data_4BQ9 # _entry.id 4BQ9 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4BQ9 PDBE EBI-57068 WWPDB D_1290057068 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 4BQ6 unspecified 'CRYSTAL STRUCTURE OF THE RGMB-NEO1 COMPLEX FORM 1' PDB 4BQ7 unspecified 'CRYSTAL STRUCTURE OF THE RGMB-NEO1 COMPLEX FORM 2' PDB 4BQ8 unspecified 'CRYSTAL STRUCTURE OF THE RGMB-NEO1 COMPLEX FORM 3' PDB 4BQB unspecified 'CRYSTAL STRUCTURE OF THE FN5 AND FN6 DOMAINS OF NEO1, FORM 2' PDB 4BQC unspecified 'CRYSTAL STRUCTURE OF THE FN5 AND FN6 DOMAINS OF NEO1 BOUND TO SOS' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4BQ9 _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2013-05-30 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Bell, C.H.' 1 'Healey, E.' 2 'van Erp, S.' 3 'Bishop, B.' 4 'Tang, C.' 5 'Gilbert, R.J.C.' 6 'Aricescu, A.R.' 7 'Pasterkamp, R.J.' 8 'Siebold, C.' 9 # _citation.id primary _citation.title 'Structure of the Repulsive Guidance Molecule (Rgm)-Neogenin Signaling Hub' _citation.journal_abbrev Science _citation.journal_volume 341 _citation.page_first 77 _citation.page_last ? _citation.year 2013 _citation.journal_id_ASTM SCIEAS _citation.country US _citation.journal_id_ISSN 0036-8075 _citation.journal_id_CSD 0038 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23744777 _citation.pdbx_database_id_DOI 10.1126/SCIENCE.1232322 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Bell, C.H.' 1 primary 'Healey, E.' 2 primary 'Van Erp, S.' 3 primary 'Bishop, B.' 4 primary 'Tang, C.' 5 primary 'Gilbert, R.J.C.' 6 primary 'Aricescu, A.R.' 7 primary 'Pasterkamp, R.J.' 8 primary 'Siebold, C.' 9 # _cell.entry_id 4BQ9 _cell.length_a 103.551 _cell.length_b 103.551 _cell.length_c 110.776 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 12 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4BQ9 _symmetry.space_group_name_H-M 'P 31 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 152 # 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 NEOGENIN 24076.307 2 ? ? 'FN-TYPE III DOMAINS 5 AND 6, RESIDUES 883-1083' 'N-LINKED GLYCOSYLATION AT N940' 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;ETGTPMMPPVGVQASILSHDTIRITWADNSLPKHQKITDSRYYTVRWKTNIPANTKYKNANATTLSYLVTGLKPNTLYEF SVMVTKGRRSSTWSMTAHGATFELVPTSPPKDVTVVSKEGKPRTIIVNWQPPSEANGKITGYIIYYSTDVNAEIHDWVIE PVVGNRLTHQIQELTLDTPYYFKIQARNSKGMGPMSEAVQFRTPGTKHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;ETGTPMMPPVGVQASILSHDTIRITWADNSLPKHQKITDSRYYTVRWKTNIPANTKYKNANATTLSYLVTGLKPNTLYEF SVMVTKGRRSSTWSMTAHGATFELVPTSPPKDVTVVSKEGKPRTIIVNWQPPSEANGKITGYIIYYSTDVNAEIHDWVIE PVVGNRLTHQIQELTLDTPYYFKIQARNSKGMGPMSEAVQFRTPGTKHHHHHH ; _entity_poly.pdbx_strand_id A,B _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLU n 1 2 THR n 1 3 GLY n 1 4 THR n 1 5 PRO n 1 6 MET n 1 7 MET n 1 8 PRO n 1 9 PRO n 1 10 VAL n 1 11 GLY n 1 12 VAL n 1 13 GLN n 1 14 ALA n 1 15 SER n 1 16 ILE n 1 17 LEU n 1 18 SER n 1 19 HIS n 1 20 ASP n 1 21 THR n 1 22 ILE n 1 23 ARG n 1 24 ILE n 1 25 THR n 1 26 TRP n 1 27 ALA n 1 28 ASP n 1 29 ASN n 1 30 SER n 1 31 LEU n 1 32 PRO n 1 33 LYS n 1 34 HIS n 1 35 GLN n 1 36 LYS n 1 37 ILE n 1 38 THR n 1 39 ASP n 1 40 SER n 1 41 ARG n 1 42 TYR n 1 43 TYR n 1 44 THR n 1 45 VAL n 1 46 ARG n 1 47 TRP n 1 48 LYS n 1 49 THR n 1 50 ASN n 1 51 ILE n 1 52 PRO n 1 53 ALA n 1 54 ASN n 1 55 THR n 1 56 LYS n 1 57 TYR n 1 58 LYS n 1 59 ASN n 1 60 ALA n 1 61 ASN n 1 62 ALA n 1 63 THR n 1 64 THR n 1 65 LEU n 1 66 SER n 1 67 TYR n 1 68 LEU n 1 69 VAL n 1 70 THR n 1 71 GLY n 1 72 LEU n 1 73 LYS n 1 74 PRO n 1 75 ASN n 1 76 THR n 1 77 LEU n 1 78 TYR n 1 79 GLU n 1 80 PHE n 1 81 SER n 1 82 VAL n 1 83 MET n 1 84 VAL n 1 85 THR n 1 86 LYS n 1 87 GLY n 1 88 ARG n 1 89 ARG n 1 90 SER n 1 91 SER n 1 92 THR n 1 93 TRP n 1 94 SER n 1 95 MET n 1 96 THR n 1 97 ALA n 1 98 HIS n 1 99 GLY n 1 100 ALA n 1 101 THR n 1 102 PHE n 1 103 GLU n 1 104 LEU n 1 105 VAL n 1 106 PRO n 1 107 THR n 1 108 SER n 1 109 PRO n 1 110 PRO n 1 111 LYS n 1 112 ASP n 1 113 VAL n 1 114 THR n 1 115 VAL n 1 116 VAL n 1 117 SER n 1 118 LYS n 1 119 GLU n 1 120 GLY n 1 121 LYS n 1 122 PRO n 1 123 ARG n 1 124 THR n 1 125 ILE n 1 126 ILE n 1 127 VAL n 1 128 ASN n 1 129 TRP n 1 130 GLN n 1 131 PRO n 1 132 PRO n 1 133 SER n 1 134 GLU n 1 135 ALA n 1 136 ASN n 1 137 GLY n 1 138 LYS n 1 139 ILE n 1 140 THR n 1 141 GLY n 1 142 TYR n 1 143 ILE n 1 144 ILE n 1 145 TYR n 1 146 TYR n 1 147 SER n 1 148 THR n 1 149 ASP n 1 150 VAL n 1 151 ASN n 1 152 ALA n 1 153 GLU n 1 154 ILE n 1 155 HIS n 1 156 ASP n 1 157 TRP n 1 158 VAL n 1 159 ILE n 1 160 GLU n 1 161 PRO n 1 162 VAL n 1 163 VAL n 1 164 GLY n 1 165 ASN n 1 166 ARG n 1 167 LEU n 1 168 THR n 1 169 HIS n 1 170 GLN n 1 171 ILE n 1 172 GLN n 1 173 GLU n 1 174 LEU n 1 175 THR n 1 176 LEU n 1 177 ASP n 1 178 THR n 1 179 PRO n 1 180 TYR n 1 181 TYR n 1 182 PHE n 1 183 LYS n 1 184 ILE n 1 185 GLN n 1 186 ALA n 1 187 ARG n 1 188 ASN n 1 189 SER n 1 190 LYS n 1 191 GLY n 1 192 MET n 1 193 GLY n 1 194 PRO n 1 195 MET n 1 196 SER n 1 197 GLU n 1 198 ALA n 1 199 VAL n 1 200 GLN n 1 201 PHE n 1 202 ARG n 1 203 THR n 1 204 PRO n 1 205 GLY n 1 206 THR n 1 207 LYS n 1 208 HIS n 1 209 HIS n 1 210 HIS n 1 211 HIS n 1 212 HIS n 1 213 HIS n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _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 MOUSE _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 'MUS MUSCULUS' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10090 _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 HUMAN _entity_src_gen.pdbx_host_org_scientific_name 'HOMO SAPIENS' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9606 _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 'HEK293T CELLS' _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 PHLSEC _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code NEO1_MOUSE _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession P97798 _struct_ref.pdbx_db_isoform ? # 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 4BQ9 A 4 ? 204 ? P97798 883 ? 1083 ? 883 1083 2 1 4BQ9 B 4 ? 204 ? P97798 883 ? 1083 ? 883 1083 # 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 4BQ9 GLU A 1 ? UNP P97798 ? ? 'expression tag' 880 1 1 4BQ9 THR A 2 ? UNP P97798 ? ? 'expression tag' 881 2 1 4BQ9 GLY A 3 ? UNP P97798 ? ? 'expression tag' 882 3 1 4BQ9 GLY A 205 ? UNP P97798 ? ? 'expression tag' 1084 4 1 4BQ9 THR A 206 ? UNP P97798 ? ? 'expression tag' 1085 5 1 4BQ9 LYS A 207 ? UNP P97798 ? ? 'expression tag' 1086 6 1 4BQ9 HIS A 208 ? UNP P97798 ? ? 'expression tag' 1087 7 1 4BQ9 HIS A 209 ? UNP P97798 ? ? 'expression tag' 1088 8 1 4BQ9 HIS A 210 ? UNP P97798 ? ? 'expression tag' 1089 9 1 4BQ9 HIS A 211 ? UNP P97798 ? ? 'expression tag' 1090 10 1 4BQ9 HIS A 212 ? UNP P97798 ? ? 'expression tag' 1091 11 1 4BQ9 HIS A 213 ? UNP P97798 ? ? 'expression tag' 1092 12 2 4BQ9 GLU B 1 ? UNP P97798 ? ? 'expression tag' 880 13 2 4BQ9 THR B 2 ? UNP P97798 ? ? 'expression tag' 881 14 2 4BQ9 GLY B 3 ? UNP P97798 ? ? 'expression tag' 882 15 2 4BQ9 GLY B 205 ? UNP P97798 ? ? 'expression tag' 1084 16 2 4BQ9 THR B 206 ? UNP P97798 ? ? 'expression tag' 1085 17 2 4BQ9 LYS B 207 ? UNP P97798 ? ? 'expression tag' 1086 18 2 4BQ9 HIS B 208 ? UNP P97798 ? ? 'expression tag' 1087 19 2 4BQ9 HIS B 209 ? UNP P97798 ? ? 'expression tag' 1088 20 2 4BQ9 HIS B 210 ? UNP P97798 ? ? 'expression tag' 1089 21 2 4BQ9 HIS B 211 ? UNP P97798 ? ? 'expression tag' 1090 22 2 4BQ9 HIS B 212 ? UNP P97798 ? ? 'expression tag' 1091 23 2 4BQ9 HIS B 213 ? UNP P97798 ? ? 'expression tag' 1092 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 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 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 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 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.entry_id 4BQ9 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.56 _exptl_crystal.density_percent_sol 68 _exptl_crystal.description NONE # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8.5 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '0.1 M TRIS-HCL, PH 8.5, 0.2 M SODIUM ACETATE, 30% PEG4000' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC CCD' _diffrn_detector.pdbx_collection_date ? _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.93930 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE ID14-4' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline ID14-4 _diffrn_source.pdbx_wavelength 0.93930 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4BQ9 _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30.00 _reflns.d_resolution_high 2.90 _reflns.number_obs 15545 _reflns.number_all ? _reflns.percent_possible_obs 99.9 _reflns.pdbx_Rmerge_I_obs 0.14 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 10.80 _reflns.B_iso_Wilson_estimate 72.12 _reflns.pdbx_redundancy 4.2 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.90 _reflns_shell.d_res_low 3.00 _reflns_shell.percent_possible_all 100.0 _reflns_shell.Rmerge_I_obs 0.87 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 1.50 _reflns_shell.pdbx_redundancy 4.3 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4BQ9 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 15443 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 30.00 _refine.ls_d_res_high 2.91 _refine.ls_percent_reflns_obs 99.90 _refine.ls_R_factor_obs 0.2060 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.2048 _refine.ls_R_factor_R_free 0.2295 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.01 _refine.ls_number_reflns_R_free 774 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.9159 _refine.correlation_coeff_Fo_to_Fc_free 0.8952 _refine.B_iso_mean 69.09 _refine.aniso_B[1][1] -5.5369 _refine.aniso_B[2][2] -5.5369 _refine.aniso_B[3][3] 11.0738 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] 0.0000 _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'NEO1 CHAIN B RESIDUES P883, K912-I916, P931-N933, K965-S969, G1084-H1087 MISSING BECAUSE OF DISORDER' _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI 0.619 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI 0.301 _refine.pdbx_overall_SU_R_Blow_DPI 0.589 _refine.pdbx_overall_SU_R_free_Blow_DPI 0.293 # _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.entry_id 4BQ9 _refine_analyze.Luzzati_coordinate_error_obs 0.475 _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3109 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 28 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 3137 _refine_hist.d_res_high 2.91 _refine_hist.d_res_low 30.00 # 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 t_bond_d 0.010 ? 2.00 3223 'X-RAY DIFFRACTION' HARMONIC t_angle_deg 1.20 ? 2.00 4405 'X-RAY DIFFRACTION' HARMONIC t_dihedral_angle_d ? ? 2.00 1073 'X-RAY DIFFRACTION' SINUSOIDAL t_incorr_chiral_ct ? ? ? ? 'X-RAY DIFFRACTION' ? t_pseud_angle ? ? ? ? 'X-RAY DIFFRACTION' ? t_trig_c_planes ? ? 2.00 64 'X-RAY DIFFRACTION' HARMONIC t_gen_planes ? ? 5.00 457 'X-RAY DIFFRACTION' HARMONIC t_it ? ? 20.00 3223 'X-RAY DIFFRACTION' HARMONIC t_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? t_omega_torsion 3.00 ? ? ? 'X-RAY DIFFRACTION' ? t_other_torsion 18.72 ? ? ? 'X-RAY DIFFRACTION' ? t_improper_torsion ? ? ? ? 'X-RAY DIFFRACTION' ? t_chiral_improper_torsion ? ? 5.00 457 'X-RAY DIFFRACTION' SEMIHARMONIC t_sum_occupancies ? ? ? ? 'X-RAY DIFFRACTION' ? t_utility_distance ? ? ? ? 'X-RAY DIFFRACTION' ? t_utility_angle ? ? ? ? 'X-RAY DIFFRACTION' ? t_utility_torsion ? ? ? ? 'X-RAY DIFFRACTION' ? t_ideal_dist_contact ? ? 4.00 3534 'X-RAY DIFFRACTION' SEMIHARMONIC # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 8 _refine_ls_shell.d_res_high 2.91 _refine_ls_shell.d_res_low 3.11 _refine_ls_shell.number_reflns_R_work 2580 _refine_ls_shell.R_factor_R_work 0.2709 _refine_ls_shell.percent_reflns_obs 99.90 _refine_ls_shell.R_factor_R_free 0.3159 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free 5.74 _refine_ls_shell.number_reflns_R_free 157 _refine_ls_shell.number_reflns_all 2737 _refine_ls_shell.R_factor_all 0.2733 # _struct_ncs_oper.id 1 _struct_ncs_oper.code given _struct_ncs_oper.details ? _struct_ncs_oper.matrix[1][1] -0.395400 _struct_ncs_oper.matrix[1][2] 0.608500 _struct_ncs_oper.matrix[1][3] -0.688000 _struct_ncs_oper.matrix[2][1] 0.568600 _struct_ncs_oper.matrix[2][2] -0.426100 _struct_ncs_oper.matrix[2][3] -0.703600 _struct_ncs_oper.matrix[3][1] -0.721300 _struct_ncs_oper.matrix[3][2] -0.669400 _struct_ncs_oper.matrix[3][3] -0.177600 _struct_ncs_oper.vector[1] 89.49000 _struct_ncs_oper.vector[2] -64.33000 _struct_ncs_oper.vector[3] 23.73000 # _struct.entry_id 4BQ9 _struct.title 'Crystal structure of the FN5 and FN6 domains of NEO1, form 1' _struct.pdbx_descriptor NEOGENIN _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4BQ9 _struct_keywords.pdbx_keywords 'CELL ADHESION' _struct_keywords.text 'CELL ADHESION' # 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 ? # _struct_biol.id 1 # 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 1 GLU A 153 ? TRP A 157 ? GLU A 1032 TRP A 1036 5 ? 5 HELX_P HELX_P2 2 GLU B 153 ? TRP B 157 ? GLU B 1032 TRP B 1036 5 ? 5 # _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 covale1 covale ? ? A ASN 61 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 940 A NAG 2088 1_555 ? ? ? ? ? ? ? 1.430 ? covale2 covale ? ? B ASN 61 ND2 ? ? ? 1_555 D NAG . C1 ? ? B ASN 940 B NAG 2084 1_555 ? ? ? ? ? ? ? 1.430 ? # _struct_conn_type.id covale _struct_conn_type.criteria ? _struct_conn_type.reference ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id ILE _struct_mon_prot_cis.label_seq_id 51 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id ILE _struct_mon_prot_cis.auth_seq_id 930 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 52 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 931 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle 3.87 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA ? 3 ? AB ? 4 ? AC ? 4 ? AD ? 2 ? AE ? 3 ? AF ? 4 ? AG ? 4 ? AH ? 2 ? BA ? 3 ? BB ? 4 ? BC ? 3 ? BD ? 4 ? BE ? 4 ? BF ? 2 ? # 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 AA 1 2 ? anti-parallel AA 2 3 ? anti-parallel AB 1 2 ? anti-parallel AB 2 3 ? anti-parallel AB 3 4 ? anti-parallel AC 1 2 ? anti-parallel AC 2 3 ? anti-parallel AC 3 4 ? anti-parallel AD 1 2 ? anti-parallel AE 1 2 ? anti-parallel AE 2 3 ? anti-parallel AF 1 2 ? anti-parallel AF 2 3 ? anti-parallel AF 3 4 ? anti-parallel AG 1 2 ? anti-parallel AG 2 3 ? anti-parallel AG 3 4 ? anti-parallel AH 1 2 ? anti-parallel BA 1 2 ? anti-parallel BA 2 3 ? anti-parallel BB 1 2 ? anti-parallel BB 2 3 ? anti-parallel BB 3 4 ? anti-parallel BC 1 2 ? anti-parallel BC 2 3 ? anti-parallel BD 1 2 ? anti-parallel BD 2 3 ? anti-parallel BD 3 4 ? anti-parallel BE 1 2 ? anti-parallel BE 2 3 ? anti-parallel BE 3 4 ? anti-parallel BF 1 2 ? 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 AA 1 VAL A 10 ? ILE A 16 ? VAL A 889 ILE A 895 AA 2 ILE A 22 ? ALA A 27 ? ILE A 901 ALA A 906 AA 3 SER A 66 ? VAL A 69 ? SER A 945 VAL A 948 AB 1 LYS A 58 ? ALA A 62 ? LYS A 937 ALA A 941 AB 2 TYR A 42 ? THR A 49 ? TYR A 921 THR A 928 AB 3 LEU A 77 ? LYS A 86 ? LEU A 956 LYS A 965 AB 4 ARG A 89 ? SER A 90 ? ARG A 968 SER A 969 AC 1 LYS A 58 ? ALA A 62 ? LYS A 937 ALA A 941 AC 2 TYR A 42 ? THR A 49 ? TYR A 921 THR A 928 AC 3 LEU A 77 ? LYS A 86 ? LEU A 956 LYS A 965 AC 4 ALA A 97 ? ALA A 100 ? ALA A 976 ALA A 979 AD 1 ARG A 89 ? SER A 90 ? ARG A 968 SER A 969 AD 2 LEU A 77 ? LYS A 86 ? LEU A 956 LYS A 965 AE 1 LYS A 111 ? LYS A 118 ? LYS A 990 LYS A 997 AE 2 LYS A 121 ? GLN A 130 ? LYS A 1000 GLN A 1009 AE 3 THR A 168 ? ILE A 171 ? THR A 1047 ILE A 1050 AF 1 VAL A 158 ? VAL A 163 ? VAL A 1037 VAL A 1042 AF 2 ILE A 139 ? SER A 147 ? ILE A 1018 SER A 1026 AF 3 PRO A 179 ? ASN A 188 ? PRO A 1058 ASN A 1067 AF 4 GLY A 191 ? MET A 195 ? GLY A 1070 MET A 1074 AG 1 VAL A 158 ? VAL A 163 ? VAL A 1037 VAL A 1042 AG 2 ILE A 139 ? SER A 147 ? ILE A 1018 SER A 1026 AG 3 PRO A 179 ? ASN A 188 ? PRO A 1058 ASN A 1067 AG 4 VAL A 199 ? ARG A 202 ? VAL A 1078 ARG A 1081 AH 1 GLY A 191 ? MET A 195 ? GLY A 1070 MET A 1074 AH 2 PRO A 179 ? ASN A 188 ? PRO A 1058 ASN A 1067 BA 1 VAL B 10 ? ILE B 16 ? VAL B 889 ILE B 895 BA 2 ILE B 22 ? ALA B 27 ? ILE B 901 ALA B 906 BA 3 SER B 66 ? VAL B 69 ? SER B 945 VAL B 948 BB 1 LYS B 58 ? ALA B 62 ? LYS B 937 ALA B 941 BB 2 TYR B 42 ? THR B 49 ? TYR B 921 THR B 928 BB 3 LEU B 77 ? THR B 85 ? LEU B 956 THR B 964 BB 4 ALA B 97 ? ALA B 100 ? ALA B 976 ALA B 979 BC 1 LYS B 111 ? LYS B 118 ? LYS B 990 LYS B 997 BC 2 LYS B 121 ? GLN B 130 ? LYS B 1000 GLN B 1009 BC 3 THR B 168 ? ILE B 171 ? THR B 1047 ILE B 1050 BD 1 VAL B 158 ? VAL B 163 ? VAL B 1037 VAL B 1042 BD 2 ILE B 139 ? SER B 147 ? ILE B 1018 SER B 1026 BD 3 PRO B 179 ? ASN B 188 ? PRO B 1058 ASN B 1067 BD 4 GLY B 191 ? MET B 195 ? GLY B 1070 MET B 1074 BE 1 VAL B 158 ? VAL B 163 ? VAL B 1037 VAL B 1042 BE 2 ILE B 139 ? SER B 147 ? ILE B 1018 SER B 1026 BE 3 PRO B 179 ? ASN B 188 ? PRO B 1058 ASN B 1067 BE 4 VAL B 199 ? ARG B 202 ? VAL B 1078 ARG B 1081 BF 1 GLY B 191 ? MET B 195 ? GLY B 1070 MET B 1074 BF 2 PRO B 179 ? ASN B 188 ? PRO B 1058 ASN B 1067 # 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 AA 1 2 N SER A 15 ? N SER A 894 O ARG A 23 ? O ARG A 902 AA 2 3 N ILE A 24 ? N ILE A 903 O TYR A 67 ? O TYR A 946 AB 1 2 N ALA A 62 ? N ALA A 941 O TYR A 43 ? O TYR A 922 AB 2 3 N LYS A 48 ? N LYS A 927 O GLU A 79 ? O GLU A 958 AB 3 4 N LYS A 86 ? N LYS A 965 O ARG A 89 ? O ARG A 968 AC 1 2 N ALA A 62 ? N ALA A 941 O TYR A 43 ? O TYR A 922 AC 2 3 N LYS A 48 ? N LYS A 927 O GLU A 79 ? O GLU A 958 AC 3 4 N PHE A 80 ? N PHE A 959 O ALA A 97 ? O ALA A 976 AD 1 2 N ARG A 89 ? N ARG A 968 O LYS A 86 ? O LYS A 965 AE 1 2 O LYS A 118 ? O LYS A 997 N LYS A 121 ? N LYS A 1000 AE 2 3 N VAL A 127 ? N VAL A 1006 O HIS A 169 ? O HIS A 1048 AF 1 2 N VAL A 162 ? N VAL A 1041 O TYR A 142 ? O TYR A 1021 AF 2 3 N SER A 147 ? N SER A 1026 O TYR A 181 ? O TYR A 1060 AF 3 4 N ASN A 188 ? N ASN A 1067 O GLY A 191 ? O GLY A 1070 AG 1 2 N VAL A 162 ? N VAL A 1041 O TYR A 142 ? O TYR A 1021 AG 2 3 N SER A 147 ? N SER A 1026 O TYR A 181 ? O TYR A 1060 AG 3 4 N PHE A 182 ? N PHE A 1061 O VAL A 199 ? O VAL A 1078 AH 1 2 N GLY A 193 ? N GLY A 1072 O ALA A 186 ? O ALA A 1065 BA 1 2 N SER B 15 ? N SER B 894 O ARG B 23 ? O ARG B 902 BA 2 3 N ILE B 24 ? N ILE B 903 O TYR B 67 ? O TYR B 946 BB 1 2 N ALA B 62 ? N ALA B 941 O TYR B 43 ? O TYR B 922 BB 2 3 N LYS B 48 ? N LYS B 927 O GLU B 79 ? O GLU B 958 BB 3 4 N PHE B 80 ? N PHE B 959 O ALA B 97 ? O ALA B 976 BC 1 2 O LYS B 118 ? O LYS B 997 N LYS B 121 ? N LYS B 1000 BC 2 3 N VAL B 127 ? N VAL B 1006 O HIS B 169 ? O HIS B 1048 BD 1 2 N VAL B 162 ? N VAL B 1041 O TYR B 142 ? O TYR B 1021 BD 2 3 N SER B 147 ? N SER B 1026 O TYR B 181 ? O TYR B 1060 BD 3 4 N ASN B 188 ? N ASN B 1067 O GLY B 191 ? O GLY B 1070 BE 1 2 N VAL B 162 ? N VAL B 1041 O TYR B 142 ? O TYR B 1021 BE 2 3 N SER B 147 ? N SER B 1026 O TYR B 181 ? O TYR B 1060 BE 3 4 N PHE B 182 ? N PHE B 1061 O VAL B 199 ? O VAL B 1078 BF 1 2 N GLY B 193 ? N GLY B 1072 O ALA B 186 ? O ALA B 1065 # 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 ? ? ? ? 3 'Binding site for Mono-Saccharide NAG A2088 bound to ASN A 940' AC2 Software ? ? ? ? 2 'Binding site for Mono-Saccharide NAG B2084 bound to ASN B 940' # 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 3 TYR A 42 ? TYR A 921 . ? 1_555 ? 2 AC1 3 ASN A 59 ? ASN A 938 . ? 1_555 ? 3 AC1 3 ASN A 61 ? ASN A 940 . ? 1_555 ? 4 AC2 2 ASN B 59 ? ASN B 938 . ? 1_555 ? 5 AC2 2 ASN B 61 ? ASN B 940 . ? 1_555 ? # _database_PDB_matrix.entry_id 4BQ9 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4BQ9 _atom_sites.fract_transf_matrix[1][1] 0.009657 _atom_sites.fract_transf_matrix[1][2] 0.005576 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.011151 _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] 0.009027 _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 N O 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 . THR A 1 4 ? 56.600 -29.619 -37.862 1.00 140.71 ? 883 THR A N 1 ATOM 2 C CA . THR A 1 4 ? 58.026 -29.726 -37.555 1.00 138.21 ? 883 THR A CA 1 ATOM 3 C C . THR A 1 4 ? 58.389 -28.821 -36.376 1.00 131.61 ? 883 THR A C 1 ATOM 4 O O . THR A 1 4 ? 58.100 -27.620 -36.425 1.00 126.93 ? 883 THR A O 1 ATOM 5 C CB . THR A 1 4 ? 58.893 -29.581 -38.813 1.00 152.72 ? 883 THR A CB 1 ATOM 6 O OG1 . THR A 1 4 ? 58.657 -28.317 -39.426 1.00 152.32 ? 883 THR A OG1 1 ATOM 7 C CG2 . THR A 1 4 ? 58.621 -30.673 -39.818 1.00 160.66 ? 883 THR A CG2 1 ATOM 8 N N . PRO A 1 5 ? 58.984 -29.388 -35.294 1.00 125.00 ? 884 PRO A N 1 ATOM 9 C CA . PRO A 1 5 ? 59.236 -28.587 -34.066 1.00 116.70 ? 884 PRO A CA 1 ATOM 10 C C . PRO A 1 5 ? 60.388 -27.573 -33.980 1.00 115.92 ? 884 PRO A C 1 ATOM 11 O O . PRO A 1 5 ? 61.553 -27.873 -34.277 1.00 116.82 ? 884 PRO A O 1 ATOM 12 C CB . PRO A 1 5 ? 59.309 -29.637 -32.940 1.00 117.20 ? 884 PRO A CB 1 ATOM 13 C CG . PRO A 1 5 ? 59.108 -30.978 -33.609 1.00 129.62 ? 884 PRO A CG 1 ATOM 14 C CD . PRO A 1 5 ? 59.324 -30.807 -35.080 1.00 130.62 ? 884 PRO A CD 1 ATOM 15 N N . MET A 1 6 ? 60.037 -26.369 -33.468 1.00 107.54 ? 885 MET A N 1 ATOM 16 C CA . MET A 1 6 ? 60.883 -25.189 -33.203 1.00 103.42 ? 885 MET A CA 1 ATOM 17 C C . MET A 1 6 ? 61.628 -25.208 -31.839 1.00 101.05 ? 885 MET A C 1 ATOM 18 O O . MET A 1 6 ? 61.102 -25.705 -30.839 1.00 97.97 ? 885 MET A O 1 ATOM 19 C CB . MET A 1 6 ? 60.012 -23.926 -33.257 1.00 102.76 ? 885 MET A CB 1 ATOM 20 C CG . MET A 1 6 ? 59.317 -23.709 -34.577 1.00 112.22 ? 885 MET A CG 1 ATOM 21 S SD . MET A 1 6 ? 58.823 -21.978 -34.805 1.00 113.88 ? 885 MET A SD 1 ATOM 22 C CE . MET A 1 6 ? 60.402 -21.224 -35.043 1.00 109.69 ? 885 MET A CE 1 ATOM 23 N N . MET A 1 7 ? 62.852 -24.664 -31.805 1.00 96.33 ? 886 MET A N 1 ATOM 24 C CA . MET A 1 7 ? 63.641 -24.559 -30.569 1.00 92.67 ? 886 MET A CA 1 ATOM 25 C C . MET A 1 7 ? 63.100 -23.371 -29.704 1.00 90.42 ? 886 MET A C 1 ATOM 26 O O . MET A 1 7 ? 62.700 -22.332 -30.256 1.00 90.22 ? 886 MET A O 1 ATOM 27 C CB . MET A 1 7 ? 65.164 -24.489 -30.832 1.00 98.22 ? 886 MET A CB 1 ATOM 28 C CG . MET A 1 7 ? 65.587 -23.422 -31.856 1.00 105.36 ? 886 MET A CG 1 ATOM 29 S SD . MET A 1 7 ? 67.368 -23.031 -31.915 1.00 112.87 ? 886 MET A SD 1 ATOM 30 C CE . MET A 1 7 ? 67.936 -24.225 -33.057 1.00 117.81 ? 886 MET A CE 1 ATOM 31 N N . PRO A 1 8 ? 62.970 -23.529 -28.368 1.00 81.22 ? 887 PRO A N 1 ATOM 32 C CA . PRO A 1 8 ? 62.339 -22.461 -27.569 1.00 74.84 ? 887 PRO A CA 1 ATOM 33 C C . PRO A 1 8 ? 63.249 -21.273 -27.294 1.00 72.89 ? 887 PRO A C 1 ATOM 34 O O . PRO A 1 8 ? 64.466 -21.407 -27.456 1.00 75.17 ? 887 PRO A O 1 ATOM 35 C CB . PRO A 1 8 ? 61.954 -23.176 -26.257 1.00 74.41 ? 887 PRO A CB 1 ATOM 36 C CG . PRO A 1 8 ? 62.345 -24.620 -26.424 1.00 82.75 ? 887 PRO A CG 1 ATOM 37 C CD . PRO A 1 8 ? 63.352 -24.670 -27.516 1.00 82.46 ? 887 PRO A CD 1 ATOM 38 N N . PRO A 1 9 ? 62.696 -20.116 -26.841 1.00 61.73 ? 888 PRO A N 1 ATOM 39 C CA . PRO A 1 9 ? 63.569 -18.987 -26.494 1.00 57.75 ? 888 PRO A CA 1 ATOM 40 C C . PRO A 1 9 ? 64.531 -19.320 -25.341 1.00 58.31 ? 888 PRO A C 1 ATOM 41 O O . PRO A 1 9 ? 64.297 -20.226 -24.512 1.00 56.52 ? 888 PRO A O 1 ATOM 42 C CB . PRO A 1 9 ? 62.592 -17.867 -26.149 1.00 56.23 ? 888 PRO A CB 1 ATOM 43 C CG . PRO A 1 9 ? 61.269 -18.298 -26.724 1.00 62.90 ? 888 PRO A CG 1 ATOM 44 C CD . PRO A 1 9 ? 61.278 -19.779 -26.610 1.00 61.02 ? 888 PRO A CD 1 ATOM 45 N N . VAL A 1 10 ? 65.679 -18.644 -25.365 1.00 54.50 ? 889 VAL A N 1 ATOM 46 C CA . VAL A 1 10 ? 66.761 -18.837 -24.397 1.00 53.60 ? 889 VAL A CA 1 ATOM 47 C C . VAL A 1 10 ? 67.083 -17.519 -23.673 1.00 56.18 ? 889 VAL A C 1 ATOM 48 O O . VAL A 1 10 ? 66.530 -16.476 -24.022 1.00 55.76 ? 889 VAL A O 1 ATOM 49 C CB . VAL A 1 10 ? 68.006 -19.506 -25.046 1.00 61.35 ? 889 VAL A CB 1 ATOM 50 C CG1 . VAL A 1 10 ? 67.641 -20.836 -25.697 1.00 63.48 ? 889 VAL A CG1 1 ATOM 51 C CG2 . VAL A 1 10 ? 68.683 -18.585 -26.057 1.00 63.89 ? 889 VAL A CG2 1 ATOM 52 N N . GLY A 1 11 ? 67.928 -17.578 -22.654 1.00 52.01 ? 890 GLY A N 1 ATOM 53 C CA . GLY A 1 11 ? 68.323 -16.398 -21.890 1.00 49.13 ? 890 GLY A CA 1 ATOM 54 C C . GLY A 1 11 ? 67.182 -15.486 -21.520 1.00 49.30 ? 890 GLY A C 1 ATOM 55 O O . GLY A 1 11 ? 67.265 -14.277 -21.743 1.00 49.47 ? 890 GLY A O 1 ATOM 56 N N . VAL A 1 12 ? 66.094 -16.069 -20.980 1.00 44.55 ? 891 VAL A N 1 ATOM 57 C CA . VAL A 1 12 ? 64.912 -15.320 -20.534 1.00 41.13 ? 891 VAL A CA 1 ATOM 58 C C . VAL A 1 12 ? 65.275 -14.584 -19.240 1.00 44.50 ? 891 VAL A C 1 ATOM 59 O O . VAL A 1 12 ? 65.844 -15.207 -18.327 1.00 44.76 ? 891 VAL A O 1 ATOM 60 C CB . VAL A 1 12 ? 63.649 -16.202 -20.367 1.00 43.17 ? 891 VAL A CB 1 ATOM 61 C CG1 . VAL A 1 12 ? 62.416 -15.344 -20.070 1.00 40.55 ? 891 VAL A CG1 1 ATOM 62 C CG2 . VAL A 1 12 ? 63.415 -17.069 -21.603 1.00 45.01 ? 891 VAL A CG2 1 ATOM 63 N N . GLN A 1 13 ? 65.022 -13.239 -19.199 1.00 39.28 ? 892 GLN A N 1 ATOM 64 C CA . GLN A 1 13 ? 65.324 -12.400 -18.033 1.00 37.85 ? 892 GLN A CA 1 ATOM 65 C C . GLN A 1 13 ? 64.216 -11.445 -17.689 1.00 40.66 ? 892 GLN A C 1 ATOM 66 O O . GLN A 1 13 ? 63.515 -10.971 -18.585 1.00 40.55 ? 892 GLN A O 1 ATOM 67 C CB . GLN A 1 13 ? 66.629 -11.608 -18.204 1.00 40.79 ? 892 GLN A CB 1 ATOM 68 C CG . GLN A 1 13 ? 67.875 -12.463 -18.218 1.00 55.52 ? 892 GLN A CG 1 ATOM 69 C CD . GLN A 1 13 ? 69.102 -11.628 -18.232 1.00 59.74 ? 892 GLN A CD 1 ATOM 70 O OE1 . GLN A 1 13 ? 69.632 -11.295 -19.287 1.00 58.68 ? 892 GLN A OE1 1 ATOM 71 N NE2 . GLN A 1 13 ? 69.603 -11.326 -17.057 1.00 51.00 ? 892 GLN A NE2 1 ATOM 72 N N . ALA A 1 14 ? 64.101 -11.113 -16.372 1.00 35.38 ? 893 ALA A N 1 ATOM 73 C CA . ALA A 1 14 ? 63.134 -10.151 -15.852 1.00 32.85 ? 893 ALA A CA 1 ATOM 74 C C . ALA A 1 14 ? 63.861 -8.900 -15.397 1.00 38.92 ? 893 ALA A C 1 ATOM 75 O O . ALA A 1 14 ? 64.919 -9.012 -14.788 1.00 40.84 ? 893 ALA A O 1 ATOM 76 C CB . ALA A 1 14 ? 62.342 -10.748 -14.697 1.00 31.87 ? 893 ALA A CB 1 ATOM 77 N N . SER A 1 15 ? 63.300 -7.717 -15.688 1.00 35.77 ? 894 SER A N 1 ATOM 78 C CA . SER A 1 15 ? 63.832 -6.436 -15.243 1.00 36.95 ? 894 SER A CA 1 ATOM 79 C C . SER A 1 15 ? 62.738 -5.713 -14.453 1.00 41.50 ? 894 SER A C 1 ATOM 80 O O . SER A 1 15 ? 61.682 -5.403 -15.013 1.00 43.42 ? 894 SER A O 1 ATOM 81 C CB . SER A 1 15 ? 64.275 -5.583 -16.423 1.00 42.06 ? 894 SER A CB 1 ATOM 82 O OG . SER A 1 15 ? 64.942 -4.431 -15.935 1.00 52.34 ? 894 SER A OG 1 ATOM 83 N N . ILE A 1 16 ? 62.977 -5.450 -13.155 1.00 34.64 ? 895 ILE A N 1 ATOM 84 C CA . ILE A 1 16 ? 61.964 -4.795 -12.330 1.00 32.00 ? 895 ILE A CA 1 ATOM 85 C C . ILE A 1 16 ? 61.985 -3.309 -12.563 1.00 38.07 ? 895 ILE A C 1 ATOM 86 O O . ILE A 1 16 ? 62.942 -2.623 -12.163 1.00 38.76 ? 895 ILE A O 1 ATOM 87 C CB . ILE A 1 16 ? 61.980 -5.177 -10.812 1.00 33.41 ? 895 ILE A CB 1 ATOM 88 C CG1 . ILE A 1 16 ? 62.364 -6.653 -10.574 1.00 31.02 ? 895 ILE A CG1 1 ATOM 89 C CG2 . ILE A 1 16 ? 60.657 -4.781 -10.117 1.00 32.13 ? 895 ILE A CG2 1 ATOM 90 C CD1 . ILE A 1 16 ? 61.566 -7.684 -11.325 1.00 30.97 ? 895 ILE A CD1 1 ATOM 91 N N . LEU A 1 17 ? 60.920 -2.826 -13.223 1.00 34.84 ? 896 LEU A N 1 ATOM 92 C CA . LEU A 1 17 ? 60.754 -1.422 -13.552 1.00 36.86 ? 896 LEU A CA 1 ATOM 93 C C . LEU A 1 17 ? 60.014 -0.623 -12.481 1.00 43.10 ? 896 LEU A C 1 ATOM 94 O O . LEU A 1 17 ? 60.445 0.491 -12.174 1.00 47.23 ? 896 LEU A O 1 ATOM 95 C CB . LEU A 1 17 ? 60.076 -1.266 -14.921 1.00 37.05 ? 896 LEU A CB 1 ATOM 96 C CG . LEU A 1 17 ? 60.830 -1.820 -16.117 1.00 41.62 ? 896 LEU A CG 1 ATOM 97 C CD1 . LEU A 1 17 ? 59.961 -1.792 -17.371 1.00 43.87 ? 896 LEU A CD1 1 ATOM 98 C CD2 . LEU A 1 17 ? 62.102 -1.087 -16.342 1.00 39.76 ? 896 LEU A CD2 1 ATOM 99 N N . SER A 1 18 ? 58.890 -1.159 -11.947 1.00 37.46 ? 897 SER A N 1 ATOM 100 C CA . SER A 1 18 ? 58.075 -0.495 -10.925 1.00 38.29 ? 897 SER A CA 1 ATOM 101 C C . SER A 1 18 ? 57.353 -1.487 -10.018 1.00 43.59 ? 897 SER A C 1 ATOM 102 O O . SER A 1 18 ? 57.737 -2.648 -9.962 1.00 43.81 ? 897 SER A O 1 ATOM 103 C CB . SER A 1 18 ? 57.085 0.465 -11.572 1.00 40.68 ? 897 SER A CB 1 ATOM 104 O OG . SER A 1 18 ? 56.068 -0.227 -12.269 1.00 47.69 ? 897 SER A OG 1 ATOM 105 N N . HIS A 1 19 ? 56.326 -1.023 -9.284 1.00 41.66 ? 898 HIS A N 1 ATOM 106 C CA . HIS A 1 19 ? 55.519 -1.840 -8.387 1.00 41.87 ? 898 HIS A CA 1 ATOM 107 C C . HIS A 1 19 ? 54.477 -2.610 -9.200 1.00 48.58 ? 898 HIS A C 1 ATOM 108 O O . HIS A 1 19 ? 53.851 -3.519 -8.662 1.00 50.79 ? 898 HIS A O 1 ATOM 109 C CB . HIS A 1 19 ? 54.828 -0.971 -7.333 1.00 46.32 ? 898 HIS A CB 1 ATOM 110 C CG . HIS A 1 19 ? 53.963 0.083 -7.942 1.00 51.76 ? 898 HIS A CG 1 ATOM 111 N ND1 . HIS A 1 19 ? 54.494 1.276 -8.411 1.00 53.89 ? 898 HIS A ND1 1 ATOM 112 C CD2 . HIS A 1 19 ? 52.638 0.062 -8.214 1.00 55.28 ? 898 HIS A CD2 1 ATOM 113 C CE1 . HIS A 1 19 ? 53.472 1.944 -8.921 1.00 54.77 ? 898 HIS A CE1 1 ATOM 114 N NE2 . HIS A 1 19 ? 52.340 1.253 -8.842 1.00 55.82 ? 898 HIS A NE2 1 ATOM 115 N N . ASP A 1 20 ? 54.275 -2.256 -10.484 1.00 45.20 ? 899 ASP A N 1 ATOM 116 C CA . ASP A 1 20 ? 53.290 -2.937 -11.330 1.00 45.46 ? 899 ASP A CA 1 ATOM 117 C C . ASP A 1 20 ? 53.805 -3.421 -12.700 1.00 48.12 ? 899 ASP A C 1 ATOM 118 O O . ASP A 1 20 ? 53.041 -4.047 -13.439 1.00 48.28 ? 899 ASP A O 1 ATOM 119 C CB . ASP A 1 20 ? 52.047 -2.056 -11.496 1.00 50.68 ? 899 ASP A CB 1 ATOM 120 C CG . ASP A 1 20 ? 52.236 -0.765 -12.280 1.00 65.27 ? 899 ASP A CG 1 ATOM 121 O OD1 . ASP A 1 20 ? 53.410 -0.405 -12.582 1.00 66.46 ? 899 ASP A OD1 1 ATOM 122 O OD2 . ASP A 1 20 ? 51.219 -0.100 -12.568 1.00 69.71 ? 899 ASP A OD2 1 ATOM 123 N N . THR A 1 21 ? 55.089 -3.132 -13.034 1.00 42.44 ? 900 THR A N 1 ATOM 124 C CA . THR A 1 21 ? 55.677 -3.464 -14.337 1.00 39.39 ? 900 THR A CA 1 ATOM 125 C C . THR A 1 21 ? 57.020 -4.151 -14.260 1.00 41.67 ? 900 THR A C 1 ATOM 126 O O . THR A 1 21 ? 57.897 -3.743 -13.486 1.00 42.74 ? 900 THR A O 1 ATOM 127 C CB . THR A 1 21 ? 55.747 -2.210 -15.181 1.00 45.42 ? 900 THR A CB 1 ATOM 128 O OG1 . THR A 1 21 ? 54.461 -1.593 -15.154 1.00 55.57 ? 900 THR A OG1 1 ATOM 129 C CG2 . THR A 1 21 ? 56.214 -2.458 -16.614 1.00 38.74 ? 900 THR A CG2 1 ATOM 130 N N . ILE A 1 22 ? 57.178 -5.200 -15.114 1.00 35.45 ? 901 ILE A N 1 ATOM 131 C CA . ILE A 1 22 ? 58.379 -6.030 -15.282 1.00 32.02 ? 901 ILE A CA 1 ATOM 132 C C . ILE A 1 22 ? 58.639 -6.185 -16.768 1.00 38.64 ? 901 ILE A C 1 ATOM 133 O O . ILE A 1 22 ? 57.703 -6.491 -17.512 1.00 40.39 ? 901 ILE A O 1 ATOM 134 C CB . ILE A 1 22 ? 58.295 -7.411 -14.530 1.00 32.32 ? 901 ILE A CB 1 ATOM 135 C CG1 . ILE A 1 22 ? 58.150 -7.227 -12.988 1.00 31.59 ? 901 ILE A CG1 1 ATOM 136 C CG2 . ILE A 1 22 ? 59.502 -8.300 -14.842 1.00 31.18 ? 901 ILE A CG2 1 ATOM 137 C CD1 . ILE A 1 22 ? 57.629 -8.502 -12.200 1.00 39.47 ? 901 ILE A CD1 1 ATOM 138 N N . ARG A 1 23 ? 59.908 -5.948 -17.207 1.00 35.28 ? 902 ARG A N 1 ATOM 139 C CA . ARG A 1 23 ? 60.332 -6.133 -18.594 1.00 34.57 ? 902 ARG A CA 1 ATOM 140 C C . ARG A 1 23 ? 61.035 -7.498 -18.772 1.00 39.90 ? 902 ARG A C 1 ATOM 141 O O . ARG A 1 23 ? 62.068 -7.794 -18.155 1.00 39.77 ? 902 ARG A O 1 ATOM 142 C CB . ARG A 1 23 ? 61.189 -4.962 -19.091 1.00 32.86 ? 902 ARG A CB 1 ATOM 143 C CG . ARG A 1 23 ? 61.400 -4.970 -20.620 1.00 34.98 ? 902 ARG A CG 1 ATOM 144 C CD . ARG A 1 23 ? 62.400 -3.912 -21.018 1.00 28.34 ? 902 ARG A CD 1 ATOM 145 N NE . ARG A 1 23 ? 62.723 -3.917 -22.439 1.00 54.46 ? 902 ARG A NE 1 ATOM 146 C CZ . ARG A 1 23 ? 63.933 -4.177 -22.927 1.00 78.04 ? 902 ARG A CZ 1 ATOM 147 N NH1 . ARG A 1 23 ? 64.933 -4.492 -22.113 1.00 64.96 ? 902 ARG A NH1 1 ATOM 148 N NH2 . ARG A 1 23 ? 64.152 -4.130 -24.234 1.00 73.23 ? 902 ARG A NH2 1 ATOM 149 N N . ILE A 1 24 ? 60.453 -8.321 -19.637 1.00 37.45 ? 903 ILE A N 1 ATOM 150 C CA . ILE A 1 24 ? 60.965 -9.643 -19.994 1.00 35.72 ? 903 ILE A CA 1 ATOM 151 C C . ILE A 1 24 ? 61.709 -9.542 -21.315 1.00 41.59 ? 903 ILE A C 1 ATOM 152 O O . ILE A 1 24 ? 61.248 -8.886 -22.238 1.00 43.40 ? 903 ILE A O 1 ATOM 153 C CB . ILE A 1 24 ? 59.826 -10.691 -20.034 1.00 36.92 ? 903 ILE A CB 1 ATOM 154 C CG1 . ILE A 1 24 ? 58.981 -10.659 -18.748 1.00 34.17 ? 903 ILE A CG1 1 ATOM 155 C CG2 . ILE A 1 24 ? 60.341 -12.116 -20.386 1.00 38.29 ? 903 ILE A CG2 1 ATOM 156 C CD1 . ILE A 1 24 ? 59.752 -10.803 -17.454 1.00 39.17 ? 903 ILE A CD1 1 ATOM 157 N N . THR A 1 25 ? 62.889 -10.132 -21.373 1.00 38.66 ? 904 THR A N 1 ATOM 158 C CA . THR A 1 25 ? 63.760 -10.128 -22.549 1.00 40.33 ? 904 THR A CA 1 ATOM 159 C C . THR A 1 25 ? 64.364 -11.505 -22.698 1.00 44.94 ? 904 THR A C 1 ATOM 160 O O . THR A 1 25 ? 64.695 -12.162 -21.706 1.00 43.04 ? 904 THR A O 1 ATOM 161 C CB . THR A 1 25 ? 64.872 -9.085 -22.405 1.00 43.93 ? 904 THR A CB 1 ATOM 162 O OG1 . THR A 1 25 ? 65.620 -9.318 -21.202 1.00 35.82 ? 904 THR A OG1 1 ATOM 163 C CG2 . THR A 1 25 ? 64.353 -7.670 -22.439 1.00 43.85 ? 904 THR A CG2 1 ATOM 164 N N . TRP A 1 26 ? 64.549 -11.921 -23.936 1.00 44.32 ? 905 TRP A N 1 ATOM 165 C CA . TRP A 1 26 ? 65.082 -13.240 -24.257 1.00 46.26 ? 905 TRP A CA 1 ATOM 166 C C . TRP A 1 26 ? 65.822 -13.236 -25.619 1.00 53.33 ? 905 TRP A C 1 ATOM 167 O O . TRP A 1 26 ? 65.758 -12.262 -26.383 1.00 53.21 ? 905 TRP A O 1 ATOM 168 C CB . TRP A 1 26 ? 63.913 -14.249 -24.289 1.00 44.11 ? 905 TRP A CB 1 ATOM 169 C CG . TRP A 1 26 ? 62.908 -13.914 -25.352 1.00 45.92 ? 905 TRP A CG 1 ATOM 170 C CD1 . TRP A 1 26 ? 62.933 -14.317 -26.655 1.00 52.41 ? 905 TRP A CD1 1 ATOM 171 C CD2 . TRP A 1 26 ? 61.820 -12.990 -25.238 1.00 43.87 ? 905 TRP A CD2 1 ATOM 172 N NE1 . TRP A 1 26 ? 61.888 -13.751 -27.346 1.00 52.79 ? 905 TRP A NE1 1 ATOM 173 C CE2 . TRP A 1 26 ? 61.195 -12.920 -26.505 1.00 50.72 ? 905 TRP A CE2 1 ATOM 174 C CE3 . TRP A 1 26 ? 61.276 -12.251 -24.173 1.00 42.19 ? 905 TRP A CE3 1 ATOM 175 C CZ2 . TRP A 1 26 ? 60.046 -12.155 -26.734 1.00 49.79 ? 905 TRP A CZ2 1 ATOM 176 C CZ3 . TRP A 1 26 ? 60.135 -11.494 -24.398 1.00 43.58 ? 905 TRP A CZ3 1 ATOM 177 C CH2 . TRP A 1 26 ? 59.534 -11.448 -25.666 1.00 47.12 ? 905 TRP A CH2 1 ATOM 178 N N . ALA A 1 27 ? 66.475 -14.357 -25.929 1.00 52.02 ? 906 ALA A N 1 ATOM 179 C CA . ALA A 1 27 ? 67.186 -14.558 -27.187 1.00 56.58 ? 906 ALA A CA 1 ATOM 180 C C . ALA A 1 27 ? 66.531 -15.673 -27.995 1.00 63.12 ? 906 ALA A C 1 ATOM 181 O O . ALA A 1 27 ? 65.750 -16.460 -27.443 1.00 61.26 ? 906 ALA A O 1 ATOM 182 C CB . ALA A 1 27 ? 68.642 -14.902 -26.914 1.00 59.48 ? 906 ALA A CB 1 ATOM 183 N N . ASP A 1 28 ? 66.844 -15.729 -29.298 1.00 63.27 ? 907 ASP A N 1 ATOM 184 C CA . ASP A 1 28 ? 66.374 -16.756 -30.226 1.00 66.27 ? 907 ASP A CA 1 ATOM 185 C C . ASP A 1 28 ? 67.587 -17.306 -30.999 1.00 74.72 ? 907 ASP A C 1 ATOM 186 O O . ASP A 1 28 ? 68.162 -16.620 -31.853 1.00 77.32 ? 907 ASP A O 1 ATOM 187 C CB . ASP A 1 28 ? 65.285 -16.204 -31.166 1.00 69.21 ? 907 ASP A CB 1 ATOM 188 C CG . ASP A 1 28 ? 64.484 -17.263 -31.908 1.00 83.84 ? 907 ASP A CG 1 ATOM 189 O OD1 . ASP A 1 28 ? 64.999 -18.399 -32.078 1.00 87.33 ? 907 ASP A OD1 1 ATOM 190 O OD2 . ASP A 1 28 ? 63.349 -16.955 -32.332 1.00 90.11 ? 907 ASP A OD2 1 ATOM 191 N N . ASN A 1 29 ? 67.989 -18.542 -30.665 1.00 72.93 ? 908 ASN A N 1 ATOM 192 C CA . ASN A 1 29 ? 69.145 -19.200 -31.276 1.00 78.74 ? 908 ASN A CA 1 ATOM 193 C C . ASN A 1 29 ? 68.977 -19.617 -32.740 1.00 90.81 ? 908 ASN A C 1 ATOM 194 O O . ASN A 1 29 ? 69.944 -20.081 -33.343 1.00 96.77 ? 908 ASN A O 1 ATOM 195 C CB . ASN A 1 29 ? 69.678 -20.329 -30.401 1.00 76.64 ? 908 ASN A CB 1 ATOM 196 C CG . ASN A 1 29 ? 70.275 -19.862 -29.095 1.00 91.75 ? 908 ASN A CG 1 ATOM 197 O OD1 . ASN A 1 29 ? 70.614 -18.690 -28.904 1.00 76.80 ? 908 ASN A OD1 1 ATOM 198 N ND2 . ASN A 1 29 ? 70.421 -20.780 -28.160 1.00 88.47 ? 908 ASN A ND2 1 ATOM 199 N N . SER A 1 30 ? 67.769 -19.424 -33.315 1.00 87.79 ? 909 SER A N 1 ATOM 200 C CA . SER A 1 30 ? 67.467 -19.706 -34.718 1.00 94.25 ? 909 SER A CA 1 ATOM 201 C C . SER A 1 30 ? 67.527 -18.411 -35.557 1.00 100.50 ? 909 SER A C 1 ATOM 202 O O . SER A 1 30 ? 67.176 -18.416 -36.748 1.00 105.75 ? 909 SER A O 1 ATOM 203 C CB . SER A 1 30 ? 66.130 -20.433 -34.860 1.00 98.43 ? 909 SER A CB 1 ATOM 204 O OG . SER A 1 30 ? 65.043 -19.698 -34.324 1.00 103.72 ? 909 SER A OG 1 ATOM 205 N N . LEU A 1 31 ? 68.033 -17.316 -34.927 1.00 92.71 ? 910 LEU A N 1 ATOM 206 C CA . LEU A 1 31 ? 68.248 -15.977 -35.504 1.00 93.24 ? 910 LEU A CA 1 ATOM 207 C C . LEU A 1 31 ? 69.741 -15.598 -35.433 1.00 98.66 ? 910 LEU A C 1 ATOM 208 O O . LEU A 1 31 ? 70.389 -15.948 -34.436 1.00 95.65 ? 910 LEU A O 1 ATOM 209 C CB . LEU A 1 31 ? 67.446 -14.909 -34.732 1.00 87.06 ? 910 LEU A CB 1 ATOM 210 C CG . LEU A 1 31 ? 65.931 -14.834 -34.889 1.00 89.69 ? 910 LEU A CG 1 ATOM 211 C CD1 . LEU A 1 31 ? 65.381 -13.721 -34.010 1.00 83.74 ? 910 LEU A CD1 1 ATOM 212 C CD2 . LEU A 1 31 ? 65.519 -14.588 -36.348 1.00 98.47 ? 910 LEU A CD2 1 ATOM 213 N N . PRO A 1 32 ? 70.293 -14.828 -36.417 1.00 100.36 ? 911 PRO A N 1 ATOM 214 C CA . PRO A 1 32 ? 71.720 -14.444 -36.332 1.00 103.79 ? 911 PRO A CA 1 ATOM 215 C C . PRO A 1 32 ? 72.081 -13.625 -35.085 1.00 104.69 ? 911 PRO A C 1 ATOM 216 O O . PRO A 1 32 ? 71.200 -13.000 -34.478 1.00 98.32 ? 911 PRO A O 1 ATOM 217 C CB . PRO A 1 32 ? 71.963 -13.661 -37.623 1.00 111.50 ? 911 PRO A CB 1 ATOM 218 C CG . PRO A 1 32 ? 70.827 -14.013 -38.519 1.00 117.23 ? 911 PRO A CG 1 ATOM 219 C CD . PRO A 1 32 ? 69.667 -14.298 -37.647 1.00 105.43 ? 911 PRO A CD 1 ATOM 220 N N . LYS A 1 33 ? 73.370 -13.658 -34.672 1.00 104.60 ? 912 LYS A N 1 ATOM 221 C CA . LYS A 1 33 ? 73.821 -12.959 -33.460 1.00 100.54 ? 912 LYS A CA 1 ATOM 222 C C . LYS A 1 33 ? 73.177 -11.587 -33.206 1.00 101.67 ? 912 LYS A C 1 ATOM 223 O O . LYS A 1 33 ? 72.827 -11.304 -32.061 1.00 95.40 ? 912 LYS A O 1 ATOM 224 C CB . LYS A 1 33 ? 75.353 -12.985 -33.269 1.00 106.99 ? 912 LYS A CB 1 ATOM 225 C CG . LYS A 1 33 ? 76.189 -12.346 -34.378 1.00 120.74 ? 912 LYS A CG 1 ATOM 226 C CD . LYS A 1 33 ? 77.682 -12.588 -34.146 1.00 133.19 ? 912 LYS A CD 1 ATOM 227 C CE . LYS A 1 33 ? 78.151 -13.926 -34.683 1.00 147.89 ? 912 LYS A CE 1 ATOM 228 N NZ . LYS A 1 33 ? 79.392 -14.391 -34.012 1.00 156.07 ? 912 LYS A NZ 1 ATOM 229 N N . HIS A 1 34 ? 72.917 -10.812 -34.302 1.00 102.66 ? 913 HIS A N 1 ATOM 230 C CA . HIS A 1 34 ? 72.274 -9.486 -34.326 1.00 100.70 ? 913 HIS A CA 1 ATOM 231 C C . HIS A 1 34 ? 70.761 -9.487 -33.968 1.00 100.24 ? 913 HIS A C 1 ATOM 232 O O . HIS A 1 34 ? 70.198 -8.427 -33.653 1.00 97.22 ? 913 HIS A O 1 ATOM 233 C CB . HIS A 1 34 ? 72.541 -8.761 -35.660 1.00 107.65 ? 913 HIS A CB 1 ATOM 234 C CG . HIS A 1 34 ? 72.069 -9.495 -36.876 1.00 115.07 ? 913 HIS A CG 1 ATOM 235 N ND1 . HIS A 1 34 ? 70.736 -9.827 -37.052 1.00 113.91 ? 913 HIS A ND1 1 ATOM 236 C CD2 . HIS A 1 34 ? 72.765 -9.892 -37.963 1.00 123.95 ? 913 HIS A CD2 1 ATOM 237 C CE1 . HIS A 1 34 ? 70.671 -10.434 -38.222 1.00 119.09 ? 913 HIS A CE1 1 ATOM 238 N NE2 . HIS A 1 34 ? 71.865 -10.491 -38.810 1.00 125.70 ? 913 HIS A NE2 1 ATOM 239 N N . GLN A 1 35 ? 70.118 -10.676 -34.048 1.00 95.72 ? 914 GLN A N 1 ATOM 240 C CA . GLN A 1 35 ? 68.727 -10.964 -33.672 1.00 90.67 ? 914 GLN A CA 1 ATOM 241 C C . GLN A 1 35 ? 67.615 -10.266 -34.464 1.00 97.33 ? 914 GLN A C 1 ATOM 242 O O . GLN A 1 35 ? 66.503 -10.109 -33.947 1.00 94.29 ? 914 GLN A O 1 ATOM 243 C CB . GLN A 1 35 ? 68.531 -10.833 -32.145 1.00 84.86 ? 914 GLN A CB 1 ATOM 244 C CG . GLN A 1 35 ? 69.490 -11.696 -31.344 1.00 86.28 ? 914 GLN A CG 1 ATOM 245 C CD . GLN A 1 35 ? 68.897 -13.034 -31.016 1.00 93.45 ? 914 GLN A CD 1 ATOM 246 O OE1 . GLN A 1 35 ? 68.523 -13.283 -29.883 1.00 82.90 ? 914 GLN A OE1 1 ATOM 247 N NE2 . GLN A 1 35 ? 68.814 -13.933 -31.987 1.00 89.62 ? 914 GLN A NE2 1 ATOM 248 N N . LYS A 1 36 ? 67.890 -9.899 -35.723 1.00 99.63 ? 915 LYS A N 1 ATOM 249 C CA . LYS A 1 36 ? 66.919 -9.245 -36.597 1.00 101.63 ? 915 LYS A CA 1 ATOM 250 C C . LYS A 1 36 ? 65.767 -10.198 -36.975 1.00 109.46 ? 915 LYS A C 1 ATOM 251 O O . LYS A 1 36 ? 66.013 -11.246 -37.583 1.00 113.36 ? 915 LYS A O 1 ATOM 252 C CB . LYS A 1 36 ? 67.622 -8.744 -37.870 1.00 109.47 ? 915 LYS A CB 1 ATOM 253 C CG . LYS A 1 36 ? 67.365 -7.285 -38.195 1.00 100.33 ? 915 LYS A CG 1 ATOM 254 C CD . LYS A 1 36 ? 68.156 -6.834 -39.416 1.00 101.34 ? 915 LYS A CD 1 ATOM 255 C CE . LYS A 1 36 ? 67.518 -7.207 -40.736 1.00 95.41 ? 915 LYS A CE 1 ATOM 256 N NZ . LYS A 1 36 ? 68.476 -7.075 -41.864 1.00 89.62 ? 915 LYS A NZ 1 ATOM 257 N N . ILE A 1 37 ? 64.516 -9.831 -36.619 1.00 104.62 ? 916 ILE A N 1 ATOM 258 C CA . ILE A 1 37 ? 63.329 -10.613 -36.986 1.00 106.65 ? 916 ILE A CA 1 ATOM 259 C C . ILE A 1 37 ? 62.953 -10.224 -38.419 1.00 119.13 ? 916 ILE A C 1 ATOM 260 O O . ILE A 1 37 ? 62.481 -9.104 -38.663 1.00 119.60 ? 916 ILE A O 1 ATOM 261 C CB . ILE A 1 37 ? 62.093 -10.441 -36.047 1.00 105.10 ? 916 ILE A CB 1 ATOM 262 C CG1 . ILE A 1 37 ? 62.443 -10.326 -34.536 1.00 99.29 ? 916 ILE A CG1 1 ATOM 263 C CG2 . ILE A 1 37 ? 61.024 -11.509 -36.335 1.00 107.75 ? 916 ILE A CG2 1 ATOM 264 C CD1 . ILE A 1 37 ? 62.443 -8.849 -34.019 1.00 100.87 ? 916 ILE A CD1 1 ATOM 265 N N . THR A 1 38 ? 63.178 -11.135 -39.361 1.00 121.99 ? 917 THR A N 1 ATOM 266 C CA . THR A 1 38 ? 62.822 -10.918 -40.768 1.00 129.55 ? 917 THR A CA 1 ATOM 267 C C . THR A 1 38 ? 61.613 -11.777 -41.162 1.00 137.04 ? 917 THR A C 1 ATOM 268 O O . THR A 1 38 ? 60.960 -11.487 -42.169 1.00 141.89 ? 917 THR A O 1 ATOM 269 C CB . THR A 1 38 ? 64.029 -11.166 -41.690 1.00 142.52 ? 917 THR A CB 1 ATOM 270 O OG1 . THR A 1 38 ? 64.597 -12.438 -41.379 1.00 142.59 ? 917 THR A OG1 1 ATOM 271 C CG2 . THR A 1 38 ? 65.086 -10.079 -41.585 1.00 140.75 ? 917 THR A CG2 1 ATOM 272 N N . ASP A 1 39 ? 61.309 -12.817 -40.346 1.00 130.97 ? 918 ASP A N 1 ATOM 273 C CA . ASP A 1 39 ? 60.240 -13.788 -40.574 1.00 133.14 ? 918 ASP A CA 1 ATOM 274 C C . ASP A 1 39 ? 58.840 -13.303 -40.153 1.00 133.60 ? 918 ASP A C 1 ATOM 275 O O . ASP A 1 39 ? 58.642 -12.123 -39.862 1.00 130.52 ? 918 ASP A O 1 ATOM 276 C CB . ASP A 1 39 ? 60.578 -15.110 -39.859 1.00 132.87 ? 918 ASP A CB 1 ATOM 277 C CG . ASP A 1 39 ? 61.968 -15.659 -40.106 1.00 147.49 ? 918 ASP A CG 1 ATOM 278 O OD1 . ASP A 1 39 ? 62.331 -15.844 -41.288 1.00 157.68 ? 918 ASP A OD1 1 ATOM 279 O OD2 . ASP A 1 39 ? 62.671 -15.950 -39.119 1.00 147.58 ? 918 ASP A OD2 1 ATOM 280 N N . SER A 1 40 ? 57.873 -14.243 -40.142 1.00 130.36 ? 919 SER A N 1 ATOM 281 C CA . SER A 1 40 ? 56.480 -14.049 -39.746 1.00 127.61 ? 919 SER A CA 1 ATOM 282 C C . SER A 1 40 ? 56.299 -14.409 -38.271 1.00 119.88 ? 919 SER A C 1 ATOM 283 O O . SER A 1 40 ? 55.207 -14.209 -37.733 1.00 117.21 ? 919 SER A O 1 ATOM 284 C CB . SER A 1 40 ? 55.574 -14.943 -40.590 1.00 139.10 ? 919 SER A CB 1 ATOM 285 O OG . SER A 1 40 ? 55.772 -16.316 -40.285 1.00 149.75 ? 919 SER A OG 1 ATOM 286 N N . ARG A 1 41 ? 57.371 -14.956 -37.635 1.00 110.30 ? 920 ARG A N 1 ATOM 287 C CA . ARG A 1 41 ? 57.415 -15.423 -36.238 1.00 102.20 ? 920 ARG A CA 1 ATOM 288 C C . ARG A 1 41 ? 56.938 -14.449 -35.160 1.00 97.36 ? 920 ARG A C 1 ATOM 289 O O . ARG A 1 41 ? 57.220 -13.244 -35.234 1.00 95.56 ? 920 ARG A O 1 ATOM 290 C CB . ARG A 1 41 ? 58.773 -16.055 -35.863 1.00 98.67 ? 920 ARG A CB 1 ATOM 291 C CG . ARG A 1 41 ? 59.975 -15.111 -35.814 1.00 100.20 ? 920 ARG A CG 1 ATOM 292 C CD . ARG A 1 41 ? 61.204 -15.817 -35.275 1.00 97.56 ? 920 ARG A CD 1 ATOM 293 N NE . ARG A 1 41 ? 62.052 -16.343 -36.347 1.00 113.53 ? 920 ARG A NE 1 ATOM 294 C CZ . ARG A 1 41 ? 63.055 -17.198 -36.164 1.00 132.43 ? 920 ARG A CZ 1 ATOM 295 N NH1 . ARG A 1 41 ? 63.344 -17.647 -34.949 1.00 112.90 ? 920 ARG A NH1 1 ATOM 296 N NH2 . ARG A 1 41 ? 63.774 -17.615 -37.197 1.00 132.22 ? 920 ARG A NH2 1 ATOM 297 N N . TYR A 1 42 ? 56.208 -14.993 -34.154 1.00 88.04 ? 921 TYR A N 1 ATOM 298 C CA . TYR A 1 42 ? 55.684 -14.256 -33.003 1.00 80.65 ? 921 TYR A CA 1 ATOM 299 C C . TYR A 1 42 ? 55.858 -15.013 -31.694 1.00 76.74 ? 921 TYR A C 1 ATOM 300 O O . TYR A 1 42 ? 55.589 -16.217 -31.606 1.00 77.74 ? 921 TYR A O 1 ATOM 301 C CB . TYR A 1 42 ? 54.230 -13.777 -33.221 1.00 83.74 ? 921 TYR A CB 1 ATOM 302 C CG . TYR A 1 42 ? 53.156 -14.837 -33.057 1.00 87.64 ? 921 TYR A CG 1 ATOM 303 C CD1 . TYR A 1 42 ? 52.761 -15.631 -34.129 1.00 95.29 ? 921 TYR A CD1 1 ATOM 304 C CD2 . TYR A 1 42 ? 52.489 -15.001 -31.846 1.00 85.22 ? 921 TYR A CD2 1 ATOM 305 C CE1 . TYR A 1 42 ? 51.751 -16.583 -33.994 1.00 98.06 ? 921 TYR A CE1 1 ATOM 306 C CE2 . TYR A 1 42 ? 51.485 -15.959 -31.696 1.00 88.83 ? 921 TYR A CE2 1 ATOM 307 C CZ . TYR A 1 42 ? 51.117 -16.748 -32.775 1.00 101.05 ? 921 TYR A CZ 1 ATOM 308 O OH . TYR A 1 42 ? 50.124 -17.692 -32.644 1.00 102.50 ? 921 TYR A OH 1 ATOM 309 N N . TYR A 1 43 ? 56.300 -14.289 -30.669 1.00 67.03 ? 922 TYR A N 1 ATOM 310 C CA . TYR A 1 43 ? 56.508 -14.843 -29.337 1.00 60.60 ? 922 TYR A CA 1 ATOM 311 C C . TYR A 1 43 ? 55.294 -14.648 -28.504 1.00 60.86 ? 922 TYR A C 1 ATOM 312 O O . TYR A 1 43 ? 54.611 -13.630 -28.646 1.00 60.82 ? 922 TYR A O 1 ATOM 313 C CB . TYR A 1 43 ? 57.699 -14.179 -28.648 1.00 57.21 ? 922 TYR A CB 1 ATOM 314 C CG . TYR A 1 43 ? 58.960 -14.256 -29.468 1.00 61.47 ? 922 TYR A CG 1 ATOM 315 C CD1 . TYR A 1 43 ? 59.675 -15.444 -29.570 1.00 64.75 ? 922 TYR A CD1 1 ATOM 316 C CD2 . TYR A 1 43 ? 59.416 -13.155 -30.183 1.00 63.82 ? 922 TYR A CD2 1 ATOM 317 C CE1 . TYR A 1 43 ? 60.826 -15.526 -30.344 1.00 68.37 ? 922 TYR A CE1 1 ATOM 318 C CE2 . TYR A 1 43 ? 60.567 -13.226 -30.960 1.00 67.26 ? 922 TYR A CE2 1 ATOM 319 C CZ . TYR A 1 43 ? 61.265 -14.415 -31.044 1.00 75.02 ? 922 TYR A CZ 1 ATOM 320 O OH . TYR A 1 43 ? 62.408 -14.488 -31.804 1.00 78.56 ? 922 TYR A OH 1 ATOM 321 N N . THR A 1 44 ? 55.020 -15.625 -27.632 1.00 55.32 ? 923 THR A N 1 ATOM 322 C CA . THR A 1 44 ? 53.933 -15.576 -26.668 1.00 53.69 ? 923 THR A CA 1 ATOM 323 C C . THR A 1 44 ? 54.585 -15.653 -25.303 1.00 55.76 ? 923 THR A C 1 ATOM 324 O O . THR A 1 44 ? 55.438 -16.518 -25.089 1.00 56.85 ? 923 THR A O 1 ATOM 325 C CB . THR A 1 44 ? 52.904 -16.675 -26.913 1.00 60.10 ? 923 THR A CB 1 ATOM 326 O OG1 . THR A 1 44 ? 52.430 -16.569 -28.263 1.00 68.00 ? 923 THR A OG1 1 ATOM 327 C CG2 . THR A 1 44 ? 51.738 -16.618 -25.928 1.00 49.12 ? 923 THR A CG2 1 ATOM 328 N N . VAL A 1 45 ? 54.234 -14.702 -24.406 1.00 48.24 ? 924 VAL A N 1 ATOM 329 C CA . VAL A 1 45 ? 54.757 -14.627 -23.046 1.00 43.80 ? 924 VAL A CA 1 ATOM 330 C C . VAL A 1 45 ? 53.622 -14.970 -22.097 1.00 48.12 ? 924 VAL A C 1 ATOM 331 O O . VAL A 1 45 ? 52.532 -14.432 -22.223 1.00 47.35 ? 924 VAL A O 1 ATOM 332 C CB . VAL A 1 45 ? 55.363 -13.233 -22.709 1.00 44.34 ? 924 VAL A CB 1 ATOM 333 C CG1 . VAL A 1 45 ? 55.917 -13.200 -21.287 1.00 40.66 ? 924 VAL A CG1 1 ATOM 334 C CG2 . VAL A 1 45 ? 56.439 -12.822 -23.712 1.00 44.70 ? 924 VAL A CG2 1 ATOM 335 N N . ARG A 1 46 ? 53.884 -15.852 -21.141 1.00 45.92 ? 925 ARG A N 1 ATOM 336 C CA . ARG A 1 46 ? 52.912 -16.206 -20.111 1.00 45.49 ? 925 ARG A CA 1 ATOM 337 C C . ARG A 1 46 ? 53.509 -15.867 -18.753 1.00 45.11 ? 925 ARG A C 1 ATOM 338 O O . ARG A 1 46 ? 54.729 -15.832 -18.607 1.00 42.17 ? 925 ARG A O 1 ATOM 339 C CB . ARG A 1 46 ? 52.508 -17.684 -20.185 1.00 44.24 ? 925 ARG A CB 1 ATOM 340 C CG . ARG A 1 46 ? 53.611 -18.624 -19.774 1.00 42.07 ? 925 ARG A CG 1 ATOM 341 C CD . ARG A 1 46 ? 53.209 -20.050 -19.938 1.00 49.53 ? 925 ARG A CD 1 ATOM 342 N NE . ARG A 1 46 ? 54.307 -20.914 -19.524 1.00 54.93 ? 925 ARG A NE 1 ATOM 343 C CZ . ARG A 1 46 ? 54.268 -22.238 -19.503 1.00 59.98 ? 925 ARG A CZ 1 ATOM 344 N NH1 . ARG A 1 46 ? 53.172 -22.884 -19.894 1.00 42.02 ? 925 ARG A NH1 1 ATOM 345 N NH2 . ARG A 1 46 ? 55.327 -22.928 -19.114 1.00 50.57 ? 925 ARG A NH2 1 ATOM 346 N N . TRP A 1 47 ? 52.649 -15.591 -17.778 1.00 42.10 ? 926 TRP A N 1 ATOM 347 C CA . TRP A 1 47 ? 53.060 -15.255 -16.435 1.00 40.72 ? 926 TRP A CA 1 ATOM 348 C C . TRP A 1 47 ? 51.976 -15.561 -15.424 1.00 48.31 ? 926 TRP A C 1 ATOM 349 O O . TRP A 1 47 ? 50.788 -15.502 -15.730 1.00 50.72 ? 926 TRP A O 1 ATOM 350 C CB . TRP A 1 47 ? 53.528 -13.801 -16.342 1.00 38.24 ? 926 TRP A CB 1 ATOM 351 C CG . TRP A 1 47 ? 52.479 -12.777 -16.636 1.00 41.33 ? 926 TRP A CG 1 ATOM 352 C CD1 . TRP A 1 47 ? 51.686 -12.135 -15.733 1.00 45.56 ? 926 TRP A CD1 1 ATOM 353 C CD2 . TRP A 1 47 ? 52.138 -12.242 -17.920 1.00 43.09 ? 926 TRP A CD2 1 ATOM 354 N NE1 . TRP A 1 47 ? 50.839 -11.264 -16.379 1.00 47.44 ? 926 TRP A NE1 1 ATOM 355 C CE2 . TRP A 1 47 ? 51.100 -11.302 -17.723 1.00 48.61 ? 926 TRP A CE2 1 ATOM 356 C CE3 . TRP A 1 47 ? 52.576 -12.497 -19.231 1.00 45.00 ? 926 TRP A CE3 1 ATOM 357 C CZ2 . TRP A 1 47 ? 50.523 -10.589 -18.778 1.00 48.94 ? 926 TRP A CZ2 1 ATOM 358 C CZ3 . TRP A 1 47 ? 52.019 -11.766 -20.273 1.00 48.00 ? 926 TRP A CZ3 1 ATOM 359 C CH2 . TRP A 1 47 ? 51.001 -10.835 -20.045 1.00 49.59 ? 926 TRP A CH2 1 ATOM 360 N N . LYS A 1 48 ? 52.393 -15.918 -14.226 1.00 45.84 ? 927 LYS A N 1 ATOM 361 C CA . LYS A 1 48 ? 51.509 -16.204 -13.111 1.00 48.81 ? 927 LYS A CA 1 ATOM 362 C C . LYS A 1 48 ? 52.265 -15.880 -11.825 1.00 55.44 ? 927 LYS A C 1 ATOM 363 O O . LYS A 1 48 ? 53.488 -15.754 -11.846 1.00 51.55 ? 927 LYS A O 1 ATOM 364 C CB . LYS A 1 48 ? 50.992 -17.670 -13.147 1.00 53.23 ? 927 LYS A CB 1 ATOM 365 C CG . LYS A 1 48 ? 51.983 -18.769 -12.762 1.00 53.97 ? 927 LYS A CG 1 ATOM 366 C CD . LYS A 1 48 ? 51.253 -20.118 -12.716 1.00 61.81 ? 927 LYS A CD 1 ATOM 367 C CE . LYS A 1 48 ? 52.062 -21.285 -12.186 1.00 58.03 ? 927 LYS A CE 1 ATOM 368 N NZ . LYS A 1 48 ? 51.479 -22.596 -12.614 1.00 49.09 ? 927 LYS A NZ 1 ATOM 369 N N . THR A 1 49 ? 51.543 -15.692 -10.726 1.00 58.50 ? 928 THR A N 1 ATOM 370 C CA . THR A 1 49 ? 52.171 -15.451 -9.438 1.00 59.46 ? 928 THR A CA 1 ATOM 371 C C . THR A 1 49 ? 52.686 -16.815 -8.990 1.00 65.00 ? 928 THR A C 1 ATOM 372 O O . THR A 1 49 ? 51.973 -17.810 -9.143 1.00 65.44 ? 928 THR A O 1 ATOM 373 C CB . THR A 1 49 ? 51.193 -14.774 -8.449 1.00 73.06 ? 928 THR A CB 1 ATOM 374 O OG1 . THR A 1 49 ? 51.734 -14.722 -7.137 1.00 81.55 ? 928 THR A OG1 1 ATOM 375 C CG2 . THR A 1 49 ? 49.817 -15.407 -8.415 1.00 74.87 ? 928 THR A CG2 1 ATOM 376 N N . ASN A 1 50 ? 53.956 -16.860 -8.526 1.00 61.99 ? 929 ASN A N 1 ATOM 377 C CA . ASN A 1 50 ? 54.672 -18.042 -8.048 1.00 63.10 ? 929 ASN A CA 1 ATOM 378 C C . ASN A 1 50 ? 53.822 -18.867 -7.055 1.00 74.77 ? 929 ASN A C 1 ATOM 379 O O . ASN A 1 50 ? 53.715 -20.087 -7.220 1.00 76.87 ? 929 ASN A O 1 ATOM 380 C CB . ASN A 1 50 ? 55.998 -17.597 -7.455 1.00 59.20 ? 929 ASN A CB 1 ATOM 381 C CG . ASN A 1 50 ? 56.908 -18.695 -7.015 1.00 84.32 ? 929 ASN A CG 1 ATOM 382 O OD1 . ASN A 1 50 ? 57.186 -18.837 -5.819 1.00 84.65 ? 929 ASN A OD1 1 ATOM 383 N ND2 . ASN A 1 50 ? 57.426 -19.468 -7.968 1.00 74.93 ? 929 ASN A ND2 1 ATOM 384 N N . ILE A 1 51 ? 53.172 -18.196 -6.075 1.00 75.34 ? 930 ILE A N 1 ATOM 385 C CA . ILE A 1 51 ? 52.261 -18.829 -5.108 1.00 80.39 ? 930 ILE A CA 1 ATOM 386 C C . ILE A 1 51 ? 50.834 -18.233 -5.194 1.00 90.88 ? 930 ILE A C 1 ATOM 387 O O . ILE A 1 51 ? 50.704 -17.004 -5.360 1.00 88.65 ? 930 ILE A O 1 ATOM 388 C CB . ILE A 1 51 ? 52.812 -18.972 -3.654 1.00 85.32 ? 930 ILE A CB 1 ATOM 389 C CG1 . ILE A 1 51 ? 53.410 -17.650 -3.120 1.00 84.47 ? 930 ILE A CG1 1 ATOM 390 C CG2 . ILE A 1 51 ? 53.789 -20.141 -3.546 1.00 85.25 ? 930 ILE A CG2 1 ATOM 391 C CD1 . ILE A 1 51 ? 52.451 -16.815 -2.267 1.00 92.25 ? 930 ILE A CD1 1 ATOM 392 N N . PRO A 1 52 ? 49.755 -19.078 -5.229 1.00 94.81 ? 931 PRO A N 1 ATOM 393 C CA . PRO A 1 52 ? 49.704 -20.560 -5.120 1.00 98.50 ? 931 PRO A CA 1 ATOM 394 C C . PRO A 1 52 ? 50.281 -21.237 -6.363 1.00 103.92 ? 931 PRO A C 1 ATOM 395 O O . PRO A 1 52 ? 50.434 -20.556 -7.379 1.00 102.02 ? 931 PRO A O 1 ATOM 396 C CB . PRO A 1 52 ? 48.190 -20.851 -5.046 1.00 104.55 ? 931 PRO A CB 1 ATOM 397 C CG . PRO A 1 52 ? 47.544 -19.558 -4.672 1.00 109.18 ? 931 PRO A CG 1 ATOM 398 C CD . PRO A 1 52 ? 48.392 -18.527 -5.350 1.00 99.46 ? 931 PRO A CD 1 ATOM 399 N N . ALA A 1 53 ? 50.591 -22.558 -6.312 1.00 102.92 ? 932 ALA A N 1 ATOM 400 C CA . ALA A 1 53 ? 51.119 -23.256 -7.502 1.00 101.52 ? 932 ALA A CA 1 ATOM 401 C C . ALA A 1 53 ? 50.078 -23.276 -8.648 1.00 107.69 ? 932 ALA A C 1 ATOM 402 O O . ALA A 1 53 ? 50.408 -22.918 -9.786 1.00 105.08 ? 932 ALA A O 1 ATOM 403 C CB . ALA A 1 53 ? 51.557 -24.670 -7.151 1.00 104.72 ? 932 ALA A CB 1 ATOM 404 N N . ASN A 1 54 ? 48.806 -23.617 -8.311 1.00 108.50 ? 933 ASN A N 1 ATOM 405 C CA . ASN A 1 54 ? 47.666 -23.673 -9.236 1.00 110.02 ? 933 ASN A CA 1 ATOM 406 C C . ASN A 1 54 ? 46.893 -22.339 -9.299 1.00 110.69 ? 933 ASN A C 1 ATOM 407 O O . ASN A 1 54 ? 45.863 -22.143 -8.629 1.00 114.64 ? 933 ASN A O 1 ATOM 408 C CB . ASN A 1 54 ? 46.742 -24.879 -8.934 1.00 118.14 ? 933 ASN A CB 1 ATOM 409 C CG . ASN A 1 54 ? 45.660 -25.171 -9.967 1.00 148.17 ? 933 ASN A CG 1 ATOM 410 O OD1 . ASN A 1 54 ? 45.553 -24.527 -11.027 1.00 142.85 ? 933 ASN A OD1 1 ATOM 411 N ND2 . ASN A 1 54 ? 44.829 -26.175 -9.679 1.00 143.29 ? 933 ASN A ND2 1 ATOM 412 N N . THR A 1 55 ? 47.457 -21.423 -10.096 1.00 98.79 ? 934 THR A N 1 ATOM 413 C CA . THR A 1 55 ? 46.976 -20.092 -10.470 1.00 95.65 ? 934 THR A CA 1 ATOM 414 C C . THR A 1 55 ? 46.959 -20.155 -12.004 1.00 95.57 ? 934 THR A C 1 ATOM 415 O O . THR A 1 55 ? 47.737 -20.932 -12.582 1.00 94.81 ? 934 THR A O 1 ATOM 416 C CB . THR A 1 55 ? 47.964 -18.977 -10.019 1.00 95.25 ? 934 THR A CB 1 ATOM 417 O OG1 . THR A 1 55 ? 48.584 -19.306 -8.783 1.00 98.52 ? 934 THR A OG1 1 ATOM 418 C CG2 . THR A 1 55 ? 47.305 -17.628 -9.900 1.00 90.27 ? 934 THR A CG2 1 ATOM 419 N N . LYS A 1 56 ? 46.093 -19.358 -12.674 1.00 88.60 ? 935 LYS A N 1 ATOM 420 C CA . LYS A 1 56 ? 46.060 -19.384 -14.143 1.00 85.42 ? 935 LYS A CA 1 ATOM 421 C C . LYS A 1 56 ? 47.095 -18.438 -14.761 1.00 79.86 ? 935 LYS A C 1 ATOM 422 O O . LYS A 1 56 ? 47.285 -17.310 -14.282 1.00 78.21 ? 935 LYS A O 1 ATOM 423 C CB . LYS A 1 56 ? 44.663 -19.054 -14.718 1.00 90.47 ? 935 LYS A CB 1 ATOM 424 C CG . LYS A 1 56 ? 43.473 -19.858 -14.245 1.00 100.17 ? 935 LYS A CG 1 ATOM 425 C CD . LYS A 1 56 ? 43.121 -21.086 -15.123 1.00 107.76 ? 935 LYS A CD 1 ATOM 426 C CE . LYS A 1 56 ? 43.578 -22.372 -14.467 1.00 100.88 ? 935 LYS A CE 1 ATOM 427 N NZ . LYS A 1 56 ? 43.299 -23.570 -15.301 1.00 94.24 ? 935 LYS A NZ 1 ATOM 428 N N . TYR A 1 57 ? 47.738 -18.893 -15.844 1.00 70.49 ? 936 TYR A N 1 ATOM 429 C CA . TYR A 1 57 ? 48.710 -18.108 -16.597 1.00 65.13 ? 936 TYR A CA 1 ATOM 430 C C . TYR A 1 57 ? 47.987 -17.041 -17.399 1.00 67.81 ? 936 TYR A C 1 ATOM 431 O O . TYR A 1 57 ? 47.009 -17.349 -18.095 1.00 72.58 ? 936 TYR A O 1 ATOM 432 C CB . TYR A 1 57 ? 49.492 -18.995 -17.594 1.00 65.10 ? 936 TYR A CB 1 ATOM 433 C CG . TYR A 1 57 ? 50.644 -19.782 -17.013 1.00 63.42 ? 936 TYR A CG 1 ATOM 434 C CD1 . TYR A 1 57 ? 51.854 -19.163 -16.709 1.00 61.90 ? 936 TYR A CD1 1 ATOM 435 C CD2 . TYR A 1 57 ? 50.547 -21.160 -16.824 1.00 65.73 ? 936 TYR A CD2 1 ATOM 436 C CE1 . TYR A 1 57 ? 52.932 -19.892 -16.203 1.00 63.20 ? 936 TYR A CE1 1 ATOM 437 C CE2 . TYR A 1 57 ? 51.615 -21.899 -16.311 1.00 65.17 ? 936 TYR A CE2 1 ATOM 438 C CZ . TYR A 1 57 ? 52.807 -21.263 -16.004 1.00 69.18 ? 936 TYR A CZ 1 ATOM 439 O OH . TYR A 1 57 ? 53.863 -21.984 -15.502 1.00 64.03 ? 936 TYR A OH 1 ATOM 440 N N . LYS A 1 58 ? 48.460 -15.800 -17.309 1.00 57.36 ? 937 LYS A N 1 ATOM 441 C CA . LYS A 1 58 ? 47.949 -14.711 -18.130 1.00 56.55 ? 937 LYS A CA 1 ATOM 442 C C . LYS A 1 58 ? 48.952 -14.720 -19.286 1.00 59.23 ? 937 LYS A C 1 ATOM 443 O O . LYS A 1 58 ? 50.061 -15.231 -19.096 1.00 56.70 ? 937 LYS A O 1 ATOM 444 C CB . LYS A 1 58 ? 47.989 -13.364 -17.369 1.00 56.01 ? 937 LYS A CB 1 ATOM 445 C CG . LYS A 1 58 ? 47.001 -13.261 -16.208 1.00 65.50 ? 937 LYS A CG 1 ATOM 446 C CD . LYS A 1 58 ? 47.250 -12.005 -15.373 1.00 74.30 ? 937 LYS A CD 1 ATOM 447 C CE . LYS A 1 58 ? 46.289 -11.829 -14.215 1.00 78.40 ? 937 LYS A CE 1 ATOM 448 N NZ . LYS A 1 58 ? 46.618 -10.628 -13.394 1.00 82.06 ? 937 LYS A NZ 1 ATOM 449 N N . ASN A 1 59 ? 48.582 -14.231 -20.483 1.00 57.14 ? 938 ASN A N 1 ATOM 450 C CA . ASN A 1 59 ? 49.536 -14.211 -21.598 1.00 55.97 ? 938 ASN A CA 1 ATOM 451 C C . ASN A 1 59 ? 49.368 -13.084 -22.603 1.00 61.04 ? 938 ASN A C 1 ATOM 452 O O . ASN A 1 59 ? 48.374 -12.350 -22.547 1.00 64.08 ? 938 ASN A O 1 ATOM 453 C CB . ASN A 1 59 ? 49.729 -15.570 -22.269 1.00 58.41 ? 938 ASN A CB 1 ATOM 454 C CG . ASN A 1 59 ? 48.472 -16.200 -22.757 1.00 77.82 ? 938 ASN A CG 1 ATOM 455 O OD1 . ASN A 1 59 ? 47.759 -15.644 -23.622 1.00 67.65 ? 938 ASN A OD1 1 ATOM 456 N ND2 . ASN A 1 59 ? 48.208 -17.400 -22.222 1.00 67.20 ? 938 ASN A ND2 1 ATOM 457 N N . ALA A 1 60 ? 50.378 -12.913 -23.487 1.00 54.18 ? 939 ALA A N 1 ATOM 458 C CA . ALA A 1 60 ? 50.438 -11.849 -24.476 1.00 54.15 ? 939 ALA A CA 1 ATOM 459 C C . ALA A 1 60 ? 51.366 -12.208 -25.614 1.00 59.36 ? 939 ALA A C 1 ATOM 460 O O . ALA A 1 60 ? 52.276 -13.010 -25.431 1.00 57.84 ? 939 ALA A O 1 ATOM 461 C CB . ALA A 1 60 ? 50.911 -10.569 -23.822 1.00 51.47 ? 939 ALA A CB 1 ATOM 462 N N . ASN A 1 61 ? 51.148 -11.593 -26.787 1.00 59.08 ? 940 ASN A N 1 ATOM 463 C CA . ASN A 1 61 ? 51.956 -11.791 -27.991 1.00 60.23 ? 940 ASN A CA 1 ATOM 464 C C . ASN A 1 61 ? 52.846 -10.579 -28.319 1.00 60.92 ? 940 ASN A C 1 ATOM 465 O O . ASN A 1 61 ? 52.399 -9.427 -28.176 1.00 58.37 ? 940 ASN A O 1 ATOM 466 C CB . ASN A 1 61 ? 51.062 -12.090 -29.170 1.00 65.66 ? 940 ASN A CB 1 ATOM 467 C CG . ASN A 1 61 ? 50.389 -13.424 -29.124 1.00 98.99 ? 940 ASN A CG 1 ATOM 468 O OD1 . ASN A 1 61 ? 51.042 -14.458 -28.960 1.00 90.40 ? 940 ASN A OD1 1 ATOM 469 N ND2 . ASN A 1 61 ? 49.065 -13.410 -29.294 1.00 106.53 ? 940 ASN A ND2 1 ATOM 470 N N . ALA A 1 62 ? 54.099 -10.854 -28.776 1.00 57.39 ? 941 ALA A N 1 ATOM 471 C CA . ALA A 1 62 ? 55.094 -9.842 -29.162 1.00 56.64 ? 941 ALA A CA 1 ATOM 472 C C . ALA A 1 62 ? 55.850 -10.228 -30.434 1.00 67.38 ? 941 ALA A C 1 ATOM 473 O O . ALA A 1 62 ? 56.177 -11.405 -30.635 1.00 67.71 ? 941 ALA A O 1 ATOM 474 C CB . ALA A 1 62 ? 56.076 -9.593 -28.037 1.00 52.13 ? 941 ALA A CB 1 ATOM 475 N N . THR A 1 63 ? 56.126 -9.219 -31.292 1.00 68.16 ? 942 THR A N 1 ATOM 476 C CA . THR A 1 63 ? 56.857 -9.368 -32.564 1.00 72.40 ? 942 THR A CA 1 ATOM 477 C C . THR A 1 63 ? 58.309 -8.939 -32.331 1.00 72.50 ? 942 THR A C 1 ATOM 478 O O . THR A 1 63 ? 59.122 -8.911 -33.256 1.00 75.68 ? 942 THR A O 1 ATOM 479 C CB . THR A 1 63 ? 56.169 -8.573 -33.715 1.00 89.85 ? 942 THR A CB 1 ATOM 480 O OG1 . THR A 1 63 ? 56.461 -7.174 -33.607 1.00 93.60 ? 942 THR A OG1 1 ATOM 481 C CG2 . THR A 1 63 ? 54.654 -8.793 -33.786 1.00 89.16 ? 942 THR A CG2 1 ATOM 482 N N . THR A 1 64 ? 58.607 -8.599 -31.073 1.00 62.83 ? 943 THR A N 1 ATOM 483 C CA . THR A 1 64 ? 59.912 -8.182 -30.566 1.00 60.23 ? 943 THR A CA 1 ATOM 484 C C . THR A 1 64 ? 60.482 -9.176 -29.498 1.00 60.70 ? 943 THR A C 1 ATOM 485 O O . THR A 1 64 ? 59.727 -9.971 -28.915 1.00 59.89 ? 943 THR A O 1 ATOM 486 C CB . THR A 1 64 ? 59.839 -6.717 -30.115 1.00 60.66 ? 943 THR A CB 1 ATOM 487 O OG1 . THR A 1 64 ? 61.143 -6.320 -29.686 1.00 67.14 ? 943 THR A OG1 1 ATOM 488 C CG2 . THR A 1 64 ? 58.756 -6.457 -29.029 1.00 47.03 ? 943 THR A CG2 1 ATOM 489 N N . LEU A 1 65 ? 61.814 -9.134 -29.273 1.00 53.89 ? 944 LEU A N 1 ATOM 490 C CA . LEU A 1 65 ? 62.541 -9.983 -28.314 1.00 49.46 ? 944 LEU A CA 1 ATOM 491 C C . LEU A 1 65 ? 62.609 -9.355 -26.902 1.00 45.68 ? 944 LEU A C 1 ATOM 492 O O . LEU A 1 65 ? 63.644 -9.374 -26.224 1.00 40.98 ? 944 LEU A O 1 ATOM 493 C CB . LEU A 1 65 ? 63.943 -10.317 -28.861 1.00 52.25 ? 944 LEU A CB 1 ATOM 494 C CG . LEU A 1 65 ? 64.050 -11.526 -29.762 1.00 60.29 ? 944 LEU A CG 1 ATOM 495 C CD1 . LEU A 1 65 ? 63.750 -11.167 -31.188 1.00 65.36 ? 944 LEU A CD1 1 ATOM 496 C CD2 . LEU A 1 65 ? 65.442 -12.086 -29.713 1.00 66.14 ? 944 LEU A CD2 1 ATOM 497 N N . SER A 1 66 ? 61.471 -8.784 -26.486 1.00 43.62 ? 945 SER A N 1 ATOM 498 C CA . SER A 1 66 ? 61.187 -8.147 -25.176 1.00 40.78 ? 945 SER A CA 1 ATOM 499 C C . SER A 1 66 ? 59.673 -7.944 -25.025 1.00 43.92 ? 945 SER A C 1 ATOM 500 O O . SER A 1 66 ? 58.972 -7.839 -26.037 1.00 48.00 ? 945 SER A O 1 ATOM 501 C CB . SER A 1 66 ? 61.881 -6.793 -25.047 1.00 43.42 ? 945 SER A CB 1 ATOM 502 O OG . SER A 1 66 ? 61.475 -5.933 -26.099 1.00 54.45 ? 945 SER A OG 1 ATOM 503 N N . TYR A 1 67 ? 59.173 -7.913 -23.786 1.00 36.05 ? 946 TYR A N 1 ATOM 504 C CA . TYR A 1 67 ? 57.774 -7.632 -23.473 1.00 35.71 ? 946 TYR A CA 1 ATOM 505 C C . TYR A 1 67 ? 57.656 -6.997 -22.101 1.00 38.45 ? 946 TYR A C 1 ATOM 506 O O . TYR A 1 67 ? 58.341 -7.388 -21.154 1.00 37.03 ? 946 TYR A O 1 ATOM 507 C CB . TYR A 1 67 ? 56.831 -8.824 -23.668 1.00 38.83 ? 946 TYR A CB 1 ATOM 508 C CG . TYR A 1 67 ? 55.374 -8.482 -23.417 1.00 42.88 ? 946 TYR A CG 1 ATOM 509 C CD1 . TYR A 1 67 ? 54.594 -7.893 -24.404 1.00 45.59 ? 946 TYR A CD1 1 ATOM 510 C CD2 . TYR A 1 67 ? 54.770 -8.760 -22.185 1.00 45.24 ? 946 TYR A CD2 1 ATOM 511 C CE1 . TYR A 1 67 ? 53.258 -7.558 -24.170 1.00 47.69 ? 946 TYR A CE1 1 ATOM 512 C CE2 . TYR A 1 67 ? 53.433 -8.429 -21.938 1.00 48.56 ? 946 TYR A CE2 1 ATOM 513 C CZ . TYR A 1 67 ? 52.687 -7.805 -22.929 1.00 61.38 ? 946 TYR A CZ 1 ATOM 514 O OH . TYR A 1 67 ? 51.372 -7.459 -22.703 1.00 71.32 ? 946 TYR A OH 1 ATOM 515 N N . LEU A 1 68 ? 56.823 -5.957 -22.031 1.00 36.75 ? 947 LEU A N 1 ATOM 516 C CA . LEU A 1 68 ? 56.553 -5.141 -20.861 1.00 35.84 ? 947 LEU A CA 1 ATOM 517 C C . LEU A 1 68 ? 55.302 -5.660 -20.187 1.00 42.82 ? 947 LEU A C 1 ATOM 518 O O . LEU A 1 68 ? 54.196 -5.389 -20.646 1.00 47.16 ? 947 LEU A O 1 ATOM 519 C CB . LEU A 1 68 ? 56.353 -3.701 -21.338 1.00 37.09 ? 947 LEU A CB 1 ATOM 520 C CG . LEU A 1 68 ? 57.008 -2.601 -20.554 1.00 42.12 ? 947 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 68 ? 58.488 -2.728 -20.577 1.00 42.45 ? 947 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 68 ? 56.679 -1.270 -21.182 1.00 45.68 ? 947 LEU A CD2 1 ATOM 523 N N . VAL A 1 69 ? 55.468 -6.446 -19.133 1.00 37.47 ? 948 VAL A N 1 ATOM 524 C CA . VAL A 1 69 ? 54.333 -7.006 -18.401 1.00 38.11 ? 948 VAL A CA 1 ATOM 525 C C . VAL A 1 69 ? 53.790 -5.943 -17.440 1.00 46.50 ? 948 VAL A C 1 ATOM 526 O O . VAL A 1 69 ? 54.556 -5.431 -16.621 1.00 46.39 ? 948 VAL A O 1 ATOM 527 C CB . VAL A 1 69 ? 54.702 -8.324 -17.678 1.00 38.81 ? 948 VAL A CB 1 ATOM 528 C CG1 . VAL A 1 69 ? 53.481 -8.920 -16.997 1.00 39.56 ? 948 VAL A CG1 1 ATOM 529 C CG2 . VAL A 1 69 ? 55.322 -9.331 -18.654 1.00 37.37 ? 948 VAL A CG2 1 ATOM 530 N N . THR A 1 70 ? 52.491 -5.570 -17.575 1.00 45.34 ? 949 THR A N 1 ATOM 531 C CA . THR A 1 70 ? 51.869 -4.540 -16.712 1.00 46.06 ? 949 THR A CA 1 ATOM 532 C C . THR A 1 70 ? 50.666 -5.065 -15.907 1.00 49.43 ? 949 THR A C 1 ATOM 533 O O . THR A 1 70 ? 50.266 -6.226 -16.069 1.00 50.03 ? 949 THR A O 1 ATOM 534 C CB . THR A 1 70 ? 51.509 -3.298 -17.515 1.00 55.43 ? 949 THR A CB 1 ATOM 535 O OG1 . THR A 1 70 ? 50.663 -3.673 -18.609 1.00 56.90 ? 949 THR A OG1 1 ATOM 536 C CG2 . THR A 1 70 ? 52.724 -2.561 -18.005 1.00 56.09 ? 949 THR A CG2 1 ATOM 537 N N . GLY A 1 71 ? 50.123 -4.213 -15.039 1.00 44.86 ? 950 GLY A N 1 ATOM 538 C CA . GLY A 1 71 ? 48.967 -4.548 -14.213 1.00 47.25 ? 950 GLY A CA 1 ATOM 539 C C . GLY A 1 71 ? 49.206 -5.577 -13.132 1.00 51.34 ? 950 GLY A C 1 ATOM 540 O O . GLY A 1 71 ? 48.263 -6.255 -12.704 1.00 53.85 ? 950 GLY A O 1 ATOM 541 N N . LEU A 1 72 ? 50.477 -5.694 -12.684 1.00 44.51 ? 951 LEU A N 1 ATOM 542 C CA . LEU A 1 72 ? 50.925 -6.634 -11.655 1.00 42.01 ? 951 LEU A CA 1 ATOM 543 C C . LEU A 1 72 ? 50.735 -6.008 -10.269 1.00 48.10 ? 951 LEU A C 1 ATOM 544 O O . LEU A 1 72 ? 50.640 -4.786 -10.154 1.00 50.99 ? 951 LEU A O 1 ATOM 545 C CB . LEU A 1 72 ? 52.395 -7.016 -11.901 1.00 38.03 ? 951 LEU A CB 1 ATOM 546 C CG . LEU A 1 72 ? 52.746 -7.570 -13.310 1.00 38.98 ? 951 LEU A CG 1 ATOM 547 C CD1 . LEU A 1 72 ? 54.230 -7.520 -13.578 1.00 35.04 ? 951 LEU A CD1 1 ATOM 548 C CD2 . LEU A 1 72 ? 52.263 -8.988 -13.487 1.00 40.93 ? 951 LEU A CD2 1 ATOM 549 N N . LYS A 1 73 ? 50.616 -6.838 -9.235 1.00 43.22 ? 952 LYS A N 1 ATOM 550 C CA . LYS A 1 73 ? 50.425 -6.377 -7.865 1.00 45.28 ? 952 LYS A CA 1 ATOM 551 C C . LYS A 1 73 ? 51.751 -5.875 -7.275 1.00 48.55 ? 952 LYS A C 1 ATOM 552 O O . LYS A 1 73 ? 52.796 -6.422 -7.654 1.00 47.36 ? 952 LYS A O 1 ATOM 553 C CB . LYS A 1 73 ? 49.856 -7.513 -6.997 1.00 49.73 ? 952 LYS A CB 1 ATOM 554 C CG . LYS A 1 73 ? 48.336 -7.619 -7.047 1.00 71.36 ? 