.0271 0.0535 15 VAL D N 3050 C CA . VAL F 7 ? 0.6593 0.3329 0.2673 -0.0447 -0.0216 0.0440 15 VAL D CA 3051 C C . VAL F 7 ? 0.6292 0.3059 0.2554 -0.0556 -0.0145 0.0316 15 VAL D C 3052 O O . VAL F 7 ? 0.6454 0.3023 0.2585 -0.0729 -0.0063 0.0308 15 VAL D O 3053 C CB . VAL F 7 ? 0.6692 0.3529 0.2735 -0.0566 -0.0117 0.0438 15 VAL D CB 3054 C CG1 . VAL F 7 ? 0.6102 0.3289 0.2486 -0.0553 -0.0067 0.0319 15 VAL D CG1 3055 C CG2 . VAL F 7 ? 0.6841 0.3787 0.2936 -0.0467 -0.0188 0.0514 15 VAL D CG2 3056 N N . PRO F 8 ? 0.5848 0.2865 0.2406 -0.0467 -0.0186 0.0229 16 PRO D N 3057 C CA . PRO F 8 ? 0.5973 0.3056 0.2737 -0.0568 -0.0141 0.0117 16 PRO D CA 3058 C C . PRO F 8 ? 0.5807 0.2965 0.2656 -0.0774 0.0013 0.0055 16 PRO D C 3059 O O . PRO F 8 ? 0.5668 0.3002 0.2593 -0.0787 0.0081 0.0043 16 PRO D O 3060 C CB . PRO F 8 ? 0.5684 0.3096 0.2765 -0.0439 -0.0212 0.0051 16 PRO D CB 3061 C CG . PRO F 8 ? 0.5691 0.3126 0.2675 -0.0247 -0.0317 0.0138 16 PRO D CG 3062 C CD . PRO F 8 ? 0.5519 0.2776 0.2228 -0.0276 -0.0286 0.0243 16 PRO D CD 3063 N N . ALA F 9 ? 0.6235 0.3268 0.3076 -0.0933 0.0072 0.0013 17 ALA D N 3064 C CA . ALA F 9 ? 0.5743 0.2867 0.2679 -0.1138 0.0233 -0.0046 17 ALA D CA 3065 C C . ALA F 9 ? 0.5598 0.3132 0.2937 -0.1114 0.0288 -0.0147 17 ALA D C 3066 O O . ALA F 9 ? 0.5498 0.3159 0.2907 -0.1211 0.0428 -0.0186 17 ALA D O 3067 C CB . ALA F 9 ? 0.6009 0.2969 0.2917 -0.1309 0.0263 -0.0074 17 ALA D CB 3068 N N . PHE F 10 ? 0.5121 0.2851 0.2715 -0.0983 0.0179 -0.0189 18 PHE D N 3069 C CA . PHE F 10 ? 0.4794 0.2902 0.2784 -0.0942 0.0203 -0.0272 18 PHE D CA 3070 C C . PHE F 10 ? 0.4713 0.2922 0.2683 -0.0888 0.0265 -0.0260 18 PHE D C 3071 O O . PHE F 10 ? 0.4618 0.3022 0.2796 -0.0958 0.0390 -0.0333 18 PHE D O 3072 C CB . PHE F 10 ? 0.4848 0.3113 0.3038 -0.0788 0.0045 -0.0288 18 PHE D CB 3073 C CG . PHE F 10 ? 0.4447 0.3083 0.3035 -0.0732 0.0044 -0.0355 18 PHE D CG 3074 C CD1 . PHE F 10 ? 0.4638 0.3501 0.3580 -0.0827 0.0086 -0.0439 18 PHE D CD1 3075 C CD2 . PHE F 10 ? 0.3996 0.2749 0.2609 -0.0589 -0.0005 -0.0327 18 PHE D CD2 3076 C CE1 . PHE F 10 ? 0.4325 0.3519 0.3649 -0.0765 0.0078 -0.0494 18 PHE D CE1 3077 C CE2 . PHE F 10 ? 0.4113 0.3176 0.3085 -0.0536 -0.0014 -0.0384 18 PHE D CE2 3078 C CZ . PHE F 10 ? 0.3659 0.2940 0.2992 -0.0618 0.0027 -0.0468 18 PHE D CZ 3079 N N . LEU F 11 ? 0.4678 0.2751 0.2399 -0.0766 0.0176 -0.0170 19 LEU D N 3080 C CA . LEU F 11 ? 0.4581 0.2730 0.2253 -0.0711 0.0202 -0.0147 19 LEU D CA 3081 C C . LEU F 11 ? 0.4847 0.2856 0.2301 -0.0869 0.0362 -0.0146 19 LEU D C 3082 O O . LEU F 11 ? 0.4789 0.2937 0.2340 -0.0897 0.0462 -0.0203 19 LEU D O 3083 C CB . LEU F 11 ? 0.4529 0.2577 0.1989 -0.0552 0.0055 -0.0036 19 LEU D CB 3084 C CG . LEU F 11 ? 0.4497 0.2721 0.2166 -0.0389 -0.0093 -0.0040 19 LEU D CG 3085 C CD1 . LEU F 11 ? 0.4929 0.3051 0.2378 -0.0241 -0.0223 0.0075 19 LEU D CD1 3086 C CD2 . LEU F 11 ? 0.3954 0.2493 0.1958 -0.0341 -0.0094 -0.0110 19 LEU D CD2 3087 N N . THR F 12 ? 0.5166 0.2885 0.2311 -0.0974 0.0385 -0.0081 20 THR D N 3088 C CA . THR F 12 ? 0.5861 0.3423 0.2755 -0.1148 0.0533 -0.0069 20 THR D CA 3089 C C . THR F 12 ? 0.5943 0.3699 0.3089 -0.1295 0.0717 -0.0196 20 THR D C 3090 O O . THR F 12 ? 0.5546 0.3361 0.2662 -0.1370 0.0858 -0.0243 20 THR D O 3091 C CB . THR F 12 ? 0.6718 0.3919 0.3245 -0.1244 0.0508 0.0032 20 THR D CB 3092 O OG1 . THR F 12 ? 0.7008 0.4042 0.3310 -0.1096 0.0348 0.0155 20 THR D OG1 3093 C CG2 . THR F 12 ? 0.7223 0.4266 0.3480 -0.1449 0.0664 0.0046 20 THR D CG2 3094 N N . LYS F 13 ? 0.5422 0.3282 0.2820 -0.1336 0.0716 -0.0252 21 LYS D N 3095 C CA . LYS F 13 ? 0.5636 0.3732 0.3342 -0.1465 0.0880 -0.0367 21 LYS D CA 3096 C C . LYS F 13 ? 0.5122 0.3537 0.3160 -0.1364 0.0929 -0.0458 21 LYS D C 3097 O O . LYS F 13 ? 0.5198 0.3730 0.3323 -0.1456 0.1109 -0.0537 21 LYS D O 3098 C CB . LYS F 13 ? 0.5368 0.3542 0.3313 -0.1511 0.0828 -0.0398 21 LYS D CB 3099 C CG . LYS F 13 ? 0.5881 0.3730 0.3515 -0.1660 0.0820 -0.0329 21 LYS D CG 3100 C CD . LYS F 13 ? 0.6171 0.4099 0.4042 -0.1736 0.0781 -0.0372 21 LYS D CD 3101 C CE . LYS F 13 ? 0.6309 0.4351 0.4384 -0.1551 0.0596 -0.0383 21 LYS D CE 3102 N NZ . LYS F 13 ? 0.6566 0.4664 0.4842 -0.1639 0.0542 -0.0422 21 LYS D NZ 3103 N N . LEU F 14 ? 0.4819 0.3360 0.3030 -0.1175 0.0771 -0.0448 22 LEU D N 3104 C CA . LEU F 14 ? 0.4554 0.3373 0.3084 -0.1067 0.0786 -0.0524 22 LEU D CA 3105 C C . LEU F 14 ? 0.4661 0.3404 0.2979 -0.1073 0.0887 -0.0531 22 LEU D C 3106 O O . LEU F 14 ? 0.4651 0.3559 0.3167 -0.1101 0.1033 -0.0632 22 LEU D O 3107 C CB . LEU F 14 ? 0.4254 0.3173 0.2926 -0.0876 0.0577 -0.0486 22 LEU D CB 3108 C CG . LEU F 14 ? 0.4059 0.3259 0.3087 -0.0756 0.0554 -0.0551 22 LEU D CG 3109 C CD1 . LEU F 14 ? 0.4090 0.3571 0.3574 -0.0806 0.0633 -0.0656 22 LEU D CD1 3110 C CD2 . LEU F 14 ? 0.4052 0.3294 0.3111 -0.0588 0.0341 -0.0485 22 LEU D CD2 3111 N N . TRP F 15 ? 0.4785 0.3272 0.2699 -0.1048 0.0807 -0.0423 23 TRP D N 3112 C CA . TRP F 15 ? 0.4925 0.3303 0.2578 -0.1071 0.0878 -0.0414 23 TRP D CA 3113 C C . TRP F 15 ? 0.5226 0.3550 0.2767 -0.1262 0.1113 -0.0487 23 TRP D C 3114 O O . TRP F 15 ? 0.5280 0.3661 0.2831 -0.1281 0.1238 -0.0566 23 TRP D O 3115 C CB . TRP F 15 ? 0.5395 0.3503 0.2625 -0.1036 0.0742 -0.0264 23 TRP D CB 3116 C CG . TRP F 15 ? 0.5167 0.3171 0.2128 -0.1043 0.0762 -0.0235 23 TRP D CG 3117 C CD1 . TRP F 15 ? 0.4974 0.3046 0.1956 -0.0908 0.0643 -0.0203 23 TRP D CD1 3118 C CD2 . TRP F 15 ? 0.5743 0.3546 0.2350 -0.1208 0.0903 -0.0231 23 TRP D CD2 3119 N NE1 . TRP F 15 ? 0.5193 0.3113 0.1859 -0.0981 0.0696 -0.0181 23 TRP D NE1 3120 C CE2 . TRP F 15 ? 0.5561 0.3312 0.1986 -0.1164 0.0856 -0.0200 23 TRP D CE2 3121 C CE3 . TRP F 15 ? 0.6309 0.3967 0.2721 -0.1404 0.1061 -0.0247 23 TRP D CE3 3122 C CZ2 . TRP F 15 ? 0.5873 0.3423 0.1914 -0.1308 0.0961 -0.0190 23 TRP D CZ2 3123 C CZ3 . TRP F 15 ? 0.6566 0.4035 0.2601 -0.1545 0.1171 -0.0235 23 TRP D CZ3 3124 C CH2 . TRP F 15 ? 0.6307 0.3738 0.2206 -0.1483 0.1105 -0.0210 23 TRP D CH2 3125 N N . THR F 16 ? 0.5793 0.3997 0.3217 -0.1410 0.1175 -0.0463 24 THR D N 3126 C CA . THR F 16 ? 0.5756 0.3916 0.3063 -0.1615 0.1402 -0.0523 24 THR D CA 3127 C C . THR F 16 ? 0.5629 0.4124 0.3395 -0.1631 0.1568 -0.0679 24 THR D C 3128 O O . THR F 16 ? 0.5792 0.4335 0.3533 -0.1715 0.1767 -0.0769 24 THR D O 3129 C CB . THR F 16 ? 0.6535 0.4491 0.3630 -0.1777 0.1410 -0.0450 24 THR D CB 3130 O OG1 . THR F 16 ? 0.6829 0.4456 0.3488 -0.1761 0.1268 -0.0302 24 THR D OG1 3131 C CG2 . THR F 16 ? 0.7010 0.4955 0.4007 -0.2004 0.1653 -0.0513 24 THR D CG2 3132 N N . LEU F 17 ? 0.5355 0.4083 0.3540 -0.1550 0.1485 -0.0711 25 LEU D N 3133 C CA . LEU F 17 ? 0.5208 0.4287 0.3892 -0.1546 0.1613 -0.0845 25 LEU D CA 3134 C C . LEU F 17 ? 0.5057 0.4280 0.3914 -0.1407 0.1650 -0.0928 25 LEU D C 3135 O O . LEU F 17 ? 0.5113 0.4521 0.4198 -0.1442 0.1846 -0.1050 25 LEU D O 3136 C CB . LEU F 17 ? 0.5404 0.4683 0.4476 -0.1481 0.1469 -0.0839 25 LEU D CB 3137 C CG . LEU F 17 ? 0.5552 0.5230 0.5208 -0.1437 0.1542 -0.0956 25 LEU D CG 3138 C CD1 . LEU F 17 ? 0.5679 0.5496 0.5469 -0.1623 0.1792 -0.1040 25 LEU D CD1 3139 C CD2 . LEU F 17 ? 0.5115 0.4949 0.5086 -0.1365 0.1348 -0.0927 25 LEU D CD2 3140 N N . VAL F 18 ? 0.4883 0.4020 0.3634 -0.1249 0.1464 -0.0863 26 VAL D N 3141 C CA . VAL F 18 ? 0.4767 0.3995 0.3640 -0.1122 0.1475 -0.0929 26 VAL D CA 3142 C C . VAL F 18 ? 0.5091 0.4147 0.3627 -0.1227 0.1667 -0.0979 26 VAL D C 3143 O O . VAL F 18 ? 0.5131 0.4311 0.3848 -0.1206 0.1820 -0.1105 26 VAL D O 3144 C CB . VAL F 18 ? 0.4548 0.3699 0.3323 -0.0955 0.1230 -0.0830 26 VAL D CB 3145 C CG1 . VAL F 18 ? 0.4498 0.3683 0.3322 -0.0853 0.1245 -0.0890 26 VAL D CG1 3146 C CG2 . VAL F 18 ? 0.4239 0.3577 0.3355 -0.0847 0.1051 -0.0798 26 VAL D CG2 3147 N N . SER F 19 ? 0.5348 0.4106 0.3385 -0.1341 0.1655 -0.0879 27 SER D N 3148 C CA . SER F 19 ? 0.5812 0.4355 0.3435 -0.1454 0.1797 -0.0898 27 SER D CA 3149 C C . SER F 19 ? 0.5970 0.4575 0.3615 -0.1630 0.2082 -0.1015 27 SER D C 3150 O O . SER F 19 ? 0.6226 0.4744 0.3660 -0.1700 0.2250 -0.1092 27 SER D O 3151 C CB . SER F 19 ? 0.5887 0.4099 0.2981 -0.1526 0.1673 -0.0734 27 SER D CB 3152 O OG . SER F 19 ? 0.5660 0.3825 0.2710 -0.1364 0.1432 -0.0630 27 SER D OG 3153 N N . ASP F 20 ? 0.6247 0.5005 0.4139 -0.1709 0.2139 -0.1028 28 ASP D N 3154 C CA . ASP F 20 ? 0.6511 0.5355 0.4436 -0.1897 0.2408 -0.1121 28 ASP D CA 3155 C C . ASP F 20 ? 0.6449 0.5572 0.4762 -0.1833 0.2606 -0.1301 28 ASP D C 3156 O O . ASP F 20 ? 0.6067 0.5495 0.4913 -0.1707 0.2572 -0.1362 28 ASP D O 3157 C CB . ASP F 20 ? 0.6163 0.5124 0.4301 -0.1991 0.2390 -0.1082 28 ASP D CB 3158 C CG . ASP F 20 ? 0.7206 0.6230 0.5315 -0.2221 0.2656 -0.1147 28 ASP D CG 3159 O OD1 . ASP F 20 ? 0.7471 0.6391 0.5297 -0.2325 0.2851 -0.1206 28 ASP D OD1 3160 O OD2 . ASP F 20 ? 0.6913 0.6090 0.5269 -0.2309 0.2670 -0.1138 28 ASP D OD2 3161 N N . PRO F 21 ? 0.7043 0.6054 0.5084 -0.1919 0.2814 -0.1387 29 PRO D N 3162 C CA . PRO F 21 ? 0.7017 0.6251 0.5385 -0.1843 0.3018 -0.1570 29 PRO D CA 3163 C C . PRO F 21 ? 0.6907 0.6526 0.5824 -0.1875 0.3187 -0.1671 29 PRO D C 3164 O O . PRO F 21 ? 0.6707 0.6599 0.6096 -0.1736 0.3267 -0.1798 29 PRO D O 3165 C CB . PRO F 21 ? 0.7761 0.6738 0.5711 -0.1947 0.3093 -0.1580 29 PRO D CB 3166 C CG . PRO F 21 ? 0.8005 0.6725 0.5512 -0.2129 0.3015 -0.1432 29 PRO D CG 3167 C CD . PRO F 21 ? 0.7591 0.6252 0.5043 -0.2076 0.2816 -0.1303 29 PRO D CD 3168 N N . ASP F 22 ? 0.7103 0.6740 0.5970 -0.2052 0.3220 -0.1604 30 ASP D N 3169 C CA . ASP F 22 ? 0.7171 0.7173 0.6542 -0.2106 0.3352 -0.1675 30 ASP D CA 3170 C C . ASP F 22 ? 0.6338 0.6653 0.6302 -0.1941 0.3197 -0.1674 30 ASP D C 3171 O O . ASP F 22 ? 0.6131 0.6819 0.6628 -0.1933 0.3312 -0.1760 30 ASP D O 3172 C CB . ASP F 22 ? 0.7869 0.7764 0.6998 -0.2337 0.3366 -0.1578 30 ASP D CB 3173 C CG . ASP F 22 ? 0.8607 0.8256 0.7284 -0.2478 0.3469 -0.1582 30 ASP D CG 3174 O OD1 . ASP F 22 ? 0.8499 0.8135 0.7148 -0.2410 0.3572 -0.1682 30 ASP D OD1 3175 O OD2 . ASP F 22 ? 0.9108 0.8571 0.7465 -0.2658 0.3440 -0.1484 30 ASP D OD2 3176 N N . THR F 23 ? 0.5895 0.6058 0.5770 -0.1803 0.2907 -0.1566 31 THR D N 3177 C CA . THR F 23 ? 0.5372 0.5785 0.5748 -0.1645 0.2706 -0.1543 31 THR D CA 3178 C C . THR F 23 ? 0.5143 0.5639 0.5761 -0.1409 0.2620 -0.1602 31 THR D C 3179 O O . THR F 23 ? 0.4822 0.5514 0.5842 -0.1266 0.2441 -0.1581 31 THR D O 3180 C CB . THR F 23 ? 0.5242 0.5458 0.5398 -0.1648 0.2432 -0.1382 31 THR D CB 3181 O OG1 . THR F 23 ? 0.5282 0.5161 0.4962 -0.1580 0.2301 -0.1304 31 THR D OG1 3182 C CG2 . THR F 23 ? 0.5478 0.5597 0.5422 -0.1879 0.2494 -0.1318 31 THR D CG2 3183 N N . ASP F 24 ? 0.5335 0.5664 0.5688 -0.1379 0.2740 -0.1673 32 ASP D N 3184 C CA . ASP F 24 ? 0.5477 0.5782 0.5931 -0.1169 0.2628 -0.1707 32 ASP D CA 3185 C C . ASP F 24 ? 0.5522 0.6198 0.6650 -0.1011 0.2656 -0.1814 32 ASP D C 3186 O O . ASP F 24 ? 0.5537 0.6225 0.6832 -0.0827 0.2508 -0.1819 32 ASP D O 3187 C CB . ASP F 24 ? 0.5669 0.5704 0.5683 -0.1197 0.2774 -0.1776 32 ASP D CB 3188 C CG . ASP F 24 ? 0.5790 0.5440 0.5183 -0.1252 0.2612 -0.1636 32 ASP D CG 3189 O OD1 . ASP F 24 ? 0.5382 0.4986 0.4729 -0.1226 0.2379 -0.1494 32 ASP D OD1 3190 O OD2 . ASP F 24 ? 0.6000 0.5398 0.4957 -0.1318 0.2717 -0.1667 32 ASP D OD2 3191 N N . ALA F 25 ? 0.5438 0.6421 0.6960 -0.1086 0.2836 -0.1891 33 ALA D N 3192 C CA . ALA F 25 ? 0.5254 0.6623 0.7467 -0.0938 0.2842 -0.1973 33 ALA D CA 3193 C C . ALA F 25 ? 0.5009 0.6496 0.7502 -0.0836 0.2527 -0.1854 33 ALA D C 3194 O O . ALA F 25 ? 0.4415 0.6092 0.7343 -0.0657 0.2418 -0.1881 33 ALA D O 3195 C CB . ALA F 25 ? 0.5337 0.7040 0.7921 -0.1059 0.3102 -0.2065 33 ALA D CB 3196 N N . LEU F 26 ? 0.4344 0.5700 0.6567 -0.0949 0.2377 -0.1723 34 LEU D N 3197 C CA . LEU F 26 ? 0.4034 0.5489 0.6477 -0.0877 0.2092 -0.1616 34 LEU D CA 3198 C C . LEU F 26 ? 0.3932 0.5073 0.5948 -0.0804 0.1847 -0.1498 34 LEU D C 3199 O O . LEU F 26 ? 0.3669 0.4885 0.5882 -0.0675 0.1616 -0.1438 34 LEU D O 3200 C CB . LEU F 26 ? 0.4743 0.6313 0.7267 -0.1051 0.2086 -0.1560 34 LEU D CB 3201 C CG . LEU F 26 ? 0.5149 0.7123 0.8220 -0.1124 0.2265 -0.1647 34 LEU D CG 3202 C CD1 . LEU F 26 ? 0.5124 0.7149 0.8187 -0.1318 0.2226 -0.1571 34 LEU D CD1 3203 C CD2 . LEU F 26 ? 0.4948 0.7268 0.8658 -0.0939 0.2170 -0.1689 34 LEU D CD2 3204 N N . ILE F 27 ? 0.4151 0.4954 0.5589 -0.0892 0.1895 -0.1457 35 ILE D N 3205 C CA . ILE F 27 ? 0.4073 0.4595 0.5106 -0.0830 0.1673 -0.1335 35 ILE D CA 3206 C C . ILE F 27 ? 0.4334 0.4539 0.4837 -0.0876 0.1770 -0.1336 35 ILE D C 3207 O O . ILE F 27 ? 0.4618 0.4678 0.4810 -0.1040 0.1936 -0.1344 35 ILE D O 3208 C CB . ILE F 27 ? 0.4036 0.4462 0.4890 -0.0918 0.1526 -0.1215 35 ILE D CB 3209 C CG1 . ILE F 27 ? 0.3944 0.4118 0.4430 -0.0829 0.1300 -0.1093 35 ILE D CG1 3210 C CG2 . ILE F 27 ? 0.4341 0.4636 0.4914 -0.1132 0.1703 -0.1213 35 ILE D CG2 3211 C CD1 . ILE F 27 ? 0.4004 0.4073 0.4333 -0.0881 0.1146 -0.0985 35 ILE D CD1 3212 N N . CYS F 28 ? 0.4257 0.4349 0.4645 -0.0742 0.1658 -0.1320 36 CYS D N 3213 C CA . CYS F 28 ? 0.4519 0.4335 0.4450 -0.0783 0.1753 -0.1336 36 CYS D CA 3214 C C . CYS F 28 ? 0.5022 0.4676 0.4747 -0.0658 0.1535 -0.1249 36 CYS D C 3215 O O . CYS F 28 ? 0.4106 0.3900 0.4115 -0.0519 0.1346 -0.1210 36 CYS D O 3216 C CB . CYS F 28 ? 0.5238 0.5145 0.5346 -0.0779 0.2000 -0.1505 36 CYS D CB 3217 S SG . CYS F 28 ? 0.5401 0.5530 0.6045 -0.0546 0.1909 -0.1584 36 CYS D SG 3218 N N . TRP F 29 ? 0.4629 0.3996 0.3855 -0.0721 0.1561 -0.1214 37 TRP D N 3219 C CA . TRP F 29 ? 0.4921 0.4133 0.3928 -0.0624 0.1374 -0.1133 37 TRP D CA 3220 C C . TRP F 29 ? 0.4501 0.3798 0.3777 -0.0495 0.1387 -0.1238 37 TRP D C 3221 O O . TRP F 29 ? 0.4668 0.4022 0.4099 -0.0511 0.1598 -0.1386 37 TRP D O 3222 C CB . TRP F 29 ? 0.4874 0.3762 0.3283 -0.0742 0.1405 -0.1071 37 TRP D CB 3223 C CG . TRP F 29 ? 0.4930 0.3684 0.3031 -0.0847 0.1344 -0.0939 37 TRP D CG 3224 C CD1 . TRP F 29 ? 0.5229 0.3844 0.3044 -0.1022 0.1501 -0.0940 37 TRP D CD1 3225 C CD2 . TRP F 29 ? 0.4721 0.3456 0.2762 -0.0779 0.1109 -0.0785 37 TRP D CD2 3226 N NE1 . TRP F 29 ? 0.5221 0.3714 0.2810 -0.1062 0.1367 -0.0793 37 TRP D NE1 3227 C CE2 . TRP F 29 ? 0.4912 0.3479 0.2641 -0.0908 0.1133 -0.0703 37 TRP D CE2 3228 C CE3 . TRP F 29 ? 0.4410 0.3251 0.2628 -0.0623 0.0885 -0.0711 37 TRP D CE3 3229 C CZ2 . TRP F 29 ? 0.4807 0.3303 0.2408 -0.0868 0.0946 -0.0557 37 TRP D CZ2 3230 C CZ3 . TRP F 29 ? 0.4301 0.3092 0.2386 -0.0593 0.0712 -0.0570 37 TRP D CZ3 3231 C CH2 . TRP F 29 ? 0.4500 0.3117 0.2287 -0.0707 0.0746 -0.0500 37 TRP D CH2 3232 N N . SER F 30 ? 0.4286 0.3587 0.3616 -0.0367 0.1162 -0.1159 38 SER D N 3233 C CA . SER F 30 ? 0.4305 0.3583 0.3751 -0.0262 0.1146 -0.1233 38 SER D CA 3234 C C . SER F 30 ? 0.4667 0.3646 0.3628 -0.0357 0.1264 -0.1270 38 SER D C 3235 O O . SER F 30 ? 0.5131 0.3929 0.3660 -0.0482 0.1274 -0.1189 38 SER D O 3236 C CB . SER F 30 ? 0.4028 0.3346 0.3559 -0.0135 0.0865 -0.1114 38 SER D CB 3237 O OG . SER F 30 ? 0.5725 0.4860 0.4813 -0.0187 0.0728 -0.0966 38 SER D OG 3238 N N . PRO F 31 ? 0.4823 0.3733 0.3841 -0.0302 0.1349 -0.1392 39 PRO D N 3239 C CA . PRO F 31 ? 0.5202 0.3801 0.3721 -0.0402 0.1449 -0.1432 39 PRO D CA 3240 C C . PRO F 31 ? 0.5215 0.3600 0.3260 -0.0460 0.1242 -0.1253 39 PRO D C 3241 O O . PRO F 31 ? 0.5511 0.3666 0.3078 -0.0605 0.1314 -0.1227 39 PRO D O 3242 C CB . PRO F 31 ? 0.5509 0.4072 0.4226 -0.0285 0.1483 -0.1564 39 PRO D CB 3243 C CG . PRO F 31 ? 0.5086 0.3973 0.4432 -0.0170 0.1558 -0.1660 39 PRO D CG 3244 C CD . PRO F 31 ? 0.4712 0.3814 0.4250 -0.0155 0.1379 -0.1512 39 PRO D CD 3245 N N . SER F 32 ? 0.4903 0.3383 0.3090 -0.0352 0.0987 -0.1126 40 SER D N 3246 C CA . SER F 32 ? 0.5719 0.4049 0.3524 -0.0387 0.0781 -0.0949 40 SER D CA 3247 C C . SER F 32 ? 0.5507 0.3809 0.3063 -0.0486 0.0764 -0.0828 40 SER D C 3248 O O . SER F 32 ? 0.4992 0.3127 0.2151 -0.0552 0.0656 -0.0698 40 SER D O 3249 C CB . SER F 32 ? 0.4545 0.3023 0.2601 -0.0247 0.0526 -0.0846 40 SER D CB 3250 O OG . SER F 32 ? 0.4424 0.3148 0.2802 -0.0185 0.0460 -0.0795 40 SER D OG 3251 N N . GLY F 33 ? 0.4783 0.3248 0.2583 -0.0494 0.0859 -0.0864 41 GLY D N 3252 C CA . GLY F 33 ? 0.4788 0.3217 0.2388 -0.0575 0.0833 -0.0752 41 GLY D CA 3253 C C . GLY F 33 ? 0.4470 0.3016 0.2177 -0.0476 0.0595 -0.0601 41 GLY D C 3254 O O . GLY F 33 ? 0.4476 0.2976 0.2020 -0.0521 0.0553 -0.0501 41 GLY D O 3255 N N . ASN F 34 ? 0.4216 0.2904 0.2188 -0.0341 0.0444 -0.0585 42 ASN D N 3256 C CA . ASN F 34 ? 0.4052 0.2859 0.2109 -0.0247 0.0222 -0.0447 42 ASN D CA 3257 C C . ASN F 34 ? 0.3658 0.2714 0.2156 -0.0162 0.0188 -0.0481 42 ASN D C 3258 O O . ASN F 34 ? 0.3443 0.2600 0.2011 -0.0090 0.0021 -0.0381 42 ASN D O 3259 C CB . ASN F 34 ? 0.4164 0.2965 0.2179 -0.0171 0.0045 -0.0374 42 ASN D CB 3260 C CG . ASN F 34 ? 0.4610 0.3171 0.2169 -0.0262 0.0033 -0.0309 42 ASN D CG 3261 O OD1 . ASN F 34 ? 0.4493 0.2922 0.1736 -0.0350 0.0058 -0.0235 42 ASN D OD1 3262 N ND2 . ASN F 34 ? 0.4357 0.2847 0.1871 -0.0247 -0.0014 -0.0333 42 ASN D ND2 3263 N N . SER F 35 ? 0.3681 0.2843 0.2478 -0.0174 0.0344 -0.0623 43 SER D N 3264 C CA . SER F 35 ? 0.3452 0.2857 0.2676 -0.0116 0.0316 -0.0658 43 SER D CA 3265 C C . SER F 35 ? 0.3593 0.3050 0.2966 -0.0206 0.0540 -0.0781 43 SER D C 3266 O O . SER F 35 ? 0.3859 0.3176 0.3027 -0.0299 0.0720 -0.0851 43 SER D O 3267 C CB . SER F 35 ? 0.3247 0.2828 0.2848 0.0012 0.0207 -0.0690 43 SER D CB 3268 O OG . SER F 35 ? 0.4191 0.3735 0.3890 0.0018 0.0342 -0.0814 43 SER D OG 3269 N N . PHE F 36 ? 0.3433 0.3097 0.3155 -0.0191 0.0530 -0.0806 44 PHE D N 3270 C CA . PHE F 36 ? 0.3886 0.3656 0.3827 -0.0274 0.0740 -0.0926 44 PHE D CA 3271 C C . PHE F 36 ? 0.3336 0.3409 0.3841 -0.0194 0.0712 -0.0991 44 PHE D C 3272 O O . PHE F 36 ? 0.3097 0.3289 0.3795 -0.0096 0.0514 -0.0929 44 PHE D O 3273 C CB . PHE F 36 ? 0.3680 0.3356 0.3400 -0.0409 0.0806 -0.0883 44 PHE D CB 3274 C CG . PHE F 36 ? 0.3484 0.3254 0.3326 -0.0382 0.0642 -0.0803 44 PHE D CG 3275 C CD1 . PHE F 36 ? 0.3656 0.3304 0.3243 -0.0327 0.0455 -0.0676 44 PHE D CD1 3276 C CD2 . PHE F 36 ? 0.3410 0.3387 0.3613 -0.0419 0.0681 -0.0857 44 PHE D CD2 3277 C CE1 . PHE F 36 ? 0.3490 0.3202 0.3163 -0.0302 0.0319 -0.0617 44 PHE D CE1 3278 C CE2 . PHE F 36 ? 0.3740 0.3774 0.4021 -0.0408 0.0530 -0.0791 44 PHE D CE2 3279 C CZ . PHE F 36 ? 0.3728 0.3617 0.3731 -0.0346 0.0354 -0.0677 44 PHE D CZ 3280 N N . HIS F 37 ? 0.3442 0.3648 0.4212 -0.0241 0.0914 -0.1116 45 HIS D N 3281 C CA . HIS F 37 ? 0.3271 0.3787 0.4611 -0.0173 0.0905 -0.1181 45 HIS D CA 3282 C C . HIS F 37 ? 0.4104 0.4774 0.5622 -0.0292 0.1000 -0.1203 45 HIS D C 3283 O O . HIS F 37 ? 0.3520 0.4077 0.4791 -0.0431 0.1176 -0.1229 45 HIS D O 3284 C CB . HIS F 37 ? 0.3370 0.3970 0.4976 -0.0107 0.1063 -0.1318 45 HIS D CB 3285 C CG . HIS F 37 ? 0.3527 0.3986 0.5023 0.0012 0.0960 -0.1309 45 HIS D CG 3286 N ND1 . HIS F 37 ? 0.3640 0.4242 0.5498 0.0159 0.0793 -0.1297 45 HIS D ND1 3287 C CD2 . HIS F 37 ? 0.3885 0.4064 0.4947 -0.0005 0.0996 -0.1308 45 HIS D CD2 3288 C CE1 . HIS F 37 ? 0.3979 0.4389 0.5627 0.0226 0.0731 -0.1288 45 HIS D CE1 3289 N NE2 . HIS F 37 ? 0.4077 0.4232 0.5242 0.0128 0.0851 -0.1296 45 HIS D NE2 3290 N N . VAL F 38 ? 0.3080 0.4001 0.5014 -0.0248 0.0875 -0.1185 46 VAL D N 3291 C CA . VAL F 38 ? 0.3097 0.4237 0.5338 -0.0352 0.0973 -0.1227 46 VAL D CA 3292 C C . VAL F 38 ? 0.3006 0.4465 0.5841 -0.0263 0.1028 -0.1321 46 VAL D C 3293 O O . VAL F 38 ? 0.2793 0.4403 0.5940 -0.0143 0.0840 -0.1287 46 VAL D O 3294 C CB . VAL F 38 ? 0.3326 0.4505 0.5579 -0.0393 0.0781 -0.1130 46 VAL D CB 3295 C CG1 . VAL F 38 ? 0.3004 0.4410 0.5578 -0.0520 0.0880 -0.1173 46 VAL D CG1 3296 C CG2 . VAL F 38 ? 0.3058 0.3913 0.4743 -0.0451 0.0717 -0.1035 46 VAL D CG2 3297 N N . PHE F 39 ? 0.3186 0.4743 0.6169 -0.0318 0.1287 -0.1438 47 PHE D N 3298 C CA . PHE F 39 ? 0.3914 0.5799 0.7498 -0.0232 0.1373 -0.1537 47 PHE D CA 3299 C C . PHE F 39 ? 0.4329 0.6514 0.8286 -0.0346 0.1408 -0.1536 47 PHE D C 3300 O O . PHE F 39 ? 0.4605 0.6741 0.8357 -0.0518 0.1557 -0.1544 47 PHE D O 3301 C CB . PHE F 39 ? 0.3376 0.5220 0.6938 -0.0220 0.1654 -0.1679 47 PHE D CB 3302 C CG . PHE F 39 ? 0.3928 0.5440 0.7054 -0.0148 0.1640 -0.1685 47 PHE D CG 3303 C CD1 . PHE F 39 ? 0.3351 0.4837 0.6614 0.0028 0.1471 -0.1670 47 PHE D CD1 3304 C CD2 . PHE F 39 ? 0.4170 0.5393 0.6745 -0.0269 0.1792 -0.1699 47 PHE D CD2 3305 C CE1 . PHE F 39 ? 0.3470 0.4649 0.6328 0.0077 0.1451 -0.1671 47 PHE D CE1 3306 C CE2 . PHE F 39 ? 0.3865 0.4787 0.6036 -0.0218 0.1769 -0.1698 47 PHE D CE2 3307 C CZ . PHE F 39 ? 0.3829 0.4730 0.6143 -0.0047 0.1600 -0.1687 47 PHE D CZ 3308 N N . ASP F 40 ? 0.4599 0.7084 0.9089 -0.0263 0.1261 -0.1518 48 ASP D N 3309 C CA . ASP F 40 ? 0.4865 0.7656 0.9738 -0.0377 0.1269 -0.1507 48 ASP D CA 3310 C C . ASP F 40 ? 0.4763 0.7383 0.9267 -0.0520 0.1123 -0.1397 48 ASP D C 3311 O O . ASP F 40 ? 0.4590 0.7065 0.8768 -0.0683 0.1262 -0.1399 48 ASP D O 3312 C CB . ASP F 40 ? 