952 LYS A CG 1 ATOM 555 C CD . LYS A 1 73 ? 47.756 -7.866 -5.640 1.00 82.50 ? 952 LYS A CD 1 ATOM 556 C CE . LYS A 1 73 ? 47.335 -9.287 -5.351 1.00 76.32 ? 952 LYS A CE 1 ATOM 557 N NZ . LYS A 1 73 ? 46.812 -9.436 -3.957 1.00 65.48 ? 952 LYS A NZ 1 ATOM 558 N N . PRO A 1 74 ? 51.766 -4.860 -6.354 1.00 45.18 ? 953 PRO A N 1 ATOM 559 C CA . PRO A 1 74 ? 53.043 -4.462 -5.733 1.00 43.99 ? 953 PRO A CA 1 ATOM 560 C C . PRO A 1 74 ? 53.548 -5.594 -4.830 1.00 48.80 ? 953 PRO A C 1 ATOM 561 O O . PRO A 1 74 ? 52.747 -6.396 -4.341 1.00 50.31 ? 953 PRO A O 1 ATOM 562 C CB . PRO A 1 74 ? 52.684 -3.202 -4.933 1.00 48.56 ? 953 PRO A CB 1 ATOM 563 C CG . PRO A 1 74 ? 51.314 -2.848 -5.336 1.00 54.57 ? 953 PRO A CG 1 ATOM 564 C CD . PRO A 1 74 ? 50.653 -4.102 -5.762 1.00 49.70 ? 953 PRO A CD 1 ATOM 565 N N . ASN A 1 75 ? 54.866 -5.676 -4.631 1.00 42.72 ? 954 ASN A N 1 ATOM 566 C CA . ASN A 1 75 ? 55.490 -6.705 -3.795 1.00 41.50 ? 954 ASN A CA 1 ATOM 567 C C . ASN A 1 75 ? 55.031 -8.135 -4.122 1.00 47.13 ? 954 ASN A C 1 ATOM 568 O O . ASN A 1 75 ? 54.713 -8.906 -3.212 1.00 51.49 ? 954 ASN A O 1 ATOM 569 C CB . ASN A 1 75 ? 55.320 -6.390 -2.333 1.00 36.68 ? 954 ASN A CB 1 ATOM 570 C CG . ASN A 1 75 ? 56.329 -7.102 -1.471 1.00 49.47 ? 954 ASN A CG 1 ATOM 571 O OD1 . ASN A 1 75 ? 57.491 -7.289 -1.860 1.00 51.56 ? 954 ASN A OD1 1 ATOM 572 N ND2 . ASN A 1 75 ? 55.909 -7.491 -0.278 1.00 30.77 ? 954 ASN A ND2 1 ATOM 573 N N . THR A 1 76 ? 54.978 -8.490 -5.423 1.00 40.62 ? 955 THR A N 1 ATOM 574 C CA . THR A 1 76 ? 54.515 -9.817 -5.817 1.00 39.15 ? 955 THR A CA 1 ATOM 575 C C . THR A 1 76 ? 55.498 -10.500 -6.713 1.00 41.36 ? 955 THR A C 1 ATOM 576 O O . THR A 1 76 ? 55.955 -9.903 -7.667 1.00 41.95 ? 955 THR A O 1 ATOM 577 C CB . THR A 1 76 ? 53.084 -9.730 -6.379 1.00 42.13 ? 955 THR A CB 1 ATOM 578 O OG1 . THR A 1 76 ? 52.217 -9.206 -5.355 1.00 43.84 ? 955 THR A OG1 1 ATOM 579 C CG2 . THR A 1 76 ? 52.554 -11.091 -6.903 1.00 30.83 ? 955 THR A CG2 1 ATOM 580 N N . LEU A 1 77 ? 55.816 -11.758 -6.410 1.00 37.66 ? 956 LEU A N 1 ATOM 581 C CA . LEU A 1 77 ? 56.729 -12.600 -7.185 1.00 34.55 ? 956 LEU A CA 1 ATOM 582 C C . LEU A 1 77 ? 55.955 -13.365 -8.262 1.00 39.46 ? 956 LEU A C 1 ATOM 583 O O . LEU A 1 77 ? 54.952 -14.052 -7.969 1.00 40.18 ? 956 LEU A O 1 ATOM 584 C CB . LEU A 1 77 ? 57.518 -13.574 -6.281 1.00 34.92 ? 956 LEU A CB 1 ATOM 585 C CG . LEU A 1 77 ? 58.496 -14.527 -6.950 1.00 37.10 ? 956 LEU A CG 1 ATOM 586 C CD1 . LEU A 1 77 ? 59.696 -13.799 -7.494 1.00 36.45 ? 956 LEU A CD1 1 ATOM 587 C CD2 . LEU A 1 77 ? 58.941 -15.585 -6.010 1.00 40.78 ? 956 LEU A CD2 1 ATOM 588 N N . TYR A 1 78 ? 56.471 -13.248 -9.506 1.00 32.66 ? 957 TYR A N 1 ATOM 589 C CA . TYR A 1 78 ? 55.921 -13.849 -10.699 1.00 32.04 ? 957 TYR A CA 1 ATOM 590 C C . TYR A 1 78 ? 56.910 -14.762 -11.401 1.00 37.68 ? 957 TYR A C 1 ATOM 591 O O . TYR A 1 78 ? 58.107 -14.572 -11.299 1.00 38.92 ? 957 TYR A O 1 ATOM 592 C CB . TYR A 1 78 ? 55.484 -12.734 -11.662 1.00 31.45 ? 957 TYR A CB 1 ATOM 593 C CG . TYR A 1 78 ? 54.326 -11.908 -11.149 1.00 31.82 ? 957 TYR A CG 1 ATOM 594 C CD1 . TYR A 1 78 ? 53.011 -12.272 -11.418 1.00 35.39 ? 957 TYR A CD1 1 ATOM 595 C CD2 . TYR A 1 78 ? 54.544 -10.745 -10.421 1.00 32.07 ? 957 TYR A CD2 1 ATOM 596 C CE1 . TYR A 1 78 ? 51.939 -11.522 -10.931 1.00 38.95 ? 957 TYR A CE1 1 ATOM 597 C CE2 . TYR A 1 78 ? 53.482 -9.949 -9.982 1.00 34.83 ? 957 TYR A CE2 1 ATOM 598 C CZ . TYR A 1 78 ? 52.177 -10.358 -10.210 1.00 43.75 ? 957 TYR A CZ 1 ATOM 599 O OH . TYR A 1 78 ? 51.122 -9.607 -9.737 1.00 43.47 ? 957 TYR A OH 1 ATOM 600 N N . GLU A 1 79 ? 56.380 -15.728 -12.147 1.00 34.80 ? 958 GLU A N 1 ATOM 601 C CA . GLU A 1 79 ? 57.054 -16.699 -12.999 1.00 34.50 ? 958 GLU A CA 1 ATOM 602 C C . GLU A 1 79 ? 56.819 -16.272 -14.460 1.00 38.52 ? 958 GLU A C 1 ATOM 603 O O . GLU A 1 79 ? 55.683 -15.978 -14.816 1.00 39.67 ? 958 GLU A O 1 ATOM 604 C CB . GLU A 1 79 ? 56.360 -18.057 -12.836 1.00 38.24 ? 958 GLU A CB 1 ATOM 605 C CG . GLU A 1 79 ? 56.568 -18.759 -11.512 1.00 57.37 ? 958 GLU A CG 1 ATOM 606 C CD . GLU A 1 79 ? 56.021 -20.174 -11.484 1.00 88.79 ? 958 GLU A CD 1 ATOM 607 O OE1 . GLU A 1 79 ? 55.401 -20.592 -12.490 1.00 68.28 ? 958 GLU A OE1 1 ATOM 608 O OE2 . GLU A 1 79 ? 56.235 -20.875 -10.466 1.00 93.77 ? 958 GLU A OE2 1 ATOM 609 N N . PHE A 1 80 ? 57.840 -16.305 -15.316 1.00 35.19 ? 959 PHE A N 1 ATOM 610 C CA . PHE A 1 80 ? 57.678 -15.959 -16.738 1.00 35.76 ? 959 PHE A CA 1 ATOM 611 C C . PHE A 1 80 ? 58.339 -17.010 -17.675 1.00 47.17 ? 959 PHE A C 1 ATOM 612 O O . PHE A 1 80 ? 59.451 -17.485 -17.406 1.00 48.95 ? 959 PHE A O 1 ATOM 613 C CB . PHE A 1 80 ? 58.256 -14.579 -17.035 1.00 35.23 ? 959 PHE A CB 1 ATOM 614 C CG . PHE A 1 80 ? 57.784 -13.434 -16.165 1.00 35.57 ? 959 PHE A CG 1 ATOM 615 C CD1 . PHE A 1 80 ? 58.417 -13.144 -14.964 1.00 37.86 ? 959 PHE A CD1 1 ATOM 616 C CD2 . PHE A 1 80 ? 56.764 -12.590 -16.591 1.00 37.33 ? 959 PHE A CD2 1 ATOM 617 C CE1 . PHE A 1 80 ? 57.984 -12.084 -14.170 1.00 38.87 ? 959 PHE A CE1 1 ATOM 618 C CE2 . PHE A 1 80 ? 56.346 -11.518 -15.806 1.00 38.96 ? 959 PHE A CE2 1 ATOM 619 C CZ . PHE A 1 80 ? 56.955 -11.275 -14.602 1.00 37.38 ? 959 PHE A CZ 1 ATOM 620 N N . SER A 1 81 ? 57.642 -17.382 -18.765 1.00 45.63 ? 960 SER A N 1 ATOM 621 C CA . SER A 1 81 ? 58.126 -18.317 -19.793 1.00 46.05 ? 960 SER A CA 1 ATOM 622 C C . SER A 1 81 ? 57.699 -17.744 -21.130 1.00 51.73 ? 960 SER A C 1 ATOM 623 O O . SER A 1 81 ? 56.707 -17.009 -21.194 1.00 52.39 ? 960 SER A O 1 ATOM 624 C CB . SER A 1 81 ? 57.529 -19.707 -19.621 1.00 48.32 ? 960 SER A CB 1 ATOM 625 O OG . SER A 1 81 ? 56.998 -19.896 -18.326 1.00 57.47 ? 960 SER A OG 1 ATOM 626 N N . VAL A 1 82 ? 58.470 -18.025 -22.186 1.00 48.48 ? 961 VAL A N 1 ATOM 627 C CA . VAL A 1 82 ? 58.196 -17.548 -23.548 1.00 48.98 ? 961 VAL A CA 1 ATOM 628 C C . VAL A 1 82 ? 58.196 -18.767 -24.510 1.00 55.12 ? 961 VAL A C 1 ATOM 629 O O . VAL A 1 82 ? 58.733 -19.821 -24.185 1.00 53.49 ? 961 VAL A O 1 ATOM 630 C CB . VAL A 1 82 ? 59.204 -16.422 -23.989 1.00 51.51 ? 961 VAL A CB 1 ATOM 631 C CG1 . VAL A 1 82 ? 58.802 -15.770 -25.308 1.00 52.86 ? 961 VAL A CG1 1 ATOM 632 C CG2 . VAL A 1 82 ? 59.362 -15.346 -22.913 1.00 48.15 ? 961 VAL A CG2 1 ATOM 633 N N . MET A 1 83 ? 57.551 -18.624 -25.669 1.00 56.08 ? 962 MET A N 1 ATOM 634 C CA . MET A 1 83 ? 57.499 -19.618 -26.736 1.00 60.27 ? 962 MET A CA 1 ATOM 635 C C . MET A 1 83 ? 57.427 -18.867 -28.068 1.00 68.39 ? 962 MET A C 1 ATOM 636 O O . MET A 1 83 ? 57.039 -17.695 -28.091 1.00 67.58 ? 962 MET A O 1 ATOM 637 C CB . MET A 1 83 ? 56.339 -20.600 -26.552 1.00 64.58 ? 962 MET A CB 1 ATOM 638 C CG . MET A 1 83 ? 54.978 -19.957 -26.663 1.00 69.20 ? 962 MET A CG 1 ATOM 639 S SD . MET A 1 83 ? 53.653 -21.115 -27.086 1.00 78.92 ? 962 MET A SD 1 ATOM 640 C CE . MET A 1 83 ? 54.061 -21.465 -28.761 1.00 81.19 ? 962 MET A CE 1 ATOM 641 N N . VAL A 1 84 ? 57.839 -19.516 -29.161 1.00 68.89 ? 963 VAL A N 1 ATOM 642 C CA . VAL A 1 84 ? 57.834 -18.920 -30.501 1.00 70.83 ? 963 VAL A CA 1 ATOM 643 C C . VAL A 1 84 ? 56.860 -19.679 -31.403 1.00 78.86 ? 963 VAL A C 1 ATOM 644 O O . VAL A 1 84 ? 56.587 -20.852 -31.146 1.00 80.13 ? 963 VAL A O 1 ATOM 645 C CB . VAL A 1 84 ? 59.271 -18.859 -31.079 1.00 75.15 ? 963 VAL A CB 1 ATOM 646 C CG1 . VAL A 1 84 ? 59.869 -20.259 -31.307 1.00 77.74 ? 963 VAL A CG1 1 ATOM 647 C CG2 . VAL A 1 84 ? 59.327 -18.001 -32.340 1.00 78.10 ? 963 VAL A CG2 1 ATOM 648 N N . THR A 1 85 ? 56.294 -18.988 -32.409 1.00 77.73 ? 964 THR A N 1 ATOM 649 C CA . THR A 1 85 ? 55.396 -19.556 -33.417 1.00 83.25 ? 964 THR A CA 1 ATOM 650 C C . THR A 1 85 ? 55.697 -18.867 -34.740 1.00 91.32 ? 964 THR A C 1 ATOM 651 O O . THR A 1 85 ? 55.501 -17.657 -34.846 1.00 90.44 ? 964 THR A O 1 ATOM 652 C CB . THR A 1 85 ? 53.896 -19.465 -33.008 1.00 88.53 ? 964 THR A CB 1 ATOM 653 O OG1 . THR A 1 85 ? 53.670 -20.228 -31.833 1.00 86.62 ? 964 THR A OG1 1 ATOM 654 C CG2 . THR A 1 85 ? 52.966 -19.999 -34.073 1.00 91.81 ? 964 THR A CG2 1 ATOM 655 N N . LYS A 1 86 ? 56.239 -19.609 -35.722 1.00 92.53 ? 965 LYS A N 1 ATOM 656 C CA . LYS A 1 86 ? 56.519 -19.083 -37.069 1.00 97.51 ? 965 LYS A CA 1 ATOM 657 C C . LYS A 1 86 ? 55.617 -19.833 -38.033 1.00 109.70 ? 965 LYS A C 1 ATOM 658 O O . LYS A 1 86 ? 55.974 -20.920 -38.493 1.00 113.49 ? 965 LYS A O 1 ATOM 659 C CB . LYS A 1 86 ? 58.005 -19.241 -37.450 1.00 100.10 ? 965 LYS A CB 1 ATOM 660 C CG . LYS A 1 86 ? 58.386 -18.522 -38.746 1.00 103.42 ? 965 LYS A CG 1 ATOM 661 C CD . LYS A 1 86 ? 59.896 -18.412 -38.903 1.00 105.91 ? 965 LYS A CD 1 ATOM 662 C CE . LYS A 1 86 ? 60.562 -19.604 -39.558 1.00 108.79 ? 965 LYS A CE 1 ATOM 663 N NZ . LYS A 1 86 ? 60.424 -19.584 -41.029 1.00 112.39 ? 965 LYS A NZ 1 ATOM 664 N N . GLY A 1 87 ? 54.429 -19.282 -38.270 1.00 109.22 ? 966 GLY A N 1 ATOM 665 C CA . GLY A 1 87 ? 53.416 -19.909 -39.122 1.00 116.70 ? 966 GLY A CA 1 ATOM 666 C C . GLY A 1 87 ? 52.764 -21.091 -38.424 1.00 120.21 ? 966 GLY A C 1 ATOM 667 O O . GLY A 1 87 ? 52.391 -20.990 -37.249 1.00 114.30 ? 966 GLY A O 1 ATOM 668 N N . ARG A 1 88 ? 52.669 -22.242 -39.115 1.00 123.07 ? 967 ARG A N 1 ATOM 669 C CA . ARG A 1 88 ? 52.093 -23.464 -38.530 1.00 123.31 ? 967 ARG A CA 1 ATOM 670 C C . ARG A 1 88 ? 53.052 -24.174 -37.532 1.00 122.80 ? 967 ARG A C 1 ATOM 671 O O . ARG A 1 88 ? 52.654 -25.131 -36.857 1.00 122.42 ? 967 ARG A O 1 ATOM 672 C CB . ARG A 1 88 ? 51.563 -24.408 -39.621 1.00 129.48 ? 967 ARG A CB 1 ATOM 673 C CG . ARG A 1 88 ? 50.219 -23.964 -40.195 1.00 133.90 ? 967 ARG A CG 1 ATOM 674 C CD . ARG A 1 88 ? 49.726 -24.890 -41.289 1.00 143.90 ? 967 ARG A CD 1 ATOM 675 N NE . ARG A 1 88 ? 50.472 -24.706 -42.535 1.00 156.45 ? 967 ARG A NE 1 ATOM 676 C CZ . ARG A 1 88 ? 50.772 -25.685 -43.383 1.00 176.51 ? 967 ARG A CZ 1 ATOM 677 N NH1 . ARG A 1 88 ? 50.394 -26.932 -43.130 1.00 175.04 ? 967 ARG A NH1 1 ATOM 678 N NH2 . ARG A 1 88 ? 51.456 -25.425 -44.490 1.00 166.69 ? 967 ARG A NH2 1 ATOM 679 N N . ARG A 1 89 ? 54.293 -23.660 -37.415 1.00 115.60 ? 968 ARG A N 1 ATOM 680 C CA . ARG A 1 89 ? 55.336 -24.166 -36.524 1.00 111.21 ? 968 ARG A CA 1 ATOM 681 C C . ARG A 1 89 ? 55.324 -23.411 -35.188 1.00 108.42 ? 968 ARG A C 1 ATOM 682 O O . ARG A 1 89 ? 55.142 -22.192 -35.176 1.00 105.15 ? 968 ARG A O 1 ATOM 683 C CB . ARG A 1 89 ? 56.715 -23.991 -37.177 1.00 111.18 ? 968 ARG A CB 1 ATOM 684 C CG . ARG A 1 89 ? 57.031 -24.968 -38.304 1.00 120.14 ? 968 ARG A CG 1 ATOM 685 C CD . ARG A 1 89 ? 58.494 -24.895 -38.704 1.00 119.62 ? 968 ARG A CD 1 ATOM 686 N NE . ARG A 1 89 ? 59.361 -25.490 -37.684 1.00 126.95 ? 968 ARG A NE 1 ATOM 687 C CZ . ARG A 1 89 ? 60.681 -25.338 -37.633 1.00 139.80 ? 968 ARG A CZ 1 ATOM 688 N NH1 . ARG A 1 89 ? 61.309 -24.613 -38.552 1.00 124.04 ? 968 ARG A NH1 1 ATOM 689 N NH2 . ARG A 1 89 ? 61.384 -25.910 -36.662 1.00 124.73 ? 968 ARG A NH2 1 ATOM 690 N N . SER A 1 90 ? 55.558 -24.137 -34.069 1.00 101.65 ? 969 SER A N 1 ATOM 691 C CA . SER A 1 90 ? 55.631 -23.585 -32.707 1.00 93.50 ? 969 SER A CA 1 ATOM 692 C C . SER A 1 90 ? 56.670 -24.322 -31.845 1.00 92.11 ? 969 SER A C 1 ATOM 693 O O . SER A 1 90 ? 57.267 -25.287 -32.316 1.00 96.05 ? 969 SER A O 1 ATOM 694 C CB . SER A 1 90 ? 54.257 -23.575 -32.038 1.00 96.80 ? 969 SER A CB 1 ATOM 695 O OG . SER A 1 90 ? 53.624 -24.843 -32.099 1.00 111.09 ? 969 SER A OG 1 ATOM 696 N N . SER A 1 91 ? 56.899 -23.859 -30.602 1.00 80.54 ? 970 SER A N 1 ATOM 697 C CA . SER A 1 91 ? 57.884 -24.444 -29.679 1.00 76.86 ? 970 SER A CA 1 ATOM 698 C C . SER A 1 91 ? 57.347 -24.562 -28.266 1.00 77.45 ? 970 SER A C 1 ATOM 699 O O . SER A 1 91 ? 56.392 -23.858 -27.926 1.00 76.01 ? 970 SER A O 1 ATOM 700 C CB . SER A 1 91 ? 59.160 -23.597 -29.660 1.00 74.99 ? 970 SER A CB 1 ATOM 701 O OG . SER A 1 91 ? 59.147 -22.426 -28.856 1.00 66.23 ? 970 SER A OG 1 ATOM 702 N N . THR A 1 92 ? 57.982 -25.418 -27.423 1.00 72.49 ? 971 THR A N 1 ATOM 703 C CA . THR A 1 92 ? 57.605 -25.512 -26.012 1.00 68.97 ? 971 THR A CA 1 ATOM 704 C C . THR A 1 92 ? 58.027 -24.229 -25.325 1.00 67.97 ? 971 THR A C 1 ATOM 705 O O . THR A 1 92 ? 58.820 -23.443 -25.859 1.00 66.94 ? 971 THR A O 1 ATOM 706 C CB . THR A 1 92 ? 58.364 -26.577 -25.219 1.00 73.73 ? 971 THR A CB 1 ATOM 707 O OG1 . THR A 1 92 ? 59.390 -27.189 -25.991 1.00 74.95 ? 971 THR A OG1 1 ATOM 708 C CG2 . THR A 1 92 ? 57.443 -27.524 -24.468 1.00 72.67 ? 971 THR A CG2 1 ATOM 709 N N . TRP A 1 93 ? 57.535 -24.065 -24.100 1.00 59.89 ? 972 TRP A N 1 ATOM 710 C CA . TRP A 1 93 ? 57.855 -22.937 -23.280 1.00 53.94 ? 972 TRP A CA 1 ATOM 711 C C . TRP A 1 93 ? 59.292 -23.004 -22.797 1.00 54.88 ? 972 TRP A C 1 ATOM 712 O O . TRP A 1 93 ? 59.807 -24.057 -22.410 1.00 55.95 ? 972 TRP A O 1 ATOM 713 C CB . TRP A 1 93 ? 56.875 -22.851 -22.137 1.00 51.00 ? 972 TRP A CB 1 ATOM 714 C CG . TRP A 1 93 ? 55.487 -22.593 -22.611 1.00 54.21 ? 972 TRP A CG 1 ATOM 715 C CD1 . TRP A 1 93 ? 54.516 -23.517 -22.852 1.00 60.87 ? 972 TRP A CD1 1 ATOM 716 C CD2 . TRP A 1 93 ? 54.919 -21.318 -22.923 1.00 53.31 ? 972 TRP A CD2 1 ATOM 717 N NE1 . TRP A 1 93 ? 53.367 -22.895 -23.277 1.00 62.14 ? 972 TRP A NE1 1 ATOM 718 C CE2 . TRP A 1 93 ? 53.592 -21.541 -23.344 1.00 60.77 ? 972 TRP A CE2 1 ATOM 719 C CE3 . TRP A 1 93 ? 55.401 -19.999 -22.876 1.00 52.27 ? 972 TRP A CE3 1 ATOM 720 C CZ2 . TRP A 1 93 ? 52.732 -20.491 -23.699 1.00 60.27 ? 972 TRP A CZ2 1 ATOM 721 C CZ3 . TRP A 1 93 ? 54.549 -18.963 -23.228 1.00 54.07 ? 972 TRP A CZ3 1 ATOM 722 C CH2 . TRP A 1 93 ? 53.232 -19.213 -23.634 1.00 57.65 ? 972 TRP A CH2 1 ATOM 723 N N . SER A 1 94 ? 59.941 -21.854 -22.879 1.00 48.79 ? 973 SER A N 1 ATOM 724 C CA . SER A 1 94 ? 61.312 -21.587 -22.477 1.00 46.73 ? 973 SER A CA 1 ATOM 725 C C . SER A 1 94 ? 61.515 -21.818 -20.982 1.00 50.00 ? 973 SER A C 1 ATOM 726 O O . SER A 1 94 ? 60.570 -22.071 -20.218 1.00 48.57 ? 973 SER A O 1 ATOM 727 C CB . SER A 1 94 ? 61.619 -20.124 -22.762 1.00 43.88 ? 973 SER A CB 1 ATOM 728 O OG . SER A 1 94 ? 60.975 -19.296 -21.801 1.00 42.70 ? 973 SER A OG 1 ATOM 729 N N . MET A 1 95 ? 62.757 -21.627 -20.561 1.00 47.98 ? 974 MET A N 1 ATOM 730 C CA . MET A 1 95 ? 63.143 -21.651 -19.165 1.00 47.64 ? 974 MET A CA 1 ATOM 731 C C . MET A 1 95 ? 62.279 -20.612 -18.394 1.00 51.71 ? 974 MET A C 1 ATOM 732 O O . MET A 1 95 ? 61.798 -19.626 -18.976 1.00 48.96 ? 974 MET A O 1 ATOM 733 C CB . MET A 1 95 ? 64.631 -21.279 -19.047 1.00 50.53 ? 974 MET A CB 1 ATOM 734 C CG . MET A 1 95 ? 64.971 -19.953 -19.730 1.00 52.90 ? 974 MET A CG 1 ATOM 735 S SD . MET A 1 95 ? 66.350 -19.062 -19.020 1.00 56.34 ? 974 MET A SD 1 ATOM 736 C CE . MET A 1 95 ? 65.697 -18.651 -17.428 1.00 49.74 ? 974 MET A CE 1 ATOM 737 N N . THR A 1 96 ? 62.080 -20.850 -17.095 1.00 51.51 ? 975 THR A N 1 ATOM 738 C CA . THR A 1 96 ? 61.320 -19.920 -16.282 1.00 49.61 ? 975 THR A CA 1 ATOM 739 C C . THR A 1 96 ? 62.216 -18.847 -15.654 1.00 52.12 ? 975 THR A C 1 ATOM 740 O O . THR A 1 96 ? 63.259 -19.133 -15.037 1.00 54.25 ? 975 THR A O 1 ATOM 741 C CB . THR A 1 96 ? 60.354 -20.640 -15.320 1.00 59.57 ? 975 THR A CB 1 ATOM 742 O OG1 . THR A 1 96 ? 61.120 -21.492 -14.471 1.00 69.44 ? 975 THR A OG1 1 ATOM 743 C CG2 . THR A 1 96 ? 59.292 -21.483 -16.053 1.00 58.00 ? 975 THR A CG2 1 ATOM 744 N N . ALA A 1 97 ? 61.800 -17.609 -15.856 1.00 44.96 ? 976 ALA A N 1 ATOM 745 C CA . ALA A 1 97 ? 62.402 -16.412 -15.296 1.00 42.96 ? 976 ALA A CA 1 ATOM 746 C C . ALA A 1 97 ? 61.489 -15.924 -14.184 1.00 43.93 ? 976 ALA A C 1 ATOM 747 O O . ALA A 1 97 ? 60.268 -16.119 -14.247 1.00 43.79 ? 976 ALA A O 1 ATOM 748 C CB . ALA A 1 97 ? 62.527 -15.342 -16.360 1.00 43.11 ? 976 ALA A CB 1 ATOM 749 N N . HIS A 1 98 ? 62.076 -15.330 -13.145 1.00 37.88 ? 977 HIS A N 1 ATOM 750 C CA . HIS A 1 98 ? 61.313 -14.835 -12.007 1.00 35.37 ? 977 HIS A CA 1 ATOM 751 C C . HIS A 1 98 ? 61.635 -13.388 -11.770 1.00 39.24 ? 977 HIS A C 1 ATOM 752 O O . HIS A 1 98 ? 62.795 -12.968 -11.915 1.00 39.26 ? 977 HIS A O 1 ATOM 753 C CB . HIS A 1 98 ? 61.633 -15.626 -10.733 1.00 36.18 ? 977 HIS A CB 1 ATOM 754 C CG . HIS A 1 98 ? 61.278 -17.066 -10.821 1.00 40.31 ? 977 HIS A CG 1 ATOM 755 N ND1 . HIS A 1 98 ? 62.060 -17.967 -11.539 1.00 42.36 ? 977 HIS A ND1 1 ATOM 756 C CD2 . HIS A 1 98 ? 60.254 -17.734 -10.249 1.00 42.16 ? 977 HIS A CD2 1 ATOM 757 C CE1 . HIS A 1 98 ? 61.450 -19.134 -11.413 1.00 42.53 ? 977 HIS A CE1 1 ATOM 758 N NE2 . HIS A 1 98 ? 60.368 -19.047 -10.634 1.00 42.69 ? 977 HIS A NE2 1 ATOM 759 N N . GLY A 1 99 ? 60.609 -12.668 -11.337 1.00 36.22 ? 978 GLY A N 1 ATOM 760 C CA . GLY A 1 99 ? 60.670 -11.265 -10.973 1.00 36.94 ? 978 GLY A CA 1 ATOM 761 C C . GLY A 1 99 ? 59.629 -10.874 -9.943 1.00 42.67 ? 978 GLY A C 1 ATOM 762 O O . GLY A 1 99 ? 58.488 -11.339 -10.005 1.00 44.94 ? 978 GLY A O 1 ATOM 763 N N . ALA A 1 100 ? 60.017 -10.032 -8.975 1.00 37.78 ? 979 ALA A N 1 ATOM 764 C CA . ALA A 1 100 ? 59.101 -9.553 -7.956 1.00 37.13 ? 979 ALA A CA 1 ATOM 765 C C . ALA A 1 100 ? 59.055 -8.023 -7.990 1.00 40.36 ? 979 ALA A C 1 ATOM 766 O O . ALA A 1 100 ? 60.098 -7.364 -7.893 1.00 40.87 ? 979 ALA A O 1 ATOM 767 C CB . ALA A 1 100 ? 59.506 -10.066 -6.590 1.00 39.87 ? 979 ALA A CB 1 ATOM 768 N N . THR A 1 101 ? 57.839 -7.472 -8.224 1.00 35.67 ? 980 THR A N 1 ATOM 769 C CA . THR A 1 101 ? 57.520 -6.038 -8.298 1.00 34.57 ? 980 THR A CA 1 ATOM 770 C C . THR A 1 101 ? 57.890 -5.354 -6.983 1.00 37.21 ? 980 THR A C 1 ATOM 771 O O . THR A 1 101 ? 57.845 -5.975 -5.933 1.00 37.33 ? 980 THR A O 1 ATOM 772 C CB . THR A 1 101 ? 56.016 -5.841 -8.520 1.00 39.17 ? 980 THR A CB 1 ATOM 773 O OG1 . THR A 1 101 ? 55.285 -6.650 -7.592 1.00 44.37 ? 980 THR A OG1 1 ATOM 774 C CG2 . THR A 1 101 ? 55.583 -6.154 -9.913 1.00 29.21 ? 980 THR A CG2 1 ATOM 775 N N . PHE A 1 102 ? 58.258 -4.077 -7.048 1.00 32.96 ? 981 PHE A N 1 ATOM 776 C CA . PHE A 1 102 ? 58.618 -3.288 -5.874 1.00 34.93 ? 981 PHE A CA 1 ATOM 777 C C . PHE A 1 102 ? 57.442 -3.087 -4.909 1.00 45.62 ? 981 PHE A C 1 ATOM 778 O O . PHE A 1 102 ? 56.273 -3.319 -5.264 1.00 45.40 ? 981 PHE A O 1 ATOM 779 C CB . PHE A 1 102 ? 59.145 -1.904 -6.295 1.00 35.39 ? 981 PHE A CB 1 ATOM 780 C CG . PHE A 1 102 ? 60.336 -1.894 -7.231 1.00 32.96 ? 981 PHE A CG 1 ATOM 781 C CD1 . PHE A 1 102 ? 61.358 -2.816 -7.092 1.00 31.58 ? 981 PHE A CD1 1 ATOM 782 C CD2 . PHE A 1 102 ? 60.458 -0.921 -8.217 1.00 35.88 ? 981 PHE A CD2 1 ATOM 783 C CE1 . PHE A 1 102 ? 62.462 -2.792 -7.944 1.00 31.32 ? 981 PHE A CE1 1 ATOM 784 C CE2 . PHE A 1 102 ? 61.561 -0.898 -9.073 1.00 36.78 ? 981 PHE A CE2 1 ATOM 785 C CZ . PHE A 1 102 ? 62.562 -1.829 -8.920 1.00 32.88 ? 981 PHE A CZ 1 ATOM 786 N N . GLU A 1 103 ? 57.766 -2.667 -3.671 1.00 46.44 ? 982 GLU A N 1 ATOM 787 C CA . GLU A 1 103 ? 56.714 -2.345 -2.731 1.00 50.86 ? 982 GLU A CA 1 ATOM 788 C C . GLU A 1 103 ? 56.202 -0.941 -3.171 1.00 57.47 ? 982 GLU A C 1 ATOM 789 O O . GLU A 1 103 ? 56.864 -0.255 -3.964 1.00 57.75 ? 982 GLU A O 1 ATOM 790 C CB . GLU A 1 103 ? 57.217 -2.253 -1.264 1.00 56.31 ? 982 GLU A CB 1 ATOM 791 C CG . GLU A 1 103 ? 57.661 -3.556 -0.651 1.00 63.84 ? 982 GLU A CG 1 ATOM 792 C CD . GLU A 1 103 ? 57.867 -3.579 0.853 1.00 97.90 ? 982 GLU A CD 1 ATOM 793 O OE1 . GLU A 1 103 ? 57.718 -2.534 1.526 1.00 106.10 ? 982 GLU A OE1 1 ATOM 794 O OE2 . GLU A 1 103 ? 58.134 -4.686 1.367 1.00 99.99 ? 982 GLU A OE2 1 ATOM 795 N N . LEU A 1 104 ? 55.015 -0.559 -2.697 1.00 57.98 ? 983 LEU A N 1 ATOM 796 C CA . LEU A 1 104 ? 54.418 0.756 -2.856 1.00 54.79 ? 983 LEU A CA 1 ATOM 797 C C . LEU A 1 104 ? 53.914 1.090 -1.442 1.00 55.92 ? 983 LEU A C 1 ATOM 798 O O . LEU A 1 104 ? 53.670 0.177 -0.645 1.00 56.48 ? 983 LEU A O 1 ATOM 799 C CB . LEU A 1 104 ? 53.252 0.723 -3.856 1.00 54.70 ? 983 LEU A CB 1 ATOM 800 C CG . LEU A 1 104 ? 52.568 2.047 -4.190 1.00 56.85 ? 983 LEU A CG 1 ATOM 801 C CD1 . LEU A 1 104 ? 53.332 2.770 -5.198 1.00 56.40 ? 983 LEU A CD1 1 ATOM 802 C CD2 . LEU A 1 104 ? 51.207 1.823 -4.782 1.00 58.23 ? 983 LEU A CD2 1 ATOM 803 N N . VAL A 1 105 ? 53.771 2.361 -1.118 1.00 49.01 ? 984 VAL A N 1 ATOM 804 C CA . VAL A 1 105 ? 53.227 2.756 0.189 1.00 46.24 ? 984 VAL A CA 1 ATOM 805 C C . VAL A 1 105 ? 51.843 2.124 0.355 1.00 49.80 ? 984 VAL A C 1 ATOM 806 O O . VAL A 1 105 ? 51.200 1.920 -0.674 1.00 49.80 ? 984 VAL A O 1 ATOM 807 C CB . VAL A 1 105 ? 53.119 4.297 0.281 1.00 48.45 ? 984 VAL A CB 1 ATOM 808 C CG1 . VAL A 1 105 ? 54.253 4.874 1.067 1.00 47.85 ? 984 VAL A CG1 1 ATOM 809 C CG2 . VAL A 1 105 ? 53.028 4.938 -1.095 1.00 49.78 ? 984 VAL A CG2 1 ATOM 810 N N . PRO A 1 106 ? 51.318 1.782 1.570 1.00 46.78 ? 985 PRO A N 1 ATOM 811 C CA . PRO A 1 106 ? 49.936 1.266 1.602 1.00 47.02 ? 985 PRO A CA 1 ATOM 812 C C . PRO A 1 106 ? 48.966 2.335 1.064 1.00 51.96 ? 985 PRO A C 1 ATOM 813 O O . PRO A 1 106 ? 49.185 3.538 1.258 1.00 52.23 ? 985 PRO A O 1 ATOM 814 C CB . PRO A 1 106 ? 49.695 0.924 3.083 1.00 47.17 ? 985 PRO A CB 1 ATOM 815 C CG . PRO A 1 106 ? 51.053 0.950 3.731 1.00 50.47 ? 985 PRO A CG 1 ATOM 816 C CD . PRO A 1 106 ? 51.860 1.927 2.945 1.00 46.49 ? 985 PRO A CD 1 ATOM 817 N N . THR A 1 107 ? 47.985 1.909 0.268 1.00 48.74 ? 986 THR A N 1 ATOM 818 C CA . THR A 1 107 ? 47.030 2.821 -0.355 1.00 48.05 ? 986 THR A CA 1 ATOM 819 C C . THR A 1 107 ? 45.581 2.552 0.124 1.00 53.94 ? 986 THR A C 1 ATOM 820 O O . THR A 1 107 ? 44.636 3.053 -0.473 1.00 57.23 ? 986 THR A O 1 ATOM 821 C CB . THR A 1 107 ? 47.216 2.803 -1.889 1.00 46.04 ? 986 THR A CB 1 ATOM 822 O OG1 . THR A 1 107 ? 46.990 1.494 -2.394 1.00 47.94 ? 986 THR A OG1 1 ATOM 823 C CG2 . THR A 1 107 ? 48.602 3.251 -2.343 1.00 40.84 ? 986 THR A CG2 1 ATOM 824 N N . SER A 1 108 ? 45.422 1.779 1.199 1.00 48.92 ? 987 SER A N 1 ATOM 825 C CA . SER A 1 108 ? 44.153 1.387 1.808 1.00 49.66 ? 987 SER A CA 1 ATOM 826 C C . SER A 1 108 ? 44.363 1.448 3.356 1.00 56.12 ? 987 SER A C 1 ATOM 827 O O . SER A 1 108 ? 45.481 1.207 3.836 1.00 54.98 ? 987 SER A O 1 ATOM 828 C CB . SER A 1 108 ? 43.776 -0.021 1.333 1.00 53.98 ? 987 SER A CB 1 ATOM 829 O OG . SER A 1 108 ? 43.056 -0.835 2.245 1.00 61.97 ? 987 SER A OG 1 ATOM 830 N N . PRO A 1 109 ? 43.371 1.864 4.170 1.00 53.55 ? 988 PRO A N 1 ATOM 831 C CA . PRO A 1 109 ? 43.627 1.927 5.619 1.00 51.04 ? 988 PRO A CA 1 ATOM 832 C C . PRO A 1 109 ? 43.446 0.567 6.271 1.00 54.93 ? 988 PRO A C 1 ATOM 833 O O . PRO A 1 109 ? 42.768 -0.301 5.666 1.00 57.15 ? 988 PRO A O 1 ATOM 834 C CB . PRO A 1 109 ? 42.532 2.864 6.120 1.00 53.09 ? 988 PRO A CB 1 ATOM 835 C CG . PRO A 1 109 ? 41.397 2.617 5.198 1.00 60.02 ? 988 PRO A CG 1 ATOM 836 C CD . PRO A 1 109 ? 41.985 2.266 3.846 1.00 56.57 ? 988 PRO A CD 1 ATOM 837 N N . PRO A 1 110 ? 43.936 0.380 7.538 1.00 47.30 ? 989 PRO A N 1 ATOM 838 C CA . PRO A 1 110 ? 43.652 -0.883 8.246 1.00 46.31 ? 989 PRO A CA 1 ATOM 839 C C . PRO A 1 110 ? 42.131 -1.143 8.289 1.00 52.57 ? 989 PRO A C 1 ATOM 840 O O . PRO A 1 110 ? 41.358 -0.186 8.377 1.00 53.53 ? 989 PRO A O 1 ATOM 841 C CB . PRO A 1 110 ? 44.239 -0.641 9.635 1.00 45.48 ? 989 PRO A CB 1 ATOM 842 C CG . PRO A 1 110 ? 45.315 0.367 9.410 1.00 49.45 ? 989 PRO A CG 1 ATOM 843 C CD . PRO A 1 110 ? 44.754 1.285 8.375 1.00 46.22 ? 989 PRO A CD 1 ATOM 844 N N . LYS A 1 111 ? 41.707 -2.412 8.092 1.00 49.09 ? 990 LYS A N 1 ATOM 845 C CA . LYS A 1 111 ? 40.301 -2.815 8.071 1.00 49.29 ? 990 LYS A CA 1 ATOM 846 C C . LYS A 1 111 ? 39.827 -3.254 9.464 1.00 54.71 ? 990 LYS A C 1 ATOM 847 O O . LYS A 1 111 ? 40.633 -3.521 10.351 1.00 53.40 ? 990 LYS A O 1 ATOM 848 C CB . LYS A 1 111 ? 40.098 -3.995 7.100 1.00 52.06 ? 990 LYS A CB 1 ATOM 849 C CG . LYS A 1 111 ? 40.167 -3.666 5.631 1.00 61.24 ? 990 LYS A CG 1 ATOM 850 C CD . LYS A 1 111 ? 40.560 -4.930 4.813 1.00 76.59 ? 990 LYS A CD 1 ATOM 851 C CE . LYS A 1 111 ? 39.448 -5.890 4.408 1.00 87.42 ? 990 LYS A CE 1 ATOM 852 N NZ . LYS A 1 111 ? 38.518 -5.294 3.413 1.00 96.45 ? 990 LYS A NZ 1 ATOM 853 N N . ASP A 1 112 ? 38.507 -3.368 9.615 1.00 54.07 ? 991 ASP A N 1 ATOM 854 C CA . ASP A 1 112 ? 37.780 -3.915 10.751 1.00 54.74 ? 991 ASP A CA 1 ATOM 855 C C . ASP A 1 112 ? 38.348 -3.549 12.112 1.00 56.57 ? 991 ASP A C 1 ATOM 856 O O . ASP A 1 112 ? 38.622 -4.427 12.935 1.00 59.28 ? 991 ASP A O 1 ATOM 857 C CB . ASP A 1 112 ? 37.569 -5.439 10.567 1.00 59.37 ? 991 ASP A CB 1 ATOM 858 C CG . ASP A 1 112 ? 37.207 -5.879 9.125 1.00 77.37 ? 991 ASP A CG 1 ATOM 859 O OD1 . ASP A 1 112 ? 36.267 -5.270 8.520 1.00 76.66 ? 991 ASP A OD1 1 ATOM 860 O OD2 . ASP A 1 112 ? 37.880 -6.815 8.596 1.00 84.21 ? 991 ASP A OD2 1 ATOM 861 N N . VAL A 1 113 ? 38.523 -2.236 12.345 1.00 47.02 ? 992 VAL A N 1 ATOM 862 C CA . VAL A 1 113 ? 39.044 -1.690 13.597 1.00 41.98 ? 992 VAL A CA 1 ATOM 863 C C . VAL A 1 113 ? 37.976 -1.837 14.679 1.00 46.09 ? 992 VAL A C 1 ATOM 864 O O . VAL A 1 113 ? 36.859 -1.330 14.520 1.00 46.19 ? 992 VAL A O 1 ATOM 865 C CB . VAL A 1 113 ? 39.514 -0.214 13.452 1.00 42.54 ? 992 VAL A CB 1 ATOM 866 C CG1 . VAL A 1 113 ? 39.928 0.362 14.789 1.00 40.51 ? 992 VAL A CG1 1 ATOM 867 C CG2 . VAL A 1 113 ? 40.639 -0.075 12.443 1.00 41.48 ? 992 VAL A CG2 1 ATOM 868 N N . THR A 1 114 ? 38.324 -2.536 15.780 1.00 42.43 ? 993 THR A N 1 ATOM 869 C CA . THR A 1 114 ? 37.428 -2.746 16.921 1.00 41.87 ? 993 THR A CA 1 ATOM 870 C C . THR A 1 114 ? 38.126 -2.408 18.247 1.00 43.55 ? 993 THR A C 1 ATOM 871 O O . THR A 1 114 ? 39.360 -2.430 18.337 1.00 42.86 ? 993 THR A O 1 ATOM 872 C CB . THR A 1 114 ? 36.873 -4.176 16.922 1.00 55.51 ? 993 THR A CB 1 ATOM 873 O OG1 . THR A 1 114 ? 37.936 -5.103 17.093 1.00 62.54 ? 993 THR A OG1 1 ATOM 874 C CG2 . THR A 1 114 ? 36.111 -4.513 15.667 1.00 55.88 ? 993 THR A CG2 1 ATOM 875 N N . VAL A 1 115 ? 37.326 -2.064 19.272 1.00 38.95 ? 994 VAL A N 1 ATOM 876 C CA . VAL A 1 115 ? 37.810 -1.745 20.622 1.00 36.46 ? 994 VAL A CA 1 ATOM 877 C C . VAL A 1 115 ? 36.942 -2.479 21.647 1.00 41.77 ? 994 VAL A C 1 ATOM 878 O O . VAL A 1 115 ? 35.712 -2.468 21.547 1.00 43.91 ? 994 VAL A O 1 ATOM 879 C CB . VAL A 1 115 ? 37.848 -0.231 20.929 1.00 38.30 ? 994 VAL A CB 1 ATOM 880 C CG1 . VAL A 1 115 ? 38.581 0.031 22.239 1.00 36.67 ? 994 VAL A CG1 1 ATOM 881 C CG2 . VAL A 1 115 ? 38.476 0.570 19.786 1.00 37.92 ? 994 VAL A CG2 1 ATOM 882 N N . VAL A 1 116 ? 37.573 -3.104 22.637 1.00 36.37 ? 995 VAL A N 1 ATOM 883 C CA . VAL A 1 116 ? 36.863 -3.807 23.711 1.00 35.60 ? 995 VAL A CA 1 ATOM 884 C C . VAL A 1 116 ? 37.522 -3.462 25.036 1.00 38.33 ? 995 VAL A C 1 ATOM 885 O O . VAL A 1 116 ? 38.726 -3.206 25.077 1.00 37.07 ? 995 VAL A O 1 ATOM 886 C CB . VAL A 1 116 ? 36.770 -5.354 23.511 1.00 39.51 ? 995 VAL A CB 1 ATOM 887 C CG1 . VAL A 1 116 ? 35.904 -5.700 22.318 1.00 39.57 ? 995 VAL A CG1 1 ATOM 888 C CG2 . VAL A 1 116 ? 38.151 -5.989 23.372 1.00 39.74 ? 995 VAL A CG2 1 ATOM 889 N N . SER A 1 117 ? 36.749 -3.497 26.122 1.00 34.81 ? 996 SER A N 1 ATOM 890 C CA . SER A 1 117 ? 37.309 -3.250 27.437 1.00 32.25 ? 996 SER A CA 1 ATOM 891 C C . SER A 1 117 ? 38.019 -4.511 27.899 1.00 33.58 ? 996 SER A C 1 ATOM 892 O O . SER A 1 117 ? 37.531 -5.581 27.598 1.00 33.61 ? 996 SER A O 1 ATOM 893 C CB . SER A 1 117 ? 36.232 -2.786 28.414 1.00 32.89 ? 996 SER A CB 1 ATOM 894 O OG . SER A 1 117 ? 36.599 -1.480 28.848 1.00 46.10 ? 996 SER A OG 1 ATOM 895 N N . LYS A 1 118 ? 39.202 -4.404 28.551 1.00 29.74 ? 997 LYS A N 1 ATOM 896 C CA . LYS A 1 118 ? 39.918 -5.589 29.058 1.00 30.73 ? 997 LYS A CA 1 ATOM 897 C C . LYS A 1 118 ? 39.147 -6.184 30.265 1.00 35.82 ? 997 LYS A C 1 ATOM 898 O O . LYS A 1 118 ? 38.670 -5.446 31.126 1.00 35.84 ? 997 LYS A O 1 ATOM 899 C CB . LYS A 1 118 ? 41.395 -5.240 29.426 1.00 32.35 ? 997 LYS A CB 1 ATOM 900 C CG . LYS A 1 118 ? 42.186 -6.285 30.248 1.00 28.41 ? 997 LYS A CG 1 ATOM 901 C CD . LYS A 1 118 ? 42.784 -7.417 29.399 1.00 41.49 ? 997 LYS A CD 1 ATOM 902 C CE . LYS A 1 118 ? 43.597 -8.407 30.224 1.00 42.61 ? 997 LYS A CE 1 ATOM 903 N NZ . LYS A 1 118 ? 43.973 -9.626 29.445 1.00 28.19 ? 997 LYS A NZ 1 ATOM 904 N N . GLU A 1 119 ? 39.003 -7.501 30.283 1.00 33.92 ? 998 GLU A N 1 ATOM 905 C CA . GLU A 1 119 ? 38.375 -8.328 31.319 1.00 35.15 ? 998 GLU A CA 1 ATOM 906 C C . GLU A 1 119 ? 38.761 -7.838 32.729 1.00 39.05 ? 998 GLU A C 1 ATOM 907 O O . GLU A 1 119 ? 39.933 -7.865 33.085 1.00 40.90 ? 998 GLU A O 1 ATOM 908 C CB . GLU A 1 119 ? 38.805 -9.811 31.092 1.00 39.01 ? 998 GLU A CB 1 ATOM 909 C CG . GLU A 1 119 ? 38.409 -10.836 32.151 1.00 64.60 ? 998 GLU A CG 1 ATOM 910 C CD . GLU A 1 119 ? 39.256 -11.012 33.409 1.00 96.56 ? 998 GLU A CD 1 ATOM 911 O OE1 . GLU A 1 119 ? 40.484 -11.234 33.284 1.00 89.33 ? 998 GLU A OE1 1 ATOM 912 O OE2 . GLU A 1 119 ? 38.678 -10.938 34.519 1.00 95.45 ? 998 GLU A OE2 1 ATOM 913 N N . GLY A 1 120 ? 37.773 -7.366 33.485 1.00 33.77 ? 999 GLY A N 1 ATOM 914 C CA . GLY A 1 120 ? 37.914 -6.833 34.837 1.00 32.54 ? 999 GLY A CA 1 ATOM 915 C C . GLY A 1 120 ? 38.875 -5.685 35.078 1.00 35.86 ? 999 GLY A C 1 ATOM 916 O O . GLY A 1 120 ? 39.240 -5.442 36.230 1.00 38.24 ? 999 GLY A O 1 ATOM 917 N N . LYS A 1 121 ? 39.307 -4.983 34.010 1.00 30.15 ? 1000 LYS A N 1 ATOM 918 C CA . LYS A 1 121 ? 40.273 -3.872 34.028 1.00 27.92 ? 1000 LYS A CA 1 ATOM 919 C C . LYS A 1 121 ? 39.680 -2.769 33.138 1.00 32.87 ? 1000 LYS A C 1 ATOM 920 O O . LYS A 1 121 ? 40.062 -2.626 31.973 1.00 32.05 ? 1000 LYS A O 1 ATOM 921 C CB . LYS A 1 121 ? 41.670 -4.359 33.543 1.00 27.95 ? 1000 LYS A CB 1 ATOM 922 C CG . LYS A 1 121 ? 42.391 -5.178 34.611 1.00 23.57 ? 1000 LYS A CG 1 ATOM 923 C CD . LYS A 1 121 ? 43.625 -5.909 34.144 1.00 32.86 ? 1000 LYS A CD 1 ATOM 924 C CE . LYS A 1 121 ? 44.088 -6.929 35.183 1.00 41.18 ? 1000 LYS A CE 1 ATOM 925 N NZ . LYS A 1 121 ? 45.430 -7.517 34.883 1.00 37.87 ? 1000 LYS A NZ 1 ATOM 926 N N . PRO A 1 122 ? 38.688 -2.025 33.679 1.00 31.34 ? 1001 PRO A N 1 ATOM 927 C CA . PRO A 1 122 ? 37.960 -1.019 32.878 1.00 30.05 ? 1001 PRO A CA 1 ATOM 928 C C . PRO A 1 122 ? 38.725 0.156 32.282 1.00 34.06 ? 1001 PRO A C 1 ATOM 929 O O . PRO A 1 122 ? 38.230 0.763 31.327 1.00 36.17 ? 1001 PRO A O 1 ATOM 930 C CB . PRO A 1 122 ? 36.869 -0.537 33.836 1.00 31.43 ? 1001 PRO A CB 1 ATOM 931 C CG . PRO A 1 122 ? 37.417 -0.784 35.177 1.00 37.16 ? 1001 PRO A CG 1 ATOM 932 C CD . PRO A 1 122 ? 38.115 -2.107 35.036 1.00 33.89 ? 1001 PRO A CD 1 ATOM 933 N N . ARG A 1 123 ? 39.879 0.498 32.854 1.00 28.56 ? 1002 ARG A N 1 ATOM 934 C CA . ARG A 1 123 ? 40.739 1.603 32.417 1.00 26.94 ? 1002 ARG A CA 1 ATOM 935 C C . ARG A 1 123 ? 41.671 1.144 31.319 1.00 33.04 ? 1002 ARG A C 1 ATOM 936 O O . ARG A 1 123 ? 42.421 1.953 30.781 1.00 33.53 ? 1002 ARG A O 1 ATOM 937 C CB . ARG A 1 123 ? 41.521 2.197 33.599 1.00 23.13 ? 1002 ARG A CB 1 ATOM 938 C CG . ARG A 1 123 ? 40.621 2.896 34.615 1.00 18.91 ? 1002 ARG A CG 1 ATOM 939 C CD . ARG A 1 123 ? 41.392 3.529 35.747 1.00 14.93 ? 1002 ARG A CD 1 ATOM 940 N NE . ARG A 1 123 ? 42.259 4.591 35.274 1.00 44.67 ? 1002 ARG A NE 1 ATOM 941 C CZ . ARG A 1 123 ? 43.562 4.614 35.493 1.00 64.77 ? 1002 ARG A CZ 1 ATOM 942 N NH1 . ARG A 1 123 ? 44.136 3.657 36.232 1.00 32.57 ? 1002 ARG A NH1 1 ATOM 943 N NH2 . ARG A 1 123 ? 44.306 5.611 35.007 1.00 51.77 ? 1002 ARG A NH2 1 ATOM 944 N N . THR A 1 124 ? 41.579 -0.160 30.956 1.00 30.86 ? 1003 THR A N 1 ATOM 945 C CA . THR A 1 124 ? 42.321 -0.801 29.867 1.00 31.03 ? 1003 THR A CA 1 ATOM 946 C C . THR A 1 124 ? 41.388 -1.230 28.731 1.00 37.50 ? 1003 THR A C 1 ATOM 947 O O . THR A 1 124 ? 40.261 -1.706 28.946 1.00 37.86 ? 1003 THR A O 1 ATOM 948 C CB . THR A 1 124 ? 43.126 -2.017 30.358 1.00 32.29 ? 1003 THR A CB 1 ATOM 949 O OG1 . THR A 1 124 ? 43.899 -1.676 31.505 1.00 41.41 ? 1003 THR A OG1 1 ATOM 950 C CG2 . THR A 1 124 ? 44.047 -2.528 29.315 1.00 22.05 ? 1003 THR A CG2 1 ATOM 951 N N . ILE A 1 125 ? 41.900 -1.097 27.508 1.00 34.28 ? 1004 ILE A N 1 ATOM 952 C CA . ILE A 1 125 ? 41.198 -1.494 26.304 1.00 32.41 ? 1004 ILE A CA 1 ATOM 953 C C . ILE A 1 125 ? 42.089 -2.352 25.435 1.00 35.86 ? 1004 ILE A C 1 ATOM 954 O O . ILE A 1 125 ? 43.305 -2.256 25.517 1.00 35.73 ? 1004 ILE A O 1 ATOM 955 C CB . ILE A 1 125 ? 40.656 -0.271 25.526 1.00 33.98 ? 1004 ILE A CB 1 ATOM 956 C CG1 . ILE A 1 125 ? 41.763 0.738 25.217 1.00 34.33 ? 1004 ILE A CG1 1 ATOM 957 C CG2 . ILE A 1 125 ? 39.461 0.358 26.225 1.00 33.87 ? 1004 ILE A CG2 1 ATOM 958 C CD1 . ILE A 1 125 ? 41.730 1.331 23.820 1.00 44.59 ? 1004 ILE A CD1 1 ATOM 959 N N . ILE A 1 126 ? 41.476 -3.177 24.591 1.00 32.37 ? 1005 ILE A N 1 ATOM 960 C CA . ILE A 1 126 ? 42.164 -3.978 23.598 1.00 31.89 ? 1005 ILE A CA 1 ATOM 961 C C . ILE A 1 126 ? 41.634 -3.514 22.262 1.00 37.02 ? 1005 ILE A C 1 ATOM 962 O O . ILE A 1 126 ? 40.416 -3.486 22.061 1.00 39.89 ? 1005 ILE A O 1 ATOM 963 C CB . ILE A 1 126 ? 41.989 -5.503 23.824 1.00 35.67 ? 1005 ILE A CB 1 ATOM 964 C CG1 . ILE A 1 126 ? 42.624 -5.903 25.157 1.00 36.73 ? 1005 ILE A CG1 1 ATOM 965 C CG2 . ILE A 1 126 ? 42.589 -6.312 22.655 1.00 34.58 ? 1005 ILE A CG2 1 ATOM 966 C CD1 . ILE A 1 126 ? 42.167 -7.219 25.663 1.00 47.45 ? 1005 ILE A CD1 1 ATOM 967 N N . VAL A 1 127 ? 42.549 -3.133 21.361 1.00 32.00 ? 1006 VAL A N 1 ATOM 968 C CA . VAL A 1 127 ? 42.248 -2.661 20.010 1.00 31.36 ? 1006 VAL A CA 1 ATOM 969 C C . VAL A 1 127 ? 42.658 -3.738 19.029 1.00 39.43 ? 1006 VAL A C 1 ATOM 970 O O . VAL A 1 127 ? 43.796 -4.224 19.053 1.00 39.23 ? 1006 VAL A O 1 ATOM 971 C CB . VAL A 1 127 ? 42.969 -1.331 19.672 1.00 33.18 ? 1006 VAL A CB 1 ATOM 972 C CG1 . VAL A 1 127 ? 42.415 -0.717 18.387 1.00 33.23 ? 1006 VAL A CG1 1 ATOM 973 C CG2 . VAL A 1 127 ? 42.895 -0.353 20.828 1.00 31.61 ? 1006 VAL A CG2 1 ATOM 974 N N . ASN A 1 128 ? 41.744 -4.084 18.139 1.00 38.77 ? 1007 ASN A N 1 ATOM 975 C CA . ASN A 1 128 ? 42.011 -5.075 17.116 1.00 39.49 ? 1007 ASN A CA 1 ATOM 976 C C . ASN A 1 128 ? 41.713 -4.467 15.780 1.00 42.73 ? 1007 ASN A C 1 ATOM 977 O O . ASN A 1 128 ? 40.889 -3.556 15.697 1.00 42.66 ? 1007 ASN A O 1 ATOM 978 C CB . ASN A 1 128 ? 41.151 -6.305 17.353 1.00 41.76 ? 1007 ASN A CB 1 ATOM 979 C CG . ASN A 1 128 ? 41.836 -7.564 16.930 1.00 74.67 ? 1007 ASN A CG 1 ATOM 980 O OD1 . ASN A 1 128 ? 42.652 -8.117 17.682 1.00 78.29 ? 1007 ASN A OD1 1 ATOM 981 N ND2 . ASN A 1 128 ? 41.570 -8.016 15.691 1.00 64.69 ? 1007 ASN A ND2 1 ATOM 982 N N . TRP A 1 129 ? 42.402 -4.943 14.739 1.00 40.59 ? 1008 TRP A N 1 ATOM 983 C CA . TRP A 1 129 ? 42.217 -4.514 13.348 1.00 41.75 ? 1008 TRP A CA 1 ATOM 984 C C . TRP A 1 129 ? 42.722 -5.597 12.391 1.00 47.28 ? 1008 TRP A C 1 ATOM 985 O O . TRP A 1 129 ? 43.235 -6.640 12.822 1.00 49.17 ? 1008 TRP A O 1 ATOM 986 C CB . TRP A 1 129 ? 42.882 -3.143 13.073 1.00 40.00 ? 1008 TRP A CB 1 ATOM 987 C CG . TRP A 1 129 ? 44.372 -3.150 13.218 1.00 41.33 ? 1008 TRP A CG 1 ATOM 988 C CD1 . TRP A 1 129 ? 45.290 -3.404 12.239 1.00 45.21 ? 1008 TRP A CD1 1 ATOM 989 C CD2 . TRP A 1 129 ? 45.113 -3.033 14.447 1.00 40.68 ? 1008 TRP A CD2 1 ATOM 990 N NE1 . TRP A 1 129 ? 46.561 -3.425 12.773 1.00 44.44 ? 1008 TRP A NE1 1 ATOM 991 C CE2 . TRP A 1 129 ? 46.481 -3.196 14.128 1.00 45.61 ? 1008 TRP A CE2 1 ATOM 992 C CE3 . TRP A 1 129 ? 44.751 -2.821 15.796 1.00 40.68 ? 1008 TRP A CE3 1 ATOM 993 C CZ2 . TRP A 1 129 ? 47.494 -3.083 15.101 1.00 44.98 ? 1008 TRP A CZ2 1 ATOM 994 C CZ3 . TRP A 1 129 ? 45.750 -2.713 16.751 1.00 41.70 ? 1008 TRP A CZ3 1 ATOM 995 C CH2 . TRP A 1 129 ? 47.102 -2.855 16.405 1.00 43.13 ? 1008 TRP A CH2 1 ATOM 996 N N . GLN A 1 130 ? 42.543 -5.360 11.099 1.00 43.35 ? 1009 GLN A N 1 ATOM 997 C CA . GLN A 1 130 ? 42.952 -6.251 10.017 1.00 43.87 ? 1009 GLN A CA 1 ATOM 998 C C . GLN A 1 130 ? 43.913 -5.477 9.091 1.00 47.70 ? 1009 GLN A C 1 ATOM 999 O O . GLN A 1 130 ? 43.809 -4.242 9.020 1.00 43.74 ? 1009 GLN A O 1 ATOM 1000 C CB . GLN A 1 130 ? 41.726 -6.749 9.226 1.00 46.04 ? 1009 GLN A CB 1 ATOM 1001 C CG . GLN A 1 130 ? 40.938 -7.890 9.851 1.00 54.78 ? 1009 GLN A CG 1 ATOM 1002 C CD . GLN A 1 130 ? 41.818 -9.004 10.364 1.00 94.46 ? 1009 GLN A CD 1 ATOM 1003 O OE1 . GLN A 1 130 ? 42.585 -9.630 9.612 1.00 90.03 ? 1009 GLN A OE1 1 ATOM 1004 N NE2 . GLN A 1 130 ? 41.748 -9.247 11.678 1.00 100.58 ? 1009 GLN A NE2 1 ATOM 1005 N N . PRO A 1 131 ? 44.856 -6.165 8.373 1.00 47.05 ? 1010 PRO A N 1 ATOM 1006 C CA . PRO A 1 131 ? 45.776 -5.429 7.491 1.00 46.31 ? 1010 PRO A CA 1 ATOM 1007 C C . PRO A 1 131 ? 45.020 -4.764 6.351 1.00 52.52 ? 1010 PRO A C 1 ATOM 1008 O O . PRO A 1 131 ? 43.958 -5.261 5.945 1.00 55.12 ? 1010 PRO A O 1 ATOM 1009 C CB . PRO A 1 131 ? 46.725 -6.512 6.961 1.00 49.00 ? 1010 PRO A CB 1 ATOM 1010 C CG . PRO A 1 131 ? 46.518 -7.666 7.788 1.00 54.42 ? 1010 PRO A CG 1 ATOM 1011 C CD . PRO A 1 131 ? 45.116 -7.617 8.289 1.00 50.03 ? 1010 PRO A CD 1 ATOM 1012 N N . PRO A 1 132 ? 45.525 -3.655 5.803 1.00 47.68 ? 1011 PRO A N 1 ATOM 1013 C CA . PRO A 1 132 ? 44.802 -3.034 4.687 1.00 48.35 ? 1011 PRO A CA 1 ATOM 1014 C C . PRO A 1 132 ? 44.694 -3.953 3.466 1.00 53.99 ? 1011 PRO A C 1 ATOM 1015 O O . PRO A 1 132 ? 45.494 -4.873 3.313 1.00 53.88 ? 1011 PRO A O 1 ATOM 1016 C CB . PRO A 1 132 ? 45.620 -1.775 4.406 1.00 49.06 ? 1011 PRO A CB 1 ATOM 1017 C CG . PRO A 1 132 ? 46.965 -2.016 4.998 1.00 52.04 ? 1011 PRO A CG 1 ATOM 1018 C CD . PRO A 1 132 ? 46.765 -2.918 6.148 1.00 47.73 ? 1011 PRO A CD 1 ATOM 1019 N N . SER A 1 133 ? 43.689 -3.722 2.614 1.00 53.41 ? 1012 SER A N 1 ATOM 1020 C CA . SER A 1 133 ? 43.497 -4.499 1.372 1.00 55.51 ? 1012 SER A CA 1 ATOM 1021 C C . SER A 1 133 ? 44.682 -4.242 0.451 1.00 58.39 ? 1012 SER A C 1 ATOM 1022 O O . SER A 1 133 ? 45.292 -5.201 -0.039 1.00 60.13 ? 1012 SER A O 1 ATOM 1023 C CB . SER A 1 133 ? 42.197 -4.105 0.674 1.00 60.17 ? 1012 SER A CB 1 ATOM 1024 O OG . SER A 1 133 ? 41.064 -4.422 1.465 1.00 68.96 ? 1012 SER A OG 1 ATOM 1025 N N . GLU A 1 134 ? 45.048 -2.951 0.281 1.00 50.62 ? 1013 GLU A N 1 ATOM 1026 C CA . GLU A 1 134 ? 46.185 -2.540 -0.536 1.00 48.80 ? 1013 GLU A CA 1 ATOM 1027 C C . GLU A 1 134 ? 47.409 -2.220 0.358 1.00 47.42 ? 1013 GLU A C 1 ATOM 1028 O O . GLU A 1 134 ? 47.843 -1.078 0.438 1.00 42.57 ? 1013 GLU A O 1 ATOM 1029 C CB . GLU A 1 134 ? 45.829 -1.344 -1.443 1.00 50.47 ? 1013 GLU A CB 1 ATOM 1030 C CG . GLU A 1 134 ? 44.645 -1.570 -2.369 1.00 63.31 ? 1013 GLU A CG 1 ATOM 1031 C CD . GLU A 1 134 ? 43.800 -0.356 -2.724 1.00 91.53 ? 1013 GLU A CD 1 ATOM 1032 O OE1 . GLU A 1 134 ? 44.369 0.749 -2.878 1.00 83.89 ? 1013 GLU A OE1 1 ATOM 1033 O OE2 . GLU A 1 134 ? 42.563 -0.516 -2.857 1.00 99.80 ? 1013 GLU A OE2 1 ATOM 1034 N N . ALA A 1 135 ? 47.962 -3.249 1.029 1.00 45.81 ? 1014 ALA A N 1 ATOM 1035 C CA . ALA A 1 135 ? 49.168 -3.131 1.870 1.00 44.06 ? 1014 ALA A CA 1 ATOM 1036 C C . ALA A 1 135 ? 50.374 -2.768 1.022 1.00 52.18 ? 1014 ALA A C 1 ATOM 1037 O O . ALA A 1 135 ? 51.207 -1.987 1.474 1.00 52.67 ? 1014 ALA A O 1 ATOM 1038 C CB . ALA A 1 135 ? 49.429 -4.422 2.602 1.00 44.51 ? 1014 ALA A CB 1 ATOM 1039 N N . ASN A 1 136 ? 50.456 -3.326 -0.212 1.00 50.29 ? 1015 ASN A N 1 ATOM 1040 C CA . ASN A 1 136 ? 51.478 -3.089 -1.225 1.00 50.64 ? 1015 ASN A CA 1 ATOM 1041 C C . ASN A 1 136 ? 52.903 -3.398 -0.768 1.00 56.19 ? 1015 ASN A C 1 ATOM 1042 O O . ASN A 1 136 ? 53.847 -2.997 -1.421 1.00 56.03 ? 1015 ASN A O 1 ATOM 1043 C CB . ASN A 1 136 ? 51.366 -1.660 -1.779 1.00 46.07 ? 1015 ASN A CB 1 ATOM 1044 C CG . ASN A 1 136 ? 50.000 -1.230 -2.221 1.00 62.25 ? 1015 ASN A CG 1 ATOM 1045 O OD1 . ASN A 1 136 ? 49.180 -2.031 -2.696 1.00 61.31 ? 1015 ASN A OD1 1 ATOM 1046 N ND2 . ASN A 1 136 ? 49.752 0.065 -2.106 1.00 50.21 ? 1015 ASN A ND2 1 ATOM 1047 N N . GLY A 1 137 ? 53.059 -4.101 0.345 1.00 54.05 ? 1016 GLY A N 1 ATOM 1048 C CA . GLY A 1 137 ? 54.375 -4.465 0.856 1.00 54.71 ? 1016 GLY A CA 1 ATOM 1049 C C . GLY A 1 137 ? 54.312 -5.184 2.169 1.00 57.47 ? 1016 GLY A C 1 ATOM 1050 O O . GLY A 1 137 ? 53.216 -5.395 2.684 1.00 57.18 ? 1016 GLY A O 1 ATOM 1051 N N . LYS A 1 138 ? 55.477 -5.573 2.722 1.00 54.22 ? 1017 LYS A N 1 ATOM 1052 C CA . LYS A 1 138 ? 55.536 -6.242 4.029 1.00 53.74 ? 1017 LYS A CA 1 ATOM 1053 C C . LYS A 1 138 ? 55.347 -5.116 5.009 1.00 56.04 ? 1017 LYS A C 1 ATOM 1054 O O . LYS A 1 138 ? 56.114 -4.141 4.975 1.00 54.65 ? 1017 LYS A O 1 ATOM 1055 C CB . LYS A 1 138 ? 56.880 -6.966 4.247 1.00 56.67 ? 1017 LYS A CB 1 ATOM 1056 C CG . LYS A 1 138 ? 57.027 -7.719 5.552 1.00 61.93 ? 1017 LYS A CG 1 ATOM 1057 C CD . LYS A 1 138 ? 58.412 -8.386 5.580 1.00 82.16 ? 1017 LYS A CD 1 ATOM 1058 C CE . LYS A 1 138 ? 58.746 -9.086 6.877 1.00 87.35 ? 1017 LYS A CE 1 ATOM 1059 N NZ . LYS A 1 138 ? 60.096 -9.705 6.834 1.00 92.75 ? 1017 LYS A NZ 1 ATOM 1060 N N . ILE A 1 139 ? 54.232 -5.195 5.766 1.00 52.52 ? 1018 ILE A N 1 ATOM 1061 C CA . ILE A 1 139 ? 53.821 -4.234 6.795 1.00 50.16 ? 1018 ILE A CA 1 ATOM 1062 C C . ILE A 1 139 ? 54.848 -4.276 7.899 1.00 52.71 ? 1018 ILE A C 1 ATOM 1063 O O . ILE A 1 139 ? 55.102 -5.350 8.463 1.00 53.60 ? 1018 ILE A O 1 ATOM 1064 C CB . ILE A 1 139 ? 52.378 -4.505 7.326 1.00 52.17 ? 1018 ILE A CB 1 ATOM 1065 C CG1 . ILE A 1 139 ? 51.280 -4.316 6.236 1.00 52.02 ? 1018 ILE A CG1 1 ATOM 1066 C CG2 . ILE A 1 139 ? 52.088 -3.671 8.569 1.00 51.51 ? 1018 ILE A CG2 1 ATOM 1067 C CD1 . ILE A 1 139 ? 51.155 -2.937 5.597 1.00 53.32 ? 1018 ILE A CD1 1 ATOM 1068 N N . THR A 1 140 ? 55.452 -3.115 8.186 1.00 47.41 ? 1019 THR A N 1 ATOM 1069 C CA . THR A 1 140 ? 56.511 -2.993 9.188 1.00 49.20 ? 1019 THR A CA 1 ATOM 1070 C C . THR A 1 140 ? 56.001 -2.467 10.551 1.00 56.85 ? 1019 THR A C 1 ATOM 1071 O O . THR A 1 140 ? 56.759 -2.353 11.523 1.00 56.60 ? 1019 THR A O 1 ATOM 1072 C CB . THR A 1 140 ? 57.732 -2.252 8.605 1.00 48.08 ? 1019 THR A CB 1 ATOM 1073 O OG1 . THR A 1 140 ? 57.349 -0.963 8.159 1.00 44.87 ? 1019 THR A OG1 1 ATOM 1074 C CG2 . THR A 1 140 ? 58.384 -3.006 7.461 1.00 45.03 ? 1019 THR A CG2 1 ATOM 1075 N N . GLY A 1 141 ? 54.707 -2.182 10.597 1.00 54.48 ? 1020 GLY A N 1 ATOM 1076 C CA . GLY A 1 141 ? 54.039 -1.679 11.787 1.00 52.20 ? 1020 GLY A CA 1 ATOM 1077 C C . GLY A 1 141 ? 52.832 -0.823 11.491 1.00 49.31 ? 1020 GLY A C 1 ATOM 1078 O O . GLY A 1 141 ? 52.523 -0.565 10.327 1.00 46.98 ? 1020 GLY A O 1 ATOM 1079 N N . TYR A 1 142 ? 52.129 -0.425 12.571 1.00 44.35 ? 1021 TYR A N 1 ATOM 1080 C CA . TYR A 1 142 ? 50.960 0.448 12.544 1.00 43.41 ? 1021 TYR A CA 1 ATOM 1081 C C . TYR A 1 142 ? 51.159 1.554 13.549 1.00 44.54 ? 1021 TYR A C 1 ATOM 1082 O O . TYR A 1 142 ? 52.039 1.458 14.393 1.00 45.09 ? 1021 TYR A O 1 ATOM 1083 C CB . TYR A 1 142 ? 49.658 -0.299 12.899 1.00 44.60 ? 1021 TYR A CB 1 ATOM 1084 C CG . TYR A 1 142 ? 49.331 -1.440 11.972 1.00 49.04 ? 1021 TYR A CG 1 ATOM 1085 C CD1 . TYR A 1 142 ? 49.897 -2.698 12.164 1.00 52.93 ? 1021 TYR A CD1 1 ATOM 1086 C CD2 . TYR A 1 142 ? 48.446 -1.273 10.906 1.00 49.82 ? 1021 TYR A CD2 1 ATOM 1087 C CE1 . TYR A 1 142 ? 49.634 -3.745 11.291 1.00 55.67 ? 1021 TYR A CE1 1 ATOM 1088 C CE2 . TYR A 1 142 ? 48.157 -2.326 10.033 1.00 52.02 ? 1021 TYR A CE2 1 ATOM 1089 C CZ . TYR A 1 142 ? 48.759 -3.557 10.229 1.00 62.23 ? 1021 TYR A CZ 1 ATOM 1090 O OH . TYR A 1 142 ? 48.478 -4.604 9.389 1.00 67.04 ? 1021 TYR A OH 1 ATOM 1091 N N . ILE A 1 143 ? 50.345 2.604 13.463 1.00 38.62 ? 1022 ILE A N 1 ATOM 1092 C CA . ILE A 1 143 ? 50.336 3.681 14.433 1.00 37.52 ? 1022 ILE A CA 1 ATOM 1093 C C . ILE A 1 143 ? 48.881 3.892 14.809 1.00 39.17 ? 1022 ILE A C 1 ATOM 1094 O O . ILE A 1 143 ? 48.033 4.131 13.942 1.00 38.87 ? 1022 ILE A O 1 ATOM 1095 C CB . ILE A 1 143 ? 50.992 4.997 13.942 1.00 42.09 ? 1022 ILE A CB 1 ATOM 1096 C CG1 . ILE A 1 143 ? 52.447 4.778 13.439 1.00 44.27 ? 1022 ILE A CG1 1 ATOM 1097 C CG2 . ILE A 1 143 ? 50.935 6.043 15.064 1.00 42.54 ? 1022 ILE A CG2 1 ATOM 1098 C CD1 . ILE A 1 143 ? 53.059 5.918 12.744 1.00 56.26 ? 1022 ILE A CD1 1 ATOM 1099 N N . ILE A 1 144 ? 48.598 3.776 16.100 1.00 34.78 ? 1023 ILE A N 1 ATOM 1100 C CA . ILE A 1 144 ? 47.266 4.011 16.639 1.00 33.21 ? 1023 ILE A CA 1 ATOM 1101 C C . ILE A 1 144 ? 47.251 5.439 17.160 1.00 38.72 ? 1023 ILE A C 1 ATOM 1102 O O . ILE A 1 144 ? 48.220 5.877 17.798 1.00 38.50 ? 1023 ILE A O 1 ATOM 1103 C CB . ILE A 1 144 ? 46.890 2.988 17.745 1.00 34.16 ? 1023 ILE A CB 1 ATOM 1104 C CG1 . ILE A 1 144 ? 46.871 1.570 17.184 1.00 34.64 ? 1023 ILE A CG1 1 ATOM 1105 C CG2 . ILE A 1 144 ? 45.535 3.327 18.400 1.00 32.61 ? 1023 ILE A CG2 1 ATOM 1106 C CD1 . ILE A 1 144 ? 46.980 0.461 18.241 1.00 39.87 ? 1023 ILE A CD1 1 ATOM 1107 N N . TYR A 1 145 ? 46.172 6.171 16.868 1.00 35.10 ? 1024 TYR A N 1 ATOM 1108 C CA . TYR A 1 145 ? 45.991 7.515 17.381 1.00 36.18 ? 1024 TYR A CA 1 ATOM 1109 C C . TYR A 1 145 ? 44.699 7.518 18.184 1.00 40.30 ? 1024 TYR A C 1 ATOM 1110 O O . TYR A 1 145 ? 43.707 6.927 17.749 1.00 41.23 ? 1024 TYR A O 1 ATOM 1111 C CB . TYR A 1 145 ? 45.911 8.566 16.258 1.00 38.82 ? 1024 TYR A CB 1 ATOM 1112 C CG . TYR A 1 145 ? 47.112 8.620 15.320 1.00 39.94 ? 1024 TYR A CG 1 ATOM 1113 C CD1 . TYR A 1 145 ? 47.204 7.767 14.212 1.00 41.10 ? 1024 TYR A CD1 1 ATOM 1114 C CD2 . TYR A 1 145 ? 48.116 9.566 15.493 1.00 40.46 ? 1024 TYR A CD2 1 ATOM 1115 C CE1 . TYR A 1 145 ? 48.291 7.827 13.336 1.00 41.01 ? 1024 TYR A CE1 1 ATOM 1116 C CE2 . TYR A 1 145 ? 49.215 9.624 14.629 1.00 40.58 ? 1024 TYR A CE2 1 ATOM 1117 C CZ . TYR A 1 145 ? 49.290 8.764 13.543 1.00 43.76 ? 1024 TYR A CZ 1 ATOM 1118 O OH . TYR A 1 145 ? 50.360 8.821 12.678 1.00 40.91 ? 1024 TYR A OH 1 ATOM 1119 N N . TYR A 1 146 ? 44.717 8.150 19.356 1.00 35.41 ? 1025 TYR A N 1 ATOM 1120 C CA . TYR A 1 146 ? 43.538 8.304 20.186 1.00 34.17 ? 1025 TYR A CA 1 ATOM 1121 C C . TYR A 1 146 ? 43.412 9.681 20.835 1.00 40.21 ? 1025 TYR A C 1 ATOM 1122 O O . TYR A 1 146 ? 44.403 10.348 21.165 1.00 38.98 ? 1025 TYR A O 1 ATOM 1123 C CB . TYR A 1 146 ? 43.289 7.153 21.159 1.00 32.46 ? 1025 TYR A CB 1 ATOM 1124 C CG . TYR A 1 146 ? 44.277 7.054 22.292 1.00 34.19 ? 1025 TYR A CG 1 ATOM 1125 C CD1 . TYR A 1 146 ? 45.442 6.312 22.160 1.00 36.94 ? 1025 TYR A CD1 1 ATOM 1126 C CD2 . TYR A 1 146 ? 44.015 7.646 23.529 1.00 34.46 ? 1025 TYR A CD2 1 ATOM 1127 C CE1 . TYR A 1 146 ? 46.349 6.196 23.212 1.00 39.31 ? 1025 TYR A CE1 1 ATOM 1128 C CE2 . TYR A 1 146 ? 44.915 7.527 24.591 1.00 35.04 ? 1025 TYR A CE2 1 ATOM 1129 C CZ . TYR A 1 146 ? 46.084 6.808 24.424 1.00 43.73 ? 1025 TYR A CZ 1 ATOM 1130 O OH . TYR A 1 146 ? 46.993 6.661 25.442 1.00 50.66 ? 1025 TYR A OH 1 ATOM 1131 N N . SER A 1 147 ? 42.167 10.111 20.973 1.00 37.09 ? 1026 SER A N 1 ATOM 1132 C CA . SER A 1 147 ? 41.837 11.383 21.553 1.00 38.31 ? 1026 SER A CA 1 ATOM 1133 C C . SER A 1 147 ? 40.499 11.266 22.236 1.00 43.53 ? 1026 SER A C 1 ATOM 1134 O O . SER A 1 147 ? 39.726 10.340 21.937 1.00 41.17 ? 1026 SER A O 1 ATOM 1135 C CB . SER A 1 147 ? 41.760 12.439 20.462 1.00 43.70 ? 1026 SER A CB 1 ATOM 1136 O OG . SER A 1 147 ? 41.378 13.692 21.002 1.00 59.97 ? 1026 SER A OG 1 ATOM 1137 N N . THR A 1 148 ? 40.235 12.207 23.167 1.00 42.69 ? 1027 THR A N 1 ATOM 1138 C CA . THR A 1 148 ? 38.943 12.332 23.849 1.00 43.77 ? 1027 THR A CA 1 ATOM 1139 C C . THR A 1 148 ? 38.100 13.406 23.144 1.00 50.89 ? 1027 THR A C 1 ATOM 1140 O O . THR A 1 148 ? 36.910 13.532 23.432 1.00 53.48 ? 1027 THR A O 1 ATOM 1141 C CB . THR A 1 148 ? 39.118 12.581 25.331 1.00 53.26 ? 1027 THR A CB 1 ATOM 1142 O OG1 . THR A 1 148 ? 40.083 13.623 25.513 1.00 61.82 ? 1027 THR A OG1 1 ATOM 1143 C CG2 . THR A 1 148 ? 39.536 11.331 26.068 1.00 45.96 ? 1027 THR A CG2 1 ATOM 1144 N N . ASP A 1 149 ? 38.730 14.154 22.206 1.00 47.47 ? 1028 ASP A N 1 ATOM 1145 C CA . ASP A 1 149 ? 38.148 15.184 21.345 1.00 51.09 ? 1028 ASP A CA 1 ATOM 1146 C C . ASP A 1 149 ? 38.371 14.724 19.895 1.00 55.61 ? 1028 ASP A C 1 ATOM 1147 O O . ASP A 1 149 ? 39.508 14.659 19.416 1.00 54.81 ? 1028 ASP A O 1 ATOM 1148 C CB . ASP A 1 149 ? 38.830 16.553 21.593 1.00 56.07 ? 1028 ASP A CB 1 ATOM 1149 C CG . ASP A 1 149 ? 38.285 17.735 20.825 1.00 77.04 ? 1028 ASP A CG 1 ATOM 1150 O OD1 . ASP A 1 149 ? 37.070 17.729 20.490 1.00 81.67 ? 1028 ASP A OD1 1 ATOM 1151 O OD2 . ASP A 1 149 ? 39.048 18.691 20.609 1.00 88.82 ? 1028 ASP A OD2 1 ATOM 1152 N N . VAL A 1 150 ? 37.287 14.358 19.216 1.00 51.92 ? 1029 VAL A N 1 ATOM 1153 C CA . VAL A 1 150 ? 37.330 13.870 17.830 1.00 50.30 ? 1029 VAL A CA 1 ATOM 1154 C C . VAL A 1 150 ? 37.734 15.013 16.898 1.00 56.12 ? 1029 VAL A C 1 ATOM 1155 O O . VAL A 1 150 ? 38.342 14.788 15.852 1.00 55.83 ? 1029 VAL A O 1 ATOM 1156 C CB . VAL A 1 150 ? 35.971 13.236 17.454 1.00 53.62 ? 1029 VAL A CB 1 ATOM 1157 C CG1 . VAL A 1 150 ? 34.834 14.265 17.470 1.00 56.94 ? 1029 VAL A CG1 1 ATOM 1158 C CG2 . VAL A 1 150 ? 36.043 12.497 16.133 1.00 52.60 ? 1029 VAL A CG2 1 ATOM 1159 N N . ASN A 1 151 ? 37.435 16.249 17.329 1.00 53.08 ? 1030 ASN A N 1 ATOM 1160 C CA . ASN A 1 151 ? 37.732 17.477 16.615 1.00 54.25 ? 1030 ASN A CA 1 ATOM 1161 C C . ASN A 1 151 ? 39.158 17.983 16.793 1.00 59.71 ? 1030 ASN A C 1 ATOM 1162 O O . ASN A 1 151 ? 39.570 18.859 16.058 1.00 62.54 ? 1030 ASN A O 1 ATOM 1163 C CB . ASN A 1 151 ? 36.695 18.513 16.949 1.00 46.99 ? 1030 ASN A CB 1 ATOM 1164 C CG . ASN A 1 151 ? 35.334 18.134 16.433 1.00 59.39 ? 1030 ASN A CG 1 ATOM 1165 O OD1 . ASN A 1 151 ? 35.120 17.902 15.222 1.00 58.64 ? 1030 ASN A OD1 1 ATOM 1166 N ND2 . ASN A 1 151 ? 34.390 18.059 17.352 1.00 49.65 ? 1030 ASN A ND2 1 ATOM 1167 N N . ALA A 1 152 ? 39.935 17.383 17.697 1.00 55.76 ? 1031 ALA A N 1 ATOM 1168 C CA . ALA A 1 152 ? 41.339 17.732 17.924 1.00 55.80 ? 1031 ALA A CA 1 ATOM 1169 C C . ALA A 1 152 ? 42.184 17.459 16.665 1.00 58.78 ? 1031 ALA A C 1 ATOM 1170 O O . ALA A 1 152 ? 41.908 16.515 15.911 1.00 53.27 ? 1031 ALA A O 1 ATOM 1171 C CB . ALA A 1 152 ? 41.894 16.924 19.098 1.00 53.77 ? 1031 ALA A CB 1 ATOM 1172 N N . GLU A 1 153 ? 43.196 18.310 16.432 1.00 59.39 ? 1032 GLU A N 1 ATOM 1173 C CA . GLU A 1 153 ? 44.098 18.132 15.302 1.00 59.19 ? 1032 GLU A CA 1 ATOM 1174 C C . GLU A 1 153 ? 45.003 16.938 15.601 1.00 60.60 ? 1032 GLU A C 1 ATOM 1175 O O . GLU A 1 153 ? 45.315 16.690 16.773 1.00 58.84 ? 1032 GLU A O 1 ATOM 1176 C CB . GLU A 1 153 ? 44.908 19.402 15.049 1.00 63.82 ? 1032 GLU A CB 1 ATOM 1177 C CG . GLU A 1 153 ? 44.546 20.056 13.734 1.00 79.89 ? 1032 GLU A CG 1 ATOM 1178 C CD . GLU A 1 153 ? 45.315 21.326 13.441 1.00 121.19 ? 1032 GLU A CD 1 ATOM 1179 O OE1 . GLU A 1 153 ? 44.905 22.399 13.944 1.00 109.21 ? 1032 GLU A OE1 1 ATOM 1180 O OE2 . GLU A 1 153 ? 46.322 21.251 12.697 1.00 129.22 ? 1032 GLU A OE2 1 ATOM 1181 N N . ILE A 1 154 ? 45.414 16.197 14.551 1.00 57.02 ? 1033 ILE A N 1 ATOM 1182 C CA . ILE A 1 154 ? 46.228 14.977 14.664 1.00 54.42 ? 1033 ILE A CA 1 ATOM 1183 C C . ILE A 1 154 ? 47.492 15.065 15.543 1.00 63.33 ? 1033 ILE A C 1 ATOM 1184 O O . ILE A 1 154 ? 47.874 14.084 16.206 1.00 61.61 ? 1033 ILE A O 1 ATOM 1185 C CB . ILE A 1 154 ? 46.419 14.280 13.310 1.00 55.78 ? 1033 ILE A CB 1 ATOM 1186 C CG1 . ILE A 1 154 ? 46.582 12.741 13.465 1.00 52.96 ? 1033 ILE A CG1 1 ATOM 1187 C CG2 . ILE A 1 154 ? 47.506 14.950 12.448 1.00 58.01 ? 1033 ILE A CG2 1 ATOM 1188 C CD1 . ILE A 1 154 ? 45.251 11.955 13.614 1.00 53.17 ? 1033 ILE A CD1 1 ATOM 1189 N N . HIS A 1 155 ? 48.096 16.264 15.592 1.00 65.04 ? 1034 HIS A N 1 ATOM 1190 C CA . HIS A 1 155 ? 49.262 16.514 16.423 1.00 66.66 ? 1034 HIS A CA 1 ATOM 1191 C C . HIS A 1 155 ? 48.923 16.383 17.912 1.00 69.30 ? 1034 HIS A C 1 ATOM 1192 O O . HIS A 1 155 ? 49.767 15.935 18.685 1.00 70.86 ? 1034 HIS A O 1 ATOM 1193 C CB . HIS A 1 155 ? 49.939 17.855 16.066 1.00 71.81 ? 1034 HIS A CB 1 ATOM 1194 C CG . HIS A 1 155 ? 49.077 19.079 16.205 1.00 78.90 ? 1034 HIS A CG 1 ATOM 1195 N ND1 . HIS A 1 155 ? 48.811 19.648 17.456 1.00 82.56 ? 1034 HIS A ND1 1 ATOM 1196 C CD2 . HIS A 1 155 ? 48.518 19.858 15.246 1.00 83.16 ? 1034 HIS A CD2 1 ATOM 1197 C CE1 . HIS A 1 155 ? 48.080 20.728 17.212 1.00 85.05 ? 1034 HIS A CE1 1 ATOM 1198 N NE2 . HIS A 1 155 ? 47.882 20.901 15.901 1.00 85.99 ? 1034 HIS A NE2 1 ATOM 1199 N N . ASP A 1 156 ? 47.677 16.704 18.293 1.00 63.52 ? 1035 ASP A N 1 ATOM 1200 C CA . ASP A 1 156 ? 47.203 16.634 19.674 1.00 62.54 ? 1035 ASP A CA 1 ATOM 1201 C C . ASP A 1 156 ? 46.725 15.243 20.085 1.00 59.29 ? 1035 ASP A C 1 ATOM 1202 O O . ASP A 1 156 ? 46.511 14.992 21.281 1.00 58.53 ? 1035 ASP A O 1 ATOM 1203 C CB . ASP A 1 156 ? 46.123 17.692 19.932 1.00 67.74 ? 1035 ASP A CB 1 ATOM 1204 C CG . ASP A 1 156 ? 46.626 19.111 19.852 1.00 90.84 ? 1035 ASP A CG 1 ATOM 1205 O OD1 . ASP A 1 156 ? 47.840 19.328 20.098 1.00 93.74 ? 1035 ASP A OD1 1 ATOM 1206 O OD2 . ASP A 1 156 ? 45.815 20.006 19.536 1.00 103.93 ? 1035 ASP A OD2 1 ATOM 1207 N N . TRP A 1 157 ? 46.548 14.347 19.098 1.00 50.24 ? 1036 TRP A N 1 ATOM 1208 C CA . TRP A 1 157 ? 46.147 12.966 19.319 1.00 45.68 ? 1036 TRP A CA 1 ATOM 1209 C C . TRP A 1 157 ? 47.335 12.195 19.896 1.00 49.01 ? 1036 TRP A C 1 ATOM 1210 O O . TRP A 1 157 ? 48.486 12.463 19.530 1.00 51.57 ? 1036 TRP A O 1 ATOM 1211 C CB . TRP A 1 157 ? 45.692 12.328 18.001 1.00 43.20 ? 1036 TRP A CB 1 ATOM 1212 C CG . TRP A 1 157 ? 44.320 12.744 17.566 1.00 44.72 ? 1036 TRP A CG 1 ATOM 1213 C CD1 . TRP A 1 157 ? 43.904 14.003 17.256 1.00 50.56 ? 1036 TRP A CD1 1 ATOM 1214 C CD2 . TRP A 1 157 ? 43.195 11.890 17.357 1.00 43.34 ? 1036 TRP A CD2 1 ATOM 1215 N NE1 . TRP A 1 157 ? 42.580 13.993 16.888 1.00 50.60 ? 1036 TRP A NE1 1 ATOM 1216 C CE2 . TRP A 1 157 ? 42.120 12.707 16.922 1.00 49.25 ? 1036 TRP A CE2 1 ATOM 1217 C CE3 . TRP A 1 157 ? 42.992 10.515 17.481 1.00 41.98 ? 1036 TRP A CE3 1 ATOM 1218 C CZ2 . TRP A 1 157 ? 40.857 12.200 16.634 1.00 48.03 ? 1036 TRP A CZ2 1 ATOM 1219 C CZ3 . TRP A 1 157 ? 41.737 10.009 17.186 1.00 43.22 ? 1036 TRP A CZ3 1 ATOM 1220 C CH2 . TRP A 1 157 ? 40.682 10.849 16.781 1.00 45.72 ? 1036 TRP A CH2 1 ATOM 1221 N N . VAL A 1 158 ? 47.057 11.246 20.809 1.00 41.90 ? 1037 VAL A N 1 ATOM 1222 C CA . VAL A 1 158 ? 48.072 10.418 21.467 1.00 39.25 ? 1037 VAL A CA 1 ATOM 1223 C C . VAL A 1 158 ? 48.530 9.345 20.485 1.00 45.32 ? 1037 VAL A C 1 ATOM 1224 O O . VAL A 1 158 ? 47.699 8.592 19.978 1.00 44.59 ? 1037 VAL A O 1 ATOM 1225 C CB . VAL A 1 158 ? 47.554 9.801 22.797 1.00 39.28 ? 1037 VAL A CB 1 ATOM 1226 C CG1 . VAL A 1 158 ? 48.666 9.111 23.556 1.00 39.11 ? 1037 VAL A CG1 1 ATOM 1227 C CG2 . VAL A 1 158 ? 46.898 10.839 23.671 1.00 39.15 ? 1037 VAL A CG2 1 ATOM 1228 N N . ILE A 1 159 ? 49.848 9.285 20.199 1.00 44.25 ? 1038 ILE A N 1 ATOM 1229 C CA . ILE A 1 159 ? 50.436 8.293 19.284 1.00 43.14 ? 1038 ILE A CA 1 ATOM 1230 C C . ILE A 1 159 ? 50.835 7.023 20.084 1.00 49.22 ? 1038 ILE A C 1 ATOM 1231 O O . ILE A 1 159 ? 51.599 7.109 21.062 1.00 50.93 ? 1038 ILE A O 1 ATOM 1232 C CB . ILE A 1 159 ? 51.635 8.891 18.484 1.00 47.40 ? 1038 ILE A CB 1 ATOM 1233 C CG1 . ILE A 1 159 ? 51.217 9.993 17.496 1.00 48.30 ? 1038 ILE A CG1 1 ATOM 1234 C CG2 . ILE A 1 159 ? 52.386 7.813 17.736 1.00 49.05 ? 1038 ILE A CG2 1 ATOM 1235 C CD1 . ILE A 1 159 ? 51.276 11.427 17.977 1.00 54.44 ? 1038 ILE A CD1 1 ATOM 1236 N N . GLU A 1 160 ? 50.297 5.851 19.660 1.00 43.52 ? 1039 GLU A N 1 ATOM 1237 C CA . GLU A 1 160 ? 50.580 4.521 20.214 1.00 40.53 ? 1039 GLU A CA 1 ATOM 1238 C C . GLU A 1 160 ? 51.153 3.676 19.075 1.00 44.68 ? 1039 GLU A C 1 ATOM 1239 O O . GLU A 1 160 ? 50.382 3.139 18.275 1.00 44.92 ? 1039 GLU A O 1 ATOM 1240 C CB . GLU A 1 160 ? 49.309 3.863 20.783 1.00 39.74 ? 1039 GLU A CB 1 ATOM 1241 C CG . GLU A 1 160 ? 49.084 4.042 22.275 1.00 49.45 ? 1039 GLU A CG 1 ATOM 1242 C CD . GLU A 1 160 ? 50.101 3.467 23.248 1.00 74.07 ? 1039 GLU A CD 1 ATOM 1243 O OE1 . GLU A 1 160 ? 50.724 2.422 22.939 1.00 76.65 ? 1039 GLU A OE1 1 ATOM 1244 O OE2 . GLU A 1 160 ? 50.257 4.061 24.340 1.00 59.95 ? 1039 GLU A OE2 1 ATOM 1245 N N . PRO A 1 161 ? 52.494 3.597 18.912 1.00 42.67 ? 1040 PRO A N 1 ATOM 1246 C CA . PRO A 1 161 ? 53.048 2.789 17.799 1.00 42.29 ? 1040 PRO A CA 1 ATOM 1247 C C . PRO A 1 161 ? 52.923 1.283 18.049 1.00 50.19 ? 1040 PRO A C 1 ATOM 1248 O O . PRO A 1 161 ? 52.869 0.813 19.201 1.00 51.63 ? 1040 PRO A O 1 ATOM 1249 C CB . PRO A 1 161 ? 54.511 3.246 17.686 1.00 45.14 ? 1040 PRO A CB 1 ATOM 1250 C CG . PRO A 1 161 ? 54.713 4.280 18.760 1.00 51.12 ? 1040 PRO A CG 1 ATOM 1251 C CD . PRO A 1 161 ? 53.570 4.181 19.737 1.00 45.79 ? 1040 PRO A CD 1 ATOM 1252 N N . VAL A 1 162 ? 52.843 0.526 16.955 1.00 48.28 ? 1041 VAL A N 1 ATOM 1253 C CA . VAL A 1 162 ? 52.715 -0.933 16.971 1.00 48.97 ? 1041 VAL A CA 1 ATOM 1254 C C . VAL A 1 162 ? 53.820 -1.421 16.052 1.00 52.18 ? 1041 VAL A C 1 ATOM 1255 O O . VAL A 1 162 ? 53.799 -1.158 14.867 1.00 51.35 ? 1041 VAL A O 1 ATOM 1256 C CB . VAL A 1 162 ? 51.315 -1.397 16.480 1.00 53.87 ? 1041 VAL A CB 1 ATOM 1257 C CG1 . VAL A 1 162 ? 51.212 -2.896 16.462 1.00 55.20 ? 1041 VAL A CG1 1 ATOM 1258 C CG2 . VAL A 1 162 ? 50.197 -0.831 17.332 1.00 52.89 ? 1041 VAL A CG2 1 ATOM 1259 N N . VAL A 1 163 ? 54.796 -2.089 16.599 1.00 52.64 ? 1042 VAL A N 1 ATOM 1260 C CA . VAL A 1 163 ? 55.941 -2.571 15.833 1.00 55.39 ? 1042 VAL A CA 1 ATOM 1261 C C . VAL A 1 163 ? 55.682 -3.924 15.186 1.00 61.30 ? 1042 VAL A C 1 ATOM 1262 O O . VAL A 1 163 ? 55.414 -4.905 15.877 1.00 62.97 ? 1042 VAL A O 1 ATOM 1263 C CB . VAL A 1 163 ? 57.263 -2.515 16.661 1.00 62.05 ? 1042 VAL A CB 1 ATOM 1264 C CG1 . VAL A 1 163 ? 58.466 -2.973 15.838 1.00 63.51 ? 1042 VAL A CG1 1 ATOM 1265 C CG2 . VAL A 1 163 ? 57.499 -1.103 17.227 1.00 61.78 ? 1042 VAL A CG2 1 ATOM 1266 N N . GLY A 1 164 ? 55.786 -3.949 13.861 1.00 58.83 ? 1043 GLY A N 1 ATOM 1267 C CA . GLY A 1 164 ? 55.609 -5.141 13.044 1.00 59.80 ? 1043 GLY A CA 1 ATOM 1268 C C . GLY A 1 164 ? 54.174 -5.424 12.691 1.00 61.27 ? 1043 GLY A C 1 ATOM 1269 O O . GLY A 1 164 ? 53.289 -4.635 13.022 1.00 60.13 ? 1043 GLY A O 1 ATOM 1270 N N . ASN A 1 165 ? 53.935 -6.566 12.043 1.00 58.11 ? 1044 ASN A N 1 ATOM 1271 C CA . ASN A 1 165 ? 52.582 -6.980 11.695 1.00 57.87 ? 1044 ASN A CA 1 ATOM 1272 C C . ASN A 1 165 ? 51.938 -7.688 12.902 1.00 62.57 ? 1044 ASN A C 1 ATOM 1273 O O . ASN A 1 165 ? 52.069 -8.910 13.107 1.00 66.60 ? 1044 ASN A O 1 ATOM 1274 C CB . ASN A 1 165 ? 52.520 -7.821 10.400 1.00 66.16 ? 1044 ASN A CB 1 ATOM 1275 C CG . ASN A 1 165 ? 51.385 -7.431 9.440 1.00 105.01 ? 1044 ASN A CG 1 ATOM 1276 O OD1 . ASN A 1 165 ? 50.403 -6.735 9.781 1.00 84.44 ? 1044 ASN A OD1 1 ATOM 1277 N ND2 . ASN A 1 165 ? 51.507 -7.870 8.189 1.00 105.90 ? 1044 ASN A ND2 1 ATOM 1278 N N . ARG A 1 166 ? 51.377 -6.850 13.783 1.00 53.11 ? 1045 ARG A N 1 ATOM 1279 C CA . ARG A 1 166 ? 50.627 -7.183 14.989 1.00 49.65 ? 1045 ARG A CA 1 ATOM 1280 C C . ARG A 1 166 ? 49.278 -6.556 14.698 1.00 49.61 ? 1045 ARG A C 1 ATOM 1281 O O . ARG A 1 166 ? 49.226 -5.458 14.126 1.00 51.53 ? 1045 ARG A O 1 ATOM 1282 C CB . ARG A 1 166 ? 51.258 -6.545 16.228 1.00 45.99 ? 1045 ARG A CB 1 ATOM 1283 C CG . ARG A 1 166 ? 52.534 -7.225 16.706 1.00 60.52 ? 1045 ARG A CG 1 ATOM 1284 C CD . ARG A 1 166 ? 53.190 -6.511 17.880 1.00 56.32 ? 1045 ARG A CD 1 ATOM 1285 N NE . ARG A 1 166 ? 52.220 -5.917 18.804 1.00 45.85 ? 1045 ARG A NE 1 ATOM 1286 C CZ . ARG A 1 166 ? 52.463 -4.812 19.512 1.00 61.07 ? 1045 ARG A CZ 1 ATOM 1287 N NH1 . ARG A 1 166 ? 53.651 -4.197 19.419 1.00 65.72 ? 1045 ARG A NH1 1 ATOM 1288 N NH2 . ARG A 1 166 ? 51.534 -4.324 20.340 1.00 12.97 ? 1045 ARG A NH2 1 ATOM 1289 N N . LEU A 1 167 ? 48.199 -7.257 14.990 1.00 40.92 ? 1046 LEU A N 1 ATOM 1290 C CA . LEU A 1 167 ? 46.858 -6.777 14.669 1.00 37.42 ? 1046 LEU A CA 1 ATOM 1291 C C . LEU A 1 167 ? 46.046 -6.478 15.891 1.00 40.74 ? 1046 LEU A C 1 ATOM 1292 O O . LEU A 1 167 ? 44.854 -6.168 15.775 1.00 41.02 ? 1046 LEU A O 1 ATOM 1293 C CB . LEU A 1 167 ? 46.136 -7.779 13.769 1.00 38.22 ? 1046 LEU A CB 1 ATOM 1294 C CG . LEU A 1 167 ? 46.780 -8.030 12.442 1.00 43.68 ? 1046 LEU A CG 1 ATOM 1295 C CD1 . LEU A 1 167 ? 46.085 -9.156 11.761 1.00 46.24 ? 1046 LEU A CD1 1 ATOM 1296 C CD2 . LEU A 1 167 ? 46.748 -6.764 11.572 1.00 45.26 ? 1046 LEU A CD2 1 ATOM 1297 N N . THR A 1 168 ? 46.693 -6.552 17.062 1.00 36.07 ? 1047 THR A N 1 ATOM 1298 C CA . THR A 1 168 ? 46.078 -6.336 18.367 1.00 34.91 ? 1047 THR A CA 1 ATOM 1299 C C . THR A 1 168 ? 47.017 -5.477 19.190 1.00 41.48 ? 1047 THR A C 1 ATOM 1300 O O . THR A 1 168 ? 48.238 -5.603 19.080 1.00 45.82 ? 1047 THR A O 1 ATOM 1301 C CB . THR A 1 168 ? 45.808 -7.693 19.054 1.00 38.01 ? 1047 THR A CB 1 ATOM 1302 O OG1 . THR A 1 168 ? 45.210 -8.606 18.153 1.00 48.43 ? 1047 THR A OG1 1 ATOM 1303 C CG2 . THR A 1 168 ? 44.980 -7.604 20.271 1.00 29.44 ? 1047 THR A CG2 1 ATOM 1304 N N . HIS A 1 169 ? 46.458 -4.629 20.040 1.00 36.21 ? 1048 HIS A N 1 ATOM 1305 C CA . HIS A 1 169 ? 47.274 -3.795 20.900 1.00 36.15 ? 1048 HIS A CA 1 ATOM 1306 C C . HIS A 1 169 ? 46.451 -3.324 22.097 1.00 34.67 ? 1048 HIS A C 1 ATOM 1307 O O . HIS A 1 169 ? 45.336 -2.831 21.922 1.00 34.09 ? 1048 HIS A O 1 ATOM 1308 C CB . HIS A 1 169 ? 47.855 -2.641 20.090 1.00 38.21 ? 1048 HIS A CB 1 ATOM 1309 C CG . HIS A 1 169 ? 48.702 -1.699 20.874 1.00 43.06 ? 1048 HIS A CG 1 ATOM 1310 N ND1 . HIS A 1 169 ? 50.031 -1.964 21.120 1.00 46.86 ? 1048 HIS A ND1 1 ATOM 1311 C CD2 . HIS A 1 169 ? 48.379 -0.506 21.423 1.00 44.49 ? 1048 HIS A CD2 1 ATOM 1312 C CE1 . HIS A 1 169 ? 50.476 -0.924 21.806 1.00 46.24 ? 1048 HIS A CE1 1 ATOM 1313 N NE2 . HIS A 1 169 ? 49.516 -0.031 22.025 1.00 45.09 ? 1048 HIS A NE2 1 ATOM 1314 N N . GLN A 1 170 ? 47.005 -3.473 23.302 1.00 28.36 ? 1049 GLN A N 1 ATOM 1315 C CA . GLN A 1 170 ? 46.354 -3.077 24.542 1.00 27.19 ? 1049 GLN A CA 1 ATOM 1316 C C . GLN A 1 170 ? 46.767 -1.672 25.000 1.00 33.23 ? 1049 GLN A C 1 ATOM 1317 O O . GLN A 1 170 ? 47.958 -1.345 24.988 1.00 36.11 ? 1049 GLN A O 1 ATOM 1318 C CB . GLN A 1 170 ? 46.696 -4.092 25.625 1.00 29.93 ? 1049 GLN A CB 1 ATOM 1319 C CG . GLN A 1 170 ? 45.826 -4.013 26.871 1.00 19.94 ? 1049 GLN A CG 1 ATOM 1320 C CD . GLN A 1 170 ? 46.286 -4.941 27.951 1.00 35.39 ? 1049 GLN A CD 1 ATOM 1321 O OE1 . GLN A 1 170 ? 45.491 -5.595 28.616 1.00 44.84 ? 1049 GLN A OE1 1 ATOM 1322 N NE2 . GLN A 1 170 ? 47.570 -4.965 28.215 1.00 23.95 ? 1049 GLN A NE2 1 ATOM 1323 N N . ILE A 1 171 ? 45.786 -0.836 25.410 1.00 28.21 ? 1050 ILE A N 1 ATOM 1324 C CA . ILE A 1 171 ? 46.035 0.531 25.892 1.00 26.71 ? 1050 ILE A CA 1 ATOM 1325 C C . ILE A 1 171 ? 45.479 0.643 27.305 1.00 32.03 ? 1050 ILE A C 1 ATOM 1326 O O . ILE A 1 171 ? 44.295 0.417 27.513 1.00 33.15 ? 1050 ILE A O 1 ATOM 1327 C CB . ILE A 1 171 ? 45.483 1.622 24.939 1.00 28.04 ? 1050 ILE A CB 1 ATOM 1328 C CG1 . ILE A 1 171 ? 46.024 1.466 23.494 1.00 27.74 ? 1050 ILE A CG1 1 ATOM 1329 C CG2 . ILE A 1 171 ? 45.742 3.019 25.493 1.00 28.14 ? 1050 ILE A CG2 1 ATOM 1330 C CD1 . ILE A 1 171 ? 45.283 2.321 22.412 1.00 26.64 ? 1050 ILE A CD1 1 ATOM 1331 N N . GLN A 1 172 ? 46.335 0.982 28.268 1.00 29.50 ? 1051 GLN A N 1 ATOM 1332 C CA . GLN A 1 172 ? 45.974 1.114 29.677 1.00 29.42 ? 1051 GLN A CA 1 ATOM 1333 C C . GLN A 1 172 ? 45.873 2.583 30.121 1.00 36.98 ? 1051 GLN A C 1 ATOM 1334 O O . GLN A 1 172 ? 45.996 3.506 29.299 1.00 39.40 ? 1051 GLN A O 1 ATOM 1335 C CB . GLN A 1 172 ? 47.004 0.391 30.551 1.00 31.69 ? 1051 GLN A CB 1 ATOM 1336 C CG . GLN A 1 172 ? 47.557 -0.880 29.958 1.00 26.78 ? 1051 GLN A CG 1 ATOM 1337 C CD . GLN A 1 172 ? 48.829 -1.255 30.606 1.00 44.26 ? 1051 GLN A CD 1 ATOM 1338 O OE1 . GLN A 1 172 ? 48.822 -1.797 31.691 1.00 36.94 ? 1051 GLN A OE1 1 ATOM 1339 N NE2 . GLN A 1 172 ? 49.947 -1.090 29.897 1.00 57.10 ? 1051 GLN A NE2 1 ATOM 1340 N N . GLU A 1 173 ? 45.632 2.786 31.431 1.00 34.12 ? 1052 GLU A N 1 ATOM 1341 C CA . GLU A 1 173 ? 45.523 4.082 32.115 1.00 34.24 ? 1052 GLU A CA 1 ATOM 1342 C C . GLU A 1 173 ? 44.494 5.071 31.509 1.00 35.69 ? 1052 GLU A C 1 ATOM 1343 O O . GLU A 1 173 ? 44.627 6.277 31.666 1.00 36.97 ? 1052 GLU A O 1 ATOM 1344 C CB . GLU A 1 173 ? 46.912 4.730 32.325 1.00 37.86 ? 1052 GLU A CB 1 ATOM 1345 C CG . GLU A 1 173 ? 47.966 3.992 33.163 1.00 49.66 ? 1052 GLU A CG 1 ATOM 1346 C CD . GLU A 1 173 ? 47.590 3.340 34.486 1.00 88.97 ? 1052 GLU A CD 1 ATOM 1347 O OE1 . GLU A 1 173 ? 47.202 2.148 34.461 1.00 111.05 ? 1052 GLU A OE1 1 ATOM 1348 O OE2 . GLU A 1 173 ? 47.787 3.974 35.550 1.00 81.95 ? 1052 GLU A OE2 1 ATOM 1349 N N . LEU A 1 174 ? 43.458 4.560 30.850 1.00 30.99 ? 1053 LEU A N 1 ATOM 1350 C CA . LEU A 1 174 ? 42.395 5.411 30.305 1.00 30.30 ? 1053 LEU A CA 1 ATOM 1351 C C . LEU A 1 174 ? 41.407 5.847 31.406 1.00 33.83 ? 1053 LEU A C 1 ATOM 1352 O O . LEU A 1 174 ? 41.402 5.310 32.509 1.00 32.50 ? 1053 LEU A O 1 ATOM 1353 C CB . LEU A 1 174 ? 41.643 4.739 29.155 1.00 28.78 ? 1053 LEU A CB 1 ATOM 1354 C CG . LEU A 1 174 ? 42.458 4.336 27.942 1.00 32.19 ? 1053 LEU A CG 1 ATOM 1355 C CD1 . LEU A 1 174 ? 41.552 3.895 26.866 1.00 30.57 ? 1053 LEU A CD1 1 ATOM 1356 C CD2 . LEU A 1 174 ? 43.356 5.477 27.425 1.00 35.78 ? 1053 LEU A CD2 1 ATOM 1357 N N . THR A 1 175 ? 40.603 6.840 31.100 1.00 31.69 ? 1054 THR A N 1 ATOM 1358 C CA . THR A 1 175 ? 39.608 7.413 31.997 1.00 32.07 ? 1054 THR A CA 1 ATOM 1359 C C . THR A 1 175 ? 38.270 6.723 31.798 1.00 36.43 ? 1054 THR A C 1 ATOM 1360 O O . THR A 1 175 ? 37.904 6.400 30.669 1.00 37.39 ? 1054 THR A O 1 ATOM 1361 C CB . THR A 1 175 ? 39.551 8.899 31.745 1.00 36.15 ? 1054 THR A CB 1 ATOM 1362 O OG1 . THR A 1 175 ? 40.878 9.428 31.942 1.00 37.30 ? 1054 THR A OG1 1 ATOM 1363 C CG2 . THR A 1 175 ? 38.535 9.592 32.602 1.00 29.59 ? 1054 THR A CG2 1 ATOM 1364 N N . LEU A 1 176 ? 37.551 6.491 32.899 1.00 31.27 ? 1055 LEU A N 1 ATOM 1365 C CA . LEU A 1 176 ? 36.255 5.812 32.913 1.00 28.68 ? 1055 LEU A CA 1 ATOM 1366 C C . LEU A 1 176 ? 35.118 6.708 32.443 1.00 34.16 ? 1055 LEU A C 1 ATOM 1367 O O . LEU A 1 176 ? 35.220 7.935 32.506 1.00 34.67 ? 1055 LEU A O 1 ATOM 1368 C CB . LEU A 1 176 ? 35.970 5.233 34.309 1.00 27.47 ? 1055 LEU A CB 1 ATOM 1369 C CG . LEU A 1 176 ? 36.721 3.964 34.699 1.00 30.28 ? 1055 LEU A CG 1 ATOM 1370 C CD1 . LEU A 1 176 ? 35.870 3.115 35.571 1.00 31.12 ? 1055 LEU A CD1 1 ATOM 1371 C CD2 . LEU A 1 176 ? 37.043 3.095 33.491 1.00 31.38 ? 1055 LEU A CD2 1 ATOM 1372 N N . ASP A 1 177 ? 34.042 6.090 31.954 1.00 32.01 ? 1056 ASP A N 1 ATOM 1373 C CA . ASP A 1 177 ? 32.839 6.761 31.450 1.00 33.88 ? 1056 ASP A CA 1 ATOM 1374 C C . ASP A 1 177 ? 33.181 7.876 30.462 1.00 39.63 ? 1056 ASP A C 1 ATOM 1375 O O . ASP A 1 177 ? 32.685 9.005 30.580 1.00 42.55 ? 1056 ASP A O 1 ATOM 1376 C CB . ASP A 1 177 ? 31.967 7.251 32.620 1.00 36.13 ? 1056 ASP A CB 1 ATOM 1377 C CG . ASP A 1 177 ? 30.530 7.519 32.257 1.00 51.00 ? 1056 ASP A CG 1 ATOM 1378 O OD1 . ASP A 1 177 ? 29.994 6.798 31.377 1.00 51.78 ? 1056 ASP A OD1 1 ATOM 1379 O OD2 . ASP A 1 177 ? 29.930 8.440 32.862 1.00 62.38 ? 1056 ASP A OD2 1 ATOM 1380 N N . THR A 1 178 ? 34.058 7.565 29.501 1.00 33.91 ? 1057 THR A N 1 ATOM 1381 C CA . THR A 1 178 ? 34.539 8.576 28.565 1.00 34.37 ? 1057 THR A CA 1 ATOM 1382 C C . THR A 1 178 ? 34.597 8.069 27.154 1.00 39.69 ? 1057 THR A C 1 ATOM 1383 O O . THR A 1 178 ? 35.219 7.028 26.924 1.00 39.86 ? 1057 THR A O 1 ATOM 1384 C CB . THR A 1 178 ? 35.947 9.070 29.019 1.00 37.57 ? 1057 THR A CB 1 ATOM 1385 O OG1 . THR A 1 178 ? 35.844 9.748 30.272 1.00 40.53 ? 1057 THR A OG1 1 ATOM 1386 C CG2 . THR A 1 178 ? 36.617 9.976 28.018 1.00 31.99 ? 1057 THR A CG2 1 ATOM 1387 N N . PRO A 1 179 ? 34.032 8.814 26.173 1.00 38.19 ? 1058 PRO A N 1 ATOM 1388 C CA . PRO A 1 179 ? 34.222 8.436 24.765 1.00 37.19 ? 1058 PRO A CA 1 ATOM 1389 C C . PRO A 1 179 ? 35.657 8.781 24.317 1.00 40.63 ? 1058 PRO A C 1 ATOM 1390 O O . PRO A 1 179 ? 36.154 9.896 24.520 1.00 42.61 ? 1058 PRO A O 1 ATOM 1391 C CB . PRO A 1 179 ? 33.194 9.300 24.019 1.00 40.61 ? 1058 PRO A CB 1 ATOM 1392 C CG . PRO A 1 179 ? 32.401 9.985 25.065 1.00 46.72 ? 1058 PRO A CG 1 ATOM 1393 C CD . PRO A 1 179 ? 33.266 10.066 26.263 1.00 41.62 ? 1058 PRO A CD 1 ATOM 1394 N N . TYR A 1 180 ? 36.334 7.785 23.771 1.00 34.61 ? 1059 TYR A N 1 ATOM 1395 C CA . TYR A 1 180 ? 37.670 7.871 23.203 1.00 33.88 ? 1059 TYR A CA 1 ATOM 1396 C C . TYR A 1 180 ? 37.474 7.579 21.709 1.00 42.15 ? 1059 TYR A C 1 ATOM 1397 O O . TYR A 1 180 ? 36.527 6.871 21.334 1.00 43.12 ? 1059 TYR A O 1 ATOM 1398 C CB . TYR A 1 180 ? 38.610 6.833 23.849 1.00 32.89 ? 1059 TYR A CB 1 ATOM 1399 C CG . TYR A 1 180 ? 39.279 7.282 25.131 1.00 33.56 ? 1059 TYR A CG 1 ATOM 1400 C CD1 . TYR A 1 180 ? 38.697 7.034 26.369 1.00 34.45 ? 1059 TYR A CD1 1 ATOM 1401 C CD2 . TYR A 1 180 ? 40.525 7.894 25.109 1.00 35.58 ? 1059 TYR A CD2 1 ATOM 1402 C CE1 . TYR A 1 180 ? 39.302 7.461 27.556 1.00 36.25 ? 1059 TYR A CE1 1 ATOM 1403 C CE2 . TYR A 1 180 ? 41.142 8.322 26.282 1.00 39.04 ? 1059 TYR A CE2 1 ATOM 1404 C CZ . TYR A 1 180 ? 40.522 8.116 27.508 1.00 45.20 ? 1059 TYR A CZ 1 ATOM 1405 O OH . TYR A 1 180 ? 41.140 8.537 28.669 1.00 42.43 ? 1059 TYR A OH 1 ATOM 1406 N N . TYR A 1 181 ? 38.351 8.143 20.854 1.00 39.67 ? 1060 TYR A N 1 ATOM 1407 C CA . TYR A 1 181 ? 38.308 8.003 19.393 1.00 38.10 ? 1060 TYR A CA 1 ATOM 1408 C C . TYR A 1 181 ? 39.580 7.361 18.880 1.00 39.45 ? 1060 TYR A C 1 ATOM 1409 O O . TYR A 1 181 ? 40.645 7.623 19.423 1.00 37.22 ? 1060 TYR A O 1 ATOM 1410 C CB . TYR A 1 181 ? 38.038 9.370 18.766 1.00 40.65 ? 1060 TYR A CB 1 ATOM 1411 C CG . TYR A 1 181 ? 36.717 9.941 19.249 1.00 43.39 ? 1060 TYR A CG 1 ATOM 1412 C CD1 . TYR A 1 181 ? 36.644 10.706 20.415 1.00 44.40 ? 1060 TYR A CD1 1 ATOM 1413 C CD2 . TYR A 1 181 ? 35.529 9.662 18.579 1.00 44.91 ? 1060 TYR A CD2 1 ATOM 1414 C CE1 . TYR A 1 181 ? 35.421 11.159 20.905 1.00 45.05 ? 1060 TYR A CE1 1 ATOM 1415 C CE2 . TYR A 1 181 ? 34.305 10.127 19.051 1.00 46.84 ? 1060 TYR A CE2 1 ATOM 1416 C CZ . TYR A 1 181 ? 34.255 10.881 20.208 1.00 49.32 ? 1060 TYR A CZ 1 ATOM 1417 O OH . TYR A 1 181 ? 33.044 11.334 20.650 1.00 46.94 ? 1060 TYR A OH 1 ATOM 1418 N N . PHE A 1 182 ? 39.476 6.475 17.875 1.00 36.38 ? 1061 PHE A N 1 ATOM 1419 C CA . PHE A 1 182 ? 40.640 5.730 17.374 1.00 34.42 ? 1061 PHE A CA 1 ATOM 1420 C C . PHE A 1 182 ? 40.860 5.746 15.876 1.00 43.83 ? 1061 PHE A C 1 ATOM 1421 O O . PHE A 1 182 ? 39.975 5.369 15.103 1.00 47.21 ? 1061 PHE A O 1 ATOM 1422 C CB . PHE A 1 182 ? 40.624 4.286 17.918 1.00 33.78 ? 1061 PHE A CB 1 ATOM 1423 C CG . PHE A 1 182 ? 40.576 4.214 19.432 1.00 34.42 ? 1061 PHE A CG 1 ATOM 1424 C CD1 . PHE A 1 182 ? 39.360 4.250 20.112 1.00 37.18 ? 1061 PHE A CD1 1 ATOM 1425 C CD2 . PHE A 1 182 ? 41.748 4.209 20.181 1.00 36.13 ? 1061 PHE A CD2 1 ATOM 1426 C CE1 . PHE A 1 182 ? 39.322 4.222 21.515 1.00 37.88 ? 1061 PHE A CE1 1 ATOM 1427 C CE2 . PHE A 1 182 ? 41.710 4.225 21.584 1.00 38.24 ? 1061 PHE A CE2 1 ATOM 1428 C CZ . PHE A 1 182 ? 40.500 4.207 22.244 1.00 35.99 ? 1061 PHE A CZ 1 ATOM 1429 N N . LYS A 1 183 ? 42.077 6.133 15.458 1.00 39.73 ? 1062 LYS A N 1 ATOM 1430 C CA . LYS A 1 183 ? 42.501 6.092 14.044 1.00 38.34 ? 1062 LYS A CA 1 ATOM 1431 C C . LYS A 1 183 ? 43.747 5.217 13.989 1.00 39.98 ? 1062 LYS A C 1 ATOM 1432 O O . LYS A 1 183 ? 44.613 5.297 14.875 1.00 40.18 ? 1062 LYS A O 1 ATOM 1433 C CB . LYS A 1 183 ? 42.820 7.499 13.471 1.00 41.19 ? 1062 LYS A CB 1 ATOM 1434 C CG . LYS A 1 183 ? 41.599 8.432 13.296 1.00 40.99 ? 1062 LYS A CG 1 ATOM 1435 C CD . LYS A 1 183 ? 41.924 9.658 12.479 1.00 43.78 ? 1062 LYS A CD 1 ATOM 1436 C CE . LYS A 1 183 ? 41.588 10.967 13.175 1.00 51.95 ? 1062 LYS A CE 1 ATOM 1437 N NZ . LYS A 1 183 ? 41.504 12.154 12.247 1.00 33.94 ? 1062 LYS A NZ 1 ATOM 1438 N N . ILE A 1 184 ? 43.823 4.350 12.992 1.00 34.87 ? 1063 ILE A N 1 ATOM 1439 C CA . ILE A 1 184 ? 44.996 3.498 12.809 1.00 33.72 ? 1063 ILE A CA 1 ATOM 1440 C C . ILE A 1 184 ? 45.505 3.702 11.377 1.00 40.97 ? 1063 ILE A C 1 ATOM 1441 O O . ILE A 1 184 ? 44.707 3.887 10.445 1.00 40.59 ? 1063 ILE A O 1 ATOM 1442 C CB . ILE A 1 184 ? 44.759 1.983 13.141 1.00 35.68 ? 1063 ILE A CB 1 ATOM 1443 C CG1 . ILE A 1 184 ? 43.943 1.790 14.428 1.00 35.90 ? 1063 ILE A CG1 1 ATOM 1444 C CG2 . ILE A 1 184 ? 46.087 1.195 13.208 1.00 35.54 ? 1063 ILE A CG2 1 ATOM 1445 C CD1 . ILE A 1 184 ? 43.648 0.361 14.825 1.00 57.34 ? 1063 ILE A CD1 1 ATOM 1446 N N . GLN A 1 185 ? 46.836 3.665 11.208 1.00 39.55 ? 1064 GLN A N 1 ATOM 1447 C CA . GLN A 1 185 ? 47.468 3.712 9.895 1.00 40.38 ? 1064 GLN A CA 1 ATOM 1448 C C . GLN A 1 185 ? 48.576 2.696 9.802 1.00 47.08 ? 1064 GLN A C 1 ATOM 1449 O O . GLN A 1 185 ? 49.228 2.395 10.803 1.00 47.94 ? 1064 GLN A O 1 ATOM 1450 C CB . GLN A 1 185 ? 47.919 5.108 9.495 1.00 42.10 ? 1064 GLN A CB 1 ATOM 1451 C CG . GLN A 1 185 ? 49.091 5.698 10.261 1.00 48.64 ? 1064 GLN A CG 1 ATOM 1452 C CD . GLN A 1 185 ? 49.585 6.958 9.578 1.00 62.20 ? 1064 GLN A CD 1 ATOM 1453 O OE1 . GLN A 1 185 ? 50.259 7.792 10.203 1.00 58.00 ? 1064 GLN A OE1 1 ATOM 1454 N NE2 . GLN A 1 185 ? 49.283 7.121 8.276 1.00 42.67 ? 1064 GLN A NE2 1 ATOM 1455 N N . ALA A 1 186 ? 48.742 2.118 8.616 1.00 44.16 ? 1065 ALA A N 1 ATOM 1456 C CA . ALA A 1 186 ? 49.750 1.101 8.349 1.00 43.84 ? 1065 ALA A CA 1 ATOM 1457 C C . ALA A 1 186 ? 51.052 1.696 7.803 1.00 48.19 ? 1065 ALA A C 1 ATOM 1458 O O . ALA A 1 186 ? 51.063 2.757 7.168 1.00 47.69 ? 1065 ALA A O 1 ATOM 1459 C CB . ALA A 1 186 ? 49.198 0.093 7.356 1.00 45.10 ? 1065 ALA A CB 1 ATOM 1460 N N . ARG A 1 187 ? 52.144 0.990 8.038 1.00 45.72 ? 1066 ARG A N 1 ATOM 1461 C CA . ARG A 1 187 ? 53.470 1.356 7.550 1.00 47.13 ? 1066 ARG A CA 1 ATOM 1462 C C . ARG A 1 187 ? 54.100 0.163 6.866 1.00 53.35 ? 1066 ARG A C 1 ATOM 1463 O O . ARG A 1 187 ? 53.881 -0.982 7.282 1.00 56.32 ? 1066 ARG A O 1 ATOM 1464 C CB . ARG A 1 187 ? 54.377 1.770 8.730 1.00 50.37 ? 1066 ARG A CB 1 ATOM 1465 C CG . ARG A 1 187 ? 55.701 2.411 8.269 1.00 68.84 ? 1066 ARG A CG 1 ATOM 1466 C CD . ARG A 1 187 ? 56.822 2.138 9.240 1.00 86.85 ? 1066 ARG A CD 1 ATOM 1467 N NE . ARG A 1 187 ? 56.669 2.881 10.493 1.00 98.07 ? 1066 ARG A NE 1 ATOM 1468 C CZ . ARG A 1 187 ? 57.181 4.089 10.713 1.00 120.80 ? 1066 ARG A CZ 1 ATOM 1469 N NH1 . ARG A 1 187 ? 57.887 4.702 9.768 1.00 112.72 ? 1066 ARG A NH1 1 ATOM 1470 N NH2 . ARG A 1 187 ? 56.991 4.694 11.880 1.00 109.12 ? 1066 ARG A NH2 1 ATOM 1471 N N . ASN A 1 188 ? 54.920 0.428 5.860 1.00 48.97 ? 1067 ASN A N 1 ATOM 1472 C CA . ASN A 1 188 ? 55.756 -0.561 5.184 1.00 50.15 ? 1067 ASN A CA 1 ATOM 1473 C C . ASN A 1 188 ? 57.074 0.140 4.845 1.00 58.51 ? 1067 ASN A C 1 ATOM 1474 O O . ASN A 1 188 ? 57.187 1.360 5.073 1.00 58.70 ? 1067 ASN A O 1 ATOM 1475 C CB . ASN A 1 188 ? 55.065 -1.208 3.978 1.00 44.65 ? 1067 ASN A CB 1 ATOM 1476 C CG . ASN A 1 188 ? 54.874 -0.334 2.779 1.00 51.94 ? 1067 ASN A CG 1 ATOM 1477 O OD1 . ASN A 1 188 ? 55.634 0.587 2.516 1.00 47.33 ? 1067 ASN A OD1 1 ATOM 1478 N ND2 . ASN A 1 188 ? 53.898 -0.658 1.969 1.00 44.82 ? 1067 ASN A ND2 1 ATOM 1479 N N . SER A 1 189 ? 58.069 -0.605 4.318 1.00 57.24 ? 1068 SER A N 1 ATOM 1480 C CA . SER A 1 189 ? 59.381 -0.034 3.969 1.00 58.15 ? 1068 SER A CA 1 ATOM 1481 C C . SER A 1 189 ? 59.338 1.278 3.128 1.00 57.63 ? 1068 SER A C 1 ATOM 1482 O O . SER A 1 189 ? 60.254 2.092 3.232 1.00 58.47 ? 1068 SER A O 1 ATOM 1483 C CB . SER A 1 189 ? 60.255 -1.085 3.286 1.00 66.80 ? 1068 SER A CB 1 ATOM 1484 O OG . SER A 1 189 ? 59.994 -1.222 1.894 1.00 85.08 ? 1068 SER A OG 1 ATOM 1485 N N . LYS A 1 190 ? 58.297 1.460 2.290 1.00 50.38 ? 1069 LYS A N 1 ATOM 1486 C CA . LYS A 1 190 ? 58.160 2.607 1.386 1.00 48.31 ? 1069 LYS A CA 1 ATOM 1487 C C . LYS A 1 190 ? 57.509 3.855 2.009 1.00 54.07 ? 1069 LYS A C 1 ATOM 1488 O O . LYS A 1 190 ? 57.692 4.941 1.469 1.00 55.02 ? 1069 LYS A O 1 ATOM 1489 C CB . LYS A 1 190 ? 57.525 2.197 0.037 1.00 47.89 ? 1069 LYS A CB 1 ATOM 1490 C CG . LYS A 1 190 ? 58.458 1.374 -0.899 1.00 41.84 ? 1069 LYS A CG 1 ATOM 1491 C CD . LYS A 1 190 ? 59.355 2.200 -1.838 1.00 43.28 ? 1069 LYS A CD 1 ATOM 1492 C CE . LYS A 1 190 ? 60.218 1.366 -2.808 1.00 54.43 ? 1069 LYS A CE 1 ATOM 1493 N NZ . LYS A 1 190 ? 59.952 1.592 -4.298 1.00 52.93 ? 1069 LYS A NZ 1 ATOM 1494 N N . GLY A 1 191 ? 56.830 3.708 3.161 1.00 51.07 ? 1070 GLY A N 1 ATOM 1495 C CA . GLY A 1 191 ? 56.193 4.806 3.896 1.00 49.92 ? 1070 GLY A CA 1 ATOM 1496 C C . GLY A 1 191 ? 54.898 4.465 4.608 1.00 53.51 ? 1070 GLY A C 1 ATOM 1497 O O . GLY A 1 191 ? 54.639 3.292 4.884 1.00 52.21 ? 1070 GLY A O 1 ATOM 1498 N N . MET A 1 192 ? 54.090 5.510 4.948 1.00 51.70 ? 1071 MET A N 1 ATOM 1499 C CA . MET A 1 192 ? 52.797 5.384 5.664 1.00 50.74 ? 1071 MET A CA 1 ATOM 1500 C C . MET A 1 192 ? 51.638 5.393 4.702 1.00 53.56 ? 1071 MET A C 1 ATOM 1501 O O . MET A 1 192 ? 51.664 6.117 3.716 1.00 56.16 ? 1071 MET A O 1 ATOM 1502 C CB . MET A 1 192 ? 52.545 6.525 6.668 1.00 53.52 ? 1071 MET A CB 1 ATOM 1503 C CG . MET A 1 192 ? 53.649 6.799 7.645 1.00 59.33 ? 1071 MET A CG 1 ATOM 1504 S SD . MET A 1 192 ? 54.089 5.533 8.854 1.00 65.70 ? 1071 MET A SD 1 ATOM 1505 C CE . MET A 1 192 ? 52.465 4.859 9.414 1.00 60.93 ? 1071 MET A CE 1 ATOM 1506 N N . GLY A 1 193 ? 50.597 4.664 5.037 1.00 46.59 ? 1072 GLY A N 1 ATOM 1507 C CA . GLY A 1 193 ? 49.393 4.635 4.231 1.00 45.30 ? 1072 GLY A CA 1 ATOM 1508 C C . GLY A 1 193 ? 48.287 5.464 4.840 1.00 46.47 ? 1072 GLY A C 1 ATOM 1509 O O . GLY A 1 193 ? 48.500 6.147 5.853 1.00 45.41 ? 1072 GLY A O 1 ATOM 1510 N N . PRO A 1 194 ? 47.090 5.467 4.202 1.00 42.49 ? 1073 PRO A N 1 ATOM 1511 C CA . PRO A 1 194 ? 45.959 6.228 4.774 1.00 42.09 ? 1073 PRO A CA 1 ATOM 1512 C C . PRO A 1 194 ? 45.487 5.728 6.145 1.00 47.32 ? 1073 PRO A C 1 ATOM 1513 O O . PRO A 1 194 ? 45.750 4.583 6.516 1.00 48.82 ? 1073 PRO A O 1 ATOM 1514 C CB . PRO A 1 194 ? 44.863 6.059 3.727 1.00 44.36 ? 1073 PRO A CB 1 ATOM 1515 C CG . PRO A 1 194 ? 45.185 4.820 3.029 1.00 48.40 ? 1073 PRO A CG 1 ATOM 1516 C CD . PRO A 1 194 ? 46.675 4.725 2.990 1.00 43.58 ? 1073 PRO A CD 1 ATOM 1517 N N . MET A 1 195 ? 44.770 6.584 6.873 1.00 44.63 ? 1074 MET A N 1 ATOM 1518 C CA . MET A 1 195 ? 44.224 6.257 8.185 1.00 44.42 ? 1074 MET A CA 1 ATOM 1519 C C . MET A 1 195 ? 42.822 5.775 8.105 1.00 50.26 ? 1074 MET A C 1 ATOM 1520 O O . MET A 1 195 ? 42.056 6.236 7.258 1.00 51.94 ? 1074 MET A O 1 ATOM 1521 C CB . MET A 1 195 ? 44.218 7.463 9.123 1.00 46.97 ? 1074 MET A CB 1 ATOM 1522 C CG . MET A 1 195 ? 45.566 7.905 9.461 1.00 51.66 ? 1074 MET A CG 1 ATOM 1523 S SD . MET A 1 195 ? 45.485 8.747 10.986 1.00 58.04 ? 1074 MET A SD 1 ATOM 1524 C CE . MET A 1 195 ? 46.782 9.940 10.725 1.00 57.26 ? 1074 MET A CE 1 ATOM 1525 N N . SER A 1 196 ? 42.449 4.909 9.059 1.00 45.34 ? 1075 SER A N 1 ATOM 1526 C CA . SER A 1 196 ? 41.093 4.431 9.194 1.00 44.30 ? 1075 SER A CA 1 ATOM 1527 C C . SER A 1 196 ? 40.162 5.636 9.576 1.00 49.93 ? 1075 SER A C 1 ATOM 1528 O O . SER A 1 196 ? 40.630 6.705 10.007 1.00 48.93 ? 1075 SER A O 1 ATOM 1529 C CB . SER A 1 196 ? 41.051 3.374 10.286 1.00 41.95 ? 1075 SER A CB 1 ATOM 1530 O OG . SER A 1 196 ? 41.310 3.977 11.540 1.00 47.85 ? 1075 SER A OG 1 ATOM 1531 N N . GLU A 1 197 ? 38.856 5.458 9.388 1.00 47.53 ? 1076 GLU A N 1 ATOM 1532 C CA . GLU A 1 197 ? 37.871 6.418 9.840 1.00 48.12 ? 1076 GLU A CA 1 ATOM 1533 C C . GLU A 1 197 ? 37.820 6.153 11.345 1.00 48.46 ? 1076 GLU A C 1 ATOM 1534 O O . GLU A 1 197 ? 37.907 4.986 11.778 1.00 46.06 ? 1076 GLU A O 1 ATOM 1535 C CB . GLU A 1 197 ? 36.496 6.129 9.238 1.00 52.26 ? 1076 GLU A CB 1 ATOM 1536 C CG . GLU A 1 197 ? 36.235 6.880 7.946 1.00 69.86 ? 1076 GLU A CG 1 ATOM 1537 C CD . GLU A 1 197 ? 34.800 6.793 7.458 1.00 97.21 ? 1076 GLU A CD 1 ATOM 1538 O OE1 . GLU A 1 197 ? 33.873 6.812 8.304 1.00 78.54 ? 1076 GLU A OE1 1 ATOM 1539 O OE2 . GLU A 1 197 ? 34.604 6.713 6.220 1.00 97.07 ? 1076 GLU A OE2 1 ATOM 1540 N N . ALA A 1 198 ? 37.751 7.231 12.139 1.00 43.55 ? 1077 ALA A N 1 ATOM 1541 C CA . ALA A 1 198 ? 37.742 7.115 13.582 1.00 41.22 ? 1077 ALA A CA 1 ATOM 1542 C C . ALA A 1 198 ? 36.587 6.272 14.071 1.00 46.47 ? 1077 ALA A C 1 ATOM 1543 O O . ALA A 1 198 ? 35.480 6.380 13.542 1.00 48.75 ? 1077 ALA A O 1 ATOM 1544 C CB . ALA A 1 198 ? 37.707 8.474 14.225 1.00 42.94 ? 1077 ALA A CB 1 ATOM 1545 N N . VAL A 1 199 ? 36.890 5.369 15.026 1.00 40.77 ? 1078 VAL A N 1 ATOM 1546 C CA . VAL A 1 199 ? 35.982 4.443 15.683 1.00 39.99 ? 1078 VAL A CA 1 ATOM 1547 C C . VAL A 1 199 ? 35.855 4.972 17.090 1.00 43.01 ? 1078 VAL A C 1 ATOM 1548 O O . VAL A 1 199 ? 36.868 5.317 17.717 1.00 41.05 ? 1078 VAL A O 1 ATOM 1549 C CB . VAL A 1 199 ? 36.555 2.994 15.656 1.00 43.11 ? 1078 VAL A CB 1 ATOM 1550 C CG1 . VAL A 1 199 ? 36.056 2.143 16.824 1.00 42.74 ? 1078 VAL A CG1 1 ATOM 1551 C CG2 . VAL A 1 199 ? 36.247 2.311 14.345 1.00 44.32 ? 1078 VAL A CG2 1 ATOM 1552 N N . GLN A 1 200 ? 34.618 5.041 17.594 1.00 41.44 ? 1079 GLN A N 1 ATOM 1553 C CA . GLN A 1 200 ? 34.401 5.514 18.952 1.00 40.88 ? 1079 GLN A CA 1 ATOM 1554 C C . GLN A 1 200 ? 34.167 4.389 19.957 1.00 43.76 ? 1079 GLN A C 1 ATOM 1555 O O . GLN A 1 200 ? 33.502 3.394 19.647 1.00 45.62 ? 1079 GLN A O 1 ATOM 1556 C CB . GLN A 1 200 ? 33.365 6.659 19.007 1.00 44.00 ? 1079 GLN A CB 1 ATOM 1557 C CG . GLN A 1 200 ? 32.094 6.402 19.808 1.00 56.02 ? 1079 GLN A CG 1 ATOM 1558 C CD . GLN A 1 200 ? 31.475 7.690 20.279 1.00 72.43 ? 1079 GLN A CD 1 ATOM 1559 O OE1 . GLN A 1 200 ? 31.679 8.117 21.413 1.00 59.48 ? 1079 GLN A OE1 1 ATOM 1560 N NE2 . GLN A 1 200 ? 30.690 8.334 19.427 1.00 70.18 ? 1079 GLN A NE2 1 ATOM 1561 N N . PHE A 1 201 ? 34.725 4.551 21.159 1.00 35.47 ? 1080 PHE A N 1 ATOM 1562 C CA . PHE A 1 201 ? 34.513 3.607 22.247 1.00 31.55 ? 1080 PHE A CA 1 ATOM 1563 C C . PHE A 1 201 ? 34.328 4.378 23.560 1.00 35.84 ? 1080 PHE A C 1 ATOM 1564 O O . PHE A 1 201 ? 35.160 5.230 23.890 1.00 34.89 ? 1080 PHE A O 1 ATOM 1565 C CB . PHE A 1 201 ? 35.674 2.624 22.348 1.00 29.83 ? 1080 PHE A CB 1 ATOM 1566 C CG . PHE A 1 201 ? 35.505 1.579 23.421 1.00 29.54 ? 1080 PHE A CG 1 ATOM 1567 C CD1 . PHE A 1 201 ? 34.801 0.403 23.168 1.00 33.75 ? 1080 PHE A CD1 1 ATOM 1568 C CD2 . PHE A 1 201 ? 36.055 1.759 24.687 1.00 27.78 ? 1080 PHE A CD2 1 ATOM 1569 C CE1 . PHE A 1 201 ? 34.628 -0.556 24.173 1.00 33.23 ? 1080 PHE A CE1 1 ATOM 1570 C CE2 . PHE A 1 201 ? 35.878 0.801 25.687 1.00 28.96 ? 1080 PHE A CE2 1 ATOM 1571 C CZ . PHE A 1 201 ? 35.186 -0.354 25.423 1.00 28.21 ? 1080 PHE A CZ 1 ATOM 1572 N N . ARG A 1 202 ? 33.241 4.086 24.309 1.00 32.67 ? 1081 ARG A N 1 ATOM 1573 C CA . ARG A 1 202 ? 33.076 4.721 25.609 1.00 32.94 ? 1081 ARG A CA 1 ATOM 1574 C C . ARG A 1 202 ? 33.494 3.733 26.662 1.00 36.27 ? 1081 ARG A C 1 ATOM 1575 O O . ARG A 1 202 ? 32.966 2.616 26.710 1.00 36.83 ? 1081 ARG A O 1 ATOM 1576 C CB . ARG A 1 202 ? 31.647 5.192 25.872 1.00 38.34 ? 1081 ARG A CB 1 ATOM 1577 C CG . ARG A 1 202 ? 31.588 6.293 26.917 1.00 53.56 ? 1081 ARG A CG 1 ATOM 1578 C CD . ARG A 1 202 ? 30.241 6.356 27.592 1.00 65.46 ? 1081 ARG A CD 1 ATOM 1579 N NE . ARG A 1 202 ? 30.213 7.385 28.634 1.00 65.21 ? 1081 ARG A NE 1 ATOM 1580 C CZ . ARG A 1 202 ? 29.790 8.630 28.444 1.00 65.05 ? 1081 ARG A CZ 1 ATOM 1581 N NH1 . ARG A 1 202 ? 29.355 9.015 27.252 1.00 36.34 ? 1081 ARG A NH1 1 ATOM 1582 N NH2 . ARG A 1 202 ? 29.816 9.505 29.442 1.00 56.45 ? 1081 ARG A NH2 1 ATOM 1583 N N . THR A 1 203 ? 34.473 4.132 27.486 1.00 31.20 ? 1082 THR A N 1 ATOM 1584 C CA . THR A 1 203 ? 34.983 3.322 28.582 1.00 30.36 ? 1082 THR A CA 1 ATOM 1585 C C . THR A 1 203 ? 33.869 3.130 29.625 1.00 38.08 ? 1082 THR A C 1 ATOM 1586 O O . THR A 1 203 ? 33.009 4.014 29.785 1.00 37.73 ? 1082 THR A O 1 ATOM 1587 C CB . THR A 1 203 ? 36.204 3.987 29.206 1.00 34.23 ? 1082 THR A CB 1 ATOM 1588 O OG1 . THR A 1 203 ? 35.875 5.336 29.521 1.00 31.91 ? 1082 THR A OG1 1 ATOM 1589 C CG2 . THR A 1 203 ? 37.432 3.923 28.310 1.00 30.76 ? 1082 THR A CG2 1 ATOM 1590 N N . PRO A 1 204 ? 33.830 1.969 30.313 1.00 37.22 ? 1083 PRO A N 1 ATOM 1591 C CA . PRO A 1 204 ? 32.742 1.740 31.273 1.00 38.23 ? 1083 PRO A CA 1 ATOM 1592 C C . PRO A 1 204 ? 32.757 2.656 32.487 1.00 41.63 ? 1083 PRO A C 1 ATOM 1593 O O . PRO A 1 204 ? 33.706 3.405 32.717 1.00 40.37 ? 1083 PRO A O 1 ATOM 1594 C CB . PRO A 1 204 ? 32.887 0.255 31.640 1.00 39.19 ? 1083 PRO A CB 1 ATOM 1595 C CG . PRO A 1 204 ? 34.283 -0.053 31.379 1.00 41.94 ? 1083 PRO A CG 1 ATOM 1596 C CD . PRO A 1 204 ? 34.727 0.797 30.236 1.00 37.56 ? 1083 PRO A CD 1 ATOM 1597 N N . GLY A 1 205 ? 31.631 2.654 33.170 1.00 38.62 ? 1084 GLY A N 1 ATOM 1598 C CA . GLY A 1 205 ? 31.425 3.407 34.382 1.00 38.84 ? 1084 GLY A CA 1 ATOM 1599 C C . GLY A 1 205 ? 31.440 2.416 35.516 1.00 45.64 ? 1084 GLY A C 1 ATOM 1600 O O . GLY A 1 205 ? 31.255 1.216 35.304 1.00 45.26 ? 1084 GLY A O 1 ATOM 1601 N N . THR A 1 206 ? 31.723 2.903 36.704 1.00 45.45 ? 1085 THR A N 1 ATOM 1602 C CA . THR A 1 206 ? 31.794 2.111 37.913 1.00 45.83 ? 1085 THR A CA 1 ATOM 1603 C C . THR A 1 206 ? 30.421 2.097 38.583 1.00 51.65 ? 1085 THR A C 1 ATOM 1604 O O . THR A 1 206 ? 29.701 3.097 38.504 1.00 50.33 ? 1085 THR A O 1 ATOM 1605 C CB . THR A 1 206 ? 32.959 2.603 38.797 1.00 60.05 ? 1085 THR A CB 1 ATOM 1606 O OG1 . THR A 1 206 ? 32.810 2.018 40.077 1.00 71.97 ? 1085 THR A OG1 1 ATOM 1607 C CG2 . THR A 1 206 ? 33.016 4.130 38.960 1.00 57.17 ? 1085 THR A CG2 1 ATOM 1608 N N . LYS A 1 207 ? 30.056 0.962 39.233 1.00 52.31 ? 1086 LYS A N 1 ATOM 1609 C CA . LYS A 1 207 ? 28.765 0.815 39.912 1.00 54.51 ? 1086 LYS A CA 1 ATOM 1610 C C . LYS A 1 207 ? 28.692 1.196 41.380 1.00 63.33 ? 1086 LYS A C 1 ATOM 1611 O O . LYS A 1 207 ? 27.927 2.131 41.686 1.00 67.82 ? 1086 LYS A O 1 ATOM 1612 C CB . LYS A 1 207 ? 28.018 -0.490 39.604 1.00 56.56 ? 1086 LYS A CB 1 ATOM 1613 C CG . LYS A 1 207 ? 26.499 -0.285 39.371 1.00 69.61 ? 1086 LYS A CG 1 ATOM 1614 C CD . LYS A 1 207 ? 25.631 -0.170 40.669 1.00 78.45 ? 1086 LYS A CD 1 ATOM 1615 C CE . LYS A 1 207 ? 24.210 0.303 40.415 1.00 87.42 ? 1086 LYS A CE 1 ATOM 1616 N NZ . LYS A 1 207 ? 23.471 0.605 41.678 1.00 88.46 ? 1086 LYS A NZ 1 ATOM 1617 N N . HIS A 1 208 ? 29.435 0.498 42.291 1.00 56.83 ? 1087 HIS A N 1 ATOM 1618 C CA . HIS A 1 208 ? 29.417 0.752 43.762 1.00 66.52 ? 1087 HIS A CA 1 ATOM 1619 C C . HIS A 1 208 ? 28.237 0.064 44.466 1.00 85.73 ? 1087 HIS A C 1 ATOM 1620 O O . HIS A 1 208 ? 28.326 -0.267 45.652 1.00 51.63 ? 1087 HIS A O 1 ATOM 1621 C CB . HIS A 1 208 ? 29.438 2.260 44.149 1.00 67.44 ? 1087 HIS A CB 1 ATOM 1622 C CG . HIS A 1 208 ? 30.560 3.058 43.552 1.00 70.04 ? 1087 HIS A CG 1 ATOM 1623 N ND1 . HIS A 1 208 ? 31.801 3.134 44.165 1.00 71.52 ? 1087 HIS A ND1 1 ATOM 1624 C CD2 . HIS A 1 208 ? 30.582 3.815 42.431 1.00 71.39 ? 1087 HIS A CD2 1 ATOM 1625 C CE1 . HIS A 1 208 ? 32.543 3.897 43.378 1.00 70.31 ? 1087 HIS A CE1 1 ATOM 1626 N NE2 . HIS A 1 208 ? 31.851 4.336 42.328 1.00 70.63 ? 1087 HIS A NE2 1 ATOM 1627 N N . PRO B 1 5 ? 76.459 7.303 3.593 1.00 119.61 ? 884 PRO B N 1 ATOM 1628 C CA . PRO B 1 5 ? 75.927 8.258 2.616 1.00 119.21 ? 884 PRO B CA 1 ATOM 1629 C C . PRO B 1 5 ? 75.766 7.683 1.203 1.00 120.64 ? 884 PRO B C 1 ATOM 1630 O O . PRO B 1 5 ? 75.540 8.458 0.272 1.00 120.97 ? 884 PRO B O 1 ATOM 1631 C CB . PRO B 1 5 ? 76.966 9.394 2.643 1.00 126.07 ? 884 PRO B CB 1 ATOM 1632 C CG . PRO B 1 5 ? 78.197 8.826 3.283 1.00 132.76 ? 884 PRO B CG 1 ATOM 1633 C CD . PRO B 1 5 ? 77.685 7.806 4.244 1.00 126.51 ? 884 PRO B CD 1 ATOM 1634 N N . MET B 1 6 ? 75.866 6.339 1.045 1.00 114.09 ? 885 MET B N 1 ATOM 1635 C CA . MET B 1 6 ? 75.879 5.614 -0.241 1.00 110.55 ? 885 MET B CA 1 ATOM 1636 C C . MET B 1 6 ? 74.545 5.106 -0.823 1.00 114.07 ? 885 MET B C 1 ATOM 1637 O O . MET B 1 6 ? 73.771 4.450 -0.122 1.00 110.73 ? 885 MET B O 1 ATOM 1638 C CB . MET B 1 6 ? 76.978 4.514 -0.282 1.00 112.01 ? 885 MET B CB 1 ATOM 1639 C CG . MET B 1 6 ? 77.451 4.031 1.119 1.00 117.26 ? 885 MET B CG 1 ATOM 1640 S SD . MET B 1 6 ? 78.862 2.878 1.162 1.00 121.60 ? 885 MET B SD 1 ATOM 1641 C CE . MET B 1 6 ? 79.180 2.776 2.933 1.00 121.92 ? 885 MET B CE 1 ATOM 1642 N N . MET B 1 7 ? 74.311 5.373 -2.129 1.00 113.44 ? 886 MET B N 1 ATOM 1643 C CA . MET B 1 7 ? 73.120 4.890 -2.840 1.00 111.12 ? 886 MET B CA 1 ATOM 1644 C C . MET B 1 7 ? 73.311 3.407 -3.234 1.00 108.93 ? 886 MET B C 1 ATOM 1645 O O . MET B 1 7 ? 74.426 3.032 -3.627 1.00 108.50 ? 886 MET B O 1 ATOM 1646 C CB . MET B 1 7 ? 72.700 5.794 -4.031 1.00 114.83 ? 886 MET B CB 1 ATOM 1647 C CG . MET B 1 7 ? 73.809 6.077 -5.056 1.00 121.86 ? 886 MET B CG 1 ATOM 1648 S SD . MET B 1 7 ? 73.206 6.778 -6.634 1.00 126.28 ? 886 MET B SD 1 ATOM 1649 C CE . MET B 1 7 ? 73.182 8.530 -6.234 1.00 127.99 ? 886 MET B CE 1 ATOM 1650 N N . PRO B 1 8 ? 72.274 2.532 -3.066 1.00 100.65 ? 887 PRO B N 1 ATOM 1651 C CA . PRO B 1 8 ? 72.482 1.097 -3.329 1.00 96.94 ? 887 PRO B CA 1 ATOM 1652 C C . PRO B 1 8 ? 72.492 0.742 -4.804 1.00 97.62 ? 887 PRO B C 1 ATOM 1653 O O . PRO B 1 8 ? 72.005 1.539 -5.617 1.00 98.96 ? 887 PRO B O 1 ATOM 1654 C CB . PRO B 1 8 ? 71.311 0.415 -2.590 1.00 95.93 ? 887 PRO B CB 1 ATOM 1655 C CG . PRO B 1 8 ? 70.548 1.501 -1.903 1.00 102.19 ? 887 PRO B CG 1 ATOM 1656 C CD . PRO B 1 8 ? 70.897 2.779 -2.596 1.00 100.31 ? 887 PRO B CD 1 ATOM 1657 N N . PRO B 1 9 ? 72.977 -0.462 -5.186 1.00 88.76 ? 888 PRO B N 1 ATOM 1658 C CA . PRO B 1 9 ? 72.931 -0.835 -6.609 1.00 85.07 ? 888 PRO B CA 1 ATOM 1659 C C . PRO B 1 9 ? 71.494 -0.924 -7.143 1.00 82.31 ? 888 PRO B C 1 ATOM 1660 O O . PRO B 1 9 ? 70.526 -1.129 -6.393 1.00 79.30 ? 888 PRO B O 1 ATOM 1661 C CB . PRO B 1 9 ? 73.672 -2.175 -6.653 1.00 85.76 ? 888 PRO B CB 1 ATOM 1662 C CG . PRO B 1 9 ? 74.434 -2.256 -5.359 1.00 92.80 ? 888 PRO B CG 1 ATOM 1663 C CD . PRO B 1 9 ? 73.584 -1.533 -4.371 1.00 89.63 ? 888 PRO B CD 1 ATOM 1664 N N . VAL B 1 10 ? 71.364 -0.662 -8.442 1.00 76.61 ? 889 VAL B N 1 ATOM 1665 C CA . VAL B 1 10 ? 70.079 -0.647 -9.141 1.00 72.74 ? 889 VAL B CA 1 ATOM 1666 C C . VAL B 1 10 ? 70.070 -1.679 -10.284 1.00 73.46 ? 889 VAL B C 1 ATOM 1667 O O . VAL B 1 10 ? 71.104 -2.297 -10.554 1.00 75.40 ? 889 VAL B O 1 ATOM 1668 C CB . VAL B 1 10 ? 69.682 0.786 -9.597 1.00 77.08 ? 889 VAL B CB 1 ATOM 1669 C CG1 . VAL B 1 10 ? 69.649 1.754 -8.416 1.00 79.16 ? 889 VAL B CG1 1 ATOM 1670 C CG2 . VAL B 1 10 ? 70.600 1.299 -10.702 1.00 78.62 ? 889 VAL B CG2 1 ATOM 1671 N N . GLY B 1 11 ? 68.914 -1.881 -10.913 1.00 63.72 ? 890 GLY B N 1 ATOM 1672 C CA . GLY B 1 11 ? 68.785 -2.819 -12.020 1.00 60.08 ? 890 GLY B CA 1 ATOM 1673 C C . GLY B 1 11 ? 69.477 -4.149 -11.795 1.00 62.78 ? 890 GLY B C 1 ATOM 1674 O O . GLY B 1 11 ? 70.242 -4.605 -12.657 1.00 63.59 ? 890 GLY B O 1 ATOM 1675 N N . VAL B 1 12 ? 69.235 -4.764 -10.608 1.00 56.22 ? 891 VAL B N 1 ATOM 1676 C CA . VAL B 1 12 ? 69.795 -6.072 -10.255 1.00 53.71 ? 891 VAL B CA 1 ATOM 1677 C C . VAL B 1 12 ? 69.052 -7.135 -11.079 1.00 56.05 ? 891 VAL B C 1 ATOM 1678 O O . VAL B 1 12 ? 67.814 -7.107 -11.132 1.00 55.61 ? 891 VAL B O 1 ATOM 1679 C CB . VAL B 1 12 ? 69.750 -6.369 -8.735 1.00 55.81 ? 891 VAL B CB 1 ATOM 1680 C CG1 . VAL B 1 12 ? 70.499 -7.656 -8.412 1.00 53.99 ? 891 VAL B CG1 1 ATOM 1681 C CG2 . VAL B 1 12 ? 70.321 -5.205 -7.934 1.00 59.10 ? 891 VAL B CG2 1 ATOM 1682 N N . GLN B 1 13 ? 69.811 -8.007 -11.791 1.00 50.78 ? 892 GLN B N 1 ATOM 1683 C CA . GLN B 1 13 ? 69.242 -9.070 -12.620 1.00 47.52 ? 892 GLN B CA 1 ATOM 1684 C C . GLN B 1 13 ? 69.961 -10.385 -12.448 1.00 51.61 ? 892 GLN B C 1 ATOM 1685 O O . GLN B 1 13 ? 71.171 -10.412 -12.197 1.00 53.89 ? 892 GLN B O 1 ATOM 1686 C CB . GLN B 1 13 ? 69.243 -8.702 -14.110 1.00 48.84 ? 892 GLN B CB 1 ATOM 1687 C CG . GLN B 1 13 ? 68.301 -7.574 -14.494 1.00 65.24 ? 892 GLN B CG 1 ATOM 1688 C CD . GLN B 1 13 ? 68.331 -7.355 -15.981 1.00 74.75 ? 892 GLN B CD 1 ATOM 1689 O OE1 . GLN B 1 13 ? 67.533 -7.916 -16.716 1.00 64.61 ? 892 GLN B OE1 1 ATOM 1690 N NE2 . GLN B 1 13 ? 69.301 -6.589 -16.467 1.00 73.55 ? 892 GLN B NE2 1 ATOM 1691 N N . ALA B 1 14 ? 69.209 -11.485 -12.624 1.00 45.67 ? 893 ALA B N 1 ATOM 1692 C CA . ALA B 1 14 ? 69.737 -12.842 -12.570 1.00 45.12 ? 893 ALA B CA 1 ATOM 1693 C C . ALA B 1 14 ? 69.725 -13.428 -13.982 1.00 49.82 ? 893 ALA B C 1 ATOM 1694 O O . ALA B 1 14 ? 68.749 -13.215 -14.730 1.00 48.22 ? 893 ALA B O 1 ATOM 1695 C CB . ALA B 1 14 ? 68.887 -13.697 -11.648 1.00 43.82 ? 893 ALA B CB 1 ATOM 1696 N N . SER B 1 15 ? 70.806 -14.159 -14.348 1.00 47.00 ? 894 SER B N 1 ATOM 1697 C CA . SER B 1 15 ? 70.899 -14.850 -15.631 1.00 46.20 ? 894 SER B CA 1 ATOM 1698 C C . SER B 1 15 ? 71.140 -16.319 -15.353 1.00 46.96 ? 894 SER B C 1 ATOM 1699 O O . SER B 1 15 ? 72.153 -16.670 -14.741 1.00 48.60 ? 894 SER B O 1 ATOM 1700 C CB . SER B 1 15 ? 72.020 -14.277 -16.489 1.00 55.06 ? 894 SER B CB 1 ATOM 1701 O OG . SER B 1 15 ? 71.930 -14.844 -17.789 1.00 65.40 ? 894 SER B OG 1 ATOM 1702 N N . ILE B 1 16 ? 70.208 -17.183 -15.776 1.00 39.76 ? 895 ILE B N 1 ATOM 1703 C CA . ILE B 1 16 ? 70.341 -18.622 -15.487 1.00 37.79 ? 895 ILE B CA 1 ATOM 1704 C C . ILE B 1 16 ? 71.260 -19.266 -16.479 1.00 44.33 ? 895 ILE B C 1 ATOM 1705 O O . ILE B 1 16 ? 70.908 -19.403 -17.667 1.00 42.44 ? 895 ILE B O 1 ATOM 1706 C CB . ILE B 1 16 ? 69.003 -19.403 -15.285 1.00 36.21 ? 895 ILE B CB 1 ATOM 1707 C CG1 . ILE B 1 16 ? 67.912 -18.563 -14.572 1.00 32.24 ? 895 ILE B CG1 1 ATOM 1708 C CG2 . ILE B 1 16 ? 69.234 -20.763 -14.605 1.00 37.91 ? 895 ILE B CG2 1 ATOM 1709 C CD1 . ILE B 1 16 ? 68.278 -17.953 -13.279 1.00 21.71 ? 895 ILE B CD1 1 ATOM 1710 N N . LEU B 1 17 ? 72.448 -19.657 -15.977 1.00 43.49 ? 896 LEU B N 1 ATOM 1711 C CA . LEU B 1 17 ? 73.478 -20.287 -16.785 1.00 45.33 ? 896 LEU B CA 1 ATOM 1712 C C . LEU B 1 17 ? 73.381 -21.816 -16.827 1.00 51.34 ? 896 LEU B C 1 ATOM 1713 O O . LEU B 1 17 ? 73.503 -22.402 -17.913 1.00 51.19 ? 896 LEU B O 1 ATOM 1714 C CB . LEU B 1 17 ? 74.868 -19.827 -16.331 1.00 48.25 ? 896 LEU B CB 1 ATOM 1715 C CG . LEU B 1 17 ? 75.162 -18.328 -16.463 1.00 54.19 ? 896 LEU B CG 1 ATOM 1716 C CD1 . LEU B 1 17 ? 76.472 -17.967 -15.797 1.00 57.29 ? 896 LEU B CD1 1 ATOM 1717 C CD2 . LEU B 1 17 ? 75.158 -17.880 -17.899 1.00 56.98 ? 896 LEU B CD2 1 ATOM 1718 N N . SER B 1 18 ? 73.194 -22.466 -15.650 1.00 48.76 ? 897 SER B N 1 ATOM 1719 C CA . SER B 1 18 ? 73.099 -23.928 -15.527 1.00 48.66 ? 897 SER B CA 1 ATOM 1720 C C . SER B 1 18 ? 72.218 -24.359 -14.350 1.00 52.95 ? 897 SER B C 1 ATOM 1721 O O . SER B 1 18 ? 71.431 -23.553 -13.846 1.00 51.78 ? 897 SER B O 1 ATOM 1722 C CB . SER B 1 18 ? 74.480 -24.560 -15.427 1.00 52.76 ? 897 SER B CB 1 ATOM 1723 O OG . SER B 1 18 ? 75.083 -24.251 -14.185 1.00 63.79 ? 897 SER B OG 1 ATOM 1724 N N . HIS B 1 19 ? 72.334 -25.639 -13.937 1.00 49.64 ? 898 HIS B N 1 ATOM 1725 C CA . HIS B 1 19 ? 71.572 -26.192 -12.820 1.00 48.59 ? 898 HIS B CA 1 ATOM 1726 C C . HIS B 1 19 ? 72.214 -25.795 -11.504 1.00 57.02 ? 898 HIS B C 1 ATOM 1727 O O . HIS B 1 19 ? 71.598 -25.990 -10.461 1.00 57.04 ? 898 HIS B O 1 ATOM 1728 C CB . HIS B 1 19 ? 71.511 -27.716 -12.919 1.00 49.26 ? 898 HIS B CB 1 ATOM 1729 C CG . HIS B 1 19 ? 72.867 -28.350 -12.927 1.00 54.96 ? 898 HIS B CG 1 ATOM 1730 N ND1 . HIS B 1 19 ? 73.614 -28.421 -14.085 1.00 57.75 ? 898 HIS B ND1 1 ATOM 1731 C CD2 . HIS B 1 19 ? 73.593 -28.861 -11.908 1.00 57.77 ? 898 HIS B CD2 1 ATOM 1732 C CE1 . HIS B 1 19 ? 74.755 -29.004 -13.743 1.00 58.99 ? 898 HIS B CE1 1 ATOM 1733 N NE2 . HIS B 1 19 ? 74.791 -29.271 -12.441 1.00 59.81 ? 898 HIS B NE2 1 ATOM 1734 N N . ASP B 1 20 ? 73.455 -25.262 -11.542 1.00 56.89 ? 899 ASP B N 1 ATOM 1735 C CA . ASP B 1 20 ? 74.179 -24.855 -10.336 1.00 58.99 ? 899 ASP B CA 1 ATOM 1736 C C . ASP B 1 20 ? 74.751 -23.424 -10.347 1.00 65.28 ? 899 ASP B C 1 ATOM 1737 O O . ASP B 1 20 ? 75.315 -22.997 -9.339 1.00 67.24 ? 899 ASP B O 1 ATOM 1738 C CB . ASP B 1 20 ? 75.272 -25.875 -10.005 1.00 63.15 ? 899 ASP B CB 1 ATOM 1739 C CG . ASP B 1 20 ? 76.431 -25.953 -10.990 1.00 77.03 ? 899 ASP B CG 1 ATOM 1740 O OD1 . ASP B 1 20 ? 76.329 -25.348 -12.089 1.00 73.63 ? 899 ASP B OD1 1 ATOM 1741 O OD2 . ASP B 1 20 ? 77.437 -26.643 -10.672 1.00 88.74 ? 899 ASP B OD2 1 ATOM 1742 N N . THR B 1 21 ? 74.604 -22.689 -11.469 1.00 60.76 ? 900 THR B N 1 ATOM 1743 C CA . THR B 1 21 ? 75.160 -21.343 -11.635 1.00 60.80 ? 900 THR B CA 1 ATOM 1744 C C . THR B 1 21 ? 74.180 -20.304 -12.167 1.00 60.71 ? 900 THR B C 1 ATOM 1745 O O . THR B 1 21 ? 73.435 -20.557 -13.121 1.00 57.68 ? 900 THR B O 1 ATOM 1746 C CB . THR B 1 21 ? 76.396 -21.432 -12.511 1.00 70.86 ? 900 THR B CB 1 ATOM 1747 O OG1 . THR B 1 21 ? 77.233 -22.463 -11.990 1.00 71.03 ? 900 THR B OG1 1 ATOM 1748 C CG2 . THR B 1 21 ? 77.142 -20.107 -12.617 1.00 73.15 ? 900 THR B CG2 1 ATOM 1749 N N . ILE B 1 22 ? 74.215 -19.117 -11.537 1.00 58.34 ? 901 ILE B N 1 ATOM 1750 C CA . ILE B 1 22 ? 73.414 -17.923 -11.864 1.00 56.24 ? 901 ILE B CA 1 ATOM 1751 C C . ILE B 1 22 ? 74.348 -16.711 -11.883 1.00 61.46 ? 901 ILE B C 1 ATOM 1752 O O . ILE B 1 22 ? 75.145 -16.541 -10.951 1.00 61.21 ? 901 ILE B O 1 ATOM 1753 C CB . ILE B 1 22 ? 72.186 -17.713 -10.908 1.00 57.14 ? 901 ILE B CB 1 ATOM 1754 C CG1 . ILE B 1 22 ? 71.173 -18.900 -10.976 1.00 55.44 ? 901 ILE B CG1 1 ATOM 1755 C CG2 . ILE B 1 22 ? 71.467 -16.398 -11.201 1.00 55.49 ? 901 ILE B CG2 1 ATOM 1756 C CD1 . ILE B 1 22 ? 70.134 -19.003 -9.779 1.00 52.82 ? 901 ILE B CD1 1 ATOM 1757 N N . ARG B 1 23 ? 74.267 -15.893 -12.962 1.00 59.45 ? 902 ARG B N 1 ATOM 1758 C CA . ARG B 1 23 ? 75.037 -14.655 -13.094 1.00 61.89 ? 902 ARG B CA 1 ATOM 1759 C C . ARG B 1 23 ? 74.180 -13.430 -12.707 1.00 64.61 ? 902 ARG B C 1 ATOM 1760 O O . ARG B 1 23 ? 73.126 -13.149 -13.312 1.00 61.05 ? 902 ARG B O 1 ATOM 1761 C CB . ARG B 1 23 ? 75.645 -14.497 -14.503 1.00 62.89 ? 902 ARG B CB 1 ATOM 1762 C CG . ARG B 1 23 ? 76.708 -13.372 -14.590 1.00 66.42 ? 902 ARG B CG 1 ATOM 1763 C CD . ARG B 1 23 ? 77.163 -13.099 -16.010 1.00 64.94 ? 902 ARG B CD 1 ATOM 1764 N NE . ARG B 1 23 ? 78.264 -13.971 -16.425 1.00 80.56 ? 902 ARG B NE 1 ATOM 1765 C CZ . ARG B 1 23 ? 78.188 -14.858 -17.421 1.00 94.53 ? 902 ARG B CZ 1 ATOM 1766 N NH1 . ARG B 1 23 ? 77.071 -14.972 -18.138 1.00 84.26 ? 902 ARG B NH1 1 ATOM 1767 N NH2 . ARG B 1 23 ? 79.228 -15.637 -17.708 1.00 65.89 ? 902 ARG B NH2 1 ATOM 1768 N N . ILE B 1 24 ? 74.647 -12.727 -11.671 1.00 62.92 ? 903 ILE B N 1 ATOM 1769 C CA . ILE B 1 24 ? 74.019 -11.519 -11.152 1.00 62.86 ? 903 ILE B CA 1 ATOM 1770 C C . ILE B 1 24 ? 74.721 -10.306 -11.731 1.00 71.63 ? 903 ILE B C 1 ATOM 1771 O O . ILE B 1 24 ? 75.945 -10.274 -11.790 1.00 74.87 ? 903 ILE B O 1 ATOM 1772 C CB . ILE B 1 24 ? 74.001 -11.519 -9.610 1.00 66.12 ? 903 ILE B CB 1 ATOM 1773 C CG1 . ILE B 1 24 ? 73.404 -12.834 -9.054 1.00 63.57 ? 903 ILE B CG1 1 ATOM 1774 C CG2 . ILE B 1 24 ? 73.302 -10.250 -9.037 1.00 67.20 ? 903 ILE B CG2 1 ATOM 1775 C CD1 . ILE B 1 24 ? 72.021 -13.210 -9.583 1.00 61.51 ? 903 ILE B CD1 1 ATOM 1776 N N . THR B 1 25 ? 73.946 -9.340 -12.214 1.00 67.43 ? 904 THR B N 1 ATOM 1777 C CA . THR B 1 25 ? 74.449 -8.114 -12.824 1.00 69.54 ? 904 THR B CA 1 ATOM 1778 C C . THR B 1 25 ? 73.598 -6.965 -12.341 1.00 74.53 ? 904 THR B C 1 ATOM 1779 O O . THR B 1 25 ? 72.385 -7.103 -12.174 1.00 72.80 ? 904 THR B O 1 ATOM 1780 C CB . THR B 1 25 ? 74.409 -8.195 -14.351 1.00 78.52 ? 904 THR B CB 1 ATOM 1781 O OG1 . THR B 1 25 ? 73.082 -8.505 -14.779 1.00 79.36 ? 904 THR B OG1 1 ATOM 1782 C CG2 . THR B 1 25 ? 75.390 -9.197 -14.917 1.00 78.31 ? 904 THR B CG2 1 ATOM 1783 N N . TRP B 1 26 ? 74.224 -5.819 -12.156 1.00 74.12 ? 905 TRP B N 1 ATOM 1784 C CA . TRP B 1 26 ? 73.554 -4.625 -11.660 1.00 74.72 ? 905 TRP B CA 1 ATOM 1785 C C . TRP B 1 26 ? 74.252 -3.344 -12.180 1.00 80.28 ? 905 TRP B C 1 ATOM 1786 O O . TRP B 1 26 ? 75.342 -3.398 -12.765 1.00 80.70 ? 905 TRP B O 1 ATOM 1787 C CB . TRP B 1 26 ? 73.567 -4.660 -10.119 1.00 74.64 ? 905 TRP B CB 1 ATOM 1788 C CG . TRP B 1 26 ? 74.962 -4.647 -9.568 1.00 79.07 ? 905 TRP B CG 1 ATOM 1789 C CD1 . TRP B 1 26 ? 75.714 -3.547 -9.284 1.00 85.48 ? 905 TRP B CD1 1 ATOM 1790 C CD2 . TRP B 1 26 ? 75.820 -5.780 -9.376 1.00 79.46 ? 905 TRP B CD2 1 ATOM 1791 N NE1 . TRP B 1 26 ? 76.966 -3.926 -8.866 1.00 87.57 ? 905 TRP B NE1 1 ATOM 1792 C CE2 . TRP B 1 26 ? 77.064 -5.292 -8.922 1.00 87.07 ? 905 TRP B CE2 1 ATOM 1793 C CE3 . TRP B 1 26 ? 75.645 -7.170 -9.501 1.00 78.69 ? 905 TRP B CE3 1 ATOM 1794 C CZ2 . TRP B 1 26 ? 78.124 -6.141 -8.578 1.00 87.87 ? 905 TRP B CZ2 1 ATOM 1795 C CZ3 . TRP B 1 26 ? 76.699 -8.013 -9.163 1.00 81.80 ? 905 TRP B CZ3 1 ATOM 1796 C CH2 . TRP B 1 26 ? 77.920 -7.498 -8.708 1.00 86.09 ? 905 TRP B CH2 1 ATOM 1797 N N . ALA B 1 27 ? 73.629 -2.193 -11.908 1.00 77.09 ? 906 ALA B N 1 ATOM 1798 C CA . ALA B 1 27 ? 74.144 -0.884 -12.265 1.00 79.52 ? 906 ALA B CA 1 ATOM 1799 C C . ALA B 1 27 ? 74.454 -0.079 -11.005 1.00 85.45 ? 906 ALA B C 1 ATOM 1800 O O . ALA B 1 27 ? 73.989 -0.415 -9.906 1.00 83.11 ? 906 ALA B O 1 ATOM 1801 C CB . ALA B 1 27 ? 73.129 -0.148 -13.123 1.00 79.29 ? 906 ALA B CB 1 ATOM 1802 N N . ASP B 1 28 ? 75.264 0.979 -11.179 1.00 86.36 ? 907 ASP B N 1 ATOM 1803 C CA . ASP B 1 28 ? 75.633 1.926 -10.134 1.00 89.88 ? 907 ASP B CA 1 ATOM 1804 C C . ASP B 1 28 ? 75.387 3.351 -10.658 1.00 96.29 ? 907 ASP B C 1 ATOM 1805 O O . ASP B 1 28 ? 76.118 3.831 -11.529 1.00 97.45 ? 907 ASP B O 1 ATOM 1806 C CB . ASP B 1 28 ? 77.086 1.715 -9.677 1.00 94.43 ? 907 ASP B CB 1 ATOM 1807 C CG . ASP B 1 28 ? 77.435 2.385 -8.356 1.00 102.98 ? 907 ASP B CG 1 ATOM 1808 O OD1 . ASP B 1 28 ? 76.755 3.363 -7.986 1.00 102.54 ? 907 ASP B OD1 1 ATOM 1809 O OD2 . ASP B 1 28 ? 78.388 1.926 -7.690 1.00 110.10 ? 907 ASP B OD2 1 ATOM 1810 N N . ASN B 1 29 ? 74.330 4.005 -10.144 1.00 93.11 ? 908 ASN B N 1 ATOM 1811 C CA . ASN B 1 29 ? 73.940 5.352 -10.563 1.00 95.71 ? 908 ASN B CA 1 ATOM 1812 C C . ASN B 1 29 ? 74.882 6.487 -10.132 1.00 104.53 ? 908 ASN B C 1 ATOM 1813 O O . ASN B 1 29 ? 74.663 7.635 -10.527 1.00 106.03 ? 908 ASN B O 1 ATOM 1814 C CB . ASN B 1 29 ? 72.478 5.639 -10.223 1.00 95.27 ? 908 ASN B CB 1 ATOM 1815 C CG . ASN B 1 29 ? 71.493 4.819 -11.007 1.00 107.15 ? 908 ASN B CG 1 ATOM 1816 O OD1 . ASN B 1 29 ? 71.809 4.214 -12.039 1.00 97.03 ? 908 ASN B OD1 1 ATOM 1817 N ND2 . ASN B 1 29 ? 70.265 4.785 -10.526 1.00 97.68 ? 908 ASN B ND2 1 ATOM 1818 N N . SER B 1 30 ? 75.936 6.163 -9.352 1.00 103.32 ? 909 SER B N 1 ATOM 1819 C CA . SER B 1 30 ? 76.964 7.108 -8.920 1.00 107.90 ? 909 SER B CA 1 ATOM 1820 C C . SER B 1 30 ? 78.220 6.989 -9.831 1.00 118.92 ? 909 SER B C 1 ATOM 1821 O O . SER B 1 30 ? 79.259 7.588 -9.555 1.00 123.33 ? 909 SER B O 1 ATOM 1822 C CB . SER B 1 30 ? 77.282 6.928 -7.437 1.00 109.05 ? 909 SER B CB 1 ATOM 1823 O OG . SER B 1 30 ? 77.744 5.630 -7.115 1.00 106.88 ? 909 SER B OG 1 ATOM 1824 N N . LEU B 1 31 ? 78.082 6.230 -10.947 1.00 116.43 ? 910 LEU B N 1 ATOM 1825 C CA . LEU B 1 31 ? 79.087 5.982 -11.999 1.00 118.61 ? 910 LEU B CA 1 ATOM 1826 C C . LEU B 1 31 ? 78.547 6.457 -13.380 1.00 122.95 ? 910 LEU B C 1 ATOM 1827 O O . LEU B 1 31 ? 77.346 6.283 -13.638 1.00 119.50 ? 910 LEU B O 1 ATOM 1828 C CB . LEU B 1 31 ? 79.414 4.468 -12.117 1.00 115.52 ? 910 LEU B CB 1 ATOM 1829 C CG . LEU B 1 31 ? 80.232 3.781 -11.025 1.00 120.69 ? 910 LEU B CG 1 ATOM 1830 C CD1 . LEU B 1 31 ? 80.401 2.310 -11.350 1.00 117.61 ? 910 LEU B CD1 1 ATOM 1831 C CD2 . LEU B 1 31 ? 81.597 4.424 -10.860 1.00 127.34 ? 910 LEU B CD2 1 ATOM 1832 N N . PRO B 1 32 ? 79.410 6.965 -14.308 1.00 121.89 ? 911 PRO B N 1 ATOM 1833 C CA . PRO B 1 32 ? 78.908 7.376 -15.641 1.00 122.37 ? 911 PRO B CA 1 ATOM 1834 C C . PRO B 1 32 ? 78.279 6.249 -16.471 1.00 131.92 ? 911 PRO B C 1 ATOM 1835 O O . PRO B 1 32 ? 78.505 5.067 -16.222 1.00 90.44 ? 911 PRO B O 1 ATOM 1836 C CB . PRO B 1 32 ? 80.151 7.946 -16.332 1.00 128.56 ? 911 PRO B CB 1 ATOM 1837 C CG . PRO B 1 32 ? 81.099 8.264 -15.231 1.00 135.72 ? 911 PRO B CG 1 ATOM 1838 C CD . PRO B 1 32 ? 80.858 7.230 -14.181 1.00 127.74 ? 911 PRO B CD 1 ATOM 1839 N N . THR B 1 38 ? 86.281 2.717 -11.224 1.00 156.67 ? 917 THR B N 1 ATOM 1840 C CA . THR B 1 38 ? 87.609 3.346 -11.235 1.00 162.08 ? 917 THR B CA 1 ATOM 1841 C C . THR B 1 38 ? 88.125 3.663 -9.815 1.00 168.31 ? 917 THR B C 1 ATOM 1842 O O . THR B 1 38 ? 89.327 3.866 -9.617 1.00 172.46 ? 917 THR B O 1 ATOM 1843 C CB . THR B 1 38 ? 87.630 4.589 -12.138 1.00 172.65 ? 917 THR B CB 1 ATOM 1844 O OG1 . THR B 1 38 ? 86.645 5.523 -11.699 1.00 169.89 ? 917 THR B OG1 1 ATOM 1845 C CG2 . THR B 1 38 ? 87.427 4.251 -13.612 1.00 170.23 ? 917 THR B CG2 1 ATOM 1846 N N . ASP B 1 39 ? 87.207 3.683 -8.838 1.00 161.73 ? 918 ASP B N 1 ATOM 1847 C CA . ASP B 1 39 ? 87.441 3.970 -7.416 1.00 163.43 ? 918 ASP B CA 1 ATOM 1848 C C . ASP B 1 39 ? 87.977 2.759 -6.625 1.00 165.96 ? 918 ASP B C 1 ATOM 1849 O O . ASP B 1 39 ? 88.448 1.783 -7.216 1.00 164.30 ? 918 ASP B O 1 ATOM 1850 C CB . ASP B 1 39 ? 86.130 4.481 -6.771 1.00 162.71 ? 918 ASP B CB 1 ATOM 1851 C CG . ASP B 1 39 ? 85.445 5.615 -7.513 1.00 169.86 ? 918 ASP B CG 1 ATOM 1852 O OD1 . ASP B 1 39 ? 86.112 6.633 -7.798 1.00 174.46 ? 918 ASP B OD1 1 ATOM 1853 O OD2 . ASP B 1 39 ? 84.237 5.502 -7.775 1.00 170.02 ? 918 ASP B OD2 1 ATOM 1854 N N . SER B 1 40 ? 87.905 2.842 -5.281 1.00 162.88 ? 919 SER B N 1 ATOM 1855 C CA . SER B 1 40 ? 88.304 1.793 -4.340 1.00 162.04 ? 919 SER B CA 1 ATOM 1856 C C . SER B 1 40 ? 87.093 0.912 -3.972 1.00 159.06 ? 919 SER B C 1 ATOM 1857 O O . SER B 1 40 ? 87.259 -0.096 -3.277 1.00 157.44 ? 919 SER B O 1 ATOM 1858 C CB . SER B 1 40 ? 88.877 2.423 -3.074 1.00 169.81 ? 919 SER B CB 1 ATOM 1859 O OG . SER B 1 40 ? 87.869 3.106 -2.347 1.00 176.82 ? 919 SER B OG 1 ATOM 1860 N N . ARG B 1 41 ? 85.879 1.314 -4.429 1.00 151.53 ? 920 ARG B N 1 ATOM 1861 C CA . ARG B 1 41 ? 84.584 0.663 -4.163 1.00 145.93 ? 920 ARG B CA 1 ATOM 1862 C C . ARG B 1 41 ? 84.483 -0.835 -4.486 1.00 146.23 ? 920 ARG B C 1 ATOM 1863 O O . ARG B 1 41 ? 85.013 -1.284 -5.505 1.00 145.42 ? 920 ARG B O 1 ATOM 1864 C CB . ARG B 1 41 ? 83.393 1.466 -4.747 1.00 141.24 ? 920 ARG B CB 1 ATOM 1865 C CG . ARG B 1 41 ? 83.323 1.527 -6.275 1.00 140.97 ? 920 ARG B CG 1 ATOM 1866 C CD . ARG B 1 41 ? 82.048 2.187 -6.775 1.00 132.06 ? 920 ARG B CD 1 ATOM 1867 N NE . ARG B 1 41 ? 82.227 3.613 -7.066 1.00 130.20 ? 920 ARG B NE 1 ATOM 1868 C CZ . ARG B 1 41 ? 81.232 4.472 -7.275 1.00 135.07 ? 920 ARG B CZ 1 ATOM 1869 N NH1 . ARG B 1 41 ? 79.973 4.066 -7.211 1.00 121.39 ? 920 ARG B NH1 1 ATOM 1870 N NH2 . ARG B 1 41 ? 81.490 5.746 -7.540 1.00 114.47 ? 920 ARG B NH2 1 ATOM 1871 N N . TYR B 1 42 ? 83.801 -1.597 -3.599 1.00 140.31 ? 921 TYR B N 1 ATOM 1872 C CA . TYR B 1 42 ? 83.564 -3.038 -3.748 1.00 136.52 ? 921 TYR B CA 1 ATOM 1873 C C . TYR B 1 42 ? 82.123 -3.438 -3.411 1.00 135.27 ? 921 TYR B C 1 ATOM 1874 O O . TYR B 1 42 ? 81.561 -2.994 -2.402 1.00 135.84 ? 921 TYR B O 1 ATOM 1875 C CB . TYR B 1 42 ? 84.600 -3.901 -2.987 1.00 139.93 ? 921 TYR B CB 1 ATOM 1876 C CG . TYR B 1 42 ? 84.399 -4.005 -1.488 1.00 142.42 ? 921 TYR B CG 1 ATOM 1877 C CD1 . TYR B 1 42 ? 84.954 -3.066 -0.624 1.00 148.30 ? 921 TYR B CD1 1 ATOM 1878 C CD2 . TYR B 1 42 ? 83.705 -5.078 -0.930 1.00 140.33 ? 921 TYR B CD2 1 ATOM 1879 C CE1 . TYR B 1 42 ? 84.801 -3.177 0.759 1.00 149.90 ? 921 TYR B CE1 1 ATOM 1880 C CE2 . TYR B 1 42 ? 83.531 -5.189 0.450 1.00 142.59 ? 921 TYR B CE2 1 ATOM 1881 C CZ . TYR B 1 42 ? 84.081 -4.236 1.291 1.00 152.11 ? 921 TYR B CZ 1 ATOM 1882 O OH . TYR B 1 42 ? 83.906 -4.353 2.649 1.00 152.57 ? 921 TYR B OH 1 ATOM 1883 N N . TYR B 1 43 ? 81.541 -4.291 -4.260 1.00 125.87 ? 922 TYR B N 1 ATOM 1884 C CA . TYR B 1 43 ? 80.187 -4.781 -4.081 1.00 120.56 ? 922 TYR B CA 1 ATOM 1885 C C . TYR B 1 43 ? 80.188 -6.081 -3.336 1.00 121.12 ? 922 TYR B C 1 ATOM 1886 O O . TYR B 1 43 ? 81.102 -6.884 -3.506 1.00 121.84 ? 922 TYR B O 1 ATOM 1887 C CB . TYR B 1 43 ? 79.505 -4.974 -5.428 1.00 118.25 ? 922 TYR B CB 1 ATOM 1888 C CG . TYR B 1 43 ? 79.539 -3.729 -6.281 1.00 121.43 ? 922 TYR B CG 1 ATOM 1889 C CD1 . TYR B 1 43 ? 78.702 -2.651 -6.008 1.00 123.53 ? 922 TYR B CD1 1 ATOM 1890 C CD2 . TYR B 1 43 ? 80.425 -3.614 -7.344 1.00 123.54 ? 922 TYR B CD2 1 ATOM 1891 C CE1 . TYR B 1 43 ? 78.732 -1.496 -6.790 1.00 125.69 ? 922 TYR B CE1 1 ATOM 1892 C CE2 . TYR B 1 43 ? 80.467 -2.462 -8.130 1.00 125.76 ? 922 TYR B CE2 1 ATOM 1893 C CZ . TYR B 1 43 ? 79.622 -1.402 -7.846 1.00 132.94 ? 922 TYR B CZ 1 ATOM 1894 O OH . TYR B 1 43 ? 79.658 -0.266 -8.623 1.00 136.26 ? 922 TYR B OH 1 ATOM 1895 N N . THR B 1 44 ? 79.162 -6.286 -2.506 1.00 114.16 ? 923 THR B N 1 ATOM 1896 C CA . THR B 1 44 ? 78.936 -7.525 -1.767 1.00 112.01 ? 923 THR B CA 1 ATOM 1897 C C . THR B 1 44 ? 77.592 -8.068 -2.242 1.00 110.03 ? 923 THR B C 1 ATOM 1898 O O . THR B 1 44 ? 76.619 -7.313 -2.297 1.00 109.23 ? 923 THR B O 1 ATOM 1899 C CB . THR B 1 44 ? 78.997 -7.310 -0.258 1.00 120.61 ? 923 THR B CB 1 ATOM 1900 O OG1 . THR B 1 44 ? 80.255 -6.703 0.062 1.00 127.69 ? 923 THR B OG1 1 ATOM 1901 C CG2 . THR B 1 44 ? 78.795 -8.620 0.534 1.00 114.91 ? 923 THR B CG2 1 ATOM 1902 N N . VAL B 1 45 ? 77.561 -9.352 -2.646 1.00 101.24 ? 924 VAL B N 1 ATOM 1903 C CA . VAL B 1 45 ? 76.363 -10.035 -3.132 1.00 94.95 ? 924 VAL B CA 1 ATOM 1904 C C . VAL B 1 45 ? 75.959 -11.083 -2.100 1.00 93.97 ? 924 VAL B C 1 ATOM 1905 O O . VAL B 1 45 ? 76.799 -11.856 -1.661 1.00 94.65 ? 924 VAL B O 1 ATOM 1906 C CB . VAL B 1 45 ? 76.579 -10.690 -4.529 1.00 96.71 ? 924 VAL B CB 1 ATOM 1907 C CG1 . VAL B 1 45 ? 75.303 -11.381 -5.018 1.00 92.48 ? 924 VAL B CG1 1 ATOM 1908 C CG2 . VAL B 1 45 ? 77.081 -9.681 -5.564 1.00 97.28 ? 924 VAL B CG2 1 ATOM 1909 N N . ARG B 1 46 ? 74.678 -11.118 -1.736 1.00 85.45 ? 925 ARG B N 1 ATOM 1910 C CA . ARG B 1 46 ? 74.148 -12.123 -0.827 1.00 83.43 ? 925 ARG B CA 1 ATOM 1911 C C . ARG B 1 46 ? 73.055 -12.901 -1.553 1.00 82.43 ? 925 ARG B C 1 ATOM 1912 O O . ARG B 1 46 ? 72.442 -12.379 -2.486 1.00 80.69 ? 925 ARG B O 1 ATOM 1913 C CB . ARG B 1 46 ? 73.615 -11.504 0.466 1.00 83.36 ? 925 ARG B CB 1 ATOM 1914 C CG . ARG B 1 46 ? 72.356 -10.690 0.273 1.00 84.84 ? 925 ARG B CG 1 ATOM 1915 C CD . ARG B 1 46 ? 71.919 -10.038 1.544 1.00 88.90 ? 925 ARG B CD 1 ATOM 1916 N NE . ARG B 1 46 ? 70.703 -9.277 1.305 1.00 86.49 ? 925 ARG B NE 1 ATOM 1917 C CZ . ARG B 1 46 ? 70.037 -8.606 2.234 1.00 104.56 ? 925 ARG B CZ 1 ATOM 1918 N NH1 . ARG B 1 46 ? 70.477 -8.576 3.488 1.00 99.77 ? 925 ARG B NH1 1 ATOM 1919 N NH2 . ARG B 1 46 ? 68.940 -7.936 1.914 1.00 89.40 ? 925 ARG B NH2 1 ATOM 1920 N N . TRP B 1 47 ? 72.827 -14.148 -1.137 1.00 76.04 ? 926 TRP B N 1 ATOM 1921 C CA . TRP B 1 47 ? 71.813 -15.008 -1.716 1.00 71.16 ? 926 TRP B CA 1 ATOM 1922 C C . TRP B 1 47 ? 71.361 -16.084 -0.753 1.00 72.81 ? 926 TRP B C 1 ATOM 1923 O O . TRP B 1 47 ? 72.132 -16.533 0.084 1.00 75.61 ? 926 TRP B O 1 ATOM 1924 C CB . TRP B 1 47 ? 72.284 -15.606 -3.048 1.00 68.17 ? 926 TRP B CB 1 ATOM 1925 C CG . TRP B 1 47 ? 73.481 -16.506 -2.953 1.00 71.03 ? 926 TRP B CG 1 ATOM 1926 C CD1 . TRP B 1 47 ? 73.476 -17.867 -2.825 1.00 73.37 ? 926 TRP B CD1 1 ATOM 1927 C CD2 . TRP B 1 47 ? 74.862 -16.110 -3.010 1.00 74.10 ? 926 TRP B CD2 1 ATOM 1928 N NE1 . TRP B 1 47 ? 74.766 -18.342 -2.765 1.00 75.20 ? 926 TRP B NE1 1 ATOM 1929 C CE2 . TRP B 1 47 ? 75.639 -17.284 -2.875 1.00 79.02 ? 926 TRP B CE2 1 ATOM 1930 C CE3 . TRP B 1 47 ? 75.525 -14.865 -3.121 1.00 77.27 ? 926 TRP B CE3 1 ATOM 1931 C CZ2 . TRP B 1 47 ? 77.047 -17.256 -2.884 1.00 81.61 ? 926 TRP B CZ2 1 ATOM 1932 C CZ3 . TRP B 1 47 ? 76.919 -14.843 -3.146 1.00 81.70 ? 926 TRP B CZ3 1 ATOM 1933 C CH2 . TRP B 1 47 ? 77.663 -16.024 -3.020 1.00 83.54 ? 926 TRP B CH2 1 ATOM 1934 N N . LYS B 1 48 ? 70.107 -16.474 -0.858 1.00 65.27 ? 927 LYS B N 1 ATOM 1935 C CA . LYS B 1 48 ? 69.500 -17.525 -0.061 1.00 65.42 ? 927 LYS B CA 1 ATOM 1936 C C . LYS B 1 48 ? 68.367 -18.154 -0.886 1.00 72.29 ? 927 LYS B C 1 ATOM 1937 O O . LYS B 1 48 ? 67.917 -17.555 -1.867 1.00 69.75 ? 927 LYS B O 1 ATOM 1938 C CB . LYS B 1 48 ? 69.004 -16.999 1.303 1.00 66.98 ? 927 LYS B CB 1 ATOM 1939 C CG . LYS B 1 48 ? 67.721 -16.156 1.312 1.00 63.08 ? 927 LYS B CG 1 ATOM 1940 C CD . LYS B 1 48 ? 67.308 -15.852 2.747 1.00 72.24 ? 927 LYS B CD 1 ATOM 1941 C CE . LYS B 1 48 ? 65.983 -15.154 2.918 1.00 73.25 ? 927 LYS B CE 1 ATOM 1942 N NZ . LYS B 1 48 ? 65.908 -14.473 4.247 1.00 73.46 ? 927 LYS B NZ 1 ATOM 1943 N N . THR B 1 49 ? 67.934 -19.373 -0.519 1.00 71.49 ? 928 THR B N 1 ATOM 1944 C CA . THR B 1 49 ? 66.820 -20.000 -1.212 1.00 69.13 ? 928 THR B CA 1 ATOM 1945 C C . THR B 1 49 ? 65.584 -19.302 -0.689 1.00 76.70 ? 928 THR B C 1 ATOM 1946 O O . THR B 1 49 ? 65.486 -19.046 0.517 1.00 79.54 ? 928 THR B O 1 ATOM 1947 C CB . THR B 1 49 ? 66.766 -21.509 -0.990 1.00 77.63 ? 928 THR B CB 1 ATOM 1948 O OG1 . THR B 1 49 ? 66.436 -21.773 0.373 1.00 84.04 ? 928 THR B OG1 1 ATOM 1949 C CG2 . THR B 1 49 ? 68.007 -22.205 -1.389 1.00 76.11 ? 928 THR B CG2 1 ATOM 1950 N N . ASN B 1 50 ? 64.677 -18.944 -1.603 1.00 73.21 ? 929 ASN B N 1 ATOM 1951 C CA . ASN B 1 50 ? 63.404 -18.255 -1.350 1.00 72.61 ? 929 ASN B CA 1 ATOM 1952 C C . ASN B 1 50 ? 62.590 -18.929 -0.203 1.00 78.91 ? 929 ASN B C 1 ATOM 1953 O O . ASN B 1 50 ? 62.108 -18.235 0.699 1.00 78.51 ? 929 ASN B O 1 ATOM 1954 C CB . ASN B 1 50 ? 62.617 -18.178 -2.659 1.00 66.95 ? 929 ASN B CB 1 ATOM 1955 C CG . ASN B 1 50 ? 61.324 -17.413 -2.590 1.00 81.57 ? 929 ASN B CG 1 ATOM 1956 O OD1 . ASN B 1 50 ? 60.232 -17.990 -2.753 1.00 74.63 ? 929 ASN B OD1 1 ATOM 1957 N ND2 . ASN B 1 50 ? 61.421 -16.087 -2.402 1.00 66.52 ? 929 ASN B ND2 1 ATOM 1958 N N . ILE B 1 51 ? 62.515 -20.287 -0.217 1.00 77.54 ? 930 ILE B N 1 ATOM 1959 C CA . ILE B 1 51 ? 61.850 -21.128 0.797 1.00 101.57 ? 930 ILE B CA 1 ATOM 1960 C C . ILE B 1 51 ? 62.777 -22.160 1.416 1.00 96.06 ? 930 ILE B C 1 ATOM 1961 O O . ILE B 1 51 ? 63.831 -21.829 1.921 1.00 66.01 ? 930 ILE B O 1 ATOM 1962 C CB . ILE B 1 51 ? 60.524 -21.780 0.325 1.00 102.48 ? 930 ILE B CB 1 ATOM 1963 C CG1 . ILE B 1 51 ? 60.632 -22.489 -1.060 1.00 99.94 ? 930 ILE B CG1 1 ATOM 1964 C CG2 . ILE B 1 51 ? 59.387 -20.769 0.366 1.00 102.30 ? 930 ILE B CG2 1 ATOM 1965 C CD1 . ILE B 1 51 ? 60.928 -23.981 -0.995 1.00 106.18 ? 930 ILE B CD1 1 ATOM 1966 N N . THR B 1 55 ? 66.280 -18.980 6.360 1.00 96.76 ? 934 THR B N 1 ATOM 1967 C CA . THR B 1 55 ? 67.474 -19.607 5.778 1.00 96.45 ? 934 THR B CA 1 ATOM 1968 C C . THR B 1 55 ? 68.598 -18.590 5.877 1.00 101.32 ? 934 THR B C 1 ATOM 1969 O O . THR B 1 55 ? 68.308 -17.390 5.859 1.00 101.75 ? 934 THR B O 1 ATOM 1970 C CB . THR B 1 55 ? 67.238 -19.983 4.282 1.00 102.34 ? 934 THR B CB 1 ATOM 1971 O OG1 . THR B 1 55 ? 65.854 -20.273 4.008 1.00 96.47 ? 934 THR B OG1 1 ATOM 1972 C CG2 . THR B 1 55 ? 68.129 -21.136 3.818 1.00 101.16 ? 934 THR B CG2 1 ATOM 1973 N N . LYS B 1 56 ? 69.863 -19.026 5.984 1.00 98.21 ? 935 LYS B N 1 ATOM 1974 C CA . LYS B 1 56 ? 70.928 -18.020 6.057 1.00 99.36 ? 935 LYS B CA 1 ATOM 1975 C C . LYS B 1 56 ? 71.481 -17.580 4.718 1.00 97.43 ? 935 LYS B C 1 ATOM 1976 O O . LYS B 1 56 ? 71.630 -18.394 3.807 1.00 93.09 ? 935 LYS B O 1 ATOM 1977 C CB . LYS B 1 56 ? 72.010 -18.202 7.159 1.00 107.08 ? 935 LYS B CB 1 ATOM 1978 C CG . LYS B 1 56 ? 72.331 -19.617 7.658 1.00 121.86 ? 935 LYS B CG 1 ATOM 1979 C CD . LYS B 1 56 ? 73.529 -19.569 8.624 1.00 136.75 ? 935 LYS B CD 1 ATOM 1980 C CE . LYS B 1 56 ? 74.918 -19.596 7.990 1.00 148.47 ? 935 LYS B CE 1 ATOM 1981 N NZ . LYS B 1 56 ? 75.980 -19.981 8.968 1.00 159.32 ? 935 LYS B NZ 1 ATOM 1982 N N . TYR B 1 57 ? 71.776 -16.276 4.610 1.00 94.26 ? 936 TYR B N 1 ATOM 1983 C CA . TYR B 1 57 ? 72.340 -15.672 3.409 1.00 92.28 ? 936 TYR B CA 1 ATOM 1984 C C . TYR B 1 57 ? 73.794 -16.084 3.260 1.00 96.80 ? 936 TYR B C 1 ATOM 1985 O O . TYR B 1 57 ? 74.576 -15.960 4.204 1.00 101.75 ? 936 TYR B O 1 ATOM 1986 C CB . TYR B 1 57 ? 72.293 -14.123 3.471 1.00 94.66 ? 936 TYR B CB 1 ATOM 1987 C CG . TYR B 1 57 ? 70.967 -13.484 3.133 1.00 94.76 ? 936 TYR B CG 1 ATOM 1988 C CD1 . TYR B 1 57 ? 70.541 -13.373 1.816 1.00 93.37 ? 936 TYR B CD1 1 ATOM 1989 C CD2 . TYR B 1 57 ? 70.163 -12.936 4.126 1.00 97.53 ? 936 TYR B CD2 1 ATOM 1990 C CE1 . TYR B 1 57 ? 69.331 -12.763 1.498 1.00 93.06 ? 936 TYR B CE1 1 ATOM 1991 C CE2 . TYR B 1 57 ? 68.946 -12.329 3.821 1.00 96.72 ? 936 TYR B CE2 1 ATOM 1992 C CZ . TYR B 1 57 ? 68.536 -12.242 2.505 1.00 102.15 ? 936 TYR B CZ 1 ATOM 1993 O OH . TYR B 1 57 ? 67.337 -11.647 2.204 1.00 102.96 ? 936 TYR B OH 1 ATOM 1994 N N . LYS B 1 58 ? 74.163 -16.552 2.077 1.00 88.24 ? 937 LYS B N 1 ATOM 1995 C CA . LYS B 1 58 ? 75.552 -16.835 1.754 1.00 88.96 ? 937 LYS B CA 1 ATOM 1996 C C . LYS B 1 58 ? 75.982 -15.537 1.063 1.00 91.78 ? 937 LYS B C 1 ATOM 1997 O O . LYS B 1 58 ? 75.107 -14.819 0.582 1.00 89.45 ? 937 LYS B O 1 ATOM 1998 C CB . LYS B 1 58 ? 75.658 -18.032 0.791 1.00 88.60 ? 937 LYS B CB 1 ATOM 1999 C CG . LYS B 1 58 ? 75.291 -19.379 1.411 1.00 91.54 ? 937 LYS B CG 1 ATOM 2000 C CD . LYS B 1 58 ? 75.243 -20.478 0.348 1.00 98.97 ? 937 LYS B CD 1 ATOM 2001 C CE . LYS B 1 58 ? 74.994 -21.867 0.914 1.00 94.23 ? 937 LYS B CE 1 ATOM 2002 N NZ . LYS B 1 58 ? 75.309 -22.949 -0.073 1.00 68.74 ? 937 LYS B NZ 1 ATOM 2003 N N . ASN B 1 59 ? 77.278 -15.188 1.056 1.00 90.68 ? 938 ASN B N 1 ATOM 2004 C CA . ASN B 1 59 ? 77.721 -13.955 0.385 1.00 91.07 ? 938 ASN B CA 1 ATOM 2005 C C . ASN B 1 59 ? 79.118 -13.967 -0.213 1.00 98.26 ? 938 ASN B C 1 ATOM 2006 O O . ASN B 1 59 ? 79.874 -14.905 0.025 1.00 99.60 ? 938 ASN B O 1 ATOM 2007 C CB . ASN B 1 59 ? 77.438 -12.682 1.188 1.00 91.90 ? 938 ASN B CB 1 ATOM 2008 C CG . ASN B 1 59 ? 77.998 -12.687 2.564 1.00 107.03 ? 938 ASN B CG 1 ATOM 2009 O OD1 . ASN B 1 59 ? 79.216 -12.788 2.761 1.00 109.96 ? 938 ASN B OD1 1 ATOM 2010 N ND2 . ASN B 1 59 ? 77.107 -12.558 3.544 1.00 90.76 ? 938 ASN B ND2 1 ATOM 2011 N N . ALA B 1 60 ? 79.437 -12.939 -1.028 1.00 96.18 ? 939 ALA B N 1 ATOM 2012 C CA . ALA B 1 60 ? 80.704 -12.803 -1.741 1.00 99.11 ? 939 ALA B CA 1 ATOM 2013 C C . ALA B 1 60 ? 80.975 -11.360 -2.142 1.00 107.27 ? 939 ALA B C 1 ATOM 2014 O O . ALA B 1 60 ? 80.038 -10.579 -2.249 1.00 105.41 ? 939 ALA B O 1 ATOM 2015 C CB . ALA B 1 60 ? 80.680 -13.679 -2.980 1.00 97.33 ? 939 ALA B CB 1 ATOM 2016 N N . ASN B 1 61 ? 82.254 -11.017 -2.394 1.00 109.12 ? 940 ASN B N 1 ATOM 2017 C CA . ASN B 1 61 ? 82.695 -9.682 -2.819 1.00 111.22 ? 940 ASN B CA 1 ATOM 2018 C C . ASN B 1 61 ? 83.163 -9.641 -4.278 1.00 114.79 ? 940 ASN B C 1 ATOM 2019 O O . ASN B 1 61 ? 83.831 -10.575 -4.731 1.00 115.12 ? 940 ASN B O 1 ATOM 2020 C CB . ASN B 1 61 ? 83.819 -9.194 -1.928 1.00 118.27 ? 940 ASN B CB 1 ATOM 2021 C CG . ASN B 1 61 ? 83.407 -8.846 -0.536 1.00 160.00 ? 940 ASN B CG 1 ATOM 2022 O OD1 . ASN B 1 61 ? 82.462 -8.076 -0.314 1.00 152.78 ? 940 ASN B OD1 1 ATOM 2023 N ND2 . ASN B 1 61 ? 84.151 -9.398 0.416 1.00 166.38 ? 940 ASN B ND2 1 ATOM 2024 N N . ALA B 1 62 ? 82.850 -8.533 -4.993 1.00 110.64 ? 941 ALA B N 1 ATOM 2025 C CA . ALA B 1 62 ? 83.240 -8.295 -6.393 1.00 110.14 ? 941 ALA B CA 1 ATOM 2026 C C . ALA B 1 62 ? 83.660 -6.838 -6.648 1.00 116.44 ? 941 ALA B C 1 ATOM 2027 O O . ALA B 1 62 ? 83.054 -5.913 -6.099 1.00 116.47 ? 941 ALA B O 1 ATOM 2028 C CB . ALA B 1 62 ? 82.108 -8.686 -7.335 1.00 106.30 ? 941 ALA B CB 1 ATOM 2029 N N . THR B 1 63 ? 84.699 -6.647 -7.489 1.00 114.71 ? 942 THR B N 1 ATOM 2030 C CA . THR B 1 63 ? 85.234 -5.329 -7.891 1.00 117.07 ? 942 THR B CA 1 ATOM 2031 C C . THR B 1 63 ? 84.656 -4.972 -9.274 1.00 116.65 ? 942 THR B C 1 ATOM 2032 O O . THR B 1 63 ? 85.015 -3.958 -9.878 1.00 117.47 ? 942 THR B O 1 ATOM 2033 C CB . THR B 1 63 ? 86.789 -5.302 -7.863 1.00 131.61 ? 942 THR B CB 1 ATOM 2034 O OG1 . THR B 1 63 ? 87.317 -5.946 -9.024 1.00 132.46 ? 942 THR B OG1 1 ATOM 2035 C CG2 . THR B 1 63 ? 87.390 -5.910 -6.583 1.00 131.68 ? 942 THR B CG2 1 ATOM 2036 N N . THR B 1 64 ? 83.757 -5.842 -9.755 1.00 108.53 ? 943 THR B N 1 ATOM 2037 C CA . THR B 1 64 ? 83.049 -5.749 -11.025 1.00 105.40 ? 943 THR B CA 1 ATOM 2038 C C . THR B 1 64 ? 81.511 -5.645 -10.816 1.00 105.30 ? 943 THR B C 1 ATOM 2039 O O . THR B 1 64 ? 81.002 -5.986 -9.742 1.00 103.62 ? 943 THR B O 1 ATOM 2040 C CB . THR B 1 64 ? 83.511 -6.875 -11.974 1.00 109.53 ? 943 THR B CB 1 ATOM 2041 O OG1 . THR B 1 64 ? 82.830 -6.746 -13.219 1.00 105.89 ? 943 THR B OG1 1 ATOM 2042 C CG2 . THR B 1 64 ? 83.312 -8.285 -11.391 1.00 104.91 ? 943 THR B CG2 1 ATOM 2043 N N . LEU B 1 65 ? 80.790 -5.150 -11.845 1.00 99.78 ? 944 LEU B N 1 ATOM 2044 C CA . LEU B 1 65 ? 79.334 -4.965 -11.849 1.00 95.86 ? 944 LEU B CA 1 ATOM 2045 C C . LEU B 1 65 ? 78.578 -6.218 -12.352 1.00 95.17 ? 944 LEU B C 1 ATOM 2046 O O . LEU B 1 65 ? 77.619 -6.126 -13.125 1.00 91.56 ? 944 LEU B O 1 ATOM 2047 C CB . LEU B 1 65 ? 78.962 -3.706 -12.658 1.00 96.55 ? 944 LEU B CB 1 ATOM 2048 C CG . LEU B 1 65 ? 78.962 -2.393 -11.898 1.00 103.01 ? 944 LEU B CG 1 ATOM 2049 C CD1 . LEU B 1 65 ? 80.336 -1.790 -11.861 1.00 107.85 ? 944 LEU B CD1 1 ATOM 2050 C CD2 . LEU B 1 65 ? 78.038 -1.410 -12.555 1.00 104.21 ? 944 LEU B CD2 1 ATOM 2051 N N . SER B 1 66 ? 79.049 -7.393 -11.894 1.00 92.14 ? 945 SER B N 1 ATOM 2052 C CA . SER B 1 66 ? 78.533 -8.747 -12.154 1.00 88.91 ? 945 SER B CA 1 ATOM 2053 C C . SER B 1 66 ? 79.186 -9.743 -11.176 1.00 93.06 ? 945 SER B C 1 ATOM 2054 O O . SER B 1 66 ? 80.286 -9.488 -10.685 1.00 96.66 ? 945 SER B O 1 ATOM 2055 C CB . SER B 1 66 ? 78.814 -9.180 -13.589 1.00 92.25 ? 945 SER B CB 1 ATOM 2056 O OG . SER B 1 66 ? 80.207 -9.173 -13.842 1.00 108.64 ? 945 SER B OG 1 ATOM 2057 N N . TYR B 1 67 ? 78.504 -10.857 -10.888 1.00 85.45 ? 946 TYR B N 1 ATOM 2058 C CA . TYR B 1 67 ? 79.010 -11.950 -10.054 1.00 85.61 ? 946 TYR B CA 1 ATOM 2059 C C . TYR B 1 67 ? 78.365 -13.277 -10.446 1.00 86.38 ? 946 TYR B C 1 ATOM 2060 O O . TYR B 1 67 ? 77.157 -13.342 -10.712 1.00 83.77 ? 946 TYR B O 1 ATOM 2061 C CB . TYR B 1 67 ? 78.917 -11.675 -8.540 1.00 88.18 ? 946 TYR B CB 1 ATOM 2062 C CG . TYR B 1 67 ? 79.526 -12.781 -7.700 1.00 92.04 ? 946 TYR B CG 1 ATOM 2063 C CD1 . TYR B 1 67 ? 80.903 -12.844 -7.487 1.00 97.64 ? 946 TYR B CD1 1 ATOM 2064 C CD2 . TYR B 1 67 ? 78.729 -13.768 -7.122 1.00 91.07 ? 946 TYR B CD2 1 ATOM 2065 C CE1 . TYR B 1 67 ? 81.470 -13.866 -6.725 1.00 100.22 ? 946 TYR B CE1 1 ATOM 2066 C CE2 . TYR B 1 67 ? 79.286 -14.796 -6.359 1.00 93.89 ? 946 TYR B CE2 1 ATOM 2067 C CZ . TYR B 1 67 ? 80.660 -14.847 -6.173 1.00 106.66 ? 946 TYR B CZ 1 ATOM 2068 O OH . TYR B 1 67 ? 81.222 -15.856 -5.424 1.00 111.32 ? 946 TYR B OH 1 ATOM 2069 N N . LEU B 1 68 ? 79.205 -14.326 -10.516 1.00 82.45 ? 947 LEU B N 1 ATOM 2070 C CA . LEU B 1 68 ? 78.849 -15.689 -10.890 1.00 78.73 ? 947 LEU B CA 1 ATOM 2071 C C . LEU B 1 68 ? 78.615 -16.504 -9.639 1.00 80.19 ? 947 LEU B C 1 ATOM 2072 O O . LEU B 1 68 ? 79.567 -16.919 -8.977 1.00 82.77 ? 947 LEU B O 1 ATOM 2073 C CB . LEU B 1 68 ? 80.008 -16.285 -11.691 1.00 80.88 ? 947 LEU B CB 1 ATOM 2074 C CG . LEU B 1 68 ? 79.659 -17.070 -12.941 1.00 84.04 ? 947 LEU B CG 1 ATOM 2075 C CD1 . LEU B 1 68 ? 79.026 -16.184 -13.960 1.00 83.35 ? 947 LEU B CD1 1 ATOM 2076 C CD2 . LEU B 1 68 ? 80.896 -17.673 -13.561 1.00 89.41 ? 947 LEU B CD2 1 ATOM 2077 N N . VAL B 1 69 ? 77.351 -16.700 -9.282 1.00 72.47 ? 948 VAL B N 1 ATOM 2078 C CA . VAL B 1 69 ? 77.002 -17.474 -8.096 1.00 71.25 ? 948 VAL B CA 1 ATOM 2079 C C . VAL B 1 69 ? 77.050 -18.971 -8.459 1.00 73.05 ? 948 VAL B C 1 ATOM 2080 O O . VAL B 1 69 ? 76.377 -19.386 -9.407 1.00 70.46 ? 948 VAL B O 1 ATOM 2081 C CB . VAL B 1 69 ? 75.627 -17.052 -7.524 1.00 72.47 ? 948 VAL B CB 1 ATOM 2082 C CG1 . VAL B 1 69 ? 75.323 -17.818 -6.249 1.00 72.38 ? 948 VAL B CG1 1 ATOM 2083 C CG2 . VAL B 1 69 ? 75.567 -15.545 -7.270 1.00 73.36 ? 948 VAL B CG2 1 ATOM 2084 N N . THR B 1 70 ? 77.872 -19.765 -7.739 1.00 69.98 ? 949 THR B N 1 ATOM 2085 C CA . THR B 1 70 ? 78.011 -21.211 -7.996 1.00 68.92 ? 949 THR B CA 1 ATOM 2086 C C . THR B 1 70 ? 77.646 -22.083 -6.776 1.00 71.31 ? 949 THR B C 1 ATOM 2087 O O . THR B 1 70 ? 77.357 -21.548 -5.690 1.00 71.07 ? 949 THR B O 1 ATOM 2088 C CB . THR B 1 70 ? 79.396 -21.564 -8.554 1.00 76.39 ? 949 THR B CB 1 ATOM 2089 O OG1 . THR B 1 70 ? 80.399 -21.113 -7.662 1.00 79.42 ? 949 THR B OG1 1 ATOM 2090 C CG2 . THR B 1 70 ? 79.639 -20.993 -9.913 1.00 73.62 ? 949 THR B CG2 1 ATOM 2091 N N . GLY B 1 71 ? 77.636 -23.409 -6.982 1.00 65.48 ? 950 GLY B N 1 ATOM 2092 C CA . GLY B 1 71 ? 77.316 -24.390 -5.947 1.00 65.65 ? 950 GLY B CA 1 ATOM 2093 C C . GLY B 1 71 ? 75.870 -24.393 -5.476 1.00 66.50 ? 950 GLY B C 1 ATOM 2094 O O . GLY B 1 71 ? 75.573 -24.794 -4.340 1.00 67.52 ? 950 GLY B O 1 ATOM 2095 N N . LEU B 1 72 ? 74.959 -23.966 -6.366 1.00 58.47 ? 951 LEU B N 1 ATOM 2096 C CA . LEU B 1 72 ? 73.521 -23.909 -6.126 1.00 54.94 ? 951 LEU B CA 1 ATOM 2097 C C . LEU B 1 72 ? 72.871 -25.264 -6.460 1.00 58.39 ? 951 LEU B C 1 ATOM 2098 O O . LEU B 1 72 ? 73.434 -26.060 -7.218 1.00 57.65 ? 951 LEU B O 1 ATOM 2099 C CB . LEU B 1 72 ? 72.893 -22.755 -6.944 1.00 51.86 ? 951 LEU B CB 1 ATOM 2100 C CG . LEU B 1 72 ? 73.521 -21.349 -6.768 1.00 55.99 ? 951 LEU B CG 1 ATOM 2101 C CD1 . LEU B 1 72 ? 73.137 -20.436 -7.878 1.00 53.23 ? 951 LEU B CD1 1 ATOM 2102 C CD2 . LEU B 1 72 ? 73.116 -20.723 -5.476 1.00 57.80 ? 951 LEU B CD2 1 ATOM 2103 N N . LYS B 1 73 ? 71.711 -25.542 -5.861 1.00 55.62 ? 952 LYS B N 1 ATOM 2104 C CA . LYS B 1 73 ? 70.977 -26.794 -6.068 1.00 54.37 ? 952 LYS B CA 1 ATOM 2105 C C . LYS B 1 73 ? 70.224 -26.761 -7.406 1.00 54.16 ? 952 LYS B C 1 ATOM 2106 O O . LYS B 1 73 ? 69.793 -25.669 -7.805 1.00 50.18 ? 952 LYS B O 1 ATOM 2107 C CB . LYS B 1 73 ? 69.995 -27.032 -4.905 1.00 56.69 ? 952 LYS B CB 1 ATOM 2108 C CG . LYS B 1 73 ? 70.649 -27.725 -3.705 1.00 75.36 ? 952 LYS B CG 1 ATOM 2109 C CD . LYS B 1 73 ? 69.849 -27.598 -2.403 1.00 91.23 ? 952 LYS B CD 1 ATOM 2110 C CE . LYS B 1 73 ? 68.889 -28.743 -2.128 1.00 104.44 ? 952 LYS B CE 1 ATOM 2111 N NZ . LYS B 1 73 ? 68.106 -28.528 -0.882 1.00 112.88 ? 952 LYS B NZ 1 ATOM 2112 N N . PRO B 1 74 ? 70.028 -27.912 -8.126 1.00 49.81 ? 953 PRO B N 1 ATOM 2113 C CA . PRO B 1 74 ? 69.235 -27.859 -9.364 1.00 47.31 ? 953 PRO B CA 1 ATOM 2114 C C . PRO B 1 74 ? 67.774 -27.569 -9.031 1.00 50.43 ? 953 PRO B C 1 ATOM 2115 O O . PRO B 1 74 ? 67.326 -27.883 -7.930 1.00 52.29 ? 953 PRO B O 1 ATOM 2116 C CB . PRO B 1 74 ? 69.397 -29.279 -9.958 1.00 48.86 ? 953 PRO B CB 1 ATOM 2117 C CG . PRO B 1 74 ? 70.413 -29.929 -9.173 1.00 54.55 ? 953 PRO B CG 1 ATOM 2118 C CD . PRO B 1 74 ? 70.389 -29.306 -7.825 1.00 51.12 ? 953 PRO B CD 1 ATOM 2119 N N . ASN B 1 75 ? 67.043 -26.966 -9.955 1.00 44.78 ? 954 ASN B N 1 ATOM 2120 C CA . ASN B 1 75 ? 65.617 -26.662 -9.775 1.00 43.54 ? 954 ASN B CA 1 ATOM 2121 C C . ASN B 1 75 ? 65.303 -25.905 -8.481 1.00 48.93 ? 954 ASN B C 1 ATOM 2122 O O . ASN B 1 75 ? 64.358 -26.264 -7.776 1.00 49.98 ? 954 ASN B O 1 ATOM 2123 C CB . ASN B 1 75 ? 64.783 -27.954 -9.902 1.00 41.78 ? 954 ASN B CB 1 ATOM 2124 C CG . ASN B 1 75 ? 63.343 -27.704 -10.200 1.00 51.44 ? 954 ASN B CG 1 ATOM 2125 O OD1 . ASN B 1 75 ? 62.986 -26.746 -10.900 1.00 44.47 ? 954 ASN B OD1 1 ATOM 2126 N ND2 . ASN B 1 75 ? 62.492 -28.600 -9.729 1.00 39.92 ? 954 ASN B ND2 1 ATOM 2127 N N . THR B 1 76 ? 66.124 -24.886 -8.140 1.00 44.39 ? 955 THR B N 1 ATOM 2128 C CA . THR B 1 76 ? 65.965 -24.159 -6.881 1.00 43.53 ? 955 THR B CA 1 ATOM 2129 C C . THR B 1 76 ? 65.889 -22.690 -7.104 1.00 47.29 ? 955 THR B C 1 ATOM 2130 O O . THR B 1 76 ? 66.731 -22.129 -7.807 1.00 48.10 ? 955 THR B O 1 ATOM 2131 C CB . THR B 1 76 ? 67.043 -24.578 -5.869 1.00 46.15 ? 955 THR B CB 1 ATOM 2132 O OG1 . THR B 1 76 ? 66.900 -25.983 -5.611 1.00 47.89 ? 955 THR B OG1 1 ATOM 2133 C CG2 . THR B 1 76 ? 66.976 -23.791 -4.554 1.00 41.37 ? 955 THR B CG2 1 ATOM 2134 N N . LEU B 1 77 ? 64.873 -22.054 -6.483 1.00 42.44 ? 956 LEU B N 1 ATOM 2135 C CA . LEU B 1 77 ? 64.646 -20.614 -6.564 1.00 40.52 ? 956 LEU B CA 1 ATOM 2136 C C . LEU B 1 77 ? 65.388 -19.904 -5.447 1.00 45.26 ? 956 LEU B C 1 ATOM 2137 O O . LEU B 1 77 ? 65.250 -20.264 -4.274 1.00 44.70 ? 956 LEU B O 1 ATOM 2138 C CB . LEU B 1 77 ? 63.144 -20.289 -6.549 1.00 38.24 ? 956 LEU B CB 1 ATOM 2139 C CG . LEU B 1 77 ? 62.727 -18.833 -6.602 1.00 41.47 ? 956 LEU B CG 1 ATOM 2140 C CD1 . LEU B 1 77 ? 63.013 -18.217 -7.947 1.00 40.59 ? 956 LEU B CD1 1 ATOM 2141 C CD2 . LEU B 1 77 ? 61.285 -18.699 -6.237 1.00 40.64 ? 956 LEU B CD2 1 ATOM 2142 N N . TYR B 1 78 ? 66.154 -18.871 -5.842 1.00 43.96 ? 957 TYR B N 1 ATOM 2143 C CA . TYR B 1 78 ? 66.990 -18.052 -4.988 1.00 46.34 ? 957 TYR B CA 1 ATOM 2144 C C . TYR B 1 78 ? 66.639 -16.590 -5.081 1.00 50.90 ? 957 TYR B C 1 ATOM 2145 O O . TYR B 1 78 ? 66.163 -16.146 -6.104 1.00 49.78 ? 957 TYR B O 1 ATOM 2146 C CB . TYR B 1 78 ? 68.465 -18.237 -5.365 1.00 49.34 ? 957 TYR B CB 1 ATOM 2147 C CG . TYR B 1 78 ? 68.991 -19.626 -5.092 1.00 53.04 ? 957 TYR B CG 1 ATOM 2148 C CD1 . TYR B 1 78 ? 69.571 -19.945 -3.868 1.00 57.06 ? 957 TYR B CD1 1 ATOM 2149 C CD2 . TYR B 1 78 ? 68.951 -20.614 -6.073 1.00 53.01 ? 957 TYR B CD2 1 ATOM 2150 C CE1 . TYR B 1 78 ? 70.063 -21.224 -3.615 1.00 57.85 ? 957 TYR B CE1 1 ATOM 2151 C CE2 . TYR B 1 78 ? 69.476 -21.884 -5.842 1.00 54.92 ? 957 TYR B CE2 1 ATOM 2152 C CZ . TYR B 1 78 ? 70.007 -22.191 -4.604 1.00 60.50 ? 957 TYR B CZ 1 ATOM 2153 O OH . TYR B 1 78 ? 70.474 -23.452 -4.366 1.00 59.39 ? 957 TYR B OH 1 ATOM 2154 N N . GLU B 1 79 ? 66.929 -15.848 -4.009 1.00 50.25 ? 958 GLU B N 1 ATOM 2155 C CA . GLU B 1 79 ? 66.788 -14.412 -3.808 1.00 50.80 ? 958 GLU B CA 1 ATOM 2156 C C . GLU B 1 79 ? 68.201 -13.799 -3.861 1.00 59.63 ? 958 GLU B C 1 ATOM 2157 O O . GLU B 1 79 ? 69.103 -14.324 -3.210 1.00 62.44 ? 958 GLU B O 1 ATOM 2158 C CB . GLU B 1 79 ? 66.265 -14.169 -2.387 1.00 53.72 ? 