0.5304 0.8266 1.0349 -0.0483 0.1591 -0.1621 48 ASP D CB 3313 C CG . ASP F 40 ? 0.5424 0.8795 1.1018 -0.0574 0.1606 -0.1621 48 ASP D CG 3314 O OD1 . ASP F 40 ? 0.5549 0.8980 1.1214 -0.0627 0.1381 -0.1520 48 ASP D OD1 3315 O OD2 . ASP F 40 ? 0.5429 0.9026 1.1323 -0.0592 0.1830 -0.1708 48 ASP D OD2 3316 N N . GLN F 41 ? 0.4316 0.7837 0.8542 -0.0581 0.0236 -0.2109 49 GLN D N 3317 C CA . GLN F 41 ? 0.4610 0.8061 0.8846 -0.0628 0.0147 -0.2215 49 GLN D CA 3318 C C . GLN F 41 ? 0.4366 0.7877 0.8994 -0.0769 0.0133 -0.2410 49 GLN D C 3319 O O . GLN F 41 ? 0.4412 0.7762 0.9085 -0.0905 0.0170 -0.2457 49 GLN D O 3320 C CB . GLN F 41 ? 0.5157 0.8712 0.9193 -0.0394 -0.0119 -0.2265 49 GLN D CB 3321 C CG . GLN F 41 ? 0.5665 0.9133 0.9269 -0.0241 -0.0126 -0.2056 49 GLN D CG 3322 C CD . GLN F 41 ? 0.6175 0.9664 0.9498 -0.0020 -0.0379 -0.2081 49 GLN D CD 3323 O OE1 . GLN F 41 ? 0.6693 1.0221 1.0124 -0.0012 -0.0529 -0.2261 49 GLN D OE1 3324 N NE2 . GLN F 41 ? 0.6069 0.9484 0.8977 0.0165 -0.0422 -0.1880 49 GLN D NE2 3325 N N . GLY F 42 ? 0.3990 0.7721 0.8896 -0.0737 0.0082 -0.2512 50 GLY D N 3326 C CA . GLY F 42 ? 0.3793 0.7621 0.9087 -0.0854 0.0056 -0.2694 50 GLY D CA 3327 C C . GLY F 42 ? 0.3779 0.7434 0.9201 -0.1088 0.0293 -0.2631 50 GLY D C 3328 O O . GLY F 42 ? 0.3205 0.6800 0.8828 -0.1219 0.0294 -0.2732 50 GLY D O 3329 N N . GLN F 43 ? 0.4212 0.7772 0.9487 -0.1132 0.0489 -0.2449 51 GLN D N 3330 C CA . GLN F 43 ? 0.4726 0.8101 1.0024 -0.1327 0.0715 -0.2340 51 GLN D CA 3331 C C . GLN F 43 ? 0.4503 0.7563 0.9529 -0.1417 0.0794 -0.2219 51 GLN D C 3332 O O . GLN F 43 ? 0.4623 0.7530 0.9737 -0.1575 0.0890 -0.2196 51 GLN D O 3333 C CB . GLN F 43 ? 0.5453 0.8810 1.0608 -0.1319 0.0875 -0.2176 51 GLN D CB 3334 C CG . GLN F 43 ? 0.6180 0.9434 1.1410 -0.1490 0.1072 -0.2089 51 GLN D CG 3335 C CD . GLN F 43 ? 0.6611 1.0101 1.2307 -0.1559 0.1046 -0.2258 51 GLN D CD 3336 O OE1 . GLN F 43 ? 0.6735 1.0196 1.2642 -0.1683 0.1045 -0.2332 51 GLN D OE1 3337 N NE2 . GLN F 43 ? 0.6820 1.0542 1.2682 -0.1477 0.1022 -0.2313 51 GLN D NE2 3338 N N . PHE F 44 ? 0.4068 0.7034 0.8760 -0.1309 0.0749 -0.2128 52 PHE D N 3339 C CA . PHE F 44 ? 0.3821 0.6498 0.8235 -0.1370 0.0801 -0.2013 52 PHE D CA 3340 C C . PHE F 44 ? 0.4148 0.6802 0.8786 -0.1432 0.0680 -0.2195 52 PHE D C 3341 O O . PHE F 44 ? 0.4546 0.6957 0.9168 -0.1578 0.0783 -0.2131 52 PHE D O 3342 C CB . PHE F 44 ? 0.3198 0.5859 0.7267 -0.1216 0.0732 -0.1919 52 PHE D CB 3343 C CG . PHE F 44 ? 0.3244 0.5587 0.6971 -0.1277 0.0817 -0.1754 52 PHE D CG 3344 C CD1 . PHE F 44 ? 0.3446 0.5502 0.6847 -0.1357 0.1022 -0.1487 52 PHE D CD1 3345 C CD2 . PHE F 44 ? 0.3349 0.5669 0.7042 -0.1234 0.0667 -0.1858 52 PHE D CD2 3346 C CE1 . PHE F 44 ? 0.3455 0.5193 0.6500 -0.1394 0.1091 -0.1305 52 PHE D CE1 3347 C CE2 . PHE F 44 ? 0.3538 0.5542 0.6912 -0.1296 0.0756 -0.1697 52 PHE D CE2 3348 C CZ . PHE F 44 ? 0.3432 0.5137 0.6476 -0.1376 0.0980 -0.1406 52 PHE D CZ 3349 N N . ALA F 45 ? 0.4146 0.7044 0.8968 -0.1305 0.0447 -0.2413 53 ALA D N 3350 C CA . ALA F 45 ? 0.4502 0.7381 0.9495 -0.1330 0.0293 -0.2605 53 ALA D CA 3351 C C . ALA F 45 ? 0.5069 0.7923 1.0406 -0.1508 0.0376 -0.2677 53 ALA D C 3352 O O . ALA F 45 ? 0.5355 0.8045 1.0766 -0.1599 0.0348 -0.2745 53 ALA D O 3353 C CB . ALA F 45 ? 0.4213 0.7375 0.9278 -0.1127 0.0014 -0.2802 53 ALA D CB 3354 N N . LYS F 46 ? 0.5413 0.8426 1.0957 -0.1552 0.0473 -0.2658 54 LYS D N 3355 C CA . LYS F 46 ? 0.6089 0.9125 1.1979 -0.1712 0.0540 -0.2724 54 LYS D CA 3356 C C . LYS F 46 ? 0.6269 0.9035 1.2040 -0.1881 0.0778 -0.2509 54 LYS D C 3357 O O . LYS F 46 ? 0.6616 0.9273 1.2566 -0.2022 0.0817 -0.2531 54 LYS D O 3358 C CB . LYS F 46 ? 0.6508 0.9861 1.2697 -0.1678 0.0516 -0.2816 54 LYS D CB 3359 C CG . LYS F 46 ? 0.6945 1.0578 1.3334 -0.1538 0.0263 -0.3046 54 LYS D CG 3360 C CD . LYS F 46 ? 0.7338 1.1249 1.4112 -0.1565 0.0253 -0.3148 54 LYS D CD 3361 C CE . LYS F 46 ? 0.7738 1.1606 1.4835 -0.1763 0.0324 -0.3209 54 LYS D CE 3362 N NZ . LYS F 46 ? 0.7929 1.1762 1.5144 -0.1780 0.0151 -0.3387 54 LYS D NZ 3363 N N . GLU F 47 ? 0.6121 0.8781 1.1572 -0.1857 0.0924 -0.2292 55 GLU D N 3364 C CA . GLU F 47 ? 0.6486 0.8901 1.1752 -0.1985 0.1126 -0.2060 55 GLU D CA 3365 C C . GLU F 47 ? 0.6164 0.8247 1.1073 -0.2002 0.1162 -0.1904 55 GLU D C 3366 O O . GLU F 47 ? 0.6259 0.8143 1.1181 -0.2121 0.1221 -0.1833 55 GLU D O 3367 C CB . GLU F 47 ? 0.7213 0.9675 1.2289 -0.1947 0.1255 -0.1896 55 GLU D CB 3368 C CG . GLU F 47 ? 0.8188 1.0937 1.3606 -0.1957 0.1266 -0.2006 55 GLU D CG 3369 C CD . GLU F 47 ? 0.8876 1.1616 1.4098 -0.1951 0.1416 -0.1827 55 GLU D CD 3370 O OE1 . GLU F 47 ? 0.9122 1.1623 1.4001 -0.1990 0.1525 -0.1607 55 GLU D OE1 3371 O OE2 . GLU F 47 ? 0.9080 1.2054 1.4484 -0.1900 0.1411 -0.1905 55 GLU D OE2 3372 N N . VAL F 48 ? 0.5602 0.7630 1.0196 -0.1878 0.1121 -0.1843 56 VAL D N 3373 C CA . VAL F 48 ? 0.5396 0.7103 0.9589 -0.1881 0.1179 -0.1646 56 VAL D CA 3374 C C . VAL F 48 ? 0.5215 0.6779 0.9473 -0.1907 0.1071 -0.1765 56 VAL D C 3375 O O . VAL F 48 ? 0.5211 0.6505 0.9363 -0.2000 0.1144 -0.1641 56 VAL D O 3376 C CB . VAL F 48 ? 0.5592 0.7292 0.9420 -0.1741 0.1174 -0.1530 56 VAL D CB 3377 C CG1 . VAL F 48 ? 0.5647 0.7007 0.9037 -0.1740 0.1236 -0.1302 56 VAL D CG1 3378 C CG2 . VAL F 48 ? 0.5718 0.7526 0.9460 -0.1706 0.1268 -0.1416 56 VAL D CG2 3379 N N . LEU F 49 ? 0.5253 0.7004 0.9672 -0.1810 0.0877 -0.2003 57 LEU D N 3380 C CA . LEU F 49 ? 0.5336 0.6952 0.9767 -0.1800 0.0736 -0.2139 57 LEU D CA 3381 C C . LEU F 49 ? 0.5661 0.7133 1.0338 -0.1945 0.0758 -0.2199 57 LEU D C 3382 O O . LEU F 49 ? 0.5273 0.6450 0.9809 -0.1991 0.0772 -0.2140 57 LEU D O 3383 C CB . LEU F 49 ? 0.5139 0.7046 0.9709 -0.1641 0.0475 -0.2407 57 LEU D CB 3384 C CG . LEU F 49 ? 0.4726 0.6772 0.9028 -0.1468 0.0399 -0.2360 57 LEU D CG 3385 C CD1 . LEU F 49 ? 0.4618 0.6919 0.8977 -0.1274 0.0096 -0.2603 57 LEU D CD1 3386 C CD2 . LEU F 49 ? 0.4672 0.6403 0.8553 -0.1483 0.0505 -0.2143 57 LEU D CD2 3387 N N . PRO F 50 ? 0.6298 0.7974 1.1348 -0.2015 0.0757 -0.2314 58 PRO D N 3388 C CA . PRO F 50 ? 0.6950 0.8507 1.2256 -0.2165 0.0785 -0.2358 58 PRO D CA 3389 C C . PRO F 50 ? 0.7567 0.8830 1.2673 -0.2285 0.0988 -0.2075 58 PRO D C 3390 O O . PRO F 50 ? 0.8133 0.9216 1.3356 -0.2395 0.1004 -0.2071 58 PRO D O 3391 C CB . PRO F 50 ? 0.6851 0.8723 1.2558 -0.2205 0.0766 -0.2497 58 PRO D CB 3392 C CG . PRO F 50 ? 0.6518 0.8684 1.2226 -0.2041 0.0636 -0.2623 58 PRO D CG 3393 C CD . PRO F 50 ? 0.6284 0.8322 1.1560 -0.1950 0.0704 -0.2431 58 PRO D CD 3394 N N . LYS F 51 ? 0.7533 0.8757 1.2326 -0.2254 0.1123 -0.1837 59 LYS D N 3395 C CA . LYS F 51 ? 0.7819 0.8812 1.2377 -0.2337 0.1283 -0.1550 59 LYS D CA 3396 C C . LYS F 51 ? 0.7636 0.8320 1.1758 -0.2282 0.1306 -0.1356 59 LYS D C 3397 O O . LYS F 51 ? 0.7904 0.8360 1.1911 -0.2353 0.1368 -0.1187 59 LYS D O 3398 C CB . LYS F 51 ? 0.8182 0.9316 1.2629 -0.2326 0.1398 -0.1392 59 LYS D CB 3399 C CG . LYS F 51 ? 0.8925 1.0332 1.3786 -0.2401 0.1410 -0.1531 59 LYS D CG 3400 C CD . LYS F 51 ? 0.9363 1.0859 1.4092 -0.2407 0.1536 -0.1349 59 LYS D CD 3401 C CE . LYS F 51 ? 0.9435 1.0987 1.3858 -0.2258 0.1535 -0.1289 59 LYS D CE 3402 N NZ . LYS F 51 ? 0.9583 1.1260 1.3944 -0.2256 0.1633 -0.1170 59 LYS D NZ 3403 N N . TYR F 52 ? 0.6997 0.7689 1.0884 -0.2153 0.1250 -0.1373 60 TYR D N 3404 C CA . TYR F 52 ? 0.6990 0.7405 1.0425 -0.2088 0.1283 -0.1157 60 TYR D CA 3405 C C . TYR F 52 ? 0.6420 0.6712 0.9811 -0.2028 0.1162 -0.1305 60 TYR D C 3406 O O . TYR F 52 ? 0.6454 0.6461 0.9532 -0.2002 0.1188 -0.1146 60 TYR D O 3407 C CB . TYR F 52 ? 0.7372 0.7847 1.0454 -0.1981 0.1338 -0.0973 60 TYR D CB 3408 C CG . TYR F 52 ? 0.8206 0.8745 1.1224 -0.2016 0.1436 -0.0789 60 TYR D CG 3409 C CD1 . TYR F 52 ? 0.8388 0.9123 1.1352 -0.1950 0.1458 -0.0772 60 TYR D CD1 3410 C CD2 . TYR F 52 ? 0.8785 0.9200 1.1803 -0.2113 0.1490 -0.0638 60 TYR D CD2 3411 C CE1 . TYR F 52 ? 0.8672 0.9468 1.1582 -0.1978 0.1530 -0.0622 60 TYR D CE1 3412 C CE2 . TYR F 52 ? 0.9032 0.9539 1.2004 -0.2145 0.1555 -0.0481 60 TYR D CE2 3413 C CZ . TYR F 52 ? 0.9013 0.9706 1.1929 -0.2076 0.1574 -0.0479 60 TYR D CZ 3414 O OH . TYR F 52 ? 0.9344 1.0098 1.2260 -0.2123 0.1700 -0.0404 60 TYR D OH 3415 N N . PHE F 53 ? 0.5910 0.6430 0.9593 -0.1988 0.1006 -0.1609 61 PHE D N 3416 C CA . PHE F 53 ? 0.5796 0.6239 0.9422 -0.1902 0.0836 -0.1788 61 PHE D CA 3417 C C . PHE F 53 ? 0.6176 0.6768 1.0200 -0.1910 0.0649 -0.2115 61 PHE D C 3418 O O . PHE F 53 ? 0.5908 0.6783 1.0059 -0.1795 0.0459 -0.2346 61 PHE D O 3419 C CB . PHE F 53 ? 0.4923 0.5540 0.8347 -0.1756 0.0749 -0.1822 61 PHE D CB 3420 C CG . PHE F 53 ? 0.4601 0.5096 0.7621 -0.1739 0.0929 -0.1498 61 PHE D CG 3421 C CD1 . PHE F 53 ? 0.4513 0.4665 0.7115 -0.1715 0.0995 -0.1287 61 PHE D CD1 3422 C CD2 . PHE F 53 ? 0.4369 0.5078 0.7390 -0.1724 0.1020 -0.1396 61 PHE D CD2 3423 C CE1 . PHE F 53 ? 0.4302 0.4349 0.6477 -0.1662 0.1133 -0.0966 61 PHE D CE1 3424 C CE2 . PHE F 53 ? 0.3962 0.4550 0.6559 -0.1673 0.1150 -0.1098 61 PHE D CE2 3425 C CZ . PHE F 53 ? 0.4069 0.4338 0.6236 -0.1633 0.1194 -0.0879 61 PHE D CZ 3426 N N . LYS F 54 ? 0.6842 0.7249 1.1034 -0.2029 0.0691 -0.2119 62 LYS D N 3427 C CA . LYS F 54 ? 0.7198 0.7736 1.1791 -0.2068 0.0550 -0.2395 62 LYS D CA 3428 C C . LYS F 54 ? 0.6692 0.7332 1.1290 -0.1918 0.0285 -0.2684 62 LYS D C 3429 O O . LYS F 54 ? 0.6435 0.7344 1.1334 -0.1892 0.0135 -0.2923 62 LYS D O 3430 C CB . LYS F 54 ? 0.8123 0.8373 1.2818 -0.2211 0.0636 -0.2324 62 LYS D CB 3431 C CG . LYS F 54 ? 0.8828 0.8693 1.3200 -0.2175 0.0641 -0.2223 62 LYS D CG 3432 C CD . LYS F 54 ? 0.9469 0.9070 1.3980 -0.2306 0.0705 -0.2172 62 LYS D CD 3433 C CE . LYS F 54 ? 0.9779 0.9480 1.4680 -0.2341 0.0544 -0.2489 62 LYS D CE 3434 N NZ . LYS F 54 ? 1.0172 0.9587 1.5197 -0.2459 0.0594 -0.2452 62 LYS D NZ 3435 N N . HIS F 55 ? 0.6352 0.6782 1.0586 -0.1806 0.0219 -0.2655 63 HIS D N 3436 C CA . HIS F 55 ? 0.6339 0.6815 1.0488 -0.1639 -0.0043 -0.2910 63 HIS D CA 3437 C C . HIS F 55 ? 0.5674 0.6445 0.9625 -0.1427 -0.0216 -0.2989 63 HIS D C 3438 O O . HIS F 55 ? 0.5393 0.6149 0.9076 -0.1238 -0.0415 -0.3107 63 HIS D O 3439 C CB . HIS F 55 ? 0.7026 0.7078 1.0863 -0.1609 -0.0041 -0.2852 63 HIS D CB 3440 C CG . HIS F 55 ? 0.7960 0.7751 1.2007 -0.1771 0.0053 -0.2838 63 HIS D CG 3441 N ND1 . HIS F 55 ? 0.8515 0.8413 1.2904 -0.1814 -0.0068 -0.3080 63 HIS D ND1 3442 C CD2 . HIS F 55 ? 0.8344 0.7780 1.2298 -0.1893 0.0248 -0.2599 63 HIS D CD2 3443 C CE1 . HIS F 55 ? 0.8902 0.8517 1.3416 -0.1961 0.0049 -0.3004 63 HIS D CE1 3444 N NE2 . HIS F 55 ? 0.8865 0.8204 1.3115 -0.2003 0.0237 -0.2707 63 HIS D NE2 3445 N N . ASN F 56 ? 0.5072 0.6119 0.9129 -0.1438 -0.0145 -0.2911 64 ASN D N 3446 C CA . ASN F 56 ? 0.4890 0.6241 0.8776 -0.1228 -0.0309 -0.2963 64 ASN D CA 3447 C C . ASN F 56 ? 0.4515 0.6286 0.8746 -0.1215 -0.0345 -0.3052 64 ASN D C 3448 O O . ASN F 56 ? 0.4778 0.6586 0.9281 -0.1381 -0.0160 -0.2974 64 ASN D O 3449 C CB . ASN F 56 ? 0.4551 0.5780 0.8080 -0.1204 -0.0185 -0.2727 64 ASN D CB 3450 C CG . ASN F 56 ? 0.5148 0.5948 0.8240 -0.1160 -0.0160 -0.2609 64 ASN D CG 3451 O OD1 . ASN F 56 ? 0.5761 0.6242 0.8720 -0.1298 0.0079 -0.2357 64 ASN D OD1 3452 N ND2 . ASN F 56 ? 0.5120 0.5907 0.7922 -0.0931 -0.0394 -0.2732 64 ASN D ND2 3453 N N . ASN F 57 ? 0.4196 0.6271 0.8381 -0.1000 -0.0580 -0.3197 65 ASN D N 3454 C CA . ASN F 57 ? 0.4077 0.6530 0.8463 -0.0936 -0.0602 -0.3211 65 ASN D CA 3455 C C . ASN F 57 ? 0.3575 0.6092 0.7625 -0.0795 -0.0594 -0.3035 65 ASN D C 3456 O O . ASN F 57 ? 0.3292 0.5570 0.6977 -0.0758 -0.0584 -0.2927 65 ASN D O 3457 C CB . ASN F 57 ? 0.4218 0.6966 0.8754 -0.0785 -0.0840 -0.3428 65 ASN D CB 3458 C CG . ASN F 57 ? 0.4231 0.6988 0.8376 -0.0532 -0.1071 -0.3476 65 ASN D CG 3459 O OD1 . ASN F 57 ? 0.3880 0.6476 0.7619 -0.0430 -0.1074 -0.3337 65 ASN D OD1 3460 N ND2 . ASN F 57 ? 0.4542 0.7490 0.8792 -0.0425 -0.1258 -0.3660 65 ASN D ND2 3461 N N . MET F 58 ? 0.3437 0.6253 0.7591 -0.0712 -0.0596 -0.2999 66 MET D N 3462 C CA . MET F 58 ? 0.3087 0.5966 0.6939 -0.0582 -0.0575 -0.2812 66 MET D CA 3463 C C . MET F 58 ? 0.3056 0.5885 0.6442 -0.0334 -0.0788 -0.2789 66 MET D C 3464 O O . MET F 58 ? 0.2945 0.5590 0.5942 -0.0281 -0.0733 -0.2597 66 MET D O 3465 C CB . MET F 58 ? 0.3142 0.6332 0.7152 -0.0486 -0.0579 -0.2788 66 MET D CB 3466 C CG . MET F 58 ? 0.2761 0.5982 0.6526 -0.0404 -0.0483 -0.2563 66 MET D CG 3467 S SD . MET F 58 ? 0.3851 0.6807 0.7589 -0.0671 -0.0139 -0.2356 66 MET D SD 3468 C CE . MET F 58 ? 0.6632 0.9610 1.0808 -0.0884 0.0050 -0.2414 66 MET D CE 3469 N N . ALA F 59 ? 0.3465 0.6399 0.6819 -0.0170 -0.1000 -0.2936 67 ALA D N 3470 C CA . ALA F 59 ? 0.3624 0.6494 0.6498 0.0091 -0.1181 -0.2882 67 ALA D CA 3471 C C . ALA F 59 ? 0.3599 0.6105 0.6138 0.0051 -0.1149 -0.2824 67 ALA D C 3472 O O . ALA F 59 ? 0.3512 0.5902 0.5568 0.0226 -0.1184 -0.2640 67 ALA D O 3473 C CB . ALA F 59 ? 0.3838 0.6853 0.6791 0.0214 -0.1364 -0.3061 67 ALA D CB 3474 N N . SER F 60 ? 0.3505 0.5790 0.6270 -0.0170 -0.1067 -0.2953 68 SER D N 3475 C CA . SER F 60 ? 0.3784 0.5657 0.6225 -0.0208 -0.1020 -0.2901 68 SER D CA 3476 C C . SER F 60 ? 0.3771 0.5344 0.6007 -0.0328 -0.0730 -0.2573 68 SER D C 3477 O O . SER F 60 ? 0.3374 0.4598 0.5156 -0.0263 -0.0656 -0.2366 68 SER D O 3478 C CB . SER F 60 ? 0.4144 0.5823 0.6849 -0.0367 -0.1004 -0.3080 68 SER D CB 3479 O OG . SER F 60 ? 0.4158 0.5805 0.7328 -0.0652 -0.0808 -0.3100 68 SER D OG 3480 N N . PHE F 61 ? 0.3169 0.4885 0.5723 -0.0492 -0.0557 -0.2508 69 PHE D N 3481 C CA . PHE F 61 ? 0.3023 0.4511 0.5360 -0.0588 -0.0280 -0.2177 69 PHE D CA 3482 C C . PHE F 61 ? 0.2912 0.4387 0.4705 -0.0332 -0.0329 -0.1932 69 PHE D C 3483 O O . PHE F 61 ? 0.2815 0.3965 0.4179 -0.0316 -0.0192 -0.1658 69 PHE D O 3484 C CB . PHE F 61 ? 0.2888 0.4605 0.5679 -0.0784 -0.0111 -0.2187 69 PHE D CB 3485 C CG . PHE F 61 ? 0.2896 0.4446 0.5456 -0.0866 0.0160 -0.1865 69 PHE D CG 3486 C CD1 . PHE F 61 ? 0.3042 0.4251 0.5562 -0.1086 0.0403 -0.1703 69 PHE D CD1 3487 C CD2 . PHE F 61 ? 0.2826 0.4572 0.5229 -0.0728 0.0170 -0.1729 69 PHE D CD2 3488 C CE1 . PHE F 61 ? 0.3110 0.4190 0.5411 -0.1168 0.0647 -0.1412 69 PHE D CE1 3489 C CE2 . PHE F 61 ? 0.3017 0.4616 0.5207 -0.0808 0.0413 -0.1454 69 PHE D CE2 3490 C CZ . PHE F 61 ? 0.3115 0.4390 0.5244 -0.1030 0.0651 -0.1297 69 PHE D CZ 3491 N N . VAL F 62 ? 0.2706 0.4545 0.4531 -0.0131 -0.0529 -0.2026 70 VAL D N 3492 C CA . VAL F 62 ? 0.2790 0.4662 0.4147 0.0123 -0.0600 -0.1806 70 VAL D CA 3493 C C . VAL F 62 ? 0.2657 0.4291 0.3522 0.0305 -0.0725 -0.1740 70 VAL D C 3494 O O . VAL F 62 ? 0.2564 0.4003 0.2949 0.0427 -0.0669 -0.1459 70 VAL D O 3495 C CB . VAL F 62 ? 0.2971 0.5311 0.4530 0.0296 -0.0797 -0.1930 70 VAL D CB 3496 C CG1 . VAL F 62 ? 0.3336 0.5710 0.4410 0.0583 -0.0915 -0.1720 70 VAL D CG1 3497 C CG2 . VAL F 62 ? 0.2953 0.5497 0.4930 0.0138 -0.0637 -0.1935 70 VAL D CG2 3498 N N . ARG F 63 ? 0.2884 0.4527 0.3866 0.0318 -0.0888 -0.1998 71 ARG D N 3499 C CA . ARG F 63 ? 0.3038 0.4446 0.3571 0.0482 -0.0992 -0.1956 71 ARG D CA 3500 C C . ARG F 63 ? 0.3198 0.4122 0.3464 0.0353 -0.0756 -0.1719 71 ARG D C 3501 O O . ARG F 63 ? 0.3170 0.3883 0.2948 0.0513 -0.0770 -0.1528 71 ARG D O 3502 C CB . ARG F 63 ? 0.4084 0.5601 0.4822 0.0507 -0.1208 -0.2311 71 ARG D CB 3503 C CG . ARG F 63 ? 0.4451 0.6339 0.5306 0.0702 -0.1355 -0.2333 71 ARG D CG 3504 C CD . ARG F 63 ? 0.5133 0.7040 0.6032 0.0783 -0.1488 -0.2506 71 ARG D CD 3505 N NE . ARG F 63 ? 0.6285 0.8194 0.7639 0.0555 -0.1494 -0.2800 71 ARG D NE 3506 C CZ . ARG F 63 ? 0.6958 0.9157 0.8762 0.0481 -0.1540 -0.2983 71 ARG D CZ 3507 N NH1 . ARG F 63 ? 0.7175 0.9672 0.9017 0.0619 -0.1591 -0.2923 71 ARG D NH1 3508 N NH2 . ARG F 63 ? 0.7082 0.9238 0.9290 0.0267 -0.1515 -0.3204 71 ARG D NH2 3509 N N . GLN F 64 ? 0.3161 0.3926 0.3749 0.0070 -0.0539 -0.1716 72 GLN D N 3510 C CA . GLN F 64 ? 0.3215 0.3548 0.3567 -0.0063 -0.0299 -0.1455 72 GLN D CA 3511 C C . GLN F 64 ? 0.2974 0.3245 0.2930 0.0014 -0.0170 -0.1096 72 GLN D C 3512 O O . GLN F 64 ? 0.2996 0.2954 0.2530 0.0059 -0.0079 -0.0844 72 GLN D O 3513 C CB . GLN F 64 ? 0.3812 0.4033 0.4620 -0.0389 -0.0091 -0.1512 72 GLN D CB 3514 C CG . GLN F 64 ? 0.5086 0.5261 0.6271 -0.0503 -0.0180 -0.1829 72 GLN D CG 3515 C CD . GLN F 64 ? 0.6417 0.6147 0.7386 -0.0538 -0.0111 -0.1753 72 GLN D CD 3516 O OE1 . GLN F 64 ? 0.6741 0.6189 0.7318 -0.0516 0.0038 -0.1441 72 GLN D OE1 3517 N NE2 . GLN F 64 ? 0.7230 0.6897 0.8469 -0.0596 -0.0219 -0.2041 72 GLN D NE2 3518 N N . LEU F 65 ? 0.2754 0.3319 0.2857 0.0023 -0.0157 -0.1073 73 LEU D N 3519 C CA . LEU F 65 ? 0.2536 0.3060 0.2264 0.0113 -0.0060 -0.0758 73 LEU D CA 3520 C C . LEU F 65 ? 0.2505 0.2995 0.1731 0.0407 -0.0235 -0.0634 73 LEU D C 3521 O O . LEU F 65 ? 0.2445 0.2697 0.1237 0.0464 -0.0140 -0.0338 73 LEU D O 3522 C CB . LEU F 65 ? 0.2323 0.3194 0.2318 0.0104 -0.0047 -0.0793 73 LEU D CB 3523 C CG . LEU F 65 ? 0.2319 0.3246 0.2777 -0.0184 0.0163 -0.0864 73 LEU D CG 3524 C CD1 . LEU F 65 ? 0.2297 0.3601 0.3024 -0.0148 0.0142 -0.0930 73 LEU D CD1 3525 C CD2 . LEU F 65 ? 0.2361 0.2959 0.2623 -0.0375 0.0447 -0.0589 73 LEU D CD2 3526 N N . ASN F 66 ? 0.2552 0.3297 0.1840 0.0594 -0.0493 -0.0855 74 ASN D N 3527 C CA . ASN F 66 ? 0.2613 0.3351 0.1486 0.0867 -0.0651 -0.0731 74 ASN D CA 3528 C C . ASN F 66 ? 0.3073 0.3425 0.1645 0.0866 -0.0589 -0.0611 74 ASN D C 3529 O O . ASN F 66 ? 0.2900 0.3076 0.1427 0.0874 -0.0470 -0.0314 74 ASN D O 3530 C CB . ASN F 66 ? 0.2710 0.3722 0.1872 0.0989 -0.0827 -0.0923 74 ASN D CB 3531 C CG . ASN F 66 ? 0.3359 0.4223 0.2404 0.1109 -0.0761 -0.0707 74 ASN D CG 3532 O OD1 . ASN F 66 ? 0.2914 0.3741 0.1980 0.1094 -0.0632 -0.0520 74 ASN D OD1 3533 N ND2 . ASN F 66 ? 0.3722 0.4497 0.2689 0.1178 -0.0834 -0.0790 74 ASN D ND2 3534 N N . MET F 67 ? 0.2950 0.3143 0.1673 0.0727 -0.0572 -0.0830 75 MET D N 3535 C CA . MET F 67 ? 0.3159 0.2979 0.1607 0.0738 -0.0527 -0.0760 75 MET D CA 3536 C C . MET F 67 ? 0.3419 0.2912 0.1525 0.0675 -0.0299 -0.0375 75 MET D C 3537 O O . MET F 67 ? 0.3767 0.3038 0.1614 0.0752 -0.0274 -0.0196 75 MET D O 3538 C CB . MET F 67 ? 0.3416 0.3100 0.2268 0.0527 -0.0487 -0.1024 75 MET D CB 3539 C CG . MET F 67 ? 0.4615 0.3905 0.3238 0.0535 -0.0440 -0.0979 75 MET D CG 3540 S SD . MET F 67 ? 0.4552 0.3690 0.3705 0.0284 -0.0407 -0.1310 75 MET D SD 3541 C CE . MET F 67 ? 0.3866 0.2877 0.3330 -0.0052 -0.0097 -0.1114 75 MET D CE 3542 N N . TYR F 68 ? 0.2639 0.2344 0.1937 0.0029 -0.0128 -0.0299 76 TYR D N 3543 C CA . TYR F 68 ? 0.2891 0.2519 0.2183 0.0107 -0.0219 -0.0275 76 TYR D CA 3544 C C . TYR F 68 ? 0.2548 0.2363 0.1992 0.0136 -0.0253 -0.0278 76 TYR D C 3545 O O . TYR F 68 ? 0.2610 0.2391 0.2047 0.0182 -0.0332 -0.0257 76 TYR D O 3546 C CB . TYR F 68 ? 0.3196 0.2631 0.2253 0.0058 -0.0246 -0.0231 76 TYR D CB 3547 C CG . TYR F 68 ? 0.3181 0.2358 0.2058 0.0042 -0.0256 -0.0215 76 TYR D CG 3548 C CD1 . TYR F 68 ? 0.3327 0.2364 0.2250 0.0143 -0.0335 -0.0214 76 TYR D CD1 3549 C CD2 . TYR F 68 ? 0.3302 0.2373 0.1976 -0.0075 -0.0190 -0.0206 76 TYR D CD2 3550 C CE1 . TYR F 68 ? 0.3840 0.2599 0.2596 0.0135 -0.0358 -0.0198 76 TYR D CE1 3551 C CE2 . TYR F 68 ? 0.3577 0.2379 0.2058 -0.0105 -0.0204 -0.0187 76 TYR D CE2 3552 C CZ . TYR F 68 ? 0.3975 0.2600 0.2488 0.0004 -0.0294 -0.0179 76 TYR D CZ 3553 O OH . TYR F 68 ? 0.4426 0.2740 0.2740 -0.0020 -0.0322 -0.0159 76 TYR D OH 3554 N N . GLY F 69 ? 0.2485 0.2477 0.2044 0.0098 -0.0205 -0.0299 77 GLY D N 3555 C CA . GLY F 69 ? 0.2522 0.2667 0.2209 0.0110 -0.0238 -0.0302 77 GLY D CA 3556 C C . GLY F 69 ? 0.2490 0.2649 0.2136 0.0085 -0.0255 -0.0281 77 GLY D C 3557 O O . GLY F 69 ? 0.2531 0.2765 0.2249 0.0098 -0.0297 -0.0280 77 GLY D O 3558 N N . PHE F 70 ? 0.2254 0.2344 0.1792 0.0042 -0.0216 -0.0276 78 PHE D N 3559 C CA . PHE F 70 ? 0.2225 0.2353 0.1765 0.0019 -0.0209 -0.0286 78 PHE D CA 3560 C C . PHE F 70 ? 0.2538 0.2805 0.2233 0.0008 -0.0213 -0.0289 78 PHE D C 3561 O O . PHE F 70 ? 0.2858 0.3183 0.2605 -0.0019 -0.0198 -0.0281 78 PHE D O 3562 C CB . PHE F 70 ? 0.2313 0.2389 0.1745 -0.0038 -0.0144 -0.0304 78 PHE D CB 3563 C CG . PHE F 70 ? 0.2519 0.2423 0.1740 -0.0061 -0.0151 -0.0295 78 PHE D CG 3564 C CD1 . PHE F 70 ? 0.2651 0.2408 0.1757 -0.0053 -0.0177 -0.0262 78 PHE D CD1 3565 C CD2 . PHE F 70 ? 0.2939 0.2805 0.2060 -0.0101 -0.0135 -0.0321 78 PHE D CD2 3566 C CE1 . PHE F 70 ? 0.2894 0.2450 0.1774 -0.0085 -0.0211 -0.0235 78 PHE D CE1 3567 C CE2 . PHE F 70 ? 0.3282 0.2963 0.2156 -0.0154 -0.0152 -0.0302 78 PHE D CE2 3568 C CZ . PHE F 70 ? 0.3243 0.2757 0.1987 -0.0147 -0.0201 -0.0249 78 PHE D CZ 3569 N N . ARG F 71 ? 0.2053 0.2349 0.1800 0.0019 -0.0241 -0.0300 79 ARG D N 3570 C CA . ARG F 71 ? 0.1967 0.2347 0.1844 0.0008 -0.0268 -0.0294 79 ARG D CA 3571 C C . ARG F 71 ? 0.2300 0.2694 0.2238 0.0012 -0.0247 -0.0331 79 ARG D C 3572 O O . ARG F 71 ? 0.2338 0.2690 0.2203 0.0011 -0.0197 -0.0373 79 ARG D O 3573 C CB . ARG F 71 ? 0.2172 0.2564 0.2084 0.0016 -0.0330 -0.0281 79 ARG D CB 3574 C CG . ARG F 71 ? 0.2859 0.3285 0.2762 0.0013 -0.0338 -0.0269 79 ARG D CG 3575 C CD . ARG F 71 ? 0.3162 0.3660 0.3127 -0.0030 -0.0378 -0.0256 79 ARG D CD 3576 N NE . ARG F 71 ? 0.3873 0.4444 0.3866 -0.0036 -0.0361 -0.0274 79 ARG D NE 3577 C CZ . ARG F 71 ? 0.4608 0.5267 0.4654 -0.0072 -0.0384 -0.0285 79 ARG D CZ 3578 N NH1 . ARG F 71 ? 0.4874 0.5526 0.4914 -0.0114 -0.0435 -0.0266 79 ARG D NH1 3579 N NH2 . ARG F 71 ? 0.4704 0.5461 0.4819 -0.0070 -0.0352 -0.0327 79 ARG D NH2 3580 N N . LYS F 72 ? 0.2108 0.2561 0.2182 0.0010 -0.0289 -0.0319 80 LYS D N 3581 C CA . LYS F 72 ? 0.2188 0.2679 0.2396 0.0036 -0.0284 -0.0367 80 LYS D CA 3582 C C . LYS F 72 ? 0.1993 0.2431 0.2270 0.0074 -0.0346 -0.0380 80 LYS D C 3583 O O . LYS F 72 ? 0.2289 0.2688 0.2543 0.0057 -0.0419 -0.0325 80 LYS D O 3584 C CB . LYS F 72 ? 0.2838 0.3419 0.3175 0.0015 -0.0315 -0.0340 80 LYS D CB 3585 C CG . LYS F 72 ? 0.3880 0.4545 0.4408 0.0051 -0.0301 -0.0407 80 LYS D CG 3586 C CD . LYS F 72 ? 0.4515 0.5289 0.5173 0.0023 -0.0346 -0.0374 80 LYS D CD 3587 C CE . LYS F 72 ? 0.5065 0.5797 0.5756 0.0005 -0.0483 -0.0281 80 LYS D CE 3588 N NZ . LYS F 72 ? 0.5480 0.6154 0.5964 -0.0072 -0.0479 -0.0214 80 LYS D NZ 3589 N N . VAL F 73 ? 0.2055 0.2488 0.2406 0.0111 -0.0308 -0.0463 81 VAL D N 3590 C CA . VAL F 73 ? 0.2163 0.2519 0.2581 0.0151 -0.0359 -0.0494 81 VAL D CA 3591 C C . VAL F 73 ? 0.2403 0.2800 0.3068 0.0206 -0.0409 -0.0523 81 VAL D C 3592 O O . VAL F 73 ? 0.2195 0.2694 0.2997 0.0232 -0.0341 -0.0605 81 VAL D O 3593 C CB . VAL F 73 ? 0.2231 0.2528 0.2550 0.0151 -0.0279 -0.0585 81 VAL D CB 3594 C CG1 . VAL F 73 ? 0.2685 0.2878 0.3055 0.0183 -0.0330 -0.0623 81 VAL D CG1 3595 C CG2 . VAL F 73 ? 0.2239 0.2493 0.2323 0.0099 -0.0255 -0.0545 81 VAL D CG2 3596 N N . VAL F 74 ? 0.2190 0.2509 0.2917 0.0218 -0.0537 -0.0458 82 VAL D N 3597 C CA . VAL F 74 ? 0.2242 0.2576 0.3214 0.0276 -0.0629 -0.0462 82 VAL D CA 3598 C C . VAL F 74 ? 0.2394 0.2560 0.3435 0.0325 -0.0732 -0.0470 82 VAL D C 3599 O O . VAL F 74 ? 0.2481 0.2523 0.3351 0.0288 -0.0743 -0.0449 82 VAL D O 3600 C CB . VAL F 74 ? 0.2635 0.3007 0.3610 0.0222 -0.0729 -0.0344 82 VAL D CB 3601 C CG1 . VAL F 74 ? 0.2898 0.3416 0.3807 0.0171 -0.0628 -0.0344 82 VAL D CG1 3602 C CG2 . VAL F 74 ? 0.3281 0.3525 0.4059 0.0139 -0.0816 -0.0236 82 VAL D CG2 3603 N N . HIS F 75 ? 0.3041 0.3204 0.4348 0.0411 -0.0815 -0.0503 83 HIS D N 3604 C CA . HIS F 75 ? 0.3447 0.3411 0.4836 0.0469 -0.0933 -0.0510 83 HIS D CA 3605 C C . HIS F 75 ? 0.3336 0.3131 0.4558 0.0384 -0.1099 -0.0350 83 HIS D C 3606 O O . HIS F 75 ? 0.3195 0.3050 0.4333 0.0303 -0.1149 -0.0241 83 HIS D O 3607 C CB . HIS F 75 ? 0.4502 0.4508 0.6264 0.0600 -0.0997 -0.0592 83 HIS D CB 3608 C CG . HIS F 75 ? 0.5350 0.5473 0.7286 0.0678 -0.0829 -0.0790 83 HIS D CG 3609 N ND1 . HIS F 75 ? 0.5697 0.6040 0.7616 0.0641 -0.0654 -0.0869 83 HIS D ND1 3610 C CD2 . HIS F 75 ? 0.5839 0.5876 0.7948 0.0774 -0.0801 -0.0936 83 HIS D CD2 3611 C CE1 . HIS F 75 ? 0.5957 0.6360 0.8020 0.0696 -0.0519 -0.1054 83 HIS D CE1 3612 N NE2 . HIS F 75 ? 0.6074 0.6302 0.8266 0.0783 -0.0599 -0.1106 83 HIS D NE2 3613 N N . ILE F 76 ? 0.3447 0.3020 0.4596 0.0383 -0.1175 -0.0343 84 ILE D N 3614 C CA . ILE F 76 ? 0.4272 0.3656 0.5245 0.0281 -0.1336 -0.0199 84 ILE D CA 3615 C C . ILE F 76 ? 0.5087 0.4346 0.6244 0.0333 -0.1541 -0.0129 84 ILE D C 3616 O O . ILE F 76 ? 0.5544 0.4817 0.6635 0.0247 -0.1646 -0.0004 84 ILE D O 3617 C CB . ILE F 76 ? 0.4186 0.3361 0.4984 0.0238 -0.1347 -0.0213 84 ILE D CB 3618 C CG1 . ILE F 76 ? 0.3914 0.3216 0.4522 0.0173 -0.1180 -0.0258 84 ILE D CG1 3619 C CG2 . ILE F 76 ? 0.4732 0.3686 0.5348 0.0117 -0.1525 -0.0068 84 ILE D CG2 3620 C CD1 . ILE F 76 ? 0.4081 0.3215 0.4525 0.0123 -0.1180 -0.0285 84 ILE D CD1 3621 N N . ASP F 88 ? 0.6642 0.8537 0.9028 0.0275 0.0202 -0.1380 96 ASP D N 3622 C CA . ASP F 88 ? 0.6493 0.8144 0.8499 0.0226 0.0268 -0.1362 96 ASP D CA 3623 C C . ASP F 88 ? 0.5928 0.7347 0.7651 0.0219 0.0130 -0.1158 96 ASP D C 3624 O O . ASP F 88 ? 0.6254 0.7583 0.8086 0.0308 -0.0029 -0.1071 96 ASP D O 3625 C CB . ASP F 88 ? 0.7046 0.8634 0.9201 0.0320 0.0295 -0.1496 96 ASP D CB 3626 C CG . ASP F 88 ? 0.7593 0.8941 0.9351 0.0253 0.0358 -0.1483 96 ASP D CG 3627 O OD1 . ASP F 88 ? 0.7875 0.9130 0.9268 0.0136 0.0395 -0.1390 96 ASP D OD1 3628 O OD2 . ASP F 88 ? 0.7714 0.8959 0.9529 0.0316 0.0364 -0.1568 96 ASP D OD2 3629 N N . THR F 89 ? 0.5082 0.6397 0.6437 0.0107 0.0192 -0.1089 97 THR D N 3630 C CA . THR F 89 ? 0.4148 0.5275 0.5251 0.0095 0.0088 -0.0922 97 THR D CA 3631 C C . THR F 89 ? 0.3384 0.4330 0.4141 0.0035 0.0152 -0.0912 97 THR D C 3632 O O . THR F 89 ? 0.3277 0.4222 0.3869 -0.0052 0.0278 -0.0984 97 THR D O 3633 C CB . THR F 89 ? 0.4770 0.5945 0.5801 0.0030 0.0054 -0.0818 97 THR D CB 3634 O OG1 . THR F 89 ? 0.5310 0.6581 0.6258 -0.0071 0.0188 -0.0887 97 THR D OG1 3635 C CG2 . THR F 89 ? 0.4729 0.6028 0.6050 0.0084 -0.0075 -0.0773 97 THR D CG2 3636 N N . GLU F 90 ? 0.2827 0.3618 0.3466 0.0070 0.0056 -0.0818 98 GLU D N 3637 C CA . GLU F 90 ? 0.2485 0.3113 0.2842 0.0030 0.0081 -0.0803 98 GLU D CA 3638 C C . GLU F 90 ? 0.2223 0.2757 0.2402 0.0013 0.0004 -0.0668 98 GLU D C 3639 O O . GLU F 90 ? 0.2601 0.3145 0.2874 0.0052 -0.0091 -0.0592 98 GLU D O 3640 C CB . GLU F 90 ? 0.2568 0.3115 0.2980 0.0087 0.0044 -0.0848 98 GLU D CB 3641 C CG . GLU F 90 ? 0.2740 0.3136 0.2877 0.0036 0.0065 -0.0849 98 GLU D CG 3642 C CD . GLU F 90 ? 0.3393 0.3703 0.3584 0.0083 0.0021 -0.0890 98 GLU D CD 3643 O OE1 . GLU F 90 ? 0.3310 0.3666 0.3756 0.0157 0.0000 -0.0948 98 GLU D OE1 3644 O OE2 . GLU F 90 ? 0.3817 0.4002 0.3800 0.0045 -0.0005 -0.0861 98 GLU D OE2 3645 N N . PHE F 91 ? 0.2310 0.2749 0.2235 -0.0051 0.0044 -0.0645 99 PHE D N 3646 C CA . PHE F 91 ? 0.2279 0.2628 0.2061 -0.0053 -0.0020 -0.0540 99 PHE D CA 3647 C C . PHE F 91 ? 0.2389 0.2601 0.1979 -0.0061 -0.0053 -0.0521 99 PHE D C 3648 O O . PHE F 91 ? 0.2531 0.2688 0.2011 -0.0102 -0.0006 -0.0582 99 PHE D O 3649 C CB . PHE F 91 ? 0.2318 0.2650 0.1982 -0.0113 0.0025 -0.0515 99 PHE D CB 3650 C CG . PHE F 91 ? 0.2223 0.2699 0.2058 -0.0124 0.0048 -0.0526 99 PHE D CG 3651 C CD1 . PHE F 91 ? 0.2555 0.3080 0.2502 -0.0095 -0.0022 -0.0463 99 PHE D CD1 3652 C CD2 . PHE F 91 ? 0.3369 0.3940 0.3244 -0.0182 0.0141 -0.0605 99 PHE D CD2 3653 C CE1 . PHE F 91 ? 0.2806 0.3458 0.2894 -0.0119 -0.0021 -0.0464 99 PHE D CE1 3654 C CE2 . PHE F 91 ? 0.3491 0.4217 0.3545 -0.0196 0.0148 -0.0614 99 PHE D CE2 3655 C CZ . PHE F 91 ? 0.3134 0.3891 0.3288 -0.0163 0.0057 -0.0536 99 PHE D CZ 3656 N N . GLN F 92 ? 0.2344 0.2510 0.1895 -0.0031 -0.0132 -0.0443 100 GLN D N 3657 C CA . GLN F 92 ? 0.2457 0.2512 0.1850 -0.0037 -0.0184 -0.0418 100 GLN D CA 3658 C C . GLN F 92 ? 0.2423 0.2455 0.1804 -0.0002 -0.0255 -0.0346 100 GLN D C 3659 O O . GLN F 92 ? 0.2293 0.2405 0.1799 0.0024 -0.0259 -0.0325 100 GLN D O 3660 C CB . GLN F 92 ? 0.2513 0.2577 0.1961 -0.0019 -0.0221 -0.0444 100 GLN D CB 3661 C CG . GLN F 92 ? 0.2443 0.2589 0.2067 0.0027 -0.0283 -0.0410 100 GLN D CG 3662 C CD . GLN F 92 ? 0.2511 0.2632 0.2163 0.0030 -0.0322 -0.0436 100 GLN D CD 3663 O OE1 . GLN F 92 ? 0.2776 0.2847 0.2391 0.0014 -0.0279 -0.0506 100 GLN D OE1 3664 N NE2 . GLN F 92 ? 0.2624 0.2777 0.2332 0.0037 -0.0396 -0.0392 100 GLN D NE2 3665 N N . HIS F 93 ? 0.2566 0.2488 0.1800 -0.0006 -0.0314 -0.0316 101 HIS D N 3666 C CA . HIS F 93 ? 0.2567 0.2472 0.1827 0.0045 -0.0396 -0.0265 101 HIS D CA 3667 C C . HIS F 93 ? 0.2699 0.2538 0.1870 0.0045 -0.0492 -0.0242 101 HIS D C 3668 O O . HIS F 93 ? 0.2882 0.2600 0.1855 -0.0017 -0.0493 -0.0246 101 HIS D O 3669 C CB . HIS F 93 ? 0.2679 0.2466 0.1831 0.0041 -0.0385 -0.0239 101 HIS D CB 3670 C CG . HIS F 93 ? 0.2682 0.2460 0.1919 0.0115 -0.0457 -0.0209 101 HIS D CG 3671 N ND1 . HIS F 93 ? 0.2921 0.2653 0.2155 0.0160 -0.0571 -0.0179 101 HIS D ND1 3672 C CD2 . HIS F 93 ? 0.2612 0.2428 0.1955 0.0152 -0.0428 -0.0218 101 HIS D CD2 3673 C CE1 . HIS F 93 ? 0.2937 0.2697 0.2311 0.0238 -0.0608 -0.0179 101 HIS D CE1 3674 N NE2 . HIS F 93 ? 0.2889 0.2691 0.2318 0.0229 -0.0514 -0.0208 101 HIS D NE2 3675 N N . PRO F 94 ? 0.2625 0.2556 0.1938 0.0099 -0.0570 -0.0225 102 PRO D N 3676 C CA . PRO F 94 ? 0.3104 0.2997 0.2348 0.0090 -0.0675 -0.0202 102 PRO D CA 3677 C C . PRO F 94 ? 0.3016 0.2716 0.2052 0.0076 -0.0761 -0.0150 102 PRO D C 3678 O O . PRO F 94 ? 0.3184 0.2809 0.2082 0.0031 -0.0844 -0.0126 102 PRO D O 3679 C CB . PRO F 94 ? 0.3228 0.3292 0.2707 0.0152 -0.0736 -0.0202 102 PRO D CB 3680 C CG . PRO F 94 ? 0.2958 0.3104 0.2581 0.0192 -0.0664 -0.0221 102 PRO D CG 3681 C CD . PRO F 94 ? 0.2635 0.2725 0.2169 0.0147 -0.0561 -0.0236 102 PRO D CD 3682 N N . CYS F 95 ? 0.3174 0.2772 0.2162 0.0099 -0.0750 -0.0127 103 CYS D N 3683 C CA . CYS F 95 ? 0.3621 0.2986 0.2383 0.0077 -0.0851 -0.0063 103 CYS D CA 3684 C C . CYS F 95 ? 0.3570 0.2754 0.2040 -0.0038 -0.0767 -0.0064 103 CYS D C 3685 O O . CYS F 95 ? 0.3846 0.2802 0.2093 -0.0078 -0.0834 -0.0007 103 CYS D O 3686 C CB . CYS F 95 ? 0.3412 0.2743 0.2312 0.0186 -0.0925 -0.0035 103 CYS D CB 3687 S SG . CYS F 95 ? 0.4411 0.3973 0.3669 0.0312 -0.1028 -0.0053 103 CYS D SG 3688 N N . PHE F 96 ? 0.3437 0.2724 0.1919 -0.0097 -0.0624 -0.0133 104 PHE D N 3689 C CA . PHE F 96 ? 0.3585 0.2770 0.1844 -0.0216 -0.0515 -0.0165 104 PHE D CA 3690 C C . PHE F 96 ? 0.3825 0.3027 0.1972 -0.0309 -0.0460 -0.0226 104 PHE D C 3691 O O . PHE F 96 ? 0.3479 0.2841 0.1786 -0.0302 -0.0351 -0.0308 104 PHE D O 3692 C CB . PHE F 96 ? 0.3370 0.2690 0.1797 -0.0196 -0.0387 -0.0215 104 PHE D CB 3693 C CG . PHE F 96 ? 0.3616 0.2859 0.1849 -0.0318 -0.0276 -0.0251 104 PHE D CG 3694 C CD1 . PHE F 96 ? 0.3814 0.2866 0.1848 -0.0368 -0.0297 -0.0200 104 PHE D CD1 3695 C CD2 . PHE F 96 ? 0.3732 0.3100 0.2001 -0.0383 -0.0150 -0.0345 104 PHE D CD2 3696 C CE1 . PHE F 96 ? 0.3889 0.2882 0.1732 -0.0507 -0.0187 -0.0237 104 PHE D CE1 3697 C CE2 . PHE F 96 ? 0.3610 0.2953 0.1733 -0.0507 -0.0034 -0.0398 104 PHE D CE2 3698 C CZ . PHE F 96 ? 0.3818 0.2978 0.1716 -0.0580 -0.0049 -0.0341 104 PHE D CZ 3699 N N . LEU F 97 ? 0.3958 0.2983 0.1830 -0.0397 -0.0545 -0.0186 105 LEU D N 3700 C CA . LEU F 97 ? 0.4064 0.3092 0.1815 -0.0489 -0.0507 -0.0248 105 LEU D CA 3701 C C . LEU F 97 ? 0.4494 0.3318 0.1845 -0.0678 -0.0464 -0.0262 105 LEU D C 3702 O O . LEU F 97 ? 0.4928 0.3540 0.2031 -0.0739 -0.0553 -0.0173 105 LEU D O 3703 C CB . LEU F 97 ? 0.4083 0.3114 0.1869 -0.0446 -0.0660 -0.0196 105 LEU D CB 3704 C CG . LEU F 97 ? 0.3920 0.3143 0.2063 -0.0288 -0.0723 -0.0174 105 LEU D CG 3705 C CD1 . LEU F 97 ? 0.3888 0.3113 0.2028 -0.0280 -0.0880 -0.0126 105 LEU D CD1 3706 C CD2 . LEU F 97 ? 0.3925 0.3340 0.2313 -0.0243 -0.0592 -0.0262 105 LEU D CD2 3707 N N . ARG F 98 ? 0.4507 0.3380 0.1785 -0.0779 -0.0330 -0.0378 106 ARG D N 3708 C CA . ARG F 98 ? 0.4899 0.3598 0.1776 -0.0993 -0.0264 -0.0419 106 ARG D CA 3709 C C . ARG F 98 ? 0.5256 0.3703 0.1788 -0.1085 -0.0454 -0.0299 106 ARG D C 3710 O O . ARG F 98 ? 0.5214 0.3683 0.1818 -0.1025 -0.0578 -0.0258 106 ARG D O 3711 C CB . ARG F 98 ? 0.4907 0.3721 0.1813 -0.1068 -0.0091 -0.0588 106 ARG D CB 3712 C CG . ARG F 98 ? 0.5330 0.3993 0.1820 -0.1316 0.0016 -0.0664 106 ARG D CG 3713 C CD . ARG F 98 ? 0.5332 0.4147 0.1928 -0.1368 0.0222 -0.0871 106 ARG D CD 3714 N NE . ARG F 98 ? 0.5747 0.4589 0.2458 -0.1295 0.0163 -0.0894 106 ARG D NE 3715 C CZ . ARG F 98 ? 0.5485 0.4506 0.2536 -0.1180 0.0260 -0.1019 106 ARG D CZ 3716 N NH1 . ARG F 98 ? 0.5649 0.4859 0.2989 -0.1115 0.0410 -0.1133 106 ARG D NH1 3717 N NH2 . ARG F 98 ? 0.5106 0.4109 0.2209 -0.1136 0.0193 -0.1028 106 ARG D NH2 3718 N N . GLY F 99 ? 0.5628 0.3832 0.1781 -0.1239 -0.0489 -0.0236 107 GLY D N 3719 C CA . GLY F 99 ? 0.6032 0.3973 0.1850 -0.1349 -0.0673 -0.0111 107 GLY D CA 3720 C C . GLY F 99 ? 0.6267 0.4120 0.2171 -0.1196 -0.0941 0.0044 107 GLY D C 3721 O O . GLY F 99 ? 0.6327 0.4026 0.2098 -0.1239 -0.1112 0.0150 107 GLY D O 3722 N N . GLN F 100 ? 0.5768 0.3786 0.2069 -0.0987 -0.0939 0.0053 108 GLN D N 3723 C CA . GLN F 100 ? 0.5928 0.3932 0.2440 -0.0811 -0.1154 0.0168 108 GLN D CA 3724 C C . GLN F 100 ? 0.5481 0.3435 0.2115 -0.0708 -0.1152 0.0205 108 GLN D C 3725 O O . GLN F 100 ? 0.5521 0.3667 0.2544 -0.0521 -0.1151 0.0190 108 GLN D O 3726 C CB . GLN F 100 ? 0.5534 0.3838 0.2465 -0.0648 -0.1158 0.0122 108 GLN D CB 3727 C CG . GLN F 100 ? 0.5476 0.3837 0.2312 -0.0744 -0.1146 0.0071 108 GLN D CG 3728 C CD . GLN F 100 ? 0.5758 0.3999 0.2458 -0.0771 -0.1389 0.0179 108 GLN D CD 3729 O OE1 . GLN F 100 ? 0.5736 0.3948 0.2578 -0.0650 -0.1577 0.0278 108 GLN D OE1 3730 N NE2 . GLN F 100 ? 0.6177 0.4354 0.2615 -0.0932 -0.1390 0.0151 108 GLN D NE2 3731 N N . GLU F 101 ? 0.5824 0.3512 0.2103 -0.0850 -0.1143 0.0246 109 GLU D N 3732 C CA . GLU F 101 ? 0.5786 0.3400 0.2136 -0.0782 -0.1118 0.0269 109 GLU D CA 3733 C C . GLU F 101 ? 0.5902 0.3420 0.2445 -0.0594 -0.1335 0.0370 109 GLU D C 3734 O O . GLU F 101 ? 0.5648 0.3199 0.2403 -0.0473 -0.1304 0.0359 109 GLU D O 3735 C CB . GLU F 101 ? 0.6428 0.3744 0.2309 -0.1004 -0.1074 0.0297 109 GLU D CB 3736 C CG . GLU F 101 ? 0.6317 0.3594 0.2272 -0.0962 -0.0997 0.0291 109 GLU D CG 3737 C CD . GLU F 101 ? 0.6973 0.3963 0.2456 -0.1204 -0.0940 0.0312 109 GLU D CD 3738 O OE1 . GLU F 101 ? 0.7024 0.3816 0.2182 -0.1385 -0.0987 0.0356 109 GLU D OE1 3739 O OE2 . GLU F 101 ? 0.7149 0.4153 0.2674 -0.1215 -0.0826 0.0277 109 GLU D OE2 3740 N N . GLN F 102 ? 0.6086 0.3499 0.2576 -0.0569 -0.1555 0.0458 110 GLN D N 3741 C CA . GLN F 102 ? 0.6376 0.3733 0.3114 -0.0373 -0.1768 0.0536 110 GLN D CA 3742 C C . GLN F 102 ? 0.5522 0.3259 0.2809 -0.0159 -0.1683 0.0443 110 GLN D C 3743 O O . GLN F 102 ? 0.5565 0.3311 0.3124 0.0013 -0.1775 0.0456 110 GLN D O 3744 C CB . GLN F 102 ? 0.6670 0.3874 0.3273 -0.0391 -0.2038 0.0647 110 GLN D CB 3745 C CG . GLN F 102 ? 0.6537 0.4056 0.3415 -0.0326 -0.2062 0.0603 110 GLN D CG 3746 C CD . GLN F 102 ? 0.6683 0.4340 0.3396 -0.0493 -0.1866 0.0514 110 GLN D CD 3747 O OE1 . GLN F 102 ? 0.7079 0.4575 0.3423 -0.0682 -0.1741 0.0493 110 GLN D OE1 3748 N NE2 . GLN F 102 ? 0.5681 0.3634 0.2672 -0.0428 -0.1835 0.0450 110 GLN D NE2 3749 N N . LEU F 103 ? 0.5166 0.3203 0.2607 -0.0179 -0.1503 0.0341 111 LEU D N 3750 C CA . LEU F 103 ? 0.4716 0.3092 0.2618 -0.0017 -0.1421 0.0259 111 LEU D CA 3751 C C . LEU F 103 ? 0.4543 0.2971 0.2608 0.0054 -0.1286 0.0207 111 LEU D C 3752 O O . LEU F 103 ? 0.4375 0.3031 0.2798 0.0187 -0.1249 0.0152 111 LEU D O 3753 C CB . LEU F 103 ? 0.4749 0.3377 0.2731 -0.0072 -0.1283 0.0177 111 LEU D CB 3754 C CG . LEU F 103 ? 0.5197 0.3888 0.3171 -0.0098 -0.1402 0.0198 111 LEU D CG 3755 C CD1 . LEU F 103 ? 0.4808 0.3734 0.2899 -0.0133 -0.1251 0.0103 111 LEU D CD1 3756 C CD2 . LEU F 103 ? 0.5337 0.4129 0.3608 0.0055 -0.1584 0.0238 111 LEU D CD2 3757 N N . LEU F 104 ? 0.4815 0.3038 0.2603 -0.0054 -0.1208 0.0219 112 LEU D N 3758 C CA . LEU F 104 ? 0.4575 0.2815 0.2473 -0.0009 -0.1093 0.0177 112 LEU D CA 3759 C C . LEU F 104 ? 0.4772 0.2944 0.2886 0.0158 -0.1216 0.0199 112 LEU D C 3760 O O . LEU F 104 ? 0.4911 0.3189 0.3235 0.0234 -0.1119 0.0138 112 LEU D O 3761 C CB . LEU F 104 ? 0.4846 0.2838 0.2371 -0.0172 -0.1022 0.0199 112 LEU D CB 3762 C CG . LEU F 104 ? 0.4840 0.2904 0.2161 -0.0348 -0.0878 0.0149 112 LEU D CG 3763 C CD1 . LEU F 104 ? 0.5170 0.2979 0.2109 -0.0527 -0.0819 0.0169 112 LEU D CD1 3764 C CD2 . LEU F 104 ? 0.4401 0.2815 0.2031 -0.0301 -0.0703 0.0044 112 LEU D CD2 3765 N N . GLU F 105 ? 0.5074 0.3064 0.3138 0.0211 -0.1432 0.0281 113 GLU D N 3766 C CA . GLU F 105 ? 0.5433 0.3352 0.3742 0.0389 -0.1570 0.0291 113 GLU D CA 3767 C C . GLU F 105 ? 0.5111 0.3413 0.3905 0.0540 -0.1495 0.0183 113 GLU D C 3768 O O . GLU F 105 ? 0.5313 0.3623 0.4363 0.0682 -0.1521 0.0138 113 GLU D O 3769 C CB . GLU F 105 ? 0.6250 0.3951 0.4469 0.0426 -0.1845 0.0400 113 GLU D CB 3770 C CG . GLU F 105 ? 0.7377 0.4654 0.5068 0.0253 -0.1949 0.0520 113 GLU D CG 3771 C CD . GLU F 105 ? 0.8786 0.5847 0.6377 0.0278 -0.2247 0.0642 113 GLU D CD 3772 O OE1 . GLU F 105 ? 0.9629 0.6339 0.6743 0.0105 -0.2355 0.0752 113 GLU D OE1 3773 O OE2 . GLU F 105 ? 0.9026 0.6279 0.7014 0.0459 -0.2377 0.0625 113 GLU D OE2 3774 N N . ASN F 106 ? 0.5081 0.3684 0.3989 0.0499 -0.1397 0.0135 114 ASN D N 3775 C CA . ASN F 106 ? 0.4687 0.3645 0.4010 0.0606 -0.1340 0.0042 114 ASN D CA 3776 C C . ASN F 106 ? 0.4508 0.3642 0.3923 0.0573 -0.1121 -0.0046 114 ASN D C 3777 O O . ASN F 106 ? 0.4567 0.3969 0.4285 0.0635 -0.1051 -0.0128 114 ASN D O 3778 C CB . ASN F 106 ? 0.4570 0.3731 0.3962 0.0576 -0.1393 0.0048 114 ASN D CB 3779 C CG . ASN F 106 ? 0.5257 0.4274 0.4589 0.0608 -0.1633 0.0137 114 ASN D CG 3780 O OD1 . ASN F 106 ? 0.5482 0.4416 0.4979 0.0737 -0.1780 0.0154 114 ASN D OD1 3781 N ND2 . ASN F 106 ? 0.5583 0.4555 0.4677 0.0488 -0.1683 0.0190 114 ASN D ND2 3782 N N . ILE F 107 ? 0.4146 0.3135 0.3291 0.0461 -0.1016 -0.0028 115 ILE D N 3783 C CA . ILE F 107 ? 0.3734 0.2867 0.2939 0.0416 -0.0832 -0.0095 115 ILE D CA 3784 C C . ILE F 107 ? 0.4049 0.3142 0.3389 0.0492 -0.0795 -0.0145 115 ILE D C 3785 O O . ILE F 107 ? 0.4603 0.3422 0.3805 0.0514 -0.0858 -0.0111 115 ILE D O 3786 C CB . ILE F 107 ? 0.3702 0.2713 0.2607 0.0272 -0.0740 -0.0070 115 ILE D CB 3787 C CG1 . ILE F 107 ? 0.3780 0.2851 0.2579 0.0196 -0.0751 -0.0052 115 ILE D CG1 3788 C CG2 . ILE F 107 ? 0.3563 0.2718 0.2545 0.0229 -0.0577 -0.0130 115 ILE D CG2 3789 C CD1 . ILE F 107 ? 0.3595 0.2584 0.2136 0.0053 -0.0651 -0.0054 115 ILE D CD1 3790 N N . LYS F 108 ? 0.3927 0.3273 0.3519 0.0522 -0.0693 -0.0229 116 LYS D N 3791 C CA . LYS F 108 ? 0.4458 0.3792 0.4184 0.0578 -0.0632 -0.0302 116 LYS D CA 3792 C C . LYS F 108 ? 0.3859 0.3324 0.3563 0.0477 -0.0465 -0.0348 116 LYS D C 3793 O O . LYS F 108 ? 0.3892 0.3528 0.3592 0.0402 -0.0415 -0.0338 116 LYS D O 3794 C CB . LYS F 108 ? 0.5354 0.4879 0.5430 0.0706 -0.0673 -0.0382 116 LYS D CB 3795 C CG . LYS F 108 ? 0.6344 0.5753 0.6498 0.0826 -0.0869 -0.0338 116 LYS D CG 3796 C CD . LYS F 108 ? 0.7491 0.6524 0.7481 0.0879 -0.0962 -0.0292 116 LYS D CD 3797 C CE . LYS F 108 ? 0.8104 0.7026 0.8246 0.1027 -0.1181 -0.0259 116 LYS D CE 3798 N NZ . LYS F 108 ? 0.8128 0.7014 0.8122 0.0985 -0.1334 -0.0146 116 LYS D NZ 3799 N N . ARG F 109 ? 0.3454 0.2822 0.3139 0.0471 -0.0392 -0.0397 117 ARG D N 3800 C CA . ARG F 109 ? 0.3725 0.3228 0.3407 0.0371 -0.0250 -0.0444 117 ARG D CA 3801 C C . ARG F 109 ? 0.4084 0.3882 0.4011 0.0377 -0.0199 -0.0517 117 ARG D C 3802 O O . ARG F 109 ? 0.3949 0.3835 0.4093 0.0476 -0.0236 -0.0576 117 ARG D O 3803 C CB . ARG F 109 ? 0.4211 0.3538 0.3814 0.0355 -0.0185 -0.0491 117 ARG D CB 3804 C CG . ARG F 109 ? 0.4306 0.3335 0.3626 0.0308 -0.0221 -0.0418 117 ARG D CG 3805 C CD . ARG F 109 ? 0.5001 0.3873 0.4216 0.0255 -0.0137 -0.0466 117 ARG D CD 3806 N NE . ARG F 109 ? 0.5710 0.4259 0.4637 0.0205 -0.0184 -0.0397 117 ARG D NE 3807 C CZ . ARG F 109 ? 0.5656 0.4051 0.4392 0.0098 -0.0111 -0.0407 117 ARG D CZ 3808 N NH1 . ARG F 109 ? 0.5545 0.4081 0.4345 0.0034 0.0008 -0.0479 117 ARG D NH1 3809 N NH2 . ARG F 109 ? 0.5821 0.3913 0.4275 0.0035 -0.0159 -0.0341 117 ARG D NH2 3810 N N . LYS F 110 ? 0.4442 0.4389 0.4335 0.0264 -0.0119 -0.0515 118 LYS D N 3811 C CA . LYS F 110 ? 0.5571 0.5773 0.5633 0.0228 -0.0076 -0.0567 118 LYS D CA 3812 C C . LYS F 110 ? 0.6109 0.6385 0.6087 0.0088 0.0018 -0.0576 118 LYS D C 3813 O O . LYS F 110 ? 0.6385 0.6674 0.6377 0.0043 0.0104 -0.0653 118 LYS D O 3814 C CB . LYS F 110 ? 0.6252 0.6564 0.6361 0.0241 -0.0155 -0.0514 118 LYS D CB 3815 C CG . LYS F 110 ? 0.6782 0.7064 0.7001 0.0366 -0.0261 -0.0512 118 LYS D CG 3816 C CD . LYS F 110 ? 0.6807 0.7150 0.7014 0.0362 -0.0343 -0.0452 118 LYS D CD 3817 C CE . LYS F 110 ? 0.6804 0.7115 0.7110 0.0473 -0.0468 -0.0443 118 LYS D CE 3818 N NZ . LYS F 110 ? 0.6737 0.7066 0.6982 0.0455 -0.0554 -0.0381 118 LYS D NZ 3819 O "O5'" . DG G 1 ? 0.4266 0.4570 0.4924 0.0345 -0.1239 -0.1087 1 DG G "O5'" 3820 C "C5'" . DG G 1 ? 0.4192 0.4537 0.4644 0.0405 -0.1245 -0.1030 1 DG G "C5'" 3821 C "C4'" . DG G 1 ? 0.4402 0.4887 0.4953 0.0538 -0.1042 -0.0911 1 DG G "C4'" 3822 O "O4'" . DG G 1 ? 0.4122 0.4615 0.4910 0.0489 -0.0864 -0.0869 1 DG G "O4'" 3823 C "C3'" . DG G 1 ? 0.4374 0.4915 0.4738 0.0594 -0.1023 -0.0840 1 DG G "C3'" 3824 O "O3'" . DG G 1 ? 0.4195 0.4882 0.4598 0.0762 -0.0891 -0.0745 1 DG G "O3'" 3825 C "C2'" . DG G 1 ? 0.4138 0.4635 0.4574 0.0488 -0.0919 -0.0804 1 DG G "C2'" 3826 C "C1'" . DG G 1 ? 0.4102 0.4619 0.4835 0.0479 -0.0764 -0.0791 1 DG G "C1'" 3827 N N9 . DG G 1 ? 0.4073 0.4497 0.4919 0.0333 -0.0717 -0.0823 1 DG G N9 3828 C C8 . DG G 1 ? 0.4092 0.4376 0.4844 0.0184 -0.0862 -0.0923 1 DG G C8 3829 N N7 . DG G 1 ? 0.4073 0.4301 0.4958 0.0080 -0.0771 -0.0935 1 DG G N7 3830 C C5 . DG G 1 ? 0.4030 0.4367 0.5127 0.0161 -0.0550 -0.0834 1 DG G C5 3831 C C6 . DG G 1 ? 