958 GLU B CB 1 ATOM 2159 C CG . GLU B 1 79 ? 64.831 -14.588 -2.117 1.00 65.91 ? 958 GLU B CG 1 ATOM 2160 C CD . GLU B 1 79 ? 64.315 -14.138 -0.761 1.00 94.26 ? 958 GLU B CD 1 ATOM 2161 O OE1 . GLU B 1 79 ? 65.110 -13.570 0.026 1.00 81.56 ? 958 GLU B OE1 1 ATOM 2162 O OE2 . GLU B 1 79 ? 63.105 -14.329 -0.496 1.00 98.23 ? 958 GLU B OE2 1 ATOM 2163 N N . PHE B 1 80 ? 68.393 -12.678 -4.568 1.00 56.42 ? 959 PHE B N 1 ATOM 2164 C CA . PHE B 1 80 ? 69.701 -12.011 -4.622 1.00 59.34 ? 959 PHE B CA 1 ATOM 2165 C C . PHE B 1 80 ? 69.582 -10.486 -4.357 1.00 70.33 ? 959 PHE B C 1 ATOM 2166 O O . PHE B 1 80 ? 68.666 -9.831 -4.876 1.00 69.64 ? 959 PHE B O 1 ATOM 2167 C CB . PHE B 1 80 ? 70.397 -12.250 -5.973 1.00 59.72 ? 959 PHE B CB 1 ATOM 2168 C CG . PHE B 1 80 ? 70.530 -13.684 -6.429 1.00 60.23 ? 959 PHE B CG 1 ATOM 2169 C CD1 . PHE B 1 80 ? 69.504 -14.309 -7.127 1.00 59.91 ? 959 PHE B CD1 1 ATOM 2170 C CD2 . PHE B 1 80 ? 71.715 -14.389 -6.229 1.00 64.60 ? 959 PHE B CD2 1 ATOM 2171 C CE1 . PHE B 1 80 ? 69.636 -15.633 -7.557 1.00 59.08 ? 959 PHE B CE1 1 ATOM 2172 C CE2 . PHE B 1 80 ? 71.848 -15.715 -6.666 1.00 64.74 ? 959 PHE B CE2 1 ATOM 2173 C CZ . PHE B 1 80 ? 70.809 -16.325 -7.321 1.00 59.45 ? 959 PHE B CZ 1 ATOM 2174 N N . SER B 1 81 ? 70.512 -9.925 -3.553 1.00 71.99 ? 960 SER B N 1 ATOM 2175 C CA . SER B 1 81 ? 70.603 -8.489 -3.247 1.00 74.56 ? 960 SER B CA 1 ATOM 2176 C C . SER B 1 81 ? 72.073 -8.125 -3.274 1.00 84.17 ? 960 SER B C 1 ATOM 2177 O O . SER B 1 81 ? 72.920 -8.989 -3.029 1.00 85.29 ? 960 SER B O 1 ATOM 2178 C CB . SER B 1 81 ? 70.012 -8.169 -1.879 1.00 79.35 ? 960 SER B CB 1 ATOM 2179 O OG . SER B 1 81 ? 69.163 -9.201 -1.405 1.00 85.45 ? 960 SER B OG 1 ATOM 2180 N N . VAL B 1 82 ? 72.386 -6.870 -3.620 1.00 84.73 ? 961 VAL B N 1 ATOM 2181 C CA . VAL B 1 82 ? 73.764 -6.355 -3.701 1.00 89.25 ? 961 VAL B CA 1 ATOM 2182 C C . VAL B 1 82 ? 73.861 -5.062 -2.853 1.00 99.96 ? 961 VAL B C 1 ATOM 2183 O O . VAL B 1 82 ? 72.850 -4.430 -2.555 1.00 99.39 ? 961 VAL B O 1 ATOM 2184 C CB . VAL B 1 82 ? 74.242 -6.139 -5.191 1.00 92.62 ? 961 VAL B CB 1 ATOM 2185 C CG1 . VAL B 1 82 ? 75.733 -5.811 -5.284 1.00 95.89 ? 961 VAL B CG1 1 ATOM 2186 C CG2 . VAL B 1 82 ? 73.928 -7.347 -6.069 1.00 89.11 ? 961 VAL B CG2 1 ATOM 2187 N N . MET B 1 83 ? 75.073 -4.705 -2.436 1.00 102.56 ? 962 MET B N 1 ATOM 2188 C CA . MET B 1 83 ? 75.384 -3.484 -1.691 1.00 106.79 ? 962 MET B CA 1 ATOM 2189 C C . MET B 1 83 ? 76.792 -3.016 -2.101 1.00 115.64 ? 962 MET B C 1 ATOM 2190 O O . MET B 1 83 ? 77.584 -3.824 -2.591 1.00 115.40 ? 962 MET B O 1 ATOM 2191 C CB . MET B 1 83 ? 75.247 -3.692 -0.169 1.00 110.76 ? 962 MET B CB 1 ATOM 2192 C CG . MET B 1 83 ? 76.240 -4.669 0.403 1.00 115.71 ? 962 MET B CG 1 ATOM 2193 S SD . MET B 1 83 ? 76.494 -4.444 2.166 1.00 123.89 ? 962 MET B SD 1 ATOM 2194 C CE . MET B 1 83 ? 77.417 -2.920 2.159 1.00 124.99 ? 962 MET B CE 1 ATOM 2195 N N . VAL B 1 84 ? 77.085 -1.723 -1.937 1.00 115.68 ? 963 VAL B N 1 ATOM 2196 C CA . VAL B 1 84 ? 78.385 -1.147 -2.290 1.00 119.03 ? 963 VAL B CA 1 ATOM 2197 C C . VAL B 1 84 ? 79.092 -0.660 -1.021 1.00 127.32 ? 963 VAL B C 1 ATOM 2198 O O . VAL B 1 84 ? 78.420 -0.337 -0.037 1.00 127.65 ? 963 VAL B O 1 ATOM 2199 C CB . VAL B 1 84 ? 78.230 -0.032 -3.377 1.00 123.13 ? 963 VAL B CB 1 ATOM 2200 C CG1 . VAL B 1 84 ? 77.445 1.177 -2.859 1.00 124.17 ? 963 VAL B CG1 1 ATOM 2201 C CG2 . VAL B 1 84 ? 79.573 0.399 -3.969 1.00 126.09 ? 963 VAL B CG2 1 ATOM 2202 N N . THR B 1 85 ? 80.437 -0.633 -1.034 1.00 126.96 ? 964 THR B N 1 ATOM 2203 C CA . THR B 1 85 ? 81.278 -0.112 0.052 1.00 155.82 ? 964 THR B CA 1 ATOM 2204 C C . THR B 1 85 ? 82.477 0.585 -0.582 1.00 169.81 ? 964 THR B C 1 ATOM 2205 O O . THR B 1 85 ? 83.257 -0.072 -1.264 1.00 128.83 ? 964 THR B O 1 ATOM 2206 C CB . THR B 1 85 ? 81.667 -1.200 1.085 1.00 162.49 ? 964 THR B CB 1 ATOM 2207 O OG1 . THR B 1 85 ? 80.496 -1.714 1.715 1.00 157.81 ? 964 THR B OG1 1 ATOM 2208 C CG2 . THR B 1 85 ? 82.594 -0.669 2.169 1.00 166.16 ? 964 THR B CG2 1 ATOM 2209 N N . SER B 1 91 ? 76.354 1.084 1.739 1.00 124.60 ? 970 SER B N 1 ATOM 2210 C CA . SER B 1 91 ? 74.958 1.282 1.375 1.00 120.43 ? 970 SER B CA 1 ATOM 2211 C C . SER B 1 91 ? 74.088 0.099 1.799 1.00 116.73 ? 970 SER B C 1 ATOM 2212 O O . SER B 1 91 ? 74.603 -1.001 1.995 1.00 114.40 ? 970 SER B O 1 ATOM 2213 C CB . SER B 1 91 ? 74.826 1.475 -0.127 1.00 122.44 ? 970 SER B CB 1 ATOM 2214 O OG . SER B 1 91 ? 73.451 1.711 -0.354 1.00 133.30 ? 970 SER B OG 1 ATOM 2215 N N . THR B 1 92 ? 72.754 0.312 1.886 1.00 109.51 ? 971 THR B N 1 ATOM 2216 C CA . THR B 1 92 ? 71.819 -0.775 2.192 1.00 104.78 ? 971 THR B CA 1 ATOM 2217 C C . THR B 1 92 ? 71.765 -1.682 0.999 1.00 101.87 ? 971 THR B C 1 ATOM 2218 O O . THR B 1 92 ? 72.217 -1.324 -0.101 1.00 100.81 ? 971 THR B O 1 ATOM 2219 C CB . THR B 1 92 ? 70.367 -0.322 2.353 1.00 109.72 ? 971 THR B CB 1 ATOM 2220 O OG1 . THR B 1 92 ? 70.182 1.059 2.033 1.00 114.08 ? 971 THR B OG1 1 ATOM 2221 C CG2 . THR B 1 92 ? 69.762 -0.756 3.672 1.00 106.01 ? 971 THR B CG2 1 ATOM 2222 N N . TRP B 1 93 ? 71.150 -2.838 1.209 1.00 93.37 ? 972 TRP B N 1 ATOM 2223 C CA . TRP B 1 93 ? 70.964 -3.827 0.183 1.00 87.69 ? 972 TRP B CA 1 ATOM 2224 C C . TRP B 1 93 ? 69.957 -3.362 -0.846 1.00 85.56 ? 972 TRP B C 1 ATOM 2225 O O . TRP B 1 93 ? 68.913 -2.791 -0.518 1.00 84.16 ? 972 TRP B O 1 ATOM 2226 C CB . TRP B 1 93 ? 70.570 -5.148 0.807 1.00 84.71 ? 972 TRP B CB 1 ATOM 2227 C CG . TRP B 1 93 ? 71.654 -5.699 1.670 1.00 88.26 ? 972 TRP B CG 1 ATOM 2228 C CD1 . TRP B 1 93 ? 71.781 -5.556 3.018 1.00 93.99 ? 972 TRP B CD1 1 ATOM 2229 C CD2 . TRP B 1 93 ? 72.784 -6.466 1.236 1.00 88.09 ? 972 TRP B CD2 1 ATOM 2230 N NE1 . TRP B 1 93 ? 72.908 -6.210 3.458 1.00 95.51 ? 972 TRP B NE1 1 ATOM 2231 C CE2 . TRP B 1 93 ? 73.550 -6.768 2.383 1.00 95.22 ? 972 TRP B CE2 1 ATOM 2232 C CE3 . TRP B 1 93 ? 73.212 -6.951 -0.011 1.00 87.05 ? 972 TRP B CE3 1 ATOM 2233 C CZ2 . TRP B 1 93 ? 74.717 -7.540 2.321 1.00 95.46 ? 972 TRP B CZ2 1 ATOM 2234 C CZ3 . TRP B 1 93 ? 74.368 -7.714 -0.070 1.00 89.44 ? 972 TRP B CZ3 1 ATOM 2235 C CH2 . TRP B 1 93 ? 75.109 -7.998 1.084 1.00 93.29 ? 972 TRP B CH2 1 ATOM 2236 N N . SER B 1 94 ? 70.324 -3.580 -2.104 1.00 79.05 ? 973 SER B N 1 ATOM 2237 C CA . SER B 1 94 ? 69.573 -3.279 -3.308 1.00 75.92 ? 973 SER B CA 1 ATOM 2238 C C . SER B 1 94 ? 68.252 -4.058 -3.353 1.00 75.05 ? 973 SER B C 1 ATOM 2239 O O . SER B 1 94 ? 67.973 -4.939 -2.519 1.00 73.20 ? 973 SER B O 1 ATOM 2240 C CB . SER B 1 94 ? 70.398 -3.719 -4.513 1.00 78.58 ? 973 SER B CB 1 ATOM 2241 O OG . SER B 1 94 ? 70.377 -5.137 -4.634 1.00 82.03 ? 973 SER B OG 1 ATOM 2242 N N . MET B 1 95 ? 67.490 -3.786 -4.411 1.00 68.47 ? 974 MET B N 1 ATOM 2243 C CA . MET B 1 95 ? 66.276 -4.501 -4.733 1.00 64.63 ? 974 MET B CA 1 ATOM 2244 C C . MET B 1 95 ? 66.594 -6.014 -4.816 1.00 68.20 ? 974 MET B C 1 ATOM 2245 O O . MET B 1 95 ? 67.743 -6.406 -5.102 1.00 68.73 ? 974 MET B O 1 ATOM 2246 C CB . MET B 1 95 ? 65.758 -4.007 -6.087 1.00 65.11 ? 974 MET B CB 1 ATOM 2247 C CG . MET B 1 95 ? 66.809 -4.077 -7.206 1.00 68.49 ? 974 MET B CG 1 ATOM 2248 S SD . MET B 1 95 ? 66.141 -4.305 -8.859 1.00 69.29 ? 974 MET B SD 1 ATOM 2249 C CE . MET B 1 95 ? 65.418 -5.947 -8.707 1.00 61.77 ? 974 MET B CE 1 ATOM 2250 N N . THR B 1 96 ? 65.582 -6.854 -4.551 1.00 62.57 ? 975 THR B N 1 ATOM 2251 C CA . THR B 1 96 ? 65.772 -8.293 -4.642 1.00 60.08 ? 975 THR B CA 1 ATOM 2252 C C . THR B 1 96 ? 65.471 -8.818 -6.039 1.00 58.88 ? 975 THR B C 1 ATOM 2253 O O . THR B 1 96 ? 64.426 -8.529 -6.628 1.00 55.39 ? 975 THR B O 1 ATOM 2254 C CB . THR B 1 96 ? 65.126 -9.064 -3.477 1.00 69.50 ? 975 THR B CB 1 ATOM 2255 O OG1 . THR B 1 96 ? 63.735 -8.819 -3.469 1.00 70.96 ? 975 THR B OG1 1 ATOM 2256 C CG2 . THR B 1 96 ? 65.707 -8.673 -2.111 1.00 72.46 ? 975 THR B CG2 1 ATOM 2257 N N . ALA B 1 97 ? 66.444 -9.555 -6.578 1.00 55.21 ? 976 ALA B N 1 ATOM 2258 C CA . ALA B 1 97 ? 66.383 -10.247 -7.854 1.00 51.91 ? 976 ALA B CA 1 ATOM 2259 C C . ALA B 1 97 ? 66.186 -11.730 -7.549 1.00 54.19 ? 976 ALA B C 1 ATOM 2260 O O . ALA B 1 97 ? 66.662 -12.225 -6.524 1.00 55.31 ? 976 ALA B O 1 ATOM 2261 C CB . ALA B 1 97 ? 67.672 -10.046 -8.622 1.00 53.55 ? 976 ALA B CB 1 ATOM 2262 N N . HIS B 1 98 ? 65.457 -12.427 -8.415 1.00 47.61 ? 977 HIS B N 1 ATOM 2263 C CA . HIS B 1 98 ? 65.185 -13.835 -8.249 1.00 45.35 ? 977 HIS B CA 1 ATOM 2264 C C . HIS B 1 98 ? 65.621 -14.584 -9.469 1.00 49.99 ? 977 HIS B C 1 ATOM 2265 O O . HIS B 1 98 ? 65.476 -14.083 -10.603 1.00 51.37 ? 977 HIS B O 1 ATOM 2266 C CB . HIS B 1 98 ? 63.698 -14.095 -8.012 1.00 44.38 ? 977 HIS B CB 1 ATOM 2267 C CG . HIS B 1 98 ? 63.177 -13.465 -6.772 1.00 49.69 ? 977 HIS B CG 1 ATOM 2268 N ND1 . HIS B 1 98 ? 62.920 -12.103 -6.706 1.00 52.93 ? 977 HIS B ND1 1 ATOM 2269 C CD2 . HIS B 1 98 ? 62.835 -14.036 -5.599 1.00 52.57 ? 977 HIS B CD2 1 ATOM 2270 C CE1 . HIS B 1 98 ? 62.478 -11.886 -5.483 1.00 53.85 ? 977 HIS B CE1 1 ATOM 2271 N NE2 . HIS B 1 98 ? 62.401 -13.022 -4.782 1.00 54.05 ? 977 HIS B NE2 1 ATOM 2272 N N . GLY B 1 99 ? 66.095 -15.807 -9.217 1.00 44.33 ? 978 GLY B N 1 ATOM 2273 C CA . GLY B 1 99 ? 66.522 -16.750 -10.228 1.00 42.69 ? 978 GLY B CA 1 ATOM 2274 C C . GLY B 1 99 ? 66.374 -18.178 -9.765 1.00 47.17 ? 978 GLY B C 1 ATOM 2275 O O . GLY B 1 99 ? 66.666 -18.498 -8.608 1.00 50.53 ? 978 GLY B O 1 ATOM 2276 N N . ALA B 1 100 ? 65.907 -19.047 -10.663 1.00 39.42 ? 979 ALA B N 1 ATOM 2277 C CA . ALA B 1 100 ? 65.785 -20.460 -10.347 1.00 36.89 ? 979 ALA B CA 1 ATOM 2278 C C . ALA B 1 100 ? 66.642 -21.273 -11.340 1.00 39.99 ? 979 ALA B C 1 ATOM 2279 O O . ALA B 1 100 ? 66.504 -21.131 -12.560 1.00 37.67 ? 979 ALA B O 1 ATOM 2280 C CB . ALA B 1 100 ? 64.321 -20.900 -10.359 1.00 34.69 ? 979 ALA B CB 1 ATOM 2281 N N . THR B 1 101 ? 67.587 -22.059 -10.791 1.00 39.69 ? 980 THR B N 1 ATOM 2282 C CA . THR B 1 101 ? 68.510 -22.944 -11.501 1.00 40.44 ? 980 THR B CA 1 ATOM 2283 C C . THR B 1 101 ? 67.720 -23.964 -12.296 1.00 43.68 ? 980 THR B C 1 ATOM 2284 O O . THR B 1 101 ? 66.593 -24.340 -11.910 1.00 42.78 ? 980 THR B O 1 ATOM 2285 C CB . THR B 1 101 ? 69.410 -23.698 -10.512 1.00 50.93 ? 980 THR B CB 1 ATOM 2286 O OG1 . THR B 1 101 ? 68.609 -24.273 -9.479 1.00 51.06 ? 980 THR B OG1 1 ATOM 2287 C CG2 . THR B 1 101 ? 70.494 -22.837 -9.930 1.00 50.65 ? 980 THR B CG2 1 ATOM 2288 N N . PHE B 1 102 ? 68.297 -24.408 -13.410 1.00 40.16 ? 981 PHE B N 1 ATOM 2289 C CA . PHE B 1 102 ? 67.647 -25.395 -14.258 1.00 38.98 ? 981 PHE B CA 1 ATOM 2290 C C . PHE B 1 102 ? 67.500 -26.746 -13.554 1.00 41.58 ? 981 PHE B C 1 ATOM 2291 O O . PHE B 1 102 ? 68.135 -27.009 -12.532 1.00 42.39 ? 981 PHE B O 1 ATOM 2292 C CB . PHE B 1 102 ? 68.446 -25.594 -15.557 1.00 42.27 ? 981 PHE B CB 1 ATOM 2293 C CG . PHE B 1 102 ? 68.665 -24.375 -16.412 1.00 42.98 ? 981 PHE B CG 1 ATOM 2294 C CD1 . PHE B 1 102 ? 67.667 -23.431 -16.568 1.00 42.63 ? 981 PHE B CD1 1 ATOM 2295 C CD2 . PHE B 1 102 ? 69.853 -24.205 -17.109 1.00 47.93 ? 981 PHE B CD2 1 ATOM 2296 C CE1 . PHE B 1 102 ? 67.859 -22.310 -17.371 1.00 44.40 ? 981 PHE B CE1 1 ATOM 2297 C CE2 . PHE B 1 102 ? 70.054 -23.077 -17.910 1.00 51.51 ? 981 PHE B CE2 1 ATOM 2298 C CZ . PHE B 1 102 ? 69.045 -22.136 -18.041 1.00 47.31 ? 981 PHE B CZ 1 ATOM 2299 N N . GLU B 1 103 ? 66.655 -27.604 -14.110 1.00 36.80 ? 982 GLU B N 1 ATOM 2300 C CA . GLU B 1 103 ? 66.533 -28.956 -13.616 1.00 37.30 ? 982 GLU B CA 1 ATOM 2301 C C . GLU B 1 103 ? 67.803 -29.642 -14.164 1.00 43.99 ? 982 GLU B C 1 ATOM 2302 O O . GLU B 1 103 ? 68.472 -29.116 -15.069 1.00 45.04 ? 982 GLU B O 1 ATOM 2303 C CB . GLU B 1 103 ? 65.292 -29.642 -14.203 1.00 36.36 ? 982 GLU B CB 1 ATOM 2304 C CG . GLU B 1 103 ? 63.951 -29.181 -13.667 1.00 40.59 ? 982 GLU B CG 1 ATOM 2305 C CD . GLU B 1 103 ? 62.742 -30.032 -14.048 1.00 65.87 ? 982 GLU B CD 1 ATOM 2306 O OE1 . GLU B 1 103 ? 62.890 -30.957 -14.881 1.00 54.96 ? 982 GLU B OE1 1 ATOM 2307 O OE2 . GLU B 1 103 ? 61.647 -29.787 -13.492 1.00 72.39 ? 982 GLU B OE2 1 ATOM 2308 N N . LEU B 1 104 ? 68.161 -30.770 -13.586 1.00 34.42 ? 983 LEU B N 1 ATOM 2309 C CA . LEU B 1 104 ? 69.255 -31.562 -14.099 1.00 31.51 ? 983 LEU B CA 1 ATOM 2310 C C . LEU B 1 104 ? 68.611 -32.878 -14.298 1.00 38.91 ? 983 LEU B C 1 ATOM 2311 O O . LEU B 1 104 ? 67.592 -33.211 -13.663 1.00 40.49 ? 983 LEU B O 1 ATOM 2312 C CB . LEU B 1 104 ? 70.404 -31.672 -13.090 1.00 29.65 ? 983 LEU B CB 1 ATOM 2313 C CG . LEU B 1 104 ? 71.651 -32.512 -13.480 1.00 29.07 ? 983 LEU B CG 1 ATOM 2314 C CD1 . LEU B 1 104 ? 72.507 -31.813 -14.501 1.00 29.54 ? 983 LEU B CD1 1 ATOM 2315 C CD2 . LEU B 1 104 ? 72.473 -32.805 -12.275 1.00 23.91 ? 983 LEU B CD2 1 ATOM 2316 N N . VAL B 1 105 ? 69.158 -33.626 -15.220 1.00 34.09 ? 984 VAL B N 1 ATOM 2317 C CA . VAL B 1 105 ? 68.690 -34.961 -15.471 1.00 31.04 ? 984 VAL B CA 1 ATOM 2318 C C . VAL B 1 105 ? 68.751 -35.767 -14.128 1.00 33.03 ? 984 VAL B C 1 ATOM 2319 O O . VAL B 1 105 ? 69.603 -35.448 -13.277 1.00 32.89 ? 984 VAL B O 1 ATOM 2320 C CB . VAL B 1 105 ? 69.611 -35.498 -16.583 1.00 31.75 ? 984 VAL B CB 1 ATOM 2321 C CG1 . VAL B 1 105 ? 70.744 -36.377 -16.091 1.00 29.67 ? 984 VAL B CG1 1 ATOM 2322 C CG2 . VAL B 1 105 ? 68.789 -36.172 -17.616 1.00 32.44 ? 984 VAL B CG2 1 ATOM 2323 N N . PRO B 1 106 ? 67.891 -36.771 -13.855 1.00 27.16 ? 985 PRO B N 1 ATOM 2324 C CA . PRO B 1 106 ? 68.072 -37.531 -12.587 1.00 25.23 ? 985 PRO B CA 1 ATOM 2325 C C . PRO B 1 106 ? 69.463 -38.176 -12.593 1.00 32.55 ? 985 PRO B C 1 ATOM 2326 O O . PRO B 1 106 ? 69.986 -38.553 -13.667 1.00 34.72 ? 985 PRO B O 1 ATOM 2327 C CB . PRO B 1 106 ? 66.939 -38.545 -12.595 1.00 25.83 ? 985 PRO B CB 1 ATOM 2328 C CG . PRO B 1 106 ? 65.999 -38.066 -13.676 1.00 30.86 ? 985 PRO B CG 1 ATOM 2329 C CD . PRO B 1 106 ? 66.812 -37.333 -14.683 1.00 27.83 ? 985 PRO B CD 1 ATOM 2330 N N . THR B 1 107 ? 70.141 -38.152 -11.429 1.00 28.09 ? 986 THR B N 1 ATOM 2331 C CA . THR B 1 107 ? 71.495 -38.710 -11.282 1.00 26.80 ? 986 THR B CA 1 ATOM 2332 C C . THR B 1 107 ? 71.557 -39.916 -10.329 1.00 31.84 ? 986 THR B C 1 ATOM 2333 O O . THR B 1 107 ? 72.625 -40.323 -9.914 1.00 34.07 ? 986 THR B O 1 ATOM 2334 C CB . THR B 1 107 ? 72.489 -37.601 -10.980 1.00 30.23 ? 986 THR B CB 1 ATOM 2335 O OG1 . THR B 1 107 ? 72.108 -36.964 -9.772 1.00 33.04 ? 986 THR B OG1 1 ATOM 2336 C CG2 . THR B 1 107 ? 72.581 -36.590 -12.123 1.00 27.63 ? 986 THR B CG2 1 ATOM 2337 N N . SER B 1 108 ? 70.405 -40.483 -9.989 1.00 28.64 ? 987 SER B N 1 ATOM 2338 C CA . SER B 1 108 ? 70.206 -41.601 -9.073 1.00 28.17 ? 987 SER B CA 1 ATOM 2339 C C . SER B 1 108 ? 69.106 -42.496 -9.728 1.00 35.29 ? 987 SER B C 1 ATOM 2340 O O . SER B 1 108 ? 68.203 -41.983 -10.393 1.00 34.75 ? 987 SER B O 1 ATOM 2341 C CB . SER B 1 108 ? 69.778 -41.059 -7.702 1.00 28.26 ? 987 SER B CB 1 ATOM 2342 O OG . SER B 1 108 ? 68.920 -41.896 -6.931 1.00 40.26 ? 987 SER B OG 1 ATOM 2343 N N . PRO B 1 109 ? 69.187 -43.832 -9.662 1.00 34.75 ? 988 PRO B N 1 ATOM 2344 C CA . PRO B 1 109 ? 68.125 -44.638 -10.287 1.00 35.44 ? 988 PRO B CA 1 ATOM 2345 C C . PRO B 1 109 ? 66.889 -44.754 -9.387 1.00 41.94 ? 988 PRO B C 1 ATOM 2346 O O . PRO B 1 109 ? 67.000 -44.541 -8.163 1.00 43.25 ? 988 PRO B O 1 ATOM 2347 C CB . PRO B 1 109 ? 68.783 -46.022 -10.414 1.00 37.54 ? 988 PRO B CB 1 ATOM 2348 C CG . PRO B 1 109 ? 69.680 -46.107 -9.247 1.00 41.34 ? 988 PRO B CG 1 ATOM 2349 C CD . PRO B 1 109 ? 70.173 -44.696 -8.971 1.00 36.31 ? 988 PRO B CD 1 ATOM 2350 N N . PRO B 1 110 ? 65.734 -45.191 -9.949 1.00 38.55 ? 989 PRO B N 1 ATOM 2351 C CA . PRO B 1 110 ? 64.567 -45.465 -9.093 1.00 39.33 ? 989 PRO B CA 1 ATOM 2352 C C . PRO B 1 110 ? 64.947 -46.469 -7.979 1.00 46.11 ? 989 PRO B C 1 ATOM 2353 O O . PRO B 1 110 ? 65.768 -47.358 -8.207 1.00 46.26 ? 989 PRO B O 1 ATOM 2354 C CB . PRO B 1 110 ? 63.547 -46.065 -10.076 1.00 40.62 ? 989 PRO B CB 1 ATOM 2355 C CG . PRO B 1 110 ? 63.933 -45.494 -11.390 1.00 43.23 ? 989 PRO B CG 1 ATOM 2356 C CD . PRO B 1 110 ? 65.427 -45.478 -11.369 1.00 39.12 ? 989 PRO B CD 1 ATOM 2357 N N . LYS B 1 111 ? 64.426 -46.261 -6.762 1.00 44.41 ? 990 LYS B N 1 ATOM 2358 C CA . LYS B 1 111 ? 64.697 -47.105 -5.589 1.00 46.54 ? 990 LYS B CA 1 ATOM 2359 C C . LYS B 1 111 ? 63.647 -48.223 -5.429 1.00 53.23 ? 990 LYS B C 1 ATOM 2360 O O . LYS B 1 111 ? 62.585 -48.182 -6.036 1.00 52.80 ? 990 LYS B O 1 ATOM 2361 C CB . LYS B 1 111 ? 64.689 -46.244 -4.302 1.00 48.66 ? 990 LYS B CB 1 ATOM 2362 C CG . LYS B 1 111 ? 65.867 -45.281 -4.138 1.00 55.20 ? 990 LYS B CG 1 ATOM 2363 C CD . LYS B 1 111 ? 65.517 -44.070 -3.243 1.00 64.94 ? 990 LYS B CD 1 ATOM 2364 C CE . LYS B 1 111 ? 65.699 -44.325 -1.757 1.00 72.80 ? 990 LYS B CE 1 ATOM 2365 N NZ . LYS B 1 111 ? 67.135 -44.435 -1.358 1.00 71.80 ? 990 LYS B NZ 1 ATOM 2366 N N . ASP B 1 112 ? 63.962 -49.202 -4.581 1.00 52.91 ? 991 ASP B N 1 ATOM 2367 C CA . ASP B 1 112 ? 63.110 -50.294 -4.106 1.00 55.44 ? 991 ASP B CA 1 ATOM 2368 C C . ASP B 1 112 ? 62.205 -50.933 -5.161 1.00 57.83 ? 991 ASP B C 1 ATOM 2369 O O . ASP B 1 112 ? 60.991 -51.056 -4.962 1.00 58.44 ? 991 ASP B O 1 ATOM 2370 C CB . ASP B 1 112 ? 62.342 -49.842 -2.830 1.00 59.09 ? 991 ASP B CB 1 ATOM 2371 C CG . ASP B 1 112 ? 63.164 -49.019 -1.829 1.00 74.54 ? 991 ASP B CG 1 ATOM 2372 O OD1 . ASP B 1 112 ? 64.288 -49.461 -1.471 1.00 78.65 ? 991 ASP B OD1 1 ATOM 2373 O OD2 . ASP B 1 112 ? 62.697 -47.921 -1.423 1.00 78.30 ? 991 ASP B OD2 1 ATOM 2374 N N . VAL B 1 113 ? 62.816 -51.345 -6.286 1.00 52.81 ? 992 VAL B N 1 ATOM 2375 C CA . VAL B 1 113 ? 62.123 -51.993 -7.402 1.00 52.50 ? 992 VAL B CA 1 ATOM 2376 C C . VAL B 1 113 ? 61.690 -53.410 -7.001 1.00 62.78 ? 992 VAL B C 1 ATOM 2377 O O . VAL B 1 113 ? 62.531 -54.238 -6.629 1.00 65.14 ? 992 VAL B O 1 ATOM 2378 C CB . VAL B 1 113 ? 62.977 -52.008 -8.689 1.00 53.94 ? 992 VAL B CB 1 ATOM 2379 C CG1 . VAL B 1 113 ? 62.283 -52.781 -9.800 1.00 54.64 ? 992 VAL B CG1 1 ATOM 2380 C CG2 . VAL B 1 113 ? 63.317 -50.593 -9.146 1.00 50.39 ? 992 VAL B CG2 1 ATOM 2381 N N . THR B 1 114 ? 60.376 -53.692 -7.092 1.00 61.41 ? 993 THR B N 1 ATOM 2382 C CA . THR B 1 114 ? 59.802 -55.010 -6.777 1.00 65.37 ? 993 THR B CA 1 ATOM 2383 C C . THR B 1 114 ? 58.865 -55.513 -7.894 1.00 71.19 ? 993 THR B C 1 ATOM 2384 O O . THR B 1 114 ? 58.337 -54.706 -8.662 1.00 70.09 ? 993 THR B O 1 ATOM 2385 C CB . THR B 1 114 ? 59.096 -54.982 -5.421 1.00 71.63 ? 993 THR B CB 1 ATOM 2386 O OG1 . THR B 1 114 ? 57.984 -54.091 -5.487 1.00 70.17 ? 993 THR B OG1 1 ATOM 2387 C CG2 . THR B 1 114 ? 60.017 -54.568 -4.283 1.00 69.71 ? 993 THR B CG2 1 ATOM 2388 N N . VAL B 1 115 ? 58.689 -56.845 -8.001 1.00 70.19 ? 994 VAL B N 1 ATOM 2389 C CA . VAL B 1 115 ? 57.811 -57.493 -8.992 1.00 71.31 ? 994 VAL B CA 1 ATOM 2390 C C . VAL B 1 115 ? 56.958 -58.561 -8.304 1.00 78.99 ? 994 VAL B C 1 ATOM 2391 O O . VAL B 1 115 ? 57.480 -59.373 -7.541 1.00 81.72 ? 994 VAL B O 1 ATOM 2392 C CB . VAL B 1 115 ? 58.560 -58.104 -10.218 1.00 76.06 ? 994 VAL B CB 1 ATOM 2393 C CG1 . VAL B 1 115 ? 57.574 -58.524 -11.309 1.00 77.45 ? 994 VAL B CG1 1 ATOM 2394 C CG2 . VAL B 1 115 ? 59.608 -57.148 -10.785 1.00 72.20 ? 994 VAL B CG2 1 ATOM 2395 N N . VAL B 1 116 ? 55.655 -58.576 -8.590 1.00 76.08 ? 995 VAL B N 1 ATOM 2396 C CA . VAL B 1 116 ? 54.728 -59.569 -8.038 1.00 80.39 ? 995 VAL B CA 1 ATOM 2397 C C . VAL B 1 116 ? 53.820 -60.074 -9.142 1.00 87.79 ? 995 VAL B C 1 ATOM 2398 O O . VAL B 1 116 ? 53.526 -59.329 -10.082 1.00 85.52 ? 995 VAL B O 1 ATOM 2399 C CB . VAL B 1 116 ? 53.903 -59.065 -6.817 1.00 84.04 ? 995 VAL B CB 1 ATOM 2400 C CG1 . VAL B 1 116 ? 54.792 -58.830 -5.608 1.00 83.96 ? 995 VAL B CG1 1 ATOM 2401 C CG2 . VAL B 1 116 ? 53.082 -57.817 -7.147 1.00 80.55 ? 995 VAL B CG2 1 ATOM 2402 N N . SER B 1 117 ? 53.355 -61.319 -9.030 1.00 89.18 ? 996 SER B N 1 ATOM 2403 C CA . SER B 1 117 ? 52.426 -61.839 -10.022 1.00 91.21 ? 996 SER B CA 1 ATOM 2404 C C . SER B 1 117 ? 51.042 -61.283 -9.700 1.00 96.57 ? 996 SER B C 1 ATOM 2405 O O . SER B 1 117 ? 50.735 -61.130 -8.514 1.00 97.36 ? 996 SER B O 1 ATOM 2406 C CB . SER B 1 117 ? 52.440 -63.363 -10.037 1.00 98.18 ? 996 SER B CB 1 ATOM 2407 O OG . SER B 1 117 ? 52.850 -63.799 -11.321 1.00 102.96 ? 996 SER B OG 1 ATOM 2408 N N . LYS B 1 118 ? 50.242 -60.895 -10.729 1.00 92.90 ? 997 LYS B N 1 ATOM 2409 C CA . LYS B 1 118 ? 48.879 -60.377 -10.514 1.00 93.04 ? 997 LYS B CA 1 ATOM 2410 C C . LYS B 1 118 ? 47.966 -61.524 -10.027 1.00 104.15 ? 997 LYS B C 1 ATOM 2411 O O . LYS B 1 118 ? 48.021 -62.640 -10.560 1.00 106.72 ? 997 LYS B O 1 ATOM 2412 C CB . LYS B 1 118 ? 48.325 -59.696 -11.793 1.00 93.28 ? 997 LYS B CB 1 ATOM 2413 C CG . LYS B 1 118 ? 46.811 -59.377 -11.820 1.00 102.88 ? 997 LYS B CG 1 ATOM 2414 C CD . LYS B 1 118 ? 46.427 -58.084 -11.085 1.00 104.70 ? 997 LYS B CD 1 ATOM 2415 C CE . LYS B 1 118 ? 44.947 -57.769 -11.162 1.00 106.24 ? 997 LYS B CE 1 ATOM 2416 N NZ . LYS B 1 118 ? 44.575 -56.647 -10.258 1.00 104.10 ? 997 LYS B NZ 1 ATOM 2417 N N . GLU B 1 119 ? 47.163 -61.239 -8.987 1.00 103.19 ? 998 GLU B N 1 ATOM 2418 C CA . GLU B 1 119 ? 46.193 -62.143 -8.370 1.00 108.34 ? 998 GLU B CA 1 ATOM 2419 C C . GLU B 1 119 ? 45.383 -62.928 -9.423 1.00 114.31 ? 998 GLU B C 1 ATOM 2420 O O . GLU B 1 119 ? 44.684 -62.326 -10.242 1.00 112.89 ? 998 GLU B O 1 ATOM 2421 C CB . GLU B 1 119 ? 45.261 -61.328 -7.465 1.00 109.97 ? 998 GLU B CB 1 ATOM 2422 C CG . GLU B 1 119 ? 44.536 -62.181 -6.435 1.00 125.98 ? 998 GLU B CG 1 ATOM 2423 C CD . GLU B 1 119 ? 44.485 -61.569 -5.046 1.00 138.77 ? 998 GLU B CD 1 ATOM 2424 O OE1 . GLU B 1 119 ? 45.499 -60.977 -4.598 1.00 116.24 ? 998 GLU B OE1 1 ATOM 2425 O OE2 . GLU B 1 119 ? 43.414 -61.681 -4.403 1.00 126.10 ? 998 GLU B OE2 1 ATOM 2426 N N . GLY B 1 120 ? 45.560 -64.251 -9.425 1.00 113.97 ? 999 GLY B N 1 ATOM 2427 C CA . GLY B 1 120 ? 44.900 -65.181 -10.338 1.00 117.49 ? 999 GLY B CA 1 ATOM 2428 C C . GLY B 1 120 ? 45.111 -64.989 -11.833 1.00 119.95 ? 999 GLY B C 1 ATOM 2429 O O . GLY B 1 120 ? 44.348 -65.547 -12.627 1.00 122.96 ? 999 GLY B O 1 ATOM 2430 N N . LYS B 1 121 ? 46.135 -64.200 -12.232 1.00 111.85 ? 1000 LYS B N 1 ATOM 2431 C CA . LYS B 1 121 ? 46.483 -63.880 -13.624 1.00 110.08 ? 1000 LYS B CA 1 ATOM 2432 C C . LYS B 1 121 ? 48.008 -64.048 -13.757 1.00 110.53 ? 1000 LYS B C 1 ATOM 2433 O O . LYS B 1 121 ? 48.757 -63.069 -13.694 1.00 105.31 ? 1000 LYS B O 1 ATOM 2434 C CB . LYS B 1 121 ? 45.994 -62.458 -13.987 1.00 109.00 ? 1000 LYS B CB 1 ATOM 2435 C CG . LYS B 1 121 ? 44.481 -62.410 -14.216 1.00 125.73 ? 1000 LYS B CG 1 ATOM 2436 C CD . LYS B 1 121 ? 43.906 -61.006 -14.302 1.00 134.53 ? 1000 LYS B CD 1 ATOM 2437 C CE . LYS B 1 121 ? 42.396 -61.036 -14.287 1.00 150.91 ? 1000 LYS B CE 1 ATOM 2438 N NZ . LYS B 1 121 ? 41.798 -59.720 -14.665 1.00 159.29 ? 1000 LYS B NZ 1 ATOM 2439 N N . PRO B 1 122 ? 48.470 -65.318 -13.877 1.00 109.93 ? 1001 PRO B N 1 ATOM 2440 C CA . PRO B 1 122 ? 49.921 -65.605 -13.874 1.00 109.09 ? 1001 PRO B CA 1 ATOM 2441 C C . PRO B 1 122 ? 50.794 -65.024 -14.972 1.00 109.57 ? 1001 PRO B C 1 ATOM 2442 O O . PRO B 1 122 ? 52.007 -64.920 -14.769 1.00 107.55 ? 1001 PRO B O 1 ATOM 2443 C CB . PRO B 1 122 ? 49.972 -67.135 -13.894 1.00 117.03 ? 1001 PRO B CB 1 ATOM 2444 C CG . PRO B 1 122 ? 48.685 -67.537 -14.509 1.00 124.58 ? 1001 PRO B CG 1 ATOM 2445 C CD . PRO B 1 122 ? 47.698 -66.573 -13.928 1.00 116.70 ? 1001 PRO B CD 1 ATOM 2446 N N . ARG B 1 123 ? 50.201 -64.698 -16.135 1.00 105.82 ? 1002 ARG B N 1 ATOM 2447 C CA . ARG B 1 123 ? 50.912 -64.140 -17.289 1.00 103.57 ? 1002 ARG B CA 1 ATOM 2448 C C . ARG B 1 123 ? 51.049 -62.634 -17.151 1.00 99.07 ? 1002 ARG B C 1 ATOM 2449 O O . ARG B 1 123 ? 51.665 -61.993 -18.004 1.00 96.04 ? 1002 ARG B O 1 ATOM 2450 C CB . ARG B 1 123 ? 50.211 -64.536 -18.598 1.00 108.90 ? 1002 ARG B CB 1 ATOM 2451 C CG . ARG B 1 123 ? 50.319 -66.034 -18.903 1.00 126.22 ? 1002 ARG B CG 1 ATOM 2452 C CD . ARG B 1 123 ? 49.656 -66.406 -20.201 1.00 139.40 ? 1002 ARG B CD 1 ATOM 2453 N NE . ARG B 1 123 ? 50.396 -65.895 -21.357 1.00 141.90 ? 1002 ARG B NE 1 ATOM 2454 C CZ . ARG B 1 123 ? 50.495 -66.544 -22.516 1.00 145.83 ? 1002 ARG B CZ 1 ATOM 2455 N NH1 . ARG B 1 123 ? 49.926 -67.734 -22.669 1.00 133.57 ? 1002 ARG B NH1 1 ATOM 2456 N NH2 . ARG B 1 123 ? 51.176 -66.015 -23.525 1.00 118.36 ? 1002 ARG B NH2 1 ATOM 2457 N N . THR B 1 124 ? 50.480 -62.076 -16.046 1.00 92.76 ? 1003 THR B N 1 ATOM 2458 C CA . THR B 1 124 ? 50.523 -60.656 -15.673 1.00 87.24 ? 1003 THR B CA 1 ATOM 2459 C C . THR B 1 124 ? 51.343 -60.428 -14.400 1.00 89.30 ? 1003 THR B C 1 ATOM 2460 O O . THR B 1 124 ? 51.296 -61.219 -13.448 1.00 91.56 ? 1003 THR B O 1 ATOM 2461 C CB . THR B 1 124 ? 49.125 -60.062 -15.490 1.00 89.67 ? 1003 THR B CB 1 ATOM 2462 O OG1 . THR B 1 124 ? 48.299 -60.392 -16.609 1.00 96.81 ? 1003 THR B OG1 1 ATOM 2463 C CG2 . THR B 1 124 ? 49.161 -58.575 -15.341 1.00 77.02 ? 1003 THR B CG2 1 ATOM 2464 N N . ILE B 1 125 ? 52.076 -59.316 -14.385 1.00 81.24 ? 1004 ILE B N 1 ATOM 2465 C CA . ILE B 1 125 ? 52.891 -58.908 -13.248 1.00 77.89 ? 1004 ILE B CA 1 ATOM 2466 C C . ILE B 1 125 ? 52.614 -57.465 -12.883 1.00 76.30 ? 1004 ILE B C 1 ATOM 2467 O O . ILE B 1 125 ? 52.175 -56.689 -13.727 1.00 75.57 ? 1004 ILE B O 1 ATOM 2468 C CB . ILE B 1 125 ? 54.398 -59.140 -13.511 1.00 80.59 ? 1004 ILE B CB 1 ATOM 2469 C CG1 . ILE B 1 125 ? 54.852 -58.458 -14.819 1.00 79.31 ? 1004 ILE B CG1 1 ATOM 2470 C CG2 . ILE B 1 125 ? 54.753 -60.634 -13.471 1.00 85.27 ? 1004 ILE B CG2 1 ATOM 2471 C CD1 . ILE B 1 125 ? 56.165 -57.751 -14.719 1.00 82.97 ? 1004 ILE B CD1 1 ATOM 2472 N N . ILE B 1 126 ? 52.877 -57.112 -11.631 1.00 69.61 ? 1005 ILE B N 1 ATOM 2473 C CA . ILE B 1 126 ? 52.780 -55.748 -11.136 1.00 65.72 ? 1005 ILE B CA 1 ATOM 2474 C C . ILE B 1 126 ? 54.184 -55.375 -10.663 1.00 69.41 ? 1005 ILE B C 1 ATOM 2475 O O . ILE B 1 126 ? 54.786 -56.098 -9.861 1.00 71.09 ? 1005 ILE B O 1 ATOM 2476 C CB . ILE B 1 126 ? 51.709 -55.571 -10.032 1.00 68.79 ? 1005 ILE B CB 1 ATOM 2477 C CG1 . ILE B 1 126 ? 50.322 -55.867 -10.596 1.00 70.54 ? 1005 ILE B CG1 1 ATOM 2478 C CG2 . ILE B 1 126 ? 51.768 -54.155 -9.420 1.00 65.58 ? 1005 ILE B CG2 1 ATOM 2479 C CD1 . ILE B 1 126 ? 49.310 -56.137 -9.569 1.00 76.44 ? 1005 ILE B CD1 1 ATOM 2480 N N . VAL B 1 127 ? 54.703 -54.257 -11.179 1.00 62.68 ? 1006 VAL B N 1 ATOM 2481 C CA . VAL B 1 127 ? 56.021 -53.714 -10.856 1.00 59.19 ? 1006 VAL B CA 1 ATOM 2482 C C . VAL B 1 127 ? 55.835 -52.470 -10.006 1.00 59.68 ? 1006 VAL B C 1 ATOM 2483 O O . VAL B 1 127 ? 55.093 -51.554 -10.368 1.00 58.24 ? 1006 VAL B O 1 ATOM 2484 C CB . VAL B 1 127 ? 56.841 -53.376 -12.130 1.00 60.99 ? 1006 VAL B CB 1 ATOM 2485 C CG1 . VAL B 1 127 ? 58.298 -53.088 -11.782 1.00 58.38 ? 1006 VAL B CG1 1 ATOM 2486 C CG2 . VAL B 1 127 ? 56.717 -54.479 -13.191 1.00 63.53 ? 1006 VAL B CG2 1 ATOM 2487 N N . ASN B 1 128 ? 56.535 -52.425 -8.899 1.00 55.18 ? 1007 ASN B N 1 ATOM 2488 C CA . ASN B 1 128 ? 56.489 -51.280 -8.008 1.00 52.66 ? 1007 ASN B CA 1 ATOM 2489 C C . ASN B 1 128 ? 57.890 -50.767 -7.789 1.00 52.73 ? 1007 ASN B C 1 ATOM 2490 O O . ASN B 1 128 ? 58.840 -51.547 -7.900 1.00 54.03 ? 1007 ASN B O 1 ATOM 2491 C CB . ASN B 1 128 ? 55.869 -51.681 -6.688 1.00 55.28 ? 1007 ASN B CB 1 ATOM 2492 C CG . ASN B 1 128 ? 54.392 -51.456 -6.667 1.00 78.25 ? 1007 ASN B CG 1 ATOM 2493 O OD1 . ASN B 1 128 ? 53.918 -50.342 -6.422 1.00 84.23 ? 1007 ASN B OD1 1 ATOM 2494 N ND2 . ASN B 1 128 ? 53.632 -52.510 -6.926 1.00 59.78 ? 1007 ASN B ND2 1 ATOM 2495 N N . TRP B 1 129 ? 58.031 -49.457 -7.512 1.00 44.22 ? 1008 TRP B N 1 ATOM 2496 C CA . TRP B 1 129 ? 59.307 -48.797 -7.241 1.00 41.98 ? 1008 TRP B CA 1 ATOM 2497 C C . TRP B 1 129 ? 59.087 -47.494 -6.468 1.00 46.79 ? 1008 TRP B C 1 ATOM 2498 O O . TRP B 1 129 ? 57.949 -47.130 -6.181 1.00 47.89 ? 1008 TRP B O 1 ATOM 2499 C CB . TRP B 1 129 ? 60.114 -48.554 -8.540 1.00 38.99 ? 1008 TRP B CB 1 ATOM 2500 C CG . TRP B 1 129 ? 59.455 -47.614 -9.504 1.00 38.43 ? 1008 TRP B CG 1 ATOM 2501 C CD1 . TRP B 1 129 ? 59.626 -46.260 -9.575 1.00 39.69 ? 1008 TRP B CD1 1 ATOM 2502 C CD2 . TRP B 1 129 ? 58.429 -47.944 -10.451 1.00 39.12 ? 1008 TRP B CD2 1 ATOM 2503 N NE1 . TRP B 1 129 ? 58.777 -45.728 -10.518 1.00 39.49 ? 1008 TRP B NE1 1 ATOM 2504 C CE2 . TRP B 1 129 ? 58.029 -46.739 -11.072 1.00 42.46 ? 1008 TRP B CE2 1 ATOM 2505 C CE3 . TRP B 1 129 ? 57.799 -49.146 -10.837 1.00 42.67 ? 1008 TRP B CE3 1 ATOM 2506 C CZ2 . TRP B 1 129 ? 57.071 -46.709 -12.109 1.00 42.59 ? 1008 TRP B CZ2 1 ATOM 2507 C CZ3 . TRP B 1 129 ? 56.845 -49.115 -11.850 1.00 45.00 ? 1008 TRP B CZ3 1 ATOM 2508 C CH2 . TRP B 1 129 ? 56.480 -47.907 -12.465 1.00 44.37 ? 1008 TRP B CH2 1 ATOM 2509 N N . GLN B 1 130 ? 60.187 -46.801 -6.132 1.00 43.26 ? 1009 GLN B N 1 ATOM 2510 C CA . GLN B 1 130 ? 60.213 -45.523 -5.409 1.00 42.15 ? 1009 GLN B CA 1 ATOM 2511 C C . GLN B 1 130 ? 60.975 -44.492 -6.259 1.00 43.09 ? 1009 GLN B C 1 ATOM 2512 O O . GLN B 1 130 ? 61.831 -44.890 -7.068 1.00 40.90 ? 1009 GLN B O 1 ATOM 2513 C CB . GLN B 1 130 ? 60.900 -45.697 -4.032 1.00 45.24 ? 1009 GLN B CB 1 ATOM 2514 C CG . GLN B 1 130 ? 60.028 -46.337 -2.945 1.00 39.33 ? 1009 GLN B CG 1 ATOM 2515 C CD . GLN B 1 130 ? 58.666 -45.716 -2.832 1.00 70.37 ? 1009 GLN B CD 1 ATOM 2516 O OE1 . GLN B 1 130 ? 58.512 -44.506 -2.623 1.00 66.91 ? 1009 GLN B OE1 1 ATOM 2517 N NE2 . GLN B 1 130 ? 57.642 -46.534 -3.015 1.00 72.98 ? 1009 GLN B NE2 1 ATOM 2518 N N . PRO B 1 131 ? 60.698 -43.171 -6.107 1.00 38.63 ? 1010 PRO B N 1 ATOM 2519 C CA . PRO B 1 131 ? 61.417 -42.174 -6.934 1.00 36.10 ? 1010 PRO B CA 1 ATOM 2520 C C . PRO B 1 131 ? 62.901 -42.120 -6.602 1.00 41.98 ? 1010 PRO B C 1 ATOM 2521 O O . PRO B 1 131 ? 63.273 -42.434 -5.462 1.00 44.87 ? 1010 PRO B O 1 ATOM 2522 C CB . PRO B 1 131 ? 60.735 -40.841 -6.576 1.00 37.74 ? 1010 PRO B CB 1 ATOM 2523 C CG . PRO B 1 131 ? 59.509 -41.194 -5.862 1.00 43.72 ? 1010 PRO B CG 1 ATOM 2524 C CD . PRO B 1 131 ? 59.734 -42.513 -5.205 1.00 40.73 ? 1010 PRO B CD 1 ATOM 2525 N N . PRO B 1 132 ? 63.775 -41.696 -7.537 1.00 36.05 ? 1011 PRO B N 1 ATOM 2526 C CA . PRO B 1 132 ? 65.201 -41.634 -7.199 1.00 36.00 ? 1011 PRO B CA 1 ATOM 2527 C C . PRO B 1 132 ? 65.491 -40.590 -6.122 1.00 43.22 ? 1011 PRO B C 1 ATOM 2528 O O . PRO B 1 132 ? 64.710 -39.646 -5.923 1.00 43.87 ? 1011 PRO B O 1 ATOM 2529 C CB . PRO B 1 132 ? 65.878 -41.282 -8.526 1.00 35.66 ? 1011 PRO B CB 1 ATOM 2530 C CG . PRO B 1 132 ? 64.815 -40.656 -9.350 1.00 38.54 ? 1011 PRO B CG 1 ATOM 2531 C CD . PRO B 1 132 ? 63.533 -41.295 -8.934 1.00 35.43 ? 1011 PRO B CD 1 ATOM 2532 N N . SER B 1 133 ? 66.607 -40.783 -5.393 1.00 41.47 ? 1012 SER B N 1 ATOM 2533 C CA . SER B 1 133 ? 67.052 -39.857 -4.356 1.00 41.29 ? 1012 SER B CA 1 ATOM 2534 C C . SER B 1 133 ? 67.397 -38.516 -5.019 1.00 42.54 ? 1012 SER B C 1 ATOM 2535 O O . SER B 1 133 ? 66.884 -37.501 -4.584 1.00 45.83 ? 1012 SER B O 1 ATOM 2536 C CB . SER B 1 133 ? 68.265 -40.427 -3.633 1.00 46.18 ? 1012 SER B CB 1 ATOM 2537 O OG . SER B 1 133 ? 67.954 -41.642 -2.964 1.00 62.62 ? 1012 SER B OG 1 ATOM 2538 N N . GLU B 1 134 ? 68.179 -38.533 -6.123 1.00 34.15 ? 1013 GLU B N 1 ATOM 2539 C CA . GLU B 1 134 ? 68.591 -37.365 -6.899 1.00 31.53 ? 1013 GLU B CA 1 ATOM 2540 C C . GLU B 1 134 ? 67.741 -37.220 -8.144 1.00 37.20 ? 1013 GLU B C 1 ATOM 2541 O O . GLU B 1 134 ? 68.237 -37.362 -9.266 1.00 38.27 ? 1013 GLU B O 1 ATOM 2542 C CB . GLU B 1 134 ? 70.094 -37.430 -7.267 1.00 31.19 ? 1013 GLU B CB 1 ATOM 2543 C CG . GLU B 1 134 ? 71.021 -37.490 -6.071 1.00 29.70 ? 1013 GLU B CG 1 ATOM 2544 C CD . GLU B 1 134 ? 72.343 -38.197 -6.274 1.00 44.97 ? 1013 GLU B CD 1 ATOM 2545 O OE1 . GLU B 1 134 ? 72.925 -38.091 -7.377 1.00 30.06 ? 1013 GLU B OE1 1 ATOM 2546 O OE2 . GLU B 1 134 ? 72.803 -38.860 -5.316 1.00 54.91 ? 1013 GLU B OE2 1 ATOM 2547 N N . ALA B 1 135 ? 66.455 -36.905 -7.948 1.00 34.23 ? 1014 ALA B N 1 ATOM 2548 C CA . ALA B 1 135 ? 65.522 -36.660 -9.052 1.00 33.51 ? 1014 ALA B CA 1 ATOM 2549 C C . ALA B 1 135 ? 65.914 -35.378 -9.851 1.00 39.34 ? 1014 ALA B C 1 ATOM 2550 O O . ALA B 1 135 ? 65.766 -35.380 -11.067 1.00 41.72 ? 1014 ALA B O 1 ATOM 2551 C CB . ALA B 1 135 ? 64.105 -36.556 -8.540 1.00 34.90 ? 1014 ALA B CB 1 ATOM 2552 N N . ASN B 1 136 ? 66.432 -34.324 -9.174 1.00 33.77 ? 1015 ASN B N 1 ATOM 2553 C CA . ASN B 1 136 ? 66.936 -33.060 -9.743 1.00 33.70 ? 1015 ASN B CA 1 ATOM 2554 C C . ASN B 1 136 ? 65.939 -32.207 -10.548 1.00 40.91 ? 1015 ASN B C 1 ATOM 2555 O O . ASN B 1 136 ? 66.337 -31.225 -11.225 1.00 41.43 ? 1015 ASN B O 1 ATOM 2556 C CB . ASN B 1 136 ? 68.221 -33.281 -10.550 1.00 34.24 ? 1015 ASN B CB 1 ATOM 2557 C CG . ASN B 1 136 ? 69.291 -34.082 -9.862 1.00 46.42 ? 1015 ASN B CG 1 ATOM 2558 O OD1 . ASN B 1 136 ? 69.451 -34.066 -8.625 1.00 32.85 ? 1015 ASN B OD1 1 ATOM 2559 N ND2 . ASN B 1 136 ? 70.055 -34.793 -10.666 1.00 28.99 ? 1015 ASN B ND2 1 ATOM 2560 N N . GLY B 1 137 ? 64.664 -32.587 -10.447 1.00 38.61 ? 1016 GLY B N 1 ATOM 2561 C CA . GLY B 1 137 ? 63.555 -31.940 -11.135 1.00 39.86 ? 1016 GLY B CA 1 ATOM 2562 C C . GLY B 1 137 ? 62.245 -32.681 -10.947 1.00 44.43 ? 1016 GLY B C 1 ATOM 2563 O O . GLY B 1 137 ? 62.201 -33.714 -10.273 1.00 44.69 ? 1016 GLY B O 1 ATOM 2564 N N . LYS B 1 138 ? 61.156 -32.150 -11.511 1.00 40.91 ? 1017 LYS B N 1 ATOM 2565 C CA . LYS B 1 138 ? 59.846 -32.799 -11.385 1.00 40.53 ? 1017 LYS B CA 1 ATOM 2566 C C . LYS B 1 138 ? 59.872 -33.966 -12.334 1.00 43.10 ? 1017 LYS B C 1 ATOM 2567 O O . LYS B 1 138 ? 60.157 -33.759 -13.529 1.00 44.38 ? 1017 LYS B O 1 ATOM 2568 C CB . LYS B 1 138 ? 58.722 -31.808 -11.733 1.00 45.64 ? 1017 LYS B CB 1 ATOM 2569 C CG . LYS B 1 138 ? 57.299 -32.326 -11.584 1.00 54.62 ? 1017 LYS B CG 1 ATOM 2570 C CD . LYS B 1 138 ? 56.316 -31.184 -11.774 1.00 66.00 ? 1017 LYS B CD 1 ATOM 2571 C CE . LYS B 1 138 ? 54.915 -31.532 -11.317 1.00 84.80 ? 1017 LYS B CE 1 ATOM 2572 N NZ . LYS B 1 138 ? 54.004 -30.346 -11.324 1.00 91.01 ? 1017 LYS B NZ 1 ATOM 2573 N N . ILE B 1 139 ? 59.707 -35.203 -11.771 1.00 36.65 ? 1018 ILE B N 1 ATOM 2574 C CA . ILE B 1 139 ? 59.685 -36.485 -12.489 1.00 33.44 ? 1018 ILE B CA 1 ATOM 2575 C C . ILE B 1 139 ? 58.484 -36.502 -13.413 1.00 42.18 ? 1018 ILE B C 1 ATOM 2576 O O . ILE B 1 139 ? 57.327 -36.347 -12.944 1.00 45.64 ? 1018 ILE B O 1 ATOM 2577 C CB . ILE B 1 139 ? 59.662 -37.720 -11.550 1.00 34.26 ? 1018 ILE B CB 1 ATOM 2578 C CG1 . ILE B 1 139 ? 60.940 -37.804 -10.683 1.00 30.27 ? 1018 ILE B CG1 1 ATOM 2579 C CG2 . ILE B 1 139 ? 59.433 -39.030 -12.376 1.00 36.95 ? 1018 ILE B CG2 1 ATOM 2580 C CD1 . ILE B 1 139 ? 62.322 -37.924 -11.482 1.00 20.42 ? 1018 ILE B CD1 1 ATOM 2581 N N . THR B 1 140 ? 58.758 -36.657 -14.726 1.00 37.32 ? 1019 THR B N 1 ATOM 2582 C CA . THR B 1 140 ? 57.719 -36.634 -15.759 1.00 38.25 ? 1019 THR B CA 1 ATOM 2583 C C . THR B 1 140 ? 57.312 -38.037 -16.231 1.00 44.57 ? 1019 THR B C 1 ATOM 2584 O O . THR B 1 140 ? 56.429 -38.170 -17.088 1.00 48.68 ? 1019 THR B O 1 ATOM 2585 C CB . THR B 1 140 ? 58.105 -35.673 -16.881 1.00 38.11 ? 1019 THR B CB 1 ATOM 2586 O OG1 . THR B 1 140 ? 59.343 -36.082 -17.466 1.00 37.09 ? 1019 THR B OG1 1 ATOM 2587 C CG2 . THR B 1 140 ? 58.202 -34.227 -16.409 1.00 35.22 ? 1019 THR B CG2 1 ATOM 2588 N N . GLY B 1 141 ? 57.945 -39.058 -15.649 1.00 38.74 ? 1020 GLY B N 1 ATOM 2589 C CA . GLY B 1 141 ? 57.708 -40.458 -15.975 1.00 38.70 ? 1020 GLY B CA 1 ATOM 2590 C C . GLY B 1 141 ? 58.915 -41.355 -15.775 1.00 41.34 ? 1020 GLY B C 1 ATOM 2591 O O . GLY B 1 141 ? 59.982 -40.884 -15.378 1.00 40.63 ? 1020 GLY B O 1 ATOM 2592 N N . TYR B 1 142 ? 58.749 -42.661 -16.048 1.00 36.70 ? 1021 TYR B N 1 ATOM 2593 C CA . TYR B 1 142 ? 59.782 -43.703 -15.957 1.00 35.00 ? 1021 TYR B CA 1 ATOM 2594 C C . TYR B 1 142 ? 59.747 -44.549 -17.216 1.00 39.27 ? 1021 TYR B C 1 ATOM 2595 O O . TYR B 1 142 ? 58.792 -44.469 -17.967 1.00 41.68 ? 1021 TYR B O 1 ATOM 2596 C CB . TYR B 1 142 ? 59.558 -44.622 -14.723 1.00 36.62 ? 1021 TYR B CB 1 ATOM 2597 C CG . TYR B 1 142 ? 59.567 -43.899 -13.394 1.00 38.21 ? 1021 TYR B CG 1 ATOM 2598 C CD1 . TYR B 1 142 ? 58.420 -43.260 -12.910 1.00 41.18 ? 1021 TYR B CD1 1 ATOM 2599 C CD2 . TYR B 1 142 ? 60.717 -43.844 -12.618 1.00 36.52 ? 1021 TYR B CD2 1 ATOM 2600 C CE1 . TYR B 1 142 ? 58.439 -42.545 -11.709 1.00 40.15 ? 1021 TYR B CE1 1 ATOM 2601 C CE2 . TYR B 1 142 ? 60.741 -43.136 -11.414 1.00 35.48 ? 1021 TYR B CE2 1 ATOM 2602 C CZ . TYR B 1 142 ? 59.606 -42.478 -10.976 1.00 39.47 ? 1021 TYR B CZ 1 ATOM 2603 O OH . TYR B 1 142 ? 59.610 -41.786 -9.798 1.00 46.32 ? 1021 TYR B OH 1 ATOM 2604 N N . ILE B 1 143 ? 60.770 -45.367 -17.434 1.00 35.66 ? 1022 ILE B N 1 ATOM 2605 C CA . ILE B 1 143 ? 60.819 -46.340 -18.518 1.00 39.60 ? 1022 ILE B CA 1 ATOM 2606 C C . ILE B 1 143 ? 61.234 -47.665 -17.893 1.00 47.83 ? 1022 ILE B C 1 ATOM 2607 O O . ILE B 1 143 ? 62.285 -47.759 -17.249 1.00 46.43 ? 1022 ILE B O 1 ATOM 2608 C CB . ILE B 1 143 ? 61.749 -45.971 -19.713 1.00 44.05 ? 1022 ILE B CB 1 ATOM 2609 C CG1 . ILE B 1 143 ? 61.402 -44.601 -20.290 1.00 44.40 ? 1022 ILE B CG1 1 ATOM 2610 C CG2 . ILE B 1 143 ? 61.701 -47.054 -20.794 1.00 45.81 ? 1022 ILE B CG2 1 ATOM 2611 C CD1 . ILE B 1 143 ? 62.326 -44.103 -21.311 1.00 44.50 ? 1022 ILE B CD1 1 ATOM 2612 N N . ILE B 1 144 ? 60.395 -48.678 -18.063 1.00 47.93 ? 1023 ILE B N 1 ATOM 2613 C CA . ILE B 1 144 ? 60.681 -50.018 -17.590 1.00 48.94 ? 1023 ILE B CA 1 ATOM 2614 C C . ILE B 1 144 ? 61.242 -50.782 -18.790 1.00 57.86 ? 1023 ILE B C 1 ATOM 2615 O O . ILE B 1 144 ? 60.740 -50.649 -19.912 1.00 60.95 ? 1023 ILE B O 1 ATOM 2616 C CB . ILE B 1 144 ? 59.410 -50.683 -17.001 1.00 52.50 ? 1023 ILE B CB 1 ATOM 2617 C CG1 . ILE B 1 144 ? 58.898 -49.903 -15.781 1.00 49.52 ? 1023 ILE B CG1 1 ATOM 2618 C CG2 . ILE B 1 144 ? 59.680 -52.159 -16.639 1.00 56.81 ? 1023 ILE B CG2 1 ATOM 2619 C CD1 . ILE B 1 144 ? 57.489 -50.196 -15.394 1.00 57.86 ? 1023 ILE B CD1 1 ATOM 2620 N N . TYR B 1 145 ? 62.295 -51.561 -18.555 1.00 55.62 ? 1024 TYR B N 1 ATOM 2621 C CA . TYR B 1 145 ? 62.890 -52.409 -19.594 1.00 58.72 ? 1024 TYR B CA 1 ATOM 2622 C C . TYR B 1 145 ? 62.822 -53.828 -19.082 1.00 67.78 ? 1024 TYR B C 1 ATOM 2623 O O . TYR B 1 145 ? 63.085 -54.068 -17.891 1.00 66.91 ? 1024 TYR B O 1 ATOM 2624 C CB . TYR B 1 145 ? 64.362 -52.046 -19.908 1.00 57.72 ? 1024 TYR B CB 1 ATOM 2625 C CG . TYR B 1 145 ? 64.587 -50.629 -20.368 1.00 54.90 ? 1024 TYR B CG 1 ATOM 2626 C CD1 . TYR B 1 145 ? 64.766 -49.600 -19.450 1.00 51.76 ? 1024 TYR B CD1 1 ATOM 2627 C CD2 . TYR B 1 145 ? 64.699 -50.325 -21.727 1.00 57.31 ? 1024 TYR B CD2 1 ATOM 2628 C CE1 . TYR B 1 145 ? 64.976 -48.295 -19.867 1.00 48.57 ? 1024 TYR B CE1 1 ATOM 2629 C CE2 . TYR B 1 145 ? 64.919 -49.022 -22.157 1.00 55.98 ? 1024 TYR B CE2 1 ATOM 2630 C CZ . TYR B 1 145 ? 65.069 -48.013 -21.221 1.00 59.60 ? 1024 TYR B CZ 1 ATOM 2631 O OH . TYR B 1 145 ? 65.292 -46.730 -21.643 1.00 60.75 ? 1024 TYR B OH 1 ATOM 2632 N N . TYR B 1 146 ? 62.448 -54.762 -19.966 1.00 68.30 ? 1025 TYR B N 1 ATOM 2633 C CA . TYR B 1 146 ? 62.432 -56.174 -19.634 1.00 72.42 ? 1025 TYR B CA 1 ATOM 2634 C C . TYR B 1 146 ? 62.936 -57.067 -20.743 1.00 84.34 ? 1025 TYR B C 1 ATOM 2635 O O . TYR B 1 146 ? 62.783 -56.776 -21.936 1.00 85.51 ? 1025 TYR B O 1 ATOM 2636 C CB . TYR B 1 146 ? 61.130 -56.662 -18.999 1.00 74.14 ? 1025 TYR B CB 1 ATOM 2637 C CG . TYR B 1 146 ? 59.934 -56.685 -19.917 1.00 78.25 ? 1025 TYR B CG 1 ATOM 2638 C CD1 . TYR B 1 146 ? 59.117 -55.567 -20.051 1.00 78.10 ? 1025 TYR B CD1 1 ATOM 2639 C CD2 . TYR B 1 146 ? 59.582 -57.840 -20.609 1.00 83.52 ? 1025 TYR B CD2 1 ATOM 2640 C CE1 . TYR B 1 146 ? 57.999 -55.583 -20.882 1.00 81.53 ? 1025 TYR B CE1 1 ATOM 2641 C CE2 . TYR B 1 146 ? 58.464 -57.870 -21.442 1.00 86.62 ? 1025 TYR B CE2 1 ATOM 2642 C CZ . TYR B 1 146 ? 57.669 -56.737 -21.570 1.00 94.02 ? 1025 TYR B CZ 1 ATOM 2643 O OH . TYR B 1 146 ? 56.548 -56.727 -22.373 1.00 98.74 ? 1025 TYR B OH 1 ATOM 2644 N N . SER B 1 147 ? 63.588 -58.140 -20.327 1.00 86.01 ? 1026 SER B N 1 ATOM 2645 C CA . SER B 1 147 ? 64.149 -59.123 -21.223 1.00 92.74 ? 1026 SER B CA 1 ATOM 2646 C C . SER B 1 147 ? 64.117 -60.472 -20.539 1.00 103.30 ? 1026 SER B C 1 ATOM 2647 O O . SER B 1 147 ? 64.013 -60.548 -19.304 1.00 101.22 ? 1026 SER B O 1 ATOM 2648 C CB . SER B 1 147 ? 65.591 -58.757 -21.559 1.00 96.96 ? 1026 SER B CB 1 ATOM 2649 O OG . SER B 1 147 ? 66.200 -59.738 -22.383 1.00 112.19 ? 1026 SER B OG 1 ATOM 2650 N N . THR B 1 148 ? 64.215 -61.537 -21.352 1.00 107.16 ? 1027 THR B N 1 ATOM 2651 C CA . THR B 1 148 ? 64.314 -62.914 -20.875 1.00 112.53 ? 1027 THR B CA 1 ATOM 2652 C C . THR B 1 148 ? 65.799 -63.330 -20.866 1.00 120.41 ? 1027 THR B C 1 ATOM 2653 O O . THR B 1 148 ? 66.135 -64.377 -20.311 1.00 124.14 ? 1027 THR B O 1 ATOM 2654 C CB . THR B 1 148 ? 63.418 -63.840 -21.678 1.00 126.51 ? 1027 THR B CB 1 ATOM 2655 O OG1 . THR B 1 148 ? 63.619 -63.582 -23.067 1.00 130.61 ? 1027 THR B OG1 1 ATOM 2656 C CG2 . THR B 1 148 ? 61.954 -63.681 -21.313 1.00 122.02 ? 1027 THR B CG2 1 ATOM 2657 N N . ASP B 1 149 ? 66.680 -62.478 -21.464 1.00 115.44 ? 1028 ASP B N 1 ATOM 2658 C CA . ASP B 1 149 ? 68.145 -62.601 -21.516 1.00 117.47 ? 1028 ASP B CA 1 ATOM 2659 C C . ASP B 1 149 ? 68.716 -61.351 -20.844 1.00 115.47 ? 1028 ASP B C 1 ATOM 2660 O O . ASP B 1 149 ? 68.567 -60.240 -21.358 1.00 111.24 ? 1028 ASP B O 1 ATOM 2661 C CB . ASP B 1 149 ? 68.654 -62.729 -22.974 1.00 123.60 ? 1028 ASP B CB 1 ATOM 2662 C CG . ASP B 1 149 ? 70.166 -62.890 -23.165 1.00 130.21 ? 1028 ASP B CG 1 ATOM 2663 O OD1 . ASP B 1 149 ? 70.828 -63.474 -22.274 1.00 131.11 ? 1028 ASP B OD1 1 ATOM 2664 O OD2 . ASP B 1 149 ? 70.672 -62.502 -24.240 1.00 135.05 ? 1028 ASP B OD2 1 ATOM 2665 N N . VAL B 1 150 ? 69.321 -61.533 -19.667 1.00 111.28 ? 1029 VAL B N 1 ATOM 2666 C CA . VAL B 1 150 ? 69.893 -60.450 -18.874 1.00 105.61 ? 1029 VAL B CA 1 ATOM 2667 C C . VAL B 1 150 ? 71.097 -59.839 -19.611 1.00 110.32 ? 1029 VAL B C 1 ATOM 2668 O O . VAL B 1 150 ? 71.384 -58.649 -19.485 1.00 105.52 ? 1029 VAL B O 1 ATOM 2669 C CB . VAL B 1 150 ? 70.224 -60.964 -17.451 1.00 109.98 ? 1029 VAL B CB 1 ATOM 2670 C CG1 . VAL B 1 150 ? 71.312 -62.038 -17.467 1.00 115.97 ? 1029 VAL B CG1 1 ATOM 2671 C CG2 . VAL B 1 150 ? 70.584 -59.822 -16.511 1.00 104.35 ? 1029 VAL B CG2 1 ATOM 2672 N N . ASN B 1 151 ? 71.745 -60.656 -20.426 1.00 113.56 ? 1030 ASN B N 1 ATOM 2673 C CA . ASN B 1 151 ? 72.909 -60.280 -21.198 1.00 115.82 ? 1030 ASN B CA 1 ATOM 2674 C C . ASN B 1 151 ? 72.594 -59.584 -22.519 1.00 120.70 ? 1030 ASN B C 1 ATOM 2675 O O . ASN B 1 151 ? 73.507 -59.041 -23.137 1.00 121.43 ? 1030 ASN B O 1 ATOM 2676 C CB . ASN B 1 151 ? 73.817 -61.484 -21.378 1.00 124.70 ? 1030 ASN B CB 1 ATOM 2677 C CG . ASN B 1 151 ? 74.405 -61.948 -20.069 1.00 146.86 ? 1030 ASN B CG 1 ATOM 2678 O OD1 . ASN B 1 151 ? 75.080 -61.193 -19.346 1.00 132.58 ? 1030 ASN B OD1 1 ATOM 2679 N ND2 . ASN B 1 151 ? 74.133 -63.195 -19.724 1.00 146.13 ? 1030 ASN B ND2 1 ATOM 2680 N N . ALA B 1 152 ? 71.309 -59.542 -22.925 1.00 116.72 ? 1031 ALA B N 1 ATOM 2681 C CA . ALA B 1 152 ? 70.859 -58.874 -24.153 1.00 116.60 ? 1031 ALA B CA 1 ATOM 2682 C C . ALA B 1 152 ? 71.183 -57.387 -24.124 1.00 115.17 ? 1031 ALA B C 1 ATOM 2683 O O . ALA B 1 152 ? 71.194 -56.768 -23.047 1.00 109.27 ? 1031 ALA B O 1 ATOM 2684 C CB . ALA B 1 152 ? 69.360 -59.061 -24.333 1.00 116.84 ? 1031 ALA B CB 1 ATOM 2685 N N . GLU B 1 153 ? 71.475 -56.820 -25.313 1.00 113.81 ? 1032 GLU B N 1 ATOM 2686 C CA . GLU B 1 153 ? 71.769 -55.392 -25.445 1.00 109.19 ? 1032 GLU B CA 1 ATOM 2687 C C . GLU B 1 153 ? 70.474 -54.627 -25.267 1.00 103.94 ? 1032 GLU B C 1 ATOM 2688 O O . GLU B 1 153 ? 69.413 -55.144 -25.637 1.00 104.34 ? 1032 GLU B O 1 ATOM 2689 C CB . GLU B 1 153 ? 72.425 -55.084 -26.792 1.00 115.43 ? 1032 GLU B CB 1 ATOM 2690 C CG . GLU B 1 153 ? 73.862 -54.626 -26.649 1.00 132.15 ? 1032 GLU B CG 1 ATOM 2691 C CD . GLU B 1 153 ? 74.554 -54.306 -27.959 1.00 164.99 ? 1032 GLU B CD 1 ATOM 2692 O OE1 . GLU B 1 153 ? 75.051 -55.249 -28.618 1.00 153.65 ? 1032 GLU B OE1 1 ATOM 2693 O OE2 . GLU B 1 153 ? 74.614 -53.107 -28.317 1.00 164.77 ? 1032 GLU B OE2 1 ATOM 2694 N N . ILE B 1 154 ? 70.555 -53.416 -24.679 1.00 92.43 ? 1033 ILE B N 1 ATOM 2695 C CA . ILE B 1 154 ? 69.395 -52.581 -24.344 1.00 86.44 ? 1033 ILE B CA 1 ATOM 2696 C C . ILE B 1 154 ? 68.378 -52.348 -25.473 1.00 92.24 ? 1033 ILE B C 1 ATOM 2697 O O . ILE B 1 154 ? 67.166 -52.239 -25.210 1.00 91.02 ? 1033 ILE B O 1 ATOM 2698 C CB . ILE B 1 154 ? 69.785 -51.323 -23.532 1.00 82.88 ? 1033 ILE B CB 1 ATOM 2699 C CG1 . ILE B 1 154 ? 68.670 -50.895 -22.532 1.00 78.72 ? 1033 ILE B CG1 1 ATOM 2700 C CG2 . ILE B 1 154 ? 70.294 -50.192 -24.425 1.00 81.22 ? 1033 ILE B CG2 1 ATOM 2701 C CD1 . ILE B 1 154 ? 68.602 -51.726 -21.135 1.00 82.02 ? 1033 ILE B CD1 1 ATOM 2702 N N . HIS B 1 155 ? 68.867 -52.337 -26.724 1.00 91.30 ? 1034 HIS B N 1 ATOM 2703 C CA . HIS B 1 155 ? 68.006 -52.193 -27.891 1.00 94.20 ? 1034 HIS B CA 1 ATOM 2704 C C . HIS B 1 155 ? 67.039 -53.394 -28.054 1.00 99.71 ? 1034 HIS B C 1 ATOM 2705 O O . HIS B 1 155 ? 65.906 -53.213 -28.514 1.00 99.22 ? 1034 HIS B O 1 ATOM 2706 C CB . HIS B 1 155 ? 68.817 -51.921 -29.172 1.00 99.72 ? 1034 HIS B CB 1 ATOM 2707 C CG . HIS B 1 155 ? 69.826 -52.974 -29.556 1.00 108.48 ? 1034 HIS B CG 1 ATOM 2708 N ND1 . HIS B 1 155 ? 69.447 -54.157 -30.177 1.00 115.97 ? 1034 HIS B ND1 1 ATOM 2709 C CD2 . HIS B 1 155 ? 71.178 -52.941 -29.479 1.00 110.87 ? 1034 HIS B CD2 1 ATOM 2710 C CE1 . HIS B 1 155 ? 70.571 -54.814 -30.416 1.00 119.59 ? 1034 HIS B CE1 1 ATOM 2711 N NE2 . HIS B 1 155 ? 71.637 -54.124 -30.012 1.00 117.05 ? 1034 HIS B NE2 1 ATOM 2712 N N . ASP B 1 156 ? 67.475 -54.593 -27.609 1.00 96.71 ? 1035 ASP B N 1 ATOM 2713 C CA . ASP B 1 156 ? 66.695 -55.824 -27.665 1.00 98.73 ? 1035 ASP B CA 1 ATOM 2714 C C . ASP B 1 156 ? 65.740 -55.981 -26.499 1.00 95.85 ? 1035 ASP B C 1 ATOM 2715 O O . ASP B 1 156 ? 64.860 -56.837 -26.559 1.00 97.20 ? 1035 ASP B O 1 ATOM 2716 C CB . ASP B 1 156 ? 67.613 -57.042 -27.802 1.00 106.09 ? 1035 ASP B CB 1 ATOM 2717 C CG . ASP B 1 156 ? 68.369 -57.098 -29.117 1.00 121.71 ? 1035 ASP B CG 1 ATOM 2718 O OD1 . ASP B 1 156 ? 67.876 -56.523 -30.113 1.00 124.56 ? 1035 ASP B OD1 1 ATOM 2719 O OD2 . ASP B 1 156 ? 69.453 -57.718 -29.150 1.00 129.23 ? 1035 ASP B OD2 1 ATOM 2720 N N . TRP B 1 157 ? 65.901 -55.152 -25.447 1.00 86.62 ? 1036 TRP B N 1 ATOM 2721 C CA . TRP B 1 157 ? 65.027 -55.138 -24.271 1.00 82.29 ? 1036 TRP B CA 1 ATOM 2722 C C . TRP B 1 157 ? 63.702 -54.477 -24.647 1.00 86.28 ? 1036 TRP B C 1 ATOM 2723 O O . TRP B 1 157 ? 63.689 -53.532 -25.448 1.00 86.53 ? 1036 TRP B O 1 ATOM 2724 C CB . TRP B 1 157 ? 65.685 -54.383 -23.116 1.00 75.44 ? 1036 TRP B CB 1 ATOM 2725 C CG . TRP B 1 157 ? 66.756 -55.157 -22.410 1.00 77.57 ? 1036 TRP B CG 1 ATOM 2726 C CD1 . TRP B 1 157 ? 67.939 -55.582 -22.938 1.00 83.98 ? 1036 TRP B CD1 1 ATOM 2727 C CD2 . TRP B 1 157 ? 66.767 -55.552 -21.022 1.00 75.40 ? 1036 TRP B CD2 1 ATOM 2728 N NE1 . TRP B 1 157 ? 68.683 -56.227 -21.975 1.00 83.71 ? 1036 TRP B NE1 1 ATOM 2729 C CE2 . TRP B 1 157 ? 67.990 -56.217 -20.788 1.00 81.51 ? 1036 TRP B CE2 1 ATOM 2730 C CE3 . TRP B 1 157 ? 65.865 -55.400 -19.945 1.00 73.21 ? 1036 TRP B CE3 1 ATOM 2731 C CZ2 . TRP B 1 157 ? 68.315 -56.769 -19.529 1.00 79.83 ? 1036 TRP B CZ2 1 ATOM 2732 C CZ3 . TRP B 1 157 ? 66.193 -55.931 -18.699 1.00 73.88 ? 1036 TRP B CZ3 1 ATOM 2733 C CH2 . TRP B 1 157 ? 67.397 -56.615 -18.501 1.00 77.05 ? 1036 TRP B CH2 1 ATOM 2734 N N . VAL B 1 158 ? 62.587 -54.994 -24.097 1.00 81.98 ? 1037 VAL B N 1 ATOM 2735 C CA . VAL B 1 158 ? 61.241 -54.471 -24.359 1.00 80.62 ? 1037 VAL B CA 1 ATOM 2736 C C . VAL B 1 158 ? 61.044 -53.190 -23.527 1.00 79.18 ? 1037 VAL B C 1 ATOM 2737 O O . VAL B 1 158 ? 61.223 -53.214 -22.301 1.00 76.52 ? 1037 VAL B O 1 ATOM 2738 C CB . VAL B 1 158 ? 60.140 -55.521 -24.055 1.00 86.41 ? 1037 VAL B CB 1 ATOM 2739 C CG1 . VAL B 1 158 ? 58.774 -55.031 -24.518 1.00 86.35 ? 1037 VAL B CG1 1 ATOM 2740 C CG2 . VAL B 1 158 ? 60.463 -56.868 -24.689 1.00 92.02 ? 1037 VAL B CG2 1 ATOM 2741 N N . ILE B 1 159 ? 60.687 -52.080 -24.198 1.00 73.08 ? 1038 ILE B N 1 ATOM 2742 C CA . ILE B 1 159 ? 60.470 -50.791 -23.533 1.00 67.19 ? 1038 ILE B CA 1 ATOM 2743 C C . ILE B 1 159 ? 58.983 -50.656 -23.136 1.00 69.13 ? 1038 ILE B C 1 ATOM 2744 O O . ILE B 1 159 ? 58.100 -50.777 -23.991 1.00 70.80 ? 1038 ILE B O 1 ATOM 2745 C CB . ILE B 1 159 ? 60.962 -49.598 -24.421 1.00 69.41 ? 1038 ILE B CB 1 ATOM 2746 C CG1 . ILE B 1 159 ? 62.485 -49.579 -24.606 1.00 69.23 ? 1038 ILE B CG1 1 ATOM 2747 C CG2 . ILE B 1 159 ? 60.483 -48.256 -23.900 1.00 65.46 ? 1038 ILE B CG2 1 ATOM 2748 C CD1 . ILE B 1 159 ? 63.024 -50.263 -25.894 1.00 83.36 ? 1038 ILE B CD1 1 ATOM 2749 N N . GLU B 1 160 ? 58.730 -50.415 -21.828 1.00 62.00 ? 1039 GLU B N 1 ATOM 2750 C CA . GLU B 1 160 ? 57.413 -50.188 -21.237 1.00 60.51 ? 1039 GLU B CA 1 ATOM 2751 C C . GLU B 1 160 ? 57.427 -48.788 -20.606 1.00 58.74 ? 1039 GLU B C 1 ATOM 2752 O O . GLU B 1 160 ? 57.908 -48.644 -19.482 1.00 56.65 ? 1039 GLU B O 1 ATOM 2753 C CB . GLU B 1 160 ? 57.076 -51.256 -20.174 1.00 62.28 ? 1039 GLU B CB 1 ATOM 2754 C CG . GLU B 1 160 ? 56.261 -52.440 -20.673 1.00 79.60 ? 1039 GLU B CG 1 ATOM 2755 C CD . GLU B 1 160 ? 54.862 -52.185 -21.200 1.00 108.58 ? 1039 GLU B CD 1 ATOM 2756 O OE1 . GLU B 1 160 ? 54.193 -51.243 -20.713 1.00 91.42 ? 1039 GLU B OE1 1 ATOM 2757 O OE2 . GLU B 1 160 ? 54.428 -52.952 -22.091 1.00 116.51 ? 1039 GLU B OE2 1 ATOM 2758 N N . PRO B 1 161 ? 56.966 -47.732 -21.314 1.00 52.90 ? 1040 PRO B N 1 ATOM 2759 C CA . PRO B 1 161 ? 56.989 -46.387 -20.707 1.00 49.41 ? 1040 PRO B CA 1 ATOM 2760 C C . PRO B 1 161 ? 55.930 -46.181 -19.628 1.00 53.29 ? 1040 PRO B C 1 ATOM 2761 O O . PRO B 1 161 ? 54.895 -46.857 -19.640 1.00 55.58 ? 1040 PRO B O 1 ATOM 2762 C CB . PRO B 1 161 ? 56.771 -45.446 -21.897 1.00 52.37 ? 1040 PRO B CB 1 ATOM 2763 C CG . PRO B 1 161 ? 56.643 -46.320 -23.117 1.00 59.53 ? 1040 PRO B CG 1 ATOM 2764 C CD . PRO B 1 161 ? 56.388 -47.705 -22.672 1.00 56.11 ? 1040 PRO B CD 1 ATOM 2765 N N . VAL B 1 162 ? 56.208 -45.279 -18.667 1.00 47.48 ? 1041 VAL B N 1 ATOM 2766 C CA . VAL B 1 162 ? 55.318 -44.959 -17.545 1.00 47.25 ? 1041 VAL B CA 1 ATOM 2767 C C . VAL B 1 162 ? 55.174 -43.464 -17.571 1.00 53.96 ? 1041 VAL B C 1 ATOM 2768 O O . VAL B 1 162 ? 56.148 -42.764 -17.354 1.00 54.51 ? 1041 VAL B O 1 ATOM 2769 C CB . VAL B 1 162 ? 55.876 -45.464 -16.167 1.00 48.30 ? 1041 VAL B CB 1 ATOM 2770 C CG1 . VAL B 1 162 ? 54.962 -45.060 -15.003 1.00 48.18 ? 1041 VAL B CG1 1 ATOM 2771 C CG2 . VAL B 1 162 ? 56.114 -46.973 -16.164 1.00 48.75 ? 1041 VAL B CG2 1 ATOM 2772 N N . VAL B 1 163 ? 53.989 -42.969 -17.876 1.00 52.25 ? 1042 VAL B N 1 ATOM 2773 C CA . VAL B 1 163 ? 53.737 -41.525 -17.968 1.00 51.86 ? 1042 VAL B CA 1 ATOM 2774 C C . VAL B 1 163 ? 53.411 -40.876 -16.607 1.00 55.24 ? 1042 VAL B C 1 ATOM 2775 O O . VAL B 1 163 ? 52.445 -41.245 -15.958 1.00 57.11 ? 1042 VAL B O 1 ATOM 2776 C CB . VAL B 1 163 ? 52.700 -41.206 -19.085 1.00 57.82 ? 1042 VAL B CB 1 ATOM 2777 C CG1 . VAL B 1 163 ? 52.469 -39.706 -19.231 1.00 58.50 ? 1042 VAL B CG1 1 ATOM 2778 C CG2 . VAL B 1 163 ? 53.128 -41.813 -20.422 1.00 58.26 ? 1042 VAL B CG2 1 ATOM 2779 N N . GLY B 1 164 ? 54.224 -39.912 -16.212 1.00 51.20 ? 1043 GLY B N 1 ATOM 2780 C CA . GLY B 1 164 ? 54.073 -39.168 -14.964 1.00 51.37 ? 1043 GLY B CA 1 ATOM 2781 C C . GLY B 1 164 ? 54.693 -39.834 -13.755 1.00 54.17 ? 1043 GLY B C 1 ATOM 2782 O O . GLY B 1 164 ? 55.308 -40.897 -13.878 1.00 52.43 ? 1043 GLY B O 1 ATOM 2783 N N . ASN B 1 165 ? 54.524 -39.213 -12.568 1.00 52.03 ? 1044 ASN B N 1 ATOM 2784 C CA . ASN B 1 165 ? 55.032 -39.789 -11.331 1.00 50.77 ? 1044 ASN B CA 1 ATOM 2785 C C . ASN B 1 165 ? 54.021 -40.842 -10.810 1.00 57.01 ? 1044 ASN B C 1 ATOM 2786 O O . ASN B 1 165 ? 53.111 -40.551 -10.032 1.00 61.06 ? 1044 ASN B O 1 ATOM 2787 C CB . ASN B 1 165 ? 55.417 -38.712 -10.302 1.00 49.03 ? 1044 ASN B CB 1 ATOM 2788 C CG . ASN B 1 165 ? 56.729 -38.979 -9.573 1.00 82.41 ? 1044 ASN B CG 1 ATOM 2789 O OD1 . ASN B 1 165 ? 57.296 -40.102 -9.567 1.00 69.03 ? 1044 ASN B OD1 1 ATOM 2790 N ND2 . ASN B 1 165 ? 57.242 -37.937 -8.918 1.00 82.22 ? 1044 ASN B ND2 1 ATOM 2791 N N . ARG B 1 166 ? 54.145 -42.043 -11.361 1.00 50.37 ? 1045 ARG B N 1 ATOM 2792 C CA . ARG B 1 166 ? 53.394 -43.250 -11.047 1.00 50.42 ? 1045 ARG B CA 1 ATOM 2793 C C . ARG B 1 166 ? 54.489 -44.187 -10.584 1.00 49.49 ? 1045 ARG B C 1 ATOM 2794 O O . ARG B 1 166 ? 55.587 -44.184 -11.169 1.00 45.69 ? 1045 ARG B O 1 ATOM 2795 C CB . ARG B 1 166 ? 52.703 -43.824 -12.299 1.00 52.34 ? 1045 ARG B CB 1 ATOM 2796 C CG . ARG B 1 166 ? 51.456 -43.067 -12.754 1.00 63.56 ? 1045 ARG B CG 1 ATOM 2797 C CD . ARG B 1 166 ? 50.898 -43.592 -14.083 1.00 74.34 ? 1045 ARG B CD 1 ATOM 2798 N NE . ARG B 1 166 ? 51.080 -45.040 -14.235 1.00 81.79 ? 1045 ARG B NE 1 ATOM 2799 C CZ . ARG B 1 166 ? 51.253 -45.659 -15.397 1.00 88.46 ? 1045 ARG B CZ 1 ATOM 2800 N NH1 . ARG B 1 166 ? 51.244 -44.973 -16.533 1.00 73.23 ? 1045 ARG B NH1 1 ATOM 2801 N NH2 . ARG B 1 166 ? 51.436 -46.968 -15.433 1.00 69.91 ? 1045 ARG B NH2 1 ATOM 2802 N N . LEU B 1 167 ? 54.226 -44.932 -9.501 1.00 45.88 ? 1046 LEU B N 1 ATOM 2803 C CA . LEU B 1 167 ? 55.237 -45.804 -8.919 1.00 43.74 ? 1046 LEU B CA 1 ATOM 2804 C C . LEU B 1 167 ? 54.902 -47.267 -9.047 1.00 50.64 ? 1046 LEU B C 1 ATOM 2805 O O . LEU B 1 167 ? 55.617 -48.111 -8.506 1.00 54.57 ? 1046 LEU B O 1 ATOM 2806 C CB . LEU B 1 167 ? 55.480 -45.406 -7.458 1.00 42.86 ? 1046 LEU B CB 1 ATOM 2807 C CG . LEU B 1 167 ? 56.007 -44.007 -7.250 1.00 42.73 ? 1046 LEU B CG 1 ATOM 2808 C CD1 . LEU B 1 167 ? 56.024 -43.682 -5.814 1.00 42.73 ? 1046 LEU B CD1 1 ATOM 2809 C CD2 . LEU B 1 167 ? 57.403 -43.829 -7.876 1.00 41.74 ? 1046 LEU B CD2 1 ATOM 2810 N N . THR B 1 168 ? 53.835 -47.561 -9.781 1.00 44.91 ? 1047 THR B N 1 ATOM 2811 C CA . THR B 1 168 ? 53.323 -48.888 -10.038 1.00 46.22 ? 1047 THR B CA 1 ATOM 2812 C C . THR B 1 168 ? 52.971 -49.036 -11.502 1.00 51.91 ? 1047 THR B C 1 ATOM 2813 O O . THR B 1 168 ? 52.524 -48.067 -12.130 1.00 50.48 ? 1047 THR B O 1 ATOM 2814 C CB . THR B 1 168 ? 52.153 -49.213 -9.096 1.00 51.22 ? 1047 THR B CB 1 ATOM 2815 O OG1 . THR B 1 168 ? 51.803 -50.584 -9.285 1.00 60.43 ? 1047 THR B OG1 1 ATOM 2816 C CG2 . THR B 1 168 ? 50.953 -48.288 -9.240 1.00 45.04 ? 1047 THR B CG2 1 ATOM 2817 N N . HIS B 1 169 ? 53.153 -50.242 -12.055 1.00 51.02 ? 1048 HIS B N 1 ATOM 2818 C CA . HIS B 1 169 ? 52.837 -50.487 -13.458 1.00 51.46 ? 1048 HIS B CA 1 ATOM 2819 C C . HIS B 1 169 ? 52.654 -51.960 -13.711 1.00 55.19 ? 1048 HIS B C 1 ATOM 2820 O O . HIS B 1 169 ? 53.499 -52.758 -13.312 1.00 54.60 ? 1048 HIS B O 1 ATOM 2821 C CB . HIS B 1 169 ? 53.930 -49.884 -14.353 1.00 50.67 ? 1048 HIS B CB 1 ATOM 2822 C CG . HIS B 1 169 ? 53.712 -50.072 -15.819 1.00 55.75 ? 1048 HIS B CG 1 ATOM 2823 N ND1 . HIS B 1 169 ? 52.937 -49.198 -16.541 1.00 57.97 ? 1048 HIS B ND1 1 ATOM 2824 C CD2 . HIS B 1 169 ? 54.216 -51.011 -16.655 1.00 59.16 ? 1048 HIS B CD2 1 ATOM 2825 C CE1 . HIS B 1 169 ? 52.972 -49.639 -17.785 1.00 59.64 ? 1048 HIS B CE1 1 ATOM 2826 N NE2 . HIS B 1 169 ? 53.734 -50.729 -17.898 1.00 60.80 ? 1048 HIS B NE2 1 ATOM 2827 N N . GLN B 1 170 ? 51.556 -52.316 -14.382 1.00 54.07 ? 1049 GLN B N 1 ATOM 2828 C CA . GLN B 1 170 ? 51.194 -53.700 -14.698 1.00 58.57 ? 1049 GLN B CA 1 ATOM 2829 C C . GLN B 1 170 ? 51.638 -54.124 -16.114 1.00 66.60 ? 1049 GLN B C 1 ATOM 2830 O O . GLN B 1 170 ? 51.446 -53.372 -17.069 1.00 67.29 ? 1049 GLN B O 1 ATOM 2831 C CB . GLN B 1 170 ? 49.682 -53.865 -14.536 1.00 62.75 ? 1049 GLN B CB 1 ATOM 2832 C CG . GLN B 1 170 ? 49.223 -55.297 -14.482 1.00 90.42 ? 1049 GLN B CG 1 ATOM 2833 C CD . GLN B 1 170 ? 47.723 -55.433 -14.513 1.00 113.04 ? 1049 GLN B CD 1 ATOM 2834 O OE1 . GLN B 1 170 ? 47.148 -56.239 -13.788 1.00 114.82 ? 1049 GLN B OE1 1 ATOM 2835 N NE2 . GLN B 1 170 ? 47.060 -54.723 -15.406 1.00 101.91 ? 1049 GLN B NE2 1 ATOM 2836 N N . ILE B 1 171 ? 52.235 -55.324 -16.243 1.00 65.20 ? 1050 ILE B N 1 ATOM 2837 C CA . ILE B 1 171 ? 52.700 -55.862 -17.532 1.00 66.91 ? 1050 ILE B CA 1 ATOM 2838 C C . ILE B 1 171 ? 52.034 -57.203 -17.763 1.00 76.41 ? 1050 ILE B C 1 ATOM 2839 O O . ILE B 1 171 ? 52.187 -58.102 -16.939 1.00 78.30 ? 1050 ILE B O 1 ATOM 2840 C CB . ILE B 1 171 ? 54.259 -55.959 -17.638 1.00 68.03 ? 1050 ILE B CB 1 ATOM 2841 C CG1 . ILE B 1 171 ? 54.945 -54.581 -17.367 1.00 63.03 ? 1050 ILE B CG1 1 ATOM 2842 C CG2 . ILE B 1 171 ? 54.686 -56.562 -18.998 1.00 70.86 ? 1050 ILE B CG2 1 ATOM 2843 C CD1 . ILE B 1 171 ? 56.473 -54.633 -17.150 1.00 58.08 ? 1050 ILE B CD1 1 ATOM 2844 N N . GLN B 1 172 ? 51.316 -57.342 -18.883 1.00 75.96 ? 1051 GLN B N 1 ATOM 2845 C CA . GLN B 1 172 ? 50.586 -58.565 -19.239 1.00 81.38 ? 1051 GLN B CA 1 ATOM 2846 C C . GLN B 1 172 ? 51.271 -59.364 -20.363 1.00 90.43 ? 1051 GLN B C 1 ATOM 2847 O O . GLN B 1 172 ? 52.358 -58.997 -20.819 1.00 87.64 ? 1051 GLN B O 1 ATOM 2848 C CB . GLN B 1 172 ? 49.123 -58.230 -19.646 1.00 84.50 ? 1051 GLN B CB 1 ATOM 2849 C CG . GLN B 1 172 ? 48.494 -57.053 -18.896 1.00 95.23 ? 1051 GLN B CG 1 ATOM 2850 C CD . GLN B 1 172 ? 48.665 -55.767 -19.682 1.00 114.12 ? 1051 GLN B CD 1 ATOM 2851 O OE1 . GLN B 1 172 ? 49.786 -55.283 -19.928 1.00 105.37 ? 1051 GLN B OE1 1 ATOM 2852 N NE2 . GLN B 1 172 ? 47.571 -55.233 -20.164 1.00 109.55 ? 1051 GLN B NE2 1 ATOM 2853 N N . GLU B 1 173 ? 50.602 -60.460 -20.819 1.00 94.38 ? 1052 GLU B N 1 ATOM 2854 C CA . GLU B 1 173 ? 51.012 -61.351 -21.920 1.00 99.22 ? 1052 GLU B CA 1 ATOM 2855 C C . GLU B 1 173 ? 52.419 -61.978 -21.764 1.00 102.22 ? 1052 GLU B C 1 ATOM 2856 O O . GLU B 1 173 ? 53.046 -62.356 -22.759 1.00 104.34 ? 1052 GLU B O 1 ATOM 2857 C CB . GLU B 1 173 ? 50.875 -60.649 -23.298 1.00 101.97 ? 1052 GLU B CB 1 ATOM 2858 C CG . GLU B 1 173 ? 49.467 -60.338 -23.780 1.00 115.10 ? 1052 GLU B CG 1 ATOM 2859 C CD . GLU B 1 173 ? 49.399 -60.132 -25.286 1.00 133.42 ? 1052 GLU B CD 1 ATOM 2860 O OE1 . GLU B 1 173 ? 50.468 -59.987 -25.926 1.00 125.95 ? 1052 GLU B OE1 1 ATOM 2861 O OE2 . GLU B 1 173 ? 48.272 -60.132 -25.832 1.00 118.70 ? 1052 GLU B OE2 1 ATOM 2862 N N . LEU B 1 174 ? 52.905 -62.120 -20.524 1.00 95.76 ? 1053 LEU B N 1 ATOM 2863 C CA . LEU B 1 174 ? 54.202 -62.752 -20.308 1.00 96.43 ? 1053 LEU B CA 1 ATOM 2864 C C . LEU B 1 174 ? 54.107 -64.269 -20.390 1.00 109.04 ? 1053 LEU B C 1 ATOM 2865 O O . LEU B 1 174 ? 53.015 -64.834 -20.369 1.00 111.63 ? 1053 LEU B O 1 ATOM 2866 C CB . LEU B 1 174 ? 54.831 -62.317 -18.976 1.00 91.60 ? 1053 LEU B CB 1 ATOM 2867 C CG . LEU B 1 174 ? 55.092 -60.835 -18.755 1.00 89.42 ? 1053 LEU B CG 1 ATOM 2868 C CD1 . LEU B 1 174 ? 55.858 -60.641 -17.510 1.00 86.29 ? 1053 LEU B CD1 1 ATOM 2869 C CD2 . LEU B 1 174 ? 55.843 -60.203 -19.921 1.00 90.69 ? 1053 LEU B CD2 1 ATOM 2870 N N . THR B 1 175 ? 55.262 -64.924 -20.495 1.00 109.98 ? 1054 THR B N 1 ATOM 2871 C CA . THR B 1 175 ? 55.376 -66.379 -20.604 1.00 116.53 ? 1054 THR B CA 1 ATOM 2872 C C . THR B 1 175 ? 55.541 -66.989 -19.220 1.00 120.45 ? 1054 THR B C 1 ATOM 2873 O O . THR B 1 175 ? 56.238 -66.421 -18.382 1.00 115.98 ? 1054 THR B O 1 ATOM 2874 C CB . THR B 1 175 ? 56.531 -66.695 -21.544 1.00 125.63 ? 1054 THR B CB 1 ATOM 2875 O OG1 . THR B 1 175 ? 56.249 -66.097 -22.810 1.00 125.45 ? 1054 THR B OG1 1 ATOM 2876 C CG2 . THR B 1 175 ? 56.770 -68.171 -21.702 1.00 129.32 ? 1054 THR B CG2 1 ATOM 2877 N N . LEU B 1 176 ? 54.892 -68.135 -18.989 1.00 122.18 ? 1055 LEU B N 1 ATOM 2878 C CA . LEU B 1 176 ? 54.922 -68.846 -17.716 1.00 123.50 ? 1055 LEU B CA 1 ATOM 2879 C C . LEU B 1 176 ? 56.229 -69.590 -17.476 1.00 133.19 ? 1055 LEU B C 1 ATOM 2880 O O . LEU B 1 176 ? 56.937 -69.913 -18.434 1.00 136.53 ? 1055 LEU B O 1 ATOM 2881 C CB . LEU B 1 176 ? 53.709 -69.790 -17.594 1.00 127.46 ? 1055 LEU B CB 1 ATOM 2882 C CG . LEU B 1 176 ? 52.350 -69.139 -17.276 1.00 127.68 ? 1055 LEU B CG 1 ATOM 2883 C CD1 . LEU B 1 176 ? 51.525 -70.058 -16.458 1.00 130.60 ? 1055 LEU B CD1 1 ATOM 2884 C CD2 . LEU B 1 176 ? 52.493 -67.863 -16.458 1.00 122.92 ? 1055 LEU B CD2 1 ATOM 2885 N N . ASP B 1 177 ? 56.558 -69.838 -16.188 1.00 130.11 ? 1056 ASP B N 1 ATOM 2886 C CA . ASP B 1 177 ? 57.769 -70.539 -15.742 1.00 133.58 ? 1056 ASP B CA 1 ATOM 2887 C C . ASP B 1 177 ? 59.031 -69.980 -16.423 1.00 136.28 ? 1056 ASP B C 1 ATOM 2888 O O . ASP B 1 177 ? 59.846 -70.738 -16.961 1.00 142.31 ? 1056 ASP B O 1 ATOM 2889 C CB . ASP B 1 177 ? 57.616 -72.059 -15.953 1.00 143.65 ? 1056 ASP B CB 1 ATOM 2890 C CG . ASP B 1 177 ? 58.578 -72.899 -15.142 1.00 153.86 ? 1056 ASP B CG 1 ATOM 2891 O OD1 . ASP B 1 177 ? 58.906 -72.494 -13.999 1.00 150.40 ? 1056 ASP B OD1 1 ATOM 2892 O OD2 . ASP B 1 177 ? 58.991 -73.970 -15.639 1.00 163.52 ? 1056 ASP B OD2 1 ATOM 2893 N N . THR B 1 178 ? 59.164 -68.645 -16.432 1.00 124.29 ? 1057 THR B N 1 ATOM 2894 C CA . THR B 1 178 ? 60.266 -67.997 -17.125 1.00 121.38 ? 1057 THR B CA 1 ATOM 2895 C C . THR B 1 178 ? 60.873 -66.875 -16.314 1.00 121.42 ? 1057 THR B C 1 ATOM 2896 O O . THR B 1 178 ? 60.135 -65.985 -15.884 1.00 116.62 ? 1057 THR B O 1 ATOM 2897 C CB . THR B 1 178 ? 59.768 -67.467 -18.500 1.00 117.05 ? 1057 THR B CB 1 ATOM 2898 O OG1 . THR B 1 178 ? 59.382 -68.556 -19.331 1.00 120.62 ? 1057 THR B OG1 1 ATOM 2899 C CG2 . THR B 1 178 ? 60.799 -66.619 -19.231 1.00 109.21 ? 1057 THR B CG2 1 ATOM 2900 N N . PRO B 1 179 ? 62.222 -66.838 -16.170 1.00 119.62 ? 1058 PRO B N 1 ATOM 2901 C CA . PRO B 1 179 ? 62.857 -65.674 -15.534 1.00 113.73 ? 1058 PRO B CA 1 ATOM 2902 C C . PRO B 1 179 ? 62.868 -64.488 -16.506 1.00 112.55 ? 1058 PRO B C 1 ATOM 2903 O O . PRO B 1 179 ? 63.285 -64.595 -17.668 1.00 113.05 ? 1058 PRO B O 1 ATOM 2904 C CB . PRO B 1 179 ? 64.292 -66.147 -15.245 1.00 118.79 ? 1058 PRO B CB 1 ATOM 2905 C CG . PRO B 1 179 ? 64.330 -67.607 -15.622 1.00 130.85 ? 1058 PRO B CG 1 ATOM 2906 C CD . PRO B 1 179 ? 63.241 -67.802 -16.627 1.00 127.49 ? 1058 PRO B CD 1 ATOM 2907 N N . TYR B 1 180 ? 62.331 -63.373 -16.026 1.00 104.95 ? 1059 TYR B N 1 ATOM 2908 C CA . TYR B 1 180 ? 62.284 -62.091 -16.713 1.00 100.77 ? 1059 TYR B CA 1 ATOM 2909 C C . TYR B 1 180 ? 63.158 -61.148 -15.871 1.00 102.32 ? 1059 TYR B C 1 ATOM 2910 O O . TYR B 1 180 ? 63.297 -61.349 -14.654 1.00 102.72 ? 1059 TYR B O 1 ATOM 2911 C CB . TYR B 1 180 ? 60.843 -61.565 -16.794 1.00 98.79 ? 1059 TYR B CB 1 ATOM 2912 C CG . TYR B 1 180 ? 60.048 -62.083 -17.972 1.00 102.87 ? 1059 TYR B CG 1 ATOM 2913 C CD1 . TYR B 1 180 ? 59.262 -63.226 -17.859 1.00 107.82 ? 1059 TYR B CD1 1 ATOM 2914 C CD2 . TYR B 1 180 ? 60.003 -61.377 -19.168 1.00 103.66 ? 1059 TYR B CD2 1 ATOM 2915 C CE1 . TYR B 1 180 ? 58.506 -63.694 -18.933 1.00 112.29 ? 1059 TYR B CE1 1 ATOM 2916 C CE2 . TYR B 1 180 ? 59.256 -61.838 -20.251 1.00 108.05 ? 1059 TYR B CE2 1 ATOM 2917 C CZ . TYR B 1 180 ? 58.515 -63.002 -20.133 1.00 117.67 ? 1059 TYR B CZ 1 ATOM 2918 O OH . TYR B 1 180 ? 57.771 -63.454 -21.198 1.00 119.61 ? 1059 TYR B OH 1 ATOM 2919 N N . TYR B 1 181 ? 63.768 -60.147 -16.529 1.00 95.30 ? 1060 TYR B N 1 ATOM 2920 C CA . TYR B 1 181 ? 64.666 -59.181 -15.898 1.00 90.65 ? 1060 TYR B CA 1 ATOM 2921 C C . TYR B 1 181 ? 64.128 -57.773 -16.055 1.00 85.07 ? 1060 TYR B C 1 ATOM 2922 O O . TYR B 1 181 ? 63.543 -57.468 -17.087 1.00 84.12 ? 1060 TYR B O 1 ATOM 2923 C CB . TYR B 1 181 ? 66.078 -59.343 -16.473 1.00 94.94 ? 1060 TYR B CB 1 ATOM 2924 C CG . TYR B 1 181 ? 66.617 -60.739 -16.225 1.00 103.34 ? 1060 TYR B CG 1 ATOM 2925 C CD1 . TYR B 1 181 ? 67.185 -61.079 -14.999 1.00 105.95 ? 1060 TYR B CD1 1 ATOM 2926 C CD2 . TYR B 1 181 ? 66.493 -61.740 -17.187 1.00 109.68 ? 1060 TYR B CD2 1 ATOM 2927 C CE1 . TYR B 1 181 ? 67.627 -62.375 -14.741 1.00 112.36 ? 1060 TYR B CE1 1 ATOM 2928 C CE2 . TYR B 1 181 ? 66.948 -63.035 -16.946 1.00 116.63 ? 1060 TYR B CE2 1 ATOM 2929 C CZ . TYR B 1 181 ? 67.508 -63.349 -15.717 1.00 124.38 ? 1060 TYR B CZ 1 ATOM 2930 O OH . TYR B 1 181 ? 67.964 -64.619 -15.461 1.00 130.10 ? 1060 TYR B OH 1 ATOM 2931 N N . PHE B 1 182 ? 64.248 -56.939 -15.006 1.00 74.98 ? 1061 PHE B N 1 ATOM 2932 C CA . PHE B 1 182 ? 63.673 -55.596 -15.024 1.00 68.89 ? 1061 PHE B CA 1 ATOM 2933 C C . PHE B 1 182 ? 64.609 -54.453 -14.643 1.00 68.94 ? 1061 PHE B C 1 ATOM 2934 O O . PHE B 1 182 ? 65.199 -54.446 -13.552 1.00 67.95 ? 1061 PHE B O 1 ATOM 2935 C CB . PHE B 1 182 ? 62.386 -55.555 -14.172 1.00 69.26 ? 1061 PHE B CB 1 ATOM 2936 C CG . PHE B 1 182 ? 61.341 -56.555 -14.615 1.00 73.50 ? 1061 PHE B CG 1 ATOM 2937 C CD1 . PHE B 1 182 ? 60.420 -56.233 -15.602 1.00 75.36 ? 1061 PHE B CD1 1 ATOM 2938 C CD2 . PHE B 1 182 ? 61.293 -57.829 -14.063 1.00 78.90 ? 1061 PHE B CD2 1 ATOM 2939 C CE1 . PHE B 1 182 ? 59.499 -57.177 -16.054 1.00 79.10 ? 1061 PHE B CE1 1 ATOM 2940 C CE2 . PHE B 1 182 ? 60.368 -58.770 -14.519 1.00 84.55 ? 1061 PHE B CE2 1 ATOM 2941 C CZ . PHE B 1 182 ? 59.494 -58.443 -15.524 1.00 81.89 ? 1061 PHE B CZ 1 ATOM 2942 N N . LYS B 1 183 ? 64.705 -53.456 -15.536 1.00 63.07 ? 1062 LYS B N 1 ATOM 2943 C CA . LYS B 1 183 ? 65.464 -52.234 -15.276 1.00 59.74 ? 1062 LYS B CA 1 ATOM 2944 C C . LYS B 1 183 ? 64.478 -51.066 -15.389 1.00 59.56 ? 1062 LYS B C 1 ATOM 2945 O O . LYS B 1 183 ? 63.612 -51.062 -16.267 1.00 59.78 ? 1062 LYS B O 1 ATOM 2946 C CB . LYS B 1 183 ? 66.636 -52.047 -16.274 1.00 63.12 ? 1062 LYS B CB 1 ATOM 2947 C CG . LYS B 1 183 ? 67.793 -53.041 -16.127 1.00 70.24 ? 1062 LYS B CG 1 ATOM 2948 C CD . LYS B 1 183 ? 69.025 -52.607 -16.927 1.00 72.64 ? 1062 LYS B CD 1 ATOM 2949 C CE . LYS B 1 183 ? 69.516 -53.631 -17.929 1.00 67.75 ? 1062 LYS B CE 1 ATOM 2950 N NZ . LYS B 1 183 ? 70.862 -53.306 -18.474 1.00 61.01 ? 1062 LYS B NZ 1 ATOM 2951 N N . ILE B 1 184 ? 64.567 -50.111 -14.471 1.00 52.23 ? 1063 ILE B N 1 ATOM 2952 C CA . ILE B 1 184 ? 63.729 -48.918 -14.523 1.00 49.67 ? 1063 ILE B CA 1 ATOM 2953 C C . ILE B 1 184 ? 64.630 -47.700 -14.520 1.00 50.65 ? 1063 ILE B C 1 ATOM 2954 O O . ILE B 1 184 ? 65.665 -47.700 -13.852 1.00 50.71 ? 1063 ILE B O 1 ATOM 2955 C CB . ILE B 1 184 ? 62.642 -48.834 -13.389 1.00 52.67 ? 1063 ILE B CB 1 ATOM 2956 C CG1 . ILE B 1 184 ? 61.945 -50.191 -13.164 1.00 56.36 ? 1063 ILE B CG1 1 ATOM 2957 C CG2 . ILE B 1 184 ? 61.588 -47.711 -13.675 1.00 50.10 ? 1063 ILE B CG2 1 ATOM 2958 C CD1 . ILE B 1 184 ? 60.887 -50.190 -12.099 1.00 57.97 ? 1063 ILE B CD1 1 ATOM 2959 N N . GLN B 1 185 ? 64.238 -46.668 -15.268 1.00 44.75 ? 1064 GLN B N 1 ATOM 2960 C CA . GLN B 1 185 ? 64.926 -45.393 -15.287 1.00 42.87 ? 1064 GLN B CA 1 ATOM 2961 C C . GLN B 1 185 ? 63.935 -44.254 -15.215 1.00 48.49 ? 1064 GLN B C 1 ATOM 2962 O O . GLN B 1 185 ? 62.825 -44.380 -15.713 1.00 50.60 ? 1064 GLN B O 1 ATOM 2963 C CB . GLN B 1 185 ? 65.921 -45.266 -16.443 1.00 44.69 ? 1064 GLN B CB 1 ATOM 2964 C CG . GLN B 1 185 ? 65.356 -45.155 -17.834 1.00 57.52 ? 1064 GLN B CG 1 ATOM 2965 C CD . GLN B 1 185 ? 66.425 -44.757 -18.820 1.00 69.98 ? 1064 GLN B CD 1 ATOM 2966 O OE1 . GLN B 1 185 ? 66.306 -44.931 -20.027 1.00 79.18 ? 1064 GLN B OE1 1 ATOM 2967 N NE2 . GLN B 1 185 ? 67.479 -44.165 -18.349 1.00 44.77 ? 1064 GLN B NE2 1 ATOM 2968 N N . ALA B 1 186 ? 64.305 -43.179 -14.523 1.00 43.89 ? 1065 ALA B N 1 ATOM 2969 C CA . ALA B 1 186 ? 63.447 -42.019 -14.331 1.00 41.69 ? 1065 ALA B CA 1 ATOM 2970 C C . ALA B 1 186 ? 63.690 -40.968 -15.396 1.00 44.18 ? 1065 ALA B C 1 ATOM 2971 O O . ALA B 1 186 ? 64.794 -40.861 -15.945 1.00 43.71 ? 1065 ALA B O 1 ATOM 2972 C CB . ALA B 1 186 ? 63.692 -41.422 -12.955 1.00 41.63 ? 1065 ALA B CB 1 ATOM 2973 N N . ARG B 1 187 ? 62.654 -40.155 -15.640 1.00 40.26 ? 1066 ARG B N 1 ATOM 2974 C CA . ARG B 1 187 ? 62.676 -39.055 -16.584 1.00 40.33 ? 1066 ARG B CA 1 ATOM 2975 C C . ARG B 1 187 ? 62.183 -37.791 -15.899 1.00 41.63 ? 1066 ARG B C 1 ATOM 2976 O O . ARG B 1 187 ? 61.302 -37.838 -15.037 1.00 42.93 ? 1066 ARG B O 1 ATOM 2977 C CB . ARG B 1 187 ? 61.753 -39.358 -17.798 1.00 42.78 ? 1066 ARG B CB 1 ATOM 2978 C CG . ARG B 1 187 ? 61.932 -38.384 -18.955 1.00 52.40 ? 1066 ARG B CG 1 ATOM 2979 C CD . ARG B 1 187 ? 60.677 -38.141 -19.731 1.00 62.35 ? 1066 ARG B CD 1 ATOM 2980 N NE . ARG B 1 187 ? 60.336 -39.296 -20.549 1.00 76.31 ? 1066 ARG B NE 1 ATOM 2981 C CZ . ARG B 1 187 ? 60.723 -39.459 -21.809 1.00 94.09 ? 1066 ARG B CZ 1 ATOM 2982 N NH1 . ARG B 1 187 ? 61.471 -38.538 -22.406 1.00 75.71 ? 1066 ARG B NH1 1 ATOM 2983 N NH2 . ARG B 1 187 ? 60.367 -40.549 -22.482 1.00 87.87 ? 1066 ARG B NH2 1 ATOM 2984 N N . ASN B 1 188 ? 62.735 -36.663 -16.322 1.00 36.08 ? 1067 ASN B N 1 ATOM 2985 C CA . ASN B 1 188 ? 62.280 -35.329 -15.965 1.00 36.33 ? 1067 ASN B CA 1 ATOM 2986 C C . ASN B 1 188 ? 62.400 -34.466 -17.244 1.00 42.67 ? 1067 ASN B C 1 ATOM 2987 O O . ASN B 1 188 ? 62.901 -34.972 -18.275 1.00 43.42 ? 1067 ASN B O 1 ATOM 2988 C CB . ASN B 1 188 ? 63.007 -34.768 -14.752 1.00 27.82 ? 1067 ASN B CB 1 ATOM 2989 C CG . ASN B 1 188 ? 64.433 -34.414 -14.966 1.00 39.78 ? 1067 ASN B CG 1 ATOM 2990 O OD1 . ASN B 1 188 ? 64.859 -34.062 -16.065 1.00 36.16 ? 1067 ASN B OD1 1 ATOM 2991 N ND2 . ASN B 1 188 ? 65.191 -34.427 -13.888 1.00 32.22 ? 1067 ASN B ND2 1 ATOM 2992 N N . SER B 1 189 ? 61.935 -33.201 -17.203 1.00 38.86 ? 1068 SER B N 1 ATOM 2993 C CA . SER B 1 189 ? 61.996 -32.315 -18.373 1.00 40.49 ? 1068 SER B CA 1 ATOM 2994 C C . SER B 1 189 ? 63.360 -32.273 -19.107 1.00 43.43 ? 1068 SER B C 1 ATOM 2995 O O . SER B 1 189 ? 63.383 -32.057 -20.326 1.00 44.22 ? 1068 SER B O 1 ATOM 2996 C CB . SER B 1 189 ? 61.552 -30.898 -18.013 1.00 47.13 ? 1068 SER B CB 1 ATOM 2997 O OG . SER B 1 189 ? 62.578 -30.100 -17.428 1.00 50.48 ? 1068 SER B OG 1 ATOM 2998 N N . LYS B 1 190 ? 64.483 -32.459 -18.360 1.00 37.61 ? 1069 LYS B N 1 ATOM 2999 C CA . LYS B 1 190 ? 65.857 -32.382 -18.884 1.00 35.87 ? 1069 LYS B CA 1 ATOM 3000 C C . LYS B 1 190 ? 66.405 -33.636 -19.548 1.00 41.13 ? 1069 LYS B C 1 ATOM 3001 O O . LYS B 1 190 ? 67.345 -33.536 -20.341 1.00 42.07 ? 1069 LYS B O 1 ATOM 3002 C CB . LYS B 1 190 ? 66.827 -31.783 -17.862 1.00 34.76 ? 1069 LYS B CB 1 ATOM 3003 C CG . LYS B 1 190 ? 66.672 -30.256 -17.719 1.00 25.18 ? 1069 LYS B CG 1 ATOM 3004 C CD . LYS B 1 190 ? 67.490 -29.441 -18.765 1.00 26.98 ? 1069 LYS B CD 1 ATOM 3005 C CE . LYS B 1 190 ? 67.466 -27.942 -18.585 1.00 39.91 ? 1069 LYS B CE 1 ATOM 3006 N NZ . LYS B 1 190 ? 67.551 -27.225 -19.889 1.00 44.72 ? 1069 LYS B NZ 1 ATOM 3007 N N . GLY B 1 191 ? 65.779 -34.775 -19.286 1.00 37.17 ? 1070 GLY B N 1 ATOM 3008 C CA . GLY B 1 191 ? 66.179 -36.040 -19.868 1.00 36.93 ? 1070 GLY B CA 1 ATOM 3009 C C . GLY B 1 191 ? 66.021 -37.228 -18.948 1.00 43.00 ? 1070 GLY B C 1 ATOM 3010 O O . GLY B 1 191 ? 65.235 -37.197 -17.993 1.00 41.23 ? 1070 GLY B O 1 ATOM 3011 N N . MET B 1 192 ? 66.770 -38.306 -19.263 1.00 43.29 ? 1071 MET B N 1 ATOM 3012 C CA . MET B 1 192 ? 66.722 -39.577 -18.532 1.00 42.91 ? 1071 MET B CA 1 ATOM 3013 C C . MET B 1 192 ? 67.851 -39.722 -17.554 1.00 42.27 ? 1071 MET B C 1 ATOM 3014 O O . MET B 1 192 ? 68.963 -39.307 -17.846 1.00 43.55 ? 1071 MET B O 1 ATOM 3015 C CB . MET B 1 192 ? 66.813 -40.775 -19.490 1.00 47.43 ? 1071 MET B CB 1 ATOM 3016 C CG . MET B 1 192 ? 65.856 -40.750 -20.671 1.00 54.09 ? 1071 MET B CG 1 ATOM 3017 S SD . MET B 1 192 ? 64.092 -40.826 -20.337 1.00 59.92 ? 1071 MET B SD 1 ATOM 3018 C CE . MET B 1 192 ? 64.021 -42.030 -19.062 1.00 55.52 ? 1071 MET B CE 1 ATOM 3019 N N . GLY B 1 193 ? 67.586 -40.410 -16.460 1.00 34.30 ? 1072 GLY B N 1 ATOM 3020 C CA . GLY B 1 193 ? 68.598 -40.681 -15.452 1.00 32.80 ? 1072 GLY B CA 1 ATOM 3021 C C . GLY B 1 193 ? 69.165 -42.079 -15.541 1.00 38.85 ? 1072 GLY B C 1 ATOM 3022 O O . GLY B 1 193 ? 68.850 -42.815 -16.479 1.00 40.27 ? 1072 GLY B O 1 ATOM 3023 N N . PRO B 1 194 ? 70.030 -42.480 -14.596 1.00 35.28 ? 1073 PRO B N 1 ATOM 3024 C CA . PRO B 1 194 ? 70.549 -43.853 -14.598 1.00 36.41 ? 1073 PRO B CA 1 ATOM 3025 C C . PRO B 1 194 ? 69.478 -44.919 -14.338 1.00 43.74 ? 1073 PRO B C 1 ATOM 3026 O O . PRO B 1 194 ? 68.417 -44.631 -13.785 1.00 45.49 ? 1073 PRO B O 1 ATOM 3027 C CB . PRO B 1 194 ? 71.571 -43.843 -13.467 1.00 38.18 ? 1073 PRO B CB 1 ATOM 3028 C CG . PRO B 1 194 ? 71.132 -42.803 -12.563 1.00 42.80 ? 1073 PRO B CG 1 ATOM 3029 C CD . PRO B 1 194 ? 70.510 -41.733 -13.428 1.00 37.33 ? 1073 PRO B CD 1 ATOM 3030 N N . MET B 1 195 ? 69.774 -46.150 -14.709 1.00 44.24 ? 1074 MET B N 1 ATOM 3031 C CA . MET B 1 195 ? 68.868 -47.279 -14.534 1.00 46.65 ? 1074 MET B CA 1 ATOM 3032 C C . MET B 1 195 ? 69.149 -48.035 -13.295 1.00 51.82 ? 1074 MET B C 1 ATOM 3033 O O . MET B 1 195 ? 70.308 -48.145 -12.877 1.00 54.28 ? 1074 MET B O 1 ATOM 3034 C CB . MET B 1 195 ? 69.017 -48.262 -15.680 1.00 52.26 ? 1074 MET B CB 1 ATOM 3035 C CG . MET B 1 195 ? 68.608 -47.698 -16.958 1.00 56.23 ? 1074 MET B CG 1 ATOM 3036 S SD . MET B 1 195 ? 68.270 -49.045 -18.041 1.00 64.19 ? 1074 MET B SD 1 ATOM 3037 C CE . MET B 1 195 ? 68.667 -48.266 -19.606 1.00 61.08 ? 1074 MET B CE 1 ATOM 3038 N N . SER B 1 196 ? 68.105 -48.650 -12.761 1.00 47.30 ? 1075 SER B N 1 ATOM 3039 C CA . SER B 1 196 ? 68.203 -49.519 -11.601 1.00 48.96 ? 1075 SER B CA 1 ATOM 3040 C C . SER B 1 196 ? 69.035 -50.769 -11.969 1.00 56.00 ? 1075 SER B C 1 ATOM 3041 O O . SER B 1 196 ? 69.220 -51.063 -13.161 1.00 56.34 ? 1075 SER B O 1 ATOM 3042 C CB . SER B 1 196 ? 66.802 -49.942 -11.165 1.00 52.96 ? 1075 SER B CB 1 ATOM 3043 O OG . SER B 1 196 ? 66.223 -50.777 -12.157 1.00 69.47 ? 1075 SER B OG 1 ATOM 3044 N N . GLU B 1 197 ? 69.558 -51.482 -10.948 1.00 55.65 ? 1076 GLU B N 1 ATOM 3045 C CA . GLU B 1 197 ? 70.204 -52.756 -11.214 1.00 60.83 ? 1076 GLU B CA 1 ATOM 3046 C C . GLU B 1 197 ? 69.040 -53.702 -11.502 1.00 69.01 ? 1076 GLU B C 1 ATOM 3047 O O . GLU B 1 197 ? 67.974 -53.584 -10.875 1.00 67.80 ? 1076 GLU B O 1 ATOM 3048 C CB . GLU B 1 197 ? 71.016 -53.265 -10.017 1.00 65.06 ? 1076 GLU B CB 1 ATOM 3049 C CG . GLU B 1 197 ? 72.418 -52.685 -9.956 1.00 80.13 ? 1076 GLU B CG 1 ATOM 3050 C CD . GLU B 1 197 ? 73.554 -53.572 -9.489 1.00 121.75 ? 1076 GLU B CD 1 ATOM 3051 O OE1 . GLU B 1 197 ? 73.298 -54.710 -9.028 1.00 126.10 ? 1076 GLU B OE1 1 ATOM 3052 O OE2 . GLU B 1 197 ? 74.717 -53.125 -9.612 1.00 125.66 ? 1076 GLU B OE2 1 ATOM 3053 N N . ALA B 1 198 ? 69.209 -54.575 -12.506 1.00 69.04 ? 1077 ALA B N 1 ATOM 3054 C CA . ALA B 1 198 ? 68.166 -55.497 -12.905 1.00 70.36 ? 1077 ALA B CA 1 ATOM 3055 C C . ALA B 1 198 ? 67.714 -56.362 -11.744 1.00 75.47 ? 1077 ALA B C 1 ATOM 3056 O O . ALA B 1 198 ? 68.532 -56.787 -10.917 1.00 77.39 ? 1077 ALA B O 1 ATOM 3057 C CB . ALA B 1 198 ? 68.627 -56.347 -14.067 1.00 74.68 ? 1077 ALA B CB 1 ATOM 3058 N N . VAL B 1 199 ? 66.389 -56.513 -11.635 1.00 70.29 ? 1078 VAL B N 1 ATOM 3059 C CA . VAL B 1 199 ? 65.683 -57.315 -10.643 1.00 72.01 ? 1078 VAL B CA 1 ATOM 3060 C C . VAL B 1 199 ? 65.129 -58.487 -11.426 1.00 81.49 ? 1078 VAL B C 1 ATOM 3061 O O . VAL B 1 199 ? 64.563 -58.302 -12.515 1.00 80.55 ? 1078 VAL B O 1 ATOM 3062 C CB . VAL B 1 199 ? 64.566 -56.493 -9.939 1.00 72.45 ? 1078 VAL B CB 1 ATOM 3063 C CG1 . VAL B 1 199 ? 63.446 -57.376 -9.401 1.00 74.83 ? 1078 VAL B CG1 1 ATOM 3064 C CG2 . VAL B 1 199 ? 65.136 -55.642 -8.820 1.00 70.37 ? 1078 VAL B CG2 1 ATOM 3065 N N . GLN B 1 200 ? 65.307 -59.693 -10.890 1.00 83.68 ? 1079 GLN B N 1 ATOM 3066 C CA . GLN B 1 200 ? 64.803 -60.880 -11.559 1.00 87.59 ? 1079 GLN B CA 1 ATOM 3067 C C . GLN B 1 200 ? 63.499 -61.403 -10.947 1.00 91.84 ? 1079 GLN B C 1 ATOM 3068 O O . GLN B 1 200 ? 63.310 -61.381 -9.720 1.00 90.19 ? 1079 GLN B O 1 ATOM 3069 C CB . GLN B 1 200 ? 65.915 -61.948 -11.746 1.00 93.84 ? 1079 GLN B CB 1 ATOM 3070 C CG . GLN B 1 200 ? 65.701 -63.294 -11.070 1.00 115.85 ? 1079 GLN B CG 1 ATOM 3071 C CD . GLN B 1 200 ? 66.446 -64.385 -11.786 1.00 136.31 ? 1079 GLN B CD 1 ATOM 3072 O OE1 . GLN B 1 200 ? 65.877 -65.107 -12.610 1.00 138.25 ? 1079 GLN B OE1 1 ATOM 3073 N NE2 . GLN B 1 200 ? 67.727 -64.541 -11.478 1.00 122.06 ? 1079 GLN B NE2 1 ATOM 3074 N N . PHE B 1 201 ? 62.597 -61.851 -11.823 1.00 90.36 ? 1080 PHE B N 1 ATOM 3075 C CA . PHE B 1 201 ? 61.339 -62.434 -11.404 1.00 92.78 ? 1080 PHE B CA 1 ATOM 3076 C C . PHE B 1 201 ? 61.012 -63.620 -12.298 1.00 103.20 ? 1080 PHE B C 1 ATOM 3077 O O . PHE B 1 201 ? 61.030 -63.487 -13.526 1.00 102.98 ? 1080 PHE B O 1 ATOM 3078 C CB . PHE B 1 201 ? 60.209 -61.387 -11.425 1.00 90.63 ? 1080 PHE B CB 1 ATOM 3079 C CG . PHE B 1 201 ? 58.873 -61.906 -10.935 1.00 94.22 ? 1080 PHE B CG 1 ATOM 3080 C CD1 . PHE B 1 201 ? 58.554 -61.887 -9.582 1.00 97.10 ? 1080 PHE B CD1 1 ATOM 3081 C CD2 . PHE B 1 201 ? 57.935 -62.414 -11.830 1.00 98.60 ? 1080 PHE B CD2 1 ATOM 3082 C CE1 . PHE B 1 201 ? 57.324 -62.377 -9.134 1.00 100.46 ? 1080 PHE B CE1 1 ATOM 3083 C CE2 . PHE B 1 201 ? 56.710 -62.909 -11.381 1.00 103.60 ? 1080 PHE B CE2 1 ATOM 3084 C CZ . PHE B 1 201 ? 56.405 -62.875 -10.040 1.00 101.72 ? 1080 PHE B CZ 1 ATOM 3085 N N . ARG B 1 202 ? 60.715 -64.779 -11.693 1.00 105.56 ? 1081 ARG B N 1 ATOM 3086 C CA . ARG B 1 202 ? 60.310 -65.931 -12.485 1.00 111.06 ? 1081 ARG B CA 1 ATOM 3087 C C . ARG B 1 202 ? 58.805 -66.044 -12.393 1.00 115.98 ? 1081 ARG B C 1 ATOM 3088 O O . ARG B 1 202 ? 58.242 -66.117 -11.289 1.00 115.55 ? 1081 ARG B O 1 ATOM 3089 C CB . ARG B 1 202 ? 60.983 -67.230 -12.036 1.00 118.18 ? 1081 ARG B CB 1 ATOM 3090 C CG . ARG B 1 202 ? 60.981 -68.290 -13.130 1.00 133.16 ? 1081 ARG B CG 1 ATOM 3091 C CD . ARG B 1 202 ? 61.057 -69.686 -12.563 1.00 147.29 ? 1081 ARG B CD 1 ATOM 3092 N NE . ARG B 1 202 ? 61.037 -70.689 -13.625 1.00 158.68 ? 1081 ARG B NE 1 ATOM 3093 C CZ . ARG B 1 202 ? 62.123 -71.221 -14.178 1.00 174.19 ? 1081 ARG B CZ 1 ATOM 3094 N NH1 . ARG B 1 202 ? 63.333 -70.853 -13.772 1.00 154.66 ? 1081 ARG B NH1 1 ATOM 3095 N NH2 . ARG B 1 202 ? 62.009 -72.124 -15.143 1.00 167.57 ? 1081 ARG B NH2 1 ATOM 3096 N N . THR B 1 203 ? 58.153 -66.030 -13.559 1.00 113.33 ? 1082 THR B N 1 ATOM 3097 C CA . THR B 1 203 ? 56.701 -66.159 -13.679 1.00 113.61 ? 1082 THR B CA 1 ATOM 3098 C C . THR B 1 203 ? 56.278 -67.558 -13.208 1.00 124.82 ? 1082 THR B C 1 ATOM 3099 O O . THR B 1 203 ? 57.049 -68.516 -13.364 1.00 129.80 ? 1082 THR B O 1 ATOM 3100 C CB . THR B 1 203 ? 56.262 -65.913 -15.119 1.00 116.99 ? 1082 THR B CB 1 ATOM 3101 O OG1 . THR B 1 203 ? 57.037 -66.747 -15.982 1.00 118.83 ? 1082 THR B OG1 1 ATOM 3102 C CG2 . THR B 1 203 ? 56.389 -64.450 -15.527 1.00 109.10 ? 1082 THR B CG2 1 ATOM 3103 N N . PRO B 1 204 ? 55.082 -67.704 -12.601 1.00 122.00 ? 1083 PRO B N 1 ATOM 3104 C CA . PRO B 1 204 ? 54.683 -69.028 -12.098 1.00 132.25 ? 1083 PRO B CA 1 ATOM 3105 C C . PRO B 1 204 ? 54.433 -70.080 -13.176 1.00 179.80 ? 1083 PRO B C 1 ATOM 3106 O O . PRO B 1 204 ? 54.432 -69.777 -14.363 1.00 144.18 ? 1083 PRO B O 1 ATOM 3107 C CB . PRO B 1 204 ? 53.430 -68.737 -11.268 1.00 132.20 ? 1083 PRO B CB 1 ATOM 3108 C CG . PRO B 1 204 ? 52.898 -67.485 -11.812 1.00 129.93 ? 1083 PRO B CG 1 ATOM 3109 C CD . PRO B 1 204 ? 54.061 -66.682 -12.297 1.00 120.60 ? 1083 PRO B CD 1 HETATM 3110 C C1 . NAG C 2 . ? 48.270 -14.598 -29.312 1.00 88.26 ? 2088 NAG A C1 1 HETATM 3111 C C2 . NAG C 2 . ? 46.966 -14.417 -28.540 1.00 88.43 ? 2088 NAG A C2 1 HETATM 3112 C C3 . NAG C 2 . ? 46.195 -15.735 -28.632 1.00 93.11 ? 2088 NAG A C3 1 HETATM 3113 C C4 . NAG C 2 . ? 45.918 -16.091 -30.095 1.00 95.25 ? 2088 NAG A C4 1 HETATM 3114 C C5 . NAG C 2 . ? 47.205 -16.041 -30.920 1.00 94.58 ? 2088 NAG A C5 1 HETATM 3115 C C6 . NAG C 2 . ? 46.988 -16.144 -32.417 1.00 91.60 ? 2088 NAG A C6 1 HETATM 3116 C C7 . NAG C 2 . ? 46.459 -12.991 -26.598 1.00 82.63 ? 2088 NAG A C7 1 HETATM 3117 C C8 . NAG C 2 . ? 46.681 -12.779 -25.135 1.00 82.34 ? 2088 NAG A C8 1 HETATM 3118 N N2 . NAG C 2 . ? 47.138 -14.011 -27.156 1.00 85.22 ? 2088 NAG A N2 1 HETATM 3119 O O3 . NAG C 2 . ? 44.967 -15.641 -27.907 1.00 94.09 ? 2088 NAG A O3 1 HETATM 3120 O O4 . NAG C 2 . ? 45.359 -17.400 -30.178 1.00 96.81 ? 2088 NAG A O4 1 HETATM 3121 O O5 . NAG C 2 . ? 47.903 -14.808 -30.676 1.00 93.38 ? 2088 NAG A O5 1 HETATM 3122 O O6 . NAG C 2 . ? 46.633 -14.896 -33.007 1.00 89.73 ? 2088 NAG A O6 1 HETATM 3123 O O7 . NAG C 2 . ? 45.696 -12.278 -27.249 1.00 80.16 ? 2088 NAG A O7 1 HETATM 3124 C C1 . NAG D 2 . ? 83.964 -9.125 1.807 1.00 130.97 ? 2084 NAG B C1 1 HETATM 3125 C C2 . NAG D 2 . ? 83.887 -10.396 2.647 1.00 132.51 ? 2084 NAG B C2 1 HETATM 3126 C C3 . NAG D 2 . ? 83.489 -9.831 4.011 1.00 131.50 ? 2084 NAG B C3 1 HETATM 3127 C C4 . NAG D 2 . ? 84.638 -9.003 4.589 1.00 131.21 ? 2084 NAG B C4 1 HETATM 3128 C C5 . NAG D 2 . ? 85.087 -7.927 3.594 1.00 131.52 ? 2084 NAG B C5 1 HETATM 3129 C C6 . NAG D 2 . ? 86.465 -7.375 3.888 1.00 130.04 ? 2084 NAG B C6 1 HETATM 3130 C C7 . NAG D 2 . ? 83.319 -12.483 1.466 1.00 136.60 ? 2084 NAG B C7 1 HETATM 3131 C C8 . NAG D 2 . ? 82.395 -13.661 1.514 1.00 136.33 ? 2084 NAG B C8 1 HETATM 3132 N N2 . NAG D 2 . ? 82.954 -11.421 2.209 1.00 135.27 ? 2084 NAG B N2 1 HETATM 3133 O O3 . NAG D 2 . ? 83.080 -10.854 4.915 1.00 130.61 ? 2084 NAG B O3 1 HETATM 3134 O O4 . NAG D 2 . ? 84.241 -8.397 5.815 1.00 130.23 ? 2084 NAG B O4 1 HETATM 3135 O O5 . NAG D 2 . ? 85.150 -8.464 2.260 1.00 132.10 ? 2084 NAG B O5 1 HETATM 3136 O O6 . NAG D 2 . ? 86.990 -6.649 2.776 1.00 128.52 ? 2084 NAG B O6 1 HETATM 3137 O O7 . NAG D 2 . ? 84.362 -12.501 0.816 1.00 136.88 ? 2084 NAG B O7 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 . THR A 4 ? 3.0330 1.0768 1.2366 -0.1920 -0.0998 -0.6549 883 THR A N 2 C CA . THR A 4 ? 2.9926 1.0391 1.2199 -0.1406 0.0032 -0.6496 883 THR A CA 3 C C . THR A 4 ? 2.8028 1.0019 1.1959 -0.1204 0.0296 -0.5873 883 THR A C 4 O O . THR A 4 ? 2.7162 0.9926 1.1139 -0.1258 0.0061 -0.5545 883 THR A O 5 C CB . THR A 4 ? 3.2711 1.2188 1.3130 -0.1134 0.0609 -0.6842 883 THR A CB 6 O OG1 . THR A 4 ? 3.2793 1.2647 1.2434 -0.1202 0.0374 -0.6622 883 THR A OG1 7 C CG2 . THR A 4 ? 3.4805 1.2627 1.3610 -0.1297 0.0418 -0.7514 883 THR A CG2 8 N N . PRO A 5 ? 2.6616 0.8998 1.1882 -0.0979 0.0733 -0.5701 884 PRO A N 9 C CA . PRO A 5 ? 2.4575 0.8360 1.1406 -0.0833 0.0876 -0.5121 884 PRO A CA 10 C C . PRO A 5 ? 2.4191 0.8657 1.1197 -0.0453 0.1521 -0.4831 884 PRO A C 11 O O . PRO A 5 ? 2.4523 0.8617 1.1246 -0.0095 0.2243 -0.4974 884 PRO A O 12 C CB . PRO A 5 ? 2.4201 0.8047 1.2284 -0.0789 0.0972 -0.5037 884 PRO A CB 13 C CG . PRO A 5 ? 2.6525 0.8980 1.3744 -0.0911 0.0899 -0.5576 884 PRO A CG 14 C CD . PRO A 5 ? 2.7565 0.9082 1.2983 -0.0880 0.1007 -0.6012 884 PRO A CD 15 N N . MET A 6 ? 2.2558 0.8092 1.0212 -0.0537 0.1256 -0.4395 885 MET A N 16 C CA . MET A 6 ? 2.1628 0.7994 0.9675 -0.0293 0.1680 -0.4030 885 MET A CA 17 C C . MET A 6 ? 2.0521 0.7749 1.0124 -0.0053 0.2022 -0.3682 885 MET A C 18 O O . MET A 6 ? 1.9709 0.7246 1.0270 -0.0156 0.1725 -0.3545 885 MET A O 19 C CB . MET A 6 ? 2.1357 0.8342 0.9343 -0.0520 0.1137 -0.3748 885 MET A CB 20 C CG . MET A 6 ? 2.3313 0.9555 0.9770 -0.0736 0.0729 -0.4005 885 MET A CG 21 S SD . MET A 6 ? 2.3363 1.0289 0.9617 -0.0822 0.0364 -0.3604 885 MET A SD 22 C CE . MET A 6 ? 2.2877 0.9927 0.8874 -0.0478 0.1284 -0.3442 885 MET A CE 23 N N . MET A 7 ? 1.9720 0.7323 0.9560 0.0250 0.2634 -0.3524 886 MET A N 24 C CA . MET A 7 ? 1.8503 0.6949 0.9758 0.0476 0.2898 -0.3181 886 MET A CA 25 C C . MET A 7 ? 1.7650 0.7085 0.9622 0.0312 0.2484 -0.2757 886 MET A C 26 O O . MET A 7 ? 1.7775 0.7341 0.9163 0.0167 0.2295 -0.2682 886 MET A O 27 C CB . MET A 7 ? 1.9125 0.7654 1.0540 0.0846 0.3678 -0.3174 886 MET A CB 28 C CG . MET A 7 ? 2.0324 0.8843 1.0863 0.0845 0.3996 -0.3162 886 MET A CG 29 S SD . MET A 7 ? 2.0895 0.9910 1.2080 0.1220 0.4910 -0.2998 886 MET A SD 30 C CE . MET A 7 ? 2.2238 1.0109 1.2417 0.1487 0.5558 -0.3500 886 MET A CE 31 N N . PRO A 8 ? 1.5901 0.5933 0.9024 0.0325 0.2303 -0.2488 887 PRO A N 32 C CA . PRO A 8 ? 1.4650 0.5478 0.8307 0.0174 0.1918 -0.2144 887 PRO A CA 33 C C . PRO A 8 ? 1.4063 0.5550 0.8082 0.0315 0.2184 -0.1871 887 PRO A C 34 O O . PRO A 8 ? 1.4288 0.5788 0.8484 0.0546 0.2682 -0.1887 887 PRO A O 35 C CB . PRO A 8 ? 1.4194 0.5280 0.8799 0.0155 0.1712 -0.1979 887 PRO A CB 36 C CG . PRO A 8 ? 1.5499 0.5883 1.0058 0.0278 0.1943 -0.2226 887 PRO A CG 37 C CD . PRO A 8 ? 1.5829 0.5771 0.9732 0.0489 0.2436 -0.2474 887 PRO A CD 38 N N . PRO A 9 ? 1.2396 0.4440 0.6616 0.0183 0.1869 -0.1614 888 PRO A N 39 C CA . PRO A 9 ? 1.1572 0.4188 0.6182 0.0280 0.2086 -0.1357 888 PRO A CA 40 C C . PRO A 9 ? 1.1141 0.4220 0.6794 0.0472 0.2281 -0.1181 888 PRO A C 41 O O . PRO A 9 ? 1.0753 0.3823 0.6899 0.0516 0.2147 -0.1161 888 PRO A O 42 C CB . PRO A 9 ? 1.1263 0.4238 0.5863 0.0109 0.1649 -0.1160 888 PRO A CB 43 C CG . PRO A 9 ? 1.2432 0.5001 0.6466 -0.0073 0.1249 -0.1338 888 PRO A CG 44 C CD . PRO A 9 ? 1.2276 0.4455 0.6453 -0.0048 0.1319 -0.1547 888 PRO A CD 45 N N . VAL A 10 ? 1.0433 0.3869 0.6404 0.0583 0.2613 -0.1048 889 VAL A N 46 C CA . VAL A 10 ? 0.9816 0.3746 0.6806 0.0769 0.2774 -0.0867 889 VAL A CA 47 C C . VAL A 10 ? 0.9776 0.4338 0.7233 0.0684 0.2621 -0.0583 889 VAL A C 48 O O . VAL A 10 ? 0.9887 0.4446 0.6855 0.0512 0.2472 -0.0537 889 VAL A O 49 C CB . VAL A 10 ? 1.0779 0.4569 0.7961 0.1012 0.3345 -0.0995 889 VAL A CB 50 C CG1 . VAL A 10 ? 1.1486 0.4512 0.8120 0.1103 0.3473 -0.1315 889 VAL A CG1 51 C CG2 . VAL A 10 ? 1.1203 0.5051 0.8023 0.0979 0.3753 -0.0993 889 VAL A CG2 52 N N . GLY A 11 ? 0.8784 0.3828 0.7150 0.0804 0.2609 -0.0396 890 GLY A N 53 C CA . GLY A 11 ? 0.8089 0.3670 0.6909 0.0708 0.2426 -0.0156 890 GLY A CA 54 C C . GLY A 11 ? 0.8275 0.3822 0.6635 0.0514 0.2034 -0.0092 890 GLY A C 55 O O . GLY A 11 ? 0.8311 0.3979 0.6505 0.0382 0.2015 -0.0007 890 GLY A O 56 N N . VAL A 12 ? 0.7795 0.3156 0.5975 0.0501 0.1752 -0.0125 891 VAL A N 57 C CA . VAL A 12 ? 0.7463 0.2835 0.5328 0.0364 0.1412 -0.0060 891 VAL A CA 58 C C . VAL A 12 ? 0.7620 0.3367 0.5922 0.0367 0.1213 0.0144 891 VAL A C 59 O O . VAL A 12 ? 0.7435 0.3344 0.6229 0.0475 0.1166 0.0236 891 VAL A O 60 C CB . VAL A 12 ? 0.7875 0.2993 0.5536 0.0331 0.1225 -0.0142 891 VAL A CB 61 C CG1 . VAL A 12 ? 0.7595 0.2793 0.5018 0.0215 0.0941 -0.0075 891 VAL A CG1 62 C CG2 . VAL A 12 ? 0.8409 0.3070 0.5622 0.0313 0.1375 -0.0382 891 VAL A CG2 63 N N . GLN A 13 ? 0.7009 0.2832 0.5085 0.0255 0.1086 0.0213 892 GLN A N 64 C CA . GLN A 13 ? 0.6666 0.2720 0.4995 0.0231 0.0874 0.0360 892 GLN A CA 65 C C . GLN A 13 ? 0.7198 0.3135 0.5117 0.0171 0.0664 0.0383 892 GLN A C 66 O O . GLN A 13 ? 0.7379 0.3138 0.4888 0.0119 0.0684 0.0327 892 GLN A O 67 C CB . GLN A 13 ? 0.6848 0.3125 0.5526 0.0162 0.0975 0.0433 892 GLN A CB 68 C CG . GLN A 13 ? 0.8404 0.4945 0.7747 0.0264 0.1161 0.0458 892 GLN A CG 69 C CD . GLN A 13 ? 0.8654 0.5526 0.8518 0.0162 0.1221 0.0562 892 GLN A CD 70 O OE1 . GLN A 13 ? 0.8505 0.5398 0.8392 0.0097 0.1552 0.0545 892 GLN A OE1 71 N NE2 . GLN A 13 ? 0.7322 0.4443 0.7614 0.0135 0.0905 0.0678 892 GLN A NE2 72 N N . ALA A 14 ? 0.6477 0.2488 0.4478 0.0196 0.0457 0.0471 893 ALA A N 73 C CA . ALA A 14 ? 0.6314 0.2201 0.3967 0.0188 0.0303 0.0488 893 ALA A CA 74 C C . ALA A 14 ? 0.7100 0.2959 0.4730 0.0112 0.0185 0.0532 893 ALA A C 75 O O . ALA A 14 ? 0.7187 0.3194 0.5139 0.0083 0.0104 0.0583 893 ALA A O 76 C CB . ALA A 14 ? 0.6204 0.2082 0.3823 0.0280 0.0220 0.0533 893 ALA A CB 77 N N . SER A 15 ? 0.6885 0.2536 0.4169 0.0076 0.0142 0.0519 894 SER A N 78 C CA . SER A 15 ? 0.7121 0.2611 0.4305 -0.0017 0.0012 0.0541 894 SER A CA 79 C C . SER A 15 ? 0.7926 0.3146 0.4696 0.0092 -0.0103 0.0510 894 SER A C 80 O O . SER A 15 ? 0.8277 0.3387 0.4835 0.0176 -0.0050 0.0499 894 SER A O 81 C CB . SER A 15 ? 0.7830 0.3200 0.4951 -0.0153 0.0122 0.0570 894 SER A CB 82 O OG . SER A 15 ? 0.9188 0.4387 0.6312 -0.0291 -0.0015 0.0597 894 SER A OG 83 N N . ILE A 16 ? 0.7142 0.2240 0.3782 0.0107 -0.0262 0.0493 895 ILE A N 84 C CA . ILE A 16 ? 0.7061 0.1850 0.3247 0.0247 -0.0294 0.0442 895 ILE A CA 85 C C . ILE A 16 ? 0.8055 0.2448 0.3960 0.0196 -0.0363 0.0397 895 ILE A C 86 O O . ILE A 16 ? 0.8230 0.2418 0.4077 0.0038 -0.0534 0.0367 895 ILE A O 87 C CB . ILE A 16 ? 0.7359 0.2047 0.3287 0.0324 -0.0390 0.0429 895 ILE A CB 88 C CG1 . ILE A 16 ? 0.6837 0.1859 0.3089 0.0331 -0.0375 0.0519 895 ILE A CG1 89 C CG2 . ILE A 16 ? 0.7432 0.1861 0.2914 0.0529 -0.0261 0.0382 895 ILE A CG2 90 C CD1 . ILE A 16 ? 0.6649 0.1934 0.3185 0.0399 -0.0159 0.0561 895 ILE A CD1 91 N N . LEU A 17 ? 0.7730 0.2007 0.3503 0.0325 -0.0261 0.0403 896 LEU A N 92 C CA . LEU A 17 ? 0.8230 0.2057 0.3717 0.0329 -0.0309 0.0389 896 LEU A CA 93 C C . LEU A 17 ? 0.9302 0.2704 0.4369 0.0523 -0.0323 0.0287 896 LEU A C 94 O O . LEU A 17 ? 1.0101 0.2993 0.4853 0.0453 -0.0436 0.0220 896 LEU A O 95 C CB . LEU A 17 ? 0.8220 0.2096 0.3763 0.0385 -0.0236 0.0478 896 LEU A CB 96 C CG . LEU A 17 ? 0.8651 0.2764 0.4398 0.0197 -0.0175 0.0556 896 LEU A CG 97 C CD1 . LEU A 17 ? 0.8979 0.3083 0.4606 0.0282 -0.0154 0.0630 896 LEU A CD1 98 C CD2 . LEU A 17 ? 0.8482 0.2389 0.4234 -0.0044 -0.0192 0.0595 896 LEU A CD2 99 N N . SER A 18 ? 0.8533 0.2104 0.3597 0.0762 -0.0178 0.0274 897 SER A N 100 C CA . SER A 18 ? 0.8897 0.2090 0.3562 0.1003 -0.0081 0.0174 897 SER A CA 101 C C . SER A 18 ? 0.9465 0.2942 0.4157 0.1157 0.0114 0.0183 897 SER A C 102 O O . SER A 18 ? 0.9288 0.3142 0.4216 0.1036 0.0104 0.0252 897 SER A O 103 C CB . SER A 18 ? 0.9258 0.2249 0.3947 0.1218 -0.0015 0.0196 897 SER A CB 104 O OG . SER A 18 ? 0.9806 0.3326 0.4987 0.1346 0.0084 0.0309 897 SER A OG 105 N N . HIS A 19 ? 0.9376 0.2632 0.3820 0.1434 0.0329 0.0122 898 HIS A N 106 C CA . HIS A 19 ? 0.9326 0.2809 0.3772 0.1594 0.0607 0.0156 898 HIS A CA 107 C C . HIS A 19 ? 0.9699 0.3840 0.4921 0.1660 0.0748 0.0301 898 HIS A C 108 O O . HIS A 19 ? 0.9805 0.4262 0.5230 0.1713 0.0977 0.0378 898 HIS A O 109 C CB . HIS A 19 ? 1.0248 0.3220 0.4132 0.1881 0.0854 0.0027 898 HIS A CB 110 C CG . HIS A 19 ? 1.0898 0.3754 0.5014 0.2127 0.0942 0.0003 898 HIS A CG 111 N ND1 . HIS A 19 ? 1.1438 0.3756 0.5282 0.2089 0.0716 -0.0085 898 HIS A ND1 112 C CD2 . HIS A 19 ? 1.1024 0.4269 0.5710 0.2400 0.1201 0.0090 898 HIS A CD2 113 C CE1 . HIS A 19 ? 1.1432 0.3769 0.5607 0.2373 0.0841 -0.0047 898 HIS A CE1 114 N NE2 . HIS A 19 ? 1.1179 0.4112 0.5917 0.2573 0.1114 0.0058 898 HIS A NE2 115 N N . ASP A 20 ? 0.9078 0.3391 0.4704 0.1638 0.0595 0.0349 899 ASP A N 116 C CA . ASP A 20 ? 0.8680 0.3581 0.5013 0.1671 0.0624 0.0470 899 ASP A CA 117 C C . ASP A 20 ? 0.8864 0.3983 0.5438 0.1435 0.0363 0.0523 899 ASP A C 118 O O . ASP A 20 ? 0.8574 0.4120 0.5652 0.1421 0.0317 0.0597 899 ASP A O 119 C CB . ASP A 20 ? 0.9232 0.4171 0.5853 0.1982 0.0726 0.0495 899 ASP A CB 120 C CG . ASP A 20 ? 1.1290 0.5810 0.7698 0.2059 0.0514 0.0480 899 ASP A CG 121 O OD1 . ASP A 20 ? 1.1722 0.5849 0.7681 0.1848 0.0329 0.0434 899 ASP A OD1 122 O OD2 . ASP A 20 ? 1.1725 0.6304 0.8456 0.2336 0.0544 0.0534 899 ASP A OD2 123 N N . THR A 21 ? 0.8365 0.3180 0.4581 0.1243 0.0203 0.0480 900 THR A N 124 C CA . THR A 21 ? 0.7908 0.2832 0.4225 0.1042 0.0038 0.0520 900 THR A CA 125 C C . THR A 21 ? 0.8220 0.3154 0.4458 0.0812 0.0016 0.0493 900 THR A C 126 O O . THR A 21 ? 0.8526 0.3206 0.4507 0.0755 -0.0007 0.0447 900 THR A O 127 C CB . THR A 21 ? 0.8870 0.3438 0.4951 0.1073 -0.0093 0.0551 900 THR A CB 128 O OG1 . THR A 21 ? 1.0096 0.4679 0.6339 0.1345 -0.0083 0.0591 900 THR A OG1 129 C CG2 . THR A 21 ? 0.8021 0.2631 0.4069 0.0893 -0.0215 0.0613 900 THR A CG2 130 N N . ILE A 22 ? 0.7259 0.2473 0.3738 0.0685 0.0002 0.0515 901 ILE A N 131 C CA . ILE A 22 ? 0.6776 0.2069 0.3321 0.0510 0.0020 0.0499 901 ILE A CA 132 C C . ILE A 22 ? 0.7623 0.2919 0.4138 0.0401 -0.0001 0.0500 901 ILE A C 133 O O . ILE A 22 ? 0.7800 0.3188 0.4356 0.0434 -0.0057 0.0502 901 ILE A O 134 C CB . ILE A 22 ? 0.6652 0.2185 0.3444 0.0512 0.0102 0.0507 901 ILE A CB 135 C CG1 . ILE A 22 ? 0.6647 0.2079 0.3276 0.0618 0.0147 0.0525 901 ILE A CG1 136 C CG2 . ILE A 22 ? 0.6432 0.2042 0.3372 0.0385 0.0121 0.0498 901 ILE A CG2 137 C CD1 . ILE A 22 ? 0.7525 0.3139 0.4333 0.0652 0.0274 0.0591 901 ILE A CD1 138 N N . ARG A 23 ? 0.7262 0.2449 0.3695 0.0263 0.0042 0.0504 902 ARG A N 139 C CA . ARG A 23 ? 0.7238 0.2367 0.3533 0.0159 0.0114 0.0505 902 ARG A CA 140 C C . ARG A 23 ? 0.7763 0.3092 0.4304 0.0102 0.0255 0.0444 902 ARG A C 141 O O . ARG A 23 ? 0.7607 0.3067 0.4438 0.0066 0.0325 0.0453 902 ARG A O 142 C CB . ARG A 23 ? 0.7182 0.2048 0.3256 0.0048 0.0156 0.0575 902 ARG A CB 143 C CG . ARG A 23 ? 0.7620 0.2319 0.3351 -0.0036 0.0269 0.0608 902 ARG A CG 144 C CD . ARG A 23 ? 0.6905 0.1366 0.2497 -0.0185 0.0389 0.0715 902 ARG A CD 145 N NE . ARG A 23 ? 1.0423 0.4675 0.5593 -0.0272 0.0577 0.0770 902 ARG A NE 146 C CZ . ARG A 23 ? 1.3342 0.7670 0.8638 -0.0407 0.0887 0.0791 902 ARG A CZ 147 N NH1 . ARG A 23 ? 1.1350 0.6029 0.7303 -0.0468 0.0981 0.0768 902 ARG A NH1 148 N NH2 . ARG A 23 ? 1.3000 0.7057 0.7766 -0.0470 0.1110 0.0845 902 ARG A NH2 149 N N . ILE A 24 ? 0.7494 0.2813 0.3921 0.0102 0.0267 0.0378 903 ILE A N 150 C CA . ILE A 24 ? 0.7211 0.2585 0.3774 0.0073 0.0415 0.0286 903 ILE A CA 151 C C . ILE A 24 ? 0.8139 0.3308 0.4355 0.0000 0.0602 0.0247 903 ILE A C 152 O O . ILE A 24 ? 0.8611 0.3543 0.4337 -0.0034 0.0537 0.0266 903 ILE A O 153 C CB . ILE A 24 ? 0.7330 0.2739 0.3957 0.0092 0.0305 0.0210 903 ILE A CB 154 C CG1 . ILE A 24 ? 0.6809 0.2423 0.3753 0.0163 0.0195 0.0286 903 ILE A CG1 155 C CG2 . ILE A 24 ? 0.7496 0.2833 0.4219 0.0069 0.0459 0.0091 903 ILE A CG2 156 C CD1 . ILE A 24 ? 0.7321 0.3041 0.4519 0.0212 0.0271 0.0353 903 ILE A CD1 157 N N . THR A 25 ? 0.7657 0.2908 0.4125 -0.0007 0.0850 0.0217 904 THR A N 158 C CA . THR A 25 ? 0.8012 0.3097 0.4213 -0.0056 0.1154 0.0183 904 THR A CA 159 C C . THR A 25 ? 0.8502 0.3621 0.4954 0.0021 0.1388 0.0055 904 THR A C 160 O O . THR A 25 ? 0.7984 0.3353 0.5018 0.0098 0.1353 0.0073 904 THR A O 161 C CB . THR A 25 ? 0.8342 0.3559 0.4792 -0.0139 0.1303 0.0327 904 THR A CB 162 O OG1 . THR A 25 ? 0.6945 0.2533 0.4130 -0.0111 0.1259 0.0376 904 THR A OG1 163 C CG2 . THR A 25 ? 0.8511 0.3539 0.4611 -0.0216 0.1115 0.0447 904 THR A CG2 164 N N . TRP A 26 ? 0.8695 0.3499 0.4646 0.0017 0.1636 -0.0070 905 TRP A N 165 C CA . TRP A 26 ? 0.8938 0.3634 0.5004 0.0121 0.1908 -0.0234 905 TRP A CA 166 C C . TRP A 26 ? 1.0119 0.4500 0.5645 0.0125 0.2356 -0.0324 905 TRP A C 167 O O . TRP A 26 ? 1.0363 0.4551 0.5302 0.0021 0.2412 -0.0248 905 TRP A O 168 C CB . TRP A 26 ? 0.8846 0.3270 0.4642 0.0124 0.1653 -0.0400 905 TRP A CB 169 C CG . TRP A 26 ? 0.9500 0.3525 0.4424 0.0015 0.1462 -0.0491 905 TRP A CG 170 C CD1 . TRP A 26 ? 1.0765 0.4273 0.4877 -0.0007 0.1622 -0.0681 905 TRP A CD1 171 C CD2 . TRP A 26 ? 0.9280 0.3372 0.4015 -0.0067 0.1075 -0.0377 905 TRP A CD2 172 N NE1 . TRP A 26 ? 1.1132 0.4382 0.4542 -0.0117 0.1283 -0.0683 905 TRP A NE1 173 C CE2 . TRP A 26 ? 1.0594 0.4232 0.4446 -0.0142 0.0950 -0.0486 905 TRP A CE2 174 C CE3 . TRP A 26 ? 0.8791 0.3247 0.3994 -0.0063 0.0818 -0.0203 905 TRP A CE3 175 C CZ2 . TRP A 26 ? 1.0584 0.4195 0.4140 -0.0201 0.0535 -0.0398 905 TRP A CZ2 176 C CZ3 . TRP A 26 ? 0.9074 0.3490 0.3996 -0.0101 0.0484 -0.0137 905 TRP A CZ3 177 C CH2 . TRP A 26 ? 0.9899 0.3933 0.4069 -0.0165 0.0326 -0.0219 905 TRP A CH2 178 N N . ALA A 27 ? 0.9948 0.4208 0.5608 0.0261 0.2696 -0.0484 906 ALA A N 179 C CA . ALA A 27 ? 1.0827 0.4732 0.5940 0.0313 0.3216 -0.0610 906 ALA A CA 180 C C . ALA A 27 ? 1.2149 0.5391 0.6443 0.0359 0.3216 -0.0920 906 ALA A C 181 O O . ALA A 27 ? 1.1885 0.5054 0.6338 0.0362 0.2866 -0.1019 906 ALA A O 182 C CB . ALA A 27 ? 1.0754 0.5065 0.6781 0.0473 0.3692 -0.0552 906 ALA A CB 183 N N . ASP A 28 ? 1.2651 0.5363 0.6023 0.0376 0.3614 -0.1072 907 ASP A N 184 C CA . ASP A 28 ? 1.3613 0.5551 0.6015 0.0412 0.3663 -0.1416 907 ASP A CA 185 C C . ASP A 28 ? 1.4839 0.6497 0.7052 0.0616 0.4427 -0.1572 907 ASP A C 186 O O . ASP A 28 ? 1.5406 0.6920 0.7050 0.0599 0.4863 -0.1506 907 ASP A O 187 C CB . ASP A 28 ? 1.4593 0.5990 0.5714 0.0218 0.3293 -0.1474 907 ASP A CB 188 C CG . ASP A 28 ? 1.7024 0.7638 0.7193 0.0180 0.3077 -0.1839 907 ASP A CG 189 O OD1 . ASP A 28 ? 1.7587 0.7847 0.7749 0.0331 0.3429 -0.2100 907 ASP A OD1 190 O OD2 . ASP A 28 ? 1.8153 0.8483 0.7601 0.0001 0.2539 -0.1866 907 ASP A OD2 191 N N . ASN A 29 ? 1.4466 0.6042 0.7202 0.0824 0.4623 -0.1758 908 ASN A N 192 C CA . ASN A 29 ? 1.5275 0.6619 0.8022 0.1090 0.5382 -0.1923 908 ASN A CA 193 C C . ASN A 29 ? 1.7677 0.7994 0.8835 0.1112 0.5723 -0.2276 908 ASN A C 194 O O . ASN A 29 ? 1.8553 0.8620 0.9597 0.1354 0.6451 -0.2425 908 ASN A O 195 C CB . ASN A 29 ? 1.4551 0.6131 0.8439 0.1351 0.5476 -0.1971 908 ASN A CB 196 C CG . ASN A 29 ? 1.5619 0.8211 1.1032 0.1388 0.5321 -0.1604 908 ASN A CG 197 O OD1 . ASN A 29 ? 1.3416 0.6583 0.9182 0.1252 0.5315 -0.1329 908 ASN A OD1 198 N ND2 . ASN A 29 ? 1.4851 0.7615 1.1147 0.1565 0.5167 -0.1589 908 ASN A ND2 199 N N . SER A 30 ? 1.7900 0.7627 0.7831 0.0871 0.5201 -0.2405 909 SER A N 200 C CA . SER A 30 ? 1.9650 0.8318 0.7843 0.0838 0.5371 -0.2735 909 SER A CA 201 C C . SER A 30 ? 2.0788 0.9369 0.8030 0.0694 0.5512 -0.2524 909 SER A C 202 O O . SER A 30 ? 2.2301 0.9981 0.7898 0.0627 0.5558 -0.2733 909 SER A O 203 C CB . SER A 30 ? 2.0641 0.8662 0.8097 0.0657 0.4655 -0.3023 909 SER A CB 204 O OG . SER A 30 ? 2.1072 0.9541 0.8797 0.0396 0.3881 -0.2785 909 SER A OG 205 N N . LEU A 31 ? 1.9172 0.8631 0.7421 0.0647 0.5593 -0.2105 910 LEU A N 206 C CA . LEU A 31 ? 1.9413 0.8917 0.7095 0.0506 0.5771 -0.1809 910 LEU A CA 207 C C . LEU A 31 ? 1.9617 0.9676 0.8193 0.0638 0.6617 -0.1596 910 LEU A C 208 O O . LEU A 31 ? 1.8469 0.9279 0.8594 0.0771 0.6721 -0.1520 910 LEU A O 209 C CB . LEU A 31 ? 1.8274 0.8327 0.6478 0.0289 0.5046 -0.1483 910 LEU A CB 210 C CG . LEU A 31 ? 1.9005 0.8669 0.6405 0.0118 0.4202 -0.1560 910 LEU A CG 211 C CD1 . LEU A 31 ? 1.7772 0.8093 0.5953 -0.0017 0.3670 -0.1208 910 LEU A CD1 212 C CD2 . LEU A 31 ? 2.1069 0.9768 0.6576 0.0034 0.4201 -0.1670 910 LEU A CD2 213 N N . PRO A 32 ? 2.0220 0.9978 0.7933 0.0584 0.7191 -0.1452 911 PRO A N 214 C CA . PRO A 32 ? 2.0097 1.0485 0.8853 0.0671 0.8017 -0.1217 911 PRO A CA 215 C C . PRO A 32 ? 1.9263 1.0749 0.9765 0.0544 0.7727 -0.0840 911 PRO A C 216 O O . PRO A 32 ? 1.8380 1.0020 0.8957 0.0355 0.6965 -0.0699 911 PRO A O 217 C CB . PRO A 32 ? 2.1772 1.1524 0.9068 0.0561 0.8563 -0.1092 911 PRO A CB 218 C CG . PRO A 32 ? 2.3526 1.2161 0.8856 0.0517 0.8139 -0.1381 911 PRO A CG 219 C CD . PRO A 32 ? 2.1817 1.0649 0.7593 0.0436 0.7121 -0.1472 911 PRO A CD 220 N N . LYS A 33 ? 1.8515 1.0765 1.0463 0.0658 0.8313 -0.0692 912 LYS A N 221 C CA . LYS A 33 ? 1.7099 1.0371 1.0731 0.0530 0.8014 -0.0367 912 LYS A CA 222 C C . LYS A 33 ? 1.7325 1.0630 1.0674 0.0198 0.7456 -0.0078 912 LYS A C 223 O O . LYS A 33 ? 1.6075 0.9878 1.0296 0.0116 0.6815 0.0026 912 LYS A O 224 C CB . LYS A 33 ? 1.7140 1.1222 1.2291 0.0642 0.8744 -0.0199 912 LYS A CB 225 C CG . LYS A 33 ? 1.9074 1.3013 1.3789 0.0560 0.9650 -0.0030 912 LYS A CG 226 C CD . LYS A 33 ? 1.9769 1.4613 1.6225 0.0718 1.0383 0.0104 912 LYS A CD 227 C CE . LYS A 33 ? 2.1752 1.6327 1.8111 0.1149 1.1060 -0.0227 912 LYS A CE 228 N NZ . LYS A 33 ? 2.1731 1.7366 2.0202 0.1384 1.1436 -0.0119 912 LYS A NZ 229 N N . HIS A 34 ? 1.8136 1.0778 1.0092 0.0039 0.7676 0.0027 913 HIS A N 230 C CA . HIS A 34 ? 1.8136 1.0584 0.9541 -0.0241 0.7224 0.0307 913 HIS A CA 231 C C . HIS A 34 ? 1.8410 1.0519 0.9159 -0.0268 0.6285 0.0192 913 HIS A C 232 O O . HIS A 34 ? 1.8048 1.0164 0.8728 -0.0445 0.5808 0.0422 913 HIS A O 233 C CB . HIS A 34 ? 1.9681 1.1462 0.9760 -0.0367 0.7808 0.0483 913 HIS A CB 234 C CG . HIS A 34 ? 2.1539 1.2345 0.9837 -0.0222 0.8032 0.0195 913 HIS A CG 235 N ND1 . HIS A 34 ? 2.1970 1.2165 0.9145 -0.0201 0.7292 -0.0021 913 HIS A ND1 236 C CD2 . HIS A 34 ? 2.3109 1.3433 1.0552 -0.0112 0.8906 0.0099 913 HIS A CD2 237 C CE1 . HIS A 34 ? 2.3424 1.2757 0.9069 -0.0096 0.7672 -0.0261 913 HIS A CE1 238 N NE2 . HIS A 34 ? 2.4254 1.3586 0.9920 -0.0025 0.8669 -0.0207 913 HIS A NE2 239 N N . GLN A 35 ? 1.8091 0.9883 0.8394 -0.0092 0.6055 -0.0161 914 GLN A N 240 C CA . GLN A 35 ? 1.7650 0.9229 0.7573 -0.0101 0.5224 -0.0310 914 GLN A CA 241 C C . GLN A 35 ? 1.9201 1.0093 0.7689 -0.0232 0.4773 -0.0244 914 GLN A C 242 O O . GLN A 35 ? 1.8768 0.9729 0.7327 -0.0276 0.4046 -0.0241 914 GLN A O 243 C CB . GLN A 35 ? 1.6169 0.8534 0.7539 -0.0117 0.4715 -0.0206 914 GLN A CB 244 C CG . GLN A 35 ? 1.5703 0.8678 0.8399 0.0044 0.5016 -0.0285 914 GLN A CG 245 C CD . GLN A 35 ? 1.6650 0.9476 0.9379 0.0204 0.4747 -0.0587 914 GLN A CD 246 O OE1 . GLN A 35 ? 1.4900 0.8142 0.8455 0.0221 0.4299 -0.0565 914 GLN A OE1 247 N NE2 . GLN A 35 ? 1.6698 0.8867 0.8486 0.0315 0.5032 -0.0877 914 GLN A NE2 248 N N . LYS A 36 ? 2.0152 1.0373 0.7329 -0.0276 0.5204 -0.0187 915 LYS A N 249 C CA . LYS A 36 ? 2.1153 1.0636 0.6827 -0.0380 0.4782 -0.0094 915 LYS A CA 250 C C . LYS A 36 ? 2.2618 1.1578 0.7393 -0.0326 0.4207 -0.0444 915 LYS A C 251 O O . LYS A 36 ? 2.3487 1.1983 0.7601 -0.0229 0.4537 -0.0776 915 LYS A O 252 C CB . LYS A 36 ? 2.2796 1.1614 0.7182 -0.0430 0.5475 0.0055 915 LYS A CB 253 C CG . LYS A 36 ? 2.1917 1.0474 0.5730 -0.0601 0.5291 0.0480 915 LYS A CG 254 C CD . LYS A 36 ? 2.2683 1.0575 0.5245 -0.0664 0.6078 0.0665 915 LYS A CD 255 C CE . LYS A 36 ? 2.3020 0.9796 0.3436 -0.0619 0.5975 0.0495 915 LYS A CE 256 N NZ . LYS A 36 ? 2.2731 0.8826 0.2493 -0.0618 0.6768 0.0545 915 LYS A NZ 257 N N . ILE A 37 ? 2.1976 1.1002 0.6771 -0.0392 0.3357 -0.0377 916 ILE A N 258 C CA . ILE A 37 ? 2.2626 1.1219 0.6678 -0.0399 0.2715 -0.0663 916 ILE A CA 259 C C . ILE A 37 ? 2.5175 1.2791 0.7298 -0.0460 0.2607 -0.0632 916 ILE A C 260 O O . ILE A 37 ? 2.5422 1.2908 0.7113 -0.0523 0.2263 -0.0306 916 ILE A O 261 C CB . ILE A 37 ? 2.1951 1.1075 0.6909 -0.0436 0.1863 -0.0598 916 ILE A CB 262 C CG1 . ILE A 37 ? 2.0300 1.0376 0.7049 -0.0391 0.1934 -0.0480 916 ILE A CG1 263 C CG2 . ILE A 37 ? 2.2545 1.1345 0.7050 -0.0476 0.1287 -0.0937 916 ILE A CG2 264 C CD1 . ILE A 37 ? 2.0217 1.0646 0.7461 -0.0426 0.1815 -0.0081 916 ILE A CD1 265 N N . THR A 38 ? 2.6195 1.3058 0.7097 -0.0427 0.2904 -0.0966 917 THR A N 266 C CA . THR A 38 ? 2.8200 1.3995 0.7027 -0.0483 0.2785 -0.0990 917 THR A CA 267 C C . THR A 38 ? 2.9577 1.4873 0.7619 -0.0550 0.1964 -0.1343 917 THR A C 268 O O . THR A 38 ? 3.0985 1.5494 0.7432 -0.0626 0.1511 -0.1323 917 THR A O 269 C CB . THR A 38 ? 3.0424 1.5574 0.8154 -0.0407 0.3802 -0.1090 917 THR A CB 270 O OG1 . THR A 38 ? 3.0190 1.5461 0.8526 -0.0278 0.4254 -0.1494 917 THR A OG1 271 C CG2 . THR A 38 ? 2.9920 1.5425 0.8132 -0.0415 0.4526 -0.0656 917 THR A CG2 272 N N . ASP A 39 ? 2.8272 1.4025 0.7465 -0.0541 0.1737 -0.1642 918 ASP A N 273 C CA . ASP A 39 ? 2.8819 1.4188 0.7579 -0.0647 0.1006 -0.2009 918 ASP A CA 274 C C . ASP A 39 ? 2.8518 1.4357 0.7887 -0.0773 -0.0033 -0.1818 918 ASP A C 275 O O . ASP A 39 ? 2.7835 1.4118 0.7637 -0.0748 -0.0211 -0.1402 918 ASP A O 276 C CB . ASP A 39 ? 2.8358 1.3977 0.8149 -0.0590 0.1285 -0.2371 918 ASP A CB 277 C CG . ASP A 39 ? 3.0386 1.5704 0.9951 -0.0405 0.2327 -0.2555 918 ASP A CG 278 O OD1 . ASP A 39 ? 3.2575 1.6907 1.0429 -0.0373 0.2697 -0.2755 918 ASP A OD1 279 O OD2 . ASP A 39 ? 2.9648 1.5694 1.0731 -0.0279 0.2762 -0.2509 918 ASP A OD2 280 N N . SER A 40 ? 2.8130 1.3844 0.7557 -0.0907 -0.0700 -0.2131 919 SER A N 281 C CA . SER A 40 ? 2.7366 1.3577 0.7540 -0.1037 -0.1682 -0.2015 919 SER A CA 282 C C . SER A 40 ? 2.5349 1.2606 0.7593 -0.1021 -0.1671 -0.1972 919 SER A C 283 O O . SER A 40 ? 2.4500 1.2352 0.7684 -0.1101 -0.2346 -0.1834 919 SER A O 284 C CB . SER A 40 ? 2.9426 1.4895 0.8532 -0.1243 -0.2397 -0.2393 919 SER A CB 285 O OG . SER A 40 ? 3.0705 1.6010 1.0184 -0.1309 -0.2184 -0.2823 919 SER A OG 286 N N . ARG A 41 ? 2.3838 1.1302 0.6768 -0.0906 -0.0898 -0.2079 920 ARG A N 287 C CA . ARG A 41 ? 2.1938 1.0251 0.6641 -0.0870 -0.0775 -0.2050 920 ARG A CA 288 C C . ARG A 41 ? 2.0553 0.9836 0.6604 -0.0827 -0.1024 -0.1654 920 ARG A C 289 O O . ARG A 41 ? 2.0326 0.9751 0.6231 -0.0738 -0.0903 -0.1342 920 ARG A O 290 C CB . ARG A 41 ? 2.1375 0.9678 0.6437 -0.0710 0.0094 -0.2184 920 ARG A CB 291 C CG . ARG A 41 ? 2.1477 1.0000 0.6593 -0.0546 0.0787 -0.1910 920 ARG A CG 292 C CD . ARG A 41 ? 2.0837 0.9549 0.6681 -0.0383 0.1535 -0.2021 920 ARG A CD 293 N NE . ARG A 41 ? 2.3531 1.1429 0.8177 -0.0291 0.2141 -0.2287 920 ARG A NE 294 C CZ . ARG A 41 ? 2.5809 1.3657 1.0850 -0.0115 0.2792 -0.2477 920 ARG A CZ 295 N NH1 . ARG A 41 ? 2.2594 1.1140 0.9162 -0.0025 0.2861 -0.2414 920 ARG A NH1 296 N NH2 . ARG A 41 ? 2.6431 1.3499 1.0310 -0.0004 0.3387 -0.2723 920 ARG A NH2 297 N N . TYR A 42 ? 1.8748 0.8632 0.6072 -0.0893 -0.1344 -0.1674 921 TYR A N 298 C CA . TYR A 42 ? 1.7070 0.7852 0.5721 -0.0837 -0.1535 -0.1355 921 TYR A CA 299 C C . TYR A 42 ? 1.5953 0.7286 0.5917 -0.0815 -0.1291 -0.1386 921 TYR A C 300 O O . TYR A 42 ? 1.6078 0.7238 0.6223 -0.0932 -0.1379 -0.1636 921 TYR A O 301 C CB . TYR A 42 ? 1.7348 0.8348 0.6120 -0.0932 -0.2338 -0.1226 921 TYR A CB 302 C CG . TYR A 42 ? 1.7613 0.8748 0.6938 -0.1138 -0.2854 -0.1428 921 TYR A CG 303 C CD1 . TYR A 42 ? 1.9152 0.9577 0.7478 -0.1338 -0.3249 -0.1738 921 TYR A CD1 304 C CD2 . TYR A 42 ? 1.6543 0.8483 0.7355 -0.1155 -0.2965 -0.1299 921 TYR A CD2 305 C CE1 . TYR A 42 ? 1.9272 0.9811 0.8174 -0.1582 -0.3770 -0.1919 921 TYR A CE1 306 C CE2 . TYR A 42 ? 1.6748 0.8840 0.8163 -0.1384 -0.3412 -0.1449 921 TYR A CE2 307 C CZ . TYR A 42 ? 1.8825 1.0231 0.9336 -0.1614 -0.3835 -0.1758 921 TYR A CZ 308 O OH . TYR A 42 ? 1.8748 1.0286 0.9911 -0.1893 -0.4312 -0.1907 921 TYR A OH 309 N N . TYR A 43 ? 1.4239 0.6170 0.5058 -0.0674 -0.1008 -0.1125 922 TYR A N 310 C CA . TYR A 43 ? 1.2866 0.5314 0.4846 -0.0628 -0.0786 -0.1092 922 TYR A CA 311 C C . TYR A 43 ? 1.2400 0.5434 0.5291 -0.0675 -0.1206 -0.0937 922 TYR A C 312 O O . TYR A 43 ? 1.2326 0.5571 0.5213 -0.0643 -0.1523 -0.0751 922 TYR A O 313 C CB . TYR A 43 ? 1.2216 0.4953 0.4570 -0.0463 -0.0276 -0.0908 922 TYR A CB 314 C CG . TYR A 43 ? 1.3159 0.5429 0.4767 -0.0403 0.0221 -0.1014 922 TYR A CG 315 C CD1 . TYR A 43 ? 1.3681 0.5666 0.5255 -0.0365 0.0574 -0.1252 922 TYR A CD1 316 C CD2 . TYR A 43 ? 1.3749 0.5822 0.4678 -0.0376 0.0368 -0.0867 922 TYR A CD2 317 C CE1 . TYR A 43 ? 1.4481 0.6067 0.5430 -0.0277 0.1103 -0.1352 922 TYR A CE1 318 C CE2 . TYR A 43 ? 1.4539 0.6207 0.4810 -0.0330 0.0903 -0.0943 922 TYR A CE2 319 C CZ . TYR A 43 ? 1.5582 0.7035 0.5886 -0.0269 0.1285 -0.1194 922 TYR A CZ 320 O OH . TYR A 43 ? 1.6338 0.7434 0.6075 -0.0188 0.1888 -0.1269 922 TYR A OH 321 N N . THR A 44 ? 1.1351 0.4630 0.5039 -0.0736 -0.1179 -0.0996 923 THR A N 322 C CA . THR A 44 ? 1.0609 0.4495 0.5295 -0.0778 -0.1438 -0.0835 923 THR A CA 323 C C . THR A 44 ? 1.0515 0.4757 0.5913 -0.0647 -0.1023 -0.0696 923 THR A C 324 O O . THR A 44 ? 1.0740 0.4742 0.6119 -0.0631 -0.0708 -0.0808 923 THR A O 325 C CB . THR A 44 ? 1.1367 0.5170 0.6298 -0.1022 -0.1818 -0.1000 923 THR A CB 326 O OG1 . THR A 44 ? 1.2791 0.6168 0.6879 -0.1146 -0.2257 -0.1150 923 THR A OG1 327 C CG2 . THR A 44 ? 0.9362 0.3865 0.5437 -0.1077 -0.2022 -0.0801 923 THR A CG2 328 N N . VAL A 45 ? 0.9208 0.3965 0.5158 -0.0529 -0.1026 -0.0454 924 VAL A N 329 C CA . VAL A 45 ? 0.8356 0.3421 0.4866 -0.0405 -0.0702 -0.0309 924 VAL A CA 330 C C . VAL A 45 ? 0.8491 0.3989 0.5805 -0.0456 -0.0813 -0.0196 924 VAL A C 331 O O . VAL A 45 ? 0.8201 0.3995 0.5795 -0.0468 -0.1086 -0.0114 924 VAL A O 332 C CB . VAL A 45 ? 0.8424 0.3617 0.4804 -0.0232 -0.0560 -0.0148 924 VAL A CB 333 C CG1 . VAL A 45 ? 0.7719 0.3159 0.4571 -0.0127 -0.0296 -0.0027 924 VAL A CG1 334 C CG2 . VAL A 45 ? 0.8849 0.3647 0.4490 -0.0216 -0.0412 -0.0218 924 VAL A CG2 335 N N . ARG A 46 ? 0.8066 0.3604 0.5776 -0.0471 -0.0583 -0.0166 925 ARG A N 336 C CA . ARG A 46 ? 0.7639 0.3560 0.6085 -0.0520 -0.0572 -0.0017 925 ARG A CA 337 C C . ARG A 46 ? 0.7494 0.3562 0.6085 -0.0344 -0.0256 0.0155 925 ARG A C 338 O O . ARG A 46 ? 0.7307 0.3152 0.5565 -0.0246 -0.0085 0.0131 925 ARG A O 339 C CB . ARG A 46 ? 0.7449 0.3184 0.6176 -0.0748 -0.0619 -0.0109 925 ARG A CB 340 C CG . ARG A 46 ? 0.7362 0.2707 0.5918 -0.0710 -0.0337 -0.0152 925 ARG A CG 341 C CD . ARG A 46 ? 0.8341 0.3372 0.7108 -0.0936 -0.0395 -0.0255 925 ARG A CD 342 N NE . ARG A 46 ? 0.9208 0.3833 0.7830 -0.0840 -0.0120 -0.0271 925 ARG A NE 343 C CZ . ARG A 46 ? 0.9948 0.4148 0.8693 -0.0978 -0.0084 -0.0344 925 ARG A CZ 344 N NH1 . ARG A 46 ? 0.7612 0.1727 0.6627 -0.1273 -0.0321 -0.0426 925 ARG A NH1 345 N NH2 . ARG A 46 ? 0.8912 0.2751 0.7551 -0.0825 0.0161 -0.0331 925 ARG A NH2 346 N N . TRP A 47 ? 0.6823 0.3268 0.5906 -0.0300 -0.0183 0.0328 926 TRP A N 347 C CA . TRP A 47 ? 0.6621 0.3138 0.5714 -0.0140 0.0089 0.0484 926 TRP A CA 348 C C . TRP A 47 ? 0.7293 0.4123 0.6940 -0.0164 0.0246 0.0657 926 TRP A C 349 O O . TRP A 47 ? 0.7315 0.4483 0.7472 -0.0243 0.0135 0.0685 926 TRP A O 350 C CB . TRP A 47 ? 0.6419 0.2953 0.5156 0.0054 0.0091 0.0499 926 TRP A CB 351 C CG . TRP A 47 ? 0.6653 0.3463 0.5586 0.0135 -0.0045 0.0537 926 TRP A CG 352 C CD1 . TRP A 47 ? 0.6998 0.4079 0.6233 0.0284 0.0094 0.0662 926 TRP A CD1 353 C CD2 . TRP A 47 ? 0.6923 0.3723 0.5728 0.0109 -0.0338 0.0461 926 TRP A CD2 354 N NE1 . TRP A 47 ? 0.7098 0.4392 0.6535 0.0370 -0.0102 0.0673 926 TRP A NE1 355 C CE2 . TRP A 47 ? 0.7400 0.4517 0.6552 0.0258 -0.0404 0.0565 926 TRP A CE2 356 C CE3 . TRP A 47 ? 0.7400 0.3915 0.5782 -0.0012 -0.0545 0.0319 926 TRP A CE3 357 C CZ2 . TRP A 47 ? 0.7434 0.4604 0.6557 0.0295 -0.0726 0.0560 926 TRP A CZ2 358 C CZ3 . TRP A 47 ? 0.7836 0.4352 0.6049 0.0004 -0.0848 0.0309 926 TRP A CZ3 359 C CH2 . TRP A 47 ? 0.7796 0.4646 0.6401 0.0155 -0.0968 0.0441 926 TRP A CH2 360 N N . LYS A 48 ? 0.7045 0.3766 0.6606 -0.0099 0.0506 0.0790 927 LYS A N 361 C CA . LYS A 48 ? 0.7225 0.4159 0.7163 -0.0102 0.0764 0.0990 927 LYS A CA 362 C C . LYS A 48 ? 0.8306 0.5021 0.7736 0.0082 0.0991 0.1107 927 LYS A C 363 O O . LYS A 48 ? 0.8067 0.4495 0.7027 0.0153 0.0897 0.1041 927 LYS A O 364 C CB . LYS A 48 ? 0.7646 0.4533 0.8045 -0.0360 0.0804 0.1053 927 LYS A CB 365 C CG . LYS A 48 ? 0.8006 0.4407 0.8093 -0.0401 0.0885 0.1091 927 LYS A CG 366 C CD . LYS A 48 ? 0.8858 0.5175 0.9452 -0.0670 0.0951 0.1182 927 LYS A CD 367 C CE . LYS A 48 ? 0.8638 0.4423 0.8988 -0.0691 0.1066 0.1282 927 LYS A CE 368 N NZ . LYS A 48 ? 0.7431 0.2991 0.8230 -0.0995 0.1023 0.1270 927 LYS A NZ 369 N N . THR A 49 ? 0.8619 0.5474 0.8135 0.0163 0.1282 0.1278 928 THR A N 370 C CA . THR A 49 ? 0.9047 0.5606 0.7941 0.0323 0.1475 0.1389 928 THR A CA 371 C C . THR A 49 ? 0.9881 0.6129 0.8686 0.0204 0.1528 0.1529 928 THR A C 372 O O . THR A 49 ? 0.9741 0.6074 0.9050 0.0016 0.1627 0.1624 928 THR A O 373 C CB . THR A 49 ? 1.0714 0.7443 0.9602 0.0475 0.1826 0.1507 928 THR A CB 374 O OG1 . THR A 49 ? 1.2170 0.8505 1.0311 0.0601 0.2017 0.1621 928 THR A OG1 375 C CG2 . THR A 49 ? 1.0540 0.7677 1.0231 0.0344 0.2080 0.1656 928 THR A CG2 376 N N . ASN A 50 ? 0.9812 0.5698 0.8043 0.0302 0.1414 0.1540 929 ASN A N 377 C CA . ASN A 50 ? 1.0125 0.5652 0.8198 0.0263 0.1405 0.1691 929 ASN A CA 378 C C . ASN A 50 ? 1.1631 0.7041 0.9736 0.0190 0.1735 0.1970 929 ASN A C 379 O O . ASN A 50 ? 1.1852 0.7091 1.0264 0.0036 0.1769 0.2076 929 ASN A O 380 C CB . ASN A 50 ? 0.9916 0.5186 0.7389 0.0430 0.1219 0.1695 929 ASN A CB 381 C CG . ASN A 50 ? 1.3258 0.8179 1.0601 0.0451 0.1127 0.1856 929 ASN A CG 382 O OD1 . ASN A 50 ? 1.3571 0.8205 1.0389 0.0544 0.1155 0.2065 929 ASN A OD1 383 N ND2 . ASN A 50 ? 1.1942 0.6831 0.9697 0.0393 0.1004 0.1761 929 ASN A ND2 384 N N . ILE A 51 ? 1.1790 0.7255 0.9579 0.0295 0.2015 0.2085 930 ILE A N 385 C CA . ILE A 51 ? 1.2453 0.7843 1.0249 0.0230 0.2436 0.2371 930 ILE A CA 386 C C . ILE A 51 ? 1.3421 0.9326 1.1784 0.0210 0.2758 0.2362 930 ILE A C 387 O O . ILE A 51 ? 1.3099 0.9218 1.1366 0.0382 0.2721 0.2183 930 ILE A O 388 C CB . ILE A 51 ? 1.3580 0.8436 1.0400 0.0372 0.2576 0.2609 930 ILE A CB 389 C CG1 . ILE A 51 ? 1.3788 0.8505 0.9802 0.0609 0.2449 0.2459 930 ILE A CG1 390 C CG2 . ILE A 51 ? 1.3779 0.8191 1.0423 0.0324 0.2349 0.2760 930 ILE A CG2 391 C CD1 . ILE A 51 ? 1.4890 0.9636 1.0524 0.0743 0.2890 0.2495 930 ILE A CD1 392 N N . PRO A 52 ? 1.3591 0.9739 1.2693 -0.0009 0.3036 0.2540 931 PRO A N 393 C CA . PRO A 52 ? 1.4065 0.9940 1.3419 -0.0261 0.3109 0.2760 931 PRO A CA 394 C C . PRO A 52 ? 1.4659 1.0442 1.4384 -0.0425 0.2659 0.2559 931 PRO A C 395 O O . PRO A 52 ? 1.4260 1.0318 1.4186 -0.0385 0.2352 0.2274 931 PRO A O 396 C CB . PRO A 52 ? 1.4363 1.0726 1.4637 -0.0466 0.3508 0.2929 931 PRO A CB 397 C CG . PRO A 52 ? 1.4810 1.1596 1.5076 -0.0227 0.3776 0.2876 931 PRO A CG 398 C CD . PRO A 52 ? 1.3725 1.0485 1.3581 -0.0019 0.3325 0.2550 931 PRO A CD 399 N N . ALA A 53 ? 1.4668 1.0005 1.4433 -0.0595 0.2637 0.2704 932 ALA A N 400 C CA . ALA A 53 ? 1.4454 0.9606 1.4513 -0.0730 0.2263 0.2481 932 ALA A CA 401 C C . ALA A 53 ? 1.4789 1.0403 1.5727 -0.0993 0.2133 0.2287 932 ALA A C 402 O O . ALA A 53 ? 1.4409 1.0120 1.5397 -0.0981 0.1787 0.1979 932 ALA A O 403 C CB . ALA A 53 ? 1.5111 0.9623 1.5055 -0.0837 0.2305 0.2685 932 ALA A CB 404 N N . ASN A 54 ? 1.4561 1.0485 1.6179 -0.1227 0.2414 0.2486 933 ASN A N 405 C CA . ASN A 54 ? 1.4254 1.0698 1.6852 -0.1511 0.2269 0.2364 933 ASN A CA 406 C C . ASN A 54 ? 1.3970 1.1163 1.6926 -0.1352 0.2325 0.2312 933 ASN A C 407 O O . ASN A 54 ? 1.4129 1.1783 1.7646 -0.1386 0.2707 0.2535 933 ASN A O 408 C CB . ASN A 54 ? 1.5053 1.1448 1.8388 -0.1903 0.2498 0.2614 933 ASN A CB 409 C CG . ASN A 54 ? 1.8344 1.5196 2.2757 -0.2277 0.2227 0.2473 933 ASN A CG 410 O OD1 . ASN A 54 ? 1.7503 1.4687 2.2087 -0.2248 0.1814 0.2177 933 ASN A OD1 411 N ND2 . ASN A 54 ? 1.7480 1.4325 2.2638 -0.2662 0.2426 0.2701 933 ASN A ND2 412 N N . THR A 55 ? 1.2556 0.9821 1.5161 -0.1153 0.1975 0.2028 934 THR A N 413 C CA . THR A 55 ? 1.1902 0.9724 1.4715 -0.0961 0.1880 0.1910 934 THR A CA 414 C C . THR A 55 ? 1.1790 0.9671 1.4849 -0.1123 0.1339 0.1626 934 THR A C 415 O O . THR A 55 ? 1.1994 0.9355 1.4675 -0.1245 0.1115 0.1478 934 THR A O 416 C CB . THR A 55 ? 1.2239 0.9837 1.4113 -0.0583 0.1918 0.1837 934 THR A CB 417 O OG1 . THR A 55 ? 1.3018 1.0180 1.4236 -0.0476 0.2235 0.2029 934 THR A OG1 418 C CG2 . THR A 55 ? 1.1385 0.9464 1.3448 -0.0345 0.2019 0.1818 934 THR A CG2 419 N N . LYS A 56 ? 1.0522 0.8982 1.4160 -0.1105 0.1125 0.1550 935 LYS A N 420 C CA . LYS A 56 ? 1.0100 0.8546 1.3809 -0.1256 0.0570 0.1291 935 LYS A CA 421 C C . LYS A 56 ? 0.9793 0.7945 1.2604 -0.0991 0.0353 0.1086 935 LYS A C 422 O O . LYS A 56 ? 0.9630 0.7920 1.2165 -0.0688 0.0512 0.1137 935 LYS A O 423 C CB . LYS A 56 ? 1.0145 0.9322 1.4908 -0.1385 0.0320 0.1320 935 LYS A CB 424 C CG . LYS A 56 ? 1.0830 1.0479 1.6752 -0.1687 0.0505 0.1536 935 LYS A CG 425 C CD . LYS A 56 ? 1.1708 1.1175 1.8063 -0.2167 0.0089 0.1411 935 LYS A CD 426 C CE . LYS A 56 ? 1.1110 0.9980 1.7242 -0.2386 0.0397 0.1505 935 LYS A CE 427 N NZ . LYS A 56 ? 1.0272 0.8812 1.6724 -0.2851 0.0002 0.1348 935 LYS A NZ 428 N N . TYR A 57 ? 0.8906 0.6617 1.1259 -0.1118 0.0011 0.0849 936 TYR A N 429 C CA . TYR A 57 ? 0.8594 0.6013 1.0139 -0.0926 -0.0176 0.0662 936 TYR A CA 430 C C . TYR A 57 ? 0.8739 0.6549 1.0476 -0.0852 -0.0498 0.0620 936 TYR A C 431 O O . TYR A 57 ? 0.9069 0.7144 1.1363 -0.1065 -0.0829 0.0583 936 TYR A O 432 C CB . TYR A 57 ? 0.8967 0.5785 0.9983 -0.1088 -0.0388 0.0418 936 TYR A CB 433 C CG . TYR A 57 ? 0.9061 0.5375 0.9662 -0.1033 -0.0111 0.0424 936 TYR A CG 434 C CD1 . TYR A 57 ? 0.9119 0.5260 0.9139 -0.0769 0.0049 0.0425 936 TYR A CD1 435 C CD2 . TYR A 57 ? 0.9387 0.5374 1.0215 -0.1252 -0.0046 0.0433 936 TYR A CD2 436 C CE1 . TYR A 57 ? 0.9512 0.5248 0.9255 -0.0696 0.0245 0.0450 936 TYR A CE1 437 C CE2 . TYR A 57 ? 0.9596 0.5092 1.0073 -0.1159 0.0178 0.0463 936 TYR A CE2 438 C CZ . TYR A 57 ? 1.0304 0.5713 1.0268 -0.0867 0.0310 0.0475 936 TYR A CZ 439 O OH . TYR A 57 ? 0.9869 0.4863 0.9598 -0.0753 0.0480 0.0527 936 TYR A OH 440 N N . LYS A 58 ? 0.7560 0.5378 0.8854 -0.0563 -0.0441 0.0634 937 LYS A N 441 C CA . LYS A 58 ? 0.7373 0.5420 0.8692 -0.0446 -0.0760 0.0609 937 LYS A CA 442 C C . LYS A 58 ? 0.8198 0.5687 0.8620 -0.0493 -0.0997 0.0401 937 LYS A C 443 O O . LYS A 58 ? 0.8186 0.5254 0.8102 -0.0505 -0.0788 0.0322 937 LYS A O 444 C CB . LYS A 58 ? 0.7274 0.5489 0.8518 -0.0106 -0.0523 0.0735 937 LYS A CB 445 C CG . LYS A 58 ? 0.8042 0.6768 1.0077 -0.0003 -0.0194 0.0930 937 LYS A CG 446 C CD . LYS A 58 ? 0.9282 0.7956 1.0994 0.0346 0.0094 0.0994 937 LYS A CD 447 C CE . LYS A 58 ? 0.9438 0.8546 1.1804 0.0499 0.0504 0.1168 937 LYS A CE 448 N NZ . LYS A 58 ? 1.0145 0.9031 1.2002 0.0843 0.0787 0.1175 937 LYS A NZ 449 N N . ASN A 59 ? 0.8008 0.5475 0.8227 -0.0517 -0.1419 0.0324 938 ASN A N 450 C CA . ASN A 59 ? 0.8378 0.5260 0.7627 -0.0554 -0.1569 0.0139 938 ASN A CA 451 C C . ASN A 59 ? 0.9200 0.6004 0.7990 -0.0439 -0.1901 0.0154 938 ASN A C 452 O O . ASN A 59 ? 0.9263 0.6501 0.8584 -0.0328 -0.2113 0.0301 938 ASN A O 453 C CB . ASN A 59 ? 0.8905 0.5382 0.7907 -0.0832 -0.1696 -0.0076 938 ASN A CB 454 C CG . ASN A 59 ? 1.1097 0.7803 1.0667 -0.1091 -0.2122 -0.0117 938 ASN A CG 455 O OD1 . ASN A 59 ? 0.9775 0.6614 0.9315 -0.1110 -0.2581 -0.0118 938 ASN A OD1 456 N ND2 . ASN A 59 ? 0.9572 0.6292 0.9667 -0.1309 -0.2006 -0.0139 938 ASN A ND2 457 N N . ALA A 60 ? 0.8846 0.5084 0.6655 -0.0438 -0.1901 0.0028 939 ALA A N 458 C CA . ALA A 60 ? 0.9141 0.5143 0.6291 -0.0335 -0.2151 0.0068 939 ALA A CA 459 C C . ALA A 60 ? 1.0380 0.5714 0.6460 -0.0445 -0.2148 -0.0120 939 ALA A C 460 O O . ALA A 60 ? 1.0340 0.5418 0.6219 -0.0509 -0.1816 -0.0260 939 ALA A O 461 C CB . ALA A 60 ? 0.8790 0.4858 0.5908 -0.0079 -0.1886 0.0240 939 ALA A CB 462 N N . ASN A 61 ? 1.0684 0.5711 0.6051 -0.0440 -0.2497 -0.0108 940 ASN A N 463 C CA . ASN A 61 ? 1.1464 0.5785 0.5635 -0.0523 -0.2473 -0.0270 940 ASN A CA 464 C C . ASN A 61 ? 1.1886 0.5902 0.5359 -0.0363 -0.2226 -0.0119 940 ASN A C 465 O O . ASN A 61 ? 1.1444 0.5644 0.5090 -0.0211 -0.2389 0.0109 940 ASN A O 466 C CB . ASN A 61 ? 1.2405 0.6466 0.6077 -0.0678 -0.3078 -0.0371 940 ASN A CB 467 C CG . ASN A 61 ? 1.6444 1.0594 1.0575 -0.0922 -0.3324 -0.0580 940 ASN A CG 468 O OD1 . ASN A 61 ? 1.5490 0.9358 0.9501 -0.1026 -0.3003 -0.0791 940 ASN A OD1 469 N ND2 . ASN A 61 ? 1.7075 1.1612 1.1788 -0.1017 -0.3917 -0.0514 940 ASN A ND2 470 N N . ALA A 62 ? 1.1848 0.5382 0.4576 -0.0398 -0.1814 -0.0242 941 ALA A N 471 C CA . ALA A 62 ? 1.2078 0.5289 0.4152 -0.0309 -0.1498 -0.0104 941 ALA A CA 472 C C . ALA A 62 ? 1.4070 0.6586 0.4945 -0.0397 -0.1310 -0.0261 941 ALA A C 473 O O . ALA A 62 ? 1.4233 0.6544 0.4948 -0.0483 -0.1149 -0.0522 941 ALA A O 474 C CB . ALA A 62 ? 1.1196 0.4711 0.3902 -0.0229 -0.1010 -0.0030 941 ALA A CB 475 N N . THR A 63 ? 1.4609 0.6698 0.4592 -0.0363 -0.1298 -0.0094 942 THR A N 476 C CA . THR A 63 ? 1.5830 0.7183 0.4495 -0.0427 -0.1047 -0.0189 942 THR A CA 477 C C . THR A 63 ? 1.5826 0.7171 0.4550 -0.0388 -0.0339 -0.0092 942 THR A C 478 O O . THR A 63 ? 1.6724 0.7536 0.4495 -0.0420 0.0050 -0.0117 942 THR A O 479 C CB . THR A 63 ? 1.8584 0.9416 0.6139 -0.0432 -0.1513 -0.0028 942 THR A CB 480 O OG1 . THR A 63 ? 1.9071 0.9892 0.6599 -0.0336 -0.1393 0.0316 942 THR A OG1 481 C CG2 . THR A 63 ? 1.8336 0.9375 0.6164 -0.0457 -0.2311 -0.0053 942 THR A CG2 482 N N . THR A 64 ? 1.4023 0.5966 0.3885 -0.0328 -0.0181 0.0023 943 THR A N 483 C CA . THR A 64 ? 1.3497 0.5616 0.3772 -0.0316 0.0379 0.0127 943 THR A CA 484 C C . THR A 64 ? 1.3060 0.5665 0.4339 -0.0287 0.0635 -0.0034 943 THR A C 485 O O . THR A 64 ? 1.2708 0.5565 0.4484 -0.0272 0.0356 -0.0165 943 THR A O 486 C CB . THR A 64 ? 1.3426 0.5662 0.3958 -0.0284 0.0278 0.0430 943 THR A CB 487 O OG1 . THR A 64 ? 1.4064 0.6449 0.4999 -0.0329 0.0779 0.0522 943 THR A OG1 488 C CG2 . THR A 64 ? 1.1263 0.3967 0.2639 -0.0188 -0.0167 0.0481 943 THR A CG2 489 N N . LEU A 65 ? 1.2050 0.4782 0.3645 -0.0286 0.1159 0.0001 944 LEU A N 490 C CA . LEU A 65 ? 1.1034 0.4201 0.3559 -0.0233 0.1408 -0.0100 944 LEU A CA 491 C C . LEU A 65 ? 1.0057 0.3757 0.3542 -0.0212 0.1269 0.0066 944 LEU A C 492 O O . LEU A 65 ? 0.9132 0.3156 0.3282 -0.0202 0.1533 0.0116 944 LEU A O 493 C CB . LEU A 65 ? 1.1449 0.4513 0.3889 -0.0219 0.2025 -0.0148 944 LEU A CB 494 C CG . LEU A 65 ? 1.2822 0.5447 0.4638 -0.0168 0.2255 -0.0426 944 LEU A CG 495 C CD1 . LEU A 65 ? 1.4144 0.6086 0.4603 -0.0232 0.2286 -0.0453 944 LEU A CD1 496 C CD2 . LEU A 65 ? 1.3340 0.6137 0.5654 -0.0072 0.2869 -0.0479 944 LEU A CD2 497 N N . SER A 66 ? 0.9759 0.3528 0.3286 -0.0197 0.0835 0.0147 945 SER A N 498 C CA . SER A 66 ? 0.9047 0.3187 0.3261 -0.0152 0.0644 0.0269 945 SER A CA 499 C C . SER A 66 ? 0.9447 0.3616 0.3626 -0.0092 0.0207 0.0288 945 SER A C 500 O O . SER A 66 ? 1.0260 0.4140 0.3838 -0.0106 0.0000 0.0282 945 SER A O 501 C CB . SER A 66 ? 0.9402 0.3480 0.3616 -0.0203 0.0760 0.0462 945 SER A CB 502 O OG . SER A 66 ? 1.1197 0.4843 0.4650 -0.0232 0.0671 0.0577 945 SER A OG 503 N N . TYR A 67 ? 0.8123 0.2640 0.2936 -0.0018 0.0072 0.0317 946 TYR A N 504 C CA . TYR A 67 ? 0.7974 0.2632 0.2965 0.0070 -0.0262 0.0362 946 TYR A CA 505 C C . TYR A 67 ? 0.8073 0.2969 0.3567 0.0173 -0.0251 0.0446 946 TYR A C 506 O O . TYR A 67 ? 0.7724 0.2786 0.3561 0.0163 -0.0079 0.0416 946 TYR A O 507 C CB . TYR A 67 ? 0.8266 0.3063 0.3423 0.0035 -0.0452 0.0236 946 TYR A CB 508 C CG . TYR A 67 ? 0.8584 0.3627 0.4081 0.0118 -0.0785 0.0313 946 TYR A CG 509 C CD1 . TYR A 67 ? 0.9103 0.3987 0.4232 0.0143 -0.1115 0.0379 946 TYR A CD1 510 C CD2 . TYR A 67 ? 0.8511 0.3957 0.4722 0.0187 -0.0760 0.0340 946 TYR A CD2 511 C CE1 . TYR A 67 ? 0.9104 0.4303 0.4715 0.0251 -0.1429 0.0472 946 TYR A CE1 512 C CE2 . TYR A 67 ? 0.8682 0.4430 0.5338 0.0286 -0.0993 0.0426 946 TYR A CE2 513 C CZ . TYR A 67 ? 1.0411 0.6073 0.6839 0.0329 -0.1335 0.0493 946 TYR A CZ 514 O OH . TYR A 67 ? 1.1349 0.7384 0.8365 0.0458 -0.1575 0.0596 946 TYR A OH 515 N N . LEU A 68 ? 0.7884 0.2731 0.3348 0.0290 -0.0443 0.0555 947 LEU A N 516 C CA . LEU A 68 ? 0.7640 0.2569 0.3407 0.0428 -0.0432 0.0617 947 LEU A CA 517 C C . LEU A 68 ? 0.8229 0.3532 0.4507 0.0546 -0.0527 0.0602 947 LEU A C 518 O O . LEU A 68 ? 0.8712 0.4107 0.5100 0.0645 -0.0747 0.0660 947 LEU A O 519 C CB . LEU A 68 ? 0.8035 0.2608 0.3448 0.0516 -0.0552 0.0748 947 LEU A CB 520 C CG . LEU A 68 ? 0.8778 0.3093 0.4133 0.0542 -0.0440 0.0789 947 LEU A CG 521 C CD1 . LEU A 68 ? 0.8887 0.3105 0.4135 0.0330 -0.0239 0.0763 947 LEU A CD1 522 C CD2 . LEU A 68 ? 0.9499 0.3377 0.4482 0.0634 -0.0577 0.0934 947 LEU A CD2 523 N N . VAL A 69 ? 0.7361 0.2893 0.3983 0.0531 -0.0366 0.0546 948 VAL A N 524 C CA . VAL A 69 ? 0.7149 0.3042 0.4287 0.0615 -0.0366 0.0559 948 VAL A CA 525 C C . VAL A 69 ? 0.8177 0.4066 0.5424 0.0835 -0.0293 0.0622 948 VAL A C 526 O O . VAL A 69 ? 0.8323 0.3981 0.5324 0.0865 -0.0158 0.0601 948 VAL A O 527 C CB . VAL A 69 ? 0.7107 0.3158 0.4481 0.0511 -0.0199 0.0508 948 VAL A CB 528 C CG1 . VAL A 69 ? 0.6902 0.3310 0.4820 0.0559 -0.0156 0.0558 948 VAL A CG1 529 C CG2 . VAL A 69 ? 0.7011 0.2959 0.4229 0.0333 -0.0233 0.0415 948 VAL A CG2 530 N N . THR A 70 ? 0.7832 0.3949 0.5445 0.0998 -0.0400 0.0691 949 THR A N 531 C CA . THR A 70 ? 0.7892 0.3977 0.5633 0.1268 -0.0279 0.0737 949 THR A CA 532 C C . THR A 70 ? 0.7930 0.4502 0.6350 0.1393 -0.0110 0.0782 949 THR A C 533 O O . THR A 70 ? 0.7740 0.4685 0.6584 0.1234 -0.0135 0.0794 949 THR A O 534 C CB . THR A 70 ? 0.9211 0.5056 0.6794 0.1431 -0.0492 0.0813 949 THR A CB 535 O OG1 . THR A 70 ? 0.9190 0.5336 0.7094 0.1404 -0.0791 0.0885 949 THR A OG1 536 C CG2 . THR A 70 ? 0.9711 0.4998 0.6605 0.1321 -0.0541 0.0800 949 THR A CG2 537 N N . GLY A 71 ? 0.7337 0.3861 0.5845 0.1668 0.0094 0.0803 950 GLY A N 538 C CA . GLY A 71 ? 0.7268 0.4250 0.6434 0.1829 0.0359 0.0865 950 GLY A CA 539 C C . GLY A 71 ? 0.7767 0.4837 0.6903 0.1703 0.0672 0.0853 950 GLY A C 540 O O . GLY A 71 ? 0.7712 0.5254 0.7495 0.1716 0.0877 0.0942 950 GLY A O 541 N N . LEU A 72 ? 0.7291 0.3912 0.5709 0.1574 0.0700 0.0769 951 LEU A N 542 C CA . LEU A 72 ? 0.7057 0.3631 0.5273 0.1461 0.0927 0.0778 951 LEU A CA 543 C C . LEU A 72 ? 0.8054 0.4352 0.5869 0.1695 0.1269 0.0759 951 LEU A C 544 O O . LEU A 72 ? 0.8614 0.4609 0.6152 0.1910 0.1285 0.0684 951 LEU A O 545 C CB . LEU A 72 ? 0.6825 0.3084 0.4541 0.1241 0.0734 0.0712 951 LEU A CB 546 C CG . LEU A 72 ? 0.6836 0.3226 0.4750 0.1032 0.0454 0.0692 951 LEU A CG 547 C CD1 . LEU A 72 ? 0.6602 0.2665 0.4046 0.0896 0.0331 0.0623 951 LEU A CD1 548 C CD2 . LEU A 72 ? 0.6810 0.3535 0.5207 0.0870 0.0481 0.0743 951 LEU A CD2 549 N N . LYS A 73 ? 0.7449 0.3788 0.5184 0.1664 0.1557 0.0830 952 LYS A N 550 C CA . LYS A 73 ? 0.8004 0.4009 0.5193 0.1877 0.1923 0.0811 952 LYS A CA 551 C C . LYS A 73 ? 0.8975 0.4308 0.5163 0.1838 0.1753 0.0679 952 LYS A C 552 O O . LYS A 73 ? 0.8876 0.4162 0.4957 0.1605 0.1457 0.0680 952 LYS A O 553 C CB . LYS A 73 ? 0.8427 0.4665 0.5801 0.1827 0.2299 0.0975 952 LYS A CB 554 C CG . LYS A 73 ? 1.0660 0.7492 0.8960 0.1960 0.2641 0.1099 952 LYS A CG 555 C CD . LYS A 73 ? 1.2196 0.8933 1.0218 0.2105 0.3239 0.1207 952 LYS A CD 556 C CE . LYS A 73 ? 1.1136 0.8225 0.9637 0.1874 0.3468 0.1435 952 LYS A CE 557 N NZ . LYS A 73 ? 0.9964 0.6872 0.8044 0.2025 0.4107 0.1564 952 LYS A NZ 558 N N . PRO A 74 ? 0.8969 0.3764 0.4434 0.2056 0.1917 0.0557 953 PRO A N 559 C CA . PRO A 74 ? 0.9345 0.3498 0.3873 0.1963 0.1681 0.0428 953 PRO A CA 560 C C . PRO A 74 ? 1.0106 0.4193 0.4243 0.1828 0.1722 0.0538 953 PRO A C 561 O O . PRO A 74 ? 1.0152 0.4484 0.4480 0.1881 0.2079 0.0689 953 PRO A O 562 C CB . PRO A 74 ? 1.0351 0.3906 0.4192 0.2243 0.1892 0.0257 953 PRO A CB 563 C CG . PRO A 74 ? 1.0751 0.4687 0.5295 0.2509 0.2213 0.0303 953 PRO A CG 564 C CD . PRO A 74 ? 0.9575 0.4288 0.5021 0.2394 0.2335 0.0520 953 PRO A CD 565 N N . ASN A 75 ? 0.9597 0.3375 0.3258 0.1647 0.1352 0.0493 954 ASN A N 566 C CA . ASN A 75 ? 0.9616 0.3276 0.2876 0.1538 0.1290 0.0619 954 ASN A CA 567 C C . ASN A 75 ? 0.9926 0.4106 0.3875 0.1446 0.1456 0.0843 954 ASN A C 568 O O . ASN A 75 ? 1.0618 0.4693 0.4253 0.1477 0.1703 0.1000 954 ASN A O 569 C CB . ASN A 75 ? 0.9563 0.2618 0.1755 0.1695 0.1497 0.0580 954 ASN A CB 570 C CG . ASN A 75 ? 1.1507 0.4247 0.3043 0.1571 0.1227 0.0678 954 ASN A CG 571 O OD1 . ASN A 75 ? 1.1681 0.4496 0.3412 0.1386 0.0761 0.0677 954 ASN A OD1 572 N ND2 . ASN A 75 ? 0.9279 0.1709 0.0705 0.1708 0.1450 0.0576 954 ASN A ND2 573 N N . THR A 76 ? 0.8649 0.3317 0.3467 0.1323 0.1327 0.0858 955 THR A N 574 C CA . THR A 76 ? 0.8108 0.3190 0.3577 0.1209 0.1449 0.1029 955 THR A CA 575 C C . THR A 76 ? 0.8221 0.3446 0.4048 0.1021 0.1122 0.1027 955 THR A C 576 O O . THR A 76 ? 0.8205 0.3508 0.4226 0.0972 0.0901 0.0900 955 THR A O 577 C CB . THR A 76 ? 0.8101 0.3628 0.4280 0.1276 0.1719 0.1054 955 THR A CB 578 O OG1 . THR A 76 ? 0.8475 0.3861 0.4323 0.1491 0.2122 0.1079 955 THR A OG1 579 C CG2 . THR A 76 ? 0.6279 0.2224 0.3212 0.1096 0.1788 0.1205 955 THR A CG2 580 N N . LEU A 77 ? 0.7729 0.2950 0.3628 0.0930 0.1128 0.1180 956 LEU A N 581 C CA . LEU A 77 ? 0.7179 0.2502 0.3448 0.0793 0.0890 0.1188 956 LEU A CA 582 C C . LEU A 77 ? 0.7453 0.3108 0.4432 0.0680 0.0980 0.1188 956 LEU A C 583 O O . LEU A 77 ? 0.7423 0.3188 0.4655 0.0644 0.1222 0.1313 956 LEU A O 584 C CB . LEU A 77 ? 0.7412 0.2475 0.3379 0.0789 0.0814 0.1361 956 LEU A CB 585 C CG . LEU A 77 ? 0.7527 0.2659 0.3911 0.0710 0.0614 0.1384 956 LEU A CG 586 C CD1 . LEU A 77 ? 0.7404 0.2600 0.3847 0.0700 0.0325 0.1241 956 LEU A CD1 587 C CD2 . LEU A 77 ? 0.8158 0.3025 0.4312 0.0745 0.0584 0.1610 956 LEU A CD2 588 N N . TYR A 78 ? 0.6454 0.2234 0.3721 0.0602 0.0781 0.1048 957 TYR A N 589 C CA . TYR A 78 ? 0.6133 0.2127 0.3914 0.0480 0.0766 0.0987 957 TYR A CA 590 C C . TYR A 78 ? 0.6839 0.2729 0.4749 0.0394 0.0647 0.0937 957 TYR A C 591 O O . TYR A 78 ? 0.7092 0.2871 0.4824 0.0441 0.0539 0.0918 957 TYR A O 592 C CB . TYR A 78 ? 0.5978 0.2134 0.3837 0.0500 0.0667 0.0852 957 TYR A CB 593 C CG . TYR A 78 ? 0.5963 0.2262 0.3865 0.0623 0.0812 0.0892 957 TYR A CG 594 C CD1 . TYR A 78 ? 0.6125 0.2750 0.4572 0.0584 0.0909 0.0946 957 TYR A CD1 595 C CD2 . TYR A 78 ? 0.6211 0.2315 0.3658 0.0782 0.0849 0.0866 957 TYR A CD2 596 C CE1 . TYR A 78 ? 0.6451 0.3276 0.5072 0.0739 0.1093 0.0997 957 TYR A CE1 597 C CE2 . TYR A 78 ? 0.6520 0.2709 0.4005 0.0947 0.1033 0.0882 957 TYR A CE2 598 C CZ . TYR A 78 ? 0.7308 0.3895 0.5422 0.0946 0.1183 0.0960 957 TYR A CZ 599 O OH . TYR A 78 ? 0.7167 0.3904 0.5446 0.1148 0.1417 0.0992 957 TYR A OH 600 N N . GLU A 79 ? 0.6344 0.2272 0.4606 0.0268 0.0667 0.0903 958 GLU A N 601 C CA . GLU A 79 ? 0.6318 0.2082 0.4708 0.0194 0.0608 0.0809 958 GLU A CA 602 C C . GLU A 79 ? 0.6799 0.2633 0.5204 0.0115 0.0491 0.0608 958 GLU A C 603 O O . GLU A 79 ? 0.6833 0.2847 0.5394 0.0044 0.0437 0.0587 958 GLU A O 604 C CB . GLU A 79 ? 0.6735 0.2376 0.5417 0.0069 0.0699 0.0888 958 GLU A CB 605 C CG . GLU A 79 ? 0.9246 0.4699 0.7854 0.0126 0.0828 0.1124 958 GLU A CG 606 C CD . GLU A 79 ? 1.3202 0.8430 1.2105 -0.0024 0.0923 0.1211 958 GLU A CD 607 O OE1 . GLU A 79 ? 1.0502 0.5744 0.9697 -0.0198 0.0863 0.1057 958 GLU A OE1 608 O OE2 . GLU A 79 ? 