0.3995 0.4332 0.5321 0.0109 -0.0366 -0.0802 1 DG G C6 3832 O O6 . DG G 1 ? 0.4001 0.4238 0.5372 -0.0026 -0.0368 -0.0864 1 DG G O6 3833 N N1 . DG G 1 ? 0.3960 0.4431 0.5469 0.0234 -0.0162 -0.0682 1 DG G N1 3834 C C2 . DG G 1 ? 0.3968 0.4557 0.5427 0.0395 -0.0140 -0.0606 1 DG G C2 3835 N N2 . DG G 1 ? 0.3943 0.4654 0.5594 0.0508 0.0078 -0.0484 1 DG G N2 3836 N N3 . DG G 1 ? 0.4007 0.4596 0.5242 0.0445 -0.0314 -0.0644 1 DG G N3 3837 C C4 . DG G 1 ? 0.4031 0.4490 0.5105 0.0320 -0.0513 -0.0759 1 DG G C4 3838 P P . DG G 2 ? 0.4613 0.5395 0.4820 0.0864 -0.0877 -0.0667 2 DG G P 3839 O OP1 . DG G 2 ? 0.5005 0.5896 0.5155 0.1032 -0.0877 -0.0646 2 DG G OP1 3840 O OP2 . DG G 2 ? 0.5236 0.5922 0.5242 0.0756 -0.1040 -0.0726 2 DG G OP2 3841 O "O5'" . DG G 2 ? 0.4812 0.5673 0.5178 0.0889 -0.0645 -0.0542 2 DG G "O5'" 3842 C "C5'" . DG G 2 ? 0.4854 0.5806 0.5451 0.0983 -0.0451 -0.0464 2 DG G "C5'" 3843 C "C4'" . DG G 2 ? 0.4653 0.5682 0.5363 0.1011 -0.0244 -0.0336 2 DG G "C4'" 3844 O "O4'" . DG G 2 ? 0.4452 0.5381 0.5328 0.0857 -0.0187 -0.0362 2 DG G "O4'" 3845 C "C3'" . DG G 2 ? 0.4959 0.6040 0.5456 0.1048 -0.0274 -0.0278 2 DG G "C3'" 3846 O "O3'" . DG G 2 ? 0.5335 0.6566 0.5910 0.1189 -0.0077 -0.0132 2 DG G "O3'" 3847 C "C2'" . DG G 2 ? 0.4769 0.5730 0.5270 0.0874 -0.0302 -0.0312 2 DG G "C2'" 3848 C "C1'" . DG G 2 ? 0.4709 0.5626 0.5498 0.0801 -0.0161 -0.0315 2 DG G "C1'" 3849 N N9 . DG G 2 ? 0.4519 0.5282 0.5325 0.0616 -0.0236 -0.0408 2 DG G N9 3850 C C8 . DG G 2 ? 0.4439 0.5076 0.5078 0.0510 -0.0452 -0.0532 2 DG G C8 3851 N N7 . DG G 2 ? 0.4031 0.4546 0.4720 0.0357 -0.0466 -0.0591 2 DG G N7 3852 C C5 . DG G 2 ? 0.3989 0.4550 0.4903 0.0358 -0.0248 -0.0510 2 DG G C5 3853 C C6 . DG G 2 ? 0.3964 0.4439 0.5023 0.0227 -0.0160 -0.0532 2 DG G C6 3854 O O6 . DG G 2 ? 0.3980 0.4319 0.4979 0.0085 -0.0262 -0.0630 2 DG G O6 3855 N N1 . DG G 2 ? 0.3924 0.4487 0.5219 0.0280 0.0077 -0.0426 2 DG G N1 3856 C C2 . DG G 2 ? 0.4089 0.4806 0.5461 0.0443 0.0213 -0.0304 2 DG G C2 3857 N N2 . DG G 2 ? 0.4274 0.5057 0.5892 0.0474 0.0445 -0.0204 2 DG G N2 3858 N N3 . DG G 2 ? 0.3950 0.4749 0.5168 0.0571 0.0130 -0.0281 2 DG G N3 3859 C C4 . DG G 2 ? 0.3983 0.4696 0.4979 0.0516 -0.0102 -0.0393 2 DG G C4 3860 P P . DT G 3 ? 0.5733 0.7058 0.6122 0.1261 -0.0075 -0.0045 3 DT G P 3861 O OP1 . DT G 3 ? 0.6081 0.7579 0.6488 0.1461 0.0070 0.0078 3 DT G OP1 3862 O OP2 . DT G 3 ? 0.5602 0.6852 0.5735 0.1197 -0.0315 -0.0151 3 DT G OP2 3863 O "O5'" . DT G 3 ? 0.4979 0.6267 0.5519 0.1154 0.0063 0.0020 3 DT G "O5'" 3864 C "C5'" . DT G 3 ? 0.4608 0.5926 0.5436 0.1161 0.0287 0.0099 3 DT G "C5'" 3865 C "C4'" . DT G 3 ? 0.4593 0.5843 0.5531 0.1031 0.0376 0.0127 3 DT G "C4'" 3866 O "O4'" . DT G 3 ? 0.4287 0.5364 0.5219 0.0850 0.0246 -0.0012 3 DT G "O4'" 3867 C "C3'" . DT G 3 ? 0.4940 0.6230 0.5706 0.1039 0.0346 0.0190 3 DT G "C3'" 3868 O "O3'" . DT G 3 ? 0.5127 0.6532 0.6053 0.1119 0.0575 0.0348 3 DT G "O3'" 3869 C "C2'" . DT G 3 ? 0.4690 0.5809 0.5404 0.0841 0.0233 0.0090 3 DT G "C2'" 3870 C "C1'" . DT G 3 ? 0.4254 0.5265 0.5155 0.0739 0.0257 0.0001 3 DT G "C1'" 3871 N N1 . DT G 3 ? 0.3993 0.4831 0.4781 0.0573 0.0069 -0.0145 3 DT G N1 3872 C C2 . DT G 3 ? 0.3933 0.4655 0.4857 0.0425 0.0127 -0.0188 3 DT G C2 3873 O O2 . DT G 3 ? 0.3897 0.4648 0.5041 0.0417 0.0325 -0.0117 3 DT G O2 3874 N N3 . DT G 3 ? 0.3951 0.4521 0.4744 0.0289 -0.0052 -0.0317 3 DT G N3 3875 C C4 . DT G 3 ? 0.3992 0.4514 0.4554 0.0284 -0.0275 -0.0402 3 DT G C4 3876 O O4 . DT G 3 ? 0.4012 0.4396 0.4475 0.0160 -0.0417 -0.0507 3 DT G O4 3877 C C5 . DT G 3 ? 0.4018 0.4666 0.4464 0.0438 -0.0324 -0.0357 3 DT G C5 3878 C C7 . DT G 3 ? 0.4065 0.4673 0.4278 0.0445 -0.0556 -0.0447 3 DT G C7 3879 C C6 . DT G 3 ? 0.4009 0.4806 0.4563 0.0574 -0.0154 -0.0235 3 DT G C6 3880 P P . DT G 4 ? 0.6198 0.7659 0.7029 0.1127 0.0604 0.0445 4 DT G P 3881 O OP1 . DT G 4 ? 0.6386 0.8028 0.7316 0.1301 0.0803 0.0616 4 DT G OP1 3882 O OP2 . DT G 4 ? 0.6362 0.7783 0.6905 0.1098 0.0366 0.0361 4 DT G OP2 3883 O "O5'" . DT G 4 ? 0.4943 0.6274 0.5950 0.0951 0.0696 0.0430 4 DT G "O5'" 3884 C "C5'" . DT G 4 ? 0.4447 0.5752 0.5747 0.0913 0.0877 0.0446 4 DT G "C5'" 3885 C "C4'" . DT G 4 ? 0.4308 0.5471 0.5720 0.0732 0.0921 0.0401 4 DT G "C4'" 3886 O "O4'" . DT G 4 ? 0.4294 0.5293 0.5568 0.0588 0.0714 0.0233 4 DT G "O4'" 3887 C "C3'" . DT G 4 ? 0.4353 0.5528 0.5709 0.0704 0.0967 0.0486 4 DT G "C3'" 3888 O "O3'" . DT G 4 ? 0.4705 0.5847 0.6324 0.0633 0.1175 0.0539 4 DT G "O3'" 3889 C "C2'" . DT G 4 ? 0.4174 0.5204 0.5289 0.0571 0.0735 0.0357 4 DT G "C2'" 3890 C "C1'" . DT G 4 ? 0.4290 0.5190 0.5457 0.0468 0.0657 0.0211 4 DT G "C1'" 3891 N N1 . DT G 4 ? 0.3885 0.4670 0.4805 0.0389 0.0401 0.0073 4 DT G N1 3892 C C2 . DT G 4 ? 0.3884 0.4499 0.4804 0.0224 0.0329 -0.0046 4 DT G C2 3893 O O2 . DT G 4 ? 0.3861 0.4413 0.4967 0.0136 0.0459 -0.0053 4 DT G O2 3894 N N3 . DT G 4 ? 0.3945 0.4466 0.4639 0.0169 0.0098 -0.0159 4 DT G N3 3895 C C4 . DT G 4 ? 0.3954 0.4530 0.4440 0.0255 -0.0063 -0.0171 4 DT G C4 3896 O O4 . DT G 4 ? 0.3987 0.4467 0.4295 0.0195 -0.0260 -0.0274 4 DT G O4 3897 C C5 . DT G 4 ? 0.3957 0.4712 0.4452 0.0425 0.0019 -0.0054 4 DT G C5 3898 C C7 . DT G 4 ? 0.4004 0.4835 0.4281 0.0532 -0.0145 -0.0068 4 DT G C7 3899 C C6 . DT G 4 ? 0.3925 0.4776 0.4627 0.0485 0.0244 0.0064 4 DT G C6 3900 P P . DC G 5 ? 0.4186 0.5322 0.5827 0.0582 0.1273 0.0633 5 DC G P 3901 O OP1 . DC G 5 ? 0.4661 0.5880 0.6610 0.0633 0.1550 0.0764 5 DC G OP1 3902 O OP2 . DC G 5 ? 0.4320 0.5525 0.5702 0.0651 0.1135 0.0675 5 DC G OP2 3903 O "O5'" . DC G 5 ? 0.3760 0.4687 0.5373 0.0373 0.1188 0.0493 5 DC G "O5'" 3904 C "C5'" . DC G 5 ? 0.3744 0.4572 0.5546 0.0275 0.1248 0.0401 5 DC G "C5'" 3905 C "C4'" . DC G 5 ? 0.4094 0.4728 0.5794 0.0089 0.1131 0.0267 5 DC G "C4'" 3906 O "O4'" . DC G 5 ? 0.3798 0.4369 0.5210 0.0067 0.0873 0.0162 5 DC G "O4'" 3907 C "C3'" . DC G 5 ? 0.3984 0.4564 0.5666 0.0013 0.1200 0.0324 5 DC G "C3'" 3908 O "O3'" . DC G 5 ? 0.4090 0.4516 0.5879 -0.0144 0.1252 0.0231 5 DC G "O3'" 3909 C "C2'" . DC G 5 ? 0.3786 0.4327 0.5148 0.0001 0.0974 0.0287 5 DC G "C2'" 3910 C "C1'" . DC G 5 ? 0.4015 0.4483 0.5254 -0.0031 0.0782 0.0138 5 DC G "C1'" 3911 N N1 . DC G 5 ? 0.3849 0.4329 0.4810 0.0015 0.0553 0.0098 5 DC G N1 3912 C C2 . DC G 5 ? 0.3896 0.4221 0.4662 -0.0101 0.0357 -0.0029 5 DC G C2 3913 O O2 . DC G 5 ? 0.3903 0.4085 0.4707 -0.0238 0.0375 -0.0103 5 DC G O2 3914 N N3 . DC G 5 ? 0.3918 0.4255 0.4458 -0.0057 0.0156 -0.0068 5 DC G N3 3915 C C4 . DC G 5 ? 0.3916 0.4409 0.4410 0.0093 0.0139 0.0003 5 DC G C4 3916 N N4 . DC G 5 ? 0.3951 0.4448 0.4230 0.0129 -0.0063 -0.0049 5 DC G N4 3917 C C5 . DC G 5 ? 0.3886 0.4540 0.4555 0.0218 0.0332 0.0132 5 DC G C5 3918 C C6 . DC G 5 ? 0.3850 0.4491 0.4755 0.0174 0.0537 0.0179 5 DC G C6 3919 P P . DT G 6 ? 0.4048 0.4403 0.5927 -0.0238 0.1401 0.0287 6 DT G P 3920 O OP1 . DT G 6 ? 0.4135 0.4408 0.6260 -0.0335 0.1543 0.0219 6 DT G OP1 3921 O OP2 . DT G 6 ? 0.4134 0.4637 0.6050 -0.0120 0.1515 0.0464 6 DT G OP2 3922 O "O5'" . DT G 6 ? 0.3802 0.4002 0.5393 -0.0355 0.1200 0.0192 6 DT G "O5'" 3923 C "C5'" . DT G 6 ? 0.4123 0.4175 0.5600 -0.0466 0.1049 0.0027 6 DT G "C5'" 3924 C "C4'" . DT G 6 ? 0.4535 0.4459 0.5747 -0.0554 0.0887 -0.0023 6 DT G "C4'" 3925 O "O4'" . DT G 6 ? 0.4131 0.4107 0.5119 -0.0478 0.0684 -0.0032 6 DT G "O4'" 3926 C "C3'" . DT G 6 ? 0.5158 0.5072 0.6379 -0.0577 0.0996 0.0085 6 DT G "C3'" 3927 O "O3'" . DT G 6 ? 0.5939 0.5670 0.7028 -0.0718 0.0930 -0.0001 6 DT G "O3'" 3928 C "C2'" . DT G 6 ? 0.4668 0.4696 0.5726 -0.0463 0.0879 0.0166 6 DT G "C2'" 3929 C "C1'" . DT G 6 ? 0.4416 0.4384 0.5266 -0.0478 0.0642 0.0035 6 DT G "C1'" 3930 N N1 . DT G 6 ? 0.3904 0.3991 0.4606 -0.0355 0.0497 0.0068 6 DT G N1 3931 C C2 . DT G 6 ? 0.3948 0.3954 0.4417 -0.0388 0.0269 -0.0029 6 DT G C2 3932 O O2 . DT G 6 ? 0.4147 0.3991 0.4521 -0.0510 0.0184 -0.0130 6 DT G O2 3933 N N3 . DT G 6 ? 0.3944 0.4068 0.4297 -0.0271 0.0148 -0.0002 6 DT G N3 3934 C C4 . DT G 6 ? 0.3912 0.4223 0.4336 -0.0122 0.0226 0.0109 6 DT G C4 3935 O O4 . DT G 6 ? 0.3926 0.4331 0.4222 -0.0021 0.0101 0.0115 6 DT G O4 3936 C C5 . DT G 6 ? 0.3941 0.4331 0.4603 -0.0089 0.0470 0.0218 6 DT G C5 3937 C C7 . DT G 6 ? 0.3844 0.4443 0.4596 0.0078 0.0580 0.0356 6 DT G C7 3938 C C6 . DT G 6 ? 0.3863 0.4138 0.4661 -0.0208 0.0593 0.0192 6 DT G C6 3939 P P . DA G 7 ? 0.6132 0.5759 0.7349 -0.0826 0.1116 0.0025 7 DA G P 3940 O OP1 . DA G 7 ? 0.6054 0.5596 0.7407 -0.0912 0.1188 -0.0086 7 DA G OP1 3941 O OP2 . DA G 7 ? 0.5614 0.5364 0.6985 -0.0748 0.1292 0.0193 7 DA G OP2 3942 O "O5'" . DA G 7 ? 0.4192 0.3655 0.5143 -0.0925 0.0962 -0.0035 7 DA G "O5'" 3943 C "C5'" . DA G 7 ? 0.4536 0.3886 0.5289 -0.0987 0.0764 -0.0176 7 DA G "C5'" 3944 C "C4'" . DA G 7 ? 0.4645 0.3947 0.5148 -0.0988 0.0583 -0.0172 7 DA G "C4'" 3945 O "O4'" . DA G 7 ? 0.4082 0.3542 0.4549 -0.0856 0.0488 -0.0117 7 DA G "O4'" 3946 C "C3'" . DA G 7 ? 0.4746 0.4000 0.5238 -0.1025 0.0667 -0.0080 7 DA G "C3'" 3947 O "O3'" . DA G 7 ? 0.5204 0.4263 0.5530 -0.1147 0.0595 -0.0162 7 DA G "O3'" 3948 C "C2'" . DA G 7 ? 0.4559 0.3938 0.4972 -0.0917 0.0568 0.0011 7 DA G "C2'" 3949 C "C1'" . DA G 7 ? 0.4342 0.3811 0.4687 -0.0833 0.0416 -0.0049 7 DA G "C1'" 3950 N N9 . DA G 7 ? 0.4315 0.3983 0.4720 -0.0687 0.0427 0.0052 7 DA G N9 3951 C C8 . DA G 7 ? 0.4306 0.4116 0.4913 -0.0606 0.0614 0.0172 7 DA G C8 3952 N N7 . DA G 7 ? 0.4209 0.4190 0.4806 -0.0468 0.0574 0.0243 7 DA G N7 3953 C C5 . DA G 7 ? 0.3952 0.3897 0.4333 -0.0463 0.0343 0.0156 7 DA G C5 3954 C C6 . DA G 7 ? 0.4333 0.4399 0.4598 -0.0347 0.0196 0.0163 7 DA G C6 3955 N N6 . DA G 7 ? 0.4324 0.4582 0.4660 -0.0205 0.0259 0.0268 7 DA G N6 3956 N N1 . DA G 7 ? 0.4164 0.4148 0.4236 -0.0380 -0.0018 0.0058 7 DA G N1 3957 C C2 . DA G 7 ? 0.4149 0.3944 0.4141 -0.0514 -0.0078 -0.0038 7 DA G C2 3958 N N3 . DA G 7 ? 0.4054 0.3724 0.4122 -0.0627 0.0042 -0.0055 7 DA G N3 3959 C C4 . DA G 7 ? 0.4007 0.3761 0.4276 -0.0596 0.0253 0.0042 7 DA G C4 3960 P P . DG G 8 ? 0.4788 0.3750 0.5079 -0.1209 0.0670 -0.0088 8 DG G P 3961 O OP1 . DG G 8 ? 0.5629 0.4399 0.5869 -0.1343 0.0721 -0.0178 8 DG G OP1 3962 O OP2 . DG G 8 ? 0.4818 0.3923 0.5303 -0.1133 0.0833 0.0061 8 DG G OP2 3963 O "O5'" . DG G 8 ? 0.4809 0.3745 0.4877 -0.1189 0.0455 -0.0093 8 DG G "O5'" 3964 C "C5'" . DG G 8 ? 0.5135 0.4007 0.5020 -0.1205 0.0256 -0.0208 8 DG G "C5'" 3965 C "C4'" . DG G 8 ? 0.5248 0.4146 0.4987 -0.1155 0.0080 -0.0184 8 DG G "C4'" 3966 O "O4'" . DG G 8 ? 0.5192 0.4292 0.5011 -0.1023 0.0056 -0.0122 8 DG G "O4'" 3967 C "C3'" . DG G 8 ? 0.5948 0.4782 0.5667 -0.1190 0.0119 -0.0102 8 DG G "C3'" 3968 O "O3'" . DG G 8 ? 0.6643 0.5387 0.6174 -0.1212 -0.0066 -0.0145 8 DG G "O3'" 3969 C "C2'" . DG G 8 ? 0.5753 0.4782 0.5617 -0.1078 0.0186 0.0022 8 DG G "C2'" 3970 C "C1'" . DG G 8 ? 0.5099 0.4264 0.4931 -0.0976 0.0057 -0.0020 8 DG G "C1'" 3971 N N9 . DG G 8 ? 0.4588 0.3960 0.4573 -0.0855 0.0147 0.0077 8 DG G N9 3972 C C8 . DG G 8 ? 0.4353 0.3799 0.4537 -0.0835 0.0362 0.0173 8 DG G C8 3973 N N7 . DG G 8 ? 0.4303 0.3944 0.4581 -0.0707 0.0398 0.0255 8 DG G N7 3974 C C5 . DG G 8 ? 0.4486 0.4181 0.4610 -0.0640 0.0192 0.0202 8 DG G C5 3975 C C6 . DG G 8 ? 0.4298 0.4184 0.4419 -0.0496 0.0128 0.0244 8 DG G C6 3976 O O6 . DG G 8 ? 0.4058 0.4110 0.4307 -0.0390 0.0247 0.0347 8 DG G O6 3977 N N1 . DG G 8 ? 0.4334 0.4205 0.4276 -0.0474 -0.0093 0.0155 8 DG G N1 3978 C C2 . DG G 8 ? 0.4516 0.4213 0.4311 -0.0577 -0.0233 0.0049 8 DG G C2 3979 N N2 . DG G 8 ? 0.4666 0.4377 0.4317 -0.0536 -0.0434 -0.0023 8 DG G N2 3980 N N3 . DG G 8 ? 0.4870 0.4391 0.4659 -0.0707 -0.0175 0.0016 8 DG G N3 3981 C C4 . DG G 8 ? 0.4538 0.4069 0.4492 -0.0732 0.0038 0.0093 8 DG G C4 3982 P P . DA G 9 ? 0.6888 0.5525 0.6373 -0.1264 -0.0059 -0.0082 9 DA G P 3983 O OP1 . DA G 9 ? 0.7455 0.5880 0.6779 -0.1373 -0.0104 -0.0164 9 DA G OP1 3984 O OP2 . DA G 9 ? 0.6637 0.5340 0.6302 -0.1250 0.0131 0.0038 9 DA G OP2 3985 O "O5'" . DA G 9 ? 0.5086 0.3816 0.4505 -0.1180 -0.0247 -0.0068 9 DA G "O5'" 3986 C "C5'" . DA G 9 ? 0.4990 0.3750 0.4296 -0.1139 -0.0427 -0.0157 9 DA G "C5'" 3987 C "C4'" . DA G 9 ? 0.4926 0.3842 0.4243 -0.1030 -0.0549 -0.0123 9 DA G "C4'" 3988 O "O4'" . DA G 9 ? 0.4952 0.4062 0.4412 -0.0931 -0.0450 -0.0056 9 DA G "O4'" 3989 C "C3'" . DA G 9 ? 0.5128 0.4023 0.4455 -0.1035 -0.0581 -0.0056 9 DA G "C3'" 3990 O "O3'" . DA G 9 ? 0.5502 0.4442 0.4745 -0.0979 -0.0781 -0.0100 9 DA G "O3'" 3991 C "C2'" . DA G 9 ? 0.5122 0.4178 0.4623 -0.0967 -0.0436 0.0061 9 DA G "C2'" 3992 C "C1'" . DA G 9 ? 0.5042 0.4258 0.4578 -0.0871 -0.0436 0.0042 9 DA G "C1'" 3993 N N9 . DA G 9 ? 0.4769 0.4118 0.4475 -0.0818 -0.0248 0.0140 9 DA G N9 3994 C C8 . DA G 9 ? 0.4603 0.3895 0.4428 -0.0881 -0.0046 0.0199 9 DA G C8 3995 N N7 . DA G 9 ? 0.4108 0.3555 0.4092 -0.0804 0.0097 0.0290 9 DA G N7 3996 C C5 . DA G 9 ? 0.4074 0.3692 0.4024 -0.0679 -0.0021 0.0291 9 DA G C5 3997 C C6 . DA G 9 ? 0.4018 0.3848 0.4068 -0.0546 0.0040 0.0372 9 DA G C6 3998 N N6 . DA G 9 ? 0.3974 0.3888 0.4204 -0.0517 0.0248 0.0478 9 DA G N6 3999 N N1 . DA G 9 ? 0.4016 0.3971 0.3975 -0.0440 -0.0117 0.0341 9 DA G N1 4000 C C2 . DA G 9 ? 0.4604 0.4475 0.4401 -0.0469 -0.0319 0.0236 9 DA G C2 4001 N N3 . DA G 9 ? 0.4108 0.3785 0.3812 -0.0589 -0.0392 0.0160 9 DA G N3 4002 C C4 . DA G 9 ? 0.4116 0.3674 0.3896 -0.0689 -0.0235 0.0194 9 DA G C4 4003 P P . DA G 10 ? 0.5382 0.4308 0.4632 -0.0975 -0.0873 -0.0060 10 DA G P 4004 O OP1 . DA G 10 ? 0.5706 0.4521 0.4815 -0.1005 -0.1054 -0.0154 10 DA G OP1 4005 O OP2 . DA G 10 ? 0.5366 0.4221 0.4710 -0.1036 -0.0726 0.0031 10 DA G OP2 4006 O "O5'" . DA G 10 ? 0.5038 0.4197 0.4366 -0.0840 -0.0926 -0.0021 10 DA G "O5'" 4007 C "C5'" . DA G 10 ? 0.4816 0.4091 0.4089 -0.0754 -0.1027 -0.0085 10 DA G "C5'" 4008 C "C4'" . DA G 10 ? 0.4806 0.4302 0.4151 -0.0625 -0.1051 -0.0031 10 DA G "C4'" 4009 O "O4'" . DA G 10 ? 0.4558 0.4161 0.4025 -0.0587 -0.0859 0.0064 10 DA G "O4'" 4010 C "C3'" . DA G 10 ? 0.4471 0.3998 0.3863 -0.0610 -0.1121 0.0012 10 DA G "C3'" 4011 O "O3'" . DA G 10 ? 0.4931 0.4631 0.4304 -0.0490 -0.1255 -0.0013 10 DA G "O3'" 4012 C "C2'" . DA G 10 ? 0.4364 0.3939 0.3900 -0.0617 -0.0928 0.0139 10 DA G "C2'" 4013 C "C1'" . DA G 10 ? 0.4169 0.3867 0.3740 -0.0548 -0.0811 0.0165 10 DA G "C1'" 4014 N N9 . DA G 10 ? 0.4137 0.3826 0.3836 -0.0585 -0.0589 0.0263 10 DA G N9 4015 C C8 . DA G 10 ? 0.4161 0.3673 0.3888 -0.0708 -0.0473 0.0277 10 DA G C8 4016 N N7 . DA G 10 ? 0.4125 0.3673 0.3987 -0.0713 -0.0271 0.0367 10 DA G N7 4017 C C5 . DA G 10 ? 0.4073 0.3840 0.4000 -0.0581 -0.0251 0.0422 10 DA G C5 4018 C C6 . DA G 10 ? 0.4022 0.3928 0.4100 -0.0515 -0.0069 0.0531 10 DA G C6 4019 N N6 . DA G 10 ? 0.4007 0.3847 0.4216 -0.0582 0.0134 0.0600 10 DA G N6 4020 N N1 . DA G 10 ? 0.3994 0.4110 0.4086 -0.0374 -0.0100 0.0569 10 DA G N1 4021 C C2 . DA G 10 ? 0.4090 0.4268 0.4050 -0.0306 -0.0302 0.0493 10 DA G C2 4022 N N3 . DA G 10 ? 0.4061 0.4120 0.3885 -0.0361 -0.0485 0.0383 10 DA G N3 4023 C C4 . DA G 10 ? 0.4213 0.4068 0.4030 -0.0500 -0.0447 0.0357 10 DA G C4 4024 P P . DC G 11 ? 0.5000 0.4753 0.4408 -0.0458 -0.1392 -0.0009 11 DC G P 4025 O OP1 . DC G 11 ? 0.5431 0.5226 0.4738 -0.0398 -0.1592 -0.0120 11 DC G OP1 4026 O OP2 . DC G 11 ? 0.4755 0.4344 0.4221 -0.0571 -0.1346 0.0030 11 DC G OP2 4027 O "O5'" . DC G 11 ? 0.4767 0.4738 0.4283 -0.0350 -0.1309 0.0097 11 DC G "O5'" 4028 C "C5'" . DC G 11 ? 0.4771 0.4918 0.4266 -0.0232 -0.1279 0.0109 11 DC G "C5'" 4029 C "C4'" . DC G 11 ? 0.4522 0.4831 0.4140 -0.0161 -0.1137 0.0243 11 DC G "C4'" 4030 O "O4'" . DC G 11 ? 0.4525 0.4738 0.4232 -0.0244 -0.0930 0.0321 11 DC G "O4'" 4031 C "C3'" . DC G 11 ? 0.4170 0.4543 0.3873 -0.0144 -0.1196 0.0295 11 DC G "C3'" 4032 O "O3'" . DC G 11 ? 0.4186 0.4785 0.3873 0.0003 -0.1279 0.0307 11 DC G "O3'" 4033 C "C2'" . DC G 11 ? 0.4694 0.5036 0.4545 -0.0201 -0.0986 0.0428 11 DC G "C2'" 4034 C "C1'" . DC G 11 ? 0.4423 0.4737 0.4266 -0.0212 -0.0822 0.0447 11 DC G "C1'" 4035 N N1 . DC G 11 ? 0.4076 0.4248 0.4020 -0.0327 -0.0627 0.0516 11 DC G N1 4036 C C2 . DC G 11 ? 0.4033 0.4300 0.4106 -0.0289 -0.0423 0.0634 11 DC G C2 4037 O O2 . DC G 11 ? 0.4017 0.4485 0.4112 -0.0160 -0.0406 0.0687 11 DC G O2 4038 N N3 . DC G 11 ? 0.4019 0.4154 0.4189 -0.0394 -0.0244 0.0690 11 DC G N3 4039 C C4 . DC G 11 ? 0.4053 0.3972 0.4180 -0.0525 -0.0265 0.0633 11 DC G C4 4040 N N4 . DC G 11 ? 0.4050 0.3843 0.4267 -0.0621 -0.0081 0.0686 11 DC G N4 4041 C C5 . DC G 11 ? 0.4100 0.3919 0.4091 -0.0561 -0.0470 0.0521 11 DC G C5 4042 C C6 . DC G 11 ? 0.4106 0.4057 0.4018 -0.0461 -0.0644 0.0465 11 DC G C6 4043 P P . DC G 12 ? 0.4653 0.5370 0.4420 0.0053 -0.1380 0.0343 12 DC G P 4044 O OP1 . DC G 12 ? 0.5008 0.5901 0.4677 0.0188 -0.1547 0.0271 12 DC G OP1 4045 O OP2 . DC G 12 ? 0.4512 0.5045 0.4335 -0.0076 -0.1436 0.0312 12 DC G OP2 4046 O "O5'" . DC G 12 ? 0.4169 0.5012 0.4076 0.0097 -0.1185 0.0509 12 DC G "O5'" 4047 C "C5'" . DC G 12 ? 0.4319 0.5347 0.4211 0.0224 -0.1091 0.0577 12 DC G "C5'" 4048 C "C4'" . DC G 12 ? 0.4120 0.5223 0.4172 0.0236 -0.0887 0.0743 12 DC G "C4'" 4049 O "O4'" . DC G 12 ? 0.4230 0.5146 0.4350 0.0107 -0.0713 0.0773 12 DC G "O4'" 4050 C "C3'" . DC G 12 ? 0.4125 0.5270 0.4301 0.0224 -0.0922 0.0808 12 DC G "C3'" 4051 O "O3'" . DC G 12 ? 0.4165 0.5558 0.4333 0.0378 -0.1006 0.0847 12 DC G "O3'" 4052 C "C2'" . DC G 12 ? 0.4069 0.5153 0.4410 0.0154 -0.0681 0.0947 12 DC G "C2'" 4053 C "C1'" . DC G 12 ? 0.4040 0.4979 0.4331 0.0083 -0.0555 0.0911 12 DC G "C1'" 4054 N N1 . DC G 12 ? 0.4021 0.4716 0.4366 -0.0083 -0.0462 0.0901 12 DC G N1 4055 C C2 . DC G 12 ? 0.3980 0.4634 0.4469 -0.0133 -0.0228 0.1015 12 DC G C2 4056 O O2 . DC G 12 ? 0.3955 0.4778 0.4536 -0.0037 -0.0102 0.1129 12 DC G O2 4057 N N3 . DC G 12 ? 0.3978 0.4408 0.4501 -0.0281 -0.0142 0.1000 12 DC G N3 4058 C C4 . DC G 12 ? 0.4015 0.4270 0.4433 -0.0373 -0.0278 0.0886 12 DC G C4 4059 N N4 . DC G 12 ? 0.4028 0.4065 0.4468 -0.0511 -0.0182 0.0878 12 DC G N4 4060 C C5 . DC G 12 ? 0.4050 0.4345 0.4335 -0.0325 -0.0514 0.0775 12 DC G C5 4061 C C6 . DC G 12 ? 0.4051 0.4565 0.4305 -0.0182 -0.0598 0.0783 12 DC G C6 4062 O "O5'" . DG H 1 ? 0.6293 0.5974 0.9231 -0.0568 -0.0982 0.0843 1 DG H "O5'" 4063 C "C5'" . DG H 1 ? 0.5879 0.5546 0.8622 -0.0545 -0.0924 0.0880 1 DG H "C5'" 4064 C "C4'" . DG H 1 ? 0.5210 0.4947 0.7793 -0.0403 -0.1033 0.0969 1 DG H "C4'" 4065 O "O4'" . DG H 1 ? 0.4847 0.4618 0.7249 -0.0374 -0.1199 0.0910 1 DG H "O4'" 4066 C "C3'" . DG H 1 ? 0.4879 0.4605 0.7277 -0.0371 -0.0963 0.1014 1 DG H "C3'" 4067 O "O3'" . DG H 1 ? 0.5052 0.4841 0.7383 -0.0243 -0.1024 0.1127 1 DG H "O3'" 4068 C "C2'" . DG H 1 ? 0.5132 0.4844 0.7285 -0.0401 -0.1042 0.0920 1 DG H "C2'" 4069 C "C1'" . DG H 1 ? 0.4861 0.4621 0.7004 -0.0361 -0.1213 0.0889 1 DG H "C1'" 4070 N N9 . DG H 1 ? 0.5372 0.5095 0.7413 -0.0430 -0.1282 0.0775 1 DG H N9 4071 C C8 . DG H 1 ? 0.5051 0.4697 0.7139 -0.0552 -0.1212 0.0698 1 DG H C8 4072 N N7 . DG H 1 ? 0.4850 0.4470 0.6821 -0.0585 -0.1304 0.0618 1 DG H N7 4073 C C5 . DG H 1 ? 0.5004 0.4693 0.6855 -0.0480 -0.1437 0.0631 1 DG H C5 4074 C C6 . DG H 1 ? 0.4830 0.4527 0.6544 -0.0462 -0.1568 0.0561 1 DG H C6 4075 O O6 . DG H 1 ? 0.4804 0.4437 0.6476 -0.0531 -0.1596 0.0483 1 DG H O6 4076 N N1 . DG H 1 ? 0.4911 0.4700 0.6534 -0.0354 -0.1668 0.0591 1 DG H N1 4077 C C2 . DG H 1 ? 0.4968 0.4828 0.6612 -0.0272 -0.1652 0.0690 1 DG H C2 4078 N N2 . DG H 1 ? 0.5060 0.5013 0.6586 -0.0184 -0.1761 0.0706 1 DG H N2 4079 N N3 . DG H 1 ? 0.4947 0.4789 0.6722 -0.0281 -0.1534 0.0767 1 DG H N3 4080 C C4 . DG H 1 ? 0.4857 0.4614 0.6737 -0.0387 -0.1428 0.0727 1 DG H C4 4081 P P . DG H 2 ? 0.5032 0.4818 0.7160 -0.0191 -0.0961 0.1187 2 DG H P 4082 O OP1 . DG H 2 ? 0.5151 0.4973 0.7334 -0.0090 -0.0952 0.1332 2 DG H OP1 4083 O OP2 . DG H 2 ? 0.6028 0.5745 0.8152 -0.0285 -0.0807 0.1127 2 DG H OP2 4084 O "O5'" . DG H 2 ? 0.5129 0.4960 0.6970 -0.0147 -0.1114 0.1132 2 DG H "O5'" 4085 C "C5'" . DG H 2 ? 0.5182 0.5098 0.6947 -0.0058 -0.1270 0.1173 2 DG H "C5'" 4086 C "C4'" . DG H 2 ? 0.5254 0.5203 0.6756 -0.0038 -0.1377 0.1097 2 DG H "C4'" 4087 O "O4'" . DG H 2 ? 0.5119 0.5033 0.6622 -0.0114 -0.1424 0.0971 2 DG H "O4'" 4088 C "C3'" . DG H 2 ? 0.5488 0.5413 0.6795 -0.0030 -0.1301 0.1096 2 DG H "C3'" 4089 O "O3'" . DG H 2 ? 0.5793 0.5794 0.6895 0.0045 -0.1407 0.1111 2 DG H "O3'" 4090 C "C2'" . DG H 2 ? 0.5130 0.4996 0.6396 -0.0118 -0.1279 0.0969 2 DG H "C2'" 4091 C "C1'" . DG H 2 ? 0.5103 0.4989 0.6418 -0.0135 -0.1413 0.0902 2 DG H "C1'" 4092 N N9 . DG H 2 ? 0.4995 0.4811 0.6357 -0.0232 -0.1397 0.0803 2 DG H N9 4093 C C8 . DG H 2 ? 0.4904 0.4653 0.6411 -0.0322 -0.1281 0.0791 2 DG H C8 4094 N N7 . DG H 2 ? 0.4841 0.4539 0.6339 -0.0402 -0.1304 0.0702 2 DG H N7 4095 C C5 . DG H 2 ? 0.4887 0.4616 0.6246 -0.0357 -0.1443 0.0652 2 DG H C5 4096 C C6 . DG H 2 ? 0.4865 0.4556 0.6163 -0.0401 -0.1525 0.0560 2 DG H C6 4097 O O6 . DG H 2 ? 0.4807 0.4427 0.6146 -0.0493 -0.1496 0.0511 2 DG H O6 4098 N N1 . DG H 2 ? 