1.3950 0.8930 1.2748 0.0019 0.1030 0.1437 958 GLU A OE2 609 N N . PHE A 80 ? 0.6473 0.2166 0.4732 0.0129 0.0459 0.0477 959 PHE A N 610 C CA . PHE A 80 ? 0.6617 0.2265 0.4707 0.0054 0.0369 0.0298 959 PHE A CA 611 C C . PHE A 80 ? 0.8194 0.3528 0.6200 0.0012 0.0431 0.0134 959 PHE A C 612 O O . PHE A 80 ? 0.8432 0.3660 0.6508 0.0112 0.0563 0.0151 959 PHE A O 613 C CB . PHE A 80 ? 0.6614 0.2337 0.4436 0.0125 0.0339 0.0288 959 PHE A CB 614 C CG . PHE A 80 ? 0.6603 0.2506 0.4405 0.0202 0.0297 0.0405 959 PHE A CG 615 C CD1 . PHE A 80 ? 0.6898 0.2812 0.4674 0.0290 0.0345 0.0511 959 PHE A CD1 616 C CD2 . PHE A 80 ? 0.6807 0.2814 0.4565 0.0205 0.0188 0.0399 959 PHE A CD2 617 C CE1 . PHE A 80 ? 0.7061 0.3019 0.4691 0.0371 0.0326 0.0574 959 PHE A CE1 618 C CE2 . PHE A 80 ? 0.6992 0.3093 0.4716 0.0319 0.0193 0.0484 959 PHE A CE2 619 C CZ . PHE A 80 ? 0.6849 0.2889 0.4464 0.0398 0.0281 0.0553 959 PHE A CZ 620 N N . SER A 81 ? 0.8106 0.3269 0.5961 -0.0123 0.0322 -0.0031 960 SER A N 621 C CA . SER A 81 ? 0.8383 0.3126 0.5987 -0.0166 0.0386 -0.0246 960 SER A CA 622 C C . SER A 81 ? 0.9312 0.3924 0.6418 -0.0258 0.0227 -0.0409 960 SER A C 623 O O . SER A 81 ? 0.9304 0.4157 0.6445 -0.0325 -0.0002 -0.0344 960 SER A O 624 C CB . SER A 81 ? 0.8680 0.3162 0.6518 -0.0290 0.0353 -0.0296 960 SER A CB 625 O OG . SER A 81 ? 0.9605 0.4331 0.7901 -0.0300 0.0365 -0.0065 960 SER A OG 626 N N . VAL A 82 ? 0.9193 0.3417 0.5811 -0.0235 0.0362 -0.0603 961 VAL A N 627 C CA . VAL A 82 ? 0.9575 0.3534 0.5500 -0.0316 0.0232 -0.0759 961 VAL A CA 628 C C . VAL A 82 ? 1.0712 0.4055 0.6175 -0.0406 0.0246 -0.1056 961 VAL A C 629 O O . VAL A 82 ? 1.0508 0.3624 0.6191 -0.0347 0.0457 -0.1133 961 VAL A O 630 C CB . VAL A 82 ? 1.0002 0.4004 0.5564 -0.0199 0.0448 -0.0696 961 VAL A CB 631 C CG1 . VAL A 82 ? 1.0542 0.4248 0.5295 -0.0279 0.0287 -0.0783 961 VAL A CG1 632 C CG2 . VAL A 82 ? 0.9257 0.3753 0.5284 -0.0117 0.0446 -0.0440 961 VAL A CG2 633 N N . MET A 83 ? 1.1168 0.4185 0.5954 -0.0543 -0.0014 -0.1222 962 MET A N 634 C CA . MET A 83 ? 1.2164 0.4471 0.6264 -0.0649 -0.0054 -0.1550 962 MET A CA 635 C C . MET A 83 ? 1.3651 0.5618 0.6716 -0.0686 -0.0184 -0.1656 962 MET A C 636 O O . MET A 83 ? 1.3434 0.5759 0.6484 -0.0680 -0.0381 -0.1452 962 MET A O 637 C CB . MET A 83 ? 1.2635 0.4827 0.7074 -0.0887 -0.0426 -0.1651 962 MET A CB 638 C CG . MET A 83 ? 1.3031 0.5604 0.7660 -0.1071 -0.0950 -0.1542 962 MET A CG 639 S SD . MET A 83 ? 1.4328 0.6585 0.9074 -0.1439 -0.1472 -0.1762 962 MET A SD 640 C CE . MET A 83 ? 1.5436 0.6699 0.8713 -0.1498 -0.1567 -0.2173 962 MET A CE 641 N N . VAL A 84 ? 1.4275 0.5489 0.6411 -0.0701 -0.0047 -0.1964 963 VAL A N 642 C CA . VAL A 84 ? 1.5087 0.5816 0.6007 -0.0735 -0.0133 -0.2077 963 VAL A CA 643 C C . VAL A 84 ? 1.6565 0.6654 0.6745 -0.0974 -0.0630 -0.2383 963 VAL A C 644 O O . VAL A 84 ? 1.6708 0.6544 0.7193 -0.1083 -0.0707 -0.2585 963 VAL A O 645 C CB . VAL A 84 ? 1.5968 0.6321 0.6263 -0.0528 0.0532 -0.2163 963 VAL A CB 646 C CG1 . VAL A 84 ? 1.6572 0.6304 0.6660 -0.0454 0.0883 -0.2501 963 VAL A CG1 647 C CG2 . VAL A 84 ? 1.6912 0.6826 0.5936 -0.0550 0.0520 -0.2176 963 VAL A CG2 648 N N . THR A 85 ? 1.6822 0.6645 0.6067 -0.1073 -0.1022 -0.2395 964 THR A N 649 C CA . THR A 85 ? 1.8041 0.7200 0.6390 -0.1317 -0.1591 -0.2687 964 THR A CA 650 C C . THR A 85 ? 1.9801 0.8317 0.6580 -0.1273 -0.1585 -0.2748 964 THR A C 651 O O . THR A 85 ? 1.9598 0.8467 0.6300 -0.1214 -0.1744 -0.2443 964 THR A O 652 C CB . THR A 85 ? 1.8237 0.7959 0.7442 -0.1553 -0.2355 -0.2553 964 THR A CB 653 O OG1 . THR A 85 ? 1.7404 0.7590 0.7918 -0.1612 -0.2268 -0.2508 964 THR A OG1 654 C CG2 . THR A 85 ? 1.9154 0.8235 0.7493 -0.1841 -0.3043 -0.2845 964 THR A CG2 655 N N . LYS A 86 ? 2.0720 0.8237 0.6201 -0.1274 -0.1335 -0.3126 965 LYS A N 656 C CA . LYS A 86 ? 2.2196 0.8924 0.5928 -0.1245 -0.1291 -0.3215 965 LYS A CA 657 C C . LYS A 86 ? 2.4408 1.0269 0.7005 -0.1511 -0.1966 -0.3594 965 LYS A C 658 O O . LYS A 86 ? 2.5424 1.0429 0.7269 -0.1539 -0.1739 -0.4023 965 LYS A O 659 C CB . LYS A 86 ? 2.2918 0.9158 0.5958 -0.0994 -0.0330 -0.3338 965 LYS A CB 660 C CG . LYS A 86 ? 2.4175 0.9678 0.5443 -0.0944 -0.0142 -0.3334 965 LYS A CG 661 C CD . LYS A 86 ? 2.4620 0.9978 0.5644 -0.0678 0.0911 -0.3317 965 LYS A CD 662 C CE . LYS A 86 ? 2.5625 1.0016 0.5693 -0.0575 0.1448 -0.3802 965 LYS A CE 663 N NZ . LYS A 86 ? 2.7214 1.0407 0.5081 -0.0641 0.1386 -0.4056 965 LYS A NZ 664 N N . GLY A 87 ? 2.4269 1.0373 0.6858 -0.1703 -0.2823 -0.3441 966 GLY A N 665 C CA . GLY A 87 ? 2.5745 1.1161 0.7436 -0.2010 -0.3654 -0.3761 966 GLY A CA 666 C C . GLY A 87 ? 2.5731 1.1348 0.8596 -0.2253 -0.3968 -0.3978 966 GLY A C 667 O O . GLY A 87 ? 2.4056 1.0700 0.8672 -0.2257 -0.3994 -0.3700 966 GLY A O 668 N N . ARG A 88 ? 2.6775 1.1342 0.8642 -0.2455 -0.4150 -0.4481 967 ARG A N 669 C CA . ARG A 88 ? 2.6468 1.1043 0.9339 -0.2727 -0.4426 -0.4715 967 ARG A CA 670 C C . ARG A 88 ? 2.6026 1.0762 0.9869 -0.2513 -0.3551 -0.4734 967 ARG A C 671 O O . ARG A 88 ? 2.5612 1.0436 1.0465 -0.2703 -0.3675 -0.4835 967 ARG A O 672 C CB . ARG A 88 ? 2.8134 1.1466 0.9595 -0.3062 -0.5037 -0.5253 967 ARG A CB 673 C CG . ARG A 88 ? 2.8692 1.2204 0.9980 -0.3395 -0.6189 -0.5179 967 ARG A CG 674 C CD . ARG A 88 ? 3.0891 1.3103 1.0683 -0.3757 -0.6862 -0.5737 967 ARG A CD 675 N NE . ARG A 88 ? 3.3702 1.4647 1.1095 -0.3582 -0.6593 -0.6021 967 ARG A NE 676 C CZ . ARG A 88 ? 3.6251 1.7311 1.3505 -0.3536 -0.6185 -0.6651 967 ARG A CZ 677 N NH1 . ARG A 88 ? 3.6086 1.6648 1.3772 -0.3843 -0.6432 -0.7035 967 ARG A NH1 678 N NH2 . ARG A 88 ? 3.6483 1.5866 1.0988 -0.3406 -0.6013 -0.6852 967 ARG A NH2 679 N N . ARG A 89 ? 2.5161 0.9983 0.8779 -0.2125 -0.2697 -0.4591 968 ARG A N 680 C CA . ARG A 89 ? 2.4241 0.9275 0.8741 -0.1857 -0.1871 -0.4554 968 ARG A CA 681 C C . ARG A 89 ? 2.2862 0.9239 0.9092 -0.1736 -0.1739 -0.4033 968 ARG A C 682 O O . ARG A 89 ? 2.2211 0.9204 0.8539 -0.1675 -0.1880 -0.3699 968 ARG A O 683 C CB . ARG A 89 ? 2.4812 0.9253 0.8180 -0.1511 -0.1026 -0.4680 968 ARG A CB 684 C CG . ARG A 89 ? 2.6981 0.9980 0.8687 -0.1527 -0.0864 -0.5252 968 ARG A CG 685 C CD . ARG A 89 ? 2.7289 0.9881 0.8281 -0.1125 0.0156 -0.5334 968 ARG A CD 686 N NE . ARG A 89 ? 2.7619 1.0639 0.9977 -0.0859 0.0807 -0.5258 968 ARG A NE 687 C CZ . ARG A 89 ? 2.9172 1.2301 1.1644 -0.0478 0.1712 -0.5186 968 ARG A CZ 688 N NH1 . ARG A 89 ? 2.7674 1.0497 0.8958 -0.0331 0.2158 -0.5180 968 ARG A NH1 689 N NH2 . ARG A 89 ? 2.6676 1.0232 1.0483 -0.0243 0.2173 -0.5094 968 ARG A NH2 690 N N . SER A 90 ? 2.1465 0.8199 0.8957 -0.1683 -0.1449 -0.3965 969 SER A N 691 C CA . SER A 90 ? 1.9541 0.7412 0.8571 -0.1556 -0.1271 -0.3513 969 SER A CA 692 C C . SER A 90 ? 1.9124 0.7013 0.8859 -0.1312 -0.0612 -0.3496 969 SER A C 693 O O . SER A 90 ? 2.0113 0.7147 0.9236 -0.1232 -0.0298 -0.3838 969 SER A O 694 C CB . SER A 90 ? 1.9383 0.7911 0.9486 -0.1851 -0.1920 -0.3321 969 SER A CB 695 O OG . SER A 90 ? 2.1333 0.9326 1.1549 -0.2146 -0.2236 -0.3603 969 SER A OG 696 N N . SER A 91 ? 1.6944 0.5751 0.7904 -0.1171 -0.0414 -0.3105 970 SER A N 697 C CA . SER A 91 ? 1.6187 0.5119 0.7897 -0.0920 0.0129 -0.3013 970 SER A CA 698 C C . SER A 91 ? 1.5587 0.5237 0.8605 -0.0993 -0.0026 -0.2688 970 SER A C 699 O O . SER A 91 ? 1.5059 0.5318 0.8502 -0.1162 -0.0422 -0.2471 970 SER A O 700 C CB . SER A 91 ? 1.5857 0.5122 0.7514 -0.0589 0.0684 -0.2848 970 SER A CB 701 O OG . SER A 91 ? 1.4200 0.4395 0.6571 -0.0536 0.0639 -0.2448 970 SER A OG 702 N N . THR A 92 ? 1.4775 0.4350 0.8420 -0.0836 0.0312 -0.2629 971 THR A N 703 C CA . THR A 92 ? 1.3748 0.3948 0.8508 -0.0869 0.0243 -0.2281 971 THR A CA 704 C C . THR A 92 ? 1.3194 0.4259 0.8373 -0.0681 0.0375 -0.1934 971 THR A C 705 O O . THR A 92 ? 1.3182 0.4326 0.7925 -0.0504 0.0600 -0.1953 971 THR A O 706 C CB . THR A 92 ? 1.4276 0.4202 0.9536 -0.0679 0.0587 -0.2228 971 THR A CB 707 O OG1 . THR A 92 ? 1.4864 0.4075 0.9537 -0.0450 0.0961 -0.2527 971 THR A OG1 708 C CG2 . THR A 92 ? 1.3986 0.3780 0.9845 -0.0932 0.0352 -0.2135 971 THR A CG2 709 N N . TRP A 93 ? 1.1698 0.3350 0.7707 -0.0725 0.0273 -0.1617 972 TRP A N 710 C CA . TRP A 93 ? 1.0567 0.2953 0.6976 -0.0567 0.0365 -0.1304 972 TRP A CA 711 C C . TRP A 93 ? 1.0609 0.3039 0.7203 -0.0260 0.0768 -0.1212 972 TRP A C 712 O O . TRP A 93 ? 1.0772 0.2874 0.7612 -0.0151 0.0948 -0.1228 972 TRP A O 713 C CB . TRP A 93 ? 0.9793 0.2673 0.6912 -0.0698 0.0177 -0.1030 972 TRP A CB 714 C CG . TRP A 93 ? 1.0147 0.3173 0.7278 -0.0974 -0.0224 -0.1079 972 TRP A CG 715 C CD1 . TRP A 93 ? 1.1025 0.3777 0.8324 -0.1264 -0.0480 -0.1199 972 TRP A CD1 716 C CD2 . TRP A 93 ? 0.9908 0.3398 0.6948 -0.0988 -0.0448 -0.0998 972 TRP A CD2 717 N NE1 . TRP A 93 ? 1.1034 0.4141 0.8437 -0.1459 -0.0875 -0.1188 972 TRP A NE1 718 C CE2 . TRP A 93 ? 1.0774 0.4318 0.7996 -0.1268 -0.0859 -0.1063 972 TRP A CE2 719 C CE3 . TRP A 93 ? 0.9716 0.3564 0.6581 -0.0794 -0.0358 -0.0866 972 TRP A CE3 720 C CZ2 . TRP A 93 ? 1.0547 0.4533 0.7821 -0.1312 -0.1185 -0.0980 972 TRP A CZ2 721 C CZ3 . TRP A 93 ? 0.9842 0.4030 0.6673 -0.0844 -0.0654 -0.0793 972 TRP A CZ3 722 C CH2 . TRP A 93 ? 1.0195 0.4467 0.7241 -0.1078 -0.1064 -0.0843 972 TRP A CH2 723 N N . SER A 94 ? 0.9739 0.2562 0.6239 -0.0125 0.0886 -0.1110 973 SER A N 724 C CA . SER A 94 ? 0.9309 0.2360 0.6087 0.0135 0.1210 -0.0990 973 SER A CA 725 C C . SER A 94 ? 0.9369 0.2764 0.6864 0.0232 0.1188 -0.0704 973 SER A C 726 O O . SER A 94 ? 0.9082 0.2560 0.6813 0.0101 0.0982 -0.0574 973 SER A O 727 C CB . SER A 94 ? 0.8877 0.2332 0.5463 0.0150 0.1228 -0.0894 973 SER A CB 728 O OG . SER A 94 ? 0.8451 0.2399 0.5374 0.0083 0.0984 -0.0653 973 SER A OG 729 N N . MET A 95 ? 0.8919 0.2554 0.6756 0.0456 0.1397 -0.0583 974 MET A N 730 C CA . MET A 95 ? 0.8576 0.2547 0.6979 0.0571 0.1330 -0.0294 974 MET A CA 731 C C . MET A 95 ? 0.8962 0.3339 0.7348 0.0427 0.1077 -0.0110 974 MET A C 732 O O . MET A 95 ? 0.8670 0.3191 0.6742 0.0312 0.0999 -0.0176 974 MET A O 733 C CB . MET A 95 ? 0.8712 0.2995 0.7492 0.0796 0.1521 -0.0210 974 MET A CB 734 C CG . MET A 95 ? 0.8983 0.3571 0.7547 0.0732 0.1593 -0.0250 974 MET A CG 735 S SD . MET A 95 ? 0.9006 0.4200 0.8199 0.0857 0.1623 -0.0023 974 MET A SD 736 C CE . MET A 95 ? 0.8061 0.3483 0.7356 0.0786 0.1222 0.0227 974 MET A CE 737 N N . THR A 96 ? 0.8802 0.3298 0.7470 0.0456 0.0970 0.0125 975 THR A N 738 C CA . THR A 96 ? 0.8472 0.3290 0.7088 0.0368 0.0807 0.0286 975 THR A CA 739 C C . THR A 96 ? 0.8649 0.3818 0.7338 0.0477 0.0759 0.0418 975 THR A C 740 O O . THR A 96 ? 0.8807 0.4035 0.7769 0.0627 0.0759 0.0539 975 THR A O 741 C CB . THR A 96 ? 0.9734 0.4440 0.8460 0.0289 0.0753 0.0451 975 THR A CB 742 O OG1 . THR A 96 ? 1.0975 0.5507 0.9901 0.0442 0.0794 0.0623 975 THR A OG1 743 C CG2 . THR A 96 ? 0.9637 0.4050 0.8348 0.0091 0.0742 0.0301 975 THR A CG2 744 N N . ALA A 97 ? 0.7747 0.3122 0.6212 0.0396 0.0684 0.0391 976 ALA A N 745 C CA . ALA A 97 ? 0.7413 0.3045 0.5864 0.0434 0.0598 0.0486 976 ALA A CA 746 C C . ALA A 97 ? 0.7573 0.3260 0.5857 0.0414 0.0479 0.0615 976 ALA A C 747 O O . ALA A 97 ? 0.7594 0.3240 0.5805 0.0342 0.0496 0.0602 976 ALA A O 748 C CB . ALA A 97 ? 0.7478 0.3178 0.5722 0.0364 0.0633 0.0365 976 ALA A CB 749 N N . HIS A 98 ? 0.6795 0.2567 0.5031 0.0477 0.0365 0.0737 977 HIS A N 750 C CA . HIS A 98 ? 0.6587 0.2322 0.4529 0.0490 0.0304 0.0843 977 HIS A CA 751 C C . HIS A 98 ? 0.7139 0.2926 0.4844 0.0483 0.0185 0.0808 977 HIS A C 752 O O . HIS A 98 ? 0.7070 0.2937 0.4912 0.0469 0.0080 0.0793 977 HIS A O 753 C CB . HIS A 98 ? 0.6753 0.2352 0.4642 0.0576 0.0247 0.1034 977 HIS A CB 754 C CG . HIS A 98 ? 0.7258 0.2703 0.5355 0.0577 0.0368 0.1103 977 HIS A CG 755 N ND1 . HIS A 98 ? 0.7417 0.2808 0.5868 0.0617 0.0399 0.1052 977 HIS A ND1 756 C CD2 . HIS A 98 ? 0.7571 0.2868 0.5580 0.0540 0.0488 0.1224 977 HIS A CD2 757 C CE1 . HIS A 98 ? 0.7497 0.2646 0.6016 0.0593 0.0501 0.1122 977 HIS A CE1 758 N NE2 . HIS A 98 ? 0.7609 0.2714 0.5899 0.0526 0.0555 0.1244 977 HIS A NE2 759 N N . GLY A 99 ? 0.6876 0.2606 0.4279 0.0496 0.0214 0.0805 978 GLY A N 760 C CA . GLY A 99 ? 0.7106 0.2749 0.4181 0.0508 0.0119 0.0758 978 GLY A CA 761 C C . GLY A 99 ? 0.8008 0.3504 0.4702 0.0601 0.0206 0.0798 978 GLY A C 762 O O . GLY A 99 ? 0.8221 0.3811 0.5044 0.0628 0.0386 0.0835 978 GLY A O 763 N N . ALA A 100 ? 0.7623 0.2875 0.3855 0.0644 0.0089 0.0786 979 ALA A N 764 C CA . ALA A 100 ? 0.7782 0.2804 0.3522 0.0765 0.0228 0.0794 979 ALA A CA 765 C C . ALA A 100 ? 0.8379 0.3165 0.3791 0.0800 0.0161 0.0648 979 ALA A C 766 O O . ALA A 100 ? 0.8562 0.3168 0.3798 0.0713 -0.0090 0.0581 979 ALA A O 767 C CB . ALA A 100 ? 0.8378 0.3139 0.3633 0.0808 0.0166 0.0907 979 ALA A CB 768 N N . THR A 101 ? 0.7769 0.2578 0.3208 0.0921 0.0375 0.0607 980 THR A N 769 C CA . THR A 101 ? 0.7815 0.2347 0.2975 0.1017 0.0371 0.0482 980 THR A CA 770 C C . THR A 101 ? 0.8589 0.2585 0.2963 0.1082 0.0316 0.0396 980 THR A C 771 O O . THR A 101 ? 0.8771 0.2645 0.2769 0.1129 0.0398 0.0458 980 THR A O 772 C CB . THR A 101 ? 0.8252 0.2963 0.3667 0.1202 0.0647 0.0501 980 THR A CB 773 O OG1 . THR A 101 ? 0.8894 0.3701 0.4266 0.1292 0.0926 0.0599 980 THR A OG1 774 C CG2 . THR A 101 ? 0.6637 0.1762 0.2702 0.1136 0.0599 0.0543 980 THR A CG2 775 N N . PHE A 102 ? 0.8287 0.1892 0.2343 0.1072 0.0164 0.0253 981 PHE A N 776 C CA . PHE A 102 ? 0.9028 0.2000 0.2244 0.1109 0.0058 0.0115 981 PHE A CA 777 C C . PHE A 102 ? 1.0662 0.3336 0.3336 0.1390 0.0427 0.0068 981 PHE A C 778 O O . PHE A 102 ? 1.0376 0.3389 0.3485 0.1563 0.0767 0.0142 981 PHE A O 779 C CB . PHE A 102 ? 0.9276 0.1835 0.2337 0.1020 -0.0160 -0.0036 981 PHE A CB 780 C CG . PHE A 102 ? 0.8713 0.1518 0.2292 0.0733 -0.0456 0.0014 981 PHE A CG 781 C CD1 . PHE A 102 ? 0.8341 0.1466 0.2191 0.0555 -0.0663 0.0107 981 PHE A CD1 782 C CD2 . PHE A 102 ? 0.9054 0.1735 0.2843 0.0656 -0.0504 -0.0016 981 PHE A CD2 783 C CE1 . PHE A 102 ? 0.8030 0.1427 0.2441 0.0315 -0.0859 0.0157 981 PHE A CE1 784 C CE2 . PHE A 102 ? 0.8940 0.1843 0.3194 0.0385 -0.0693 0.0051 981 PHE A CE2 785 C CZ . PHE A 102 ? 0.8204 0.1491 0.2799 0.0219 -0.0848 0.0127 981 PHE A CZ 786 N N . GLU A 103 ? 1.1298 0.3334 0.3015 0.1431 0.0359 -0.0056 982 GLU A N 787 C CA . GLU A 103 ? 1.2205 0.3848 0.3272 0.1720 0.0774 -0.0132 982 GLU A CA 788 C C . GLU A 103 ? 1.3165 0.4458 0.4213 0.1888 0.0867 -0.0318 982 GLU A C 789 O O . GLU A 103 ? 1.3142 0.4356 0.4444 0.1725 0.0543 -0.0381 982 GLU A O 790 C CB . GLU A 103 ? 1.3554 0.4464 0.3377 0.1725 0.0665 -0.0239 982 GLU A CB 791 C CG . GLU A 103 ? 1.4498 0.5598 0.4159 0.1616 0.0571 -0.0031 982 GLU A CG 792 C CD . GLU A 103 ? 1.9514 0.9868 0.7817 0.1680 0.0543 -0.0087 982 GLU A CD 793 O OE1 . GLU A 103 ? 2.1130 1.0718 0.8466 0.1803 0.0590 -0.0340 982 GLU A OE1 794 O OE2 . GLU A 103 ? 1.9791 1.0269 0.7932 0.1623 0.0490 0.0133 982 GLU A OE2 795 N N . LEU A 104 ? 1.1499 0.5268 0.5261 0.1525 0.1442 0.0638 983 LEU A N 796 C CA . LEU A 104 ? 1.1027 0.4915 0.4873 0.1388 0.1222 0.0679 983 LEU A CA 797 C C . LEU A 104 ? 1.0970 0.5066 0.5211 0.1389 0.1072 0.0685 983 LEU A C 798 O O . LEU A 104 ? 1.1020 0.5090 0.5352 0.1451 0.1095 0.0627 983 LEU A O 799 C CB . LEU A 104 ? 1.1217 0.4877 0.4690 0.1265 0.1092 0.0608 983 LEU A CB 800 C CG . LEU A 104 ? 1.1457 0.5213 0.4931 0.1204 0.0892 0.0694 983 LEU A CG 801 C CD1 . LEU A 104 ? 1.1488 0.5181 0.4761 0.1191 0.0985 0.0790 983 LEU A CD1 802 C CD2 . LEU A 104 ? 1.1724 0.5464 0.4936 0.1119 0.0723 0.0629 983 LEU A CD2 803 N N . VAL A 105 ? 0.9985 0.4226 0.4411 0.1321 0.0951 0.0752 984 VAL A N 804 C CA . VAL A 105 ? 0.9470 0.3871 0.4230 0.1304 0.0820 0.0744 984 VAL A CA 805 C C . VAL A 105 ? 0.9983 0.4266 0.4674 0.1296 0.0671 0.0650 984 VAL A C 806 O O . VAL A 105 ? 1.0139 0.4270 0.4513 0.1256 0.0623 0.0616 984 VAL A O 807 C CB . VAL A 105 ? 0.9729 0.4132 0.4549 0.1221 0.0753 0.0820 984 VAL A CB 808 C CG1 . VAL A 105 ? 0.9484 0.4144 0.4553 0.1143 0.0868 0.0856 984 VAL A CG1 809 C CG2 . VAL A 105 ? 1.0096 0.4264 0.4554 0.1202 0.0764 0.0887 984 VAL A CG2 810 N N . PRO A 106 ? 0.9479 0.3870 0.4425 0.1304 0.0596 0.0599 985 PRO A N 811 C CA . PRO A 106 ? 0.9564 0.3891 0.4408 0.1246 0.0456 0.0499 985 PRO A CA 812 C C . PRO A 106 ? 1.0186 0.4590 0.4966 0.1223 0.0279 0.0547 985 PRO A C 813 O O . PRO A 106 ? 1.0167 0.4602 0.5075 0.1266 0.0259 0.0652 985 PRO A O 814 C CB . PRO A 106 ? 0.9436 0.3890 0.4596 0.1260 0.0422 0.0459 985 PRO A CB 815 C CG . PRO A 106 ? 0.9737 0.4329 0.5112 0.1346 0.0568 0.0538 985 PRO A CG 816 C CD . PRO A 106 ? 0.9236 0.3871 0.4556 0.1333 0.0621 0.0627 985 PRO A CD 817 N N . THR A 107 ? 0.9860 0.4283 0.4374 0.1155 0.0186 0.0483 986 THR A N 818 C CA . THR A 107 ? 0.9746 0.4346 0.4164 0.1190 0.0022 0.0565 986 THR A CA 819 C C . THR A 107 ? 1.0356 0.5272 0.4868 0.1141 -0.0157 0.0487 986 THR A C 820 O O . THR A 107 ? 1.0715 0.5912 0.5118 0.1182 -0.0300 0.0550 986 THR A O 821 C CB . THR A 107 ? 0.9654 0.4176 0.3663 0.1159 0.0056 0.0600 986 THR A CB 822 O OG1 . THR A 107 ? 1.0003 0.4476 0.3735 0.0991 0.0104 0.0435 986 THR A OG1 823 C CG2 . THR A 107 ? 0.9104 0.3372 0.3043 0.1209 0.0230 0.0691 986 THR A CG2 824 N N . SER A 108 ? 0.9655 0.4573 0.4361 0.1065 -0.0140 0.0365 987 SER A N 825 C CA . SER A 108 ? 0.9615 0.4830 0.4425 0.0973 -0.0276 0.0262 987 SER A CA 826 C C . SER A 108 ? 1.0319 0.5491 0.5513 0.1023 -0.0251 0.0250 987 SER A C 827 O O . SER A 108 ? 1.0229 0.5153 0.5508 0.1058 -0.0105 0.0264 987 SER A O 828 C CB . SER A 108 ? 1.0296 0.5444 0.4769 0.0725 -0.0219 0.0069 987 SER A CB 829 O OG . SER A 108 ? 1.1261 0.6477 0.5809 0.0569 -0.0232 -0.0082 987 SER A OG 830 N N . PRO A 109 ? 0.9813 0.5279 0.5255 0.1048 -0.0385 0.0243 988 PRO A N 831 C CA . PRO A 109 ? 0.9402 0.4817 0.5174 0.1074 -0.0351 0.0226 988 PRO A CA 832 C C . PRO A 109 ? 0.9930 0.5271 0.5670 0.0913 -0.0295 0.0069 988 PRO A C 833 O O . PRO A 109 ? 1.0290 0.5668 0.5755 0.0742 -0.0308 -0.0053 988 PRO A O 834 C CB . PRO A 109 ? 0.9483 0.5218 0.5472 0.1170 -0.0495 0.0274 988 PRO A CB 835 C CG . PRO A 109 ? 1.0303 0.6403 0.6099 0.1121 -0.0625 0.0245 988 PRO A CG 836 C CD . PRO A 109 ? 1.0044 0.5968 0.5481 0.1066 -0.0565 0.0258 988 PRO A CD 837 N N . PRO A 110 ? 0.8913 0.4167 0.4893 0.0938 -0.0229 0.0064 989 PRO A N 838 C CA . PRO A 110 ? 0.8851 0.3985 0.4762 0.0809 -0.0160 -0.0064 989 PRO A CA 839 C C . PRO A 110 ? 0.9562 0.4978 0.5433 0.0634 -0.0294 -0.0195 989 PRO A C 840 O O . PRO A 110 ? 0.9486 0.5283 0.5570 0.0696 -0.0452 -0.0151 989 PRO A O 841 C CB . PRO A 110 ? 0.8627 0.3788 0.4864 0.0899 -0.0124 -0.0006 989 PRO A CB 842 C CG . PRO A 110 ? 0.9081 0.4264 0.5443 0.1033 -0.0092 0.0132 989 PRO A CG 843 C CD . PRO A 110 ? 0.8673 0.3941 0.4948 0.1055 -0.0197 0.0169 989 PRO A CD 844 N N . LYS A 111 ? 0.9291 0.4526 0.4836 0.0411 -0.0206 -0.0353 990 LYS A N 845 C CA . LYS A 111 ? 0.9239 0.4801 0.4688 0.0159 -0.0307 -0.0511 990 LYS A CA 846 C C . LYS A 111 ? 0.9864 0.5437 0.5488 0.0071 -0.0292 -0.0592 990 LYS A C 847 O O . LYS A 111 ? 0.9778 0.5017 0.5496 0.0185 -0.0171 -0.0536 990 LYS A O 848 C CB . LYS A 111 ? 0.9862 0.5155 0.4763 -0.0130 -0.0175 -0.0680 990 LYS A CB 849 C CG . LYS A 111 ? 1.1059 0.6483 0.5726 -0.0141 -0.0223 -0.0651 990 LYS A CG 850 C CD . LYS A 111 ? 1.3394 0.8246 0.7462 -0.0376 0.0021 -0.0802 990 LYS A CD 851 C CE . LYS A 111 ? 1.4879 0.9827 0.8509 -0.0838 0.0058 -0.1061 990 LYS A CE 852 N NZ . LYS A 111 ? 1.5772 1.1491 0.9385 -0.0975 -0.0173 -0.1079 990 LYS A NZ 853 N N . ASP A 112 ? 0.9626 0.5646 0.5273 -0.0141 -0.0409 -0.0720 991 ASP A N 854 C CA . ASP A 112 ? 0.9658 0.5754 0.5387 -0.0318 -0.0395 -0.0842 991 ASP A CA 855 C C . ASP A 112 ? 0.9821 0.5771 0.5903 -0.0109 -0.0372 -0.0738 991 ASP A C 856 O O . ASP A 112 ? 1.0335 0.5895 0.6295 -0.0188 -0.0221 -0.0788 991 ASP A O 857 C CB . ASP A 112 ? 1.0575 0.6218 0.5766 -0.0682 -0.0190 -0.1050 991 ASP A CB 858 C CG . ASP A 112 ? 1.2985 0.8686 0.7726 -0.0945 -0.0168 -0.1176 991 ASP A CG 859 O OD1 . ASP A 112 ? 1.2602 0.9060 0.7464 -0.1026 -0.0380 -0.1196 991 ASP A OD1 860 O OD2 . ASP A 112 ? 1.4245 0.9255 0.8497 -0.1048 0.0073 -0.1241 991 ASP A OD2 861 N N . VAL A 113 ? 0.8383 0.4626 0.4856 0.0150 -0.0501 -0.0589 992 VAL A N 862 C CA . VAL A 113 ? 0.7651 0.3841 0.4458 0.0312 -0.0489 -0.0502 992 VAL A CA 863 C C . VAL A 113 ? 0.8015 0.4498 0.5000 0.0179 -0.0548 -0.0609 992 VAL A C 864 O O . VAL A 113 ? 0.7815 0.4801 0.4935 0.0152 -0.0683 -0.0649 992 VAL A O 865 C CB . VAL A 113 ? 0.7592 0.3913 0.4659 0.0566 -0.0560 -0.0342 992 VAL A CB 866 C CG1 . VAL A 113 ? 0.7239 0.3548 0.4605 0.0647 -0.0537 -0.0296 992 VAL A CG1 867 C CG2 . VAL A 113 ? 0.7611 0.3649 0.4500 0.0672 -0.0486 -0.0240 992 VAL A CG2 868 N N . THR A 114 ? 0.7644 0.3854 0.4624 0.0117 -0.0438 -0.0639 993 THR A N 869 C CA . THR A 114 ? 0.7453 0.3878 0.4580 -0.0023 -0.0468 -0.0740 993 THR A CA 870 C C . THR A 114 ? 0.7614 0.3941 0.4992 0.0108 -0.0428 -0.0653 993 THR A C 871 O O . THR A 114 ? 0.7626 0.3680 0.4979 0.0252 -0.0340 -0.0533 993 THR A O 872 C CB . THR A 114 ? 0.9387 0.5576 0.6129 -0.0333 -0.0349 -0.0907 993 THR A CB 873 O OG1 . THR A 114 ? 1.0593 0.6135 0.7037 -0.0288 -0.0142 -0.0853 993 THR A OG1 874 C CG2 . THR A 114 ? 0.9462 0.5842 0.5928 -0.0548 -0.0386 -0.1030 993 THR A CG2 875 N N . VAL A 115 ? 0.6848 0.3479 0.4472 0.0050 -0.0493 -0.0714 994 VAL A N 876 C CA . VAL A 115 ? 0.6465 0.3077 0.4310 0.0114 -0.0462 -0.0663 994 VAL A CA 877 C C . VAL A 115 ? 0.7120 0.3802 0.4947 -0.0088 -0.0436 -0.0786 994 VAL A C 878 O O . VAL A 115 ? 0.7266 0.4280 0.5138 -0.0228 -0.0509 -0.0909 994 VAL A O 879 C CB . VAL A 115 ? 0.6504 0.3370 0.4677 0.0270 -0.0539 -0.0601 994 VAL A CB 880 C CG1 . VAL A 115 ? 0.6260 0.3084 0.4587 0.0281 -0.0483 -0.0558 994 VAL A CG1 881 C CG2 . VAL A 115 ? 0.6494 0.3281 0.4633 0.0436 -0.0555 -0.0494 994 VAL A CG2 882 N N . VAL A 116 ? 0.6545 0.2972 0.4301 -0.0097 -0.0330 -0.0742 995 VAL A N 883 C CA . VAL A 116 ? 0.6467 0.2890 0.4169 -0.0285 -0.0280 -0.0841 995 VAL A CA 884 C C . VAL A 116 ? 0.6729 0.3207 0.4629 -0.0191 -0.0262 -0.0748 995 VAL A C 885 O O . VAL A 116 ? 0.6580 0.2985 0.4518 -0.0016 -0.0231 -0.0601 995 VAL A O 886 C CB . VAL A 116 ? 0.7291 0.3217 0.4503 -0.0459 -0.0106 -0.0900 995 VAL A CB 887 C CG1 . VAL A 116 ? 0.7358 0.3329 0.4348 -0.0667 -0.0124 -0.1050 995 VAL A CG1 888 C CG2 . VAL A 116 ? 0.7573 0.2999 0.4527 -0.0255 0.0054 -0.0728 995 VAL A CG2 889 N N . SER A 117 ? 0.6185 0.2844 0.4196 -0.0330 -0.0274 -0.0839 996 SER A N 890 C CA . SER A 117 ? 0.5786 0.2526 0.3942 -0.0286 -0.0251 -0.0766 996 SER A CA 891 C C . SER A 117 ? 0.6191 0.2548 0.4020 -0.0258 -0.0098 -0.0656 996 SER A C 892 O O . SER A 117 ? 0.6425 0.2429 0.3914 -0.0379 0.0007 -0.0718 996 SER A O 893 C CB . SER A 117 ? 0.5685 0.2750 0.4063 -0.0431 -0.0305 -0.0899 996 SER A CB 894 O OG . SER A 117 ? 0.7176 0.4489 0.5851 -0.0332 -0.0361 -0.0868 996 SER A OG 895 N N . LYS A 118 ? 0.5665 0.2087 0.3547 -0.0093 -0.0063 -0.0484 997 LYS A N 896 C CA . LYS A 118 ? 0.6002 0.2111 0.3563 0.0023 0.0101 -0.0323 997 LYS A CA 897 C C . LYS A 118 ? 0.6709 0.2746 0.4156 -0.0145 0.0159 -0.0386 997 LYS A C 898 O O . LYS A 118 ? 0.6487 0.2909 0.4221 -0.0270 0.0056 -0.0474 997 LYS A O 899 C CB . LYS A 118 ? 0.6064 0.2473 0.3755 0.0260 0.0104 -0.0101 997 LYS A CB 900 C CG . LYS A 118 ? 0.5691 0.1985 0.3120 0.0455 0.0260 0.0123 997 LYS A CG 901 C CD . LYS A 118 ? 0.7670 0.3416 0.4677 0.0698 0.0461 0.0275 997 LYS A CD 902 C CE . LYS A 118 ? 0.7945 0.3578 0.4666 0.0982 0.0647 0.0547 997 LYS A CE 903 N NZ . LYS A 118 ? 0.6537 0.1438 0.2735 0.1226 0.0914 0.0678 997 LYS A NZ 904 N N . GLU A 119 ? 0.6806 0.2289 0.3792 -0.0159 0.0349 -0.0353 998 GLU A N 905 C CA . GLU A 119 ? 0.7131 0.2367 0.3859 -0.0312 0.0470 -0.0386 998 GLU A CA 906 C C . GLU A 119 ? 0.7384 0.3082 0.4371 -0.0251 0.0399 -0.0281 998 GLU A C 907 O O . GLU A 119 ? 0.7565 0.3415 0.4560 0.0012 0.0428 -0.0048 998 GLU A O 908 C CB . GLU A 119 ? 0.8098 0.2536 0.4189 -0.0185 0.0762 -0.0247 998 GLU A CB 909 C CG . GLU A 119 ? 1.1624 0.5621 0.7300 -0.0277 0.0962 -0.0214 998 GLU A CG 910 C CD . GLU A 119 ? 1.5622 0.9779 1.1288 -0.0006 0.1014 0.0058 998 GLU A CD 911 O OE1 . GLU A 119 ? 1.4739 0.8884 1.0320 0.0383 0.1093 0.0334 998 GLU A OE1 912 O OE2 . GLU A 119 ? 1.5391 0.9744 1.1129 -0.0181 0.0978 0.0001 998 GLU A OE2 913 N N . GLY A 120 ? 0.6549 0.2535 0.3748 -0.0501 0.0308 -0.0458 999 GLY A N 914 C CA . GLY A 120 ? 0.6169 0.2596 0.3599 -0.0529 0.0242 -0.0421 999 GLY A CA 915 C C . GLY A 120 ? 0.6281 0.3266 0.4080 -0.0404 0.0111 -0.0333 999 GLY A C 916 O O . GLY A 120 ? 0.6436 0.3767 0.4324 -0.0421 0.0093 -0.0264 999 GLY A O 917 N N . LYS A 121 ? 0.5467 0.2547 0.3443 -0.0310 0.0034 -0.0340 1000 LYS A N 918 C CA . LYS A 121 ? 0.4936 0.2476 0.3196 -0.0239 -0.0058 -0.0277 1000 LYS A CA 919 C C . LYS A 121 ? 0.5472 0.3047 0.3970 -0.0322 -0.0154 -0.0456 1000 LYS A C 920 O O . LYS A 121 ? 0.5416 0.2863 0.3899 -0.0204 -0.0167 -0.0419 1000 LYS A O 921 C CB . LYS A 121 ? 0.4981 0.2535 0.3103 0.0035 0.0004 -0.0027 1000 LYS A CB 922 C CG . LYS A 121 ? 0.4435 0.2145 0.2375 0.0180 0.0094 0.0200 1000 LYS A CG 923 C CD . LYS A 121 ? 0.5684 0.3374 0.3427 0.0527 0.0201 0.0481 1000 LYS A CD 924 C CE . LYS A 121 ? 0.6816 0.4545 0.4286 0.0735 0.0330 0.0735 1000 LYS A CE 925 N NZ . LYS A 121 ? 0.6389 0.4290 0.3711 0.1147 0.0441 0.1061 1000 LYS A NZ 926 N N . PRO A 122 ? 0.5164 0.2890 0.3852 -0.0498 -0.0203 -0.0640 1001 PRO A N 927 C CA . PRO A 122 ? 0.4933 0.2675 0.3808 -0.0515 -0.0264 -0.0782 1001 PRO A CA 928 C C . PRO A 122 ? 0.5372 0.3194 0.4375 -0.0436 -0.0288 -0.0751 1001 PRO A C 929 O O . PRO A 122 ? 0.5649 0.3379 0.4716 -0.0371 -0.0318 -0.0808 1001 PRO A O 930 C CB . PRO A 122 ? 0.5000 0.2919 0.4023 -0.0674 -0.0268 -0.0947 1001 PRO A CB 931 C CG . PRO A 122 ? 0.5689 0.3761 0.4668 -0.0768 -0.0228 -0.0893 1001 PRO A CG 932 C CD . PRO A 122 ? 0.5427 0.3309 0.4142 -0.0663 -0.0184 -0.0715 1001 PRO A CD 933 N N . ARG A 123 ? 0.4601 0.2629 0.3621 -0.0461 -0.0265 -0.0662 1002 ARG A N 934 C CA . ARG A 123 ? 0.4346 0.2459 0.3432 -0.0464 -0.0253 -0.0646 1002 ARG A CA 935 C C . ARG A 123 ? 0.5173 0.3216 0.4166 -0.0295 -0.0258 -0.0493 1002 ARG A C 936 O O . ARG A 123 ? 0.5209 0.3303 0.4227 -0.0299 -0.0241 -0.0471 1002 ARG A O 937 C CB . ARG A 123 ? 0.3729 0.2204 0.2855 -0.0654 -0.0214 -0.0655 1002 ARG A CB 938 C CG . ARG A 123 ? 0.3170 0.1652 0.2363 -0.0840 -0.0177 -0.0836 1002 ARG A CG 939 C CD . ARG A 123 ? 0.2524 0.1430 0.1718 -0.1037 -0.0090 -0.0812 1002 ARG A CD 940 N NE . ARG A 123 ? 0.6331 0.5173 0.5468 -0.1195 -0.0058 -0.0901 1002 ARG A NE 941 C CZ . ARG A 123 ? 0.8743 0.8026 0.7842 -0.1315 -0.0055 -0.0811 1002 ARG A CZ 942 N NH1 . ARG A 123 ? 0.4495 0.4274 0.3605 -0.1290 -0.0116 -0.0665 1002 ARG A NH1 943 N NH2 . ARG A 123 ? 0.7124 0.6393 0.6152 -0.1464 0.0025 -0.0860 1002 ARG A NH2 944 N N . THR A 124 ? 0.5008 0.2870 0.3847 -0.0159 -0.0252 -0.0400 1003 THR A N 945 C CA . THR A 124 ? 0.5132 0.2831 0.3826 0.0031 -0.0223 -0.0260 1003 THR A CA 946 C C . THR A 124 ? 0.6123 0.3428 0.4697 0.0075 -0.0236 -0.0336 1003 THR A C 947 O O . THR A 124 ? 0.6233 0.3401 0.4752 -0.0018 -0.0243 -0.0446 1003 THR A O 948 C CB . THR A 124 ? 0.5335 0.3085 0.3850 0.0177 -0.0144 -0.0066 1003 THR A CB 949 O OG1 . THR A 124 ? 0.6281 0.4542 0.4910 0.0120 -0.0149 0.0011 1003 THR A OG1 950 C CG2 . THR A 124 ? 0.4127 0.1752 0.2498 0.0400 -0.0081 0.0090 1003 THR A CG2 951 N N . ILE A 125 ? 0.5779 0.2955 0.4293 0.0191 -0.0232 -0.0280 1004 ILE A N 952 C CA . ILE A 125 ? 0.5693 0.2563 0.4059 0.0220 -0.0243 -0.0339 1004 ILE A CA 953 C C . ILE A 125 ? 0.6294 0.2917 0.4416 0.0379 -0.0153 -0.0207 1004 ILE A C 954 O O . ILE A 125 ? 0.6214 0.2996 0.4365 0.0502 -0.0110 -0.0062 1004 ILE A O 955 C CB . ILE A 125 ? 0.5819 0.2755 0.4337 0.0209 -0.0328 -0.0424 1004 ILE A CB 956 C CG1 . ILE A 125 ? 0.5804 0.2833 0.4407 0.0270 -0.0313 -0.0342 1004 ILE A CG1 957 C CG2 . ILE A 125 ? 0.5692 0.2792 0.4386 0.0102 -0.0381 -0.0561 1004 ILE A CG2 958 C CD1 . ILE A 125 ? 0.7172 0.4050 0.5720 0.0358 -0.0337 -0.0330 1004 ILE A CD1 959 N N . ILE A 126 ? 0.6055 0.2325 0.3920 0.0358 -0.0112 -0.0266 1005 ILE A N 960 C CA . ILE A 126 ? 0.6206 0.2136 0.3776 0.0494 0.0005 -0.0174 1005 ILE A CA 961 C C . ILE A 126 ? 0.6881 0.2757 0.4427 0.0440 -0.0072 -0.0271 1005 ILE A C 962 O O . ILE A 126 ? 0.7237 0.3147 0.4774 0.0273 -0.0143 -0.0422 1005 ILE A O 963 C CB . ILE A 126 ? 0.6985 0.2429 0.4140 0.0492 0.0187 -0.0160 1005 ILE A CB 964 C CG1 . ILE A 126 ? 0.7080 0.2625 0.4250 0.0614 0.0266 -0.0009 1005 ILE A CG1 965 C CG2 . ILE A 126 ? 0.7128 0.2106 0.3904 0.0626 0.0349 -0.0093 1005 ILE A CG2 966 C CD1 . ILE A 126 ? 0.8741 0.3784 0.5505 0.0573 0.0446 -0.0013 1005 ILE A CD1 967 N N . VAL A 127 ? 0.6250 0.2118 0.3789 0.0581 -0.0059 -0.0174 1006 VAL A N 968 C CA . VAL A 127 ? 0.6202 0.2025 0.3689 0.0568 -0.0121 -0.0225 1006 VAL A CA 969 C C . VAL A 127 ? 0.7492 0.2898 0.4589 0.0621 0.0022 -0.0198 1006 VAL A C 970 O O . VAL A 127 ? 0.7552 0.2815 0.4538 0.0798 0.0158 -0.0057 1006 VAL A O 971 C CB . VAL A 127 ? 0.6275 0.2337 0.3994 0.0660 -0.0187 -0.0147 1006 VAL A CB 972 C CG1 . VAL A 127 ? 0.6309 0.2345 0.3973 0.0656 -0.0265 -0.0191 1006 VAL A CG1 973 C CG2 . VAL A 127 ? 0.5875 0.2239 0.3895 0.0606 -0.0248 -0.0161 1006 VAL A CG2 974 N N . ASN A 128 ? 0.7534 0.2788 0.4409 0.0470 0.0004 -0.0330 1007 ASN A N 975 C CA . ASN A 128 ? 0.7924 0.2723 0.4359 0.0460 0.0162 -0.0347 1007 ASN A CA 976 C C . ASN A 128 ? 0.8298 0.3232 0.4708 0.0415 0.0056 -0.0394 1007 ASN A C 977 O O . ASN A 128 ? 0.8070 0.3412 0.4726 0.0350 -0.0127 -0.0447 1007 ASN A O 978 C CB . ASN A 128 ? 0.8461 0.2889 0.4516 0.0231 0.0290 -0.0495 1007 ASN A CB 979 C CG . ASN A 128 ? 1.3031 0.6776 0.8562 0.0298 0.0576 -0.0455 1007 ASN A CG 980 O OD1 . ASN A 128 ? 1.3604 0.7092 0.9052 0.0512 0.0741 -0.0306 1007 ASN A OD1 981 N ND2 . ASN A 128 ? 1.1996 0.5443 0.7140 0.0144 0.0657 -0.0571 1007 ASN A ND2 982 N N . TRP A 129 ? 0.8239 0.2841 0.4340 0.0482 0.0186 -0.0357 1008 TRP A N 983 C CA . TRP A 129 ? 0.8399 0.3077 0.4388 0.0436 0.0114 -0.0393 1008 TRP A CA 984 C C . TRP A 129 ? 0.9451 0.3585 0.4929 0.0413 0.0336 -0.0421 1008 TRP A C 985 O O . TRP A 129 ? 0.9940 0.3598 0.5145 0.0475 0.0565 -0.0396 1008 TRP A O 986 C CB . TRP A 129 ? 0.7957 0.2956 0.4285 0.0630 -0.0009 -0.0251 1008 TRP A CB 987 C CG . TRP A 129 ? 0.8153 0.3027 0.4523 0.0844 0.0122 -0.0094 1008 TRP A CG 988 C CD1 . TRP A 129 ? 0.8790 0.3447 0.4941 0.0953 0.0247 -0.0024 1008 TRP A CD1 989 C CD2 . TRP A 129 ? 0.7934 0.2963 0.4558 0.0964 0.0159 0.0011 1008 TRP A CD2 990 N NE1 . TRP A 129 ? 0.8627 0.3351 0.4908 0.1153 0.0357 0.0127 1008 TRP A NE1 991 C CE2 . TRP A 129 ? 0.8592 0.3575 0.5161 0.1155 0.0298 0.0153 1008 TRP A CE2 992 C CE3 . TRP A 129 ? 0.7773 0.3027 0.4656 0.0920 0.0091 -0.0002 1008 TRP A CE3 993 C CZ2 . TRP A 129 ? 0.8343 0.3612 0.5137 0.1298 0.0350 0.0292 1008 TRP A CZ2 994 C CZ3 . TRP A 129 ? 0.7768 0.3231 0.4843 0.1045 0.0145 0.0125 1008 TRP A CZ3 995 C CH2 . TRP A 129 ? 0.7947 0.3459 0.4982 0.1230 0.0267 0.0274 1008 TRP A CH2 996 N N . GLN A 130 ? 0.8995 0.3172 0.4302 0.0337 0.0289 -0.0468 1009 GLN A N 997 C CA . GLN A 130 ? 0.9401 0.3077 0.4192 0.0281 0.0498 -0.0521 1009 GLN A CA 998 C C . GLN A 130 ? 0.9819 0.3600 0.4707 0.0492 0.0468 -0.0380 1009 GLN A C 999 O O . GLN A 130 ? 0.9036 0.3290 0.4294 0.0566 0.0256 -0.0303 1009 GLN A O 1000 C CB . GLN A 130 ? 0.9796 0.3484 0.4215 -0.0100 0.0472 -0.0747 1009 GLN A CB 1001 C CG . GLN A 130 ? 1.1125 0.4482 0.5207 -0.0397 0.0620 -0.0930 1009 GLN A CG 1002 C CD . GLN A 130 ? 1.6539 0.9090 1.0262 -0.0258 0.0960 -0.0878 1009 GLN A CD 1003 O OE1 . GLN A 130 ? 1.6307 0.8294 0.9607 -0.0174 0.1206 -0.0857 1009 GLN A OE1 1004 N NE2 . GLN A 130 ? 1.7282 0.9773 1.1161 -0.0192 0.0994 -0.0832 1009 GLN A NE2 1005 N N . PRO A 131 ? 1.0012 0.3324 0.4540 0.0596 0.0706 -0.0342 1010 PRO A N 1006 C CA . PRO A 131 ? 0.9845 0.3289 0.4462 0.0773 0.0687 -0.0216 1010 PRO A CA 1007 C C . PRO A 131 ? 1.0566 0.4279 0.5112 0.0598 0.0505 -0.0290 1010 PRO A C 1008 O O . PRO A 131 ? 1.0995 0.4691 0.5259 0.0320 0.0474 -0.0463 1010 PRO A O 1009 C CB . PRO A 131 ? 1.0532 0.3384 0.4702 0.0896 0.1012 -0.0192 1010 PRO A CB 1010 C CG . PRO A 131 ? 1.1455 0.3854 0.5370 0.0875 0.1213 -0.0246 1010 PRO A CG 1011 C CD . PRO A 131 ? 1.0813 0.3406 0.4791 0.0565 0.1034 -0.0411 1010 PRO A CD 1012 N N . PRO A 132 ? 0.9790 0.3778 0.4549 0.0737 0.0394 -0.0162 1011 PRO A N 1013 C CA . PRO A 132 ? 0.9826 0.4071 0.4474 0.0618 0.0234 -0.0195 1011 PRO A CA 1014 C C . PRO A 132 ? 1.0830 0.4760 0.4923 0.0430 0.0372 -0.0326 1011 PRO A C 1015 O O . PRO A 132 ? 1.1084 0.4507 0.4881 0.0468 0.0629 -0.0349 1011 PRO A O 1016 C CB . PRO A 132 ? 0.9774 0.4194 0.4673 0.0828 0.0172 -0.0013 1011 PRO A CB 1017 C CG . PRO A 132 ? 1.0175 0.4404 0.5196 0.1000 0.0351 0.0080 1011 PRO A CG 1018 C CD . PRO A 132 ? 0.9654 0.3758 0.4723 0.0983 0.0425 0.0018 1011 PRO A CD 1019 N N . SER A 133 ? 1.0704 0.4956 0.4632 0.0231 0.0218 -0.0407 1012 SER A N 1020 C CA . SER A 133 ? 1.1230 0.5268 0.4594 -0.0017 0.0331 -0.0554 1012 SER A CA 1021 C C . SER A 133 ? 1.1729 0.5503 0.4953 0.0162 0.0455 -0.0438 1012 SER A C 1022 O O . SER A 133 ? 1.2273 0.5504 0.5071 0.0104 0.0721 -0.0523 1012 SER A O 1023 C CB . SER A 133 ? 1.1637 0.6301 0.4924 -0.0241 0.0095 -0.0625 1012 SER A CB 1024 O OG . SER A 133 ? 1.2609 0.7591 0.6002 -0.0444 -0.0004 -0.0753 1012 SER A OG 1025 N N . GLU A 134 ? 1.0526 0.4625 0.4084 0.0389 0.0300 -0.0243 1013 GLU A N 1026 C CA . GLU A 134 ? 1.0383 0.4303 0.3854 0.0549 0.0405 -0.0121 1013 GLU A CA 1027 C C . GLU A 134 ? 1.0128 0.3932 0.3958 0.0808 0.0512 0.0022 1013 GLU A C 1028 O O . GLU A 134 ? 0.9348 0.3368 0.3459 0.0949 0.0424 0.0172 1013 GLU A O 1029 C CB . GLU A 134 ? 1.0461 0.4764 0.3952 0.0591 0.0208 0.0001 1013 GLU A CB 1030 C CG . GLU A 134 ? 1.2094 0.6709 0.5254 0.0354 0.0077 -0.0106 1013 GLU A CG 1031 C CD . GLU A 134 ? 1.5423 1.0618 0.8736 0.0460 -0.0183 0.0046 1013 GLU A CD 1032 O OE1 . GLU A 134 ? 1.4413 0.9579 0.7880 0.0704 -0.0205 0.0248 1013 GLU A OE1 1033 O OE2 . GLU A 134 ? 1.6330 1.2015 0.9576 0.0300 -0.0343 -0.0031 1013 GLU A OE2 1034 N N . ALA A 135 ? 1.0054 0.3524 0.3830 0.0861 0.0722 -0.0023 1014 ALA A N 1035 C CA . ALA A 135 ? 0.9726 0.3205 0.3811 0.1108 0.0841 0.0117 1014 ALA A CA 1036 C C . ALA A 135 ? 1.0781 0.4244 0.4802 0.1241 0.0967 0.0227 1014 ALA A C 1037 O O . ALA A 135 ? 1.0635 0.4381 0.4996 0.1374 0.0952 0.0362 1014 ALA A O 1038 C CB . ALA A 135 ? 0.9952 0.3068 0.3892 0.1179 0.1065 0.0071 1014 ALA A CB 1039 N N . ASN A 136 ? 1.0801 0.3950 0.4357 0.1167 0.1103 0.0154 1015 ASN A N 1040 C CA . ASN A 136 ? 1.0915 0.4009 0.4318 0.1256 0.1240 0.0230 1015 ASN A CA 1041 C C . ASN A 136 ? 1.1558 0.4672 0.5120 0.1523 0.1472 0.0355 1015 ASN A C 1042 O O . ASN A 136 ? 1.1503 0.4728 0.5058 0.1607 0.1565 0.0442 1015 ASN A O 1043 C CB . ASN A 136 ? 1.0171 0.3600 0.3731 0.1208 0.1031 0.0324 1015 ASN A CB 1044 C CG . ASN A 136 ? 1.2217 0.5775 0.5661 0.1030 0.0794 0.0262 1015 ASN A CG 1045 O OD1 . ASN A 136 ? 1.2260 0.5677 0.5359 0.0853 0.0796 0.0113 1015 ASN A OD1 1046 N ND2 . ASN A 136 ? 1.0514 0.4358 0.4207 0.1071 0.0609 0.0381 1015 ASN A ND2 1047 N N . GLY A 137 ? 1.1257 0.4323 0.4957 0.1663 0.1569 0.0376 1016 GLY A N 1048 C CA . GLY A 137 ? 1.1238 0.4450 0.5099 0.1965 0.1789 0.0527 1016 GLY A CA 1049 C C . GLY A 137 ? 1.1550 0.4736 0.5550 0.2118 0.1854 0.0566 1016 GLY A C 1050 O O . GLY A 137 ? 1.1585 0.4593 0.5549 0.1953 0.1729 0.0455 1016 GLY A O 1051 N N . LYS A 138 ? 1.1011 0.4428 0.5161 0.2444 0.2053 0.0737 1017 LYS A N 1052 C CA . LYS A 138 ? 1.0893 0.4352 0.5176 0.2647 0.2127 0.0825 1017 LYS A CA 1053 C C . LYS A 138 ? 1.0779 0.4899 0.5614 0.2507 0.1823 0.0858 1017 LYS A C 1054 O O . LYS A 138 ? 1.0295 0.5012 0.5459 0.2492 0.1740 0.0944 1017 LYS A O 1055 C CB . LYS A 138 ? 1.1216 0.4833 0.5481 0.3094 0.2442 0.1038 1017 LYS A CB 1056 C CG . LYS A 138 ? 1.1838 0.5506 0.6186 0.3376 0.2552 0.1177 1017 LYS A CG 1057 C CD . LYS A 138 ? 1.4334 0.8243 0.8640 0.3885 0.2883 0.1428 1017 LYS A CD 1058 C CE . LYS A 138 ? 1.4895 0.8998 0.9297 0.4257 0.3009 0.1638 1017 LYS A CE 1059 N NZ . LYS A 138 ? 1.5482 0.9916 0.9843 0.4813 0.3339 0.1918 1017 LYS A NZ 1060 N N . ILE A 139 ? 1.0373 0.4331 0.5251 0.2344 0.1667 0.0756 1018 ILE A N 1061 C CA . ILE A 139 ? 0.9760 0.4207 0.5092 0.2195 0.1400 0.0755 1018 ILE A CA 1062 C C . ILE A 139 ? 0.9784 0.4796 0.5448 0.2426 0.1468 0.0937 1018 ILE A C 1063 O O . ILE A 139 ? 0.9995 0.4846 0.5524 0.2683 0.1655 0.1030 1018 ILE A O 1064 C CB . ILE A 139 ? 1.0146 0.4275 0.5400 0.1996 0.1262 0.0604 1018 ILE A CB 1065 C CG1 . ILE A 139 ? 1.0332 0.4128 0.5306 0.1731 0.1149 0.0427 1018 ILE A CG1 1066 C CG2 . ILE A 139 ? 0.9749 0.4362 0.5460 0.1909 0.1047 0.0624 1018 ILE A CG2 1067 C CD1 . ILE A 139 ? 1.0330 0.4442 0.5490 0.1594 0.0943 0.0428 1018 ILE A CD1 1068 N N . THR A 140 ? 0.8764 0.4436 0.4813 0.2330 0.1337 0.0994 1019 THR A N 1069 C CA . THR A 140 ? 0.8628 0.5048 0.5019 0.2481 0.1379 0.1159 1019 THR A CA 1070 C C . THR A 140 ? 0.9381 0.6130 0.6090 0.2317 0.1188 0.1127 1019 THR A C 1071 O O . THR A 140 ? 0.9027 0.6461 0.6017 0.2393 0.1196 0.1249 1019 THR A O 1072 C CB . THR A 140 ? 0.8244 0.5241 0.4783 0.2465 0.1436 0.1240 1019 THR A CB 1073 O OG1 . THR A 140 ? 0.7827 0.4792 0.4428 0.2117 0.1269 0.1116 1019 THR A OG1 1074 C CG2 . THR A 140 ? 0.8043 0.4786 0.4278 0.2714 0.1676 0.1307 1019 THR A CG2 1075 N N . GLY A 141 ? 0.9249 0.5556 0.5895 0.2097 0.1026 0.0966 1020 GLY A N 1076 C CA . GLY A 141 ? 0.8812 0.5311 0.5710 0.1929 0.0855 0.0906 1020 GLY A CA 1077 C C . GLY A 141 ? 0.8556 0.4740 0.5438 0.1666 0.0671 0.0742 1020 GLY A C 1078 O O . GLY A 141 ? 0.8436 0.4299 0.5115 0.1609 0.0658 0.0686 1020 GLY A O 1079 N N . TYR A 142 ? 0.7822 0.4122 0.4905 0.1535 0.0539 0.0680 1021 TYR A N 1080 C CA . TYR A 142 ? 0.7758 0.3859 0.4874 0.1338 0.0377 0.0552 1021 TYR A CA 1081 C C . TYR A 142 ? 0.7686 0.4158 0.5078 0.1176 0.0314 0.0540 1021 TYR A C 1082 O O . TYR A 142 ? 0.7547 0.4473 0.5111 0.1185 0.0367 0.0611 1021 TYR A O 1083 C CB . TYR A 142 ? 0.8042 0.3837 0.5067 0.1324 0.0307 0.0453 1021 TYR A CB 1084 C CG . TYR A 142 ? 0.8867 0.4228 0.5536 0.1399 0.0397 0.0419 1021 TYR A CG 1085 C CD1 . TYR A 142 ? 0.9475 0.4672 0.5966 0.1572 0.0581 0.0488 1021 TYR A CD1 1086 C CD2 . TYR A 142 ? 0.9120 0.4226 0.5585 0.1296 0.0322 0.0322 1021 TYR A CD2 1087 C CE1 . TYR A 142 ? 1.0133 0.4813 0.6205 0.1607 0.0720 0.0435 1021 TYR A CE1 1088 C CE2 . TYR A 142 ? 0.9658 0.4370 0.5738 0.1294 0.0424 0.0259 1021 TYR A CE2 1089 C CZ . TYR A 142 ? 1.1112 0.5556 0.6976 0.1430 0.0638 0.0301 1021 TYR A CZ 1090 O OH . TYR A 142 ? 1.2044 0.5984 0.7445 0.1394 0.0791 0.0216 1021 TYR A OH 1091 N N . ILE A 143 ? 0.6993 0.3285 0.4396 0.1033 0.0220 0.0456 1022 ILE A N 1092 C CA . ILE A 143 ? 0.6733 0.3211 0.4311 0.0853 0.0197 0.0411 1022 ILE A CA 1093 C C . ILE A 143 ? 0.7017 0.3246 0.4617 0.0838 0.0085 0.0318 1022 ILE A C 1094 O O . ILE A 143 ? 0.7127 0.3058 0.4583 0.0895 0.0030 0.0299 1022 ILE A O 1095 C CB . ILE A 143 ? 0.7346 0.3800 0.4848 0.0694 0.0276 0.0415 1022 ILE A CB 1096 C CG1 . ILE A 143 ? 0.7516 0.4307 0.4998 0.0694 0.0392 0.0504 1022 ILE A CG1 1097 C CG2 . ILE A 143 ? 0.7334 0.3888 0.4941 0.0462 0.0299 0.0337 1022 ILE A CG2 1098 C CD1 . ILE A 143 ? 0.9114 0.5813 0.6449 0.0520 0.0490 0.0501 1022 ILE A CD1 1099 N N . ILE A 144 ? 0.6337 0.2760 0.4117 0.0771 0.0051 0.0272 1023 ILE A N 1100 C CA . ILE A 144 ? 0.6166 0.2445 0.4006 0.0748 -0.0040 0.0181 1023 ILE A CA 1101 C C . ILE A 144 ? 0.6865 0.3099 0.4746 0.0600 0.0007 0.0134 1023 ILE A C 1102 O O . ILE A 144 ? 0.6740 0.3208 0.4681 0.0435 0.0090 0.0131 1023 ILE A O 1103 C CB . ILE A 144 ? 0.6189 0.2637 0.4152 0.0755 -0.0081 0.0149 1023 ILE A CB 1104 C CG1 . ILE A 144 ? 0.6345 0.2665 0.4151 0.0889 -0.0063 0.0186 1023 ILE A CG1 1105 C CG2 . ILE A 144 ? 0.5986 0.2366 0.4039 0.0703 -0.0165 0.0043 1023 ILE A CG2 1106 C CD1 . ILE A 144 ? 0.6957 0.3393 0.4799 0.0928 -0.0026 0.0210 1023 ILE A CD1 1107 N N . TYR A 145 ? 0.6527 0.2472 0.4339 0.0656 -0.0023 0.0100 1024 TYR A N 1108 C CA . TYR A 145 ? 0.6743 0.2488 0.4514 0.0556 0.0072 0.0054 1024 TYR A CA 1109 C C . TYR A 145 ? 0.7221 0.2972 0.5117 0.0614 0.0005 -0.0017 1024 TYR A C 1110 O O . TYR A 145 ? 0.7314 0.3111 0.5239 0.0772 -0.0112 -0.0007 1024 TYR A O 1111 C CB . TYR A 145 ? 0.7305 0.2630 0.4814 0.0641 0.0159 0.0120 1024 TYR A CB 1112 C CG . TYR A 145 ? 0.7509 0.2803 0.4863 0.0580 0.0234 0.0188 1024 TYR A CG 1113 C CD1 . TYR A 145 ? 0.7652 0.3010 0.4955 0.0727 0.0152 0.0260 1024 TYR A CD1 1114 C CD2 . TYR A 145 ? 0.7657 0.2840 0.4875 0.0348 0.0410 0.0166 1024 TYR A CD2 1115 C CE1 . TYR A 145 ? 0.7694 0.3033 0.4854 0.0682 0.0234 0.0322 1024 TYR A CE1 1116 C CE2 . TYR A 145 ? 0.7707 0.2923 0.4789 0.0272 0.0487 0.0223 1024 TYR A CE2 1117 C CZ . TYR A 145 ? 0.8090 0.3383 0.5156 0.0463 0.0396 0.0310 1024 TYR A CZ 1118 O OH . TYR A 145 ? 0.7759 0.3093 0.4691 0.0401 0.0484 0.0365 1024 TYR A OH 1119 N N . TYR A 146 ? 0.6582 0.2334 0.4540 0.0456 0.0086 -0.0099 1025 TYR A N 1120 C CA . TYR A 146 ? 0.6391 0.2136 0.4457 0.0504 0.0057 -0.0173 1025 TYR A CA 1121 C C . TYR A 146 ? 0.7312 0.2716 0.5248 0.0408 0.0241 -0.0239 1025 TYR A C 1122 O O . TYR A 146 ? 0.7241 0.2527 0.5043 0.0163 0.0392 -0.0282 1025 TYR A O 1123 C CB . TYR A 146 ? 0.5971 0.2099 0.4261 0.0442 -0.0056 -0.0230 1025 TYR A CB 1124 C CG . TYR A 146 ? 0.6078 0.2463 0.4449 0.0205 -0.0002 -0.0273 1025 TYR A CG 1125 C CD1 . TYR A 146 ? 0.6325 0.2996 0.4716 0.0159 -0.0015 -0.0200 1025 TYR A CD1 1126 C CD2 . TYR A 146 ? 0.6089 0.2496 0.4509 0.0040 0.0067 -0.0380 1025 TYR A CD2 1127 C CE1 . TYR A 146 ? 0.6463 0.3531 0.4942 -0.0034 0.0022 -0.0211 1025 TYR A CE1 1128 C CE2 . TYR A 146 ? 0.6024 0.2781 0.4509 -0.0203 0.0103 -0.0418 1025 TYR A CE2 1129 C CZ . TYR A 146 ? 0.6986 0.4120 0.5510 -0.0233 0.0071 -0.0323 1025 TYR A CZ 1130 O OH . TYR A 146 ? 0.7673 0.5304 0.6272 -0.0442 0.0094 -0.0328 1025 TYR A OH 1131 N N . SER A 147 ? 0.6967 0.2216 0.4909 0.0597 0.0251 -0.0247 1026 SER A N 1132 C CA . SER A 147 ? 0.7323 0.2142 0.5090 0.0580 0.0464 -0.0301 1026 SER A CA 1133 C C . SER A 147 ? 0.7875 0.2847 0.5816 0.0744 0.0413 -0.0343 1026 SER A C 1134 O O . SER A 147 ? 0.7372 0.2749 0.5523 0.0901 0.0214 -0.0309 1026 SER A O 1135 C CB . SER A 147 ? 0.8299 0.2569 0.5736 0.0785 0.0620 -0.0184 1026 SER A CB 1136 O OG . SER A 147 ? 1.0630 0.4343 0.7813 0.0813 0.0885 -0.0223 1026 SER A OG 1137 N N . THR A 148 ? 0.7916 0.2563 0.5741 0.0676 0.0617 -0.0433 1027 THR A N 1138 C CA . THR A 148 ? 0.7981 0.2717 0.5935 0.0859 0.0629 -0.0472 1027 THR A CA 1139 C C . THR A 148 ? 0.9106 0.3402 0.6827 0.1259 0.0796 -0.0343 1027 THR A C 1140 O O . THR A 148 ? 0.9344 0.3797 0.7179 0.1524 0.0801 -0.0322 1027 THR A O 1141 C CB . THR A 148 ? 0.9194 0.3884 0.7159 0.0563 0.0754 -0.0647 1027 THR A CB 1142 O OG1 . THR A 148 ? 1.0579 0.4718 0.8190 0.0310 0.1018 -0.0711 1027 THR A OG1 1143 C CG2 . THR A 148 ? 0.7976 0.3259 0.6229 0.0305 0.0546 -0.0723 1027 THR A CG2 1144 N N . ASP A 149 ? 0.8957 0.2738 0.6342 0.1321 0.0942 -0.0239 1028 ASP A N 1145 C CA . ASP A 149 ? 0.9687 0.2965 0.6760 0.1733 0.1127 -0.0062 1028 ASP A CA 1146 C C . ASP A 149 ? 1.0190 0.3681 0.7259 0.1890 0.0943 0.0102 1028 ASP A C 1147 O O . ASP A 149 ? 1.0195 0.3507 0.7125 0.1649 0.0955 0.0092 1028 ASP A O 1148 C CB . ASP A 149 ? 1.0813 0.3127 0.7365 0.1589 0.1531 -0.0104 1028 ASP A CB 1149 C CG . ASP A 149 ? 1.3855 0.5449 0.9967 0.2036 0.1810 0.0093 1028 ASP A CG 1150 O OD1 . ASP A 149 ? 1.4305 0.6180 1.0547 0.2536 0.1741 0.0257 1028 ASP A OD1 1151 O OD2 . ASP A 149 ? 1.5792 0.6552 1.1404 0.1889 0.2122 0.0089 1028 ASP A OD2 1152 N N . VAL A 150 ? 0.9512 0.3472 0.6745 0.2266 0.0770 0.0242 1029 VAL A N 1153 C CA . VAL A 150 ? 0.9215 0.3461 0.6437 0.2415 0.0583 0.0390 1029 VAL A CA 1154 C C . VAL A 150 ? 1.0344 0.3877 0.7101 0.2625 0.0817 0.0567 1029 VAL A C 1155 O O . VAL A 150 ? 1.0352 0.3871 0.6989 0.2592 0.0741 0.0648 1029 VAL A O 1156 C CB . VAL A 150 ? 0.9282 0.4315 0.6777 0.2712 0.0352 0.0472 1029 VAL A CB 1157 C CG1 . VAL A 150 ? 0.9769 0.4716 0.7150 0.3204 0.0518 0.0637 1029 VAL A CG1 1158 C CG2 . VAL A 150 ? 0.9016 0.4454 0.6515 0.2747 0.0131 0.0566 1029 VAL A CG2 1159 N N . ASN A 151 ? 1.0287 0.3150 0.6732 0.2823 0.1139 0.0618 1030 ASN A N 1160 C CA . ASN A 151 ? 1.0907 0.2901 0.6804 0.3041 0.1451 0.0789 1030 ASN A CA 1161 C C . ASN A 151 ? 1.1959 0.3218 0.7509 0.2576 0.1684 0.0654 1030 ASN A C 1162 O O . ASN A 151 ? 1.2722 0.3258 0.7785 0.2671 0.1929 0.0781 1030 ASN A O 1163 C CB . ASN A 151 ? 1.0207 0.1779 0.5870 0.3511 0.1728 0.0923 1030 ASN A CB 1164 C CG . ASN A 151 ? 1.1405 0.3806 0.7355 0.4035 0.1505 0.1124 1030 ASN A CG 1165 O OD1 . ASN A 151 ? 1.1190 0.3966 0.7124 0.4289 0.1336 0.1324 1030 ASN A OD1 1166 N ND2 . ASN A 151 ? 0.9960 0.2731 0.6173 0.4179 0.1501 0.1066 1030 ASN A ND2 1167 N N . ALA A 152 ? 1.1293 0.2811 0.7082 0.2067 0.1600 0.0411 1031 ALA A N 1168 C CA . ALA A 152 ? 1.1530 0.2613 0.7059 0.1560 0.1781 0.0264 1031 ALA A CA 1169 C C . ALA A 152 ? 1.1922 0.3061 0.7352 0.1503 0.1685 0.0366 1031 ALA A C 1170 O O . ALA A 152 ? 1.0916 0.2680 0.6645 0.1687 0.1379 0.0464 1031 ALA A O 1171 C CB . ALA A 152 ? 1.0961 0.2607 0.6863 0.1102 0.1632 0.0028 1031 ALA A CB 1172 N N . GLU A 153 ? 1.2382 0.2838 0.7347 0.1221 0.1975 0.0331 1032 GLU A N 1173 C CA . GLU A 153 ? 1.2390 0.2869 0.7231 0.1119 0.1925 0.0410 1032 GLU A CA 1174 C C . GLU A 153 ? 1.2138 0.3457 0.7429 0.0749 0.1655 0.0268 1032 GLU A C 1175 O O . GLU A 153 ? 1.1750 0.3359 0.7246 0.0430 0.1646 0.0086 1032 GLU A O 1176 C CB . GLU A 153 ? 1.3519 0.3026 0.7703 0.0876 0.2344 0.0394 1032 GLU A CB 1177 C CG . GLU A 153 ? 1.5898 0.4806 0.9649 0.1297 0.2476 0.0656 1032 GLU A CG 1178 C CD . GLU A 153 ? 2.1738 0.9556 1.4750 0.1054 0.2934 0.0648 1032 GLU A CD 1179 O OE1 . GLU A 153 ? 2.0687 0.7593 1.3216 0.1128 0.3315 0.0643 1032 GLU A OE1 1180 O OE2 . GLU A 153 ? 2.2795 1.0631 1.5671 0.0786 0.2941 0.0645 1032 GLU A OE2 1181 N N . ILE A 154 ? 1.1513 0.3220 0.6931 0.0815 0.1454 0.0364 1033 ILE A N 1182 C CA . ILE A 154 ? 1.0797 0.3272 0.6607 0.0579 0.1218 0.0281 1033 ILE A CA 1183 C C . ILE A 154 ? 1.1857 0.4517 0.7688 0.0067 0.1336 0.0105 1033 ILE A C 1184 O O . ILE A 154 ? 1.1279 0.4634 0.7495 -0.0076 0.1156 0.0027 1033 ILE A O 1185 C CB . ILE A 154 ? 1.0876 0.3598 0.6721 0.0760 0.1046 0.0416 1033 ILE A CB 1186 C CG1 . ILE A 154 ? 1.0106 0.3614 0.6402 0.0734 0.0761 0.0369 1033 ILE A CG1 1187 C CG2 . ILE A 154 ? 1.1417 0.3744 0.6881 0.0578 0.1247 0.0459 1033 ILE A CG2 1188 C CD1 . ILE A 154 ? 0.9934 0.3772 0.6498 0.1017 0.0534 0.0390 1033 ILE A CD1 1189 N N . HIS A 155 ? 1.2431 0.4470 0.7809 -0.0213 0.1660 0.0045 1034 HIS A N 1190 C CA . HIS A 155 ? 1.2583 0.4833 0.7911 -0.0764 0.1805 -0.0140 1034 HIS A CA 1191 C C . HIS A 155 ? 1.2753 0.5277 0.8302 -0.0929 0.1781 -0.0295 1034 HIS A C 1192 O O . HIS A 155 ? 1.2655 0.5844 0.8425 -0.1285 0.1721 -0.0413 1034 HIS A O 1193 C CB . HIS A 155 ? 1.3710 0.5162 0.8414 -0.1087 0.2196 -0.0191 1034 HIS A CB 1194 C CG . HIS A 155 ? 1.5137 0.5510 0.9332 -0.0949 0.2510 -0.0181 1034 HIS A CG 1195 N ND1 . HIS A 155 ? 1.5742 0.5826 0.9800 -0.1186 0.2706 -0.0357 1034 HIS A ND1 1196 C CD2 . HIS A 155 ? 1.6117 0.5621 0.9859 -0.0602 0.2698 -0.0007 1034 HIS A CD2 1197 C CE1 . HIS A 155 ? 1.6593 0.5601 1.0120 -0.0948 0.3020 -0.0284 1034 HIS A CE1 1198 N NE2 . HIS A 155 ? 1.6906 0.5541 1.0224 -0.0576 0.3027 -0.0059 1034 HIS A NE2 1199 N N . ASP A 156 ? 1.2173 0.4278 0.7684 -0.0638 0.1812 -0.0277 1035 ASP A N 1200 C CA . ASP A 156 ? 1.1930 0.4214 0.7619 -0.0756 0.1806 -0.0420 1035 ASP A CA 1201 C C . ASP A 156 ? 1.1045 0.4168 0.7315 -0.0555 0.1441 -0.0389 1035 ASP A C 1202 O O . ASP A 156 ? 1.0782 0.4209 0.7248 -0.0701 0.1400 -0.0509 1035 ASP A O 1203 C CB . ASP A 156 ? 1.2996 0.4409 0.8332 -0.0539 0.2064 -0.0418 1035 ASP A CB 1204 C CG . ASP A 156 ? 1.6472 0.6912 1.1130 -0.0824 0.2511 -0.0495 1035 ASP A CG 1205 O OD1 . ASP A 156 ? 1.6851 0.7416 1.1349 -0.1375 0.2636 -0.0646 1035 ASP A OD1 1206 O OD2 . ASP A 156 ? 1.8557 0.8118 1.2814 -0.0500 0.2759 -0.0399 1035 ASP A OD2 1207 N N . TRP A 157 ? 0.9717 0.3162 0.6208 -0.0243 0.1201 -0.0237 1036 TRP A N 1208 C CA . TRP A 157 ? 0.8762 0.2889 0.5706 -0.0073 0.0895 -0.0207 1036 TRP A CA 1209 C C . TRP A 157 ? 0.8889 0.3682 0.6052 -0.0376 0.0815 -0.0266 1036 TRP A C 1210 O O . TRP A 157 ? 0.9232 0.4104 0.6258 -0.0607 0.0914 -0.0268 1036 TRP A O 1211 C CB . TRP A 157 ? 0.8411 0.2593 0.5409 0.0285 0.0722 -0.0049 1036 TRP A CB 1212 C CG . TRP A 157 ? 0.8741 0.2596 0.5652 0.0654 0.0715 0.0038 1036 TRP A CG 1213 C CD1 . TRP A 157 ? 0.9821 0.3015 0.6374 0.0798 0.0940 0.0099 1036 TRP A CD1 1214 C CD2 . TRP A 157 ? 0.8363 0.2583 0.5521 0.0936 0.0489 0.0089 1036 TRP A CD2 1215 N NE1 . TRP A 157 ? 0.9802 0.3018 0.6407 0.1206 0.0852 0.0210 1036 TRP A NE1 1216 C CE2 . TRP A 157 ? 0.9279 0.3169 0.6264 0.1264 0.0565 0.0193 1036 TRP A CE2 1217 C CE3 . TRP A 157 ? 0.7902 0.2683 0.5367 0.0936 0.0257 0.0059 1036 TRP A CE3 1218 C CZ2 . TRP A 157 ? 0.8942 0.3202 0.6106 0.1561 0.0386 0.0258 1036 TRP A CZ2 1219 C CZ3 . TRP A 157 ? 0.7936 0.2962 0.5525 0.1177 0.0101 0.0095 1036 TRP A CZ3 1220 C CH2 . TRP A 157 ? 0.8353 0.3197 0.5821 0.1472 0.0151 0.0188 1036 TRP A CH2 1221 N N . VAL A 158 ? 0.7710 0.3013 0.5198 -0.0362 0.0648 -0.0302 1037 VAL A N 1222 C CA . VAL A 158 ? 0.7069 0.3071 0.4775 -0.0560 0.0568 -0.0314 1037 VAL A CA 1223 C C . VAL A 158 ? 0.7705 0.3992 0.5524 -0.0344 0.0432 -0.0174 1037 VAL A C 1224 O O . VAL A 158 ? 0.7615 0.3811 0.5515 -0.0056 0.0297 -0.0112 1037 VAL A O 1225 C CB . VAL A 158 ? 0.6872 0.3231 0.4821 -0.0588 0.0466 -0.0380 1037 VAL A CB 1226 C CG1 . VAL A 158 ? 0.6547 0.3648 0.4667 -0.0779 0.0418 -0.0364 1037 VAL A CG1 1227 C CG2 . VAL A 158 ? 0.7027 0.3009 0.4838 -0.0749 0.0613 -0.0523 1037 VAL A CG2 1228 N N . ILE A 159 ? 0.7457 0.4103 0.5255 -0.0501 0.0487 -0.0134 1038 ILE A N 1229 C CA . ILE A 159 ? 0.7202 0.4115 0.5074 -0.0294 0.0406 0.0001 1038 ILE A CA 1230 C C . ILE A 159 ? 0.7671 0.5227 0.5801 -0.0210 0.0303 0.0065 1038 ILE A C 1231 O O . ILE A 159 ? 0.7669 0.5780 0.5903 -0.0427 0.0338 0.0043 1038 ILE A O 1232 C CB . ILE A 159 ? 0.7773 0.4758 0.5477 -0.0466 0.0541 0.0030 1038 ILE A CB 1233 C CG1 . ILE A 159 ? 0.8244 0.4484 0.5623 -0.0470 0.0658 0.0013 1038 ILE A CG1 1234 C CG2 . ILE A 159 ? 0.7820 0.5191 0.5624 -0.0259 0.0484 0.0167 1038 ILE A CG2 1235 C CD1 . ILE A 159 ? 0.9244 0.5086 0.6354 -0.0804 0.0870 -0.0113 1038 ILE A CD1 1236 N N . GLU A 160 ? 0.6963 0.4425 0.5147 0.0097 0.0197 0.0146 1039 GLU A N 1237 C CA . GLU A 160 ? 0.6404 0.4268 0.4729 0.0262 0.0144 0.0240 1039 GLU A CA 1238 C C . GLU A 160 ? 0.6970 0.4805 0.5202 0.0502 0.0174 0.0367 1039 GLU A C 1239 O O . GLU A 160 ? 0.7192 0.4574 0.5299 0.0671 0.0136 0.0364 1039 GLU A O 1240 C CB . GLU A 160 ? 0.6372 0.3989 0.4739 0.0370 0.0050 0.0191 1039 GLU A CB 1241 C CG . GLU A 160 ? 0.7460 0.5359 0.5969 0.0207 0.0028 0.0124 1039 GLU A CG 1242 C CD . GLU A 160 ? 1.0316 0.8883 0.8946 0.0188 0.0047 0.0225 1039 GLU A CD 1243 O OE1 . GLU A 160 ? 1.0583 0.9345 0.9196 0.0427 0.0069 0.0382 1039 GLU A OE1 1244 O OE2 . GLU A 160 ? 0.8386 0.7292 0.7102 -0.0055 0.0054 0.0153 1039 GLU A OE2 1245 N N . PRO A 161 ? 0.6536 0.4872 0.4805 0.0500 0.0256 0.0470 1040 PRO A N 1246 C CA . PRO A 161 ? 0.6545 0.4819 0.4704 0.0756 0.0317 0.0592 1040 PRO A CA 1247 C C . PRO A 161 ? 0.7566 0.5811 0.5694 0.1067 0.0334 0.0703 1040 PRO A C 1248 O O . PRO A 161 ? 0.7616 0.6146 0.5856 0.1104 0.0313 0.0744 1040 PRO A O 1249 C CB . PRO A 161 ? 0.6667 0.5589 0.4898 0.0646 0.0413 0.0666 1040 PRO A CB 1250 C CG . PRO A 161 ? 0.7249 0.6572 0.5600 0.0283 0.0404 0.0564 1040 PRO A CG 1251 C CD . PRO A 161 ? 0.6647 0.5700 0.5051 0.0260 0.0308 0.0478 1040 PRO A CD 1252 N N . VAL A 162 ? 0.7532 0.5361 0.5452 0.1281 0.0395 0.0748 1041 VAL A N 1253 C CA . VAL A 162 ? 0.7758 0.5337 0.5511 0.1570 0.0482 0.0841 1041 VAL A CA 1254 C C . VAL A 162 ? 0.8169 0.5856 0.5800 0.1800 0.0639 0.0981 1041 VAL A C 1255 O O . VAL A 162 ? 0.8217 0.5594 0.5700 0.1768 0.0660 0.0931 1041 VAL A O 1256 C CB . VAL A 162 ? 0.8700 0.5543 0.6224 0.1541 0.0435 0.0705 1041 VAL A CB 1257 C CG1 . VAL A 162 ? 0.9089 0.5549 0.6336 0.1776 0.0582 0.0773 1041 VAL A CG1 1258 C CG2 . VAL A 162 ? 0.8541 0.5347 0.6209 0.1328 0.0285 0.0568 1041 VAL A CG2 1259 N N . VAL A 163 ? 0.8044 0.6219 0.5737 0.2048 0.0755 0.1170 1042 VAL A N 1260 C CA . VAL A 163 ? 0.8348 0.6743 0.5953 0.2323 0.0932 0.1333 1042 VAL A CA 1261 C C . VAL A 163 ? 0.9474 0.7131 0.6686 0.2644 0.1121 0.1391 1042 VAL A C 1262 O O . VAL A 163 ? 0.9812 0.7233 0.6879 0.2853 0.1213 0.1474 1042 VAL A O 1263 C CB . VAL A 163 ? 0.8744 0.8209 0.6622 0.2457 0.0983 0.1537 1042 VAL A CB 1264 C CG1 . VAL A 163 ? 0.8841 0.8635 0.6654 0.2771 0.1177 0.1718 1042 VAL A CG1 1265 C CG2 . VAL A 163 ? 0.8388 0.8516 0.6571 0.2026 0.0826 0.1424 1042 VAL A CG2 1266 N N . GLY A 164 ? 0.9365 0.6627 0.6361 0.2659 0.1203 0.1343 1043 GLY A N 1267 C CA . GLY A 164 ? 0.9892 0.6390 0.6438 0.2901 0.1422 0.1360 1043 GLY A CA 1268 C C . GLY A 164 ? 1.0454 0.6118 0.6709 0.2677 0.1359 0.1145 1043 GLY A C 1269 O O . GLY A 164 ? 1.0229 0.5948 0.6670 0.2372 0.1129 0.0997 1043 GLY A O 1270 N N . ASN A 165 ? 1.0465 0.5376 0.6237 0.2821 0.1584 0.1125 1044 ASN A N 1271 C CA . ASN A 165 ? 1.0792 0.4967 0.6228 0.2565 0.1555 0.0906 1044 ASN A CA 1272 C C . ASN A 165 ? 1.1487 0.5439 0.6849 0.2578 0.1587 0.0907 1044 ASN A C 1273 O O . ASN A 165 ? 1.2316 0.5718 0.7270 0.2806 0.1869 0.0987 1044 ASN A O 1274 C CB . ASN A 165 ? 1.2279 0.5704 0.7156 0.2596 0.1794 0.0828 1044 ASN A CB 1275 C CG . ASN A 165 ? 1.7351 1.0483 1.2063 0.2203 0.1634 0.0579 1044 ASN A CG 1276 O OD1 . ASN A 165 ? 1.4595 0.7949 0.9540 0.1928 0.1368 0.0456 1044 ASN A OD1 1277 N ND2 . ASN A 165 ? 1.7760 1.0429 1.2050 0.2186 0.1802 0.0512 1044 ASN A ND2 1278 N N . ARG A 166 ? 1.0003 0.4412 0.5764 0.2365 0.1322 0.0846 1045 ARG A N 1279 C CA . ARG A 166 ? 0.9575 0.3919 0.5372 0.2287 0.1272 0.0813 1045 ARG A CA 1280 C C . ARG A 166 ? 0.9584 0.3826 0.5440 0.1896 0.1045 0.0566 1045 ARG A C 1281 O O . ARG A 166 ? 0.9638 0.4204 0.5736 0.1759 0.0863 0.0509 1045 ARG A O 1282 C CB . ARG A 166 ? 0.8691 0.3827 0.4956 0.2376 0.1149 0.0962 1045 ARG A CB 1283 C CG . ARG A 166 ? 1.0446 0.5868 0.6682 0.2800 0.1362 0.1244 1045 ARG A CG 1284 C CD . ARG A 166 ? 0.9439 0.5815 0.6146 0.2825 0.1218 0.1377 1045 ARG A CD 1285 N NE . ARG A 166 ? 0.8002 0.4491 0.4928 0.2508 0.0999 0.1224 1045 ARG A NE 1286 C CZ . ARG A 166 ? 0.9547 0.6771 0.6888 0.2316 0.0809 0.1206 1045 ARG A CZ 1287 N NH1 . ARG A 166 ? 0.9812 0.7770 0.7391 0.2370 0.0804 0.1323 1045 ARG A NH1 1288 N NH2 . ARG A 166 ? 0.3017 0.1255 0.0655 0.1519 0.0851 0.0490 1045 ARG A NH2 1289 N N . LEU A 167 ? 0.8722 0.2511 0.4316 0.1725 0.1079 0.0428 1046 LEU A N 1290 C CA . LEU A 167 ? 0.8269 0.2053 0.3898 0.1373 0.0879 0.0202 1046 LEU A CA 1291 C C . LEU A 167 ? 0.8510 0.2563 0.4407 0.1227 0.0726 0.0142 1046 LEU A C 1292 O O . LEU A 167 ? 0.8513 0.2625 0.4448 0.0963 0.0576 -0.0033 1046 LEU A O 1293 C CB . LEU A 167 ? 0.8779 0.1899 0.3844 0.1190 0.1040 0.0035 1046 LEU A CB 1294 C CG . LEU A 167 ? 0.9674 0.2492 0.4429 0.1279 0.1191 0.0053 1046 LEU A CG 1295 C CD1 . LEU A 167 ? 1.0450 0.2548 0.4569 0.1054 0.1402 -0.0131 1046 LEU A CD1 1296 C CD2 . LEU A 167 ? 0.9611 0.2914 0.4670 0.1197 0.0948 0.0029 1046 LEU A CD2 1297 N N . THR A 168 ? 0.7775 0.2064 0.3865 0.1408 0.0763 0.0296 1047 THR A N 1298 C CA . THR A 168 ? 0.7465 0.2009 0.3792 0.1296 0.0647 0.0260 1047 THR A CA 1299 C C . THR A 168 ? 0.7938 0.3129 0.4693 0.1430 0.0553 0.0414 1047 THR A C 1300 O O . THR A 168 ? 0.8421 0.3798 0.5188 0.1676 0.0660 0.0596 1047 THR A O 1301 C CB . THR A 168 ? 0.8160 0.2184 0.4098 0.1337 0.0863 0.0280 1047 THR A CB 1302 O OG1 . THR A 168 ? 0.9879 0.3220 0.5300 0.1198 0.1029 0.0141 1047 THR A OG1 1303 C CG2 . THR A 168 ? 0.6964 0.1156 0.3064 0.1168 0.0760 0.0207 1047 THR A CG2 1304 N N . HIS A 169 ? 0.7035 0.2604 0.4119 0.1256 0.0373 0.0336 1048 HIS A N 1305 C CA . HIS A 169 ? 0.6706 0.2884 0.4144 0.1294 0.0300 0.0439 1048 HIS A CA 1306 C C . HIS A 169 ? 0.6376 0.2767 0.4030 0.1101 0.0176 0.0337 1048 HIS A C 1307 O O . HIS A 169 ? 0.6321 0.2599 0.4033 0.0914 0.0066 0.0168 1048 HIS A O 1308 C CB . HIS A 169 ? 0.6818 0.3265 0.4435 0.1254 0.0225 0.0437 1048 HIS A CB 1309 C CG . HIS A 169 ? 0.7125 0.4190 0.5045 0.1198 0.0174 0.0501 1048 HIS A CG 1310 N ND1 . HIS A 169 ? 0.7442 0.4951 0.5411 0.1369 0.0267 0.0686 1048 HIS A ND1 1311 C CD2 . HIS A 169 ? 0.7150 0.4457 0.5297 0.0973 0.0062 0.0395 1048 HIS A CD2 1312 C CE1 . HIS A 169 ? 0.7093 0.5155 0.5319 0.1184 0.0194 0.0666 1048 HIS A CE1 1313 N NE2 . HIS A 169 ? 0.6978 0.4865 0.5290 0.0937 0.0087 0.0486 1048 HIS A NE2 1314 N N . GLN A 170 ? 0.5418 0.2169 0.3188 0.1162 0.0199 0.0450 1049 GLN A N 1315 C CA . GLN A 170 ? 0.5133 0.2110 0.3088 0.0982 0.0105 0.0364 1049 GLN A CA 1316 C C . GLN A 170 ? 0.5614 0.3122 0.3888 0.0818 0.0000 0.0323 1049 GLN A C 1317 O O . GLN A 170 ? 0.5807 0.3741 0.4170 0.0876 0.0029 0.0443 1049 GLN A O 1318 C CB . GLN A 170 ? 0.5497 0.2545 0.3331 0.1130 0.0208 0.0517 1049 GLN A CB 1319 C CG . GLN A 170 ? 0.4174 0.1304 0.2098 0.0944 0.0141 0.0417 1049 GLN A CG 1320 C CD . GLN A 170 ? 0.6138 0.3383 0.3926 0.1113 0.0247 0.0604 1049 GLN A CD 1321 O OE1 . GLN A 170 ? 0.7489 0.4434 0.5113 0.1051 0.0292 0.0560 1049 GLN A OE1 1322 N NE2 . GLN A 170 ? 0.4494 0.2252 0.2352 0.1323 0.0290 0.0825 1049 GLN A NE2 1323 N N . ILE A 171 ? 0.4939 0.2425 0.3354 0.0601 -0.0097 0.0148 1050 ILE A N 1324 C CA . ILE A 171 ? 0.4569 0.2387 0.3192 0.0407 -0.0143 0.0074 1050 ILE A CA 1325 C C . ILE A 171 ? 0.5148 0.3150 0.3874 0.0254 -0.0172 -0.0004 1050 ILE A C 1326 O O . ILE A 171 ? 0.5381 0.3124 0.4091 0.0216 -0.0206 -0.0112 1050 ILE A O 1327 C CB . ILE A 171 ? 0.4826 0.2368 0.3461 0.0335 -0.0176 -0.0045 1050 ILE A CB 1328 C CG1 . ILE A 171 ? 0.4894 0.2249 0.3398 0.0479 -0.0147 0.0035 1050 ILE A CG1 1329 C CG2 . ILE A 171 ? 0.4743 0.2465 0.3485 0.0122 -0.0155 -0.0129 1050 ILE A CG2 1330 C CD1 . ILE A 171 ? 0.4880 0.1907 0.3334 0.0471 -0.0183 -0.0049 1050 ILE A CD1 1331 N N . GLN A 172 ? 0.4626 0.3135 0.3449 0.0147 -0.0157 0.0046 1051 GLN A N 1332 C CA . GLN A 172 ? 0.4507 0.3262 0.3408 -0.0022 -0.0176 -0.0021 1051 GLN A CA 1333 C C . GLN A 172 ? 0.5401 0.4256 0.4392 -0.0319 -0.0165 -0.0194 1051 GLN A C 1334 O O . GLN A 172 ? 0.5783 0.4435 0.4751 -0.0377 -0.0132 -0.0259 1051 GLN A O 1335 C CB . GLN A 172 ? 0.4607 0.3929 0.3504 0.0057 -0.0152 0.0169 1051 GLN A CB 1336 C CG . GLN A 172 ? 0.4064 0.3299 0.2812 0.0401 -0.0092 0.0391 1051 GLN A CG 1337 C CD . GLN A 172 ? 0.6030 0.5981 0.4807 0.0526 -0.0057 0.0615 1051 GLN A CD 1338 O OE1 . GLN A 172 ? 0.5026 0.5238 0.3772 0.0567 -0.0051 0.0709 1051 GLN A OE1 1339 N NE2 . GLN A 172 ? 0.7525 0.7832 0.6340 0.0631 -0.0023 0.0735 1051 GLN A NE2 1340 N N . GLU A 173 ? 0.4939 0.4043 0.3981 -0.0509 -0.0164 -0.0271 1052 GLU A N 1341 C CA . GLU A 173 ? 0.4931 0.4092 0.3987 -0.0827 -0.0107 -0.0453 1052 GLU A CA 1342 C C . GLU A 173 ? 0.5329 0.3884 0.4347 -0.0844 -0.0056 -0.0617 1052 GLU A C 1343 O O . GLU A 173 ? 0.5560 0.3991 0.4498 -0.1063 0.0054 -0.0744 1052 GLU A O 1344 C CB . GLU A 173 ? 0.5220 0.4916 0.4252 -0.1062 -0.0051 -0.0431 1052 GLU A CB 1345 C CG . GLU A 173 ? 0.6422 0.6939 0.5507 -0.1072 -0.0091 -0.0264 1052 GLU A CG 1346 C CD . GLU A 173 ? 1.1297 1.2100 1.0408 -0.1088 -0.0134 -0.0235 1052 GLU A CD 1347 O OE1 . GLU A 173 ? 1.4149 1.4796 1.3248 -0.0783 -0.0178 -0.0090 1052 GLU A OE1 1348 O OE2 . GLU A 173 ? 1.0280 1.1481 0.9378 -0.1421 -0.0106 -0.0348 1052 GLU A OE2 1349 N N . LEU A 174 ? 0.4847 0.3040 0.3888 -0.0616 -0.0114 -0.0610 1053 LEU A N 1350 C CA . LEU A 174 ? 0.4913 0.2662 0.3937 -0.0559 -0.0075 -0.0722 1053 LEU A CA 1351 C C . LEU A 174 ? 0.5358 0.3066 0.4429 -0.0674 -0.0028 -0.0872 1053 LEU A C 1352 O O . LEU A 174 ? 0.5079 0.3070 0.4200 -0.0794 -0.0053 -0.0892 1053 LEU A O 1353 C CB . LEU A 174 ? 0.4792 0.2319 0.3823 -0.0302 -0.0160 -0.0663 1053 LEU A CB 1354 C CG . LEU A 174 ? 0.5266 0.2744 0.4219 -0.0169 -0.0187 -0.0532 1053 LEU A CG 1355 C CD1 . LEU A 174 ? 0.5148 0.2400 0.4068 0.0018 -0.0252 -0.0521 1053 LEU A CD1 1356 C CD2 . LEU A 174 ? 0.5781 0.3166 0.4647 -0.0247 -0.0095 -0.0524 1053 LEU A CD2 1357 N N . THR A 175 ? 0.5219 0.2573 0.4251 -0.0614 0.0058 -0.0961 1054 THR A N 1358 C CA . THR A 175 ? 0.5292 0.2546 0.4347 -0.0669 0.0144 -0.1101 1054 THR A CA 1359 C C . THR A 175 ? 0.5772 0.3095 0.4975 -0.0464 0.0042 -0.1100 1054 THR A C 1360 O O . THR A 175 ? 0.5903 0.3175 0.5127 -0.0255 -0.0039 -0.1021 1054 THR A O 1361 C CB . THR A 175 ? 0.6023 0.2816 0.4895 -0.0676 0.0346 -0.1172 1054 THR A CB 1362 O OG1 . THR A 175 ? 0.6228 0.3017 0.4928 -0.0960 0.0446 -0.1196 1054 THR A OG1 1363 C CG2 . THR A 175 ? 0.5261 0.1869 0.4112 -0.0683 0.0487 -0.1308 1054 THR A CG2 1364 N N . LEU A 176 ? 0.5035 0.2524 0.4323 -0.0559 0.0050 -0.1199 1055 LEU A N 1365 C CA . LEU A 176 ? 0.4605 0.2261 0.4030 -0.0445 -0.0031 -0.1229 1055 LEU A CA 1366 C C . LEU A 176 ? 0.5320 0.2865 0.4795 -0.0222 0.0041 -0.1268 1055 LEU A C 1367 O O . LEU A 176 ? 0.5524 0.2758 0.4893 -0.0174 0.0206 -0.1298 1055 LEU A O 1368 C CB . LEU A 176 ? 0.4357 0.2248 0.3834 -0.0646 -0.0032 -0.1315 1055 LEU A CB 1369 C CG . LEU A 176 ? 0.4670 0.2741 0.4095 -0.0763 -0.0122 -0.1228 1055 LEU A CG 1370 C CD1 . LEU A 176 ? 0.4706 0.2949 0.4170 -0.0857 -0.0146 -0.1290 1055 LEU A CD1 1371 C CD2 . LEU A 176 ? 0.4852 0.2849 0.4221 -0.0615 -0.0214 -0.1098 1055 LEU A CD2 1372 N N . ASP A 177 ? 0.4918 0.2725 0.4518 -0.0085 -0.0062 -0.1260 1056 ASP A N 1373 C CA . ASP A 177 ? 0.5090 0.3003 0.4778 0.0182 -0.0024 -0.1259 1056 ASP A CA 1374 C C . ASP A 177 ? 0.5983 0.3536 0.5536 0.0428 0.0071 -0.1154 1056 ASP A C 1375 O O . ASP A 177 ? 0.6439 0.3787 0.5940 0.0628 0.0242 -0.1155 1056 ASP A O 1376 C CB . ASP A 177 ? 0.5307 0.3332 0.5088 0.0166 0.0099 -0.1380 1056 ASP A CB 1377 C CG . ASP A 177 ? 0.7014 0.5409 0.6954 0.0442 0.0104 -0.1372 1056 ASP A CG 1378 O OD1 . ASP A 177 ? 0.6951 0.5743 0.6981 0.0510 -0.0054 -0.1321 1056 ASP A OD1 1379 O OD2 . ASP A 177 ? 0.8474 0.6797 0.8430 0.0585 0.0280 -0.1419 1056 ASP A OD2 1380 N N . THR A 178 ? 0.5338 0.2757 0.4791 0.0424 -0.0011 -0.1055 1057 THR A N 1381 C CA . THR A 178 ? 0.5587 0.2610 0.4862 0.0613 0.0089 -0.0952 1057 THR A CA 1382 C C . THR A 178 ? 0.6227 0.3369 0.5484 0.0757 -0.0056 -0.0830 1057 THR A C 1383 O O . THR A 178 ? 0.6211 0.3462 0.5470 0.0592 -0.0181 -0.0823 1057 THR A O 1384 C CB . THR A 178 ? 0.6187 0.2813 0.5276 0.0368 0.0213 -0.0983 1057 THR A CB 1385 O OG1 . THR A 178 ? 0.6631 0.3099 0.5670 0.0219 0.0386 -0.1112 1057 THR A OG1 1386 C CG2 . THR A 178 ? 0.5707 0.1887 0.4562 0.0483 0.0324 -0.0886 1057 THR A CG2 1387 N N . PRO A 179 ? 0.6076 0.3163 0.5270 0.1079 -0.0019 -0.0717 1058 PRO A N 1388 C CA . PRO A 179 ? 0.5946 0.3115 0.5071 0.1194 -0.0144 -0.0598 1058 PRO A CA 1389 C C . PRO A 179 ? 0.6618 0.3293 0.5528 0.1095 -0.0071 -0.0543 1058 PRO A C 1390 O O . PRO A 179 ? 0.7087 0.3285 0.5817 0.1117 0.0125 -0.0531 1058 PRO A O 1391 C CB . PRO A 179 ? 0.6348 0.3633 0.5450 0.1598 -0.0097 -0.0471 1058 PRO A CB 1392 C CG . PRO A 179 ? 0.7091 0.4385 0.6274 0.1709 0.0052 -0.0529 1058 PRO A CG 1393 C CD . PRO A 179 ? 0.6593 0.3496 0.5724 0.1384 0.0166 -0.0671 1058 PRO A CD 1394 N N . TYR A 180 ? 0.5822 0.2605 0.4723 0.0957 -0.0202 -0.0526 1059 TYR A N 1395 C CA . TYR A 180 ? 0.5886 0.2367 0.4622 0.0870 -0.0165 -0.0465 1059 TYR A CA 1396 C C . TYR A 180 ? 0.6937 0.3493 0.5586 0.1049 -0.0267 -0.0354 1059 TYR A C 1397 O O . TYR A 180 ? 0.6904 0.3839 0.5640 0.1110 -0.0399 -0.0365 1059 TYR A O 1398 C CB . TYR A 180 ? 0.5700 0.2307 0.4492 0.0606 -0.0217 -0.0518 1059 TYR A CB 1399 C CG . TYR A 180 ? 0.5804 0.2338 0.4611 0.0391 -0.0103 -0.0596 1059 TYR A CG 1400 C CD1 . TYR A 180 ? 0.5807 0.2532 0.4749 0.0283 -0.0106 -0.0700 1059 TYR A CD1 1401 C CD2 . TYR A 180 ? 0.6170 0.2509 0.4840 0.0254 0.0008 -0.0576 1059 TYR A CD2 1402 C CE1 . TYR A 180 ? 0.6047 0.2752 0.4976 0.0056 -0.0001 -0.0780 1059 TYR A CE1 1403 C CE2 . TYR A 180 ? 0.6604 0.2969 0.5259 -0.0003 0.0115 -0.0666 1059 TYR A CE2 1404 C CZ . TYR A 180 ? 0.7283 0.3827 0.6063 -0.0098 0.0108 -0.0767 1059 TYR A CZ 1405 O OH . TYR A 180 ? 0.6922 0.3537 0.5661 -0.0382 0.0213 -0.0863 1059 TYR A OH 1406 N N . TYR A 181 ? 0.6800 0.3022 0.5252 0.1099 -0.0196 -0.0259 1060 TYR A N 1407 C CA . TYR A 181 ? 