0.4932 0.4677 0.6109 -0.0331 -0.1649 0.0527 2 DG H N1 4099 C C2 . DG H 2 ? 0.5016 0.4849 0.6120 -0.0238 -0.1692 0.0575 2 DG H C2 4100 N N2 . DG H 2 ? 0.5078 0.4963 0.6068 -0.0193 -0.1806 0.0519 2 DG H N2 4101 N N3 . DG H 2 ? 0.5049 0.4917 0.6189 -0.0196 -0.1624 0.0672 2 DG H N3 4102 C C4 . DG H 2 ? 0.4978 0.4786 0.6255 -0.0256 -0.1500 0.0706 2 DG H C4 4103 P P . DT H 3 ? 0.5619 0.5617 0.6484 0.0059 -0.1370 0.1079 3 DT H P 4104 O OP1 . DT H 3 ? 0.5934 0.6013 0.6656 0.0142 -0.1435 0.1161 3 DT H OP1 4105 O OP2 . DT H 3 ? 0.5350 0.5268 0.6254 0.0009 -0.1204 0.1077 3 DT H OP2 4106 O "O5'" . DT H 3 ? 0.5784 0.5790 0.6549 0.0026 -0.1474 0.0936 3 DT H "O5'" 4107 C "C5'" . DT H 3 ? 0.5743 0.5828 0.6455 0.0060 -0.1628 0.0901 3 DT H "C5'" 4108 C "C4'" . DT H 3 ? 0.5922 0.6005 0.6518 0.0034 -0.1694 0.0768 3 DT H "C4'" 4109 O "O4'" . DT H 3 ? 0.5702 0.5703 0.6413 -0.0041 -0.1674 0.0696 3 DT H "O4'" 4110 C "C3'" . DT H 3 ? 0.6181 0.6256 0.6607 0.0042 -0.1638 0.0734 3 DT H "C3'" 4111 O "O3'" . DT H 3 ? 0.6608 0.6748 0.6898 0.0065 -0.1745 0.0649 3 DT H "O3'" 4112 C "C2'" . DT H 3 ? 0.5784 0.5764 0.6278 -0.0029 -0.1556 0.0673 3 DT H "C2'" 4113 C "C1'" . DT H 3 ? 0.5465 0.5419 0.6086 -0.0072 -0.1633 0.0623 3 DT H "C1'" 4114 N N1 . DT H 3 ? 0.5107 0.4972 0.5852 -0.0153 -0.1553 0.0607 3 DT H N1 4115 C C2 . DT H 3 ? 0.5046 0.4863 0.5811 -0.0207 -0.1607 0.0520 3 DT H C2 4116 O O2 . DT H 3 ? 0.5078 0.4916 0.5779 -0.0189 -0.1712 0.0450 3 DT H O2 4117 N N3 . DT H 3 ? 0.4955 0.4699 0.5820 -0.0289 -0.1529 0.0516 3 DT H N3 4118 C C4 . DT H 3 ? 0.4912 0.4632 0.5871 -0.0326 -0.1399 0.0577 3 DT H C4 4119 O O4 . DT H 3 ? 0.4838 0.4501 0.5878 -0.0411 -0.1333 0.0558 3 DT H O4 4120 C C5 . DT H 3 ? 0.4973 0.4739 0.5928 -0.0260 -0.1342 0.0665 3 DT H C5 4121 C C7 . DT H 3 ? 0.4938 0.4678 0.6014 -0.0292 -0.1190 0.0733 3 DT H C7 4122 C C6 . DT H 3 ? 0.5071 0.4905 0.5915 -0.0177 -0.1425 0.0682 3 DT H C6 4123 P P . DT H 4 ? 0.7225 0.7372 0.7344 0.0072 -0.1712 0.0579 4 DT H P 4124 O OP1 . DT H 4 ? 0.7489 0.7742 0.7455 0.0119 -0.1790 0.0573 4 DT H OP1 4125 O OP2 . DT H 4 ? 0.7073 0.7157 0.7195 0.0057 -0.1566 0.0628 4 DT H OP2 4126 O "O5'" . DT H 4 ? 0.6600 0.6704 0.6758 0.0028 -0.1764 0.0444 4 DT H "O5'" 4127 C "C5'" . DT H 4 ? 0.5460 0.5592 0.5664 0.0022 -0.1885 0.0382 4 DT H "C5'" 4128 C "C4'" . DT H 4 ? 0.5590 0.5649 0.5853 -0.0025 -0.1907 0.0280 4 DT H "C4'" 4129 O "O4'" . DT H 4 ? 0.5392 0.5359 0.5773 -0.0077 -0.1837 0.0319 4 DT H "O4'" 4130 C "C3'" . DT H 4 ? 0.5679 0.5731 0.5852 -0.0022 -0.1882 0.0199 4 DT H "C3'" 4131 O "O3'" . DT H 4 ? 0.5639 0.5689 0.5831 -0.0031 -0.1972 0.0089 4 DT H "O3'" 4132 C "C2'" . DT H 4 ? 0.5686 0.5650 0.5917 -0.0063 -0.1781 0.0225 4 DT H "C2'" 4133 C "C1'" . DT H 4 ? 0.5545 0.5453 0.5912 -0.0107 -0.1795 0.0264 4 DT H "C1'" 4134 N N1 . DT H 4 ? 0.5125 0.4973 0.5562 -0.0153 -0.1682 0.0328 4 DT H N1 4135 C C2 . DT H 4 ? 0.5040 0.4812 0.5560 -0.0220 -0.1675 0.0303 4 DT H C2 4136 O O2 . DT H 4 ? 0.5030 0.4770 0.5570 -0.0240 -0.1758 0.0239 4 DT H O2 4137 N N3 . DT H 4 ? 0.4976 0.4712 0.5557 -0.0269 -0.1562 0.0355 4 DT H N3 4138 C C4 . DT H 4 ? 0.4986 0.4744 0.5569 -0.0253 -0.1453 0.0428 4 DT H C4 4139 O O4 . DT H 4 ? 0.4926 0.4652 0.5582 -0.0306 -0.1347 0.0460 4 DT H O4 4140 C C5 . DT H 4 ? 0.5738 0.5564 0.6234 -0.0174 -0.1469 0.0463 4 DT H C5 4141 C C7 . DT H 4 ? 0.5746 0.5589 0.6237 -0.0149 -0.1354 0.0554 4 DT H C7 4142 C C6 . DT H 4 ? 0.5149 0.5020 0.5568 -0.0131 -0.1584 0.0412 4 DT H C6 4143 P P . DC H 5 ? 0.6042 0.6096 0.6175 -0.0024 -0.1971 -0.0019 5 DC H P 4144 O OP1 . DC H 5 ? 0.6185 0.6296 0.6306 -0.0012 -0.2069 -0.0118 5 DC H OP1 4145 O OP2 . DC H 5 ? 0.6312 0.6396 0.6339 -0.0003 -0.1876 0.0016 5 DC H OP2 4146 O "O5'" . DC H 5 ? 0.5795 0.5741 0.6035 -0.0068 -0.1959 -0.0043 5 DC H "O5'" 4147 C "C5'" . DC H 5 ? 0.5589 0.5475 0.5933 -0.0102 -0.2025 -0.0057 5 DC H "C5'" 4148 C "C4'" . DC H 5 ? 0.5256 0.5044 0.5673 -0.0150 -0.1998 -0.0051 5 DC H "C4'" 4149 O "O4'" . DC H 5 ? 0.5121 0.4887 0.5546 -0.0178 -0.1903 0.0040 5 DC H "O4'" 4150 C "C3'" . DC H 5 ? 0.5248 0.5027 0.5652 -0.0138 -0.1989 -0.0119 5 DC H "C3'" 4151 O "O3'" . DC H 5 ? 0.5495 0.5199 0.5985 -0.0165 -0.2055 -0.0162 5 DC H "O3'" 4152 C "C2'" . DC H 5 ? 0.5216 0.4984 0.5600 -0.0157 -0.1882 -0.0060 5 DC H "C2'" 4153 C "C1'" . DC H 5 ? 0.5082 0.4812 0.5512 -0.0202 -0.1851 0.0029 5 DC H "C1'" 4154 N N1 . DC H 5 ? 0.5046 0.4790 0.5454 -0.0213 -0.1733 0.0102 5 DC H N1 4155 C C2 . DC H 5 ? 0.4970 0.4663 0.5439 -0.0279 -0.1669 0.0143 5 DC H C2 4156 O O2 . DC H 5 ? 0.4940 0.4573 0.5462 -0.0327 -0.1718 0.0125 5 DC H O2 4157 N N3 . DC H 5 ? 0.5010 0.4719 0.5476 -0.0292 -0.1551 0.0200 5 DC H N3 4158 C C4 . DC H 5 ? 0.4995 0.4758 0.5398 -0.0239 -0.1500 0.0229 5 DC H C4 4159 N N4 . DC H 5 ? 0.5500 0.5267 0.5916 -0.0255 -0.1375 0.0287 5 DC H N4 4160 C C5 . DC H 5 ? 0.5082 0.4898 0.5405 -0.0173 -0.1569 0.0197 5 DC H C5 4161 C C6 . DC H 5 ? 0.5522 0.5332 0.5852 -0.0165 -0.1683 0.0128 5 DC H C6 4162 P P . DT H 6 ? 0.7037 0.6731 0.7559 -0.0144 -0.2085 -0.0251 6 DT H P 4163 O OP1 . DT H 6 ? 0.6975 0.6608 0.7585 -0.0154 -0.2178 -0.0300 6 DT H OP1 4164 O OP2 . DT H 6 ? 0.7085 0.6872 0.7530 -0.0097 -0.2047 -0.0304 6 DT H OP2 4165 O "O5'" . DT H 6 ? 0.6096 0.5741 0.6643 -0.0180 -0.2032 -0.0203 6 DT H "O5'" 4166 C "C5'" . DT H 6 ? 0.5983 0.5551 0.6572 -0.0242 -0.2037 -0.0135 6 DT H "C5'" 4167 C "C4'" . DT H 6 ? 0.6264 0.5822 0.6854 -0.0277 -0.1973 -0.0099 6 DT H "C4'" 4168 O "O4'" . DT H 6 ? 0.6271 0.5875 0.6808 -0.0288 -0.1866 -0.0044 6 DT H "O4'" 4169 C "C3'" . DT H 6 ? 0.6709 0.6303 0.7316 -0.0239 -0.1975 -0.0163 6 DT H "C3'" 4170 O "O3'" . DT H 6 ? 0.7161 0.6711 0.7817 -0.0281 -0.1993 -0.0141 6 DT H "O3'" 4171 C "C2'" . DT H 6 ? 0.6516 0.6187 0.7050 -0.0220 -0.1865 -0.0156 6 DT H "C2'" 4172 C "C1'" . DT H 6 ? 0.6101 0.5749 0.6618 -0.0277 -0.1800 -0.0065 6 DT H "C1'" 4173 N N1 . DT H 6 ? 0.5686 0.5390 0.6141 -0.0261 -0.1693 -0.0030 6 DT H N1 4174 C C2 . DT H 6 ? 0.4913 0.4612 0.5377 -0.0313 -0.1596 0.0033 6 DT H C2 4175 O O2 . DT H 6 ? 0.5396 0.5054 0.5905 -0.0379 -0.1596 0.0056 6 DT H O2 4176 N N3 . DT H 6 ? 0.4922 0.4664 0.5339 -0.0291 -0.1496 0.0067 6 DT H N3 4177 C C4 . DT H 6 ? 0.5223 0.5012 0.5566 -0.0226 -0.1490 0.0052 6 DT H C4 4178 O O4 . DT H 6 ? 0.5230 0.5047 0.5528 -0.0211 -0.1397 0.0099 6 DT H O4 4179 C C5 . DT H 6 ? 0.5503 0.5306 0.5826 -0.0182 -0.1596 -0.0022 6 DT H C5 4180 C C7 . DT H 6 ? 0.5835 0.5700 0.6065 -0.0123 -0.1597 -0.0051 6 DT H C7 4181 C C6 . DT H 6 ? 0.5031 0.4790 0.5420 -0.0200 -0.1688 -0.0062 6 DT H C6 4182 P P . DA H 7 ? 0.7416 0.6937 0.8163 -0.0254 -0.2086 -0.0197 7 DA H P 4183 O OP1 . DA H 7 ? 0.7247 0.6688 0.8042 -0.0258 -0.2180 -0.0200 7 DA H OP1 4184 O OP2 . DA H 7 ? 0.7395 0.6992 0.8151 -0.0193 -0.2059 -0.0281 7 DA H OP2 4185 O "O5'" . DA H 7 ? 0.5945 0.5443 0.6711 -0.0313 -0.2081 -0.0140 7 DA H "O5'" 4186 C "C5'" . DA H 7 ? 0.5607 0.5058 0.6336 -0.0394 -0.2060 -0.0058 7 DA H "C5'" 4187 C "C4'" . DA H 7 ? 0.5524 0.5028 0.6225 -0.0445 -0.1976 -0.0025 7 DA H "C4'" 4188 O "O4'" . DA H 7 ? 0.5544 0.5114 0.6193 -0.0433 -0.1859 -0.0030 7 DA H "O4'" 4189 C "C3'" . DA H 7 ? 0.5552 0.5104 0.6301 -0.0422 -0.2000 -0.0063 7 DA H "C3'" 4190 O "O3'" . DA H 7 ? 0.5709 0.5262 0.6452 -0.0501 -0.1997 -0.0009 7 DA H "O3'" 4191 C "C2'" . DA H 7 ? 0.5505 0.5152 0.6230 -0.0377 -0.1897 -0.0117 7 DA H "C2'" 4192 C "C1'" . DA H 7 ? 0.5238 0.4886 0.5889 -0.0412 -0.1797 -0.0069 7 DA H "C1'" 4193 N N9 . DA H 7 ? 0.4893 0.4592 0.5500 -0.0355 -0.1724 -0.0103 7 DA H N9 4194 C C8 . DA H 7 ? 0.4941 0.4658 0.5546 -0.0280 -0.1762 -0.0169 7 DA H C8 4195 N N7 . DA H 7 ? 0.4950 0.4714 0.5488 -0.0250 -0.1678 -0.0177 7 DA H N7 4196 C C5 . DA H 7 ? 0.4899 0.4669 0.5410 -0.0301 -0.1578 -0.0110 7 DA H C5 4197 C C6 . DA H 7 ? 0.4892 0.4695 0.5346 -0.0298 -0.1458 -0.0076 7 DA H C6 4198 N N6 . DA H 7 ? 0.4947 0.4785 0.5335 -0.0241 -0.1425 -0.0097 7 DA H N6 4199 N N1 . DA H 7 ? 0.4837 0.4634 0.5307 -0.0362 -0.1369 -0.0017 7 DA H N1 4200 C C2 . DA H 7 ? 0.4797 0.4566 0.5316 -0.0430 -0.1400 0.0002 7 DA H C2 4201 N N3 . DA H 7 ? 0.5335 0.5071 0.5889 -0.0441 -0.1515 -0.0017 7 DA H N3 4202 C C4 . DA H 7 ? 0.4860 0.4594 0.5416 -0.0370 -0.1601 -0.0072 7 DA H C4 4203 P P . DG H 8 ? 0.7980 0.7588 0.8782 -0.0494 -0.2041 -0.0029 8 DG H P 4204 O OP1 . DG H 8 ? 0.8413 0.7961 0.9217 -0.0561 -0.2129 0.0042 8 DG H OP1 4205 O OP2 . DG H 8 ? 0.7896 0.7534 0.8776 -0.0395 -0.2079 -0.0113 8 DG H OP2 4206 O "O5'" . DG H 8 ? 0.6400 0.6110 0.7160 -0.0539 -0.1907 -0.0037 8 DG H "O5'" 4207 C "C5'" . DG H 8 ? 0.6322 0.6024 0.7015 -0.0624 -0.1816 0.0015 8 DG H "C5'" 4208 C "C4'" . DG H 8 ? 0.6095 0.5888 0.6769 -0.0632 -0.1668 -0.0017 8 DG H "C4'" 4209 O "O4'" . DG H 8 ? 0.5966 0.5760 0.6626 -0.0553 -0.1619 -0.0052 8 DG H "O4'" 4210 C "C3'" . DG H 8 ? 0.5983 0.5876 0.6699 -0.0622 -0.1651 -0.0071 8 DG H "C3'" 4211 O "O3'" . DG H 8 ? 0.6235 0.6195 0.6929 -0.0712 -0.1541 -0.0059 8 DG H "O3'" 4212 C "C2'" . DG H 8 ? 0.5704 0.5635 0.6435 -0.0529 -0.1598 -0.0145 8 DG H "C2'" 4213 C "C1'" . DG H 8 ? 0.5626 0.5507 0.6296 -0.0523 -0.1531 -0.0111 8 DG H "C1'" 4214 N N9 . DG H 8 ? 0.5380 0.5263 0.6034 -0.0434 -0.1521 -0.0159 8 DG H N9 4215 C C8 . DG H 8 ? 0.5287 0.5152 0.5976 -0.0362 -0.1621 -0.0210 8 DG H C8 4216 N N7 . DG H 8 ? 0.4873 0.4754 0.5522 -0.0303 -0.1577 -0.0252 8 DG H N7 4217 C C5 . DG H 8 ? 0.4840 0.4745 0.5426 -0.0333 -0.1444 -0.0214 8 DG H C5 4218 C C6 . DG H 8 ? 0.4863 0.4789 0.5379 -0.0297 -0.1349 -0.0219 8 DG H C6 4219 O O6 . DG H 8 ? 0.4921 0.4858 0.5399 -0.0237 -0.1363 -0.0265 8 DG H O6 4220 N N1 . DG H 8 ? 0.4825 0.4760 0.5314 -0.0344 -0.1223 -0.0163 8 DG H N1 4221 C C2 . DG H 8 ? 0.4766 0.4699 0.5295 -0.0422 -0.1187 -0.0121 8 DG H C2 4222 N N2 . DG H 8 ? 0.4737 0.4681 0.5255 -0.0462 -0.1050 -0.0079 8 DG H N2 4223 N N3 . DG H 8 ? 0.4749 0.4671 0.5325 -0.0464 -0.1276 -0.0120 8 DG H N3 4224 C C4 . DG H 8 ? 0.5308 0.5213 0.5909 -0.0412 -0.1405 -0.0161 8 DG H C4 4225 P P . DA H 9 ? 0.7281 0.7370 0.8017 -0.0724 -0.1484 -0.0122 9 DA H P 4226 O OP1 . DA H 9 ? 0.7493 0.7624 0.8213 -0.0837 -0.1490 -0.0084 9 DA H OP1 4227 O OP2 . DA H 9 ? 0.7198 0.7314 0.8001 -0.0628 -0.1566 -0.0186 9 DA H OP2 4228 O "O5'" . DA H 9 ? 0.5791 0.5920 0.6505 -0.0725 -0.1301 -0.0154 9 DA H "O5'" 4229 C "C5'" . DA H 9 ? 0.5613 0.5688 0.6286 -0.0770 -0.1215 -0.0100 9 DA H "C5'" 4230 C "C4'" . DA H 9 ? 0.5617 0.5733 0.6289 -0.0758 -0.1044 -0.0130 9 DA H "C4'" 4231 O "O4'" . DA H 9 ? 0.5376 0.5456 0.6025 -0.0653 -0.1055 -0.0146 9 DA H "O4'" 4232 C "C3'" . DA H 9 ? 0.5705 0.5935 0.6414 -0.0778 -0.0956 -0.0203 9 DA H "C3'" 4233 O "O3'" . DA H 9 ? 0.6462 0.6719 0.7176 -0.0830 -0.0776 -0.0203 9 DA H "O3'" 4234 C "C2'" . DA H 9 ? 0.5234 0.5476 0.5953 -0.0669 -0.0989 -0.0267 9 DA H "C2'" 4235 C "C1'" . DA H 9 ? 0.5193 0.5343 0.5858 -0.0608 -0.0991 -0.0223 9 DA H "C1'" 4236 N N9 . DA H 9 ? 0.5129 0.5256 0.5789 -0.0512 -0.1091 -0.0263 9 DA H N9 4237 C C8 . DA H 9 ? 0.5001 0.5116 0.5704 -0.0481 -0.1244 -0.0285 9 DA H C8 4238 N N7 . DA H 9 ? 0.4766 0.4863 0.5469 -0.0398 -0.1294 -0.0332 9 DA H N7 4239 C C5 . DA H 9 ? 0.4774 0.4873 0.5409 -0.0377 -0.1171 -0.0335 9 DA H C5 4240 C C6 . DA H 9 ? 0.4863 0.4955 0.5448 -0.0308 -0.1150 -0.0375 9 DA H C6 4241 N N6 . DA H 9 ? 0.4878 0.4964 0.5489 -0.0249 -0.1250 -0.0436 9 DA H N6 4242 N N1 . DA H 9 ? 0.5016 0.5109 0.5526 -0.0307 -0.1019 -0.0349 9 DA H N1 4243 C C2 . DA H 9 ? 0.4797 0.4894 0.5306 -0.0366 -0.0910 -0.0294 9 DA H C2 4244 N N3 . DA H 9 ? 0.4735 0.4845 0.5298 -0.0439 -0.0909 -0.0266 9 DA H N3 4245 C C4 . DA H 9 ? 0.5145 0.5257 0.5759 -0.0442 -0.1047 -0.0287 9 DA H C4 4246 P P . DA H 10 ? 0.7755 0.8133 0.8514 -0.0873 -0.0641 -0.0284 10 DA H P 4247 O OP1 . DA H 10 ? 0.7925 0.8327 0.8707 -0.0986 -0.0503 -0.0263 10 DA H OP1 4248 O OP2 . DA H 10 ? 0.7806 0.8262 0.8597 -0.0861 -0.0755 -0.0340 10 DA H OP2 4249 O "O5'" . DA H 10 ? 0.5470 0.5838 0.6219 -0.0787 -0.0535 -0.0320 10 DA H "O5'" 4250 C "C5'" . DA H 10 ? 0.5005 0.5285 0.5714 -0.0751 -0.0475 -0.0257 10 DA H "C5'" 4251 C "C4'" . DA H 10 ? 0.5109 0.5386 0.5785 -0.0667 -0.0406 -0.0296 10 DA H "C4'" 4252 O "O4'" . DA H 10 ? 0.5078 0.5328 0.5718 -0.0582 -0.0554 -0.0316 10 DA H "O4'" 4253 C "C3'" . DA H 10 ? 0.5060 0.5433 0.5778 -0.0684 -0.0290 -0.0394 10 DA H "C3'" 4254 O "O3'" . DA H 10 ? 0.5433 0.5789 0.6140 -0.0684 -0.0107 -0.0386 10 DA H "O3'" 4255 C "C2'" . DA H 10 ? 0.4627 0.5023 0.5337 -0.0604 -0.0396 -0.0469 10 DA H "C2'" 4256 C "C1'" . DA H 10 ? 0.5139 0.5439 0.5780 -0.0534 -0.0510 -0.0406 10 DA H "C1'" 4257 N N9 . DA H 10 ? 0.5047 0.5351 0.5705 -0.0477 -0.0674 -0.0453 10 DA H N9 4258 C C8 . DA H 10 ? 0.4925 0.5257 0.5647 -0.0496 -0.0808 -0.0466 10 DA H C8 4259 N N7 . DA H 10 ? 0.4820 0.5138 0.5565 -0.0429 -0.0935 -0.0507 10 DA H N7 4260 C C5 . DA H 10 ? 0.4787 0.5074 0.5467 -0.0370 -0.0879 -0.0529 10 DA H C5 4261 C C6 . DA H 10 ? 0.4830 0.5099 0.5500 -0.0297 -0.0946 -0.0584 10 DA H C6 4262 N N6 . DA H 10 ? 0.4844 0.5116 0.5595 -0.0262 -0.1088 -0.0630 10 DA H N6 4263 N N1 . DA H 10 ? 0.4888 0.5135 0.5465 -0.0264 -0.0859 -0.0591 10 DA H N1 4264 C C2 . DA H 10 ? 0.4885 0.5121 0.5395 -0.0293 -0.0718 -0.0535 10 DA H C2 4265 N N3 . DA H 10 ? 0.4824 0.5068 0.5357 -0.0357 -0.0637 -0.0483 10 DA H N3 4266 C C4 . DA H 10 ? 0.4764 0.5039 0.5381 -0.0397 -0.0723 -0.0488 10 DA H C4 4267 P P . DC H 11 ? 0.6235 0.6679 0.6990 -0.0715 0.0062 -0.0486 11 DC H P 4268 O OP1 . DC H 11 ? 0.6442 0.6857 0.7220 -0.0760 0.0255 -0.0441 11 DC H OP1 4269 O OP2 . DC H 11 ? 0.6255 0.6810 0.7079 -0.0766 0.0000 -0.0566 11 DC H OP2 4270 O "O5'" . DC H 11 ? 0.5496 0.5925 0.6192 -0.0621 0.0059 -0.0540 11 DC H "O5'" 4271 C "C5'" . DC H 11 ? 0.5659 0.5993 0.6260 -0.0557 0.0073 -0.0469 11 DC H "C5'" 4272 C "C4'" . DC H 11 ? 0.5956 0.6297 0.6500 -0.0485 0.0051 -0.0545 11 DC H "C4'" 4273 O "O4'" . DC H 11 ? 0.5960 0.6307 0.6508 -0.0444 -0.0145 -0.0571 11 DC H "O4'" 4274 C "C3'" . DC H 11 ? 0.6009 0.6436 0.6611 -0.0506 0.0163 -0.0674 11 DC H "C3'" 4275 O "O3'" . DC H 11 ? 0.6491 0.6881 0.7023 -0.0485 0.0322 -0.0683 11 DC H "O3'" 4276 C "C2'" . DC H 11 ? 0.5943 0.6421 0.6580 -0.0463 0.0012 -0.0769 11 DC H "C2'" 4277 C "C1'" . DC H 11 ? 0.5753 0.6155 0.6323 -0.0410 -0.0150 -0.0691 11 DC H "C1'" 4278 N N1 . DC H 11 ? 0.5467 0.5901 0.6109 -0.0390 -0.0337 -0.0733 11 DC H N1 4279 C C2 . DC H 11 ? 0.5313 0.5725 0.5933 -0.0323 -0.0441 -0.0778 11 DC H C2 4280 O O2 . DC H 11 ? 0.5314 0.5689 0.5838 -0.0288 -0.0380 -0.0783 11 DC H O2 4281 N N3 . DC H 11 ? 0.4862 0.5296 0.5570 -0.0302 -0.0605 -0.0812 11 DC H N3 4282 C C4 . DC H 11 ? 0.4792 0.5267 0.5586 -0.0345 -0.0672 -0.0793 11 DC H C4 4283 N N4 . DC H 11 ? 0.4788 0.5275 0.5670 -0.0319 -0.0835 -0.0815 11 DC H N4 4284 C C5 . DC H 11 ? 0.4734 0.5241 0.5532 -0.0421 -0.0570 -0.0751 11 DC H C5 4285 C C6 . DC H 11 ? 0.4747 0.5233 0.5478 -0.0441 -0.0400 -0.0728 11 DC H C6 4286 P P . DC H 12 ? 0.6378 0.6843 0.6961 -0.0508 0.0477 -0.0820 12 DC H P 4287 O OP1 . DC H 12 ? 0.7132 0.7536 0.7652 -0.0516 0.0677 -0.0778 12 DC H OP1 4288 O OP2 . DC H 12 ? 0.6217 0.6792 0.6934 -0.0571 0.0465 -0.0892 12 DC H OP2 4289 O "O5'" . DC H 12 ? 0.6508 0.6992 0.7059 -0.0445 0.0383 -0.0919 12 DC H "O5'" 4290 C "C5'" . DC H 12 ? 0.6185 0.6589 0.6603 -0.0386 0.0341 -0.0873 12 DC H "C5'" 4291 C "C4'" . DC H 12 ? 0.5886 0.6329 0.6319 -0.0342 0.0234 -0.0989 12 DC H "C4'" 4292 O "O4'" . DC H 12 ? 0.5567 0.6028 0.6072 -0.0324 0.0033 -0.0976 12 DC H "O4'" 4293 C "C3'" . DC H 12 ? 0.5649 0.6186 0.6192 -0.0361 0.0306 -0.1150 12 DC H "C3'" 4294 O "O3'" . DC H 12 ? 0.5227 0.5742 0.5690 -0.0364 0.0480 -0.1205 12 DC H "O3'" 4295 C "C2'" . DC H 12 ? 0.5113 0.5688 0.5727 -0.0315 0.0129 -0.1233 12 DC H "C2'" 4296 C "C1'" . DC H 12 ? 0.5073 0.5594 0.5660 -0.0295 -0.0041 -0.1108 12 DC H "C1'" 4297 N N1 . DC H 12 ? 0.4974 0.5552 0.5703 -0.0303 -0.0191 -0.1121 12 DC H N1 4298 C C2 . DC H 12 ? 0.4984 0.5569 0.5780 -0.0255 -0.0356 -0.1169 12 DC H C2 4299 O O2 . DC H 12 ? 0.5068 0.5620 0.5806 -0.0214 -0.0367 -0.1211 12 DC H O2 4300 N N3 . DC H 12 ? 0.4913 0.5541 0.5836 -0.0259 -0.0495 -0.1166 12 DC H N3 4301 C C4 . DC H 12 ? 0.4837 0.5510 0.5804 -0.0315 -0.0477 -0.1122 12 DC H C4 4302 N N4 . DC H 12 ? 0.4788 0.5505 0.5864 -0.0321 -0.0624 -0.1112 12 DC H N4 4303 C C5 . DC H 12 ? 0.4818 0.5495 0.5721 -0.0371 -0.0302 -0.1088 12 DC H C5 4304 C C6 . DC H 12 ? 0.4887 0.5510 0.5680 -0.0359 -0.0164 -0.1086 12 DC H C6 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 HIS 1 9 ? ? ? A . n A 1 2 HIS 2 10 ? ? ? A . n A 1 3 HIS 3 11 ? ? ? A . n A 1 4 HIS 4 12 ? ? ? A . n A 1 5 HIS 5 13 ? ? ? A . n A 1 6 HIS 6 14 14 HIS HIS A . n A 1 7 VAL 7 15 15 VAL VAL A . n A 1 8 PRO 8 16 16 PRO PRO A . n A 1 9 ALA 9 17 17 ALA ALA A . n A 1 10 PHE 10 18 18 PHE PHE A . n A 1 11 LEU 11 19 19 LEU LEU A . n A 1 12 THR 12 20 20 THR THR A . n A 1 13 LYS 13 21 21 LYS LYS A . n A 1 14 LEU 14 22 22 LEU LEU A . n A 1 15 TRP 15 23 23 TRP TRP A . n A 1 16 THR 16 24 24 THR THR A . n A 1 17 LEU 17 25 25 LEU LEU A . n A 1 18 VAL 18 26 26 VAL VAL A . n A 1 19 SER 19 27 27 SER SER A . n A 1 20 ASP 20 28 28 ASP ASP A . n A 1 21 PRO 21 29 29 PRO PRO A . n A 1 22 ASP 22 30 30 ASP ASP A . n A 1 23 THR 23 31 31 THR THR A . n A 1 24 ASP 24 32 32 ASP ASP A . n A 1 25 ALA 25 33 33 ALA ALA A . n A 1 26 LEU 26 34 34 LEU LEU A . n A 1 27 ILE 27 35 35 ILE ILE A . n A 1 28 CYS 28 36 36 CYS CYS A . n A 1 29 TRP 29 37 37 TRP TRP A . n A 1 30 SER 30 38 38 SER SER A . n A 1 31 PRO 31 39 39 PRO PRO A . n A 1 32 SER 32 40 40 SER SER A . n A 1 33 GLY 33 41 41 GLY GLY A . n A 1 34 ASN 34 42 42 ASN ASN A . n A 1 35 SER 35 43 43 SER SER A . n A 1 36 PHE 36 44 44 PHE PHE A . n A 1 37 HIS 37 45 45 HIS HIS A . n A 1 38 VAL 38 46 46 VAL VAL A . n A 1 39 PHE 39 47 47 PHE PHE A . n A 1 40 ASP 40 48 48 ASP ASP A . n A 1 41 GLN 41 49 49 GLN GLN A . n A 1 42 GLY 42 50 50 GLY GLY A . n A 1 43 GLN 43 51 51 GLN GLN A . n A 1 44 PHE 44 52 52 PHE PHE A . n A 1 45 ALA 45 53 53 ALA ALA A . n A 1 46 LYS 46 54 54 LYS LYS A . n A 1 47 GLU 47 55 55 GLU GLU A . n A 1 48 VAL 48 56 56 VAL VAL A . n A 1 49 LEU 49 57 57 LEU LEU A . n A 1 50 PRO 50 58 58 PRO PRO A . n A 1 51 LYS 51 59 59 LYS LYS A . n A 1 52 TYR 52 60 60 TYR TYR A . n A 1 53 PHE 53 61 61 PHE PHE A . n A 1 54 LYS 54 62 62 LYS LYS A . n A 1 55 HIS 55 63 63 HIS HIS A . n A 1 56 ASN 56 64 64 ASN ASN A . n A 1 57 ASN 57 65 65 ASN ASN A . n A 1 58 MET 58 66 66 MET MET A . n A 1 59 ALA 59 67 67 ALA ALA A . n A 1 60 SER 60 68 68 SER SER A . n A 1 61 PHE 61 69 69 PHE PHE A . n A 1 62 VAL 62 70 70 VAL VAL A . n A 1 63 ARG 63 71 71 ARG ARG A . n A 1 64 GLN 64 72 72 GLN GLN A . n A 1 65 LEU 65 73 73 LEU LEU A . n A 1 66 ASN 66 74 74 ASN ASN A . n A 1 67 MET 67 75 75 MET MET A . n A 1 68 TYR 68 76 76 TYR TYR A . n A 1 69 GLY 69 77 77 GLY GLY A . n A 1 70 PHE 70 78 78 PHE PHE A . n A 1 71 ARG 71 79 79 ARG ARG A . n A 1 72 LYS 72 80 80 LYS LYS A . n A 1 73 VAL 73 81 81 VAL VAL A . n A 1 74 VAL 74 82 82 VAL VAL A . n A 1 75 HIS 75 83 83 HIS HIS A . n A 1 76 ILE 76 84 84 ILE ILE A . n A 1 77 GLU 77 85 85 GLU GLU A . n A 1 78 GLN 78 86 ? ? ? A . n A 1 79 GLY 79 87 ? ? ? A . n A 1 80 GLY 80 88 ? ? ? A . n A 1 81 LEU 81 89 ? ? ? A . n A 1 82 VAL 82 90 90 VAL VAL A . n A 1 83 LYS 83 91 91 LYS LYS A . n A 1 84 PRO 84 92 92 PRO PRO A . n A 1 85 GLU 85 93 93 GLU GLU A . n A 1 86 ARG 86 94 94 ARG ARG A . n A 1 87 ASP 87 95 95 ASP ASP A . n A 1 88 ASP 88 96 96 ASP ASP A . n A 1 89 THR 89 97 97 THR THR A . n A 1 90 GLU 90 98 98 GLU GLU A . n A 1 91 PHE 91 99 99 PHE PHE A . n A 1 92 GLN 92 100 100 GLN GLN A . n A 1 93 HIS 93 101 101 HIS HIS A . n A 1 94 PRO 94 102 102 PRO PRO A . n A 1 95 CYS 95 103 103 CYS CYS A . n A 1 96 PHE 96 104 104 PHE PHE A . n A 1 97 LEU 97 105 105 LEU LEU A . n A 1 98 ARG 98 106 106 ARG ARG A . n A 1 99 GLY 99 107 107 GLY GLY A . n A 1 100 GLN 100 108 108 GLN GLN A . n A 1 101 GLU 101 109 109 GLU GLU A . n A 1 102 GLN 102 110 110 GLN GLN A . n A 1 103 LEU 103 111 111 LEU LEU A . n A 1 104 LEU 104 112 112 LEU LEU A . n A 1 105 GLU 105 113 113 GLU GLU A . n A 1 106 ASN 106 114 114 ASN ASN A . n A 1 107 ILE 107 115 115 ILE ILE A . n A 1 108 LYS 108 116 116 LYS LYS A . n A 1 109 ARG 109 117 117 ARG ARG A . n A 1 110 LYS 110 118 118 LYS LYS A . n A 1 111 VAL 111 119 ? ? ? A . n A 1 112 THR 112 120 ? ? ? A . n B 1 1 HIS 1 9 ? ? ? B . n B 1 2 HIS 2 10 ? ? ? B . n B 1 3 HIS 3 11 ? ? ? B . n B 1 4 HIS 4 12 ? ? ? B . n B 1 5 HIS 5 13 13 HIS HIS B . n B 1 6 HIS 6 14 14 HIS HIS B . n B 1 7 VAL 7 15 15 VAL VAL B . n B 1 8 PRO 8 16 16 PRO PRO B . n B 1 9 ALA 9 17 17 ALA ALA B . n B 1 10 PHE 10 18 18 PHE PHE B . n B 1 11 LEU 11 19 19 LEU LEU B . n B 1 12 THR 12 20 20 THR THR B . n B 1 13 LYS 13 21 21 LYS LYS B . n B 1 14 LEU 14 22 22 LEU LEU B . n B 1 15 TRP 15 23 23 TRP TRP B . n B 1 16 THR 16 24 24 THR THR B . n B 1 17 LEU 17 25 25 LEU LEU B . n B 1 18 VAL 18 26 26 VAL VAL B . n B 1 19 SER 19 27 27 SER SER B . n B 1 20 ASP 20 28 28 ASP ASP B . n B 1 21 PRO 21 29 29 PRO PRO B . n B 1 22 ASP 22 30 30 ASP ASP B . n B 1 23 THR 23 31 31 THR THR B . n B 1 24 ASP 24 32 32 ASP ASP B . n B 1 25 ALA 25 33 33 ALA ALA B . n B 1 26 LEU 26 34 34 LEU LEU B . n B 1 27 ILE 27 35 35 ILE ILE B . n B 1 28 CYS 28 36 36 CYS CYS B . n B 1 29 TRP 29 37 37 TRP TRP B . n B 1 30 SER 30 38 38 SER SER B . n B 1 31 PRO 31 39 39 PRO PRO B . n B 1 32 SER 32 40 40 SER SER B . n B 1 33 GLY 33 41 41 GLY GLY B . n B 1 34 ASN 34 42 42 ASN ASN B . n B 1 35 SER 35 43 43 SER SER B . n B 1 36 PHE 36 44 44 PHE PHE B . n B 1 37 HIS 37 45 45 HIS HIS B . n B 1 38 VAL 38 46 46 VAL VAL B . n B 1 39 PHE 39 47 47 PHE PHE B . n B 1 40 ASP 40 48 48 ASP ASP B . n B 1 41 GLN 41 49 49 GLN GLN B . n B 1 42 GLY 42 50 50 GLY GLY B . n B 1 43 GLN 43 51 51 GLN GLN B . n B 1 44 PHE 44 52 52 PHE PHE B . n B 1 45 ALA 45 53 53 ALA ALA B . n B 1 46 LYS 46 54 54 LYS LYS B . n B 1 47 GLU 47 55 55 GLU GLU B . n B 1 48 VAL 48 56 56 VAL VAL B . n B 1 49 LEU 49 57 57 LEU LEU B . n B 1 50 PRO 50 58 58 PRO PRO B . n B 1 51 LYS 51 59 59 LYS LYS B . n B 1 52 TYR 52 60 60 TYR TYR B . n B 1 53 PHE 53 61 61 PHE PHE B . n B 1 54 LYS 54 62 62 LYS LYS B . n B 1 55 HIS 55 63 63 HIS HIS B . n B 1 56 ASN 56 64 64 ASN ASN B . n B 1 57 ASN 57 65 65 ASN ASN B . n B 1 58 MET 58 66 66 MET MET B . n B 1 59 ALA 59 67 67 ALA ALA B . n B 1 60 SER 60 68 68 SER SER B . n B 1 61 PHE 61 69 69 PHE PHE B . n B 1 62 VAL 62 70 70 VAL VAL B . n B 1 63 ARG 63 71 71 ARG ARG B . n B 1 64 GLN 64 72 72 GLN GLN B . n B 1 65 LEU 65 73 73 LEU LEU B . n B 1 66 ASN 66 74 74 ASN ASN B . n B 1 67 MET 67 75 75 MET MET B . n B 1 68 TYR 68 76 76 TYR TYR B . n B 1 69 GLY 69 77 77 GLY GLY B . n B 1 70 PHE 70 78 78 PHE PHE B . n B 1 71 ARG 71 79 79 ARG ARG B . n B 1 72 LYS 72 80 80 LYS LYS B . n B 1 73 VAL 73 81 81 VAL VAL B . n B 1 74 VAL 74 82 82 VAL VAL B . n B 1 75 HIS 75 83 83 HIS HIS B . n B 1 76 ILE 76 84 84 ILE ILE B . n B 1 77 GLU 77 85 85 GLU GLU B . n B 1 78 GLN 78 86 86 GLN GLN B . n B 1 79 GLY 79 87 ? ? ? B . n B 1 80 GLY 80 88 ? ? ? B . n B 1 81 LEU 81 89 ? ? ? B . n B 1 82 VAL 82 90 ? ? ? B . n B 1 83 LYS 83 91 ? ? ? B . n B 1 84 PRO 84 92 ? ? ? B . n B 1 85 GLU 85 93 ? ? ? B . n B 1 86 ARG 86 94 94 ARG ARG B . n B 1 87 ASP 87 95 95 ASP ASP B . n B 1 88 ASP 88 96 96 ASP ASP B . n B 1 89 THR 89 97 97 THR THR B . n B 1 90 GLU 90 98 98 GLU GLU B . n B 1 91 PHE 91 99 99 PHE PHE B . n B 1 92 GLN 92 100 100 GLN GLN B . n B 1 93 HIS 93 101 101 HIS HIS B . n B 1 94 PRO 94 102 102 PRO PRO B . n B 1 95 CYS 95 103 103 CYS CYS B . n B 1 96 PHE 96 104 104 PHE PHE B . n B 1 97 LEU 97 105 105 LEU LEU B . n B 1 98 ARG 98 106 106 ARG ARG B . n B 1 99 GLY 99 107 107 GLY GLY B . n B 1 100 GLN 100 108 108 GLN GLN B . n B 1 101 GLU 101 109 109 GLU GLU B . n B 1 102 GLN 102 110 110 GLN GLN B . n B 1 103 LEU 103 111 111 LEU LEU B . n B 1 104 LEU 104 112 112 LEU LEU B . n B 1 105 GLU 105 113 113 GLU GLU B . n B 1 106 ASN 106 114 114 ASN ASN B . n B 1 107 ILE 107 115 115 ILE ILE B . n B 1 108 LYS 108 116 116 LYS LYS B . n B 1 109 ARG 109 117 117 ARG ARG B . n B 1 110 LYS 110 118 118 LYS LYS B . n B 1 111 VAL 111 119 ? ? ? B . n B 1 112 THR 112 120 ? ? ? B . n C 2 1 DG 1 1 1 DG DG E . n C 2 2 DG 2 2 2 DG DG E . n C 2 3 DT 3 3 3 DT DT E . n C 2 4 DT 4 4 4 DT DT E . n C 2 5 DC 5 5 5 DC DC E . n C 2 6 DT 6 6 6 DT DT E . n C 2 7 DA 7 7 7 DA DA E . n C 2 8 DG 8 8 8 DG DG E . n C 2 9 DA 9 9 9 DA DA E . n C 2 10 DA 10 10 10 DA DA E . n C 2 11 DC 11 11 11 DC DC E . n C 2 12 DC 12 12 12 DC DC E . n D 2 1 DG 1 1 1 DG DG F . n D 2 2 DG 2 2 2 DG DG F . n D 2 3 DT 3 3 3 DT DT F . n D 2 4 DT 4 4 4 DT DT F . n D 2 5 DC 5 5 5 DC DC F . n D 2 6 DT 6 6 6 DT DT F . n D 2 7 DA 7 7 7 DA DA F . n D 2 8 DG 8 8 8 DG DG F . n D 2 9 DA 9 9 9 DA DA F . n D 2 10 DA 10 10 10 DA DA F . n D 2 11 DC 11 11 11 DC DC F . n D 2 12 DC 12 12 12 DC DC F . n E 1 1 HIS 1 9 ? ? ? C . n E 1 2 HIS 2 10 ? ? ? C . n E 1 3 HIS 3 11 ? ? ? C . n E 1 4 HIS 4 12 12 HIS HIS C . n E 1 5 HIS 5 13 13 HIS HIS C . n E 1 6 HIS 6 14 14 HIS HIS C . n E 1 7 VAL 7 15 15 VAL VAL C . n E 1 8 PRO 8 16 16 PRO PRO C . n E 1 9 ALA 9 17 17 ALA ALA C . n E 1 10 PHE 10 18 18 PHE PHE C . n E 1 11 LEU 11 19 19 LEU LEU C . n E 1 12 THR 12 20 20 THR THR C . n E 1 13 LYS 13 21 21 LYS LYS C . n E 1 14 LEU 14 22 22 LEU LEU C . n E 1 15 TRP 15 23 23 TRP TRP C . n E 1 16 THR 16 24 24 THR THR C . n E 1 17 LEU 17 25 25 LEU LEU C . n E 1 18 VAL 18 26 26 VAL VAL C . n E 1 19 SER 19 27 27 SER SER C . n E 1 20 ASP 20 28 28 ASP ASP C . n E 1 21 PRO 21 29 29 PRO PRO C . n E 1 22 ASP 22 30 30 ASP ASP C . n E 1 23 THR 23 31 31 THR THR C . n E 1 24 ASP 24 32 32 ASP ASP C . n E 1 25 ALA 25 33 33 ALA ALA C . n E 1 26 LEU 26 34 34 LEU LEU C . n E 1 27 ILE 27 35 35 ILE ILE C . n E 1 28 CYS 28 36 36 CYS CYS C . n E 1 29 TRP 29 37 37 TRP TRP C . n E 1 30 SER 30 38 38 SER SER C . n E 1 31 PRO 31 39 39 PRO PRO C . n E 1 32 SER 32 40 40 SER SER C . n E 1 33 GLY 33 41 41 GLY GLY C . n E 1 34 ASN 34 42 42 ASN ASN C . n E 1 35 SER 35 43 43 SER SER C . n E 1 36 PHE 36 44 44 PHE PHE C . n E 1 37 HIS 37 45 45 HIS HIS C . n E 1 38 VAL 38 46 46 VAL VAL C . n E 1 39 PHE 39 47 47 PHE PHE C . n E 1 40 ASP 40 48 48 ASP ASP C . n E 1 41 GLN 41 49 49 GLN GLN C . n E 1 42 GLY 42 50 50 GLY GLY C . n E 1 43 GLN 43 51 51 GLN GLN C . n E 1 44 PHE 44 52 52 PHE PHE C . n E 1 45 ALA 45 53 53 ALA ALA C . n E 1 46 LYS 46 54 54 LYS LYS C . n E 1 47 GLU 47 55 55 GLU GLU C . n E 1 48 VAL 48 56 56 VAL VAL C . n E 1 49 LEU 49 57 57 LEU LEU C . n E 1 50 PRO 50 58 58 PRO PRO C . n E 1 51 LYS 51 59 59 LYS LYS C . n E 1 52 TYR 52 60 60 TYR TYR C . n E 1 53 PHE 53 61 61 PHE PHE C . n E 1 54 LYS 54 62 62 LYS LYS C . n E 1 55 HIS 55 63 63 HIS HIS C . n E 1 56 ASN 56 64 64 ASN ASN C . n E 1 57 ASN 57 65 65 ASN ASN C . n E 1 58 MET 58 66 66 MET MET C . n E 1 59 ALA 59 67 67 ALA ALA C . n E 1 60 SER 60 68 68 SER SER C . n E 1 61 PHE 61 69 69 PHE PHE C . n E 1 62 VAL 62 70 70 VAL VAL C . n E 1 63 ARG 63 71 71 ARG ARG C . n E 1 64 GLN 64 72 72 GLN GLN C . n E 1 65 LEU 65 73 73 LEU LEU C . n E 1 66 ASN 66 74 74 ASN ASN C . n E 1 67 MET 67 75 75 MET MET C . n E 1 68 TYR 68 76 76 TYR TYR C . n E 1 69 GLY 69 77 77 GLY GLY C . n E 1 70 PHE 70 78 78 PHE PHE C . n E 1 71 ARG 71 79 79 ARG ARG C . n E 1 72 LYS 72 80 80 LYS LYS C . n E 1 73 VAL 73 81 81 VAL VAL C . n E 1 74 VAL 74 82 82 VAL VAL C . n E 1 75 HIS 75 83 83 HIS HIS C . n E 1 76 ILE 76 84 84 ILE ILE C . n E 1 77 GLU 77 85 85 GLU GLU C . n E 1 78 GLN 78 86 86 GLN GLN C . n E 1 79 GLY 79 87 87 GLY GLY C . n E 1 80 GLY 80 88 88 GLY GLY C . n E 1 81 LEU 81 89 89 LEU LEU C . n E 1 82 VAL 82 90 90 VAL VAL C . n E 1 83 LYS 83 91 91 LYS LYS C . n E 1 84 PRO 84 92 92 PRO PRO C . n E 1 85 GLU 85 93 93 GLU GLU C . n E 1 86 ARG 86 94 94 ARG ARG C . n E 1 87 ASP 87 95 95 ASP ASP C . n E 1 88 ASP 88 96 96 ASP ASP C . n E 1 89 THR 89 97 97 THR THR C . n E 1 90 GLU 90 98 98 GLU GLU C . n E 1 91 PHE 91 99 99 PHE PHE C . n E 1 92 GLN 92 100 100 GLN GLN C . n E 1 93 HIS 93 101 101 HIS HIS C . n E 1 94 PRO 94 102 102 PRO PRO C . n E 1 95 CYS 95 103 103 CYS CYS C . n E 1 96 PHE 96 104 104 PHE PHE C . n E 1 97 LEU 97 105 105 LEU LEU C . n E 1 98 ARG 98 106 106 ARG ARG C . n E 1 99 GLY 99 107 107 GLY GLY C . n E 1 100 GLN 100 108 108 GLN GLN C . n E 1 101 GLU 101 109 109 GLU GLU C . n E 1 102 GLN 102 110 110 GLN GLN C . n E 1 103 LEU 103 111 111 LEU LEU C . n E 1 104 LEU 104 112 112 LEU LEU C . n E 1 105 GLU 105 113 113 GLU GLU C . n E 1 106 ASN 106 114 114 ASN ASN C . n E 1 107 ILE 107 115 115 ILE ILE C . n E 1 108 LYS 108 116 116 LYS LYS C . n E 1 109 ARG 109 117 117 ARG ARG C . n E 1 110 LYS 110 118 118 LYS LYS C . n E 1 111 VAL 111 119 ? ? ? C . n E 1 112 THR 112 120 ? ? ? C . n F 1 1 HIS 1 9 ? ? ? D . n F 1 2 HIS 2 10 ? ? ? D . n F 1 3 HIS 3 11 ? ? ? D . n F 1 4 HIS 4 12 ? ? ? D . n F 1 5 HIS 5 13 ? ? ? D . n F 1 6 HIS 6 14 14 HIS HIS D . n F 1 7 VAL 7 15 15 VAL VAL D . n F 1 8 PRO 8 16 16 PRO PRO D . n F 1 9 ALA 9 17 17 ALA ALA D . n F 1 10 PHE 10 18 18 PHE PHE D . n F 1 11 LEU 11 19 19 LEU LEU D . n F 1 12 THR 12 20 20 THR THR D . n F 1 13 LYS 13 21 21 LYS LYS D . n F 1 14 LEU 14 22 22 LEU LEU D . n F 1 15 TRP 15 23 23 TRP TRP D . n F 1 16 THR 16 24 24 THR THR D . n F 1 17 LEU 17 25 25 LEU LEU D . n F 1 18 VAL 18 26 26 VAL VAL D . n F 1 19 SER 19 27 27 SER SER D . n F 1 20 ASP 20 28 28 ASP ASP D . n F 1 21 PRO 21 29 29 PRO PRO D . n F 1 22 ASP 22 30 30 ASP ASP D . n F 1 23 THR 23 31 31 THR THR D . n F 1 24 ASP 24 32 32 ASP ASP D . n F 1 25 ALA 25 33 33 ALA ALA D . n F 1 26 LEU 26 34 34 LEU LEU D . n F 1 27 ILE 27 35 35 ILE ILE D . n F 1 28 CYS 28 36 36 CYS CYS D . n F 1 29 TRP 29 37 37 TRP TRP D . n F 1 30 SER 30 38 38 SER SER D . n F 1 31 PRO 31 39 39 PRO PRO D . n F 1 32 SER 32 40 40 SER SER D . n F 1 33 GLY 33 41 41 GLY GLY D . n F 1 34 ASN 34 42 42 ASN ASN D . n F 1 35 SER 35 43 43 SER SER D . n F 1 36 PHE 36 44 44 PHE PHE D . n F 1 37 HIS 37 45 45 HIS HIS D . n F 1 38 VAL 38 46 46 VAL VAL D . n F 1 39 PHE 39 47 47 PHE PHE D . n F 1 40 ASP 40 48 48 ASP ASP D . n F 1 41 GLN 41 49 49 GLN GLN D . n F 1 42 GLY 42 50 50 GLY GLY D . n F 1 43 GLN 43 51 51 GLN GLN D . n F 1 44 PHE 44 52 52 PHE PHE D . n F 1 45 ALA 45 53 53 ALA ALA D . n F 1 46 LYS 46 54 54 LYS LYS D . n F 1 47 GLU 47 55 55 GLU GLU D . n F 1 48 VAL 48 56 56 VAL VAL D . n F 1 49 LEU 49 57 57 LEU LEU D . n F 1 50 PRO 50 58 58 PRO PRO D . n F 1 51 LYS 51 59 59 LYS LYS D . n F 1 52 TYR 52 60 60 TYR TYR D . n F 1 53 PHE 53 61 61 PHE PHE D . n F 1 54 LYS 54 62 62 LYS LYS D . n F 1 55 HIS 55 63 63 HIS HIS D . n F 1 56 ASN 56 64 64 ASN ASN D . n F 1 57 ASN 57 65 65 ASN ASN D . n F 1 58 MET 58 66 66 MET MET D . n F 1 59 ALA 59 67 67 ALA ALA D . n F 1 60 SER 60 68 68 SER SER D . n F 1 61 PHE 61 69 69 PHE PHE D . n F 1 62 VAL 62 70 70 VAL VAL D . n F 1 63 ARG 63 71 71 ARG ARG D . n F 1 64 GLN 64 72 72 GLN GLN D . n F 1 65 LEU 65 73 73 LEU LEU D . n F 1 66 ASN 66 74 74 ASN ASN D . n F 1 67 MET 67 75 75 MET MET D . n F 1 68 TYR 68 76 76 TYR TYR D . n F 1 69 GLY 69 77 77 GLY GLY D . n F 1 70 PHE 70 78 78 PHE PHE D . n F 1 71 ARG 71 79 79 ARG ARG D . n F 1 72 LYS 72 80 80 LYS LYS D . n F 1 73 VAL 73 81 81 VAL VAL D . n F 1 74 VAL 74 82 82 VAL VAL D . n F 1 75 HIS 75 83 83 HIS HIS D . n F 1 76 ILE 76 84 84 ILE ILE D . n F 1 77 GLU 77 85 ? ? ? D . n F 1 78 GLN 78 86 ? ? ? D . n F 1 79 GLY 79 87 ? ? ? D . n F 1 80 GLY 80 88 ? ? ? D . n F 1 81 LEU 81 89 ? ? ? D . n F 1 82 VAL 82 90 ? ? ? D . n F 1 83 LYS 83 91 ? ? ? D . n F 1 84 PRO 84 92 ? ? ? D . n F 1 85 GLU 85 93 ? ? ? D . n F 1 86 ARG 86 94 ? ? ? D . n F 1 87 ASP 87 95 ? ? ? D . n F 1 88 ASP 88 96 96 ASP ASP D . n F 1 89 THR 89 97 97 THR THR D . n F 1 90 GLU 90 98 98 GLU GLU D . n F 1 91 PHE 91 99 99 PHE PHE D . n F 1 92 GLN 92 100 100 GLN GLN D . n F 1 93 HIS 93 101 101 HIS HIS D . n F 1 94 PRO 94 102 102 PRO PRO D . n F 1 95 CYS 95 103 103 CYS CYS D . n F 1 96 PHE 96 104 104 PHE PHE D . n F 1 97 LEU 97 105 105 LEU LEU D . n F 1 98 ARG 98 106 106 ARG ARG D . n F 1 99 GLY 99 107 107 GLY GLY D . n F 1 100 GLN 100 108 108 GLN GLN D . n F 1 101 GLU 101 109 109 GLU GLU D . n F 1 102 GLN 102 110 110 GLN GLN D . n F 1 103 LEU 103 111 111 LEU LEU D . n F 1 104 LEU 104 112 112 LEU LEU D . n F 1 105 GLU 105 113 113 GLU GLU D . n F 1 106 ASN 106 114 114 ASN ASN D . n F 1 107 ILE 107 115 115 ILE ILE D . n F 1 108 LYS 108 116 116 LYS LYS D . n F 1 109 ARG 109 117 117 ARG ARG D . n F 1 110 LYS 110 118 118 LYS LYS D . n F 1 111 VAL 111 119 ? ? ? D . n F 1 112 THR 112 120 ? ? ? D . n G 2 1 DG 1 1 1 DG DG G . n G 2 2 DG 2 2 2 DG DG G . n G 2 3 DT 3 3 3 DT DT G . n G 2 4 DT 4 4 4 DT DT G . n G 2 5 DC 5 5 5 DC DC G . n G 2 6 DT 6 6 6 DT DT G . n G 2 7 DA 7 7 7 DA DA G . n G 2 8 DG 8 8 8 DG DG G . n G 2 9 DA 9 9 9 DA DA G . n G 2 10 DA 10 10 10 DA DA G . n G 2 11 DC 11 11 11 DC DC G . n G 2 12 DC 12 12 12 DC DC G . n H 2 1 DG 1 1 1 DG DG H . n H 2 2 DG 2 2 2 DG DG H . n H 2 3 DT 3 3 3 DT DT H . n H 2 4 DT 4 4 4 DT DT H . n H 2 5 DC 5 5 5 DC DC H . n H 2 6 DT 6 6 6 DT DT H . n H 2 7 DA 7 7 7 DA DA H . n H 2 8 DG 8 8 8 DG DG H . n H 2 9 DA 9 9 9 DA DA H . n H 2 10 DA 10 10 10 DA DA H . n H 2 11 DC 11 11 11 DC DC H . n H 2 12 DC 12 12 12 DC DC H . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code I 3 CIT 1 201 1 CIT CIT A . J 4 NA 1 202 2 NA NA A . K 4 NA 1 201 1 NA NA B . L 4 NA 1 201 3 NA NA D . M 5 HOH 1 301 638 HOH HOH A . M 5 HOH 2 302 76 HOH HOH A . M 5 HOH 3 303 492 HOH HOH A . M 5 HOH 4 304 193 HOH HOH A . M 5 HOH 5 305 640 HOH HOH A . M 5 HOH 6 306 288 HOH HOH A . M 5 HOH 7 307 272 HOH HOH A . M 5 HOH 8 308 692 HOH HOH A . M 5 HOH 9 309 43 HOH HOH A . M 5 HOH 10 310 119 HOH HOH A . M 5 HOH 11 311 313 HOH HOH A . M 5 HOH 12 312 180 HOH HOH A . M 5 HOH 13 313 337 HOH HOH A . M 5 HOH 14 314 673 HOH HOH A . M 5 HOH 15 315 90 HOH HOH A . M 5 HOH 16 316 6 HOH HOH A . M 5 HOH 17 317 576 HOH HOH A . M 5 HOH 18 318 217 HOH HOH A . M 5 HOH 19 319 17 HOH HOH A . M 5 HOH 20 320 364 HOH HOH A . M 5 HOH 21 321 535 HOH HOH A . M 5 HOH 22 322 264 HOH HOH A . M 5 HOH 23 323 3 HOH HOH A . M 5 HOH 24 324 94 HOH HOH A . M 5 HOH 25 325 100 HOH HOH A . M 5 HOH 26 326 230 HOH HOH A . M 5 HOH 27 327 24 HOH HOH A . M 5 HOH 28 328 2 HOH HOH A . M 5 HOH 29 329 55 HOH HOH A . M 5 HOH 30 330 135 HOH HOH A . M 5 HOH 31 331 284 HOH HOH A . M 5 HOH 32 332 166 HOH HOH A . M 5 HOH 33 333 688 HOH HOH A . M 5 HOH 34 334 655 HOH HOH A . M 5 HOH 35 335 336 HOH HOH A . M 5 HOH 36 336 634 HOH HOH A . M 5 HOH 37 337 427 HOH HOH A . M 5 HOH 38 338 10 HOH HOH A . M 5 HOH 39 339 354 HOH HOH A . M 5 HOH 40 340 39 HOH HOH A . M 5 HOH 41 341 28 HOH HOH A . M 5 HOH 42 342 643 HOH HOH A . M 5 HOH 43 343 203 HOH HOH A . M 5 HOH 44 344 351 HOH HOH A . M 5 HOH 45 345 502 HOH HOH A . M 5 HOH 46 346 196 HOH HOH A . M 5 HOH 47 347 306 HOH HOH A . M 5 HOH 48 348 25 HOH HOH A . M 5 HOH 49 349 445 HOH HOH A . M 5 HOH 50 350 52 HOH HOH A . M 5 HOH 51 351 396 HOH HOH A . M 5 HOH 52 352 68 HOH HOH A . M 5 HOH 53 353 190 HOH HOH A . M 5 HOH 54 354 146 HOH HOH A . M 5 HOH 55 355 696 HOH HOH A . M 5 HOH 56 356 221 HOH HOH A . M 5 HOH 57 357 49 HOH HOH A . M 5 HOH 58 358 609 HOH HOH A . M 5 HOH 59 359 187 HOH HOH A . M 5 HOH 60 360 267 HOH HOH A . M 5 HOH 61 361 541 HOH HOH A . M 5 HOH 62 362 645 HOH HOH A . M 5 HOH 63 363 362 HOH HOH A . M 5 HOH 64 364 27 HOH HOH A . M 5 HOH 65 365 16 HOH HOH A . M 5 HOH 66 366 58 HOH HOH A . M 5 HOH 67 367 424 HOH HOH A . M 5 HOH 68 368 89 HOH HOH A . M 5 HOH 69 369 106 HOH HOH A . M 5 HOH 70 370 88 HOH HOH A . M 5 HOH 71 371 29 HOH HOH A . M 5 HOH 72 372 228 HOH HOH A . M 5 HOH 73 373 369 HOH HOH A . M 5 HOH 74 374 13 HOH HOH A . M 5 HOH 75 375 48 HOH HOH A . M 5 HOH 76 376 144 HOH HOH A . M 5 HOH 77 377 202 HOH HOH A . M 5 HOH 78 378 358 HOH HOH A . M 5 HOH 79 379 189 HOH HOH A . M 5 HOH 80 380 488 HOH HOH A . M 5 HOH 81 381 371 HOH HOH A . M 5 HOH 82 382 574 HOH HOH A . M 5 HOH 83 383 198 HOH HOH A . M 5 HOH 84 384 63 HOH HOH A . M 5 HOH 85 385 103 HOH HOH A . M 5 HOH 86 386 647 HOH HOH A . M 5 HOH 87 387 446 HOH HOH A . M 5 HOH 88 388 113 HOH HOH A . M 5 HOH 89 389 370 HOH HOH A . M 5 HOH 90 390 666 HOH HOH A . M 5 HOH 91 391 550 HOH HOH A . M 5 HOH 92 392 45 HOH HOH A . M 5 HOH 93 393 124 HOH HOH A . M 5 HOH 94 394 662 HOH HOH A . M 5 HOH 95 395 138 HOH HOH A . M 5 HOH 96 396 497 HOH HOH A . M 5 HOH 97 397 506 HOH HOH A . M 5 HOH 98 398 680 HOH HOH A . M 5 HOH 99 399 311 HOH HOH A . M 5 HOH 100 400 608 HOH HOH A . M 5 HOH 101 401 181 HOH HOH A . M 5 HOH 102 402 588 HOH HOH A . M 5 HOH 103 403 211 HOH HOH A . M 5 HOH 104 404 428 HOH HOH A . M 5 HOH 105 405 419 HOH HOH A . M 5 HOH 106 406 618 HOH HOH A . M 5 HOH 107 407 95 HOH HOH A . M 5 HOH 108 408 568 HOH HOH A . M 5 HOH 109 409 598 HOH HOH A . M 5 HOH 110 410 352 HOH HOH A . M 5 HOH 111 411 623 HOH HOH A . M 5 HOH 112 412 176 HOH HOH A . M 5 HOH 113 413 503 HOH HOH A . M 5 HOH 114 414 507 HOH HOH A . M 5 HOH 115 415 410 HOH HOH A . M 5 HOH 116 416 470 HOH HOH A . M 5 HOH 117 417 678 HOH HOH A . M 5 HOH 118 418 628 HOH HOH A . M 5 HOH 119 419 254 HOH HOH A . M 5 HOH 120 420 256 HOH HOH A . M 5 HOH 121 421 263 HOH HOH A . M 5 HOH 122 422 195 HOH HOH A . M 5 HOH 123 423 610 HOH HOH A . M 5 HOH 124 424 259 HOH HOH A . M 5 HOH 125 425 594 HOH HOH A . M 5 HOH 126 426 620 HOH HOH A . M 5 HOH 127 427 312 HOH HOH A . M 5 HOH 128 428 644 HOH HOH A . M 5 HOH 129 429 437 HOH HOH A . M 5 HOH 130 430 572 HOH HOH A . M 5 HOH 131 431 700 HOH HOH A . M 5 HOH 132 432 607 HOH HOH A . M 5 HOH 133 433 615 HOH HOH A . M 5 HOH 134 434 619 HOH HOH A . M 5 HOH 135 435 386 HOH HOH A . M 5 HOH 136 436 148 HOH HOH A . M 5 HOH 137 437 261 HOH HOH A . M 5 HOH 138 438 315 HOH HOH A . M 5 HOH 139 439 297 HOH HOH A . M 5 HOH 140 440 636 HOH HOH A . M 5 HOH 141 441 414 HOH HOH A . M 5 HOH 142 442 277 HOH HOH A . M 5 HOH 143 443 709 HOH HOH A . M 5 HOH 144 444 675 HOH HOH A . M 5 HOH 145 445 255 HOH HOH A . M 5 HOH 146 446 707 HOH HOH A . M 5 HOH 147 447 457 HOH HOH A . M 5 HOH 148 448 350 HOH HOH A . M 5 HOH 149 449 224 HOH HOH A . M 5 HOH 150 450 248 HOH HOH A . M 5 HOH 151 451 557 HOH HOH A . M 5 HOH 152 452 454 HOH HOH A . M 5 HOH 153 453 246 HOH HOH A . M 5 HOH 154 454 702 HOH HOH A . M 5 HOH 155 455 480 HOH HOH A . M 5 HOH 156 456 656 HOH HOH A . M 5 HOH 157 457 476 HOH HOH A . M 5 HOH 158 458 652 HOH HOH A . M 5 HOH 159 459 359 HOH HOH A . M 5 HOH 160 460 481 HOH HOH A . M 5 HOH 161 461 564 HOH HOH A . M 5 HOH 162 462 530 HOH HOH A . M 5 HOH 163 463 299 HOH HOH A . M 5 HOH 164 464 391 HOH HOH A . M 5 HOH 165 465 453 HOH HOH A . M 5 HOH 166 466 390 HOH HOH A . M 5 HOH 167 467 562 HOH HOH A . M 5 HOH 168 468 612 HOH HOH A . M 5 HOH 169 469 633 HOH HOH A . M 5 HOH 170 470 360 HOH HOH A . M 5 HOH 171 471 209 HOH HOH A . M 5 HOH 172 472 632 HOH HOH A . M 5 HOH 173 473 426 HOH HOH A . N 5 HOH 1 301 287 HOH HOH B . N 5 HOH 2 302 532 HOH HOH B . N 5 HOH 3 303 504 HOH HOH B . N 5 HOH 4 304 324 HOH HOH B . N 5 HOH 5 305 235 HOH HOH B . N 5 HOH 6 306 67 HOH HOH B . N 5 HOH 7 307 681 HOH HOH B . N 5 HOH 8 308 466 HOH HOH B . N 5 HOH 9 309 467 HOH HOH B . N 5 HOH 10 310 59 HOH HOH B . N 5 HOH 11 311 47 HOH HOH B . N 5 HOH 12 312 694 HOH HOH B . N 5 HOH 13 313 412 HOH HOH B . N 5 HOH 14 314 223 HOH HOH B . N 5 HOH 15 315 328 HOH HOH B . N 5 HOH 16 316 30 HOH HOH B . N 5 HOH 17 317 4 HOH HOH B . N 5 HOH 18 318 599 HOH HOH B . N 5 HOH 19 319 134 HOH HOH B . N 5 HOH 20 320 258 HOH HOH B . N 5 HOH 21 321 704 HOH HOH B . N 5 HOH 22 322 22 HOH HOH B . N 5 HOH 23 323 225 HOH HOH B . N 5 HOH 24 324 519 HOH HOH B . N 5 HOH 25 325 19 HOH HOH B . N 5 HOH 26 326 74 HOH HOH B . N 5 HOH 27 327 37 HOH HOH B . N 5 HOH 28 328 14 HOH HOH B . N 5 HOH 29 329 96 HOH HOH B . N 5 HOH 30 330 587 HOH HOH B . N 5 HOH 31 331 126 HOH HOH B . N 5 HOH 32 332 7 HOH HOH B . N 5 HOH 33 333 105 HOH HOH B . N 5 HOH 34 334 66 HOH HOH B . N 5 HOH 35 335 99 HOH HOH B . N 5 HOH 36 336 432 HOH HOH B . N 5 HOH 37 337 340 HOH HOH B . N 5 HOH 38 338 614 HOH HOH B . N 5 HOH 39 339 551 HOH HOH B . N 5 HOH 40 340 229 HOH HOH B . N 5 HOH 41 341 377 HOH HOH B . N 5 HOH 42 342 78 HOH HOH B . N 5 HOH 43 343 649 HOH HOH B . N 5 HOH 44 344 494 HOH HOH B . N 5 HOH 45 345 469 HOH HOH B . N 5 HOH 46 346 222 HOH HOH B . N 5 HOH 47 347 289 HOH HOH B . N 5 HOH 48 348 559 HOH HOH B . N 5 HOH 49 349 167 HOH HOH B . N 5 HOH 50 350 147 HOH HOH B . N 5 HOH 51 351 149 HOH HOH B . N 5 HOH 52 352 79 HOH HOH B . N 5 HOH 53 353 73 HOH HOH B . N 5 HOH 54 354 145 HOH HOH B . N 5 HOH 55 355 447 HOH HOH B . N 5 HOH 56 356 46 HOH HOH B . N 5 HOH 57 357 285 HOH HOH B . N 5 HOH 58 358 107 HOH HOH B . N 5 HOH 59 359 295 HOH HOH B . N 5 HOH 60 360 421 HOH HOH B . N 5 HOH 61 361 606 HOH HOH B . N 5 HOH 62 362 131 HOH HOH B . N 5 HOH 63 363 60 HOH HOH B . N 5 HOH 64 364 242 HOH HOH B . N 5 HOH 65 365 565 HOH HOH B . N 5 HOH 66 366 422 HOH HOH B . N 5 HOH 67 367 690 HOH HOH B . N 5 HOH 68 368 188 HOH HOH B . N 5 HOH 69 369 41 HOH HOH B . N 5 HOH 70 370 353 HOH HOH B . N 5 HOH 71 371 42 HOH HOH B . N 5 HOH 72 372 417 HOH HOH B . N 5 HOH 73 373 156 HOH HOH B . N 5 HOH 74 374 653 HOH HOH B . N 5 HOH 75 375 520 HOH HOH B . N 5 HOH 76 376 529 HOH HOH B . N 5 HOH 77 377 547 HOH HOH B . N 5 HOH 78 378 82 HOH HOH B . N 5 HOH 79 379 159 HOH HOH B . N 5 HOH 80 380 15 HOH HOH B . N 5 HOH 81 381 392 HOH HOH B . N 5 HOH 82 382 555 HOH HOH B . N 5 HOH 83 383 459 HOH HOH B . N 5 HOH 84 384 317 HOH HOH B . N 5 HOH 85 385 482 HOH HOH B . N 5 HOH 86 386 665 HOH HOH B . N 5 HOH 87 387 515 HOH HOH B . N 5 HOH 88 388 500 HOH HOH B . N 5 HOH 89 389 318 HOH HOH B . N 5 HOH 90 390 511 HOH HOH B . N 5 HOH 91 391 461 HOH HOH B . N 5 HOH 92 392 552 HOH HOH B . N 5 HOH 93 393 686 HOH HOH B . N 5 HOH 94 