0.6638 0.2879 0.4959 0.1260 -0.0270 -0.0145 1060 TYR A CA 1408 C C . TYR A 181 ? 0.6877 0.3009 0.5103 0.1103 -0.0286 -0.0128 1060 TYR A C 1409 O O . TYR A 181 ? 0.6665 0.2613 0.4864 0.0943 -0.0185 -0.0150 1060 TYR A O 1410 C CB . TYR A 181 ? 0.7133 0.3048 0.5263 0.1529 -0.0140 -0.0018 1060 TYR A CB 1411 C CG . TYR A 181 ? 0.7394 0.3473 0.5618 0.1762 -0.0106 -0.0007 1060 TYR A CG 1412 C CD1 . TYR A 181 ? 0.7613 0.3414 0.5842 0.1728 0.0070 -0.0080 1060 TYR A CD1 1413 C CD2 . TYR A 181 ? 0.7388 0.3978 0.5698 0.1997 -0.0244 0.0067 1060 TYR A CD2 1414 C CE1 . TYR A 181 ? 0.7603 0.3582 0.5930 0.1964 0.0119 -0.0070 1060 TYR A CE1 1415 C CE2 . TYR A 181 ? 0.7494 0.4374 0.5929 0.2235 -0.0213 0.0090 1060 TYR A CE2 1416 C CZ . TYR A 181 ? 0.7917 0.4460 0.6362 0.2243 -0.0024 0.0027 1060 TYR A CZ 1417 O OH . TYR A 181 ? 0.7479 0.4314 0.6041 0.2515 0.0029 0.0059 1060 TYR A OH 1418 N N . PHE A 182 ? 0.6454 0.2750 0.4619 0.1132 -0.0401 -0.0096 1061 PHE A N 1419 C CA . PHE A 182 ? 0.6273 0.2470 0.4335 0.1020 -0.0395 -0.0076 1061 PHE A CA 1420 C C . PHE A 182 ? 0.7568 0.3666 0.5421 0.1127 -0.0416 0.0017 1061 PHE A C 1421 O O . PHE A 182 ? 0.7947 0.4247 0.5741 0.1203 -0.0518 0.0024 1061 PHE A O 1422 C CB . PHE A 182 ? 0.6109 0.2488 0.4239 0.0875 -0.0453 -0.0162 1061 PHE A CB 1423 C CG . PHE A 182 ? 0.6095 0.2574 0.4408 0.0758 -0.0426 -0.0238 1061 PHE A CG 1424 C CD1 . PHE A 182 ? 0.6335 0.3012 0.4781 0.0752 -0.0476 -0.0320 1061 PHE A CD1 1425 C CD2 . PHE A 182 ? 0.6311 0.2756 0.4661 0.0654 -0.0346 -0.0222 1061 PHE A CD2 1426 C CE1 . PHE A 182 ? 0.6348 0.3104 0.4942 0.0634 -0.0443 -0.0393 1061 PHE A CE1 1427 C CE2 . PHE A 182 ? 0.6483 0.3066 0.4981 0.0534 -0.0323 -0.0287 1061 PHE A CE2 1428 C CZ . PHE A 182 ? 0.6124 0.2819 0.4732 0.0522 -0.0369 -0.0376 1061 PHE A CZ 1429 N N . LYS A 183 ? 0.7172 0.3020 0.4903 0.1099 -0.0318 0.0082 1062 LYS A N 1430 C CA . LYS A 183 ? 0.7109 0.2835 0.4621 0.1173 -0.0317 0.0169 1062 LYS A CA 1431 C C . LYS A 183 ? 0.7330 0.3044 0.4816 0.1054 -0.0268 0.0161 1062 LYS A C 1432 O O . LYS A 183 ? 0.7307 0.3057 0.4904 0.0946 -0.0191 0.0145 1062 LYS A O 1433 C CB . LYS A 183 ? 0.7639 0.3040 0.4973 0.1277 -0.0204 0.0277 1062 LYS A CB 1434 C CG . LYS A 183 ? 0.7645 0.3005 0.4927 0.1507 -0.0213 0.0347 1062 LYS A CG 1435 C CD . LYS A 183 ? 0.8237 0.3169 0.5228 0.1651 -0.0073 0.0488 1062 LYS A CD 1436 C CE . LYS A 183 ? 0.9424 0.3982 0.6331 0.1754 0.0104 0.0519 1062 LYS A CE 1437 N NZ . LYS A 183 ? 0.7424 0.1509 0.3964 0.1998 0.0257 0.0697 1062 LYS A NZ 1438 N N . ILE A 184 ? 0.6738 0.2446 0.4064 0.1078 -0.0300 0.0172 1063 ILE A N 1439 C CA . ILE A 184 ? 0.6631 0.2294 0.3888 0.1035 -0.0217 0.0190 1063 ILE A CA 1440 C C . ILE A 184 ? 0.7682 0.3185 0.4701 0.1095 -0.0177 0.0265 1063 ILE A C 1441 O O . ILE A 184 ? 0.7695 0.3166 0.4561 0.1153 -0.0251 0.0277 1063 ILE A O 1442 C CB . ILE A 184 ? 0.6883 0.2572 0.4101 0.0994 -0.0220 0.0118 1063 ILE A CB 1443 C CG1 . ILE A 184 ? 0.6796 0.2635 0.4207 0.0926 -0.0277 0.0037 1063 ILE A CG1 1444 C CG2 . ILE A 184 ? 0.6902 0.2542 0.4061 0.1031 -0.0084 0.0179 1063 ILE A CG2 1445 C CD1 . ILE A 184 ? 0.9568 0.5342 0.6878 0.0863 -0.0246 -0.0035 1063 ILE A CD1 1446 N N . GLN A 185 ? 0.7521 0.2997 0.4509 0.1081 -0.0061 0.0322 1064 GLN A N 1447 C CA . GLN A 185 ? 0.7751 0.3085 0.4508 0.1124 0.0001 0.0386 1064 GLN A CA 1448 C C . GLN A 185 ? 0.8595 0.3981 0.5312 0.1150 0.0117 0.0410 1064 GLN A C 1449 O O . GLN A 185 ? 0.8572 0.4170 0.5473 0.1143 0.0172 0.0425 1064 GLN A O 1450 C CB . GLN A 185 ? 0.8030 0.3245 0.4723 0.1104 0.0060 0.0459 1064 GLN A CB 1451 C CG . GLN A 185 ? 0.8772 0.4115 0.5596 0.0976 0.0180 0.0472 1064 GLN A CG 1452 C CD . GLN A 185 ? 1.0634 0.5740 0.7261 0.0911 0.0287 0.0530 1064 GLN A CD 1453 O OE1 . GLN A 185 ? 1.0081 0.5213 0.6743 0.0737 0.0398 0.0512 1064 GLN A OE1 1454 N NE2 . GLN A 185 ? 0.8328 0.3188 0.4698 0.1018 0.0274 0.0595 1064 GLN A NE2 1455 N N . ALA A 186 ? 0.8370 0.3583 0.4825 0.1200 0.0164 0.0422 1065 ALA A N 1456 C CA . ALA A 186 ? 0.8375 0.3560 0.4721 0.1282 0.0317 0.0458 1065 ALA A CA 1457 C C . ALA A 186 ? 0.8886 0.4196 0.5228 0.1303 0.0429 0.0553 1065 ALA A C 1458 O O . ALA A 186 ? 0.8864 0.4114 0.5141 0.1235 0.0402 0.0577 1065 ALA A O 1459 C CB . ALA A 186 ? 0.8756 0.3627 0.4755 0.1291 0.0347 0.0390 1065 ALA A CB 1460 N N . ARG A 187 ? 0.8498 0.3991 0.4882 0.1411 0.0574 0.0620 1066 ARG A N 1461 C CA . ARG A 187 ? 0.8592 0.4329 0.4987 0.1435 0.0702 0.0710 1066 ARG A CA 1462 C C . ARG A 187 ? 0.9491 0.5108 0.5670 0.1635 0.0877 0.0760 1066 ARG A C 1463 O O . ARG A 187 ? 0.9947 0.5406 0.6047 0.1778 0.0945 0.0758 1066 ARG A O 1464 C CB . ARG A 187 ? 0.8703 0.5013 0.5424 0.1388 0.0733 0.0771 1066 ARG A CB 1465 C CG . ARG A 187 ? 1.0903 0.7594 0.7658 0.1319 0.0853 0.0841 1066 ARG A CG 1466 C CD . ARG A 187 ? 1.2851 1.0270 0.9877 0.1370 0.0935 0.0934 1066 ARG A CD 1467 N NE . ARG A 187 ? 1.4084 1.1828 1.1349 0.1152 0.0844 0.0884 1066 ARG A NE 1468 C CZ . ARG A 187 ? 1.6844 1.4877 1.4177 0.0845 0.0864 0.0839 1066 ARG A CZ 1469 N NH1 . ARG A 187 ? 1.5861 1.3915 1.3053 0.0723 0.0966 0.0847 1066 ARG A NH1 1470 N NH2 . ARG A 187 ? 1.5234 1.3498 1.2729 0.0628 0.0805 0.0772 1066 ARG A NH2 1471 N N . ASN A 188 ? 0.8967 0.4622 0.5018 0.1649 0.0983 0.0809 1067 ASN A N 1472 C CA . ASN A 188 ? 0.9202 0.4798 0.5054 0.1862 0.1196 0.0874 1067 ASN A CA 1473 C C . ASN A 188 ? 1.0056 0.6141 0.6035 0.1842 0.1295 0.0967 1067 ASN A C 1474 O O . ASN A 188 ? 0.9940 0.6277 0.6088 0.1616 0.1200 0.0953 1067 ASN A O 1475 C CB . ASN A 188 ? 0.8858 0.3835 0.4273 0.1863 0.1240 0.0784 1067 ASN A CB 1476 C CG . ASN A 188 ? 0.9888 0.4723 0.5125 0.1703 0.1171 0.0750 1067 ASN A CG 1477 O OD1 . ASN A 188 ? 0.9176 0.4286 0.4521 0.1640 0.1188 0.0814 1067 ASN A OD1 1478 N ND2 . ASN A 188 ? 0.9235 0.3647 0.4147 0.1623 0.1116 0.0650 1067 ASN A ND2 1479 N N . SER A 189 ? 0.9888 0.6099 0.5760 0.2066 0.1511 0.1058 1068 SER A N 1480 C CA . SER A 189 ? 0.9770 0.6554 0.5769 0.2046 0.1625 0.1147 1068 SER A CA 1481 C C . SER A 189 ? 0.9772 0.6450 0.5675 0.1735 0.1552 0.1082 1068 SER A C 1482 O O . SER A 189 ? 0.9647 0.6855 0.5714 0.1579 0.1599 0.1120 1068 SER A O 1483 C CB . SER A 189 ? 1.0922 0.7721 0.6737 0.2368 0.1887 0.1244 1068 SER A CB 1484 O OG . SER A 189 ? 1.3566 0.9776 0.8984 0.2334 0.1958 0.1171 1068 SER A OG 1485 N N . LYS A 190 ? 0.9172 0.5194 0.4777 0.1643 0.1455 0.0993 1069 LYS A N 1486 C CA . LYS A 190 ? 0.9042 0.4850 0.4465 0.1421 0.1408 0.0967 1069 LYS A CA 1487 C C . LYS A 190 ? 0.9754 0.5502 0.5288 0.1192 0.1251 0.0931 1069 LYS A C 1488 O O . LYS A 190 ? 0.9961 0.5591 0.5354 0.1011 0.1276 0.0941 1069 LYS A O 1489 C CB . LYS A 190 ? 0.9316 0.4557 0.4321 0.1466 0.1413 0.0924 1069 LYS A CB 1490 C CG . LYS A 190 ? 0.8618 0.3864 0.3413 0.1622 0.1641 0.0958 1069 LYS A CG 1491 C CD . LYS A 190 ? 0.8791 0.4181 0.3472 0.1499 0.1747 0.1005 1069 LYS A CD 1492 C CE . LYS A 190 ? 1.0281 0.5663 0.4738 0.1667 0.1986 0.1032 1069 LYS A CE 1493 N NZ . LYS A 190 ? 1.0390 0.5317 0.4403 0.1567 0.2011 0.0994 1069 LYS A NZ 1494 N N . GLY A 191 ? 0.9283 0.5085 0.5038 0.1205 0.1128 0.0895 1070 GLY A N 1495 C CA . GLY A 191 ? 0.9128 0.4853 0.4986 0.1021 0.1011 0.0856 1070 GLY A CA 1496 C C . GLY A 191 ? 0.9621 0.5145 0.5564 0.1090 0.0845 0.0799 1070 GLY A C 1497 O O . GLY A 191 ? 0.9434 0.4979 0.5423 0.1244 0.0829 0.0782 1070 GLY A O 1498 N N . MET A 192 ? 0.9467 0.4773 0.5405 0.0975 0.0751 0.0772 1071 MET A N 1499 C CA . MET A 192 ? 0.9355 0.4530 0.5394 0.1026 0.0594 0.0718 1071 MET A CA 1500 C C . MET A 192 ? 0.9911 0.4740 0.5700 0.1118 0.0487 0.0721 1071 MET A C 1501 O O . MET A 192 ? 1.0399 0.5002 0.5938 0.1111 0.0520 0.0781 1071 MET A O 1502 C CB . MET A 192 ? 0.9666 0.4833 0.5837 0.0880 0.0581 0.0692 1071 MET A CB 1503 C CG . MET A 192 ? 1.0194 0.5772 0.6576 0.0700 0.0684 0.0674 1071 MET A CG 1504 S SD . MET A 192 ? 1.0693 0.6848 0.7422 0.0782 0.0655 0.0666 1071 MET A SD 1505 C CE . MET A 192 ? 1.0158 0.6043 0.6949 0.0926 0.0477 0.0604 1071 MET A CE 1506 N N . GLY A 193 ? 0.9008 0.3839 0.4854 0.1186 0.0362 0.0660 1072 GLY A N 1507 C CA . GLY A 193 ? 0.8965 0.3645 0.4604 0.1244 0.0238 0.0654 1072 GLY A CA 1508 C C . GLY A 193 ? 0.9073 0.3761 0.4824 0.1277 0.0121 0.0663 1072 GLY A C 1509 O O . GLY A 193 ? 0.8869 0.3570 0.4815 0.1232 0.0159 0.0663 1072 GLY A O 1510 N N . PRO A 194 ? 0.8606 0.3323 0.4213 0.1356 -0.0010 0.0677 1073 PRO A N 1511 C CA . PRO A 194 ? 0.8492 0.3286 0.4213 0.1450 -0.0111 0.0708 1073 PRO A CA 1512 C C . PRO A 194 ? 0.8987 0.3973 0.5020 0.1394 -0.0169 0.0597 1073 PRO A C 1513 O O . PRO A 194 ? 0.9121 0.4195 0.5231 0.1296 -0.0162 0.0495 1073 PRO A O 1514 C CB . PRO A 194 ? 0.8787 0.3767 0.4300 0.1542 -0.0247 0.0747 1073 PRO A CB 1515 C CG . PRO A 194 ? 0.9340 0.4359 0.4691 0.1410 -0.0239 0.0649 1073 PRO A CG 1516 C CD . PRO A 194 ? 0.8822 0.3583 0.4153 0.1355 -0.0066 0.0657 1073 PRO A CD 1517 N N . MET A 195 ? 0.8595 0.3600 0.4762 0.1474 -0.0201 0.0626 1074 MET A N 1518 C CA . MET A 195 ? 0.8412 0.3602 0.4863 0.1424 -0.0254 0.0526 1074 MET A CA 1519 C C . MET A 195 ? 0.9030 0.4550 0.5518 0.1475 -0.0411 0.0483 1074 MET A C 1520 O O . MET A 195 ? 0.9247 0.4898 0.5591 0.1621 -0.0482 0.0576 1074 MET A O 1521 C CB . MET A 195 ? 0.8755 0.3775 0.5316 0.1459 -0.0170 0.0559 1074 MET A CB 1522 C CG . MET A 195 ? 0.9426 0.4229 0.5974 0.1315 -0.0010 0.0557 1074 MET A CG 1523 S SD . MET A 195 ? 1.0206 0.4921 0.6926 0.1225 0.0078 0.0495 1074 MET A SD 1524 C CE . MET A 195 ? 1.0323 0.4641 0.6793 0.1069 0.0313 0.0540 1074 MET A CE 1525 N N . SER A 196 ? 0.8280 0.3985 0.4963 0.1357 -0.0459 0.0353 1075 SER A N 1526 C CA . SER A 196 ? 0.8001 0.4086 0.4747 0.1341 -0.0594 0.0280 1075 SER A CA 1527 C C . SER A 196 ? 0.8613 0.4864 0.5495 0.1549 -0.0636 0.0373 1075 SER A C 1528 O O . SER A 196 ? 0.8577 0.4521 0.5492 0.1656 -0.0525 0.0454 1075 SER A O 1529 C CB . SER A 196 ? 0.7637 0.3768 0.4535 0.1161 -0.0586 0.0131 1075 SER A CB 1530 O OG . SER A 196 ? 0.8326 0.4385 0.5470 0.1188 -0.0536 0.0137 1075 SER A OG 1531 N N . GLU A 197 ? 0.8133 0.4872 0.5053 0.1601 -0.0768 0.0359 1076 GLU A N 1532 C CA . GLU A 197 ? 0.8078 0.5059 0.5145 0.1839 -0.0795 0.0448 1076 GLU A CA 1533 C C . GLU A 197 ? 0.8044 0.4989 0.5380 0.1705 -0.0761 0.0312 1076 GLU A C 1534 O O . GLU A 197 ? 0.7693 0.4721 0.5087 0.1450 -0.0794 0.0154 1076 GLU A O 1535 C CB . GLU A 197 ? 0.8361 0.6069 0.5426 0.1904 -0.0960 0.0464 1076 GLU A CB 1536 C CG . GLU A 197 ? 1.0613 0.8479 0.7451 0.2179 -0.0993 0.0676 1076 GLU A CG 1537 C CD . GLU A 197 ? 1.3763 1.2532 1.0639 0.2298 -0.1161 0.0730 1076 GLU A CD 1538 O OE1 . GLU A 197 ? 1.1165 1.0379 0.8297 0.2346 -0.1206 0.0686 1076 GLU A OE1 1539 O OE2 . GLU A 197 ? 1.3713 1.2811 1.0360 0.2338 -0.1246 0.0820 1076 GLU A OE2 1540 N N . ALA A 198 ? 0.7455 0.4196 0.4899 0.1870 -0.0661 0.0374 1077 ALA A N 1541 C CA . ALA A 198 ? 0.7097 0.3792 0.4772 0.1743 -0.0616 0.0252 1077 ALA A CA 1542 C C . ALA A 198 ? 0.7512 0.4769 0.5375 0.1650 -0.0747 0.0133 1077 ALA A C 1543 O O . ALA A 198 ? 0.7630 0.5387 0.5507 0.1798 -0.0845 0.0186 1077 ALA A O 1544 C CB . ALA A 198 ? 0.7421 0.3790 0.5104 0.1932 -0.0462 0.0329 1077 ALA A CB 1545 N N . VAL A 199 ? 0.6765 0.3980 0.4746 0.1391 -0.0742 -0.0020 1078 VAL A N 1546 C CA . VAL A 199 ? 0.6485 0.4105 0.4603 0.1216 -0.0824 -0.0166 1078 VAL A CA 1547 C C . VAL A 199 ? 0.6818 0.4368 0.5154 0.1234 -0.0753 -0.0206 1078 VAL A C 1548 O O . VAL A 199 ? 0.6706 0.3843 0.5048 0.1191 -0.0645 -0.0199 1078 VAL A O 1549 C CB . VAL A 199 ? 0.6980 0.4442 0.4959 0.0926 -0.0818 -0.0286 1078 VAL A CB 1550 C CG1 . VAL A 199 ? 0.6852 0.4444 0.4944 0.0714 -0.0817 -0.0436 1078 VAL A CG1 1551 C CG2 . VAL A 199 ? 0.7155 0.4795 0.4890 0.0842 -0.0886 -0.0306 1078 VAL A CG2 1552 N N . GLN A 200 ? 0.6409 0.4420 0.4917 0.1278 -0.0807 -0.0254 1079 GLN A N 1553 C CA . GLN A 200 ? 0.6291 0.4249 0.4992 0.1285 -0.0728 -0.0309 1079 GLN A CA 1554 C C . GLN A 200 ? 0.6568 0.4685 0.5373 0.0990 -0.0761 -0.0477 1079 GLN A C 1555 O O . GLN A 200 ? 0.6697 0.5171 0.5466 0.0822 -0.0851 -0.0566 1079 GLN A O 1556 C CB . GLN A 200 ? 0.6564 0.4785 0.5369 0.1612 -0.0694 -0.0215 1079 GLN A CB 1557 C CG . GLN A 200 ? 0.7815 0.6618 0.6852 0.1592 -0.0742 -0.0310 1079 GLN A CG 1558 C CD . GLN A 200 ? 0.9865 0.8668 0.8988 0.1938 -0.0615 -0.0216 1079 GLN A CD 1559 O OE1 . GLN A 200 ? 0.8315 0.6790 0.7497 0.1896 -0.0483 -0.0284 1079 GLN A OE1 1560 N NE2 . GLN A 200 ? 0.9463 0.8639 0.8565 0.2304 -0.0633 -0.0048 1079 GLN A NE2 1561 N N . PHE A 201 ? 0.5584 0.3421 0.4472 0.0901 -0.0669 -0.0526 1080 PHE A N 1562 C CA . PHE A 201 ? 0.5026 0.2970 0.3994 0.0656 -0.0677 -0.0660 1080 PHE A CA 1563 C C . PHE A 201 ? 0.5520 0.3438 0.4659 0.0679 -0.0591 -0.0701 1080 PHE A C 1564 O O . PHE A 201 ? 0.5527 0.3094 0.4637 0.0730 -0.0488 -0.0654 1080 PHE A O 1565 C CB . PHE A 201 ? 0.4971 0.2577 0.3784 0.0478 -0.0645 -0.0665 1080 PHE A CB 1566 C CG . PHE A 201 ? 0.4924 0.2560 0.3742 0.0257 -0.0626 -0.0770 1080 PHE A CG 1567 C CD1 . PHE A 201 ? 0.5461 0.3222 0.4140 0.0076 -0.0655 -0.0866 1080 PHE A CD1 1568 C CD2 . PHE A 201 ? 0.4707 0.2232 0.3618 0.0200 -0.0559 -0.0776 1080 PHE A CD2 1569 C CE1 . PHE A 201 ? 0.5437 0.3133 0.4054 -0.0131 -0.0602 -0.0954 1080 PHE A CE1 1570 C CE2 . PHE A 201 ? 0.4859 0.2401 0.3743 0.0020 -0.0534 -0.0849 1080 PHE A CE2 1571 C CZ . PHE A 201 ? 0.4804 0.2385 0.3530 -0.0131 -0.0546 -0.0929 1080 PHE A CZ 1572 N N . ARG A 202 ? 0.4943 0.3237 0.4232 0.0606 -0.0617 -0.0804 1081 ARG A N 1573 C CA . ARG A 202 ? 0.4947 0.3195 0.4372 0.0599 -0.0520 -0.0862 1081 ARG A CA 1574 C C . ARG A 202 ? 0.5397 0.3574 0.4811 0.0314 -0.0516 -0.0955 1081 ARG A C 1575 O O . ARG A 202 ? 0.5406 0.3795 0.4791 0.0143 -0.0577 -0.1030 1081 ARG A O 1576 C CB . ARG A 202 ? 0.5416 0.4132 0.5021 0.0747 -0.0519 -0.0899 1081 ARG A CB 1577 C CG . ARG A 202 ? 0.7390 0.5896 0.7063 0.0850 -0.0360 -0.0920 1081 ARG A CG 1578 C CD . ARG A 202 ? 0.8662 0.7672 0.8536 0.0907 -0.0347 -0.0999 1081 ARG A CD 1579 N NE . ARG A 202 ? 0.8720 0.7447 0.8611 0.0994 -0.0158 -0.1035 1081 ARG A NE 1580 C CZ . ARG A 202 ? 0.8757 0.7344 0.8613 0.1347 -0.0003 -0.0947 1081 ARG A CZ 1581 N NH1 . ARG A 202 ? 0.5066 0.3843 0.4898 0.1681 -0.0038 -0.0790 1081 ARG A NH1 1582 N NH2 . ARG A 202 ? 0.7810 0.6030 0.7607 0.1377 0.0212 -0.1008 1081 ARG A NH2 1583 N N . THR A 203 ? 0.4861 0.2739 0.4253 0.0246 -0.0427 -0.0947 1082 THR A N 1584 C CA . THR A 203 ? 0.4772 0.2618 0.4143 0.0022 -0.0412 -0.0995 1082 THR A CA 1585 C C . THR A 203 ? 0.5615 0.3737 0.5116 -0.0083 -0.0403 -0.1119 1082 THR A C 1586 O O . THR A 203 ? 0.5475 0.3754 0.5107 0.0038 -0.0364 -0.1164 1082 THR A O 1587 C CB . THR A 203 ? 0.5347 0.2976 0.4681 -0.0034 -0.0324 -0.0959 1082 THR A CB 1588 O OG1 . THR A 203 ? 0.5069 0.2603 0.4451 0.0037 -0.0220 -0.1005 1082 THR A OG1 1589 C CG2 . THR A 203 ? 0.5015 0.2453 0.4220 0.0015 -0.0330 -0.0840 1082 THR A CG2 1590 N N . PRO A 204 ? 0.5513 0.3680 0.4950 -0.0284 -0.0417 -0.1167 1083 PRO A N 1591 C CA . PRO A 204 ? 0.5515 0.3956 0.5056 -0.0413 -0.0401 -0.1293 1083 PRO A CA 1592 C C . PRO A 204 ? 0.5902 0.4357 0.5561 -0.0434 -0.0314 -0.1348 1083 PRO A C 1593 O O . PRO A 204 ? 0.5826 0.4060 0.5452 -0.0407 -0.0254 -0.1302 1083 PRO A O 1594 C CB . PRO A 204 ? 0.5735 0.4073 0.5081 -0.0626 -0.0400 -0.1307 1083 PRO A CB 1595 C CG . PRO A 204 ? 0.6248 0.4257 0.5431 -0.0571 -0.0383 -0.1168 1083 PRO A CG 1596 C CD . PRO A 204 ? 0.5699 0.3644 0.4929 -0.0378 -0.0418 -0.1095 1083 PRO A CD 1597 N N . GLY A 205 ? 0.5382 0.4126 0.5164 -0.0496 -0.0292 -0.1463 1084 GLY A N 1598 C CA . GLY A 205 ? 0.5372 0.4144 0.5242 -0.0541 -0.0188 -0.1547 1084 GLY A CA 1599 C C . GLY A 205 ? 0.6235 0.5068 0.6039 -0.0805 -0.0186 -0.1605 1084 GLY A C 1600 O O . GLY A 205 ? 0.6212 0.5079 0.5908 -0.0923 -0.0241 -0.1599 1084 GLY A O 1601 N N . THR A 206 ? 0.6224 0.5014 0.6031 -0.0912 -0.0099 -0.1659 1085 THR A N 1602 C CA . THR A 206 ? 0.6278 0.5132 0.6002 -0.1147 -0.0082 -0.1697 1085 THR A CA 1603 C C . THR A 206 ? 0.6875 0.6023 0.6727 -0.1228 -0.0036 -0.1848 1085 THR A C 1604 O O . THR A 206 ? 0.6610 0.5889 0.6623 -0.1084 0.0028 -0.1920 1085 THR A O 1605 C CB . THR A 206 ? 0.8147 0.6888 0.7782 -0.1252 -0.0026 -0.1665 1085 THR A CB 1606 O OG1 . THR A 206 ? 0.9633 0.8509 0.9203 -0.1459 0.0002 -0.1711 1085 THR A OG1 1607 C CG2 . THR A 206 ? 0.7800 0.6433 0.7488 -0.1206 0.0093 -0.1749 1085 THR A CG2 1608 N N . LYS A 207 ? 0.6962 0.6199 0.6713 -0.1440 -0.0044 -0.1884 1086 LYS A N 1609 C CA . LYS A 207 ? 0.7097 0.6663 0.6951 -0.1569 0.0005 -0.2035 1086 LYS A CA 1610 C C . LYS A 207 ? 0.8193 0.7811 0.8056 -0.1713 0.0104 -0.2125 1086 LYS A C 1611 O O . LYS A 207 ? 0.8634 0.8456 0.8680 -0.1633 0.0187 -0.2235 1086 LYS A O 1612 C CB . LYS A 207 ? 0.7354 0.7044 0.7092 -0.1751 -0.0028 -0.2078 1086 LYS A CB 1613 C CG . LYS A 207 ? 0.8747 0.8994 0.8708 -0.1763 -0.0023 -0.2224 1086 LYS A CG 1614 C CD . LYS A 207 ? 0.9731 1.0283 0.9791 -0.1927 0.0073 -0.2369 1086 LYS A CD 1615 C CE . LYS A 207 ? 1.0547 1.1773 1.0895 -0.1846 0.0088 -0.2486 1086 LYS A CE 1616 N NZ . LYS A 207 ? 1.0548 1.2053 1.1012 -0.1949 0.0204 -0.2618 1086 LYS A NZ 1617 N N . HIS A 208 ? 0.7495 0.6953 0.7146 -0.1901 0.0114 -0.2069 1087 HIS A N 1618 C CA . HIS A 208 ? 0.8706 0.8249 0.8319 -0.2083 0.0203 -0.2150 1087 HIS A CA 1619 C C . HIS A 208 ? 1.1068 1.0832 1.0675 -0.2278 0.0253 -0.2274 1087 HIS A C 1620 O O . HIS A 208 ? 0.6790 0.6566 0.6260 -0.2473 0.0309 -0.2296 1087 HIS A O 1621 C CB . HIS A 208 ? 0.8772 0.8333 0.8518 -0.2018 0.0304 -0.2253 1087 HIS A CB 1622 C CG . HIS A 208 ? 0.9192 0.8518 0.8900 -0.1895 0.0295 -0.2166 1087 HIS A CG 1623 N ND1 . HIS A 208 ? 0.9455 0.8722 0.8997 -0.2041 0.0296 -0.2100 1087 HIS A ND1 1624 C CD2 . HIS A 208 ? 0.9381 0.8565 0.9179 -0.1660 0.0297 -0.2138 1087 HIS A CD2 1625 C CE1 . HIS A 208 ? 0.9363 0.8450 0.8901 -0.1924 0.0300 -0.2051 1087 HIS A CE1 1626 N NE2 . HIS A 208 ? 0.9396 0.8372 0.9069 -0.1687 0.0308 -0.2068 1087 HIS A NE2 1627 N N . PRO B 5 ? 1.3486 1.0347 2.1615 -0.0213 -0.6304 -0.7387 884 PRO B N 1628 C CA . PRO B 5 ? 1.3474 0.9813 2.2007 -0.0440 -0.6069 -0.7205 884 PRO B CA 1629 C C . PRO B 5 ? 1.3620 0.9957 2.2260 -0.0618 -0.5603 -0.6582 884 PRO B C 1630 O O . PRO B 5 ? 1.3646 0.9593 2.2726 -0.0861 -0.5420 -0.6379 884 PRO B O 1631 C CB . PRO B 5 ? 1.4037 1.0282 2.3584 -0.0744 -0.6373 -0.7526 884 PRO B CB 1632 C CG . PRO B 5 ? 1.4606 1.1426 2.4412 -0.0739 -0.6676 -0.7739 884 PRO B CG 1633 C CD . PRO B 5 ? 1.4063 1.1154 2.2851 -0.0333 -0.6747 -0.7820 884 PRO B CD 1634 N N . MET B 6 ? 1.2793 0.9542 2.1016 -0.0494 -0.5422 -0.6282 885 MET B N 1635 C CA . MET B 6 ? 1.2281 0.9129 2.0594 -0.0648 -0.5003 -0.5728 885 MET B CA 1636 C C . MET B 6 ? 1.3049 0.9657 2.0636 -0.0505 -0.4625 -0.5346 885 MET B C 1637 O O . MET B 6 ? 1.2875 0.9541 1.9657 -0.0192 -0.4628 -0.5393 885 MET B O 1638 C CB . MET B 6 ? 1.2198 0.9641 2.0720 -0.0661 -0.5022 -0.5619 885 MET B CB 1639 C CG . MET B 6 ? 1.2842 1.0648 2.1063 -0.0393 -0.5430 -0.6009 885 MET B CG 1640 S SD . MET B 6 ? 1.3030 1.1529 2.1645 -0.0399 -0.5542 -0.5942 885 MET B SD 1641 C CE . MET B 6 ? 1.3126 1.1864 2.1334 -0.0089 -0.6106 -0.6473 885 MET B CE 1642 N N . MET B 7 ? 1.2952 0.9317 2.0833 -0.0749 -0.4297 -0.4952 886 MET B N 1643 C CA . MET B 7 ? 1.2926 0.9085 2.0209 -0.0653 -0.3936 -0.4560 886 MET B CA 1644 C C . MET B 7 ? 1.2621 0.9199 1.9570 -0.0577 -0.3704 -0.4233 886 MET B C 1645 O O . MET B 7 ? 1.2282 0.9205 1.9740 -0.0750 -0.3686 -0.4153 886 MET B O 1646 C CB . MET B 7 ? 1.3429 0.9126 2.1076 -0.0919 -0.3712 -0.4275 886 MET B CB 1647 C CG . MET B 7 ? 1.4012 0.9810 2.2480 -0.1314 -0.3599 -0.4055 886 MET B CG 1648 S SD . MET B 7 ? 1.4668 0.9975 2.3337 -0.1607 -0.3250 -0.3563 886 MET B SD 1649 C CE . MET B 7 ? 1.4879 0.9630 2.4122 -0.1745 -0.3560 -0.3893 886 MET B CE 1650 N N . PRO B 8 ? 1.1845 0.8424 1.7974 -0.0312 -0.3541 -0.4073 887 PRO B N 1651 C CA . PRO B 8 ? 1.1353 0.8308 1.7173 -0.0223 -0.3362 -0.3803 887 PRO B CA 1652 C C . PRO B 8 ? 1.1378 0.8318 1.7397 -0.0442 -0.2984 -0.3352 887 PRO B C 1653 O O . PRO B 8 ? 1.1610 0.8191 1.7800 -0.0619 -0.2826 -0.3189 887 PRO B O 1654 C CB . PRO B 8 ? 1.1546 0.8458 1.6446 0.0113 -0.3333 -0.3807 887 PRO B CB 1655 C CG . PRO B 8 ? 1.2505 0.9072 1.7250 0.0209 -0.3497 -0.4113 887 PRO B CG 1656 C CD . PRO B 8 ? 1.2122 0.8385 1.7605 -0.0081 -0.3518 -0.4147 887 PRO B CD 1657 N N . PRO B 9 ? 1.0154 0.7458 1.6112 -0.0421 -0.2831 -0.3139 888 PRO B N 1658 C CA . PRO B 9 ? 0.9649 0.6946 1.5729 -0.0617 -0.2454 -0.2728 888 PRO B CA 1659 C C . PRO B 9 ? 0.9619 0.6564 1.5092 -0.0541 -0.2207 -0.2462 888 PRO B C 1660 O O . PRO B 9 ? 0.9482 0.6301 1.4347 -0.0286 -0.2276 -0.2549 888 PRO B O 1661 C CB . PRO B 9 ? 0.9583 0.7346 1.5654 -0.0534 -0.2394 -0.2641 888 PRO B CB 1662 C CG . PRO B 9 ? 1.0343 0.8377 1.6538 -0.0376 -0.2780 -0.3010 888 PRO B CG 1663 C CD . PRO B 9 ? 1.0185 0.7908 1.5962 -0.0214 -0.2999 -0.3261 888 PRO B CD 1664 N N . VAL B 10 ? 0.8883 0.5670 1.4557 -0.0780 -0.1929 -0.2147 889 VAL B N 1665 C CA . VAL B 10 ? 0.8660 0.5115 1.3864 -0.0754 -0.1698 -0.1866 889 VAL B CA 1666 C C . VAL B 10 ? 0.8749 0.5376 1.3788 -0.0832 -0.1362 -0.1497 889 VAL B C 1667 O O . VAL B 10 ? 0.8770 0.5758 1.4121 -0.0918 -0.1300 -0.1475 889 VAL B O 1668 C CB . VAL B 10 ? 0.9263 0.5261 1.4764 -0.0941 -0.1717 -0.1836 889 VAL B CB 1669 C CG1 . VAL B 10 ? 0.9538 0.5358 1.5182 -0.0835 -0.2059 -0.2247 889 VAL B CG1 1670 C CG2 . VAL B 10 ? 0.9239 0.5250 1.5383 -0.1309 -0.1576 -0.1639 889 VAL B CG2 1671 N N . GLY B 11 ? 0.7752 0.4140 1.2317 -0.0789 -0.1160 -0.1239 890 GLY B N 1672 C CA . GLY B 11 ? 0.7320 0.3831 1.1677 -0.0858 -0.0850 -0.0908 890 GLY B CA 1673 C C . GLY B 11 ? 0.7541 0.4480 1.1834 -0.0745 -0.0813 -0.0939 890 GLY B C 1674 O O . GLY B 11 ? 0.7473 0.4646 1.2042 -0.0905 -0.0623 -0.0797 890 GLY B O 1675 N N . VAL B 12 ? 0.6794 0.3838 1.0731 -0.0463 -0.0999 -0.1132 891 VAL B N 1676 C CA . VAL B 12 ? 0.6394 0.3796 1.0219 -0.0312 -0.1008 -0.1157 891 VAL B CA 1677 C C . VAL B 12 ? 0.6851 0.4228 1.0219 -0.0268 -0.0725 -0.0861 891 VAL B C 1678 O O . VAL B 12 ? 0.7041 0.4157 0.9930 -0.0187 -0.0654 -0.0745 891 VAL B O 1679 C CB . VAL B 12 ? 0.6723 0.4217 1.0264 -0.0037 -0.1305 -0.1423 891 VAL B CB 1680 C CG1 . VAL B 12 ? 0.6381 0.4232 0.9903 0.0101 -0.1347 -0.1432 891 VAL B CG1 1681 C CG2 . VAL B 12 ? 0.7016 0.4481 1.0958 -0.0080 -0.1599 -0.1743 891 VAL B CG2 1682 N N . GLN B 13 ? 0.6025 0.3677 0.9591 -0.0336 -0.0559 -0.0750 892 GLN B N 1683 C CA . GLN B 13 ? 0.5740 0.3390 0.8927 -0.0305 -0.0299 -0.0502 892 GLN B CA 1684 C C . GLN B 13 ? 0.6137 0.4109 0.9362 -0.0172 -0.0294 -0.0534 892 GLN B C 1685 O O . GLN B 13 ? 0.6161 0.4429 0.9888 -0.0197 -0.0402 -0.0692 892 GLN B O 1686 C CB . GLN B 13 ? 0.5875 0.3453 0.9230 -0.0574 -0.0013 -0.0273 892 GLN B CB 1687 C CG . GLN B 13 ? 0.8126 0.5321 1.1342 -0.0691 0.0015 -0.0156 892 GLN B CG 1688 C CD . GLN B 13 ? 0.9317 0.6458 1.2626 -0.0948 0.0293 0.0104 892 GLN B CD 1689 O OE1 . GLN B 13 ? 0.8204 0.5247 1.1098 -0.0936 0.0475 0.0310 892 GLN B OE1 1690 N NE2 . GLN B 13 ? 0.8952 0.6185 1.2810 -0.1196 0.0337 0.0101 892 GLN B NE2 1691 N N . ALA B 14 ? 0.5571 0.3483 0.8300 -0.0034 -0.0171 -0.0380 893 ALA B N 1692 C CA . ALA B 14 ? 0.5426 0.3574 0.8144 0.0105 -0.0147 -0.0375 893 ALA B CA 1693 C C . ALA B 14 ? 0.6001 0.4192 0.8737 -0.0030 0.0175 -0.0188 893 ALA B C 1694 O O . ALA B 14 ? 0.5987 0.3938 0.8397 -0.0124 0.0351 -0.0007 893 ALA B O 1695 C CB . ALA B 14 ? 0.5496 0.3520 0.7631 0.0361 -0.0261 -0.0346 893 ALA B CB 1696 N N . SER B 15 ? 0.5409 0.3917 0.8531 -0.0030 0.0245 -0.0244 894 SER B N 1697 C CA . SER B 15 ? 0.5274 0.3870 0.8410 -0.0129 0.0549 -0.0114 894 SER B CA 1698 C C . SER B 15 ? 0.5356 0.4082 0.8403 0.0096 0.0520 -0.0148 894 SER B C 1699 O O . SER B 15 ? 0.5345 0.4338 0.8781 0.0210 0.0357 -0.0310 894 SER B O 1700 C CB . SER B 15 ? 0.6097 0.4976 0.9849 -0.0367 0.0709 -0.0160 894 SER B CB 1701 O OG . SER B 15 ? 0.7420 0.6353 1.1074 -0.0474 0.1029 -0.0025 894 SER B OG 1702 N N . ILE B 16 ? 0.4674 0.3202 0.7231 0.0164 0.0656 0.0003 895 ILE B N 1703 C CA . ILE B 16 ? 0.4443 0.3023 0.6892 0.0382 0.0615 -0.0012 895 ILE B CA 1704 C C . ILE B 16 ? 0.5047 0.3904 0.7894 0.0330 0.0821 -0.0070 895 ILE B C 1705 O O . ILE B 16 ? 0.4867 0.3679 0.7578 0.0190 0.1096 0.0027 895 ILE B O 1706 C CB . ILE B 16 ? 0.4570 0.2823 0.6364 0.0505 0.0623 0.0148 895 ILE B CB 1707 C CG1 . ILE B 16 ? 0.4288 0.2282 0.5677 0.0505 0.0504 0.0217 895 ILE B CG1 1708 C CG2 . ILE B 16 ? 0.4804 0.3076 0.6525 0.0752 0.0487 0.0127 895 ILE B CG2 1709 C CD1 . ILE B 16 ? 0.2903 0.0954 0.4392 0.0606 0.0222 0.0079 895 ILE B CD1 1710 N N . LEU B 17 ? 0.4673 0.3835 0.8015 0.0451 0.0680 -0.0242 896 LEU B N 1711 C CA . LEU B 17 ? 0.4633 0.4129 0.8461 0.0436 0.0856 -0.0347 896 LEU B CA 1712 C C . LEU B 17 ? 0.5464 0.4904 0.9137 0.0658 0.0867 -0.0345 896 LEU B C 1713 O O . LEU B 17 ? 0.5396 0.4922 0.9132 0.0605 0.1131 -0.0355 896 LEU B O 1714 C CB . LEU B 17 ? 0.4626 0.4528 0.9180 0.0433 0.0710 -0.0549 896 LEU B CB 1715 C CG . LEU B 17 ? 0.5249 0.5243 1.0096 0.0175 0.0732 -0.0573 896 LEU B CG 1716 C CD1 . LEU B 17 ? 0.5276 0.5657 1.0836 0.0201 0.0521 -0.0789 896 LEU B CD1 1717 C CD2 . LEU B 17 ? 0.5555 0.5617 1.0477 -0.0103 0.1106 -0.0482 896 LEU B CD2 1718 N N . SER B 18 ? 0.5251 0.4546 0.8727 0.0905 0.0577 -0.0336 897 SER B N 1719 C CA . SER B 18 ? 0.5322 0.4505 0.8661 0.1129 0.0535 -0.0313 897 SER B CA 1720 C C . SER B 18 ? 0.6161 0.5003 0.8953 0.1308 0.0283 -0.0173 897 SER B C 1721 O O . SER B 18 ? 0.6197 0.4861 0.8615 0.1237 0.0215 -0.0084 897 SER B O 1722 C CB . SER B 18 ? 0.5500 0.5046 0.9499 0.1282 0.0447 -0.0506 897 SER B CB 1723 O OG . SER B 18 ? 0.6783 0.6455 1.1000 0.1415 0.0102 -0.0582 897 SER B OG 1724 N N . HIS B 19 ? 0.5789 0.4536 0.8537 0.1536 0.0157 -0.0150 898 HIS B N 1725 C CA . HIS B 19 ? 0.5931 0.4365 0.8165 0.1706 -0.0071 0.0008 898 HIS B CA 1726 C C . HIS B 19 ? 0.6909 0.5485 0.9270 0.1844 -0.0417 -0.0062 898 HIS B C 1727 O O . HIS B 19 ? 0.7143 0.5498 0.9033 0.1960 -0.0615 0.0066 898 HIS B O 1728 C CB . HIS B 19 ? 0.6097 0.4350 0.8268 0.1886 -0.0082 0.0075 898 HIS B CB 1729 C CG . HIS B 19 ? 0.6516 0.5048 0.9319 0.2055 -0.0192 -0.0099 898 HIS B CG 1730 N ND1 . HIS B 19 ? 0.6604 0.5415 0.9923 0.1978 0.0045 -0.0275 898 HIS B ND1 1731 C CD2 . HIS B 19 ? 0.6782 0.5381 0.9786 0.2292 -0.0516 -0.0126 898 HIS B CD2 1732 C CE1 . HIS B 19 ? 0.6503 0.5549 1.0360 0.2180 -0.0132 -0.0416 898 HIS B CE1 1733 N NE2 . HIS B 19 ? 0.6702 0.5625 1.0398 0.2375 -0.0487 -0.0328 898 HIS B NE2 1734 N N . ASP B 20 ? 0.6552 0.5514 0.9549 0.1828 -0.0493 -0.0267 899 ASP B N 1735 C CA . ASP B 20 ? 0.6695 0.5836 0.9881 0.1954 -0.0848 -0.0372 899 ASP B CA 1736 C C . ASP B 20 ? 0.7269 0.6691 1.0843 0.1773 -0.0869 -0.0544 899 ASP B C 1737 O O . ASP B 20 ? 0.7418 0.6990 1.1141 0.1862 -0.1179 -0.0655 899 ASP B O 1738 C CB . ASP B 20 ? 0.7004 0.6341 1.0647 0.2196 -0.1057 -0.0460 899 ASP B CB 1739 C CG . ASP B 20 ? 0.8363 0.8101 1.2805 0.2146 -0.0893 -0.0661 899 ASP B CG 1740 O OD1 . ASP B 20 ? 0.7852 0.7689 1.2434 0.1907 -0.0564 -0.0702 899 ASP B OD1 1741 O OD2 . ASP B 20 ? 0.9610 0.9572 1.4535 0.2352 -0.1089 -0.0773 899 ASP B OD2 1742 N N . THR B 21 ? 0.6626 0.6107 1.0354 0.1517 -0.0556 -0.0561 900 THR B N 1743 C CA . THR B 21 ? 0.6411 0.6130 1.0560 0.1310 -0.0540 -0.0702 900 THR B CA 1744 C C . THR B 21 ? 0.6592 0.6080 1.0394 0.1070 -0.0334 -0.0599 900 THR B C 1745 O O . THR B 21 ? 0.6365 0.5672 0.9881 0.0969 -0.0051 -0.0458 900 THR B O 1746 C CB . THR B 21 ? 0.7287 0.7428 1.2210 0.1230 -0.0385 -0.0856 900 THR B CB 1747 O OG1 . THR B 21 ? 0.7135 0.7470 1.2381 0.1488 -0.0597 -0.0950 900 THR B OG1 1748 C CG2 . THR B 21 ? 0.7299 0.7728 1.2765 0.1012 -0.0391 -0.1005 900 THR B CG2 1749 N N . ILE B 22 ? 0.6272 0.5768 1.0128 0.0986 -0.0500 -0.0684 901 ILE B N 1750 C CA . ILE B 22 ? 0.6153 0.5436 0.9780 0.0772 -0.0376 -0.0621 901 ILE B CA 1751 C C . ILE B 22 ? 0.6526 0.6056 1.0771 0.0591 -0.0444 -0.0795 901 ILE B C 1752 O O . ILE B 22 ? 0.6319 0.6054 1.0882 0.0691 -0.0739 -0.0976 901 ILE B O 1753 C CB . ILE B 22 ? 0.6615 0.5549 0.9548 0.0880 -0.0529 -0.0538 901 ILE B CB 1754 C CG1 . ILE B 22 ? 0.6682 0.5362 0.9020 0.1017 -0.0427 -0.0336 901 ILE B CG1 1755 C CG2 . ILE B 22 ? 0.6513 0.5250 0.9319 0.0679 -0.0436 -0.0510 901 ILE B CG2 1756 C CD1 . ILE B 22 ? 0.6655 0.5077 0.8337 0.1180 -0.0610 -0.0264 901 ILE B CD1 1757 N N . ARG B 23 ? 0.6218 0.5730 1.0642 0.0318 -0.0179 -0.0732 902 ARG B N 1758 C CA . ARG B 23 ? 0.6275 0.5964 1.1276 0.0096 -0.0207 -0.0857 902 ARG B CA 1759 C C . ARG B 23 ? 0.6832 0.6182 1.1537 -0.0002 -0.0300 -0.0833 902 ARG B C 1760 O O . ARG B 23 ? 0.6627 0.5666 1.0903 -0.0094 -0.0113 -0.0650 902 ARG B O 1761 C CB . ARG B 23 ? 0.6177 0.6091 1.1628 -0.0158 0.0140 -0.0799 902 ARG B CB 1762 C CG . ARG B 23 ? 0.6285 0.6471 1.2480 -0.0391 0.0103 -0.0940 902 ARG B CG 1763 C CD . ARG B 23 ? 0.5916 0.6291 1.2466 -0.0677 0.0483 -0.0839 902 ARG B CD 1764 N NE . ARG B 23 ? 0.7562 0.8415 1.4632 -0.0632 0.0608 -0.0949 902 ARG B NE 1765 C CZ . ARG B 23 ? 0.9348 1.0292 1.6277 -0.0624 0.0917 -0.0857 902 ARG B CZ 1766 N NH1 . ARG B 23 ? 0.8382 0.8973 1.4659 -0.0678 0.1126 -0.0641 902 ARG B NH1 1767 N NH2 . ARG B 23 ? 0.5394 0.6791 1.2848 -0.0556 0.1011 -0.0998 902 ARG B NH2 1768 N N . ILE B 24 ? 0.6513 0.5930 1.1462 0.0036 -0.0610 -0.1038 903 ILE B N 1769 C CA . ILE B 24 ? 0.6658 0.5790 1.1434 -0.0032 -0.0750 -0.1091 903 ILE B CA 1770 C C . ILE B 24 ? 0.7528 0.6746 1.2943 -0.0332 -0.0689 -0.1153 903 ILE B C 1771 O O . ILE B 24 ? 0.7598 0.7182 1.3669 -0.0412 -0.0736 -0.1289 903 ILE B O 1772 C CB . ILE B 24 ? 0.7144 0.6267 1.1711 0.0205 -0.1136 -0.1294 903 ILE B CB 1773 C CG1 . ILE B 24 ? 0.7047 0.6107 1.1001 0.0489 -0.1182 -0.1195 903 ILE B CG1 1774 C CG2 . ILE B 24 ? 0.7446 0.6266 1.1820 0.0155 -0.1280 -0.1392 903 ILE B CG2 1775 C CD1 . ILE B 24 ? 0.7110 0.5840 1.0421 0.0503 -0.0936 -0.0947 903 ILE B CD1 1776 N N . THR B 25 ? 0.7163 0.6047 1.2410 -0.0503 -0.0574 -0.1035 904 THR B N 1777 C CA . THR B 25 ? 0.7253 0.6123 1.3045 -0.0812 -0.0503 -0.1038 904 THR B CA 1778 C C . THR B 25 ? 0.8100 0.6554 1.3665 -0.0836 -0.0656 -0.1077 904 THR B C 1779 O O . THR B 25 ? 0.8192 0.6338 1.3130 -0.0696 -0.0640 -0.0978 904 THR B O 1780 C CB . THR B 25 ? 0.8371 0.7248 1.4215 -0.1045 -0.0108 -0.0771 904 THR B CB 1781 O OG1 . THR B 25 ? 0.8825 0.7361 1.3968 -0.0974 0.0042 -0.0550 904 THR B OG1 1782 C CG2 . THR B 25 ? 0.8080 0.7408 1.4265 -0.1051 0.0069 -0.0775 904 THR B CG2 1783 N N . TRP B 26 ? 0.7867 0.6315 1.3982 -0.1019 -0.0797 -0.1226 905 TRP B N 1784 C CA . TRP B 26 ? 0.8108 0.6160 1.4123 -0.1046 -0.0973 -0.1315 905 TRP B CA 1785 C C . TRP B 26 ? 0.8599 0.6593 1.5311 -0.1384 -0.0962 -0.1330 905 TRP B C 1786 O O . TRP B 26 ? 0.8348 0.6670 1.5644 -0.1588 -0.0842 -0.1306 905 TRP B O 1787 C CB . TRP B 26 ? 0.8134 0.6227 1.3998 -0.0784 -0.1350 -0.1638 905 TRP B CB 1788 C CG . TRP B 26 ? 0.8348 0.6840 1.4854 -0.0817 -0.1571 -0.1895 905 TRP B CG 1789 C CD1 . TRP B 26 ? 0.8942 0.7456 1.6081 -0.0998 -0.1768 -0.2113 905 TRP B CD1 1790 C CD2 . TRP B 26 ? 0.8196 0.7134 1.4860 -0.0691 -0.1604 -0.1945 905 TRP B CD2 1791 N NE1 . TRP B 26 ? 0.8877 0.7850 1.6547 -0.0985 -0.1936 -0.2309 905 TRP B NE1 1792 C CE2 . TRP B 26 ? 0.8814 0.8057 1.6213 -0.0791 -0.1840 -0.2207 905 TRP B CE2 1793 C CE3 . TRP B 26 ? 0.8177 0.7273 1.4450 -0.0492 -0.1480 -0.1805 905 TRP B CE3 1794 C CZ2 . TRP B 26 ? 0.8639 0.8358 1.6391 -0.0681 -0.1964 -0.2333 905 TRP B CZ2 1795 C CZ3 . TRP B 26 ? 0.8311 0.7844 1.4927 -0.0381 -0.1599 -0.1925 905 TRP B CZ3 1796 C CH2 . TRP B 26 ? 0.8505 0.8354 1.5853 -0.0468 -0.1841 -0.2184 905 TRP B CH2 1797 N N . ALA B 27 ? 0.8346 0.5925 1.5019 -0.1435 -0.1097 -0.1385 906 ALA B N 1798 C CA . ALA B 27 ? 0.8500 0.5918 1.5795 -0.1742 -0.1133 -0.1403 906 ALA B CA 1799 C C . ALA B 27 ? 0.9178 0.6527 1.6762 -0.1670 -0.1531 -0.1795 906 ALA B C 1800 O O . ALA B 27 ? 0.9029 0.6364 1.6186 -0.1371 -0.1756 -0.2017 906 ALA B O 1801 C CB . ALA B 27 ? 0.8720 0.5650 1.5759 -0.1875 -0.0961 -0.1119 906 ALA B CB 1802 N N . ASP B 28 ? 0.9062 0.6377 1.7376 -0.1958 -0.1612 -0.1879 907 ASP B N 1803 C CA . ASP B 28 ? 0.9413 0.6624 1.8114 -0.1955 -0.1989 -0.2258 907 ASP B CA 1804 C C . ASP B 28 ? 1.0271 0.6992 1.9322 -0.2232 -0.1981 -0.2168 907 ASP B C 1805 O O . ASP B 28 ? 1.0203 0.6975 1.9849 -0.2577 -0.1823 -0.1994 907 ASP B O 1806 C CB . ASP B 28 ? 0.9590 0.7319 1.8972 -0.2031 -0.2162 -0.2509 907 ASP B CB 1807 C CG . ASP B 28 ? 1.0596 0.8300 2.0231 -0.1935 -0.2612 -0.2967 907 ASP B CG 1808 O OD1 . ASP B 28 ? 1.0734 0.7974 2.0253 -0.1923 -0.2766 -0.3092 907 ASP B OD1 1809 O OD2 . ASP B 28 ? 1.1243 0.9396 2.1194 -0.1861 -0.2821 -0.3213 907 ASP B OD2 1810 N N . ASN B 29 ? 1.0152 0.6399 1.8827 -0.2075 -0.2138 -0.2275 908 ASN B N 1811 C CA . ASN B 29 ? 1.0570 0.6275 1.9521 -0.2283 -0.2166 -0.2197 908 ASN B CA 1812 C C . ASN B 29 ? 1.1437 0.7066 2.1212 -0.2513 -0.2438 -0.2484 908 ASN B C 1813 O O . ASN B 29 ? 1.1681 0.6838 2.1769 -0.2718 -0.2466 -0.2404 908 ASN B O 1814 C CB . ASN B 29 ? 1.0879 0.6122 1.9197 -0.2026 -0.2227 -0.2217 908 ASN B CB 1815 C CG . ASN B 29 ? 1.2619 0.7824 2.0270 -0.1914 -0.1919 -0.1840 908 ASN B CG 1816 O OD1 . ASN B 29 ? 1.1265 0.6677 1.8922 -0.2078 -0.1626 -0.1506 908 ASN B OD1 1817 N ND2 . ASN B 29 ? 1.1697 0.6651 1.8767 -0.1632 -0.1978 -0.1906 908 ASN B ND2 1818 N N . SER B 30 ? 1.1007 0.7092 2.1156 -0.2485 -0.2648 -0.2807 909 SER B N 1819 C CA . SER B 30 ? 1.1298 0.7410 2.2290 -0.2713 -0.2920 -0.3106 909 SER B CA 1820 C C . SER B 30 ? 1.2311 0.8825 2.4048 -0.3085 -0.2705 -0.2895 909 SER B C 1821 O O . SER B 30 ? 1.2551 0.9225 2.5081 -0.3307 -0.2895 -0.3119 909 SER B O 1822 C CB . SER B 30 ? 1.1381 0.7729 2.2323 -0.2444 -0.3328 -0.3624 909 SER B CB 1823 O OG . SER B 30 ? 1.0994 0.7914 2.1702 -0.2251 -0.3305 -0.3653 909 SER B OG 1824 N N . LEU B 31 ? 1.2028 0.8704 2.3505 -0.3159 -0.2297 -0.2467 910 LEU B N 1825 C CA . LEU B 31 ? 1.1988 0.9059 2.4020 -0.3492 -0.1990 -0.2201 910 LEU B CA 1826 C C . LEU B 31 ? 1.2706 0.9392 2.4616 -0.3763 -0.1629 -0.1706 910 LEU B C 1827 O O . LEU B 31 ? 1.2636 0.8960 2.3809 -0.3581 -0.1529 -0.1509 910 LEU B O 1828 C CB . LEU B 31 ? 1.1494 0.9161 2.3238 -0.3298 -0.1805 -0.2145 910 LEU B CB 1829 C CG . LEU B 31 ? 1.1900 1.0091 2.3863 -0.3081 -0.2091 -0.2537 910 LEU B CG 1830 C CD1 . LEU B 31 ? 1.1459 1.0128 2.3099 -0.2899 -0.1862 -0.2399 910 LEU B CD1 1831 C CD2 . LEU B 31 ? 1.2288 1.0799 2.5297 -0.3373 -0.2250 -0.2756 910 LEU B CD2 1832 N N . PRO B 32 ? 1.2307 0.9108 2.4897 -0.4191 -0.1414 -0.1479 911 PRO B N 1833 C CA . PRO B 32 ? 1.2548 0.8994 2.4953 -0.4451 -0.1071 -0.0977 911 PRO B CA 1834 C C . PRO B 32 ? 1.3960 1.0561 2.5604 -0.4303 -0.0715 -0.0651 911 PRO B C 1835 O O . PRO B 32 ? 0.8621 0.5707 2.0035 -0.4076 -0.0655 -0.0769 911 PRO B O 1836 C CB . PRO B 32 ? 1.2946 0.9643 2.6257 -0.4927 -0.0905 -0.0845 911 PRO B CB 1837 C CG . PRO B 32 ? 1.3521 1.0484 2.7565 -0.4934 -0.1265 -0.1319 911 PRO B CG 1838 C CD . PRO B 32 ? 1.2572 0.9829 2.6134 -0.4469 -0.1479 -0.1662 911 PRO B CD 1839 N N . THR B 38 ? 1.4289 1.5241 2.9995 -0.3778 -0.2133 -0.3126 917 THR B N 1840 C CA . THR B 38 ? 1.4442 1.5820 3.1321 -0.4114 -0.2224 -0.3306 917 THR B CA 1841 C C . THR B 38 ? 1.5063 1.6568 3.2320 -0.3966 -0.2807 -0.3807 917 THR B C 1842 O O . THR B 38 ? 1.5095 1.7107 3.3326 -0.4147 -0.2955 -0.4031 917 THR B O 1843 C CB . THR B 38 ? 1.5748 1.6777 3.3075 -0.4597 -0.1989 -0.3058 917 THR B CB 1844 O OG1 . THR B 38 ? 1.5801 1.6076 3.2674 -0.4564 -0.2213 -0.3092 917 THR B OG1 1845 C CG2 . THR B 38 ? 1.5499 1.6565 3.2614 -0.4798 -0.1404 -0.2574 917 THR B CG2 1846 N N . ASP B 39 ? 1.4635 1.5706 3.1110 -0.3634 -0.3131 -0.3986 918 ASP B N 1847 C CA . ASP B 39 ? 1.4812 1.5902 3.1381 -0.3436 -0.3699 -0.4463 918 ASP B CA 1848 C C . ASP B 39 ? 1.4973 1.6638 3.1447 -0.3075 -0.3939 -0.4680 918 ASP B C 1849 O O . ASP B 39 ? 1.4556 1.6694 3.1176 -0.3037 -0.3675 -0.4504 918 ASP B O 1850 C CB . ASP B 39 ? 1.5256 1.5631 3.0937 -0.3224 -0.3889 -0.4539 918 ASP B CB 1851 C CG . ASP B 39 ? 1.6378 1.6114 3.2047 -0.3515 -0.3680 -0.4307 918 ASP B CG 1852 O OD1 . ASP B 39 ? 1.6687 1.6381 3.3217 -0.3897 -0.3716 -0.4359 918 ASP B OD1 1853 O OD2 . ASP B 39 ? 1.6837 1.6107 3.1657 -0.3360 -0.3502 -0.4078 918 ASP B OD2 1854 N N . SER B 40 ? 1.4684 1.6294 3.0907 -0.2807 -0.4449 -0.5069 919 SER B N 1855 C CA . SER B 40 ? 1.4498 1.6555 3.0516 -0.2433 -0.4767 -0.5290 919 SER B CA 1856 C C . SER B 40 ? 1.4646 1.6388 2.9402 -0.2022 -0.4720 -0.5142 919 SER B C 1857 O O . SER B 40 ? 1.4451 1.6495 2.8875 -0.1688 -0.4929 -0.5236 919 SER B O 1858 C CB . SER B 40 ? 1.5322 1.7481 3.1717 -0.2386 -0.5361 -0.5792 919 SER B CB 1859 O OG . SER B 40 ? 1.6651 1.8202 3.2331 -0.2258 -0.5577 -0.5953 919 SER B OG 1860 N N . ARG B 41 ? 1.4118 1.5253 2.8203 -0.2053 -0.4458 -0.4906 920 ARG B N 1861 C CA . ARG B 41 ? 1.3921 1.4692 2.6835 -0.1717 -0.4373 -0.4748 920 ARG B CA 1862 C C . ARG B 41 ? 1.4013 1.5072 2.6477 -0.1474 -0.4145 -0.4489 920 ARG B C 1863 O O . ARG B 41 ? 1.3661 1.5022 2.6568 -0.1635 -0.3811 -0.4258 920 ARG B O 1864 C CB . ARG B 41 ? 1.3697 1.3807 2.6159 -0.1845 -0.4115 -0.4534 920 ARG B CB 1865 C CG . ARG B 41 ? 1.3605 1.3647 2.6310 -0.2146 -0.3599 -0.4108 920 ARG B CG 1866 C CD . ARG B 41 ? 1.2883 1.2265 2.5029 -0.2206 -0.3388 -0.3880 920 ARG B CD 1867 N NE . ARG B 41 ? 1.2551 1.1609 2.5308 -0.2553 -0.3431 -0.3935 920 ARG B NE 1868 C CZ . ARG B 41 ? 1.3484 1.1924 2.5913 -0.2610 -0.3375 -0.3836 920 ARG B CZ 1869 N NH1 . ARG B 41 ? 1.2167 1.0283 2.3673 -0.2344 -0.3270 -0.3694 920 ARG B NH1 1870 N NH2 . ARG B 41 ? 1.0766 0.8908 2.3820 -0.2934 -0.3433 -0.3881 920 ARG B NH2 1871 N N . TYR B 42 ? 1.3589 1.4550 2.5173 -0.1088 -0.4328 -0.4538 921 TYR B N 1872 C CA . TYR B 42 ? 1.3225 1.4367 2.4279 -0.0820 -0.4162 -0.4303 921 TYR B CA 1873 C C . TYR B 42 ? 1.3600 1.4288 2.3509 -0.0558 -0.4085 -0.4151 921 TYR B C 1874 O O . TYR B 42 ? 1.3920 1.4351 2.3343 -0.0404 -0.4370 -0.4368 921 TYR B O 1875 C CB . TYR B 42 ? 1.3372 1.5065 2.4728 -0.0604 -0.4498 -0.4502 921 TYR B CB 1876 C CG . TYR B 42 ? 1.3889 1.5531 2.4691 -0.0292 -0.4989 -0.4785 921 TYR B CG 1877 C CD1 . TYR B 42 ? 1.4476 1.6186 2.5686 -0.0357 -0.5419 -0.5185 921 TYR B CD1 1878 C CD2 . TYR B 42 ? 1.3963 1.5514 2.3844 0.0062 -0.5030 -0.4656 921 TYR B CD2 1879 C CE1 . TYR B 42 ? 1.4868 1.6561 2.5526 -0.0067 -0.5876 -0.5459 921 TYR B CE1 1880 C CE2 . TYR B 42 ? 1.4445 1.5968 2.3766 0.0341 -0.5468 -0.4896 921 TYR B CE2 1881 C CZ . TYR B 42 ? 1.5501 1.7103 2.5190 0.0282 -0.5890 -0.5302 921 TYR B CZ 1882 O OH . TYR B 42 ? 1.5768 1.7356 2.4846 0.0560 -0.6322 -0.5547 921 TYR B OH 1883 N N . TYR B 43 ? 1.2571 1.3185 2.2070 -0.0511 -0.3695 -0.3793 922 TYR B N 1884 C CA . TYR B 43 ? 1.2365 1.2597 2.0846 -0.0286 -0.3573 -0.3608 922 TYR B CA 1885 C C . TYR B 43 ? 1.2536 1.2970 2.0513 0.0060 -0.3733 -0.3595 922 TYR B C 1886 O O . TYR B 43 ? 1.2351 1.3198 2.0746 0.0105 -0.3753 -0.3575 922 TYR B O 1887 C CB . TYR B 43 ? 1.2204 1.2220 2.0507 -0.0436 -0.3079 -0.3228 922 TYR B CB 1888 C CG . TYR B 43 ? 1.2509 1.2314 2.1314 -0.0796 -0.2899 -0.3178 922 TYR B CG 1889 C CD1 . TYR B 43 ? 1.3019 1.2354 2.1563 -0.0847 -0.2975 -0.3253 922 TYR B CD1 1890 C CD2 . TYR B 43 ? 1.2435 1.2512 2.1993 -0.1086 -0.2657 -0.3058 922 TYR B CD2 1891 C CE1 . TYR B 43 ? 1.3215 1.2310 2.2230 -0.1178 -0.2830 -0.3183 922 TYR B CE1 1892 C CE2 . TYR B 43 ? 1.2639 1.2503 2.2643 -0.1436 -0.2490 -0.2975 922 TYR B CE2 1893 C CZ . TYR B 43 ? 1.3809 1.3161 2.3542 -0.1481 -0.2591 -0.3029 922 TYR B CZ 1894 O OH . TYR B 43 ? 1.4166 1.3264 2.4343 -0.1825 -0.2444 -0.2923 922 TYR B OH 1895 N N . THR B 44 ? 1.2044 1.2191 1.9139 0.0304 -0.3845 -0.3603 923 THR B N 1896 C CA . THR B 44 ? 1.1952 1.2196 1.8410 0.0634 -0.3975 -0.3532 923 THR B CA 1897 C C . THR B 44 ? 1.2079 1.1971 1.7757 0.0711 -0.3627 -0.3209 923 THR B C 1898 O O . THR B 44 ? 1.2215 1.1744 1.7543 0.0649 -0.3517 -0.3199 923 THR B O 1899 C CB . THR B 44 ? 1.3148 1.3423 1.9254 0.0850 -0.4442 -0.3842 923 THR B CB 1900 O OG1 . THR B 44 ? 1.3663 1.4265 2.0586 0.0738 -0.4761 -0.4154 923 THR B OG1 1901 C CG2 . THR B 44 ? 1.2625 1.2993 1.8044 0.1185 -0.4588 -0.3729 923 THR B CG2 1902 N N . VAL B 45 ? 1.0996 1.0998 1.6472 0.0834 -0.3453 -0.2953 924 VAL B N 1903 C CA . VAL B 45 ? 1.0526 1.0237 1.5314 0.0906 -0.3132 -0.2639 924 VAL B CA 1904 C C . VAL B 45 ? 1.0646 1.0346 1.4712 0.1225 -0.3318 -0.2586 924 VAL B C 1905 O O . VAL B 45 ? 1.0580 1.0564 1.4820 0.1373 -0.3534 -0.2627 924 VAL B O 1906 C CB . VAL B 45 ? 1.0608 1.0413 1.5724 0.0770 -0.2751 -0.2376 924 VAL B CB 1907 C CG1 . VAL B 45 ? 1.0413 0.9908 1.4818 0.0839 -0.2445 -0.2072 924 VAL B CG1 1908 C CG2 . VAL B 45 ? 1.0424 1.0278 1.6261 0.0436 -0.2559 -0.2402 924 VAL B CG2 1909 N N . ARG B 46 ? 0.9936 0.9316 1.3215 0.1327 -0.3229 -0.2481 925 ARG B N 1910 C CA . ARG B 46 ? 0.9946 0.9279 1.2472 0.1601 -0.3345 -0.2374 925 ARG B CA 1911 C C . ARG B 46 ? 1.0058 0.9150 1.2110 0.1608 -0.2973 -0.2031 925 ARG B C 1912 O O . ARG B 46 ? 0.9875 0.8777 1.2005 0.1428 -0.2678 -0.1934 925 ARG B O 1913 C CB . ARG B 46 ? 1.0158 0.9383 1.2131 0.1734 -0.3605 -0.2592 925 ARG B CB 1914 C CG . ARG B 46 ? 1.0578 0.9473 1.2183 0.1653 -0.3383 -0.2581 925 ARG B CG 1915 C CD . ARG B 46 ? 1.1276 1.0105 1.2396 0.1790 -0.3635 -0.2848 925 ARG B CD 1916 N NE . ARG B 46 ? 1.1167 0.9695 1.1999 0.1727 -0.3408 -0.2844 925 ARG B NE 1917 C CZ . ARG B 46 ? 1.3643 1.2061 1.4025 0.1832 -0.3529 -0.3071 925 ARG B CZ 1918 N NH1 . ARG B 46 ? 1.3069 1.1651 1.3186 0.1997 -0.3882 -0.3328 925 ARG B NH1 1919 N NH2 . ARG B 46 ? 1.1869 1.0025 1.2075 0.1780 -0.3307 -0.3061 925 ARG B NH2 1920 N N . TRP B 47 ? 0.9408 0.8499 1.0984 0.1811 -0.3002 -0.1842 926 TRP B N 1921 C CA . TRP B 47 ? 0.9016 0.7886 1.0136 0.1832 -0.2687 -0.1525 926 TRP B CA 1922 C C . TRP B 47 ? 0.9478 0.8286 0.9902 0.2075 -0.2812 -0.1373 926 TRP B C 1923 O O . TRP B 47 ? 0.9773 0.8758 1.0198 0.2237 -0.3126 -0.1447 926 TRP B O 1924 C CB . TRP B 47 ? 0.8442 0.7389 1.0070 0.1710 -0.2430 -0.1364 926 TRP B CB 1925 C CG . TRP B 47 ? 0.8576 0.7803 1.0610 0.1825 -0.2606 -0.1381 926 TRP B CG 1926 C CD1 . TRP B 47 ? 0.8960 0.8168 1.0748 0.2005 -0.2620 -0.1186 926 TRP B CD1 1927 C CD2 . TRP B 47 ? 0.8590 0.8159 1.1404 0.1769 -0.2794 -0.1606 926 TRP B CD2 1928 N NE1 . TRP B 47 ? 0.8900 0.8414 1.1257 0.2088 -0.2821 -0.1285 926 TRP B NE1 1929 C CE2 . TRP B 47 ? 0.9085 0.8850 1.2089 0.1945 -0.2927 -0.1547 926 TRP B CE2 1930 C CE3 . TRP B 47 ? 0.8743 0.8472 1.2144 0.1587 -0.2879 -0.1858 926 TRP B CE3 1931 C CZ2 . TRP B 47 ? 0.9024 0.9179 1.2807 0.1950 -0.3128 -0.1739 926 TRP B CZ2 1932 C CZ3 . TRP B 47 ? 0.8919 0.9033 1.3092 0.1567 -0.3066 -0.2038 926 TRP B CZ3 1933 C CH2 . TRP B 47 ? 0.9012 0.9354 1.3375 0.1753 -0.3189 -0.1984 926 TRP B CH2 1934 N N . LYS B 48 ? 0.8800 0.7361 0.8637 0.2093 -0.2577 -0.1154 927 LYS B N 1935 C CA . LYS B 48 ? 0.9086 0.7546 0.8226 0.2284 -0.2625 -0.0950 927 LYS B CA 1936 C C . LYS B 48 ? 1.0129 0.8352 0.8985 0.2215 -0.2255 -0.0657 927 LYS B C 1937 O O . LYS B 48 ? 0.9762 0.7895 0.8845 0.2037 -0.2000 -0.0653 927 LYS B O 1938 C CB . LYS B 48 ? 0.9489 0.7936 0.8026 0.2409 -0.2831 -0.1094 927 LYS B CB 1939 C CG . LYS B 48 ? 0.9177 0.7447 0.7345 0.2335 -0.2617 -0.1135 927 LYS B CG 1940 C CD . LYS B 48 ? 1.0542 0.8842 0.8065 0.2494 -0.2822 -0.1279 927 LYS B CD 1941 C CE . LYS B 48 ? 1.0857 0.9015 0.7960 0.2467 -0.2616 -0.1326 927 LYS B CE 1942 N NZ . LYS B 48 ? 1.0995 0.9245 0.7671 0.2599 -0.2858 -0.1610 927 LYS B NZ 1943 N N . THR B 49 ? 1.0221 0.8338 0.8604 0.2347 -0.2237 -0.0403 928 THR B N 1944 C CA . THR B 49 ? 1.0089 0.7985 0.8192 0.2279 -0.1911 -0.0136 928 THR B CA 1945 C C . THR B 49 ? 1.1257 0.9047 0.8838 0.2263 -0.1809 -0.0159 928 THR B C 1946 O O . THR B 49 ? 1.1736 0.9585 0.8900 0.2388 -0.2005 -0.0258 928 THR B O 1947 C CB . THR B 49 ? 1.1296 0.9089 0.9111 0.2409 -0.1932 0.0140 928 THR B CB 1948 O OG1 . THR B 49 ? 1.2325 1.0099 0.9507 0.2570 -0.2123 0.0200 928 THR B OG1 1949 C CG2 . THR B 49 ? 1.0888 0.8799 0.9231 0.2466 -0.2062 0.0132 928 THR B CG2 1950 N N . ASN B 50 ? 1.0845 0.8503 0.8469 0.2113 -0.1511 -0.0090 929 ASN B N 1951 C CA . ASN B 50 ? 1.0928 0.8491 0.8168 0.2083 -0.1363 -0.0110 929 ASN B CA 1952 C C . ASN B 50 ? 1.1979 0.9511 0.8492 0.2229 -0.1383 0.0034 929 ASN B C 1953 O O . ASN B 50 ? 1.2028 0.9611 0.8191 0.2296 -0.1444 -0.0118 929 ASN B O 1954 C CB . ASN B 50 ? 1.0199 0.7620 0.7619 0.1914 -0.1048 0.0026 929 ASN B CB 1955 C CG . ASN B 50 ? 1.2168 0.9503 0.9322 0.1876 -0.0888 0.0000 929 ASN B CG 1956 O OD1 . ASN B 50 ? 1.1427 0.8667 0.8260 0.1865 -0.0688 0.0205 929 ASN B OD1 1957 N ND2 . ASN B 50 ? 1.0190 0.7556 0.7529 0.1850 -0.0974 -0.0261 929 ASN B ND2 1958 N N . ILE B 51 ? 1.1904 0.9354 0.8205 0.2279 -0.1341 0.0317 930 ILE B N 1959 C CA . ILE B 51 ? 1.5185 1.2587 1.0819 0.2397 -0.1353 0.0523 930 ILE B CA 1960 C C . ILE B 51 ? 1.4517 1.1931 1.0050 0.2540 -0.1606 0.0646 930 ILE B C 1961 O O . ILE B 51 ? 1.0609 0.8166 0.6308 0.2630 -0.1891 0.0459 930 ILE B O 1962 C CB . ILE B 51 ? 1.5442 1.2684 1.0811 0.2311 -0.1037 0.0797 930 ILE B CB 1963 C CG1 . ILE B 51 ? 1.5023 1.2128 1.0823 0.2191 -0.0871 0.0954 930 ILE B CG1 1964 C CG2 . ILE B 51 ? 1.5461 1.2738 1.0671 0.2249 -0.0852 0.0678 930 ILE B CG2 1965 C CD1 . ILE B 51 ? 1.5892 1.2867 1.1585 0.2257 -0.0920 0.1221 930 ILE B CD1 1966 N N . THR B 55 ? 1.4479 1.2767 0.9517 0.3096 -0.3203 -0.0647 934 THR B N 1967 C CA . THR B 55 ? 1.4220 1.2558 0.9869 0.3105 -0.3364 -0.0580 934 THR B CA 1968 C C . THR B 55 ? 1.4576 1.3130 1.0790 0.3090 -0.3653 -0.0970 934 THR B C 1969 O O . THR B 55 ? 1.4588 1.3167 1.0905 0.3001 -0.3602 -0.1248 934 THR B O 1970 C CB . THR B 55 ? 1.4841 1.3036 1.1008 0.2942 -0.3022 -0.0398 934 THR B CB 1971 O OG1 . THR B 55 ? 1.4307 1.2307 1.0041 0.2874 -0.2671 -0.0170 934 THR B OG1 1972 C CG2 . THR B 55 ? 1.4566 1.2760 1.1110 0.2999 -0.3117 -0.0206 934 THR B CG2 1973 N N . LYS B 56 ? 1.3994 1.2707 1.0613 0.3175 -0.3961 -0.1004 935 LYS B N 1974 C CA . LYS B 56 ? 1.3862 1.2807 1.1084 0.3138 -0.4233 -0.1388 935 LYS B CA 1975 C C . LYS B 56 ? 1.3292 1.2289 1.1439 0.2941 -0.4058 -0.1478 935 LYS B C 1976 O O . LYS B 56 ? 1.2653 1.1600 1.1118 0.2901 -0.3872 -0.1250 935 LYS B O 1977 C CB . LYS B 56 ? 1.4782 1.3955 1.1949 0.3325 -0.4738 -0.1533 935 LYS B CB 1978 C CG . LYS B 56 ? 1.6771 1.5924 1.3605 0.3524 -0.4926 -0.1219 935 LYS B CG 1979 C CD . LYS B 56 ? 1.8534 1.7953 1.5471 0.3690 -0.5462 -0.1423 935 LYS B CD 1980 C CE . LYS B 56 ? 1.9594 1.9262 1.7556 0.3669 -0.5653 -0.1569 935 LYS B CE 1981 N NZ . LYS B 56 ? 2.0891 2.0787 1.8856 0.3883 -0.6187 -0.1644 935 LYS B NZ 1982 N N . TYR B 57 ? 1.2719 1.1811 1.1283 0.2815 -0.4117 -0.1814 936 TYR B N 1983 C CA . TYR B 57 ? 1.2157 1.1313 1.1594 0.2602 -0.3965 -0.1918 936 TYR B CA 1984 C C . TYR B 57 ? 1.2402 1.1844 1.2532 0.2636 -0.4213 -0.1988 936 TYR B C 1985 O O . TYR B 57 ? 1.2950 1.2598 1.3113 0.2760 -0.4614 -0.2189 936 TYR B O 1986 C CB . TYR B 57 ? 1.2374 1.1529 1.2064 0.2460 -0.4006 -0.2264 936 TYR B CB 1987 C CG . TYR B 57 ? 1.2591 1.1475 1.1937 0.2361 -0.3686 -0.2225 936 TYR B CG 1988 C CD1 . TYR B 57 ? 1.2355 1.1091 1.2032 0.2173 -0.3318 -0.2056 936 TYR B CD1 1989 C CD2 . TYR B 57 ? 1.3183 1.1978 1.1896 0.2459 -0.3762 -0.2380 936 TYR B CD2 1990 C CE1 . TYR B 57 ? 1.2487 1.0983 1.1887 0.2093 -0.3054 -0.2022 936 TYR B CE1 1991 C CE2 . TYR B 57 ? 1.3241 1.1812 1.1697 0.2385 -0.3476 -0.2364 936 TYR B CE2 1992 C CZ . TYR B 57 ? 1.3858 1.2276 1.2677 0.2205 -0.3135 -0.2179 936 TYR B CZ 1993 O OH . TYR B 57 ? 1.4107 1.2311 1.2700 0.2145 -0.2880 -0.2160 936 TYR B OH 1994 N N . LYS B 58 ? 1.1118 1.0596 1.1812 0.2529 -0.3980 -0.1841 937 LYS B N 1995 C CA . LYS B 58 ? 1.0839 1.0631 1.2330 0.2533 -0.4154 -0.1937 937 LYS B CA 1996 C C . LYS B 58 ? 1.0922 1.0827 1.3124 0.2277 -0.4064 -0.2186 937 LYS B C 1997 O O . LYS B 58 ? 1.0759 1.0435 1.2793 0.2119 -0.3794 -0.2166 937 LYS B O 1998 C CB . LYS B 58 ? 1.0730 1.0498 1.2438 0.2551 -0.3907 -0.1658 937 LYS B CB 1999 C CG . LYS B 58 ? 1.1361 1.0980 1.2441 0.2792 -0.4002 -0.1386 937 LYS B CG 2000 C CD . LYS B 58 ? 1.2259 1.1791 1.3554 0.2785 -0.3715 -0.1134 937 LYS B CD 2001 C CE . LYS B 58 ? 1.1887 1.1250 1.2667 0.3019 -0.3830 -0.0856 937 LYS B CE 2002 N NZ . LYS B 58 ? 0.8530 0.7871 0.9716 0.3042 -0.3641 -0.0693 937 LYS B NZ 2003 N N . ASN B 59 ? 1.0408 1.0655 1.3392 0.2231 -0.4298 -0.2419 938 ASN B N 2004 C CA . ASN B 59 ? 1.0186 1.0534 1.3885 0.1959 -0.4205 -0.2634 938 ASN B CA 2005 C C . ASN B 59 ? 1.0623 1.1373 1.5339 0.1857 -0.4263 -0.2755 938 ASN B C 2006 O O . ASN B 59 ? 1.0642 1.1638 1.5565 0.2031 -0.4447 -0.2726 938 ASN B O 2007 C CB . ASN B 59 ? 1.0386 1.0636 1.3897 0.1907 -0.4414 -0.2918 938 ASN B CB 2008 C CG . ASN B 59 ? 1.2300 1.2735 1.5631 0.2108 -0.4910 -0.3152 938 ASN B CG 2009 O OD1 . ASN B 59 ? 1.2347 1.3134 1.6300 0.2136 -0.5196 -0.3314 938 ASN B OD1 2010 N ND2 . ASN B 59 ? 1.0596 1.0818 1.3069 0.2252 -0.5020 -0.3184 938 ASN B ND2 2011 N N . ALA B 60 ? 1.0122 1.0937 1.5486 0.1569 -0.4088 -0.2875 939 ALA B N 2012 C CA . ALA B 60 ? 1.0018 1.1233 1.6406 0.1411 -0.4063 -0.2985 939 ALA B CA 2013 C C . ALA B 60 ? 1.0855 1.2087 1.7817 0.1099 -0.4009 -0.3179 939 ALA B C 2014 O O . ALA B 60 ? 1.0871 1.1741 1.7440 0.0985 -0.3865 -0.3149 939 ALA B O 2015 C CB . ALA B 60 ? 0.9723 1.0973 1.6287 0.1362 -0.3654 -0.2721 939 ALA B CB 2016 N N . ASN B 61 ? 1.0627 1.2278 1.8554 0.0957 -0.4116 -0.3368 940 ASN B N 2017 C CA . ASN B 61 ? 1.0644 1.2353 1.9261 0.0630 -0.4072 -0.3545 940 ASN B CA 2018 C C . ASN B 61 ? 1.0806 1.2698 2.0112 0.0355 -0.3644 -0.3393 940 ASN B C 2019 O O . ASN B 61 ? 1.0611 1.2846 2.0285 0.0426 -0.3543 -0.3320 940 ASN B O 2020 C CB . ASN B 61 ? 1.1208 1.3280 2.0448 0.0642 -0.4542 -0.3904 940 ASN B CB 2021 C CG . ASN B 61 ? 1.6759 1.8645 2.5388 0.0835 -0.4967 -0.4118 940 ASN B CG 2022 O OD1 . ASN B 61 ? 1.6153 1.7632 2.4264 0.0781 -0.4923 -0.4147 940 ASN B OD1 2023 N ND2 . ASN B 61 ? 1.7432 1.9638 2.6145 0.1066 -0.5393 -0.4285 940 ASN B ND2 2024 N N . ALA B 62 ? 1.0288 1.1961 1.9787 0.0041 -0.3405 -0.3357 941 ALA B N 2025 C CA . ALA B 62 ? 0.9977 1.1790 2.0080 -0.0269 -0.2984 -0.3201 941 ALA B CA 2026 C C . ALA B 62 ? 1.0562 1.2357 2.1323 -0.0623 -0.2995 -0.3339 941 ALA B C 2027 O O . ALA B 62 ? 1.0789 1.2210 2.1254 -0.0661 -0.3164 -0.3443 941 ALA B O 2028 C CB . ALA B 62 ? 0.9833 1.1280 1.9276 -0.0291 -0.2552 -0.2858 941 ALA B CB 2029 N N . THR B 63 ? 0.9904 1.2104 2.1575 -0.0886 -0.2803 -0.3341 942 THR B N 2030 C CA . THR B 63 ? 0.9944 1.2173 2.2365 -0.1273 -0.2762 -0.3430 942 THR B CA 2031 C C . THR B 63 ? 1.0023 1.1982 2.2317 -0.1554 -0.2250 -0.3092 942 THR B C 2032 O O . THR B 63 ? 0.9942 1.1885 2.2806 -0.1912 -0.2112 -0.3063 942 THR B O 2033 C CB . THR B 63 ? 1.1189 1.4079 2.4739 -0.1400 -0.2895 -0.3656 942 THR B CB 2034 O OG1 . THR B 63 ? 1.1033 1.4300 2.4997 -0.1516 -0.2474 -0.3467 942 THR B OG1 2035 C CG2 . THR B 63 ? 1.1060 1.4273 2.4698 -0.1074 -0.3398 -0.3952 942 THR B CG2 2036 N N . THR B 64 ? 0.9320 1.1066 2.0851 -0.1388 -0.1986 -0.2831 943 THR B N 2037 C CA . THR B 64 ? 0.9119 1.0596 2.0332 -0.1579 -0.1521 -0.2492 943 THR B CA 2038 C C . THR B 64 ? 0.9649 1.0502 1.9857 -0.1433 -0.1518 -0.2338 943 THR B C 2039 O O . THR B 64 ? 0.9661 1.0362 1.9346 -0.1136 -0.1814 -0.2467 943 THR B O 2040 C CB . THR B 64 ? 0.9458 1.1334 2.0825 -0.1558 -0.1170 -0.2340 943 THR B CB 2041 O OG1 . THR B 64 ? 0.9195 1.0815 2.0221 -0.1754 -0.0733 -0.2021 943 THR B OG1 2042 C CG2 . THR B 64 ? 0.8998 1.0975 1.9886 -0.1150 -0.1302 -0.2375 943 THR B CG2 2043 N N . LEU B 65 ? 0.9148 0.9660 1.9105 -0.1648 -0.1185 -0.2060 944 LEU B N 2044 C CA . LEU B 65 ? 0.9124 0.9070 1.8230 -0.1552 -0.1136 -0.1889 944 LEU B CA 2045 C C . LEU B 65 ? 0.9281 0.9183 1.7696 -0.1354 -0.0886 -0.1658 944 LEU B C 2046 O O . LEU B 65 ? 0.9096 0.8663 1.7031 -0.1423 -0.0636 -0.1399 944 LEU B O 2047 C CB . LEU B 65 ? 0.9288 0.8869 1.8526 -0.1885 -0.0959 -0.1712 944 LEU B CB 2048 C CG . LEU B 65 ? 1.0108 0.9413 1.9619 -0.1979 -0.1273 -0.1926 944 LEU B CG 2049 C CD1 . LEU B 65 ? 1.0271 0.9940 2.0765 -0.2232 -0.1375 -0.2111 944 LEU B CD1 2050 C CD2 . LEU B 65 ? 1.0522 0.9286 1.9788 -0.2166 -0.1124 -0.1699 944 LEU B CD2 2051 N N . SER B 66 ? 0.8786 0.9030 1.7192 -0.1106 -0.0980 -0.1760 945 SER B N 2052 C CA . SER B 66 ? 0.8558 0.8816 1.6409 -0.0878 -0.0819 -0.1606 945 SER B CA 2053 C C . SER B 66 ? 0.8941 0.9528 1.6892 -0.0581 -0.1100 -0.1804 945 SER B C 2054 O O . SER B 66 ? 0.9058 0.9997 1.7672 -0.0607 -0.1322 -0.2033 945 SER B O 2055 C CB . SER B 66 ? 0.8855 0.9302 1.6895 -0.1060 -0.0388 -0.1399 945 SER B CB 2056 O OG . SER B 66 ? 1.0471 1.1436 1.9370 -0.1195 -0.0353 -0.1539 945 SER B OG 2057 N N . TYR B 67 ? 0.8232 0.8694 1.5539 -0.0304 -0.1107 -0.1708 946 TYR B N 2058 C CA . TYR B 67 ? 0.8169 0.8883 1.5476 -0.0005 -0.1352 -0.1828 946 TYR B CA 2059 C C . TYR B 67 ? 0.8487 0.9087 1.5245 0.0182 -0.1159 -0.1623 946 TYR B C 2060 O O . TYR B 67 ? 0.8509 0.8721 1.4597 0.0190 -0.1001 -0.1431 946 TYR B O 2061 C CB . TYR B 67 ? 0.8602 0.9229 1.5674 0.0194 -0.1804 -0.2028 946 TYR B CB 2062 C CG . TYR B 67 ? 0.8994 0.9888 1.6089 0.0494 -0.2081 -0.2128 946 TYR B CG 2063 C CD1 . TYR B 67 ? 0.9276 1.0650 1.7174 0.0497 -0.2274 -0.2337 946 TYR B CD1 2064 C CD2 . TYR B 67 ? 0.9198 0.9868 1.5537 0.0771 -0.2157 -0.2000 946 TYR B CD2 2065 C CE1 . TYR B 67 ? 0.9511 1.1121 1.7448 0.0788 -0.2555 -0.2416 946 TYR B CE1 2066 C CE2 . TYR B 67 ? 0.9483 1.0361 1.5830 0.1047 -0.2425 -0.2057 946 TYR B CE2 2067 C CZ . TYR B 67 ? 1.0680 1.2022 1.7824 0.1064 -0.2631 -0.2264 946 TYR B CZ 2068 O OH . TYR B 67 ? 1.1195 1.2734 1.8368 0.1351 -0.2923 -0.2311 946 TYR B OH 2069 N N . LEU B 68 ? 0.7758 0.8708 1.4861 0.0327 -0.1173 -0.1675 947 LEU B N 2070 C CA . LEU B 68 ? 0.7424 0.8322 1.4169 0.0513 -0.1017 -0.1525 947 LEU B CA 2071 C C . LEU B 68 ? 0.7788 0.8579 1.4100 0.0844 -0.1362 -0.1548 947 LEU B C 2072 O O . LEU B 68 ? 0.7878 0.8974 1.4596 0.1007 -0.1638 -0.1706 947 LEU B O 2073 C CB . LEU B 68 ? 0.7299 0.8662 1.4770 0.0479 -0.0842 -0.1600 947 LEU B CB 2074 C CG . LEU B 68 ? 0.7771 0.9092 1.5069 0.0436 -0.0434 -0.1435 947 LEU B CG 2075 C CD1 . LEU B 68 ? 0.7813 0.8934 1.4924 0.0129 -0.0104 -0.1283 947 LEU B CD1 2076 C CD2 . LEU B 68 ? 0.8026 0.9859 1.6085 0.0443 -0.0298 -0.1568 947 LEU B CD2 2077 N N . VAL B 69 ? 0.7224 0.7592 1.2719 0.0939 -0.1361 -0.1386 948 VAL B N 2078 C CA . VAL B 69 ? 0.7286 0.7515 1.2269 0.1234 -0.1657 -0.1362 948 VAL B CA 2079 C C . VAL B 69 ? 0.7540 0.7781 1.2435 0.1414 -0.1555 -0.1228 948 VAL B C 2080 O O . VAL B 69 ? 0.7356 0.7414 1.2002 0.1338 -0.1230 -0.1059 948 VAL B O 2081 C CB . VAL B 69 ? 0.7853 0.7659 1.2025 0.1255 -0.1683 -0.1253 948 VAL B CB 2082 C CG1 . VAL B 69 ? 0.8057 0.7755 1.1690 0.1543 -0.1983 -0.1220 948 VAL B CG1 2083 C CG2 . VAL B 69 ? 0.7934 0.7700 1.2240 0.1076 -0.1766 -0.1406 948 VAL B CG2 2084 N N . THR B 70 ? 0.7001 0.7454 1.2132 0.1651 -0.1844 -0.1312 949 THR B N 2085 C CA . THR B 70 ? 0.6874 0.7322 1.1989 0.1850 -0.1795 -0.1205 949 THR B CA 2086 C C . THR B 70 ? 0.7436 0.7667 1.1990 0.2143 -0.2119 -0.1095 949 THR B C 2087 O O . THR B 70 ? 0.7562 0.7699 1.1741 0.2198 -0.2388 -0.1124 949 THR B O 2088 C CB . THR B 70 ? 0.7363 0.8279 1.3381 0.1867 -0.1773 -0.1376 949 THR B CB 2089 O OG1 . THR B 70 ? 0.7479 0.8721 1.3977 0.1940 -0.2145 -0.1585 949 THR B OG1 2090 C CG2 . THR B 70 ? 0.6800 0.7903 1.3268 0.1583 -0.1373 -0.1421 949 THR B CG2 2091 N N . GLY B 71 ? 0.6754 0.6891 1.1236 0.2322 -0.2082 -0.0966 950 GLY B N 2092 C CA . GLY B 71 ? 0.7024 0.6925 1.0993 0.2593 -0.2362 -0.0812 950 GLY B CA 2093 C C . GLY B 71 ? 0.7588 0.7049 1.0631 0.2580 -0.2305 -0.0588 950 GLY B C 2094 O O . GLY B 71 ? 0.7939 0.7237 1.0477 0.2762 -0.2580 -0.0478 950 GLY B O 2095 N N . LEU B 72 ? 0.6707 0.5987 0.9523 0.2364 -0.1942 -0.0510 951 LEU B N 2096 C CA . LEU B 72 ? 0.6650 0.5549 0.8674 0.2320 -0.1824 -0.0311 951 LEU B CA 2097 C C . LEU B 72 ? 0.7297 0.5905 0.8984 0.2415 -0.1686 -0.0074 951 LEU B C 2098 O O . LEU B 72 ? 0.7041 0.5724 0.9140 0.2457 -0.1586 -0.0090 951 LEU B O 2099 C CB . LEU B 72 ? 0.6279 0.5138 0.8288 0.2047 -0.1532 -0.0349 951 LEU B CB 2100 C CG . LEU B 72 ? 0.6586 0.5692 0.8996 0.1913 -0.1638 -0.0584 951 LEU B CG 2101 C CD1 . LEU B 72 ? 0.6198 0.5272 0.8755 0.1642 -0.1320 -0.0593 951 LEU B CD1 2102 C CD2 . LEU B 72 ? 0.6993 0.6012 0.8958 0.1991 -0.1906 -0.0634 951 LEU B CD2 2103 N N . LYS B 73 ? 0.7293 0.5581 0.8257 0.2453 -0.1686 0.0133 952 LYS B N 2104 C CA . LYS B 73 ? 0.7360 0.5333 0.7965 0.2523 -0.1571 0.0376 952 LYS B CA 2105 C C . LYS B 73 ? 0.7376 0.5224 0.7980 0.2320 -0.1179 0.0424 952 LYS B C 2106 O O . LYS B 73 ? 0.6867 0.4763 0.7437 0.2133 -0.1021 0.0356 952 LYS B O 2107 C CB . LYS B 73 ? 0.7996 0.5708 0.7835 0.2611 -0.1701 0.0586 952 LYS B CB 2108 C CG . LYS B 73 ? 1.0393 0.8116 1.0126 0.2861 -0.2080 0.0648 952 LYS B CG 2109 C CD . LYS B 73 ? 1.2707 1.0278 1.1680 0.2928 -0.2234 0.0801 952 LYS B CD 2110 C CE . LYS B 73 ? 1.4687 1.1896 1.3097 0.2982 -0.2163 0.1133 952 LYS B CE 2111 N NZ . LYS B 73 ? 1.6037 1.3151 1.3701 0.3025 -0.2272 0.1273 952 LYS B NZ 2112 N N . PRO B 74 ? 0.6874 0.4546 0.7507 0.2350 -0.1028 0.0535 953 PRO B N 2113 C CA . PRO B 74 ? 0.6622 0.4172 0.7183 0.2154 -0.0677 0.0576 953 PRO B CA 2114 C C . PRO B 74 ? 0.7321 0.4610 0.7232 0.2063 -0.0588 0.0759 953 PRO B C 2115 O O . PRO B 74 ? 0.7747 0.4889 0.7230 0.2178 -0.0760 0.0901 953 PRO B O 2116 C CB . PRO B 74 ? 0.6818 0.4219 0.7527 0.2252 -0.0609 0.0635 953 PRO B CB 2117 C CG . PRO B 74 ? 0.7421 0.4909 0.8397 0.2487 -0.0905 0.0600 953 PRO B CG 2118 C CD . PRO B 74 ? 0.7072 0.4602 0.7748 0.2561 -0.1179 0.0641 953 PRO B CD 2119 N N . ASN B 75 ? 0.6642 0.3894 0.6479 0.1861 -0.0325 0.0760 954 ASN B N 2120 C CA . ASN B 75 ? 0.6736 0.3774 0.6031 0.1769 -0.0218 0.0916 954 ASN B CA 2121 C C . ASN B 75 ? 0.7521 0.4585 0.6486 0.1828 -0.0402 0.0921 954 ASN B C 2122 O O . ASN B 75 ? 0.7878 0.4763 0.6349 0.1874 -0.0421 0.1091 954 ASN B O 2123 C CB . ASN B 75 ? 0.6715 0.3461 0.5697 0.1804 -0.0137 0.1125 954 ASN B CB 2124 C CG . ASN B 75 ? 0.8129 0.4706 0.6711 0.1660 0.0052 0.1258 954 ASN B CG 2125 O OD1 . ASN B 75 ? 0.7202 0.3856 0.5838 0.1504 0.0202 0.1188 954 ASN B OD1 2126 N ND2 . ASN B 75 ? 0.6874 0.3216 0.5079 0.1705 0.0048 0.1463 954 ASN B ND2 2127 N N . THR B 76 ? 0.6773 0.4073 0.6018 0.1829 -0.0541 0.0725 955 THR B N 2128 C CA . THR B 76 ? 0.6747 0.4092 0.5702 0.1903 -0.0744 0.0677 955 THR B CA 2129 C C . THR B 76 ? 0.7136 0.4591 0.6241 0.1761 -0.0694 0.0510 955 THR B C 2130 O O . THR B 76 ? 0.7011 0.4637 0.6628 0.1663 -0.0661 0.0360 955 THR B O 2131 C CB . THR B 76 ? 0.6996 0.4474 0.6065 0.2102 -0.1066 0.0613 955 THR B CB 2132 O OG1 . THR B 76 ? 0.7352 0.4648 0.6198 0.2236 -0.1112 0.0819 955 THR B OG1 2133 C CG2 . THR B 76 ? 0.6470 0.4023 0.5226 0.2182 -0.1299 0.0524 955 THR B CG2 2134 N N . LEU B 77 ? 0.6699 0.4058 0.5369 0.1749 -0.0686 0.0536 956 LEU B N 2135 C CA . LEU B 77 ? 0.6407 0.3816 0.5173 0.1635 -0.0659 0.0379 956 LEU B CA 2136 C C . LEU B 77 ? 0.6932 0.4503 0.5763 0.1734 -0.0947 0.0167 956 LEU B C 2137 O O . LEU B 77 ? 0.6995 0.4563 0.5428 0.1894 -0.1125 0.0189 956 LEU B O 2138 C CB . LEU B 77 ? 0.6323 0.3560 0.4647 0.1582 -0.0493 0.0487 956 LEU B CB 2139 C CG . LEU B 77 ? 0.6710 0.3946 0.5100 0.1487 -0.0468 0.0339 956 LEU B CG 2140 C CD1 . LEU B 77 ? 0.6450 0.3684 0.5288 0.1296 -0.0314 0.0313 956 LEU B CD1 2141 C CD2 . LEU B 77 ? 0.6803 0.3914 0.4723 0.1506 -0.0358 0.0432 956 LEU B CD2 2142 N N . TYR B 78 ? 0.6557 0.4264 0.5883 0.1624 -0.0989 -0.0033 957 TYR B N 2143 C CA . TYR B 78 ? 0.6732 0.4610 0.6265 0.1675 -0.1263 -0.0280 957 TYR B CA 2144 C C . TYR B 78 ? 0.7289 0.5121 0.6928 0.1546 -0.1237 -0.0441 957 TYR B C 2145 O O . TYR B 78 ? 0.7139 0.4862 0.6915 0.1382 -0.1008 -0.0372 957 TYR B O 2146 C CB . TYR B 78 ? 0.6819 0.4937 0.6992 0.1657 -0.1371 -0.0391 957 TYR B CB 2147 C CG . TYR B 78 ? 0.7279 0.5457 0.7416 0.1827 -0.1473 -0.0280 957 TYR B CG 2148 C CD1 . TYR B 78 ? 0.7792 0.6082 0.7804 0.2023 -0.1804 -0.0352 957 TYR B CD1 2149 C CD2 . TYR B 78 ? 0.7258 0.5377 0.7505 0.1798 -0.1258 -0.0112 957 TYR B CD2 2150 C CE1 . TYR B 78 ? 0.7889 0.6204 0.7887 0.2191 -0.1922 -0.0230 957 TYR B CE1 2151 C CE2 . TYR B 78 ? 0.7482 0.5630 0.7757 0.1965 -0.1367 -0.0023 957 TYR B CE2 2152 C CZ . TYR B 78 ? 0.8203 0.6434 0.8349 0.2164 -0.1702 -0.0067 957 TYR B CZ 2153 O OH . TYR B 78 ? 0.8061 0.6280 0.8224 0.2339 -0.1826 0.0047 957 TYR B OH 2154 N N . GLU B 79 ? 0.7197 0.5108 0.6787 0.1626 -0.1493 -0.0665 958 GLU B N 2155 C CA . GLU B 79 ? 0.7233 0.5106 0.6962 0.1543 -0.1559 -0.0888 958 GLU B CA 2156 C C . GLU B 79 ? 0.8061 0.6141 0.8453 0.1464 -0.1755 -0.1113 958 GLU B C 2157 O O . GLU B 79 ? 0.8319 0.6599 0.8807 0.1585 -0.1989 -0.1194 958 GLU B O 2158 C CB . GLU B 79 ? 0.7787 0.5645 0.6978 0.1720 -0.1754 -0.1024 958 GLU B CB 2159 C CG . GLU B 79 ? 0.9601 0.7299 0.8142 0.1798 -0.1576 -0.0848 958 GLU B CG 2160 C CD . GLU B 79 ? 1.3353 1.1070 1.1393 0.1951 -0.1736 -0.1025 958 GLU B CD 2161 O OE1 . GLU B 79 ? 1.1664 0.9507 0.9819 0.2012 -0.2018 -0.1291 958 GLU B OE1 2162 O OE2 . GLU B 79 ? 1.4053 1.1674 1.1595 0.2005 -0.1574 -0.0912 958 GLU B OE2 2163 N N . PHE B 80 ? 0.7516 0.5552 0.8369 0.1265 -0.1683 -0.1214 959 PHE B N 2164 C CA . PHE B 80 ? 0.7592 0.5831 0.9123 0.1158 -0.1858 -0.1430 959 PHE B CA 2165 C C . PHE B 80 ? 0.8960 0.7077 1.0684 0.1053 -0.1968 -0.1667 959 PHE B C 2166 O O . PHE B 80 ? 0.8996 0.6862 1.0604 0.0956 -0.1789 -0.1594 959 PHE B O 2167 C CB . PHE B 80 ? 0.7417 0.5769 0.9507 0.0967 -0.1637 -0.1299 959 PHE B CB 2168 C CG . PHE B 80 ? 0.7484 0.5931 0.9470 0.1050 -0.1499 -0.1090 959 PHE B CG 2169 C CD1 . PHE B 80 ? 0.7644 0.5890 0.9228 0.1040 -0.1223 -0.0837 959 PHE B CD1 2170 C CD2 . PHE B 80 ? 0.7816 0.6558 1.0173 0.1133 -0.1648 -0.1161 959 PHE B CD2 2171 C CE1 . PHE B 80 ? 0.7542 0.5849 0.9056 0.1114 -0.1106 -0.0668 959 PHE B CE1 2172 C CE2 . PHE B 80 ? 0.7831 0.6635 1.0131 0.1223 -0.1528 -0.0986 959 PHE B CE2 2173 C CZ . PHE B 80 ? 0.7381 0.5954 0.9254 0.1210 -0.1257 -0.0746 959 PHE B CZ 2174 N N . SER B 81 ? 0.9007 0.7294 1.1051 0.1077 -0.2283 -0.1958 960 SER B N 2175 C CA . SER B 81 ? 0.9273 0.7456 1.1601 0.0974 -0.2437 -0.2231 960 SER B CA 2176 C C . SER B 81 ? 1.0149 0.8601 1.3231 0.0853 -0.2636 -0.2424 960 SER B C 2177 O O . SER B 81 ? 1.0147 0.8890 1.3369 0.0945 -0.2757 -0.2423 960 SER B O 2178 C CB . SER B 81 ? 1.0087 0.8193 1.1870 0.1181 -0.2672 -0.2458 960 SER B CB 2179 O OG . SER B 81 ? 1.1111 0.9192 1.2162 0.1385 -0.2592 -0.2281 960 SER B OG 2180 N N . VAL B 82 ? 1.0075 0.8432 1.3687 0.0640 -0.2666 -0.2576 961 VAL B N 2181 C CA . VAL B 82 ? 1.0291 0.8903 1.4715 0.0476 -0.2843 -0.2771 961 VAL B CA 2182 C C . VAL B 82 ? 1.1632 1.0121 1.6226 0.0449 -0.3146 -0.3134 961 VAL B C 2183 O O . VAL B 82 ? 1.1800 0.9969 1.5994 0.0501 -0.3134 -0.3195 961 VAL B O 2184 C CB . VAL B 82 ? 1.0498 0.9146 1.5548 0.0173 -0.2536 -0.2561 961 VAL B CB 2185 C CG1 . VAL B 82 ? 1.0504 0.9502 1.6427 0.0006 -0.2687 -0.2739 961 VAL B CG1 2186 C CG2 . VAL B 82 ? 1.0124 0.8828 1.4907 0.0208 -0.2214 -0.2224 961 VAL B CG2 2187 N N . MET B 83 ? 1.1670 1.0428 1.6870 0.0381 -0.3429 -0.3396 962 MET B N 2188 C CA . MET B 83 ? 1.2132 1.0810 1.7633 0.0324 -0.3746 -0.3777 962 MET B CA 2189 C C . MET B 83 ? 1.2827 1.1785 1.9324 0.0071 -0.3852 -0.3900 962 MET B C 2190 O O . MET B 83 ? 1.2569 1.1870 1.9409 0.0034 -0.3762 -0.3756 962 MET B O 2191 C CB . MET B 83 ? 1.2795 1.1552 1.7737 0.0619 -0.4111 -0.4066 962 MET B CB 2192 C CG . MET B 83 ? 1.3250 1.2439 1.8276 0.0765 -0.4350 -0.4117 962 MET B CG 2193 S SD . MET B 83 ? 1.4367 1.3685 1.9020 0.1013 -0.4885 -0.4558 962 MET B SD 2194 C CE . MET B 83 ? 1.4184 1.3513 1.9793 0.0742 -0.5139 -0.4955 962 MET B CE 2195 N N . VAL B 84 ? 1.2718 1.1528 1.9707 -0.0109 -0.4028 -0.4164 963 VAL B N 2196 C CA . VAL B 84 ? 1.2725 1.1787 2.0712 -0.0383 -0.4134 -0.4297 963 VAL B CA 2197 C C . VAL B 84 ? 1.3640 1.2874 2.1861 -0.0299 -0.4635 -0.4765 963 VAL B C 2198 O O . VAL B 84 ? 1.3945 1.2961 2.1597 -0.0100 -0.4855 -0.4999 963 VAL B O 2199 C CB . VAL B 84 ? 1.3187 1.1921 2.1675 -0.0733 -0.3888 -0.4159 963 VAL B CB 2200 C CG1 . VAL B 84 ? 1.3543 1.1795 2.1842 -0.0729 -0.4048 -0.4385 963 VAL B CG1 2201 C CG2 . VAL B 84 ? 1.3111 1.2148 2.2650 -0.1059 -0.3894 -0.4198 963 VAL B CG2 2202 N N . THR B 85 ? 1.3180 1.2831 2.2228 -0.0442 -0.4814 -0.4911 964 THR B N 2203 C CA . THR B 85 ? 