394 548 HOH HOH B . N 5 HOH 95 395 687 HOH HOH B . N 5 HOH 96 396 77 HOH HOH B . N 5 HOH 97 397 316 HOH HOH B . N 5 HOH 98 398 570 HOH HOH B . N 5 HOH 99 399 378 HOH HOH B . N 5 HOH 100 400 661 HOH HOH B . N 5 HOH 101 401 524 HOH HOH B . N 5 HOH 102 402 554 HOH HOH B . N 5 HOH 103 403 682 HOH HOH B . N 5 HOH 104 404 484 HOH HOH B . N 5 HOH 105 405 668 HOH HOH B . N 5 HOH 106 406 439 HOH HOH B . N 5 HOH 107 407 398 HOH HOH B . N 5 HOH 108 408 495 HOH HOH B . N 5 HOH 109 409 456 HOH HOH B . N 5 HOH 110 410 697 HOH HOH B . N 5 HOH 111 411 72 HOH HOH B . N 5 HOH 112 412 177 HOH HOH B . N 5 HOH 113 413 293 HOH HOH B . N 5 HOH 114 414 357 HOH HOH B . N 5 HOH 115 415 268 HOH HOH B . N 5 HOH 116 416 411 HOH HOH B . N 5 HOH 117 417 483 HOH HOH B . N 5 HOH 118 418 698 HOH HOH B . N 5 HOH 119 419 611 HOH HOH B . N 5 HOH 120 420 705 HOH HOH B . N 5 HOH 121 421 443 HOH HOH B . N 5 HOH 122 422 522 HOH HOH B . N 5 HOH 123 423 582 HOH HOH B . N 5 HOH 124 424 691 HOH HOH B . O 5 HOH 1 101 200 HOH HOH E . O 5 HOH 2 102 171 HOH HOH E . O 5 HOH 3 103 335 HOH HOH E . O 5 HOH 4 104 178 HOH HOH E . O 5 HOH 5 105 290 HOH HOH E . O 5 HOH 6 106 151 HOH HOH E . O 5 HOH 7 107 499 HOH HOH E . O 5 HOH 8 108 142 HOH HOH E . O 5 HOH 9 109 110 HOH HOH E . O 5 HOH 10 110 577 HOH HOH E . O 5 HOH 11 111 355 HOH HOH E . O 5 HOH 12 112 194 HOH HOH E . O 5 HOH 13 113 379 HOH HOH E . O 5 HOH 14 114 101 HOH HOH E . O 5 HOH 15 115 388 HOH HOH E . O 5 HOH 16 116 329 HOH HOH E . O 5 HOH 17 117 471 HOH HOH E . O 5 HOH 18 118 201 HOH HOH E . O 5 HOH 19 119 117 HOH HOH E . O 5 HOH 20 120 127 HOH HOH E . O 5 HOH 21 121 26 HOH HOH E . O 5 HOH 22 122 98 HOH HOH E . O 5 HOH 23 123 137 HOH HOH E . O 5 HOH 24 124 409 HOH HOH E . O 5 HOH 25 125 670 HOH HOH E . O 5 HOH 26 126 81 HOH HOH E . O 5 HOH 27 127 451 HOH HOH E . O 5 HOH 28 128 40 HOH HOH E . O 5 HOH 29 129 304 HOH HOH E . O 5 HOH 30 130 249 HOH HOH E . O 5 HOH 31 131 534 HOH HOH E . O 5 HOH 32 132 693 HOH HOH E . O 5 HOH 33 133 624 HOH HOH E . O 5 HOH 34 134 104 HOH HOH E . O 5 HOH 35 135 183 HOH HOH E . O 5 HOH 36 136 191 HOH HOH E . O 5 HOH 37 137 227 HOH HOH E . O 5 HOH 38 138 252 HOH HOH E . O 5 HOH 39 139 65 HOH HOH E . O 5 HOH 40 140 298 HOH HOH E . O 5 HOH 41 141 380 HOH HOH E . O 5 HOH 42 142 639 HOH HOH E . O 5 HOH 43 143 266 HOH HOH E . O 5 HOH 44 144 278 HOH HOH E . O 5 HOH 45 145 514 HOH HOH E . O 5 HOH 46 146 613 HOH HOH E . O 5 HOH 47 147 158 HOH HOH E . O 5 HOH 48 148 648 HOH HOH E . O 5 HOH 49 149 305 HOH HOH E . O 5 HOH 50 150 508 HOH HOH E . O 5 HOH 51 151 402 HOH HOH E . O 5 HOH 52 152 685 HOH HOH E . O 5 HOH 53 153 435 HOH HOH E . O 5 HOH 54 154 179 HOH HOH E . O 5 HOH 55 155 602 HOH HOH E . O 5 HOH 56 156 462 HOH HOH E . O 5 HOH 57 157 477 HOH HOH E . O 5 HOH 58 158 260 HOH HOH E . O 5 HOH 59 159 604 HOH HOH E . P 5 HOH 1 101 132 HOH HOH F . P 5 HOH 2 102 11 HOH HOH F . P 5 HOH 3 103 93 HOH HOH F . P 5 HOH 4 104 232 HOH HOH F . P 5 HOH 5 105 487 HOH HOH F . P 5 HOH 6 106 330 HOH HOH F . P 5 HOH 7 107 275 HOH HOH F . P 5 HOH 8 108 542 HOH HOH F . P 5 HOH 9 109 597 HOH HOH F . P 5 HOH 10 110 251 HOH HOH F . P 5 HOH 11 111 18 HOH HOH F . P 5 HOH 12 112 70 HOH HOH F . P 5 HOH 13 113 56 HOH HOH F . P 5 HOH 14 114 57 HOH HOH F . P 5 HOH 15 115 173 HOH HOH F . P 5 HOH 16 116 281 HOH HOH F . P 5 HOH 17 117 334 HOH HOH F . P 5 HOH 18 118 244 HOH HOH F . P 5 HOH 19 119 71 HOH HOH F . P 5 HOH 20 120 372 HOH HOH F . P 5 HOH 21 121 239 HOH HOH F . P 5 HOH 22 122 543 HOH HOH F . P 5 HOH 23 123 237 HOH HOH F . P 5 HOH 24 124 595 HOH HOH F . P 5 HOH 25 125 129 HOH HOH F . P 5 HOH 26 126 464 HOH HOH F . P 5 HOH 27 127 164 HOH HOH F . P 5 HOH 28 128 331 HOH HOH F . P 5 HOH 29 129 139 HOH HOH F . P 5 HOH 30 130 475 HOH HOH F . P 5 HOH 31 131 393 HOH HOH F . P 5 HOH 32 132 162 HOH HOH F . P 5 HOH 33 133 273 HOH HOH F . P 5 HOH 34 134 641 HOH HOH F . P 5 HOH 35 135 206 HOH HOH F . P 5 HOH 36 136 450 HOH HOH F . P 5 HOH 37 137 53 HOH HOH F . P 5 HOH 38 138 646 HOH HOH F . P 5 HOH 39 139 233 HOH HOH F . P 5 HOH 40 140 321 HOH HOH F . P 5 HOH 41 141 689 HOH HOH F . P 5 HOH 42 142 434 HOH HOH F . P 5 HOH 43 143 563 HOH HOH F . P 5 HOH 44 144 571 HOH HOH F . P 5 HOH 45 145 186 HOH HOH F . P 5 HOH 46 146 498 HOH HOH F . P 5 HOH 47 147 374 HOH HOH F . P 5 HOH 48 148 112 HOH HOH F . P 5 HOH 49 149 536 HOH HOH F . P 5 HOH 50 150 526 HOH HOH F . P 5 HOH 51 151 592 HOH HOH F . P 5 HOH 52 152 512 HOH HOH F . P 5 HOH 53 153 617 HOH HOH F . P 5 HOH 54 154 629 HOH HOH F . P 5 HOH 55 155 630 HOH HOH F . Q 5 HOH 1 201 642 HOH HOH C . Q 5 HOH 2 202 240 HOH HOH C . Q 5 HOH 3 203 505 HOH HOH C . Q 5 HOH 4 204 216 HOH HOH C . Q 5 HOH 5 205 546 HOH HOH C . Q 5 HOH 6 206 531 HOH HOH C . Q 5 HOH 7 207 1 HOH HOH C . Q 5 HOH 8 208 593 HOH HOH C . Q 5 HOH 9 209 596 HOH HOH C . Q 5 HOH 10 210 257 HOH HOH C . Q 5 HOH 11 211 102 HOH HOH C . Q 5 HOH 12 212 38 HOH HOH C . Q 5 HOH 13 213 21 HOH HOH C . Q 5 HOH 14 214 404 HOH HOH C . Q 5 HOH 15 215 243 HOH HOH C . Q 5 HOH 16 216 155 HOH HOH C . Q 5 HOH 17 217 143 HOH HOH C . Q 5 HOH 18 218 128 HOH HOH C . Q 5 HOH 19 219 584 HOH HOH C . Q 5 HOH 20 220 247 HOH HOH C . Q 5 HOH 21 221 231 HOH HOH C . Q 5 HOH 22 222 75 HOH HOH C . Q 5 HOH 23 223 204 HOH HOH C . Q 5 HOH 24 224 323 HOH HOH C . Q 5 HOH 25 225 91 HOH HOH C . Q 5 HOH 26 226 50 HOH HOH C . Q 5 HOH 27 227 491 HOH HOH C . Q 5 HOH 28 228 86 HOH HOH C . Q 5 HOH 29 229 356 HOH HOH C . Q 5 HOH 30 230 430 HOH HOH C . Q 5 HOH 31 231 405 HOH HOH C . Q 5 HOH 32 232 5 HOH HOH C . Q 5 HOH 33 233 269 HOH HOH C . Q 5 HOH 34 234 120 HOH HOH C . Q 5 HOH 35 235 116 HOH HOH C . Q 5 HOH 36 236 85 HOH HOH C . Q 5 HOH 37 237 32 HOH HOH C . Q 5 HOH 38 238 34 HOH HOH C . Q 5 HOH 39 239 659 HOH HOH C . Q 5 HOH 40 240 136 HOH HOH C . Q 5 HOH 41 241 342 HOH HOH C . Q 5 HOH 42 242 279 HOH HOH C . Q 5 HOH 43 243 51 HOH HOH C . Q 5 HOH 44 244 160 HOH HOH C . Q 5 HOH 45 245 108 HOH HOH C . Q 5 HOH 46 246 20 HOH HOH C . Q 5 HOH 47 247 403 HOH HOH C . Q 5 HOH 48 248 549 HOH HOH C . Q 5 HOH 49 249 208 HOH HOH C . Q 5 HOH 50 250 141 HOH HOH C . Q 5 HOH 51 251 300 HOH HOH C . Q 5 HOH 52 252 84 HOH HOH C . Q 5 HOH 53 253 527 HOH HOH C . Q 5 HOH 54 254 214 HOH HOH C . Q 5 HOH 55 255 280 HOH HOH C . Q 5 HOH 56 256 385 HOH HOH C . Q 5 HOH 57 257 163 HOH HOH C . Q 5 HOH 58 258 170 HOH HOH C . Q 5 HOH 59 259 184 HOH HOH C . Q 5 HOH 60 260 510 HOH HOH C . Q 5 HOH 61 261 573 HOH HOH C . Q 5 HOH 62 262 650 HOH HOH C . Q 5 HOH 63 263 192 HOH HOH C . Q 5 HOH 64 264 23 HOH HOH C . Q 5 HOH 65 265 199 HOH HOH C . Q 5 HOH 66 266 326 HOH HOH C . Q 5 HOH 67 267 241 HOH HOH C . Q 5 HOH 68 268 236 HOH HOH C . Q 5 HOH 69 269 115 HOH HOH C . Q 5 HOH 70 270 44 HOH HOH C . Q 5 HOH 71 271 234 HOH HOH C . Q 5 HOH 72 272 580 HOH HOH C . Q 5 HOH 73 273 394 HOH HOH C . Q 5 HOH 74 274 442 HOH HOH C . Q 5 HOH 75 275 125 HOH HOH C . Q 5 HOH 76 276 35 HOH HOH C . Q 5 HOH 77 277 444 HOH HOH C . Q 5 HOH 78 278 672 HOH HOH C . Q 5 HOH 79 279 238 HOH HOH C . Q 5 HOH 80 280 460 HOH HOH C . Q 5 HOH 81 281 516 HOH HOH C . Q 5 HOH 82 282 489 HOH HOH C . Q 5 HOH 83 283 292 HOH HOH C . Q 5 HOH 84 284 152 HOH HOH C . Q 5 HOH 85 285 399 HOH HOH C . Q 5 HOH 86 286 327 HOH HOH C . Q 5 HOH 87 287 401 HOH HOH C . Q 5 HOH 88 288 455 HOH HOH C . Q 5 HOH 89 289 676 HOH HOH C . Q 5 HOH 90 290 478 HOH HOH C . Q 5 HOH 91 291 347 HOH HOH C . Q 5 HOH 92 292 452 HOH HOH C . Q 5 HOH 93 293 581 HOH HOH C . Q 5 HOH 94 294 436 HOH HOH C . Q 5 HOH 95 295 703 HOH HOH C . Q 5 HOH 96 296 307 HOH HOH C . Q 5 HOH 97 297 438 HOH HOH C . Q 5 HOH 98 298 339 HOH HOH C . Q 5 HOH 99 299 286 HOH HOH C . Q 5 HOH 100 300 303 HOH HOH C . Q 5 HOH 101 301 528 HOH HOH C . Q 5 HOH 102 302 558 HOH HOH C . Q 5 HOH 103 303 121 HOH HOH C . Q 5 HOH 104 304 651 HOH HOH C . Q 5 HOH 105 305 664 HOH HOH C . Q 5 HOH 106 306 660 HOH HOH C . Q 5 HOH 107 307 161 HOH HOH C . Q 5 HOH 108 308 314 HOH HOH C . Q 5 HOH 109 309 468 HOH HOH C . Q 5 HOH 110 310 122 HOH HOH C . Q 5 HOH 111 311 245 HOH HOH C . Q 5 HOH 112 312 567 HOH HOH C . Q 5 HOH 113 313 663 HOH HOH C . Q 5 HOH 114 314 338 HOH HOH C . Q 5 HOH 115 315 695 HOH HOH C . Q 5 HOH 116 316 493 HOH HOH C . Q 5 HOH 117 317 553 HOH HOH C . Q 5 HOH 118 318 366 HOH HOH C . Q 5 HOH 119 319 320 HOH HOH C . Q 5 HOH 120 320 165 HOH HOH C . Q 5 HOH 121 321 600 HOH HOH C . Q 5 HOH 122 322 635 HOH HOH C . R 5 HOH 1 301 368 HOH HOH D . R 5 HOH 2 302 349 HOH HOH D . R 5 HOH 3 303 429 HOH HOH D . R 5 HOH 4 304 150 HOH HOH D . R 5 HOH 5 305 123 HOH HOH D . R 5 HOH 6 306 169 HOH HOH D . R 5 HOH 7 307 387 HOH HOH D . R 5 HOH 8 308 539 HOH HOH D . R 5 HOH 9 309 376 HOH HOH D . R 5 HOH 10 310 517 HOH HOH D . R 5 HOH 11 311 319 HOH HOH D . R 5 HOH 12 312 207 HOH HOH D . R 5 HOH 13 313 710 HOH HOH D . R 5 HOH 14 314 344 HOH HOH D . R 5 HOH 15 315 400 HOH HOH D . R 5 HOH 16 316 348 HOH HOH D . R 5 HOH 17 317 346 HOH HOH D . R 5 HOH 18 318 226 HOH HOH D . R 5 HOH 19 319 130 HOH HOH D . R 5 HOH 20 320 341 HOH HOH D . R 5 HOH 21 321 36 HOH HOH D . R 5 HOH 22 322 8 HOH HOH D . R 5 HOH 23 323 413 HOH HOH D . R 5 HOH 24 324 61 HOH HOH D . R 5 HOH 25 325 12 HOH HOH D . R 5 HOH 26 326 9 HOH HOH D . R 5 HOH 27 327 408 HOH HOH D . R 5 HOH 28 328 97 HOH HOH D . R 5 HOH 29 329 463 HOH HOH D . R 5 HOH 30 330 33 HOH HOH D . R 5 HOH 31 331 174 HOH HOH D . R 5 HOH 32 332 538 HOH HOH D . R 5 HOH 33 333 172 HOH HOH D . R 5 HOH 34 334 109 HOH HOH D . R 5 HOH 35 335 556 HOH HOH D . R 5 HOH 36 336 168 HOH HOH D . R 5 HOH 37 337 625 HOH HOH D . R 5 HOH 38 338 622 HOH HOH D . R 5 HOH 39 339 54 HOH HOH D . R 5 HOH 40 340 382 HOH HOH D . R 5 HOH 41 341 375 HOH HOH D . R 5 HOH 42 342 274 HOH HOH D . R 5 HOH 43 343 406 HOH HOH D . R 5 HOH 44 344 415 HOH HOH D . R 5 HOH 45 345 69 HOH HOH D . R 5 HOH 46 346 31 HOH HOH D . R 5 HOH 47 347 118 HOH HOH D . R 5 HOH 48 348 479 HOH HOH D . R 5 HOH 49 349 212 HOH HOH D . R 5 HOH 50 350 250 HOH HOH D . R 5 HOH 51 351 64 HOH HOH D . R 5 HOH 52 352 425 HOH HOH D . R 5 HOH 53 353 182 HOH HOH D . R 5 HOH 54 354 537 HOH HOH D . R 5 HOH 55 355 219 HOH HOH D . R 5 HOH 56 356 383 HOH HOH D . R 5 HOH 57 357 309 HOH HOH D . R 5 HOH 58 358 616 HOH HOH D . R 5 HOH 59 359 416 HOH HOH D . R 5 HOH 60 360 80 HOH HOH D . R 5 HOH 61 361 301 HOH HOH D . R 5 HOH 62 362 62 HOH HOH D . R 5 HOH 63 363 153 HOH HOH D . R 5 HOH 64 364 282 HOH HOH D . R 5 HOH 65 365 140 HOH HOH D . R 5 HOH 66 366 486 HOH HOH D . R 5 HOH 67 367 706 HOH HOH D . R 5 HOH 68 368 509 HOH HOH D . R 5 HOH 69 369 591 HOH HOH D . R 5 HOH 70 370 185 HOH HOH D . R 5 HOH 71 371 205 HOH HOH D . R 5 HOH 72 372 283 HOH HOH D . R 5 HOH 73 373 389 HOH HOH D . R 5 HOH 74 374 367 HOH HOH D . R 5 HOH 75 375 407 HOH HOH D . R 5 HOH 76 376 381 HOH HOH D . R 5 HOH 77 377 657 HOH HOH D . R 5 HOH 78 378 220 HOH HOH D . R 5 HOH 79 379 583 HOH HOH D . R 5 HOH 80 380 465 HOH HOH D . R 5 HOH 81 381 473 HOH HOH D . R 5 HOH 82 382 605 HOH HOH D . R 5 HOH 83 383 332 HOH HOH D . R 5 HOH 84 384 708 HOH HOH D . R 5 HOH 85 385 440 HOH HOH D . R 5 HOH 86 386 365 HOH HOH D . R 5 HOH 87 387 521 HOH HOH D . R 5 HOH 88 388 325 HOH HOH D . R 5 HOH 89 389 291 HOH HOH D . R 5 HOH 90 390 197 HOH HOH D . R 5 HOH 91 391 343 HOH HOH D . R 5 HOH 92 392 448 HOH HOH D . R 5 HOH 93 393 684 HOH HOH D . R 5 HOH 94 394 586 HOH HOH D . R 5 HOH 95 395 384 HOH HOH D . R 5 HOH 96 396 569 HOH HOH D . R 5 HOH 97 397 578 HOH HOH D . R 5 HOH 98 398 533 HOH HOH D . R 5 HOH 99 399 449 HOH HOH D . R 5 HOH 100 400 603 HOH HOH D . R 5 HOH 101 401 322 HOH HOH D . R 5 HOH 102 402 210 HOH HOH D . R 5 HOH 103 403 513 HOH HOH D . R 5 HOH 104 404 671 HOH HOH D . R 5 HOH 105 405 485 HOH HOH D . S 5 HOH 1 101 308 HOH HOH G . S 5 HOH 2 102 540 HOH HOH G . S 5 HOH 3 103 83 HOH HOH G . S 5 HOH 4 104 215 HOH HOH G . S 5 HOH 5 105 154 HOH HOH G . S 5 HOH 6 106 111 HOH HOH G . S 5 HOH 7 107 276 HOH HOH G . S 5 HOH 8 108 271 HOH HOH G . S 5 HOH 9 109 397 HOH HOH G . S 5 HOH 10 110 621 HOH HOH G . S 5 HOH 11 111 433 HOH HOH G . S 5 HOH 12 112 418 HOH HOH G . S 5 HOH 13 113 496 HOH HOH G . S 5 HOH 14 114 213 HOH HOH G . S 5 HOH 15 115 472 HOH HOH G . S 5 HOH 16 116 92 HOH HOH G . S 5 HOH 17 117 474 HOH HOH G . S 5 HOH 18 118 423 HOH HOH G . S 5 HOH 19 119 674 HOH HOH G . S 5 HOH 20 120 490 HOH HOH G . S 5 HOH 21 121 395 HOH HOH G . S 5 HOH 22 122 441 HOH HOH G . S 5 HOH 23 123 701 HOH HOH G . S 5 HOH 24 124 458 HOH HOH G . S 5 HOH 25 125 590 HOH HOH G . S 5 HOH 26 126 667 HOH HOH G . S 5 HOH 27 127 544 HOH HOH G . S 5 HOH 28 128 501 HOH HOH G . S 5 HOH 29 129 579 HOH HOH G . S 5 HOH 30 130 361 HOH HOH G . S 5 HOH 31 131 561 HOH HOH G . S 5 HOH 32 132 373 HOH HOH G . S 5 HOH 33 133 265 HOH HOH G . S 5 HOH 34 134 545 HOH HOH G . S 5 HOH 35 135 566 HOH HOH G . S 5 HOH 36 136 87 HOH HOH G . S 5 HOH 37 137 679 HOH HOH G . S 5 HOH 38 138 518 HOH HOH G . S 5 HOH 39 139 420 HOH HOH G . S 5 HOH 40 140 345 HOH HOH G . S 5 HOH 41 141 637 HOH HOH G . S 5 HOH 42 142 294 HOH HOH G . T 5 HOH 1 101 525 HOH HOH H . T 5 HOH 2 102 114 HOH HOH H . T 5 HOH 3 103 631 HOH HOH H . T 5 HOH 4 104 253 HOH HOH H . T 5 HOH 5 105 270 HOH HOH H . T 5 HOH 6 106 560 HOH HOH H . T 5 HOH 7 107 175 HOH HOH H . T 5 HOH 8 108 431 HOH HOH H . T 5 HOH 9 109 601 HOH HOH H . T 5 HOH 10 110 302 HOH HOH H . T 5 HOH 11 111 585 HOH HOH H . T 5 HOH 12 112 654 HOH HOH H . T 5 HOH 13 113 262 HOH HOH H . T 5 HOH 14 114 677 HOH HOH H . T 5 HOH 15 115 523 HOH HOH H . T 5 HOH 16 116 699 HOH HOH H . T 5 HOH 17 117 669 HOH HOH H . T 5 HOH 18 118 575 HOH HOH H . T 5 HOH 19 119 218 HOH HOH H . T 5 HOH 20 120 333 HOH HOH H . T 5 HOH 21 121 310 HOH HOH H . T 5 HOH 22 122 133 HOH HOH H . T 5 HOH 23 123 683 HOH HOH H . T 5 HOH 24 124 589 HOH HOH H . T 5 HOH 25 125 627 HOH HOH H . T 5 HOH 26 126 157 HOH HOH H . T 5 HOH 27 127 296 HOH HOH H . T 5 HOH 28 128 363 HOH HOH H . # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? tetrameric 4 2 author_defined_assembly ? tetrameric 4 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,C,D,I,J,K,M,N,O,P 2 1 E,F,G,H,L,Q,R,S,T # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 O ? A LEU 17 ? A LEU 25 ? 1_555 NA ? J NA . ? A NA 202 ? 1_555 O ? A VAL 18 ? A VAL 26 ? 1_555 74.9 ? 2 O ? A LEU 17 ? A LEU 25 ? 1_555 NA ? J NA . ? A NA 202 ? 1_555 O ? A ASP 20 ? A ASP 28 ? 1_555 91.3 ? 3 O ? A VAL 18 ? A VAL 26 ? 1_555 NA ? J NA . ? A NA 202 ? 1_555 O ? A ASP 20 ? A ASP 28 ? 1_555 105.5 ? 4 O ? A LEU 17 ? A LEU 25 ? 1_555 NA ? J NA . ? A NA 202 ? 1_555 OG1 ? A THR 23 ? A THR 31 ? 1_555 61.4 ? 5 O ? A VAL 18 ? A VAL 26 ? 1_555 NA ? J NA . ? A NA 202 ? 1_555 OG1 ? A THR 23 ? A THR 31 ? 1_555 136.3 ? 6 O ? A ASP 20 ? A ASP 28 ? 1_555 NA ? J NA . ? A NA 202 ? 1_555 OG1 ? A THR 23 ? A THR 31 ? 1_555 75.6 ? 7 O ? A LEU 17 ? A LEU 25 ? 1_555 NA ? J NA . ? A NA 202 ? 1_555 OD1 ? A ASP 24 ? A ASP 32 ? 1_555 162.2 ? 8 O ? A VAL 18 ? A VAL 26 ? 1_555 NA ? J NA . ? A NA 202 ? 1_555 OD1 ? A ASP 24 ? A ASP 32 ? 1_555 89.9 ? 9 O ? A ASP 20 ? A ASP 28 ? 1_555 NA ? J NA . ? A NA 202 ? 1_555 OD1 ? A ASP 24 ? A ASP 32 ? 1_555 83.8 ? 10 OG1 ? A THR 23 ? A THR 31 ? 1_555 NA ? J NA . ? A NA 202 ? 1_555 OD1 ? A ASP 24 ? A ASP 32 ? 1_555 132.8 ? 11 O ? A LEU 17 ? A LEU 25 ? 1_555 NA ? J NA . ? A NA 202 ? 1_555 O ? A ILE 27 ? A ILE 35 ? 1_555 105.2 ? 12 O ? A VAL 18 ? A VAL 26 ? 1_555 NA ? J NA . ? A NA 202 ? 1_555 O ? A ILE 27 ? A ILE 35 ? 1_555 97.3 ? 13 O ? A ASP 20 ? A ASP 28 ? 1_555 NA ? J NA . ? A NA 202 ? 1_555 O ? A ILE 27 ? A ILE 35 ? 1_555 154.8 ? 14 OG1 ? A THR 23 ? A THR 31 ? 1_555 NA ? J NA . ? A NA 202 ? 1_555 O ? A ILE 27 ? A ILE 35 ? 1_555 95.4 ? 15 OD1 ? A ASP 24 ? A ASP 32 ? 1_555 NA ? J NA . ? A NA 202 ? 1_555 O ? A ILE 27 ? A ILE 35 ? 1_555 85.6 ? 16 O ? B LEU 17 ? B LEU 25 ? 1_555 NA ? K NA . ? B NA 201 ? 1_555 O ? B VAL 18 ? B VAL 26 ? 1_555 72.0 ? 17 O ? B LEU 17 ? B LEU 25 ? 1_555 NA ? K NA . ? B NA 201 ? 1_555 O ? B ASP 20 ? B ASP 28 ? 1_555 91.4 ? 18 O ? B VAL 18 ? B VAL 26 ? 1_555 NA ? K NA . ? B NA 201 ? 1_555 O ? B ASP 20 ? B ASP 28 ? 1_555 104.8 ? 19 O ? B LEU 17 ? B LEU 25 ? 1_555 NA ? K NA . ? B NA 201 ? 1_555 OG1 ? B THR 23 ? B THR 31 ? 1_555 56.7 ? 20 O ? B VAL 18 ? B VAL 26 ? 1_555 NA ? K NA . ? B NA 201 ? 1_555 OG1 ? B THR 23 ? B THR 31 ? 1_555 128.7 ? 21 O ? B ASP 20 ? B ASP 28 ? 1_555 NA ? K NA . ? B NA 201 ? 1_555 OG1 ? B THR 23 ? B THR 31 ? 1_555 75.8 ? 22 O ? B LEU 17 ? B LEU 25 ? 1_555 NA ? K NA . ? B NA 201 ? 1_555 OD1 ? B ASP 24 ? B ASP 32 ? 1_555 167.9 ? 23 O ? B VAL 18 ? B VAL 26 ? 1_555 NA ? K NA . ? B NA 201 ? 1_555 OD1 ? B ASP 24 ? B ASP 32 ? 1_555 97.7 ? 24 O ? B ASP 20 ? B ASP 28 ? 1_555 NA ? K NA . ? B NA 201 ? 1_555 OD1 ? B ASP 24 ? B ASP 32 ? 1_555 85.0 ? 25 OG1 ? B THR 23 ? B THR 31 ? 1_555 NA ? K NA . ? B NA 201 ? 1_555 OD1 ? B ASP 24 ? B ASP 32 ? 1_555 132.8 ? 26 O ? B LEU 17 ? B LEU 25 ? 1_555 NA ? K NA . ? B NA 201 ? 1_555 O ? B ILE 27 ? B ILE 35 ? 1_555 98.5 ? 27 O ? B VAL 18 ? B VAL 26 ? 1_555 NA ? K NA . ? B NA 201 ? 1_555 O ? B ILE 27 ? B ILE 35 ? 1_555 99.4 ? 28 O ? B ASP 20 ? B ASP 28 ? 1_555 NA ? K NA . ? B NA 201 ? 1_555 O ? B ILE 27 ? B ILE 35 ? 1_555 155.7 ? 29 OG1 ? B THR 23 ? B THR 31 ? 1_555 NA ? K NA . ? B NA 201 ? 1_555 O ? B ILE 27 ? B ILE 35 ? 1_555 91.1 ? 30 OD1 ? B ASP 24 ? B ASP 32 ? 1_555 NA ? K NA . ? B NA 201 ? 1_555 O ? B ILE 27 ? B ILE 35 ? 1_555 89.3 ? 31 O ? F LEU 17 ? D LEU 25 ? 1_555 NA ? L NA . ? D NA 201 ? 1_555 O ? F VAL 18 ? D VAL 26 ? 1_555 77.6 ? 32 O ? F LEU 17 ? D LEU 25 ? 1_555 NA ? L NA . ? D NA 201 ? 1_555 O ? F ASP 20 ? D ASP 28 ? 1_555 94.7 ? 33 O ? F VAL 18 ? D VAL 26 ? 1_555 NA ? L NA . ? D NA 201 ? 1_555 O ? F ASP 20 ? D ASP 28 ? 1_555 112.3 ? 34 O ? F LEU 17 ? D LEU 25 ? 1_555 NA ? L NA . ? D NA 201 ? 1_555 OG1 ? F THR 23 ? D THR 31 ? 1_555 59.8 ? 35 O ? F VAL 18 ? D VAL 26 ? 1_555 NA ? L NA . ? D NA 201 ? 1_555 OG1 ? F THR 23 ? D THR 31 ? 1_555 136.7 ? 36 O ? F ASP 20 ? D ASP 28 ? 1_555 NA ? L NA . ? D NA 201 ? 1_555 OG1 ? F THR 23 ? D THR 31 ? 1_555 66.9 ? 37 O ? F LEU 17 ? D LEU 25 ? 1_555 NA ? L NA . ? D NA 201 ? 1_555 OD1 ? F ASP 24 ? D ASP 32 ? 1_555 163.5 ? 38 O ? F VAL 18 ? D VAL 26 ? 1_555 NA ? L NA . ? D NA 201 ? 1_555 OD1 ? F ASP 24 ? D ASP 32 ? 1_555 86.3 ? 39 O ? F ASP 20 ? D ASP 28 ? 1_555 NA ? L NA . ? D NA 201 ? 1_555 OD1 ? F ASP 24 ? D ASP 32 ? 1_555 88.0 ? 40 OG1 ? F THR 23 ? D THR 31 ? 1_555 NA ? L NA . ? D NA 201 ? 1_555 OD1 ? F ASP 24 ? D ASP 32 ? 1_555 135.3 ? 41 O ? F LEU 17 ? D LEU 25 ? 1_555 NA ? L NA . ? D NA 201 ? 1_555 O ? F ILE 27 ? D ILE 35 ? 1_555 97.2 ? 42 O ? F VAL 18 ? D VAL 26 ? 1_555 NA ? L NA . ? D NA 201 ? 1_555 O ? F ILE 27 ? D ILE 35 ? 1_555 94.8 ? 43 O ? F ASP 20 ? D ASP 28 ? 1_555 NA ? L NA . ? D NA 201 ? 1_555 O ? F ILE 27 ? D ILE 35 ? 1_555 152.2 ? 44 OG1 ? F THR 23 ? D THR 31 ? 1_555 NA ? L NA . ? D NA 201 ? 1_555 O ? F ILE 27 ? D ILE 35 ? 1_555 97.9 ? 45 OD1 ? F ASP 24 ? D ASP 32 ? 1_555 NA ? L NA . ? D NA 201 ? 1_555 O ? F ILE 27 ? D ILE 35 ? 1_555 87.7 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2017-01-11 2 'Structure model' 1 1 2017-09-27 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Data collection' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 2 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category diffrn_detector # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 2 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_diffrn_detector.detector' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 12.5283 7.6057 9.8898 0.1500 0.1658 0.1230 0.0016 -0.0035 0.0035 2.0530 1.0973 2.0432 -0.0781 -0.1689 -0.0583 0.0719 0.1849 -0.1113 -0.1889 -0.0125 -0.0851 -0.0152 0.1153 0.0078 'X-RAY DIFFRACTION' 2 ? refined 23.2403 12.8500 13.1433 0.2575 0.2723 0.2645 -0.0642 0.0468 -0.0432 0.4427 1.3247 0.4238 -0.5539 0.0907 0.2303 -0.0963 0.2167 0.2447 -0.4197 0.0902 -1.0686 -0.2761 0.3592 -0.0060 'X-RAY DIFFRACTION' 3 ? refined 15.1803 15.5262 20.7910 0.2955 0.1945 0.1510 -0.0323 -0.0170 -0.0033 0.8363 0.2616 0.6604 -0.1723 0.3966 0.1981 0.2294 -0.1227 0.3633 0.1760 -0.1794 0.0018 -0.4988 0.1086 0.1506 'X-RAY DIFFRACTION' 4 ? refined 7.3716 5.9523 21.6719 0.1892 0.1855 0.1886 0.0112 -0.0197 0.0203 0.2962 1.0054 0.4691 -0.2405 -0.1077 -0.5108 -0.0278 -0.1234 -0.4570 0.4440 -0.0889 0.4714 -0.1351 0.1974 -0.0022 'X-RAY DIFFRACTION' 5 ? refined 21.3184 -6.1072 20.1127 0.2706 0.3618 0.4716 0.0629 0.0223 0.0918 0.2413 0.4225 0.1545 0.2366 0.1463 0.2810 0.0811 -0.4704 -0.4956 -0.0260 -0.3614 -0.6027 0.1986 0.5012 -0.0117 'X-RAY DIFFRACTION' 6 ? refined 7.1891 3.5856 13.8397 0.1425 0.1577 0.1489 0.0168 -0.0146 0.0113 0.5403 0.4279 0.6071 0.4223 -0.0620 -0.2972 0.0836 0.0009 -0.4405 -0.0566 -0.0162 0.0004 0.1686 -0.0076 0.0066 'X-RAY DIFFRACTION' 7 ? refined -0.1427 12.7082 14.7529 0.2018 0.2108 0.1913 0.0287 -0.0211 -0.0060 0.8057 0.3654 1.2107 -0.0289 -0.3837 0.1944 0.1471 -0.1307 0.4210 0.0160 0.2648 0.0911 -0.5988 -0.3465 0.1239 'X-RAY DIFFRACTION' 8 ? refined -4.6210 -11.7376 24.1509 0.1528 0.1937 0.2506 -0.0241 0.0486 0.0061 1.7657 1.7692 2.4286 -0.4444 1.8241 -0.8750 0.0829 -0.1005 -0.1127 0.0513 -0.0209 0.3925 0.0190 -0.4382 0.0012 'X-RAY DIFFRACTION' 9 ? refined -2.8652 -17.5916 35.6839 0.2709 0.4024 0.3923 -0.0223 0.0632 0.0516 0.2257 0.2856 0.0654 -0.0800 0.0146 -0.0071 -0.1635 -0.5978 -0.1945 0.2147 0.0198 0.8764 -0.2145 -0.5523 0.0002 'X-RAY DIFFRACTION' 10 ? refined 5.2821 -20.2203 28.3528 0.2217 0.1622 0.2758 -0.0050 -0.0033 0.0031 0.2049 0.3621 0.3647 -0.2548 0.1667 -0.0984 0.0485 -0.0436 -0.1913 -0.0731 0.0181 -0.1811 0.3811 0.1679 0.0013 'X-RAY DIFFRACTION' 11 ? refined 7.4550 -10.5449 20.8935 0.1911 0.2306 0.2629 0.0132 0.0331 0.0086 0.1895 0.1486 0.2441 -0.0921 0.1354 -0.0901 -0.0267 0.0735 -0.1336 -0.5249 -0.0637 -0.5789 -0.2518 0.2022 0.0005 'X-RAY DIFFRACTION' 12 ? refined 5.8556 -1.1693 29.5813 0.2802 0.2446 0.2218 0.0035 -0.0065 -0.0073 0.7504 0.7071 0.4934 -0.3272 0.3732 -0.2863 -0.1356 -0.4342 0.2819 0.5097 -0.0682 0.1595 -0.1349 0.1040 -0.0041 'X-RAY DIFFRACTION' 13 ? refined -0.5517 -13.1519 13.7569 0.2546 0.2129 0.3008 0.0249 -0.0003 -0.0582 0.8255 0.9429 1.0601 0.7345 0.3013 -0.3448 -0.1376 0.3233 -0.3438 -0.4135 0.2440 0.1647 0.2379 0.1122 0.0165 'X-RAY DIFFRACTION' 14 ? refined 10.6865 -16.3575 42.9851 0.1985 0.2236 0.2786 0.0026 0.0046 0.0317 1.3197 1.5658 1.2858 1.2183 0.4445 -0.3609 0.0802 0.2109 -0.1369 0.0708 -0.0037 0.1853 0.0665 -0.4376 0.0016 'X-RAY DIFFRACTION' 15 ? refined 10.4629 -12.4068 52.7963 0.3344 0.2333 0.2861 0.0256 0.1078 0.0185 1.6957 0.8438 1.0599 -0.6843 0.1882 0.7228 -0.2072 -0.1921 -0.2134 0.3656 0.1235 0.4217 0.1442 -0.2581 -0.0011 'X-RAY DIFFRACTION' 16 ? refined 19.2828 -20.8224 51.3167 0.3345 0.2907 0.3238 0.0750 0.0158 0.0558 0.3937 0.5759 0.4723 -0.1226 -0.0345 0.0050 0.0308 -0.4702 -0.4727 0.6156 -0.0050 -0.0086 0.4129 0.2222 0.0042 'X-RAY DIFFRACTION' 17 ? refined 19.7352 -2.7950 54.3915 0.3226 0.3097 0.2032 0.0486 0.0160 -0.0297 0.7383 1.2268 0.1660 0.8105 0.1794 0.5238 -0.1140 -0.3683 -0.1133 0.3977 0.0687 0.2345 0.0892 0.1633 0.0008 'X-RAY DIFFRACTION' 18 ? refined 17.7533 -13.8222 36.5182 0.2291 0.2820 0.2778 -0.0070 0.0232 -0.0291 0.8514 1.0682 1.2681 0.8965 -0.1956 0.2915 -0.0245 0.1793 -0.1434 -0.4008 0.1197 -0.1511 -0.1274 0.1741 0.0223 'X-RAY DIFFRACTION' 19 ? refined 28.7598 8.4585 36.9728 0.4425 0.3719 0.3453 -0.0942 0.1202 -0.0845 1.1884 1.6748 1.7987 0.7579 0.3715 -0.3879 -0.1891 0.2893 -0.1317 -0.6360 0.3270 -0.7615 -0.2601 0.4695 0.0173 'X-RAY DIFFRACTION' 20 ? refined 34.4146 13.8330 46.3326 0.3012 0.4829 0.6827 -0.1354 0.0234 -0.2358 2.0335 0.7867 0.7605 0.0169 -0.0329 -0.3855 -0.2419 -0.3884 0.8563 0.1303 0.6175 -1.2328 -0.5154 0.7202 0.4887 'X-RAY DIFFRACTION' 21 ? refined 21.0956 6.3973 42.9256 0.2732 0.2502 0.1784 -0.0032 -0.0310 -0.0277 1.5172 2.3029 2.1724 1.5951 0.4977 0.7033 -0.0928 0.1553 0.0033 -0.4269 0.1342 0.0784 -0.2501 0.0328 0.0004 'X-RAY DIFFRACTION' 22 ? refined 2.4854 28.3280 23.3083 0.2274 0.2445 0.3107 -0.0011 -0.0132 -0.0275 0.8508 -0.0622 -0.0419 0.0871 0.1351 0.0511 -0.0998 0.0764 0.0329 0.0130 0.0133 0.1057 0.0305 -0.0240 0.0001 'X-RAY DIFFRACTION' 23 ? refined 2.1792 29.9228 23.4886 0.1820 0.1954 0.2815 0.0118 0.0448 0.0077 0.3108 0.3274 -0.2999 -0.3222 -0.4139 0.3774 -0.4519 -0.3189 -0.3640 0.0470 0.1970 0.0072 0.0522 0.0687 -0.0717 'X-RAY DIFFRACTION' 24 ? refined 0.639 -34.700 55.711 0.3977 0.4202 0.4020 -0.0147 -0.0143 0.0008 1.1058 0.9843 0.0725 -0.3966 -0.3477 -0.0863 -0.5187 -0.3501 -0.3315 -0.0392 0.1187 0.0774 -0.0801 -0.0093 0.0000 'X-RAY DIFFRACTION' 25 ? refined -0.119 -36.096 56.251 0.4868 0.4657 0.5278 -0.0336 -0.1213 0.0138 1.3563 0.9423 0.3890 0.5710 -0.4648 0.4477 -0.2946 -0.2099 0.0228 0.1523 0.0182 -0.0491 -0.0308 -0.0715 -0.0061 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 14 through 48 ) ; 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 49 through 60 ) ; 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 61 through 75 ) ; 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 76 through 81 ) ; 'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 82 through 95 ) ; 'X-RAY DIFFRACTION' 6 6 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 96 through 108 ) ; 'X-RAY DIFFRACTION' 7 7 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 109 through 118 ) ; 'X-RAY DIFFRACTION' 8 8 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 13 through 48 ) ; 'X-RAY DIFFRACTION' 9 9 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 49 through 60 ) ; 'X-RAY DIFFRACTION' 10 10 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 61 through 75 ) ; 'X-RAY DIFFRACTION' 11 11 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 76 through 81 ) ; 'X-RAY DIFFRACTION' 12 12 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 82 through 100 ) ; 'X-RAY DIFFRACTION' 13 13 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 101 through 118 ) ; 'X-RAY DIFFRACTION' 14 14 ? ? ? ? ? ? ? ? ? ;chain 'C' and (resid 12 through 37 ) ; 'X-RAY DIFFRACTION' 15 15 ? ? ? ? ? ? ? ? ? ;chain 'C' and (resid 38 through 60 ) ; 'X-RAY DIFFRACTION' 16 16 ? ? ? ? ? ? ? ? ? ;chain 'C' and (resid 61 through 76 ) ; 'X-RAY DIFFRACTION' 17 17 ? ? ? ? ? ? ? ? ? ;chain 'C' and (resid 77 through 100 ) ; 'X-RAY DIFFRACTION' 18 18 ? ? ? ? ? ? ? ? ? ;chain 'C' and (resid 101 through 118 ) ; 'X-RAY DIFFRACTION' 19 19 ? ? ? ? ? ? ? ? ? ;chain 'D' and (resid 14 through 48 ) ; 'X-RAY DIFFRACTION' 20 20 ? ? ? ? ? ? ? ? ? ;chain 'D' and (resid 49 through 75 ) ; 'X-RAY DIFFRACTION' 21 21 ? ? ? ? ? ? ? ? ? ;chain 'D' and (resid 76 through 118 ) ; 'X-RAY DIFFRACTION' 22 22 ? ? ? ? ? ? ? ? ? ;chain 'E' and (resid 1 through 12 ) ; 'X-RAY DIFFRACTION' 23 23 ? ? ? ? ? ? ? ? ? ;chain 'F' and (resid 1 through 12 ) ; 'X-RAY DIFFRACTION' 24 24 ? ? ? ? ? ? ? ? ? ;chain 'G' and (resid 1 through 12 ) ; 'X-RAY DIFFRACTION' 25 25 ? ? ? ? ? ? ? ? ? ;chain 'H' and (resid 1 through 12 ) ; # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.9_1692 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 4 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O C HOH 304 ? ? O C HOH 320 ? ? 1.59 2 1 O A HOH 318 ? ? O A HOH 382 ? ? 1.66 3 1 O A HOH 336 ? ? O A HOH 432 ? ? 1.70 4 1 O D HOH 382 ? ? O D HOH 402 ? ? 1.71 5 1 O C HOH 276 ? ? O C HOH 291 ? ? 1.76 6 1 O B HOH 369 ? ? O B HOH 402 ? ? 1.80 7 1 O A HOH 362 ? ? O A HOH 370 ? ? 1.83 8 1 O A HOH 431 ? ? O A HOH 458 ? ? 1.84 9 1 O E HOH 101 ? ? O F HOH 122 ? ? 1.87 10 1 O D HOH 356 ? ? O D HOH 403 ? ? 1.88 11 1 O C HOH 205 ? ? O C HOH 289 ? ? 1.91 12 1 NH1 C ARG 94 ? ? O C HOH 201 ? ? 1.94 13 1 N A VAL 90 ? ? O A HOH 301 ? ? 1.94 14 1 NH2 C ARG 71 ? ? O C HOH 202 ? ? 1.95 15 1 O E HOH 152 ? ? O E HOH 158 ? ? 1.95 16 1 O C HOH 298 ? ? O C HOH 301 ? ? 1.97 17 1 O B HOH 363 ? ? O B HOH 376 ? ? 1.98 18 1 O C HOH 235 ? ? O C HOH 281 ? ? 1.99 19 1 OE1 D GLU 113 ? ? O D HOH 301 ? ? 1.99 20 1 O A HOH 400 ? ? O A HOH 462 ? ? 1.99 21 1 NH2 C ARG 117 ? ? O C HOH 203 ? ? 2.01 22 1 O B HOH 415 ? ? O C HOH 311 ? ? 2.01 23 1 O B HOH 371 ? ? O B HOH 411 ? ? 2.02 24 1 O B HOH 385 ? ? O B HOH 394 ? ? 2.02 25 1 O C HOH 268 ? ? O D HOH 308 ? ? 2.03 26 1 O C HOH 253 ? ? O C HOH 310 ? ? 2.03 27 1 O A HOH 439 ? ? O B HOH 383 ? ? 2.05 28 1 O G HOH 134 ? ? O G HOH 136 ? ? 2.06 29 1 O C HOH 276 ? ? O C HOH 318 ? ? 2.06 30 1 O B HOH 369 ? ? O B HOH 411 ? ? 2.07 31 1 O H HOH 122 ? ? O H HOH 128 ? ? 2.07 32 1 O A HOH 391 ? ? O A HOH 399 ? ? 2.08 33 1 O D HOH 353 ? ? O D HOH 379 ? ? 2.08 34 1 O A HOH 396 ? ? O A HOH 402 ? ? 2.09 35 1 O D HOH 309 ? ? O D HOH 398 ? ? 2.09 36 1 O B HOH 321 ? ? O B HOH 347 ? ? 2.09 37 1 O A HOH 309 ? ? O A HOH 386 ? ? 2.10 38 1 OP2 F DT 6 ? ? O F HOH 101 ? ? 2.12 39 1 O D HOH 374 ? ? O D HOH 375 ? ? 2.12 40 1 O A HOH 345 ? ? O A HOH 439 ? ? 2.12 41 1 NE2 C GLN 49 ? ? O C HOH 204 ? ? 2.12 42 1 O A HOH 313 ? ? O A HOH 324 ? ? 2.13 43 1 O B HOH 402 ? ? O B HOH 411 ? ? 2.13 44 1 O A HOH 309 ? ? O A HOH 448 ? ? 2.13 45 1 O C HOH 270 ? ? O D HOH 381 ? ? 2.15 46 1 O C HOH 292 ? ? O C HOH 316 ? ? 2.16 47 1 O C HOH 299 ? ? O H HOH 118 ? ? 2.16 48 1 OH B TYR 60 ? ? O B HOH 301 ? ? 2.17 49 1 NH1 A ARG 94 ? ? O A HOH 302 ? ? 2.18 50 1 O A HOH 440 ? ? O B HOH 386 ? ? 2.18 51 1 O D ALA 33 ? ? O D HOH 302 ? ? 2.18 52 1 O C HOH 254 ? ? O D HOH 378 ? ? 2.19 53 1 O A HOH 408 ? ? O A HOH 426 ? ? 2.19 # loop_ _pdbx_validate_symm_contact.id _pdbx_validate_symm_contact.PDB_model_num _pdbx_validate_symm_contact.auth_atom_id_1 _pdbx_validate_symm_contact.auth_asym_id_1 _pdbx_validate_symm_contact.auth_comp_id_1 _pdbx_validate_symm_contact.auth_seq_id_1 _pdbx_validate_symm_contact.PDB_ins_code_1 _pdbx_validate_symm_contact.label_alt_id_1 _pdbx_validate_symm_contact.site_symmetry_1 _pdbx_validate_symm_contact.auth_atom_id_2 _pdbx_validate_symm_contact.auth_asym_id_2 _pdbx_validate_symm_contact.auth_comp_id_2 _pdbx_validate_symm_contact.auth_seq_id_2 _pdbx_validate_symm_contact.PDB_ins_code_2 _pdbx_validate_symm_contact.label_alt_id_2 _pdbx_validate_symm_contact.site_symmetry_2 _pdbx_validate_symm_contact.dist 1 1 O A HOH 393 ? ? 1_555 O B HOH 393 ? ? 1_655 1.76 2 1 O B HOH 403 ? ? 1_555 O C HOH 302 ? ? 1_455 1.94 3 1 O A HOH 429 ? ? 1_555 O H HOH 124 ? ? 2_556 2.01 4 1 O A HOH 403 ? ? 1_555 O C HOH 282 ? ? 1_554 2.03 5 1 O G HOH 102 ? ? 1_555 O G HOH 133 ? ? 1_655 2.14 6 1 O B HOH 409 ? ? 1_555 O D HOH 374 ? ? 1_455 2.17 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASP C 48 ? ? 45.93 73.48 2 1 ASP D 48 ? ? 67.49 84.74 # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? A HOH 473 ? 6.59 . 2 1 O ? B HOH 423 ? 6.84 . 3 1 O ? B HOH 424 ? 7.16 . 4 1 O ? E HOH 158 ? 5.82 . 5 1 O ? E HOH 159 ? 6.67 . 6 1 O ? F HOH 155 ? 7.98 . 7 1 O ? C HOH 320 ? 5.84 . 8 1 O ? C HOH 321 ? 6.16 . 9 1 O ? C HOH 322 ? 6.82 . # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A HIS 9 ? A HIS 1 2 1 Y 1 A HIS 10 ? A HIS 2 3 1 Y 1 A HIS 11 ? A HIS 3 4 1 Y 1 A HIS 12 ? A HIS 4 5 1 Y 1 A HIS 13 ? A HIS 5 6 1 Y 1 A GLN 86 ? A GLN 78 7 1 Y 1 A GLY 87 ? A GLY 79 8 1 Y 1 A GLY 88 ? A GLY 80 9 1 Y 1 A LEU 89 ? A LEU 81 10 1 Y 1 A VAL 119 ? A VAL 111 11 1 Y 1 A THR 120 ? A THR 112 12 1 Y 1 B HIS 9 ? B HIS 1 13 1 Y 1 B HIS 10 ? B HIS 2 14 1 Y 1 B HIS 11 ? B HIS 3 15 1 Y 1 B HIS 12 ? B HIS 4 16 1 Y 1 B GLY 87 ? B GLY 79 17 1 Y 1 B GLY 88 ? B GLY 80 18 1 Y 1 B LEU 89 ? B LEU 81 19 1 Y 1 B VAL 90 ? B VAL 82 20 1 Y 1 B LYS 91 ? B LYS 83 21 1 Y 1 B PRO 92 ? B PRO 84 22 1 Y 1 B GLU 93 ? B GLU 85 23 1 Y 1 B VAL 119 ? B VAL 111 24 1 Y 1 B THR 120 ? B THR 112 25 1 Y 1 C HIS 9 ? E HIS 1 26 1 Y 1 C HIS 10 ? E HIS 2 27 1 Y 1 C HIS 11 ? E HIS 3 28 1 Y 1 C VAL 119 ? E VAL 111 29 1 Y 1 C THR 120 ? E THR 112 30 1 Y 1 D HIS 9 ? F HIS 1 31 1 Y 1 D HIS 10 ? F HIS 2 32 1 Y 1 D HIS 11 ? F HIS 3 33 1 Y 1 D HIS 12 ? F HIS 4 34 1 Y 1 D HIS 13 ? F HIS 5 35 1 Y 1 D GLU 85 ? F GLU 77 36 1 Y 1 D GLN 86 ? F GLN 78 37 1 Y 1 D GLY 87 ? F GLY 79 38 1 Y 1 D GLY 88 ? F GLY 80 39 1 Y 1 D LEU 89 ? F LEU 81 40 1 Y 1 D VAL 90 ? F VAL 82 41 1 Y 1 D LYS 91 ? F LYS 83 42 1 Y 1 D PRO 92 ? F PRO 84 43 1 Y 1 D GLU 93 ? F GLU 85 44 1 Y 1 D ARG 94 ? F ARG 86 45 1 Y 1 D ASP 95 ? F ASP 87 46 1 Y 1 D VAL 119 ? F VAL 111 47 1 Y 1 D THR 120 ? F THR 112 # _ndb_struct_conf_na.entry_id 5HDN _ndb_struct_conf_na.feature 'b-form double helix' # loop_ _ndb_struct_na_base_pair.model_number _ndb_struct_na_base_pair.i_label_asym_id _ndb_struct_na_base_pair.i_label_comp_id _ndb_struct_na_base_pair.i_label_seq_id _ndb_struct_na_base_pair.i_symmetry _ndb_struct_na_base_pair.j_label_asym_id _ndb_struct_na_base_pair.j_label_comp_id _ndb_struct_na_base_pair.j_label_seq_id _ndb_struct_na_base_pair.j_symmetry _ndb_struct_na_base_pair.shear _ndb_struct_na_base_pair.stretch _ndb_struct_na_base_pair.stagger _ndb_struct_na_base_pair.buckle _ndb_struct_na_base_pair.propeller _ndb_struct_na_base_pair.opening _ndb_struct_na_base_pair.pair_number _ndb_struct_na_base_pair.pair_name _ndb_struct_na_base_pair.i_auth_asym_id _ndb_struct_na_base_pair.i_auth_seq_id _ndb_struct_na_base_pair.i_PDB_ins_code _ndb_struct_na_base_pair.j_auth_asym_id _ndb_struct_na_base_pair.j_auth_seq_id _ndb_struct_na_base_pair.j_PDB_ins_code _ndb_struct_na_base_pair.hbond_type_28 _ndb_struct_na_base_pair.hbond_type_12 1 C DG 1 1_555 D DC 12 1_555 -0.252 -0.124 0.222 11.785 -3.196 0.036 1 E_DG1:DC12_F E 1 ? F 12 ? 19 1 1 C DG 2 1_555 D DC 11 1_555 -0.314 -0.156 0.004 -0.845 -13.872 0.639 2 E_DG2:DC11_F E 2 ? F 11 ? 19 1 1 C DT 3 1_555 D DA 10 1_555 -0.101 -0.164 0.237 -4.620 -14.730 0.654 3 E_DT3:DA10_F E 3 ? F 10 ? 20 1 1 C DT 4 1_555 D DA 9 1_555 -0.118 -0.142 0.227 -4.502 -16.977 3.397 4 E_DT4:DA9_F E 4 ? F 9 ? 20 1 1 C DC 5 1_555 D DG 8 1_555 0.295 -0.200 0.150 -8.782 -11.028 1.183 5 E_DC5:DG8_F E 5 ? F 8 ? 19 1 1 C DT 6 1_555 D DA 7 1_555 0.191 -0.213 0.064 -2.250 -6.407 3.339 6 E_DT6:DA7_F E 6 ? F 7 ? 20 1 1 C DA 7 1_555 D DT 6 1_555 0.026 -0.123 0.189 4.729 -11.729 3.893 7 E_DA7:DT6_F E 7 ? F 6 ? 20 1 1 C DG 8 1_555 D DC 5 1_555 -0.150 -0.072 0.273 9.559 -13.240 2.458 8 E_DG8:DC5_F E 8 ? F 5 ? 19 1 1 C DA 9 1_555 D DT 4 1_555 0.211 -0.098 -0.018 -2.786 -16.912 2.200 9 E_DA9:DT4_F E 9 ? F 4 ? 20 1 1 C DA 10 1_555 D DT 3 1_555 0.158 -0.168 0.198 -2.002 -14.578 0.185 10 E_DA10:DT3_F E 10 ? F 3 ? 20 1 1 C DC 11 1_555 D DG 2 1_555 0.252 -0.126 0.120 -1.220 -6.235 -0.012 11 E_DC11:DG2_F E 11 ? F 2 ? 19 1 1 C DC 12 1_555 D DG 1 1_555 0.427 -0.120 0.020 -0.599 -6.168 0.130 12 E_DC12:DG1_F E 12 ? F 1 ? 19 1 1 G DG 1 1_555 H DC 12 1_555 -0.415 -0.246 0.305 5.928 -9.299 2.000 13 G_DG1:DC12_H G 1 ? H 12 ? 19 1 1 G DG 2 1_555 H DC 11 1_555 -0.660 -0.176 0.201 0.975 -9.952 0.154 14 G_DG2:DC11_H G 2 ? H 11 ? 19 1 1 G DT 3 1_555 H DA 10 1_555 -0.182 -0.076 0.118 5.165 -14.358 3.030 15 G_DT3:DA10_H G 3 ? H 10 ? 20 1 1 G DT 4 1_555 H DA 9 1_555 -0.016 -0.056 -0.130 6.476 -18.044 3.580 16 G_DT4:DA9_H G 4 ? H 9 ? 20 1 1 G DC 5 1_555 H DG 8 1_555 0.151 -0.082 0.613 -14.202 -13.749 2.199 17 G_DC5:DG8_H G 5 ? H 8 ? 19 1 1 G DT 6 1_555 H DA 7 1_555 -0.058 -0.081 0.410 -9.825 -10.633 2.785 18 G_DT6:DA7_H G 6 ? H 7 ? 20 1 1 G DA 7 1_555 H DT 6 1_555 -0.087 -0.178 0.409 0.351 -6.349 7.972 19 G_DA7:DT6_H G 7 ? H 6 ? 20 1 1 G DG 8 1_555 H DC 5 1_555 -0.232 -0.103 0.403 15.890 -14.009 1.564 20 G_DG8:DC5_H G 8 ? H 5 ? 19 1 1 G DA 9 1_555 H DT 4 1_555 0.231 -0.053 0.202 13.048 -17.427 0.260 21 G_DA9:DT4_H G 9 ? H 4 ? 20 1 1 G DA 10 1_555 H DT 3 1_555 0.072 -0.243 0.196 5.185 -14.819 3.795 22 G_DA10:DT3_H G 10 ? H 3 ? 20 1 1 G DC 11 1_555 H DG 2 1_555 0.321 -0.189 0.156 0.452 -12.342 0.076 23 G_DC11:DG2_H G 11 ? H 2 ? 19 1 1 G DC 12 1_555 H DG 1 1_555 0.283 -0.161 0.424 -7.706 -7.674 0.031 24 G_DC12:DG1_H G 12 ? H 1 ? 19 1 # loop_ _ndb_struct_na_base_pair_step.model_number _ndb_struct_na_base_pair_step.i_label_asym_id_1 _ndb_struct_na_base_pair_step.i_label_comp_id_1 _ndb_struct_na_base_pair_step.i_label_seq_id_1 _ndb_struct_na_base_pair_step.i_symmetry_1 _ndb_struct_na_base_pair_step.j_label_asym_id_1 _ndb_struct_na_base_pair_step.j_label_comp_id_1 _ndb_struct_na_base_pair_step.j_label_seq_id_1 _ndb_struct_na_base_pair_step.j_symmetry_1 _ndb_struct_na_base_pair_step.i_label_asym_id_2 _ndb_struct_na_base_pair_step.i_label_comp_id_2 _ndb_struct_na_base_pair_step.i_label_seq_id_2 _ndb_struct_na_base_pair_step.i_symmetry_2 _ndb_struct_na_base_pair_step.j_label_asym_id_2 _ndb_struct_na_base_pair_step.j_label_comp_id_2 _ndb_struct_na_base_pair_step.j_label_seq_id_2 _ndb_struct_na_base_pair_step.j_symmetry_2 _ndb_struct_na_base_pair_step.shift _ndb_struct_na_base_pair_step.slide _ndb_struct_na_base_pair_step.rise _ndb_struct_na_base_pair_step.tilt _ndb_struct_na_base_pair_step.roll _ndb_struct_na_base_pair_step.twist _ndb_struct_na_base_pair_step.x_displacement _ndb_struct_na_base_pair_step.y_displacement _ndb_struct_na_base_pair_step.helical_rise _ndb_struct_na_base_pair_step.inclination _ndb_struct_na_base_pair_step.tip _ndb_struct_na_base_pair_step.helical_twist _ndb_struct_na_base_pair_step.step_number _ndb_struct_na_base_pair_step.step_name _ndb_struct_na_base_pair_step.i_auth_asym_id_1 _ndb_struct_na_base_pair_step.i_auth_seq_id_1 _ndb_struct_na_base_pair_step.i_PDB_ins_code_1 _ndb_struct_na_base_pair_step.j_auth_asym_id_1 _ndb_struct_na_base_pair_step.j_auth_seq_id_1 _ndb_struct_na_base_pair_step.j_PDB_ins_code_1 _ndb_struct_na_base_pair_step.i_auth_asym_id_2 _ndb_struct_na_base_pair_step.i_auth_seq_id_2 _ndb_struct_na_base_pair_step.i_PDB_ins_code_2 _ndb_struct_na_base_pair_step.j_auth_asym_id_2 _ndb_struct_na_base_pair_step.j_auth_seq_id_2 _ndb_struct_na_base_pair_step.j_PDB_ins_code_2 1 C DG 1 1_555 D DC 12 1_555 C DG 2 1_555 D DC 11 1_555 -0.358 -0.413 3.616 -0.391 3.060 36.258 -1.131 0.513 3.574 4.906 0.627 36.385 1 EE_DG1DG2:DC11DC12_FF E 1 ? F 12 ? E 2 ? F 11 ? 1 C DG 2 1_555 D DC 11 1_555 C DT 3 1_555 D DA 10 1_555 -0.084 -0.680 3.345 -2.451 -0.712 35.023 -1.019 -0.237 3.356 -1.181 4.067 35.113 2 EE_DG2DT3:DA10DC11_FF E 2 ? F 11 ? E 3 ? F 10 ? 1 C DT 3 1_555 D DA 10 1_555 C DT 4 1_555 D DA 9 1_555 0.235 -0.213 3.183 -0.094 -0.675 38.231 -0.242 -0.370 3.186 -1.030 0.143 38.237 3 EE_DT3DT4:DA9DA10_FF E 3 ? F 10 ? E 4 ? F 9 ? 1 C DT 4 1_555 D DA 9 1_555 C DC 5 1_555 D DG 8 1_555 -0.123 0.023 3.393 0.642 2.733 39.478 -0.298 0.260 3.384 4.040 -0.948 39.574 4 EE_DT4DC5:DG8DA9_FF E 4 ? F 9 ? E 5 ? F 8 ? 1 C DC 5 1_555 D DG 8 1_555 C DT 6 1_555 D DA 7 1_555 0.350 0.266 3.184 2.474 9.326 28.074 -1.432 -0.167 3.128 18.545 -4.919 29.655 5 EE_DC5DT6:DA7DG8_FF E 5 ? F 8 ? E 6 ? F 7 ? 1 C DT 6 1_555 D DA 7 1_555 C DA 7 1_555 D DT 6 1_555 -0.345 1.395 3.154 -2.503 -0.784 41.426 2.049 0.230 3.143 -1.107 3.534 41.505 6 EE_DT6DA7:DT6DA7_FF E 6 ? F 7 ? E 7 ? F 6 ? 1 C DA 7 1_555 D DT 6 1_555 C DG 8 1_555 D DC 5 1_555 0.300 -0.143 3.170 -1.338 5.085 28.379 -1.379 -0.889 3.081 10.260 2.699 28.852 7 EE_DA7DG8:DC5DT6_FF E 7 ? F 6 ? E 8 ? F 5 ? 1 C DG 8 1_555 D DC 5 1_555 C DA 9 1_555 D DT 4 1_555 -0.380 -0.124 3.549 0.598 0.448 40.735 -0.231 0.617 3.542 0.644 -0.858 40.742 8 EE_DG8DA9:DT4DC5_FF E 8 ? F 5 ? E 9 ? F 4 ? 1 C DA 9 1_555 D DT 4 1_555 C DA 10 1_555 D DT 3 1_555 -0.323 -0.140 3.155 -2.033 0.619 36.983 -0.301 0.245 3.165 0.974 3.202 37.042 9 EE_DA9DA10:DT3DT4_FF E 9 ? F 4 ? E 10 ? F 3 ? 1 C DA 10 1_555 D DT 3 1_555 C DC 11 1_555 D DG 2 1_555 0.520 -0.638 3.241 0.933 3.873 28.487 -2.136 -0.841 3.143 7.821 -1.883 28.759 10 EE_DA10DC11:DG2DT3_FF E 10 ? F 3 ? E 11 ? F 2 ? 1 C DC 11 1_555 D DG 2 1_555 C DC 12 1_555 D DG 1 1_555 0.529 -0.473 3.280 2.427 2.270 34.650 -1.137 -0.513 3.272 3.800 -4.063 34.804 11 EE_DC11DC12:DG1DG2_FF E 11 ? F 2 ? E 12 ? F 1 ? 1 G DG 1 1_555 H DC 12 1_555 G DG 2 1_555 H DC 11 1_555 -0.702 -0.685 3.400 -2.335 1.904 33.332 -1.516 0.818 3.397 3.312 4.060 33.464 12 GG_DG1DG2:DC11DC12_HH G 1 ? H 12 ? G 2 ? H 11 ? 1 G DG 2 1_555 H DC 11 1_555 G DT 3 1_555 H DA 10 1_555 0.357 -0.688 3.117 0.321 2.505 31.740 -1.686 -0.595 3.059 4.571 -0.586 31.838 13 GG_DG2DT3:DA10DC11_HH G 2 ? H 11 ? G 3 ? H 10 ? 1 G DT 3 1_555 H DA 10 1_555 G DT 4 1_555 H DA 9 1_555 -0.029 -0.406 3.151 2.947 -2.419 35.612 -0.325 0.457 3.159 -3.941 -4.801 35.808 14 GG_DT3DT4:DA9DA10_HH G 3 ? H 10 ? G 4 ? H 9 ? 1 G DT 4 1_555 H DA 9 1_555 G DC 5 1_555 H DG 8 1_555 0.097 -0.448 3.742 -5.269 -0.245 40.843 -0.607 -0.789 3.704 -0.349 7.513 41.168 15 GG_DT4DC5:DG8DA9_HH G 4 ? H 9 ? G 5 ? H 8 ? 1 G DC 5 1_555 H DG 8 1_555 G DT 6 1_555 H DA 7 1_555 -0.294 -0.278 3.198 2.407 0.899 29.829 -0.720 1.053 3.155 1.743 -4.664 29.937 16 GG_DC5DT6:DA7DG8_HH G 5 ? H 8 ? G 6 ? H 7 ? 1 G DT 6 1_555 H DA 7 1_555 G DA 7 1_555 H DT 6 1_555 0.436 1.462 3.092 -0.387 -0.478 39.585 2.211 -0.686 3.071 -0.706 0.571 39.589 17 GG_DT6DA7:DT6DA7_HH G 6 ? H 7 ? G 7 ? H 6 ? 1 G DA 7 1_555 H DT 6 1_555 G DG 8 1_555 H DC 5 1_555 -0.526 0.297 3.010 -0.045 5.187 28.458 -0.473 1.045 3.016 10.442 0.090 28.917 18 GG_DA7DG8:DC5DT6_HH G 7 ? H 6 ? G 8 ? H 5 ? 1 G DG 8 1_555 H DC 5 1_555 G DA 9 1_555 H DT 4 1_555 -0.061 0.022 3.340 1.262 -0.044 39.005 0.038 0.246 3.336 -0.066 -1.890 39.025 19 GG_DG8DA9:DT4DC5_HH G 8 ? H 5 ? G 9 ? H 4 ? 1 G DA 9 1_555 H DT 4 1_555 G DA 10 1_555 H DT 3 1_555 0.237 -0.191 3.392 0.328 -3.107 39.388 0.097 -0.310 3.398 -4.601 -0.486 39.507 20 GG_DA9DA10:DT3DT4_HH G 9 ? H 4 ? G 10 ? H 3 ? 1 G DA 10 1_555 H DT 3 1_555 G DC 11 1_555 H DG 2 1_555 0.290 -0.756 3.397 0.063 -1.192 36.149 -1.043 -0.457 3.420 -1.921 -0.101 36.168 21 GG_DA10DC11:DG2DT3_HH G 10 ? H 3 ? G 11 ? H 2 ? 1 G DC 11 1_555 H DG 2 1_555 G DC 12 1_555 H DG 1 1_555 0.015 -0.811 3.414 -0.338 4.474 34.569 -2.053 -0.078 3.286 7.489 0.565 34.850 22 GG_DC11DC12:DG1DG2_HH G 11 ? H 2 ? G 12 ? H 1 ? # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 'CITRIC ACID' CIT 4 'SODIUM ION' NA 5 water HOH #