1.6636 1.6499 2.6070 -0.0412 -0.5310 -0.5367 964 THR B CA 2204 C C . THR B 85 ? 1.7939 1.8037 2.8544 -0.0777 -0.5326 -0.5447 964 THR B C 2205 O O . THR B 85 ? 1.2451 1.2946 2.3553 -0.0874 -0.5156 -0.5259 964 THR B O 2206 C CB . THR B 85 ? 1.7485 1.7734 2.6521 -0.0080 -0.5620 -0.5488 964 THR B CB 2207 O OG1 . THR B 85 ? 1.7342 1.7337 2.5282 0.0225 -0.5598 -0.5416 964 THR B OG1 2208 C CG2 . THR B 85 ? 1.7724 1.8228 2.7181 -0.0056 -0.6158 -0.5963 964 THR B CG2 2209 N N . SER B 91 ? 1.4221 1.2485 2.0636 0.0242 -0.5160 -0.5529 970 SER B N 2210 C CA . SER B 91 ? 1.4018 1.1864 1.9874 0.0306 -0.4864 -0.5341 970 SER B CA 2211 C C . SER B 91 ? 1.3844 1.1772 1.8737 0.0610 -0.4730 -0.5147 970 SER B C 2212 O O . SER B 91 ? 1.3484 1.1761 1.8223 0.0719 -0.4771 -0.5022 970 SER B O 2213 C CB . SER B 91 ? 1.4191 1.1846 2.0484 0.0029 -0.4476 -0.4948 970 SER B CB 2214 O OG . SER B 91 ? 1.5881 1.3140 2.1628 0.0119 -0.4251 -0.4810 970 SER B OG 2215 N N . THR B 92 ? 1.3241 1.0844 1.7526 0.0739 -0.4556 -0.5100 971 THR B N 2216 C CA . THR B 92 ? 1.2918 1.0576 1.6317 0.0993 -0.4380 -0.4878 971 THR B CA 2217 C C . THR B 92 ? 1.2506 1.0221 1.5980 0.0887 -0.4022 -0.4392 971 THR B C 2218 O O . THR B 92 ? 1.2176 0.9829 1.6298 0.0624 -0.3866 -0.4227 971 THR B O 2219 C CB . THR B 92 ? 1.3841 1.1161 1.6688 0.1118 -0.4215 -0.4901 971 THR B CB 2220 O OG1 . THR B 92 ? 1.4350 1.1321 1.7676 0.0964 -0.4247 -0.5096 971 THR B OG1 2221 C CG2 . THR B 92 ? 1.3616 1.1052 1.5612 0.1430 -0.4352 -0.5098 971 THR B CG2 2222 N N . TRP B 93 ? 1.1627 0.9441 1.4409 0.1087 -0.3879 -0.4161 972 TRP B N 2223 C CA . TRP B 93 ? 1.0909 0.8767 1.3641 0.1030 -0.3546 -0.3721 972 TRP B CA 2224 C C . TRP B 93 ? 1.0754 0.8271 1.3483 0.0902 -0.3212 -0.3493 972 TRP B C 2225 O O . TRP B 93 ? 1.0781 0.8046 1.3150 0.0993 -0.3178 -0.3590 972 TRP B O 2226 C CB . TRP B 93 ? 1.0721 0.8746 1.2718 0.1281 -0.3527 -0.3565 972 TRP B CB 2227 C CG . TRP B 93 ? 1.1041 0.9405 1.3088 0.1397 -0.3859 -0.3726 972 TRP B CG 2228 C CD1 . TRP B 93 ? 1.1856 1.0327 1.3530 0.1588 -0.4199 -0.4037 972 TRP B CD1 2229 C CD2 . TRP B 93 ? 1.0767 0.9424 1.3281 0.1338 -0.3898 -0.3595 972 TRP B CD2 2230 N NE1 . TRP B 93 ? 1.1876 1.0678 1.3737 0.1654 -0.4468 -0.4086 972 TRP B NE1 2231 C CE2 . TRP B 93 ? 1.1613 1.0539 1.4027 0.1507 -0.4290 -0.3825 972 TRP B CE2 2232 C CE3 . TRP B 93 ? 1.0449 0.9181 1.3443 0.1169 -0.3638 -0.3312 972 TRP B CE3 2233 C CZ2 . TRP B 93 ? 1.1395 1.0659 1.4217 0.1523 -0.4439 -0.3775 972 TRP B CZ2 2234 C CZ3 . TRP B 93 ? 1.0503 0.9582 1.3899 0.1184 -0.3761 -0.3283 972 TRP B CZ3 2235 C CH2 . TRP B 93 ? 1.0924 1.0263 1.4260 0.1363 -0.4162 -0.3510 972 TRP B CH2 2236 N N . SER B 94 ? 0.9781 0.7310 1.2945 0.0689 -0.2976 -0.3204 973 SER B N 2237 C CA . SER B 94 ? 0.9456 0.6706 1.2683 0.0531 -0.2652 -0.2919 973 SER B CA 2238 C C . SER B 94 ? 0.9628 0.6770 1.2118 0.0706 -0.2425 -0.2685 973 SER B C 2239 O O . SER B 94 ? 0.9525 0.6822 1.1465 0.0931 -0.2485 -0.2699 973 SER B O 2240 C CB . SER B 94 ? 0.9573 0.6982 1.3301 0.0307 -0.2455 -0.2654 973 SER B CB 2241 O OG . SER B 94 ? 1.0055 0.7685 1.3426 0.0434 -0.2321 -0.2433 973 SER B OG 2242 N N . MET B 95 ? 0.8870 0.5762 1.1381 0.0581 -0.2157 -0.2434 974 MET B N 2243 C CA . MET B 95 ? 0.8604 0.5402 1.0549 0.0688 -0.1910 -0.2171 974 MET B CA 2244 C C . MET B 95 ? 0.9050 0.6122 1.0738 0.0766 -0.1813 -0.1962 974 MET B C 2245 O O . MET B 95 ? 0.8914 0.6209 1.0994 0.0674 -0.1854 -0.1943 974 MET B O 2246 C CB . MET B 95 ? 0.8680 0.5216 1.0842 0.0487 -0.1663 -0.1909 974 MET B CB 2247 C CG . MET B 95 ? 0.8891 0.5527 1.1604 0.0226 -0.1550 -0.1732 974 MET B CG 2248 S SD . MET B 95 ? 0.9068 0.5529 1.1731 0.0047 -0.1185 -0.1300 974 MET B SD 2249 C CE . MET B 95 ? 0.8283 0.4914 1.0273 0.0263 -0.1031 -0.1115 974 MET B CE 2250 N N . THR B 96 ? 0.8550 0.5607 0.9617 0.0936 -0.1687 -0.1813 975 THR B N 2251 C CA . THR B 96 ? 0.8254 0.5506 0.9066 0.1013 -0.1595 -0.1601 975 THR B CA 2252 C C . THR B 96 ? 0.8101 0.5281 0.8991 0.0866 -0.1288 -0.1269 975 THR B C 2253 O O . THR B 96 ? 0.7785 0.4752 0.8508 0.0821 -0.1107 -0.1127 975 THR B O 2254 C CB . THR B 96 ? 0.9648 0.6973 0.9786 0.1265 -0.1667 -0.1625 975 THR B CB 2255 O OG1 . THR B 96 ? 1.0027 0.7163 0.9771 0.1321 -0.1510 -0.1560 975 THR B OG1 2256 C CG2 . THR B 96 ? 1.0002 0.7462 1.0068 0.1405 -0.2001 -0.1962 975 THR B CG2 2257 N N . ALA B 97 ? 0.7474 0.4850 0.8653 0.0793 -0.1246 -0.1169 976 ALA B N 2258 C CA . ALA B 97 ? 0.7034 0.4408 0.8283 0.0670 -0.0971 -0.0890 976 ALA B CA 2259 C C . ALA B 97 ? 0.7425 0.4907 0.8260 0.0842 -0.0929 -0.0751 976 ALA B C 2260 O O . ALA B 97 ? 0.7555 0.5191 0.8270 0.1007 -0.1137 -0.0868 976 ALA B O 2261 C CB . ALA B 97 ? 0.6968 0.4516 0.8863 0.0478 -0.0946 -0.0909 976 ALA B CB 2262 N N . HIS B 98 ? 0.6701 0.4084 0.7306 0.0804 -0.0680 -0.0500 977 HIS B N 2263 C CA . HIS B 98 ? 0.6521 0.3952 0.6760 0.0941 -0.0621 -0.0347 977 HIS B CA 2264 C C . HIS B 98 ? 0.7009 0.4504 0.7480 0.0828 -0.0418 -0.0185 977 HIS B C 2265 O O . HIS B 98 ? 0.7146 0.4563 0.7810 0.0640 -0.0232 -0.0098 977 HIS B O 2266 C CB . HIS B 98 ? 0.6649 0.3894 0.6320 0.1026 -0.0514 -0.0212 977 HIS B CB 2267 C CG . HIS B 98 ? 0.7430 0.4639 0.6810 0.1160 -0.0682 -0.0380 977 HIS B CG 2268 N ND1 . HIS B 98 ? 0.7822 0.4926 0.7362 0.1098 -0.0734 -0.0542 977 HIS B ND1 2269 C CD2 . HIS B 98 ? 0.7930 0.5190 0.6855 0.1350 -0.0793 -0.0404 977 HIS B CD2 2270 C CE1 . HIS B 98 ? 0.8050 0.5167 0.7244 0.1262 -0.0877 -0.0696 977 HIS B CE1 2271 N NE2 . HIS B 98 ? 0.8175 0.5395 0.6967 0.1412 -0.0908 -0.0609 977 HIS B NE2 2272 N N . GLY B 99 ? 0.6271 0.3892 0.6682 0.0953 -0.0457 -0.0140 978 GLY B N 2273 C CA . GLY B 99 ? 0.5977 0.3674 0.6569 0.0898 -0.0280 -0.0019 978 GLY B CA 2274 C C . GLY B 99 ? 0.6652 0.4337 0.6934 0.1082 -0.0318 0.0086 978 GLY B C 2275 O O . GLY B 99 ? 0.7102 0.4848 0.7249 0.1256 -0.0548 0.0018 978 GLY B O 2276 N N . ALA B 100 ? 0.5745 0.3335 0.5898 0.1043 -0.0103 0.0255 979 ALA B N 2277 C CA . ALA B 100 ? 0.5522 0.3061 0.5433 0.1199 -0.0127 0.0368 979 ALA B CA 2278 C C . ALA B 100 ? 0.5747 0.3408 0.6040 0.1167 -0.0005 0.0364 979 ALA B C 2279 O O . ALA B 100 ? 0.5415 0.3065 0.5831 0.1004 0.0227 0.0401 979 ALA B O 2280 C CB . ALA B 100 ? 0.5505 0.2797 0.4879 0.1206 -0.0002 0.0559 979 ALA B CB 2281 N N . THR B 101 ? 0.5595 0.3391 0.6094 0.1329 -0.0175 0.0300 980 THR B N 2282 C CA . THR B 101 ? 0.5507 0.3450 0.6409 0.1359 -0.0105 0.0257 980 THR B CA 2283 C C . THR B 101 ? 0.6079 0.3807 0.6711 0.1343 0.0105 0.0414 980 THR B C 2284 O O . THR B 101 ? 0.6218 0.3691 0.6345 0.1381 0.0108 0.0574 980 THR B O 2285 C CB . THR B 101 ? 0.6741 0.4801 0.7806 0.1589 -0.0383 0.0195 980 THR B CB 2286 O OG1 . THR B 101 ? 0.7022 0.4846 0.7532 0.1738 -0.0530 0.0348 980 THR B OG1 2287 C CG2 . THR B 101 ? 0.6467 0.4816 0.7963 0.1602 -0.0596 -0.0007 980 THR B CG2 2288 N N . PHE B 102 ? 0.5480 0.3326 0.6453 0.1281 0.0286 0.0354 981 PHE B N 2289 C CA . PHE B 102 ? 0.5464 0.3121 0.6226 0.1262 0.0479 0.0459 981 PHE B CA 2290 C C . PHE B 102 ? 0.5917 0.3388 0.6494 0.1473 0.0332 0.0549 981 PHE B C 2291 O O . PHE B 102 ? 0.5962 0.3497 0.6646 0.1649 0.0085 0.0520 981 PHE B O 2292 C CB . PHE B 102 ? 0.5668 0.3534 0.6858 0.1169 0.0698 0.0332 981 PHE B CB 2293 C CG . PHE B 102 ? 0.5633 0.3679 0.7019 0.0937 0.0877 0.0274 981 PHE B CG 2294 C CD1 . PHE B 102 ? 0.5758 0.3640 0.6800 0.0782 0.0940 0.0390 981 PHE B CD1 2295 C CD2 . PHE B 102 ? 0.5969 0.4347 0.7896 0.0870 0.0993 0.0114 981 PHE B CD2 2296 C CE1 . PHE B 102 ? 0.5884 0.3888 0.7099 0.0565 0.1093 0.0369 981 PHE B CE1 2297 C CE2 . PHE B 102 ? 0.6315 0.4845 0.8410 0.0633 0.1170 0.0095 981 PHE B CE2 2298 C CZ . PHE B 102 ? 0.5979 0.4296 0.7701 0.0480 0.1211 0.0235 981 PHE B CZ 2299 N N . GLU B 103 ? 0.5486 0.2713 0.5783 0.1451 0.0471 0.0667 982 GLU B N 2300 C CA . GLU B 103 ? 0.5663 0.2676 0.5832 0.1627 0.0356 0.0764 982 GLU B CA 2301 C C . GLU B 103 ? 0.6268 0.3464 0.6983 0.1728 0.0364 0.0587 982 GLU B C 2302 O O . GLU B 103 ? 0.6189 0.3652 0.7273 0.1621 0.0524 0.0421 982 GLU B O 2303 C CB . GLU B 103 ? 0.5771 0.2482 0.5562 0.1543 0.0520 0.0913 982 GLU B CB 2304 C CG . GLU B 103 ? 0.6536 0.3069 0.5816 0.1463 0.0523 0.1095 982 GLU B CG 2305 C CD . GLU B 103 ? 0.9947 0.6187 0.8894 0.1402 0.0638 0.1254 982 GLU B CD 2306 O OE1 . GLU B 103 ? 0.8549 0.4694 0.7640 0.1402 0.0731 0.1210 982 GLU B OE1 2307 O OE2 . GLU B 103 ? 1.0942 0.7058 0.9504 0.1357 0.0633 0.1410 982 GLU B OE2 2308 N N . LEU B 104 ? 0.3486 0.4712 0.4879 0.0936 -0.0306 0.0471 983 LEU B N 2309 C CA . LEU B 104 ? 0.3142 0.4533 0.4295 0.0849 -0.0365 0.0519 983 LEU B CA 2310 C C . LEU B 104 ? 0.4033 0.5635 0.5116 0.0846 -0.0294 0.0407 983 LEU B C 2311 O O . LEU B 104 ? 0.4242 0.5780 0.5364 0.0888 -0.0199 0.0290 983 LEU B O 2312 C CB . LEU B 104 ? 0.3079 0.4191 0.3997 0.0781 -0.0369 0.0442 983 LEU B CB 2313 C CG . LEU B 104 ? 0.2982 0.4253 0.3812 0.0712 -0.0415 0.0489 983 LEU B CG 2314 C CD1 . LEU B 104 ? 0.2941 0.4399 0.3885 0.0670 -0.0498 0.0671 983 LEU B CD1 2315 C CD2 . LEU B 104 ? 0.2466 0.3485 0.3133 0.0641 -0.0448 0.0443 983 LEU B CD2 2316 N N . VAL B 105 ? 0.3353 0.5229 0.4371 0.0785 -0.0318 0.0422 984 VAL B N 2317 C CA . VAL B 105 ? 0.2918 0.4966 0.3911 0.0759 -0.0250 0.0273 984 VAL B CA 2318 C C . VAL B 105 ? 0.3292 0.5044 0.4212 0.0769 -0.0177 0.0151 984 VAL B C 2319 O O . VAL B 105 ? 0.3392 0.4896 0.4208 0.0753 -0.0205 0.0187 984 VAL B O 2320 C CB . VAL B 105 ? 0.2925 0.5265 0.3874 0.0674 -0.0248 0.0244 984 VAL B CB 2321 C CG1 . VAL B 105 ? 0.2698 0.4899 0.3678 0.0668 -0.0189 0.0132 984 VAL B CG1 2322 C CG2 . VAL B 105 ? 0.2894 0.5591 0.3841 0.0602 -0.0232 0.0149 984 VAL B CG2 2323 N N . PRO B 106 ? 0.2525 0.4306 0.3491 0.0760 -0.0109 0.0044 985 PRO B N 2324 C CA . PRO B 106 ? 0.2387 0.3922 0.3276 0.0722 -0.0071 0.0015 985 PRO B CA 2325 C C . PRO B 106 ? 0.3314 0.4794 0.4259 0.0686 -0.0129 0.0044 985 PRO B C 2326 O O . PRO B 106 ? 0.3470 0.5150 0.4570 0.0692 -0.0121 -0.0018 985 PRO B O 2327 C CB . PRO B 106 ? 0.2386 0.4028 0.3400 0.0700 -0.0001 -0.0069 985 PRO B CB 2328 C CG . PRO B 106 ? 0.2889 0.4813 0.4024 0.0736 -0.0007 -0.0088 985 PRO B CG 2329 C CD . PRO B 106 ? 0.2472 0.4533 0.3568 0.0743 -0.0090 -0.0023 985 PRO B CD 2330 N N . THR B 107 ? 0.2865 0.4113 0.3694 0.0632 -0.0189 0.0144 986 THR B N 2331 C CA . THR B 107 ? 0.2660 0.3864 0.3660 0.0599 -0.0280 0.0236 986 THR B CA 2332 C C . THR B 107 ? 0.3296 0.4376 0.4424 0.0522 -0.0333 0.0337 986 THR B C 2333 O O . THR B 107 ? 0.3533 0.4554 0.4858 0.0480 -0.0452 0.0488 986 THR B O 2334 C CB . THR B 107 ? 0.3172 0.4284 0.4028 0.0570 -0.0380 0.0343 986 THR B CB 2335 O OG1 . THR B 107 ? 0.3714 0.4615 0.4223 0.0484 -0.0407 0.0372 986 THR B OG1 2336 C CG2 . THR B 107 ? 0.2787 0.4057 0.3655 0.0632 -0.0349 0.0309 986 THR B CG2 2337 N N . SER B 108 ? 0.2911 0.3980 0.3992 0.0491 -0.0261 0.0298 987 SER B N 2338 C CA . SER B 108 ? 0.2845 0.3819 0.4038 0.0384 -0.0309 0.0443 987 SER B CA 2339 C C . SER B 108 ? 0.3628 0.4703 0.5076 0.0418 -0.0193 0.0292 987 SER B C 2340 O O . SER B 108 ? 0.3551 0.4764 0.4887 0.0477 -0.0088 0.0124 987 SER B O 2341 C CB . SER B 108 ? 0.3052 0.3928 0.3758 0.0234 -0.0321 0.0558 987 SER B CB 2342 O OG . SER B 108 ? 0.4582 0.5461 0.5253 0.0107 -0.0284 0.0657 987 SER B OG 2343 N N . PRO B 109 ? 0.3437 0.4456 0.5312 0.0379 -0.0229 0.0350 988 PRO B N 2344 C CA . PRO B 109 ? 0.3416 0.4518 0.5533 0.0381 -0.0129 0.0177 988 PRO B CA 2345 C C . PRO B 109 ? 0.4308 0.5415 0.6212 0.0267 -0.0084 0.0288 988 PRO B C 2346 O O . PRO B 109 ? 0.4597 0.5621 0.6215 0.0152 -0.0134 0.0520 988 PRO B O 2347 C CB . PRO B 109 ? 0.3509 0.4489 0.6266 0.0371 -0.0187 0.0206 988 PRO B CB 2348 C CG . PRO B 109 ? 0.4029 0.4857 0.6820 0.0298 -0.0357 0.0565 988 PRO B CG 2349 C CD . PRO B 109 ? 0.3560 0.4435 0.5799 0.0314 -0.0386 0.0607 988 PRO B CD 2350 N N . PRO B 110 ? 0.3784 0.5020 0.5842 0.0259 0.0009 0.0132 989 PRO B N 2351 C CA . PRO B 110 ? 0.3897 0.5177 0.5868 0.0135 0.0074 0.0251 989 PRO B CA 2352 C C . PRO B 110 ? 0.4761 0.5871 0.6888 -0.0026 -0.0030 0.0565 989 PRO B C 2353 O O . PRO B 110 ? 0.4679 0.5639 0.7261 -0.0016 -0.0146 0.0630 989 PRO B O 2354 C CB . PRO B 110 ? 0.3899 0.5339 0.6196 0.0140 0.0132 0.0043 989 PRO B CB 2355 C CG . PRO B 110 ? 0.4196 0.5758 0.6470 0.0264 0.0127 -0.0200 989 PRO B CG 2356 C CD . PRO B 110 ? 0.3723 0.5114 0.6026 0.0321 0.0056 -0.0157 989 PRO B CD 2357 N N . LYS B 111 ? 0.4651 0.5805 0.6417 -0.0186 0.0013 0.0771 990 LYS B N 2358 C CA . LYS B 111 ? 0.4938 0.6004 0.6740 -0.0408 -0.0110 0.1159 990 LYS B CA 2359 C C . LYS B 111 ? 0.5647 0.6770 0.7809 -0.0546 -0.0068 0.1272 990 LYS B C 2360 O O . LYS B 111 ? 0.5509 0.6777 0.7777 -0.0492 0.0082 0.1039 990 LYS B O 2361 C CB . LYS B 111 ? 0.5415 0.6564 0.6508 -0.0584 -0.0067 0.1308 990 LYS B CB 2362 C CG . LYS B 111 ? 0.6391 0.7448 0.7133 -0.0537 -0.0171 0.1293 990 LYS B CG 2363 C CD . LYS B 111 ? 0.7836 0.8992 0.7847 -0.0657 -0.0015 0.1185 990 LYS B CD 2364 C CE . LYS B 111 ? 0.8968 1.0192 0.8500 -0.1012 -0.0097 0.1513 990 LYS B CE 2365 N NZ . LYS B 111 ? 0.8895 1.0002 0.8383 -0.1115 -0.0416 0.1811 990 LYS B NZ 2366 N N . ASP B 112 ? 0.5564 0.6591 0.7948 -0.0748 -0.0228 0.1679 991 ASP B N 2367 C CA . ASP B 112 ? 0.5764 0.6830 0.8471 -0.0957 -0.0232 0.1932 991 ASP B CA 2368 C C . ASP B 112 ? 0.5881 0.6954 0.9138 -0.0865 -0.0135 0.1646 991 ASP B C 2369 O O . ASP B 112 ? 0.5907 0.7179 0.9121 -0.0982 0.0008 0.1641 991 ASP B O 2370 C CB . ASP B 112 ? 0.6362 0.7690 0.8399 -0.1223 -0.0096 0.2142 991 ASP B CB 2371 C CG . ASP B 112 ? 0.8540 0.9907 0.9874 -0.1354 -0.0164 0.2316 991 ASP B CG 2372 O OD1 . ASP B 112 ? 0.9059 1.0272 1.0551 -0.1431 -0.0447 0.2657 991 ASP B OD1 2373 O OD2 . ASP B 112 ? 0.9172 1.0725 0.9854 -0.1384 0.0061 0.2094 991 ASP B OD2 2374 N N . VAL B 113 ? 0.5133 0.6017 0.8915 -0.0679 -0.0205 0.1389 992 VAL B N 2375 C CA . VAL B 113 ? 0.4927 0.5806 0.9215 -0.0625 -0.0140 0.1053 992 VAL B CA 2376 C C . VAL B 113 ? 0.6058 0.6791 1.1006 -0.0824 -0.0231 0.1317 992 VAL B C 2377 O O . VAL B 113 ? 0.6271 0.6741 1.1737 -0.0868 -0.0404 0.1596 992 VAL B O 2378 C CB . VAL B 113 ? 0.5051 0.5807 0.9635 -0.0417 -0.0152 0.0655 992 VAL B CB 2379 C CG1 . VAL B 113 ? 0.4978 0.5740 1.0043 -0.0434 -0.0095 0.0281 992 VAL B CG1 2380 C CG2 . VAL B 113 ? 0.4751 0.5680 0.8714 -0.0250 -0.0073 0.0440 992 VAL B CG2 2381 N N . THR B 114 ? 0.5801 0.6711 1.0822 -0.0947 -0.0130 0.1256 993 THR B N 2382 C CA . THR B 114 ? 0.6122 0.6914 1.1801 -0.1162 -0.0206 0.1496 993 THR B CA 2383 C C . THR B 114 ? 0.6700 0.7543 1.2806 -0.1169 -0.0140 0.1082 993 THR B C 2384 O O . THR B 114 ? 0.6597 0.7697 1.2339 -0.1062 -0.0025 0.0720 993 THR B O 2385 C CB . THR B 114 ? 0.6954 0.7968 1.2295 -0.1422 -0.0169 0.1984 993 THR B CB 2386 O OG1 . THR B 114 ? 0.6807 0.8206 1.1648 -0.1414 0.0059 0.1776 993 THR B OG1 2387 C CG2 . THR B 114 ? 0.6875 0.7871 1.1742 -0.1496 -0.0267 0.2402 993 THR B CG2 2388 N N . VAL B 115 ? 0.6385 0.6980 1.3305 -0.1312 -0.0239 0.1147 994 VAL B N 2389 C CA . VAL B 115 ? 0.6365 0.6975 1.3755 -0.1387 -0.0209 0.0757 994 VAL B CA 2390 C C . VAL B 115 ? 0.7167 0.7726 1.5122 -0.1671 -0.0273 0.1131 994 VAL B C 2391 O O . VAL B 115 ? 0.7444 0.7715 1.5891 -0.1777 -0.0410 0.1561 994 VAL B O 2392 C CB . VAL B 115 ? 0.6885 0.7187 1.4826 -0.1272 -0.0238 0.0235 994 VAL B CB 2393 C CG1 . VAL B 115 ? 0.6942 0.7363 1.5124 -0.1391 -0.0199 -0.0244 994 VAL B CG1 2394 C CG2 . VAL B 115 ? 0.6545 0.6889 1.3998 -0.1018 -0.0179 -0.0043 994 VAL B CG2 2395 N N . VAL B 116 ? 0.6698 0.7556 1.4654 -0.1808 -0.0196 0.1006 995 VAL B N 2396 C CA . VAL B 116 ? 0.7054 0.7917 1.5574 -0.2103 -0.0241 0.1336 995 VAL B CA 2397 C C . VAL B 116 ? 0.7821 0.8748 1.6787 -0.2201 -0.0247 0.0880 995 VAL B C 2398 O O . VAL B 116 ? 0.7576 0.8768 1.6150 -0.2082 -0.0183 0.0433 995 VAL B O 2399 C CB . VAL B 116 ? 0.7535 0.8822 1.5574 -0.2271 -0.0119 0.1830 995 VAL B CB 2400 C CG1 . VAL B 116 ? 0.7681 0.8887 1.5334 -0.2291 -0.0158 0.2335 995 VAL B CG1 2401 C CG2 . VAL B 116 ? 0.7135 0.8929 1.4541 -0.2155 0.0081 0.1553 995 VAL B CG2 2402 N N . SER B 117 ? 0.7797 0.8505 1.7584 -0.2447 -0.0348 0.1017 996 SER B N 2403 C CA . SER B 117 ? 0.7885 0.8672 1.8100 -0.2599 -0.0374 0.0588 996 SER B CA 2404 C C . SER B 117 ? 0.8469 0.9850 1.8372 -0.2739 -0.0278 0.0780 996 SER B C 2405 O O . SER B 117 ? 0.8559 1.0132 1.8300 -0.2835 -0.0200 0.1327 996 SER B O 2406 C CB . SER B 117 ? 0.8570 0.8871 1.9862 -0.2819 -0.0516 0.0633 996 SER B CB 2407 O OG . SER B 117 ? 0.9155 0.9167 2.0800 -0.2765 -0.0543 -0.0071 996 SER B OG 2408 N N . LYS B 118 ? 0.7928 0.9658 1.7713 -0.2754 -0.0272 0.0344 997 LYS B N 2409 C CA . LYS B 118 ? 0.7782 1.0118 1.7452 -0.2872 -0.0187 0.0512 997 LYS B CA 2410 C C . LYS B 118 ? 0.8933 1.1263 1.9376 -0.3222 -0.0241 0.0816 997 LYS B C 2411 O O . LYS B 118 ? 0.9161 1.1111 2.0277 -0.3395 -0.0397 0.0606 997 LYS B O 2412 C CB . LYS B 118 ? 0.7759 1.0486 1.7198 -0.2815 -0.0237 0.0029 997 LYS B CB 2413 C CG . LYS B 118 ? 0.8702 1.2063 1.8325 -0.2970 -0.0212 0.0152 997 LYS B CG 2414 C CD . LYS B 118 ? 0.8929 1.2770 1.8083 -0.2781 0.0005 0.0440 997 LYS B CD 2415 C CE . LYS B 118 ? 0.8789 1.3285 1.8292 -0.2908 0.0046 0.0542 997 LYS B CE 2416 N NZ . LYS B 118 ? 0.8477 1.3390 1.7686 -0.2736 0.0329 0.0812 997 LYS B NZ 2417 N N . GLU B 119 ? 0.8698 1.1445 1.9063 -0.3337 -0.0088 0.1298 998 GLU B N 2418 C CA . GLU B 119 ? 0.9087 1.1972 2.0104 -0.3688 -0.0091 0.1688 998 GLU B CA 2419 C C . GLU B 119 ? 0.9606 1.2498 2.1328 -0.3908 -0.0270 0.1333 998 GLU B C 2420 O O . GLU B 119 ? 0.9325 1.2651 2.0919 -0.3871 -0.0282 0.1007 998 GLU B O 2421 C CB . GLU B 119 ? 0.9180 1.2737 1.9868 -0.3731 0.0175 0.2043 998 GLU B CB 2422 C CG . GLU B 119 ? 1.0989 1.4699 2.2177 -0.4103 0.0238 0.2607 998 GLU B CG 2423 C CD . GLU B 119 ? 1.2676 1.6753 2.3297 -0.4145 0.0527 0.3085 998 GLU B CD 2424 O OE1 . GLU B 119 ? 1.0114 1.3999 2.0054 -0.3950 0.0577 0.3130 998 GLU B OE1 2425 O OE2 . GLU B 119 ? 1.0820 1.5414 2.1677 -0.4401 0.0716 0.3398 998 GLU B OE2 2426 N N . GLY B 120 ? 0.9477 1.1868 2.1961 -0.4140 -0.0434 0.1393 999 GLY B N 2427 C CA . GLY B 120 ? 0.9709 1.1991 2.2942 -0.4406 -0.0619 0.1040 999 GLY B CA 2428 C C . GLY B 120 ? 1.0099 1.2317 2.3159 -0.4317 -0.0738 0.0271 999 GLY B C 2429 O O . GLY B 120 ? 1.0294 1.2605 2.3822 -0.4580 -0.0885 -0.0051 999 GLY B O 2430 N N . LYS B 121 ? 0.9344 1.1442 2.1711 -0.3985 -0.0683 -0.0021 1000 LYS B N 2431 C CA . LYS B 121 ? 0.9232 1.1332 2.1261 -0.3900 -0.0764 -0.0722 1000 LYS B CA 2432 C C . LYS B 121 ? 0.9531 1.1024 2.1440 -0.3664 -0.0723 -0.0966 1000 LYS B C 2433 O O . LYS B 121 ? 0.9078 1.0653 2.0283 -0.3362 -0.0623 -0.0956 1000 LYS B O 2434 C CB . LYS B 121 ? 0.9119 1.1907 2.0389 -0.3734 -0.0716 -0.0749 1000 LYS B CB 2435 C CG . LYS B 121 ? 1.0928 1.4332 2.2510 -0.3991 -0.0805 -0.0655 1000 LYS B CG 2436 C CD . LYS B 121 ? 1.1984 1.6083 2.3050 -0.3806 -0.0743 -0.0517 1000 LYS B CD 2437 C CE . LYS B 121 ? 1.3679 1.8402 2.5258 -0.4051 -0.0806 -0.0305 1000 LYS B CE 2438 N NZ . LYS B 121 ? 1.4614 2.0026 2.5883 -0.3884 -0.0809 -0.0253 1000 LYS B NZ 2439 N N . PRO B 122 ? 0.9395 1.0265 2.2109 -0.3805 -0.0794 -0.1155 1001 PRO B N 2440 C CA . PRO B 122 ? 0.9439 0.9717 2.2292 -0.3578 -0.0743 -0.1321 1001 PRO B CA 2441 C C . PRO B 122 ? 0.9692 0.9963 2.1977 -0.3369 -0.0669 -0.1979 1001 PRO B C 2442 O O . PRO B 122 ? 0.9561 0.9495 2.1806 -0.3115 -0.0589 -0.1977 1001 PRO B O 2443 C CB . PRO B 122 ? 1.0256 0.9919 2.4293 -0.3815 -0.0841 -0.1435 1001 PRO B CB 2444 C CG . PRO B 122 ? 1.1034 1.0975 2.5327 -0.4169 -0.0944 -0.1697 1001 PRO B CG 2445 C CD . PRO B 122 ? 1.0004 1.0661 2.3675 -0.4175 -0.0922 -0.1178 1001 PRO B CD 2446 N N . ARG B 123 ? 0.9218 0.9879 2.1111 -0.3510 -0.0710 -0.2517 1002 ARG B N 2447 C CA . ARG B 123 ? 0.9104 0.9868 2.0380 -0.3396 -0.0644 -0.3150 1002 ARG B CA 2448 C C . ARG B 123 ? 0.8696 0.9956 1.8991 -0.3129 -0.0593 -0.2868 1002 ARG B C 2449 O O . ARG B 123 ? 0.8461 0.9874 1.8157 -0.3018 -0.0542 -0.3262 1002 ARG B O 2450 C CB . ARG B 123 ? 0.9702 1.0689 2.0986 -0.3746 -0.0747 -0.3825 1002 ARG B CB 2451 C CG . ARG B 123 ? 1.1765 1.2155 2.4039 -0.3998 -0.0754 -0.4298 1002 ARG B CG 2452 C CD . ARG B 123 ? 1.3382 1.4010 2.5574 -0.4392 -0.0854 -0.5025 1002 ARG B CD 2453 N NE . ARG B 123 ? 1.3885 1.4699 2.5331 -0.4359 -0.0745 -0.5695 1002 ARG B NE 2454 C CZ . ARG B 123 ? 1.4390 1.5116 2.5903 -0.4667 -0.0711 -0.6569 1002 ARG B CZ 2455 N NH1 . ARG B 123 ? 1.2669 1.3062 2.5019 -0.5010 -0.0788 -0.6901 1002 ARG B NH1 2456 N NH2 . ARG B 123 ? 1.1084 1.2062 2.1827 -0.4661 -0.0585 -0.7133 1002 ARG B NH2 2457 N N . THR B 124 ? 0.7856 0.9368 1.8020 -0.3042 -0.0589 -0.2186 1003 THR B N 2458 C CA . THR B 124 ? 0.7279 0.9212 1.6656 -0.2785 -0.0518 -0.1855 1003 THR B CA 2459 C C . THR B 124 ? 0.7661 0.9307 1.6963 -0.2546 -0.0405 -0.1354 1003 THR B C 2460 O O . THR B 124 ? 0.7863 0.9219 1.7707 -0.2639 -0.0411 -0.0970 1003 THR B O 2461 C CB . THR B 124 ? 0.7417 0.9969 1.6686 -0.2896 -0.0568 -0.1555 1003 THR B CB 2462 O OG1 . THR B 124 ? 0.8172 1.1014 1.7598 -0.3179 -0.0732 -0.1951 1003 THR B OG1 2463 C CG2 . THR B 124 ? 0.5912 0.8881 1.4471 -0.2633 -0.0491 -0.1347 1003 THR B CG2 2464 N N . ILE B 125 ? 0.6830 0.8592 1.5444 -0.2270 -0.0324 -0.1326 1004 ILE B N 2465 C CA . ILE B 125 ? 0.6546 0.8112 1.4937 -0.2060 -0.0237 -0.0886 1004 ILE B CA 2466 C C . ILE B 125 ? 0.6439 0.8451 1.4102 -0.1887 -0.0148 -0.0656 1004 ILE B C 2467 O O . ILE B 125 ? 0.6333 0.8728 1.3652 -0.1850 -0.0167 -0.0895 1004 ILE B O 2468 C CB . ILE B 125 ? 0.7019 0.8130 1.5470 -0.1883 -0.0220 -0.1113 1004 ILE B CB 2469 C CG1 . ILE B 125 ? 0.6961 0.8257 1.4917 -0.1774 -0.0190 -0.1662 1004 ILE B CG1 2470 C CG2 . ILE B 125 ? 0.7477 0.8052 1.6871 -0.2021 -0.0281 -0.1202 1004 ILE B CG2 2471 C CD1 . ILE B 125 ? 0.7601 0.8767 1.5157 -0.1502 -0.0115 -0.1648 1004 ILE B CD1 2472 N N . ILE B 126 ? 0.5675 0.7640 1.3132 -0.1805 -0.0060 -0.0193 1005 ILE B N 2473 C CA . ILE B 126 ? 0.5289 0.7585 1.2096 -0.1632 0.0064 -0.0012 1005 ILE B CA 2474 C C . ILE B 126 ? 0.5985 0.7960 1.2429 -0.1440 0.0081 0.0087 1005 ILE B C 2475 O O . ILE B 126 ? 0.6225 0.7871 1.2914 -0.1507 0.0039 0.0373 1005 ILE B O 2476 C CB . ILE B 126 ? 0.5561 0.8187 1.2388 -0.1759 0.0197 0.0393 1005 ILE B CB 2477 C CG1 . ILE B 126 ? 0.5514 0.8516 1.2772 -0.1936 0.0167 0.0290 1005 ILE B CG1 2478 C CG2 . ILE B 126 ? 0.5280 0.8169 1.1469 -0.1568 0.0374 0.0514 1005 ILE B CG2 2479 C CD1 . ILE B 126 ? 0.6086 0.9356 1.3601 -0.2130 0.0298 0.0673 1005 ILE B CD1 2480 N N . VAL B 127 ? 0.5269 0.7360 1.1186 -0.1224 0.0113 -0.0111 1006 VAL B N 2481 C CA . VAL B 127 ? 0.5031 0.6887 1.0570 -0.1037 0.0123 -0.0052 1006 VAL B CA 2482 C C . VAL B 127 ? 0.5206 0.7299 1.0173 -0.0941 0.0250 0.0179 1006 VAL B C 2483 O O . VAL B 127 ? 0.4975 0.7417 0.9736 -0.0871 0.0322 0.0071 1006 VAL B O 2484 C CB . VAL B 127 ? 0.5325 0.7131 1.0719 -0.0887 0.0078 -0.0475 1006 VAL B CB 2485 C CG1 . VAL B 127 ? 0.5155 0.6677 1.0352 -0.0723 0.0073 -0.0397 1006 VAL B CG1 2486 C CG2 . VAL B 127 ? 0.5513 0.7206 1.1421 -0.1023 0.0009 -0.0862 1006 VAL B CG2 2487 N N . ASN B 128 ? 0.4769 0.6677 0.9520 -0.0950 0.0266 0.0487 1007 ASN B N 2488 C CA . ASN B 128 ? 0.4583 0.6671 0.8754 -0.0895 0.0408 0.0647 1007 ASN B CA 2489 C C . ASN B 128 ? 0.4797 0.6637 0.8600 -0.0763 0.0340 0.0680 1007 ASN B C 2490 O O . ASN B 128 ? 0.4970 0.6503 0.9058 -0.0768 0.0190 0.0739 1007 ASN B O 2491 C CB . ASN B 128 ? 0.4885 0.7088 0.9032 -0.1129 0.0507 0.1021 1007 ASN B CB 2492 C CG . ASN B 128 ? 0.7610 1.0227 1.1893 -0.1204 0.0686 0.0976 1007 ASN B CG 2493 O OD1 . ASN B 128 ? 0.8381 1.1277 1.2346 -0.1112 0.0879 0.0886 1007 ASN B OD1 2494 N ND2 . ASN B 128 ? 0.5068 0.7733 0.9913 -0.1374 0.0629 0.1029 1007 ASN B ND2 2495 N N . TRP B 129 ? 0.3856 0.5826 0.7119 -0.0642 0.0447 0.0629 1008 TRP B N 2496 C CA . TRP B 129 ? 0.3769 0.5544 0.6638 -0.0536 0.0386 0.0663 1008 TRP B CA 2497 C C . TRP B 129 ? 0.4513 0.6451 0.6816 -0.0512 0.0556 0.0666 1008 TRP B C 2498 O O . TRP B 129 ? 0.4569 0.6776 0.6850 -0.0554 0.0747 0.0622 1008 TRP B O 2499 C CB . TRP B 129 ? 0.3391 0.5059 0.6366 -0.0336 0.0285 0.0378 1008 TRP B CB 2500 C CG . TRP B 129 ? 0.3265 0.5194 0.6142 -0.0203 0.0356 0.0112 1008 TRP B CG 2501 C CD1 . TRP B 129 ? 0.3518 0.5536 0.6028 -0.0061 0.0413 0.0044 1008 TRP B CD1 2502 C CD2 . TRP B 129 ? 0.3168 0.5327 0.6369 -0.0232 0.0353 -0.0066 1008 TRP B CD2 2503 N NE1 . TRP B 129 ? 0.3357 0.5652 0.5994 0.0011 0.0431 -0.0118 1008 TRP B NE1 2504 C CE2 . TRP B 129 ? 0.3566 0.5978 0.6590 -0.0102 0.0385 -0.0185 1008 TRP B CE2 2505 C CE3 . TRP B 129 ? 0.3457 0.5636 0.7120 -0.0378 0.0303 -0.0123 1008 TRP B CE3 2506 C CZ2 . TRP B 129 ? 0.3395 0.6122 0.6665 -0.0124 0.0335 -0.0323 1008 TRP B CZ2 2507 C CZ3 . TRP B 129 ? 0.3588 0.6064 0.7444 -0.0409 0.0274 -0.0319 1008 TRP B CZ3 2508 C CH2 . TRP B 129 ? 0.3480 0.6252 0.7127 -0.0290 0.0278 -0.0394 1008 TRP B CH2 2509 N N . GLN B 130 ? 0.4251 0.6027 0.6158 -0.0451 0.0498 0.0693 1009 GLN B N 2510 C CA . GLN B 130 ? 0.4267 0.6117 0.5632 -0.0438 0.0647 0.0633 1009 GLN B CA 2511 C C . GLN B 130 ? 0.4452 0.6201 0.5720 -0.0205 0.0583 0.0421 1009 GLN B C 2512 O O . GLN B 130 ? 0.4153 0.5755 0.5633 -0.0116 0.0409 0.0405 1009 GLN B O 2513 C CB . GLN B 130 ? 0.4836 0.6595 0.5758 -0.0675 0.0596 0.0920 1009 GLN B CB 2514 C CG . GLN B 130 ? 0.4055 0.6015 0.4873 -0.0964 0.0725 0.1151 1009 GLN B CG 2515 C CD . GLN B 130 ? 0.7893 1.0161 0.8686 -0.0949 0.1053 0.0920 1009 GLN B CD 2516 O OE1 . GLN B 130 ? 0.7532 0.9875 0.8015 -0.0864 0.1250 0.0665 1009 GLN B OE1 2517 N NE2 . GLN B 130 ? 0.8017 1.0466 0.9246 -0.1022 0.1118 0.0993 1009 GLN B NE2 2518 N N . PRO B 131 ? 0.3948 0.5774 0.4955 -0.0113 0.0737 0.0250 1010 PRO B N 2519 C CA . PRO B 131 ? 0.3673 0.5403 0.4640 0.0086 0.0655 0.0106 1010 PRO B CA 2520 C C . PRO B 131 ? 0.4592 0.6078 0.5281 0.0049 0.0487 0.0218 1010 PRO B C 2521 O O . PRO B 131 ? 0.5083 0.6492 0.5473 -0.0142 0.0464 0.0391 1010 PRO B O 2522 C CB . PRO B 131 ? 0.3889 0.5715 0.4735 0.0158 0.0869 -0.0066 1010 PRO B CB 2523 C CG . PRO B 131 ? 0.4547 0.6589 0.5476 0.0040 0.1090 -0.0071 1010 PRO B CG 2524 C CD . PRO B 131 ? 0.4218 0.6225 0.5032 -0.0187 0.1010 0.0165 1010 PRO B CD 2525 N N . PRO B 132 ? 0.3840 0.5245 0.4612 0.0197 0.0360 0.0152 1011 PRO B N 2526 C CA . PRO B 132 ? 0.3958 0.5170 0.4551 0.0158 0.0200 0.0276 1011 PRO B CA 2527 C C . PRO B 132 ? 0.5067 0.6186 0.5167 0.0063 0.0247 0.0272 1011 PRO B C 2528 O O . PRO B 132 ? 0.5177 0.6351 0.5142 0.0100 0.0430 0.0092 1011 PRO B O 2529 C CB . PRO B 132 ? 0.3838 0.5064 0.4645 0.0331 0.0118 0.0168 1011 PRO B CB 2530 C CG . PRO B 132 ? 0.4104 0.5518 0.5022 0.0442 0.0225 0.0006 1011 PRO B CG 2531 C CD . PRO B 132 ? 0.3631 0.5166 0.4666 0.0368 0.0342 0.0003 1011 PRO B CD 2532 N N . SER B 133 ? 0.4962 0.5952 0.4844 -0.0077 0.0079 0.0463 1012 SER B N 2533 C CA . SER B 133 ? 0.5142 0.6046 0.4499 -0.0230 0.0080 0.0447 1012 SER B CA 2534 C C . SER B 133 ? 0.5330 0.6144 0.4691 -0.0058 0.0107 0.0232 1012 SER B C 2535 O O . SER B 133 ? 0.5836 0.6615 0.4960 -0.0074 0.0276 0.0021 1012 SER B O 2536 C CB . SER B 133 ? 0.5829 0.6661 0.5055 -0.0424 -0.0184 0.0760 1012 SER B CB 2537 O OG . SER B 133 ? 0.7870 0.8781 0.7143 -0.0611 -0.0243 0.1034 1012 SER B OG 2538 N N . GLU B 134 ? 0.4161 0.4957 0.3857 0.0105 -0.0030 0.0274 1013 GLU B N 2539 C CA . GLU B 134 ? 0.3821 0.4568 0.3590 0.0248 -0.0041 0.0157 1013 GLU B CA 2540 C C . GLU B 134 ? 0.4373 0.5276 0.4486 0.0439 0.0053 0.0049 1013 GLU B C 2541 O O . GLU B 134 ? 0.4395 0.5395 0.4752 0.0535 -0.0029 0.0082 1013 GLU B O 2542 C CB . GLU B 134 ? 0.3755 0.4455 0.3639 0.0249 -0.0251 0.0307 1013 GLU B CB 2543 C CG . GLU B 134 ? 0.3704 0.4289 0.3291 0.0036 -0.0412 0.0470 1013 GLU B CG 2544 C CD . GLU B 134 ? 0.5524 0.6139 0.5423 0.0021 -0.0632 0.0708 1013 GLU B CD 2545 O OE1 . GLU B 134 ? 0.3493 0.4179 0.3749 0.0176 -0.0642 0.0679 1013 GLU B OE1 2546 O OE2 . GLU B 134 ? 0.6815 0.7415 0.6635 -0.0164 -0.0794 0.0944 1013 GLU B OE2 2547 N N . ALA B 135 ? 0.3964 0.4936 0.4105 0.0471 0.0230 -0.0079 1014 ALA B N 2548 C CA . ALA B 135 ? 0.3688 0.4854 0.4190 0.0625 0.0284 -0.0136 1014 ALA B CA 2549 C C . ALA B 135 ? 0.4389 0.5528 0.5028 0.0740 0.0214 -0.0128 1014 ALA B C 2550 O O . ALA B 135 ? 0.4544 0.5885 0.5425 0.0816 0.0137 -0.0062 1014 ALA B O 2551 C CB . ALA B 135 ? 0.3795 0.5062 0.4403 0.0631 0.0487 -0.0247 1014 ALA B CB 2552 N N . ASN B 136 ? 0.3818 0.4721 0.4292 0.0714 0.0227 -0.0184 1015 ASN B N 2553 C CA . ASN B 136 ? 0.3787 0.4597 0.4418 0.0789 0.0145 -0.0145 1015 ASN B CA 2554 C C . ASN B 136 ? 0.4504 0.5437 0.5603 0.0937 0.0178 -0.0120 1015 ASN B C 2555 O O . ASN B 136 ? 0.4509 0.5407 0.5827 0.0990 0.0066 0.0001 1015 ASN B O 2556 C CB . ASN B 136 ? 0.3848 0.4718 0.4444 0.0766 -0.0043 0.0023 1015 ASN B CB 2557 C CG . ASN B 136 ? 0.5513 0.6291 0.5835 0.0641 -0.0119 0.0061 1015 ASN B CG 2558 O OD1 . ASN B 136 ? 0.3953 0.4546 0.3984 0.0519 -0.0097 0.0002 1015 ASN B OD1 2559 N ND2 . ASN B 136 ? 0.3212 0.4150 0.3652 0.0650 -0.0210 0.0165 1015 ASN B ND2 2560 N N . GLY B 137 ? 0.4090 0.5185 0.5394 0.0986 0.0313 -0.0191 1016 GLY B N 2561 C CA . GLY B 137 ? 0.4002 0.5279 0.5862 0.1122 0.0329 -0.0128 1016 GLY B CA 2562 C C . GLY B 137 ? 0.4437 0.5949 0.6495 0.1139 0.0470 -0.0199 1016 GLY B C 2563 O O . GLY B 137 ? 0.4577 0.6094 0.6310 0.1034 0.0563 -0.0291 1016 GLY B O 2564 N N . LYS B 138 ? 0.3720 0.5445 0.6378 0.1258 0.0473 -0.0117 1017 LYS B N 2565 C CA . LYS B 138 ? 0.3481 0.5483 0.6436 0.1271 0.0600 -0.0162 1017 LYS B CA 2566 C C . LYS B 138 ? 0.3768 0.6052 0.6557 0.1174 0.0409 -0.0018 1017 LYS B C 2567 O O . LYS B 138 ? 0.3844 0.6305 0.6713 0.1169 0.0176 0.0181 1017 LYS B O 2568 C CB . LYS B 138 ? 0.3796 0.5965 0.7580 0.1435 0.0631 -0.0083 1017 LYS B CB 2569 C CG . LYS B 138 ? 0.4670 0.7169 0.8912 0.1461 0.0773 -0.0116 1017 LYS B CG 2570 C CD . LYS B 138 ? 0.5751 0.8372 1.0955 0.1651 0.0824 -0.0045 1017 LYS B CD 2571 C CE . LYS B 138 ? 0.7846 1.0769 1.3603 0.1695 0.1062 -0.0148 1017 LYS B CE 2572 N NZ . LYS B 138 ? 0.8244 1.1248 1.5087 0.1910 0.1172 -0.0127 1017 LYS B NZ 2573 N N . ILE B 139 ? 0.3036 0.5342 0.5547 0.1063 0.0510 -0.0128 1018 ILE B N 2574 C CA . ILE B 139 ? 0.2599 0.5112 0.4996 0.0950 0.0380 -0.0080 1018 ILE B CA 2575 C C . ILE B 139 ? 0.3407 0.6326 0.6296 0.0965 0.0281 0.0031 1018 ILE B C 2576 O O . ILE B 139 ? 0.3656 0.6719 0.6967 0.1015 0.0422 0.0013 1018 ILE B O 2577 C CB . ILE B 139 ? 0.2821 0.5231 0.4965 0.0827 0.0509 -0.0182 1018 ILE B CB 2578 C CG1 . ILE B 139 ? 0.2594 0.4654 0.4254 0.0769 0.0532 -0.0218 1018 ILE B CG1 2579 C CG2 . ILE B 139 ? 0.3071 0.5685 0.5282 0.0717 0.0385 -0.0170 1018 ILE B CG2 2580 C CD1 . ILE B 139 ? 0.1447 0.3409 0.2903 0.0764 0.0336 -0.0162 1018 ILE B CD1 2581 N N . THR B 140 ? 0.2728 0.5876 0.5574 0.0897 0.0044 0.0148 1019 THR B N 2582 C CA . THR B 140 ? 0.2562 0.6160 0.5812 0.0852 -0.0131 0.0305 1019 THR B CA 2583 C C . THR B 140 ? 0.3321 0.7141 0.6472 0.0670 -0.0188 0.0199 1019 THR B C 2584 O O . THR B 140 ? 0.3611 0.7841 0.7045 0.0576 -0.0358 0.0310 1019 THR B O 2585 C CB . THR B 140 ? 0.2467 0.6248 0.5767 0.0849 -0.0371 0.0549 1019 THR B CB 2586 O OG1 . THR B 140 ? 0.2543 0.6263 0.5288 0.0733 -0.0440 0.0481 1019 THR B OG1 2587 C CG2 . THR B 140 ? 0.2059 0.5626 0.5696 0.1034 -0.0326 0.0678 1019 THR B CG2 2588 N N . GLY B 141 ? 0.2787 0.6335 0.5598 0.0609 -0.0066 0.0001 1020 GLY B N 2589 C CA . GLY B 141 ? 0.2763 0.6408 0.5535 0.0439 -0.0094 -0.0145 1020 GLY B CA 2590 C C . GLY B 141 ? 0.3317 0.6646 0.5745 0.0386 -0.0039 -0.0318 1020 GLY B C 2591 O O . GLY B 141 ? 0.3397 0.6461 0.5580 0.0473 0.0006 -0.0301 1020 GLY B O 2592 N N . TYR B 142 ? 0.2698 0.6051 0.5194 0.0238 -0.0049 -0.0482 1021 TYR B N 2593 C CA . TYR B 142 ? 0.2615 0.5685 0.4999 0.0183 -0.0002 -0.0659 1021 TYR B CA 2594 C C . TYR B 142 ? 0.3074 0.6357 0.5491 0.0008 -0.0083 -0.0909 1021 TYR B C 2595 O O . TYR B 142 ? 0.3233 0.6878 0.5727 -0.0107 -0.0193 -0.0913 1021 TYR B O 2596 C CB . TYR B 142 ? 0.2851 0.5645 0.5417 0.0158 0.0104 -0.0620 1021 TYR B CB 2597 C CG . TYR B 142 ? 0.3152 0.5773 0.5593 0.0260 0.0214 -0.0424 1021 TYR B CG 2598 C CD1 . TYR B 142 ? 0.3423 0.6229 0.5994 0.0293 0.0298 -0.0325 1021 TYR B CD1 2599 C CD2 . TYR B 142 ? 0.3118 0.5423 0.5335 0.0304 0.0243 -0.0360 1021 TYR B CD2 2600 C CE1 . TYR B 142 ? 0.3390 0.6058 0.5808 0.0360 0.0448 -0.0233 1021 TYR B CE1 2601 C CE2 . TYR B 142 ? 0.3098 0.5275 0.5106 0.0343 0.0341 -0.0225 1021 TYR B CE2 2602 C CZ . TYR B 142 ? 0.3522 0.5874 0.5600 0.0367 0.0463 -0.0196 1021 TYR B CZ 2603 O OH . TYR B 142 ? 0.4502 0.6745 0.6353 0.0376 0.0609 -0.0150 1021 TYR B OH 2604 N N . ILE B 143 ? 0.2690 0.5768 0.5091 -0.0029 -0.0025 -0.1132 1022 ILE B N 2605 C CA . ILE B 143 ? 0.3120 0.6337 0.5588 -0.0216 -0.0033 -0.1483 1022 ILE B CA 2606 C C . ILE B 143 ? 0.4166 0.6986 0.7021 -0.0224 0.0065 -0.1635 1022 ILE B C 2607 O O . ILE B 143 ? 0.4066 0.6574 0.6999 -0.0097 0.0135 -0.1569 1022 ILE B O 2608 C CB . ILE B 143 ? 0.3717 0.7159 0.5860 -0.0278 -0.0022 -0.1682 1022 ILE B CB 2609 C CG1 . ILE B 143 ? 0.3742 0.7570 0.5557 -0.0283 -0.0161 -0.1425 1022 ILE B CG1 2610 C CG2 . ILE B 143 ? 0.3868 0.7476 0.6061 -0.0519 0.0018 -0.2140 1022 ILE B CG2 2611 C CD1 . ILE B 143 ? 0.3792 0.7864 0.5250 -0.0359 -0.0152 -0.1514 1022 ILE B CD1 2612 N N . ILE B 144 ? 0.4071 0.6910 0.7233 -0.0387 0.0044 -0.1798 1023 ILE B N 2613 C CA . ILE B 144 ? 0.4158 0.6620 0.7817 -0.0425 0.0111 -0.1934 1023 ILE B CA 2614 C C . ILE B 144 ? 0.5237 0.7736 0.9012 -0.0558 0.0184 -0.2451 1023 ILE B C 2615 O O . ILE B 144 ? 0.5591 0.8468 0.9099 -0.0741 0.0141 -0.2707 1023 ILE B O 2616 C CB . ILE B 144 ? 0.4504 0.6945 0.8498 -0.0545 0.0057 -0.1798 1023 ILE B CB 2617 C CG1 . ILE B 144 ? 0.4168 0.6618 0.8028 -0.0429 0.0055 -0.1344 1023 ILE B CG1 2618 C CG2 . ILE B 144 ? 0.4978 0.7019 0.9589 -0.0623 0.0096 -0.1928 1023 ILE B CG2 2619 C CD1 . ILE B 144 ? 0.5088 0.7708 0.9186 -0.0553 0.0027 -0.1202 1023 ILE B CD1 2620 N N . TYR B 145 ? 0.4933 0.7071 0.9128 -0.0483 0.0298 -0.2607 1024 TYR B N 2621 C CA . TYR B 145 ? 0.5245 0.7366 0.9699 -0.0597 0.0440 -0.3179 1024 TYR B CA 2622 C C . TYR B 145 ? 0.6266 0.7947 1.1539 -0.0634 0.0469 -0.3290 1024 TYR B C 2623 O O . TYR B 145 ? 0.6144 0.7483 1.1798 -0.0497 0.0414 -0.2884 1024 TYR B O 2624 C CB . TYR B 145 ? 0.5141 0.7248 0.9544 -0.0454 0.0592 -0.3314 1024 TYR B CB 2625 C CG . TYR B 145 ? 0.4898 0.7400 0.8563 -0.0418 0.0559 -0.3150 1024 TYR B CG 2626 C CD1 . TYR B 145 ? 0.4601 0.7039 0.8025 -0.0230 0.0456 -0.2636 1024 TYR B CD1 2627 C CD2 . TYR B 145 ? 0.5203 0.8146 0.8427 -0.0600 0.0636 -0.3516 1024 TYR B CD2 2628 C CE1 . TYR B 145 ? 0.4281 0.7036 0.7136 -0.0200 0.0415 -0.2473 1024 TYR B CE1 2629 C CE2 . TYR B 145 ? 0.5117 0.8428 0.7723 -0.0589 0.0578 -0.3293 1024 TYR B CE2 2630 C CZ . TYR B 145 ? 0.5660 0.8845 0.8138 -0.0373 0.0465 -0.2767 1024 TYR B CZ 2631 O OH . TYR B 145 ? 0.5868 0.9371 0.7841 -0.0364 0.0399 -0.2539 1024 TYR B OH 2632 N N . TYR B 146 ? 0.6235 0.7935 1.1782 -0.0852 0.0537 -0.3821 1025 TYR B N 2633 C CA . TYR B 146 ? 0.6605 0.7854 1.3058 -0.0905 0.0576 -0.3999 1025 TYR B CA 2634 C C . TYR B 146 ? 0.8005 0.9189 1.4851 -0.1041 0.0790 -0.4766 1025 TYR B C 2635 O O . TYR B 146 ? 0.8203 0.9794 1.4492 -0.1236 0.0872 -0.5235 1025 TYR B O 2636 C CB . TYR B 146 ? 0.6775 0.7939 1.3456 -0.1045 0.0403 -0.3714 1025 TYR B CB 2637 C CG . TYR B 146 ? 0.7282 0.8828 1.3622 -0.1333 0.0329 -0.4016 1025 TYR B CG 2638 C CD1 . TYR B 146 ? 0.7340 0.9370 1.2963 -0.1367 0.0193 -0.3732 1025 TYR B CD1 2639 C CD2 . TYR B 146 ? 0.7832 0.9251 1.4651 -0.1584 0.0373 -0.4564 1025 TYR B CD2 2640 C CE1 . TYR B 146 ? 0.7722 1.0155 1.3101 -0.1650 0.0072 -0.3937 1025 TYR B CE1 2641 C CE2 . TYR B 146 ? 0.8205 1.0013 1.4694 -0.1895 0.0262 -0.4822 1025 TYR B CE2 2642 C CZ . TYR B 146 ? 0.9205 1.1543 1.4975 -0.1929 0.0093 -0.4473 1025 TYR B CZ 2643 O OH . TYR B 146 ? 0.9745 1.2526 1.5246 -0.2247 -0.0069 -0.4645 1025 TYR B OH 2644 N N . SER B 147 ? 0.8053 0.8736 1.5890 -0.0948 0.0885 -0.4883 1026 SER B N 2645 C CA . SER B 147 ? 0.8752 0.9269 1.7217 -0.1042 0.1140 -0.5652 1026 SER B CA 2646 C C . SER B 147 ? 0.9878 0.9787 1.9583 -0.1021 0.1109 -0.5614 1026 SER B C 2647 O O . SER B 147 ? 0.9589 0.9230 1.9642 -0.0891 0.0903 -0.4911 1026 SER B O 2648 C CB . SER B 147 ? 0.9242 0.9823 1.7775 -0.0840 0.1382 -0.5861 1026 SER B CB 2649 O OG . SER B 147 ? 1.0983 1.1399 2.0244 -0.0911 0.1694 -0.6660 1026 SER B OG 2650 N N . THR B 148 ? 1.0211 0.9915 2.0591 -0.1178 0.1317 -0.6379 1027 THR B N 2651 C CA . THR B 148 ? 1.0639 0.9714 2.2405 -0.1162 0.1325 -0.6453 1027 THR B CA 2652 C C . THR B 148 ? 1.1409 1.0182 2.4160 -0.0895 0.1571 -0.6678 1027 THR B C 2653 O O . THR B 148 ? 1.1620 0.9841 2.5708 -0.0800 0.1553 -0.6587 1027 THR B O 2654 C CB . THR B 148 ? 1.2354 1.1340 2.4376 -0.1509 0.1382 -0.7137 1027 THR B CB 2655 O OG1 . THR B 148 ? 1.2953 1.2350 2.4322 -0.1695 0.1655 -0.7992 1027 THR B OG1 2656 C CG2 . THR B 148 ? 1.1902 1.1059 2.3402 -0.1732 0.1072 -0.6705 1027 THR B CG2 2657 N N . ASP B 149 ? 1.0850 1.0014 2.2997 -0.0778 0.1786 -0.6918 1028 ASP B N 2658 C CA . ASP B 149 ? 1.0887 0.9931 2.3814 -0.0512 0.2040 -0.7099 1028 ASP B CA 2659 C C . ASP B 149 ? 1.0776 1.0101 2.2996 -0.0287 0.1878 -0.6358 1028 ASP B C 2660 O O . ASP B 149 ? 1.0479 1.0322 2.1464 -0.0359 0.1898 -0.6377 1028 ASP B O 2661 C CB . ASP B 149 ? 1.1609 1.0942 2.4412 -0.0647 0.2501 -0.8165 1028 ASP B CB 2662 C CG . ASP B 149 ? 1.2166 1.1445 2.5863 -0.0385 0.2846 -0.8473 1028 ASP B CG 2663 O OD1 . ASP B 149 ? 1.2002 1.0811 2.7005 -0.0114 0.2762 -0.8066 1028 ASP B OD1 2664 O OD2 . ASP B 149 ? 1.2804 1.2532 2.5976 -0.0479 0.3209 -0.9137 1028 ASP B OD2 2665 N N . VAL B 150 ? 1.0094 0.9079 2.3108 -0.0046 0.1683 -0.5666 1029 VAL B N 2666 C CA . VAL B 150 ? 0.9493 0.8676 2.1956 0.0144 0.1495 -0.4939 1029 VAL B CA 2667 C C . VAL B 150 ? 1.0023 0.9537 2.2356 0.0282 0.1789 -0.5313 1029 VAL B C 2668 O O . VAL B 150 ? 0.9602 0.9469 2.1024 0.0344 0.1715 -0.4973 1029 VAL B O 2669 C CB . VAL B 150 ? 0.9874 0.8625 2.3287 0.0292 0.1189 -0.4128 1029 VAL B CB 2670 C CG1 . VAL B 150 ? 1.0204 0.8572 2.5287 0.0468 0.1335 -0.4341 1029 VAL B CG1 2671 C CG2 . VAL B 150 ? 0.9340 0.8306 2.2001 0.0406 0.0939 -0.3348 1029 VAL B CG2 2672 N N . ASN B 151 ? 1.0160 0.9575 2.3413 0.0304 0.2151 -0.6060 1030 ASN B N 2673 C CA . ASN B 151 ? 1.0310 1.0051 2.3645 0.0412 0.2510 -0.6519 1030 ASN B CA 2674 C C . ASN B 151 ? 1.1158 1.1478 2.3224 0.0167 0.2779 -0.7164 1030 ASN B C 2675 O O . ASN B 151 ? 1.1187 1.1892 2.3057 0.0217 0.3057 -0.7439 1030 ASN B O 2676 C CB . ASN B 151 ? 1.0980 1.0362 2.6039 0.0566 0.2807 -0.7009 1030 ASN B CB 2677 C CG . ASN B 151 ? 1.3516 1.2449 2.9835 0.0827 0.2499 -0.6214 1030 ASN B CG 2678 O OD1 . ASN B 151 ? 1.1716 1.0795 2.7865 0.0994 0.2288 -0.5531 1030 ASN B OD1 2679 N ND2 . ASN B 151 ? 1.3178 1.1567 3.0780 0.0831 0.2434 -0.6253 1030 ASN B ND2 2680 N N . ALA B 152 ? 1.0908 1.1346 2.2096 -0.0119 0.2666 -0.7329 1031 ALA B N 2681 C CA . ALA B 152 ? 1.1118 1.2153 2.1034 -0.0416 0.2827 -0.7831 1031 ALA B CA 2682 C C . ALA B 152 ? 1.1138 1.2654 1.9968 -0.0355 0.2713 -0.7323 1031 ALA B C 2683 O O . ALA B 152 ? 1.0476 1.1851 1.9192 -0.0156 0.2394 -0.6513 1031 ALA B O 2684 C CB . ALA B 152 ? 1.1349 1.2400 2.0644 -0.0710 0.2601 -0.7873 1031 ALA B CB 2685 N N . GLU B 153 ? 1.1033 1.3130 1.9080 -0.0553 0.2983 -0.7812 1032 GLU B N 2686 C CA . GLU B 153 ? 1.0624 1.3211 1.7651 -0.0541 0.2887 -0.7366 1032 GLU B CA 2687 C C . GLU B 153 ? 1.0250 1.2996 1.6246 -0.0692 0.2491 -0.6869 1032 GLU B C 2688 O O . GLU B 153 ? 1.0367 1.3114 1.6163 -0.0934 0.2416 -0.7144 1032 GLU B O 2689 C CB . GLU B 153 ? 1.1378 1.4574 1.7906 -0.0760 0.3293 -0.8008 1032 GLU B CB 2690 C CG . GLU B 153 ? 1.3314 1.6636 2.0260 -0.0518 0.3506 -0.7875 1032 GLU B CG 2691 C CD . GLU B 153 ? 1.7416 2.1400 2.3875 -0.0754 0.3947 -0.8487 1032 GLU B CD 2692 O OE1 . GLU B 153 ? 1.5747 1.9753 2.2878 -0.0830 0.4407 -0.9324 1032 GLU B OE1 2693 O OE2 . GLU B 153 ? 1.7557 2.2046 2.3003 -0.0875 0.3847 -0.8130 1032 GLU B OE2 2694 N N . ILE B 154 ? 0.8938 1.1808 1.4374 -0.0549 0.2240 -0.6151 1033 ILE B N 2695 C CA . ILE B 154 ? 0.8408 1.1397 1.3040 -0.0622 0.1871 -0.5605 1033 ILE B CA 2696 C C . ILE B 154 ? 0.9262 1.2752 1.3034 -0.0995 0.1825 -0.5893 1033 ILE B C 2697 O O . ILE B 154 ? 0.9204 1.2682 1.2698 -0.1085 0.1544 -0.5617 1033 ILE B O 2698 C CB . ILE B 154 ? 0.8064 1.1066 1.2360 -0.0399 0.1663 -0.4874 1033 ILE B CB 2699 C CG1 . ILE B 154 ? 0.7687 1.0488 1.1736 -0.0337 0.1306 -0.4271 1033 ILE B CG1 2700 C CG2 . ILE B 154 ? 0.7920 1.1482 1.1458 -0.0510 0.1747 -0.4870 1033 ILE B CG2 2701 C CD1 . ILE B 154 ? 0.8036 1.0232 1.2895 -0.0141 0.1186 -0.3967 1033 ILE B CD1 2702 N N . HIS B 155 ? 0.9111 1.3070 1.2510 -0.1238 0.2104 -0.6457 1034 HIS B N 2703 C CA . HIS B 155 ? 0.9575 1.4084 1.2132 -0.1665 0.2057 -0.6764 1034 HIS B CA 2704 C C . HIS B 155 ? 1.0237 1.4529 1.3118 -0.1873 0.2034 -0.7234 1034 HIS B C 2705 O O . HIS B 155 ? 1.0268 1.4877 1.2555 -0.2165 0.1790 -0.7178 1034 HIS B O 2706 C CB . HIS B 155 ? 1.0251 1.5366 1.2271 -0.1931 0.2387 -0.7264 1034 HIS B CB 2707 C CG . HIS B 155 ? 1.1168 1.6145 1.3904 -0.1920 0.2885 -0.8074 1034 HIS B CG 2708 N ND1 . HIS B 155 ? 1.2050 1.6966 1.5045 -0.2183 0.3100 -0.8888 1034 HIS B ND1 2709 C CD2 . HIS B 155 ? 1.1310 1.6258 1.4556 -0.1703 0.3216 -0.8206 1034 HIS B CD2 2710 C CE1 . HIS B 155 ? 1.2304 1.7116 1.6020 -0.2088 0.3573 -0.9502 1034 HIS B CE1 2711 N NE2 . HIS B 155 ? 1.1904 1.6752 1.5818 -0.1794 0.3656 -0.9103 1034 HIS B NE2 2712 N N . ASP B 156 ? 0.9697 1.3433 1.3616 -0.1715 0.2250 -0.7627 1035 ASP B N 2713 C CA . ASP B 156 ? 0.9886 1.3307 1.4321 -0.1884 0.2250 -0.8083 1035 ASP B CA 2714 C C . ASP B 156 ? 0.9545 1.2535 1.4339 -0.1726 0.1884 -0.7460 1035 ASP B C 2715 O O . ASP B 156 ? 0.9680 1.2491 1.4762 -0.1917 0.1803 -0.7717 1035 ASP B O 2716 C CB . ASP B 156 ? 1.0593 1.3623 1.6092 -0.1805 0.2666 -0.8812 1035 ASP B CB 2717 C CG . ASP B 156 ? 1.2526 1.6043 1.7676 -0.2062 0.3109 -0.9639 1035 ASP B CG 2718 O OD1 . ASP B 156 ? 1.3047 1.7210 1.7071 -0.2451 0.3065 -0.9804 1035 ASP B OD1 2719 O OD2 . ASP B 156 ? 1.3261 1.6547 1.9294 -0.1891 0.3503 -1.0108 1035 ASP B OD2 2720 N N . TRP B 157 ? 0.8435 1.1285 1.3194 -0.1409 0.1675 -0.6666 1036 TRP B N 2721 C CA . TRP B 157 ? 0.7919 1.0444 1.2903 -0.1270 0.1359 -0.6027 1036 TRP B CA 2722 C C . TRP B 157 ? 0.8542 1.1511 1.2730 -0.1510 0.1086 -0.5801 1036 TRP B C 2723 O O . TRP B 157 ? 0.8664 1.2174 1.2041 -0.1650 0.1050 -0.5777 1036 TRP B O 2724 C CB . TRP B 157 ? 0.7088 0.9401 1.2173 -0.0912 0.1262 -0.5338 1036 TRP B CB 2725 C CG . TRP B 157 ? 0.7196 0.9005 1.3272 -0.0666 0.1407 -0.5355 1036 TRP B CG 2726 C CD1 . TRP B 157 ? 0.7855 0.9632 1.4421 -0.0604 0.1715 -0.5836 1036 TRP B CD1 2727 C CD2 . TRP B 157 ? 0.6865 0.8181 1.3603 -0.0460 0.1235 -0.4814 1036 TRP B CD2 2728 N NE1 . TRP B 157 ? 0.7647 0.8924 1.5236 -0.0349 0.1720 -0.5605 1036 TRP B NE1 2729 C CE2 . TRP B 157 ? 0.7437 0.8432 1.5101 -0.0277 0.1407 -0.4953 1036 TRP B CE2 2730 C CE3 . TRP B 157 ? 0.6669 0.7827 1.3318 -0.0434 0.0961 -0.4211 1036 TRP B CE3 2731 C CZ2 . TRP B 157 ? 0.7103 0.7624 1.5603 -0.0093 0.1255 -0.4455 1036 TRP B CZ2 2732 C CZ3 . TRP B 157 ? 0.6667 0.7377 1.4029 -0.0276 0.0850 -0.3758 1036 TRP B CZ3 2733 C CH2 . TRP B 157 ? 0.6870 0.7266 1.5141 -0.0118 0.0967 -0.3851 1036 TRP B CH2 2734 N N . VAL B 158 ? 0.7964 1.0735 1.2450 -0.1575 0.0886 -0.5612 1037 VAL B N 2735 C CA . VAL B 158 ? 0.7834 1.1019 1.1777 -0.1788 0.0611 -0.5364 1037 VAL B CA 2736 C C . VAL B 158 ? 0.7731 1.1020 1.1335 -0.1538 0.0426 -0.4599 1037 VAL B C 2737 O O . VAL B 158 ? 0.7394 1.0276 1.1403 -0.1273 0.0411 -0.4192 1037 VAL B O 2738 C CB . VAL B 158 ? 0.8464 1.1419 1.2947 -0.1957 0.0491 -0.5450 1037 VAL B CB 2739 C CG1 . VAL B 158 ? 0.8450 1.1926 1.2434 -0.2221 0.0213 -0.5266 1037 VAL B CG1 2740 C CG2 . VAL B 158 ? 0.9084 1.1778 1.4101 -0.2159 0.0704 -0.6231 1037 VAL B CG2 2741 N N . ILE B 159 ? 0.7015 1.0854 0.9899 -0.1647 0.0284 -0.4410 1038 ILE B N 2742 C CA . ILE B 159 ? 0.6321 1.0271 0.8937 -0.1426 0.0125 -0.3751 1038 ILE B CA 2743 C C . ILE B 159 ? 0.6480 1.0579 0.9208 -0.1493 -0.0113 -0.3405 1038 ILE B C 2744 O O . ILE B 159 ? 0.6613 1.1128 0.9159 -0.1791 -0.0269 -0.3547 1038 ILE B O 2745 C CB . ILE B 159 ? 0.6669 1.1106 0.8597 -0.1482 0.0092 -0.3658 1038 ILE B CB 2746 C CG1 . ILE B 159 ? 0.6706 1.1006 0.8591 -0.1364 0.0351 -0.3899 1038 ILE B CG1 2747 C CG2 . ILE B 159 ? 0.6182 1.0773 0.7916 -0.1308 -0.0111 -0.3013 1038 ILE B CG2 2748 C CD1 . ILE B 159 ? 0.8473 1.3040 1.0159 -0.1663 0.0564 -0.4593 1038 ILE B CD1 2749 N N . GLU B 160 ? 0.5576 0.9370 0.8612 -0.1237 -0.0131 -0.2958 1039 GLU B N 2750 C CA . GLU B 160 ? 0.5279 0.9205 0.8507 -0.1242 -0.0286 -0.2592 1039 GLU B CA 2751 C C . GLU B 160 ? 0.5098 0.9108 0.8114 -0.0989 -0.0323 -0.2100 1039 GLU B C 2752 O O . GLU B 160 ? 0.4915 0.8555 0.8055 -0.0761 -0.0210 -0.1889 1039 GLU B O 2753 C CB . GLU B 160 ? 0.5450 0.8943 0.9272 -0.1210 -0.0218 -0.2550 1039 GLU B CB 2754 C CG . GLU B 160 ? 0.7510 1.1046 1.1687 -0.1507 -0.0282 -0.2874 1039 GLU B CG 2755 C CD . GLU B 160 ? 1.1021 1.5075 1.5157 -0.1730 -0.0497 -0.2773 1039 GLU B CD 2756 O OE1 . GLU B 160 ? 0.8778 1.3076 1.2881 -0.1601 -0.0578 -0.2324 1039 GLU B OE1 2757 O OE2 . GLU B 160 ? 1.1950 1.6171 1.6146 -0.2045 -0.0581 -0.3161 1039 GLU B OE2 2758 N N . PRO B 161 ? 0.4299 0.8787 0.7015 -0.1042 -0.0487 -0.1909 1040 PRO B N 2759 C CA . PRO B 161 ? 0.3874 0.8386 0.6513 -0.0792 -0.0506 -0.1476 1040 PRO B CA 2760 C C . PRO B 161 ? 0.4243 0.8714 0.7290 -0.0669 -0.0497 -0.1172 1040 PRO B C 2761 O O . PRO B 161 ? 0.4374 0.8997 0.7745 -0.0821 -0.0560 -0.1204 1040 PRO B O 2762 C CB . PRO B 161 ? 0.4173 0.9225 0.6499 -0.0926 -0.0715 -0.1347 1040 PRO B CB 2763 C CG . PRO B 161 ? 0.5047 1.0403 0.7168 -0.1283 -0.0799 -0.1732 1040 PRO B CG 2764 C CD . PRO B 161 ? 0.4603 0.9639 0.7078 -0.1356 -0.0685 -0.2052 1040 PRO B CD 2765 N N . VAL B 162 ? 0.3577 0.7846 0.6618 -0.0414 -0.0395 -0.0911 1041 VAL B N 2766 C CA . VAL B 162 ? 0.3445 0.7683 0.6826 -0.0289 -0.0306 -0.0670 1041 VAL B CA 2767 C C . VAL B 162 ? 0.4235 0.8653 0.7615 -0.0119 -0.0349 -0.0413 1041 VAL B C 2768 O O . VAL B 162 ? 0.4473 0.8664 0.7574 0.0024 -0.0291 -0.0377 1041 VAL B O 2769 C CB . VAL B 162 ? 0.3739 0.7496 0.7115 -0.0188 -0.0094 -0.0665 1041 VAL B CB 2770 C CG1 . VAL B 162 ? 0.3626 0.7423 0.7258 -0.0103 0.0047 -0.0451 1041 VAL B CG1 2771 C CG2 . VAL B 162 ? 0.3828 0.7357 0.7339 -0.0349 -0.0078 -0.0875 1041 VAL B CG2 2772 N N . VAL B 163 ? 0.3753 0.8581 0.7521 -0.0140 -0.0466 -0.0226 1042 VAL B N 2773 C CA . VAL B 163 ? 0.3575 0.8587 0.7542 0.0027 -0.0530 0.0049 1042 VAL B CA 2774 C C . VAL B 163 ? 0.3974 0.8772 0.8244 0.0260 -0.0272 0.0132 1042 VAL B C 2775 O O . VAL B 163 ? 0.4044 0.8948 0.8709 0.0250 -0.0144 0.0140 1042 VAL B O 2776 C CB . VAL B 163 ? 0.4011 0.9620 0.8337 -0.0116 -0.0831 0.0261 1042 VAL B CB 2777 C CG1 . VAL B 163 ? 0.3920 0.9705 0.8601 0.0063 -0.0932 0.0604 1042 VAL B CG1 2778 C CG2 . VAL B 163 ? 0.4142 0.9986 0.8008 -0.0406 -0.1060 0.0121 1042 VAL B CG2 2779 N N . GLY B 164 ? 0.3619 0.8142 0.7694 0.0436 -0.0185 0.0170 1043 GLY B N 2780 C CA . GLY B 164 ? 0.3652 0.7951 0.7915 0.0629 0.0080 0.0173 1043 GLY B CA 2781 C C . GLY B 164 ? 0.4275 0.8175 0.8134 0.0607 0.0320 -0.0003 1043 GLY B C 2782 O O . GLY B 164 ? 0.4218 0.7969 0.7736 0.0475 0.0269 -0.0098 1043 GLY B O 2783 N N . ASN B 165 ? 0.4033 0.7776 0.7962 0.0718 0.0585 -0.0046 1044 ASN B N 2784 C CA . ASN B 165 ? 0.4116 0.7552 0.7624 0.0643 0.0793 -0.0156 1044 ASN B CA 2785 C C . ASN B 165 ? 0.4761 0.8397 0.8503 0.0497 0.0921 -0.0150 1044 ASN B C 2786 O O . ASN B 165 ? 0.5118 0.8925 0.9157 0.0514 0.1171 -0.0173 1044 ASN B O 2787 C CB . ASN B 165 ? 0.4034 0.7229 0.7366 0.0750 0.1016 -0.0247 1044 ASN B CB 2788 C CG . ASN B 165 ? 0.8612 1.1420 1.1281 0.0668 0.1026 -0.0293 1044 ASN B CG 2789 O OD1 . ASN B 165 ? 0.7042 0.9743 0.9442 0.0535 0.0919 -0.0241 1044 ASN B OD1 2790 N ND2 . ASN B 165 ? 0.8730 1.1318 1.1191 0.0737 0.1147 -0.0389 1044 ASN B ND2 2791 N N . ARG B 166 ? 0.3935 0.7582 0.7621 0.0347 0.0751 -0.0133 1045 ARG B N 2792 C CA . ARG B 166 ? 0.3827 0.7601 0.7728 0.0166 0.0798 -0.0104 1045 ARG B CA 2793 C C . ARG B 166 ? 0.3978 0.7368 0.7458 0.0054 0.0764 -0.0106 1045 ARG B C 2794 O O . ARG B 166 ? 0.3660 0.6828 0.6873 0.0100 0.0610 -0.0164 1045 ARG B O 2795 C CB . ARG B 166 ? 0.3841 0.7924 0.8122 0.0072 0.0567 -0.0105 1045 ARG B CB 2796 C CG . ARG B 166 ? 0.4914 0.9463 0.9773 0.0142 0.0546 -0.0016 1045 ARG B CG 2797 C CD . ARG B 166 ? 0.6076 1.0963 1.1206 -0.0005 0.0246 0.0002 1045 ARG B CD 2798 N NE . ARG B 166 ? 0.7111 1.1857 1.2110 -0.0228 0.0174 -0.0120 1045 ARG B NE 2799 C CZ . ARG B 166 ? 0.7956 1.2784 1.2872 -0.0390 -0.0072 -0.0245 1045 ARG B CZ 2800 N NH1 . ARG B 166 ? 0.5948 1.1063 1.0815 -0.0389 -0.0295 -0.0217 1045 ARG B NH1 2801 N NH2 . ARG B 166 ? 0.5677 1.0311 1.0573 -0.0579 -0.0095 -0.0402 1045 ARG B NH2 2802 N N . LEU B 167 ? 0.3545 0.6881 0.7004 -0.0097 0.0911 -0.0012 1046 LEU B N 2803 C CA . LEU B 167 ? 0.3489 0.6475 0.6653 -0.0214 0.0853 0.0078 1046 LEU B CA 2804 C C . LEU B 167 ? 0.4258 0.7221 0.7763 -0.0406 0.0760 0.0152 1046 LEU B C 2805 O O . LEU B 167 ? 0.4874 0.7558 0.8304 -0.0519 0.0699 0.0287 1046 LEU B O 2806 C CB . LEU B 167 ? 0.3542 0.6441 0.6301 -0.0279 0.1055 0.0190 1046 LEU B CB 2807 C CG . LEU B 167 ? 0.3668 0.6491 0.6077 -0.0115 0.1141 0.0073 1046 LEU B CG 2808 C CD1 . LEU B 167 ? 0.3806 0.6619 0.5811 -0.0245 0.1371 0.0118 1046 LEU B CD1 2809 C CD2 . LEU B 167 ? 0.3723 0.6245 0.5893 -0.0009 0.0918 0.0043 1046 LEU B CD2 2810 N N . THR B 168 ? 0.3290 0.6544 0.7231 -0.0453 0.0722 0.0082 1047 THR B N 2811 C CA . THR B 168 ? 0.3312 0.6577 0.7671 -0.0652 0.0628 0.0105 1047 THR B CA 2812 C C . THR B 168 ? 0.3886 0.7327 0.8508 -0.0655 0.0441 -0.0118 1047 THR B C 2813 O O . THR B 168 ? 0.3605 0.7348 0.8229 -0.0543 0.0415 -0.0177 1047 THR B O 2814 C CB . THR B 168 ? 0.3769 0.7297 0.8395 -0.0815 0.0811 0.0302 1047 THR B CB 2815 O OG1 . THR B 168 ? 0.4814 0.8277 0.9870 -0.1032 0.0695 0.0356 1047 THR B OG1 2816 C CG2 . THR B 168 ? 0.2745 0.6748 0.7619 -0.0732 0.0953 0.0261 1047 THR B CG2 2817 N N . HIS B 169 ? 0.3747 0.7015 0.8621 -0.0809 0.0301 -0.0239 1048 HIS B N 2818 C CA . HIS B 169 ? 0.3684 0.7140 0.8727 -0.0887 0.0124 -0.0507 1048 HIS B CA 2819 C C . HIS B 169 ? 0.4072 0.7354 0.9543 -0.1119 0.0039 -0.0635 1048 HIS B C 2820 O O . HIS B 169 ? 0.4111 0.6967 0.9669 -0.1139 0.0052 -0.0637 1048 HIS B O 2821 C CB . HIS B 169 ? 0.3751 0.7114 0.8387 -0.0751 0.0044 -0.0717 1048 HIS B CB 2822 C CG . HIS B 169 ? 0.4305 0.7914 0.8964 -0.0882 -0.0128 -0.1006 1048 HIS B CG 2823 N ND1 . HIS B 169 ? 0.4441 0.8527 0.9059 -0.0888 -0.0242 -0.0956 1048 HIS B ND1 2824 C CD2 . HIS B 169 ? 0.4770 0.8224 0.9485 -0.1030 -0.0199 -0.1349 1048 HIS B CD2 2825 C CE1 . HIS B 169 ? 0.4622 0.8867 0.9174 -0.1078 -0.0403 -0.1241 1048 HIS B CE1 2826 N NE2 . HIS B 169 ? 0.4881 0.8749 0.9471 -0.1168 -0.0354 -0.1531 1048 HIS B NE2 2827 N N . GLN B 170 ? 0.3707 0.7318 0.9517 -0.1302 -0.0067 -0.0732 1049 GLN B N 2828 C CA . GLN B 170 ? 0.4162 0.7638 1.0454 -0.1563 -0.0160 -0.0893 1049 GLN B CA 2829 C C . GLN B 170 ? 0.5217 0.8651 1.1438 -0.1678 -0.0308 -0.1368 1049 GLN B C 2830 O O . GLN B 170 ? 0.5281 0.9090 1.1196 -0.1679 -0.0413 -0.1503 1049 GLN B O 2831 C CB . GLN B 170 ? 0.4404 0.8302 1.1136 -0.1742 -0.0187 -0.0721 1049 GLN B CB 2832 C CG . GLN B 170 ? 0.7775 1.1495 1.5085 -0.2026 -0.0253 -0.0775 1049 GLN B CG 2833 C CD . GLN B 170 ? 1.0324 1.4529 1.8097 -0.2228 -0.0308 -0.0636 1049 GLN B CD 2834 O OE1 . GLN B 170 ? 1.0409 1.4562 1.8655 -0.2402 -0.0255 -0.0425 1049 GLN B OE1 2835 N NE2 . GLN B 170 ? 0.8767 1.3473 1.6483 -0.2243 -0.0443 -0.0730 1049 GLN B NE2 2836 N N . ILE B 171 ? 0.5081 0.8077 1.1616 -0.1792 -0.0310 -0.1618 1050 ILE B N 2837 C CA . ILE B 171 ? 0.5330 0.8256 1.1838 -0.1934 -0.0381 -0.2170 1050 ILE B CA 2838 C C . ILE B 171 ? 0.6368 0.9155 1.3507 -0.2240 -0.0457 -0.2393 1050 ILE B C 2839 O O . ILE B 171 ? 0.6570 0.8932 1.4247 -0.2259 -0.0405 -0.2239 1050 ILE B O 2840 C CB . ILE B 171 ? 0.5662 0.8165 1.2020 -0.1755 -0.0263 -0.2393 1050 ILE B CB 2841 C CG1 . ILE B 171 ? 0.5191 0.7824 1.0933 -0.1468 -0.0201 -0.2147 1050 ILE B CG1 2842 C CG2 . ILE B 171 ? 0.6030 0.8510 1.2385 -0.1936 -0.0268 -0.3050 1050 ILE B CG2 2843 C CD1 . ILE B 171 ? 0.4717 0.6943 1.0408 -0.1269 -0.0086 -0.2224 1050 ILE B CD1 2844 N N . GLN B 172 ? 0.6208 0.9357 1.3297 -0.2506 -0.0604 -0.2733 1051 GLN B N 2845 C CA . GLN B 172 ? 0.6728 0.9794 1.4397 -0.2850 -0.0705 -0.3008 1051 GLN B CA 2846 C C . GLN B 172 ? 0.7949 1.0771 1.5639 -0.3040 -0.0685 -0.3736 1051 GLN B C 2847 O O . GLN B 172 ? 0.7766 1.0493 1.5042 -0.2889 -0.0567 -0.4003 1051 GLN B O 2848 C CB . GLN B 172 ? 0.6906 1.0612 1.4588 -0.3086 -0.0911 -0.2869 1051 GLN B CB 2849 C CG . GLN B 172 ? 0.8177 1.2302 1.5705 -0.2868 -0.0898 -0.2274 1051 GLN B CG 2850 C CD . GLN B 172 ? 1.0635 1.5212 1.7512 -0.2753 -0.0983 -0.2282 1051 GLN B CD 2851 O OE1 . GLN B 172 ? 0.9753 1.4148 1.6136 -0.2565 -0.0892 -0.2424 1051 GLN B OE1 2852 N NE2 . GLN B 172 ? 0.9836 1.5029 1.6761 -0.2893 -0.1183 -0.2121 1051 GLN B NE2 2853 N N . GLU B 173 ? 0.8304 1.1050 1.6505 -0.3395 -0.0784 -0.4086 1052 GLU B N 2854 C CA . GLU B 173 ? 0.8948 1.1490 1.7259 -0.3666 -0.0751 -0.4882 1052 GLU B CA 2855 C C . GLU B 173 ? 0.9433 1.1308 1.8097 -0.3465 -0.0500 -0.5215 1052 GLU B C 2856 O O . GLU B 173 ? 0.9766 1.1555 1.8323 -0.3599 -0.0382 -0.5928 1052 GLU B O 2857 C CB . GLU B 173 ? 0.9371 1.2537 1.6835 -0.3885 -0.0860 -0.5278 1052 GLU B CB 2858 C CG . GLU B 173 ? 1.0867 1.4699 1.8165 -0.4206 -0.1165 -0.5115 1052 GLU B CG 2859 C CD . GLU B 173 ? 1.3246 1.7597 1.9851 -0.4579 -0.1302 -0.5661 1052 GLU B CD 2860 O OE1 . GLU B 173 ? 1.2490 1.6763 1.8601 -0.4541 -0.1123 -0.6106 1052 GLU B OE1 2861 O OE2 . GLU B 173 ? 1.1221 1.6098 1.7780 -0.4941 -0.1593 -0.5634 1052 GLU B OE2 2862 N N . LEU B 174 ? 0.8607 1.0044 1.7735 -0.3171 -0.0416 -0.4708 1053 LEU B N 2863 C CA . LEU B 174 ? 0.8725 0.9547 1.8367 -0.2977 -0.0222 -0.4932 1053 LEU B CA 2864 C C . LEU B 174 ? 1.0151 1.0426 2.0854 -0.3199 -0.0206 -0.5322 1053 LEU B C 2865 O O . LEU B 174 ? 1.0344 1.0673 2.1398 -0.3489 -0.0360 -0.5285 1053 LEU B O 2866 C CB . LEU B 174 ? 0.8161 0.8757 1.7887 -0.2616 -0.0185 -0.4212 1053 LEU B CB 2867 C CG . LEU B 174 ? 0.8055 0.9071 1.6852 -0.2363 -0.0172 -0.3838 1053 LEU B CG 2868 C CD1 . LEU B 174 ? 0.7705 0.8413 1.6668 -0.2074 -0.0126 -0.3270 1053 LEU B CD1 2869 C CD2 . LEU B 174 ? 0.8349 0.9612 1.6497 -0.2320 -0.0064 -0.4364 1053 LEU B CD2 2870 N N . THR B 175 ? 1.0247 0.9995 2.1545 -0.3063 -0.0016 -0.5700 1054 THR B N 2871 C CA . THR B 175 ? 1.0889 1.0019 2.3366 -0.3227 0.0039 -0.6136 1054 THR B CA 2872 C C . THR B 175 ? 1.1237 0.9848 2.4679 -0.3065 -0.0050 -0.5397 1054 THR B C 2873 O O . THR B 175 ? 1.0733 0.9312 2.4020 -0.2752 -0.0040 -0.4818 1054 THR B O 2874 C CB . THR B 175 ? 1.2056 1.0962 2.4714 -0.3168 0.0324 -0.6989 1054 THR B CB 2875 O OG1 . THR B 175 ? 1.2183 1.1674 2.3809 -0.3402 0.0375 -0.7601 1054 THR B OG1 2876 C CG2 . THR B 175 ? 1.2305 1.0524 2.6306 -0.3299 0.0432 -0.7531 1054 THR B CG2 2877 N N . LEU B 176 ? 1.1258 0.9491 2.5675 -0.3315 -0.0158 -0.5395 1055 LEU B N 2878 C CA . LEU B 176 ? 1.1251 0.9013 2.6660 -0.3254 -0.0283 -0.4651 1055 LEU B CA 2879 C C . LEU B 176 ? 1.2339 0.9433 2.8835 -0.3022 -0.0169 -0.4743 1055 LEU B C 2880 O O . LEU B 176 ? 1.2738 0.9622 2.9516 -0.2987 0.0047 -0.5584 1055 LEU B O 2881 C CB . LEU B 176 ? 1.1564 0.9192 2.7672 -0.3638 -0.0456 -0.4580 1055 LEU B CB 2882 C CG . LEU B 176 ? 1.1628 0.9896 2.6989 -0.3828 -0.0622 -0.4091 1055 LEU B CG 2883 C CD1 . LEU B 176 ? 1.1770 0.9799 2.8052 -0.4077 -0.0792 -0.3559 1055 LEU B CD1 2884 C CD2 . LEU B 176 ? 1.1190 0.9913 2.5601 -0.3546 -0.0615 -0.3381 1055 LEU B CD2 2885 N N . ASP B 177 ? 1.1840 0.8646 2.8951 -0.2880 -0.0311 -0.3860 1056 ASP B N 2886 C CA . ASP B 177 ? 1.2085 0.8283 3.0385 -0.2653 -0.0284 -0.3709 1056 ASP B CA 2887 C C . ASP B 177 ? 1.2513 0.8762 3.0505 -0.2344 -0.0032 -0.4261 1056 ASP B C 2888 O O . ASP B 177 ? 1.3087 0.8876 3.2109 -0.2257 0.0144 -0.4857 1056 ASP B O 2889 C CB . ASP B 177 ? 1.3055 0.8575 3.2952 -0.2858 -0.0309 -0.4048 1056 ASP B CB 2890 C CG . ASP B 177 ? 1.4062 0.8945 3.5453 -0.2675 -0.0400 -0.3544 1056 ASP B CG 2891 O OD1 . ASP B 177 ? 1.3642 0.8639 3.4864 -0.2534 -0.0586 -0.2569 1056 ASP B OD1 2892 O OD2 . ASP B 177 ? 1.5218 0.9488 3.7423 -0.2691 -0.0297 -0.4038 1056 ASP B OD2 2893 N N . THR B 178 ? 1.1262 0.8085 2.7879 -0.2190 0.0006 -0.4095 1057 THR B N 2894 C CA . THR B 178 ? 1.0988 0.7961 2.7170 -0.1937 0.0244 -0.4593 1057 THR B CA 2895 C C . THR B 178 ? 1.1151 0.8422 2.6561 -0.1666 0.0170 -0.3886 1057 THR B C 2896 O O . THR B 178 ? 1.0743 0.8459 2.5108 -0.1720 0.0047 -0.3426 1057 THR B O 2897 C CB . THR B 178 ? 1.0625 0.8070 2.5780 -0.2118 0.0418 -0.5454 1057 THR B CB 2898 O OG1 . THR B 178 ? 1.0929 0.8072 2.6831 -0.2390 0.0516 -0.6240 1057 THR B OG1 2899 C CG2 . THR B 178 ? 0.9761 0.7503 2.4231 -0.1905 0.0663 -0.5897 1057 THR B CG2 2900 N N . PRO B 179 ? 1.0828 0.7897 2.6724 -0.1378 0.0264 -0.3857 1058 PRO B N 2901 C CA . PRO B 179 ? 1.0255 0.7647 2.5312 -0.1146 0.0203 -0.3290 1058 PRO B CA 2902 C C . PRO B 179 ? 1.0362 0.8304 2.4100 -0.1106 0.0391 -0.3802 1058 PRO B C 2903 O O . PRO B 179 ? 1.0398 0.8388 2.4169 -0.1108 0.0647 -0.4624 1058 PRO B O 2904 C CB . PRO B 179 ? 1.0650 0.7656 2.6830 -0.0885 0.0244 -0.3192 1058 PRO B CB 2905 C CG . PRO B 179 ? 1.1853 0.8289 2.9576 -0.0969 0.0319 -0.3642 1058 PRO B CG 2906 C CD . PRO B 179 ? 1.1538 0.8107 2.8796 -0.1252 0.0450 -0.4385 1058 PRO B CD 2907 N N . TYR B 180 ? 0.9636 0.8012 2.2229 -0.1106 0.0267 -0.3311 1059 TYR B N 2908 C CA . TYR B 180 ? 0.9344 0.8259 2.0684 -0.1061 0.0368 -0.3556 1059 TYR B CA 2909 C C . TYR B 180 ? 0.9645 0.8658 2.0574 -0.0807 0.0306 -0.2971 1059 TYR B C 2910 O O . TYR B 180 ? 0.9647 0.8451 2.0931 -0.0762 0.0126 -0.2282 1059 TYR B O 2911 C CB . TYR B 180 ? 0.9234 0.8558 1.9743 -0.1273 0.0256 -0.3439 1059 TYR B CB 2912 C CG . TYR B 180 ? 0.9708 0.9149 2.0230 -0.1548 0.0322 -0.4142 1059 TYR B CG 2913 C CD1 . TYR B 180 ? 1.0171 0.9322 2.1472 -0.1780 0.0239 -0.4212 1059 TYR B CD1 2914 C CD2 . TYR B 180 ? 0.9933 0.9826 1.9626 -0.1623 0.0432 -0.4679 1059 TYR B CD2 2915 C CE1 . TYR B 180 ? 1.0703 0.9980 2.1984 -0.2078 0.0273 -0.4874 1059 TYR B CE1 2916 C CE2 . TYR B 180 ? 1.0458 1.0521 2.0074 -0.1938 0.0458 -0.5313 1059 TYR B CE2 2917 C CZ . TYR B 180 ? 1.1518 1.1264 2.1927 -0.2165 0.0380 -0.5437 1059 TYR B CZ 2918 O OH . TYR B 180 ? 1.1737 1.1662 2.2047 -0.2516 0.0383 -0.6083 1059 TYR B OH 2919 N N . TYR B 181 ? 0.8892 0.8235 1.9083 -0.0678 0.0442 -0.3240 1060 TYR B N 2920 C CA . TYR B 181 ? 0.8406 0.7861 1.8178 -0.0456 0.0399 -0.2792 1060 TYR B CA 2921 C C . TYR B 181 ? 0.7953 0.7896 1.6475 -0.0462 0.0375 -0.2674 1060 TYR B C 2922 O O . TYR B 181 ? 0.7896 0.8152 1.5913 -0.0585 0.0460 -0.3121 1060 TYR B O 2923 C CB . TYR B 181 ? 0.8810 0.8158 1.9106 -0.0275 0.0591 -0.3178 1060 TYR B CB 2924 C CG . TYR B 181 ? 0.9564 0.8395 2.1304 -0.0237 0.0605 -0.3243 1060 TYR B CG 2925 C CD1 . TYR B 181 ? 0.9761 0.8294 2.2200 -0.0126 0.0390 -0.2538 1060 TYR B CD1 2926 C CD2 . TYR B 181 ? 1.0196 0.8837 2.2642 -0.0345 0.0811 -0.3987 1060 TYR B CD2 2927 C CE1 . TYR B 181 ? 1.0247 0.8296 2.4151 -0.0096 0.0358 -0.2508 1060 TYR B CE1 2928 C CE2 . TYR B 181 ? 1.0758 0.8874 2.4683 -0.0300 0.0827 -0.4052 1060 TYR B CE2 2929 C CZ . TYR B 181 ? 1.1580 0.9396 2.6281 -0.0163 0.0586 -0.3275 1060 TYR B CZ 2930 O OH . TYR B 181 ? 1.1947 0.9242 2.8241 -0.0115 0.0562 -0.3255 1060 TYR B OH 2931 N N . PHE B 182 ? 0.6805 0.6822 1.4864 -0.0362 0.0243 -0.2059 1061 PHE B N 2932 C CA . PHE B 182 ? 0.6244 0.6670 1.3262 -0.0355 0.0220 -0.1914 1061 PHE B CA 2933 C C . PHE B 182 ? 0.6383 0.6918 1.2892 -0.0171 0.0211 -0.1654 1061 PHE B C 2934 O O . PHE B 182 ? 0.6266 0.6608 1.2944 -0.0100 0.0104 -0.1191 1061 PHE B O 2935 C CB . PHE B 182 ? 0.6333 0.6837 1.3145 -0.0490 0.0102 -0.1506 1061 PHE B CB 2936 C CG . PHE B 182 ? 0.6737 0.7201 1.3990 -0.0702 0.0095 -0.1756 1061 PHE B CG 2937 C CD1 . PHE B 182 ? 0.6988 0.7807 1.3838 -0.0828 0.0123 -0.2114 1061 PHE B CD1 2938 C CD2 . PHE B 182 ? 0.7259 0.7339 1.5383 -0.0798 0.0030 -0.1607 1061 PHE B CD2 2939 C CE1 . PHE B 182 ? 0.7329 0.8122 1.4604 -0.1056 0.0096 -0.2375 1061 PHE B CE1 2940 C CE2 . PHE B 182 ? 0.7841 0.7856 1.6430 -0.1012 0.0020 -0.1873 1061 PHE B CE2 2941 C CZ . PHE B 182 ? 0.7532 0.7905 1.5676 -0.1144 0.0057 -0.2284 1061 PHE B CZ 2942 N N . LYS B 183 ? 0.5744 0.6615 1.1607 -0.0130 0.0295 -0.1918 1062 LYS B N 2943 C CA . LYS B 183 ? 0.5455 0.6458 1.0784 0.0018 0.0282 -0.1691 1062 LYS B CA 2944 C C . LYS B 183 ? 0.5579 0.6922 1.0131 -0.0017 0.0242 -0.1581 1062 LYS B C 2945 O O . LYS B 183 ? 0.5579 0.7177 0.9958 -0.0136 0.0262 -0.1846 1062 LYS B O 2946 C CB . LYS B 183 ? 0.5831 0.6938 1.1215 0.0104 0.0428 -0.2066 1062 LYS B CB 2947 C CG . LYS B 183 ? 0.6536 0.7333 1.2820 0.0194 0.0494 -0.2161 1062 LYS B CG 2948 C CD . LYS B 183 ? 0.6781 0.7753 1.3066 0.0298 0.0663 -0.2449 1062 LYS B CD 2949 C CE . LYS B 183 ? 0.5944 0.6875 1.2922 0.0270 0.0908 -0.3072 1062 LYS B CE 2950 N NZ . LYS B 183 ? 0.4977 0.6070 1.2134 0.0387 0.1100 -0.3285 1062 LYS B NZ 2951 N N . ILE B 184 ? 0.4782 0.6132 0.8932 0.0067 0.0177 -0.1188 1063 ILE B N 2952 C CA . ILE B 184 ? 0.4559 0.6196 0.8118 0.0072 0.0160 -0.1085 1063 ILE B CA 2953 C C . ILE B 184 ? 0.4799 0.6495 0.7950 0.0204 0.0158 -0.0984 1063 ILE B C 2954 O O . ILE B 184 ? 0.4847 0.6329 0.8091 0.0276 0.0133 -0.0816 1063 ILE B O 2955 C CB . ILE B 184 ? 0.4969 0.6594 0.8450 0.0014 0.0130 -0.0766 1063 ILE B CB 2956 C CG1 . ILE B 184 ? 0.5306 0.6808 0.9302 -0.0135 0.0116 -0.0775 1063 ILE B CG1 2957 C CG2 . ILE B 184 ? 0.4659 0.6625 0.7753 0.0028 0.0145 -0.0748 1063 ILE B CG2 2958 C CD1 . ILE B 184 ? 0.5510 0.7064 0.9453 -0.0228 0.0121 -0.0467 1063 ILE B CD1 2959 N N . GLN B 185 ? 0.4083 0.6080 0.6839 0.0217 0.0157 -0.1048 1064 GLN B N 2960 C CA . GLN B 185 ? 0.3946 0.6007 0.6337 0.0322 0.0141 -0.0921 1064 GLN B CA 2961 C C . GLN B 185 ? 0.4688 0.6947 0.6789 0.0344 0.0104 -0.0768 1064 GLN B C 2962 O O . GLN B 185 ? 0.4859 0.7349 0.7018 0.0268 0.0082 -0.0830 1064 GLN B O 2963 C CB . GLN B 185 ? 0.4138 0.6358 0.6485 0.0323 0.0185 -0.1147 1064 GLN B CB 2964 C CG . GLN B 185 ? 0.5691 0.8303 0.7861 0.0197 0.0191 -0.1383 1064 GLN B CG 2965 C CD . GLN B 185 ? 0.7256 1.0079 0.9254 0.0176 0.0258 -0.1536 1064 GLN B CD 2966 O OE1 . GLN B 185 ? 0.8357 1.1517 1.0209 0.0019 0.0300 -0.1800 1064 GLN B OE1 2967 N NE2 . GLN B 185 ? 0.4119 0.6800 0.6093 0.0298 0.0268 -0.1366 1064 GLN B NE2 2968 N N . ALA B 186 ? 0.4218 0.6373 0.6086 0.0442 0.0094 -0.0568 1065 ALA B N 2969 C CA . ALA B 186 ? 0.3944 0.6226 0.5672 0.0494 0.0089 -0.0437 1065 ALA B CA 2970 C C . ALA B 186 ? 0.4226 0.6740 0.5821 0.0527 0.0016 -0.0416 1065 ALA B C 2971 O O . ALA B 186 ? 0.4201 0.6719 0.5686 0.0525 -0.0003 -0.0460 1065 ALA B O 2972 C CB . ALA B 186 ? 0.4075 0.6099 0.5643 0.0549 0.0139 -0.0285 1065 ALA B CB 2973 N N . ARG B 187 ? 0.3633 0.6359 0.5303 0.0553 -0.0026 -0.0311 1066 ARG B N 2974 C CA . ARG B 187 ? 0.3574 0.6546 0.5203 0.0567 -0.0139 -0.0183 1066 ARG B CA 2975 C C . ARG B 187 ? 0.3723 0.6594 0.5503 0.0701 -0.0124 -0.0008 1066 ARG B C 2976 O O . ARG B 187 ? 0.3848 0.6646 0.5816 0.0750 -0.0021 -0.0023 1066 ARG B O 2977 C CB . ARG B 187 ? 0.3701 0.7121 0.5432 0.0430 -0.0261 -0.0193 1066 ARG B CB 2978 C CG . ARG B 187 ? 0.4841 0.8594 0.6475 0.0369 -0.0425 -0.0006 1066 ARG B CG 2979 C CD . ARG B 187 ? 0.5881 1.0071 0.7736 0.0271 -0.0603 0.0159 1066 ARG B CD 2980 N NE . ARG B 187 ? 0.7597 1.2078 0.9321 0.0047 -0.0646 -0.0060 1066 ARG B NE 2981 C CZ . ARG B 187 ? 0.9835 1.4683 1.1233 -0.0179 -0.0745 -0.0126 1066 ARG B CZ 2982 N NH1 . ARG B 187 ? 0.7532 1.2527 0.8708 -0.0210 -0.0820 0.0072 1066 ARG B NH1 2983 N NH2 . ARG B 187 ? 0.9007 1.4090 1.0288 -0.0406 -0.0758 -0.0406 1066 ARG B NH2 2984 N N . ASN B 188 ? 0.3026 0.5911 0.4772 0.0747 -0.0210 0.0144 1067 ASN B N 2985 C CA . ASN B 188 ? 0.2991 0.5800 0.5012 0.0871 -0.0220 0.0306 1067 ASN B CA 2986 C C . ASN B 188 ? 0.3660 0.6768 0.5785 0.0827 -0.0431 0.0566 1067 ASN B C 2987 O O . ASN B 188 ? 0.3754 0.7132 0.5612 0.0677 -0.0525 0.0570 1067 ASN B O 2988 C CB . ASN B 188 ? 0.2103 0.4477 0.3989 0.0954 -0.0094 0.0231 1067 ASN B CB 2989 C CG . ASN B 188 ? 0.3755 0.5986 0.5373 0.0924 -0.0164 0.0278 1067 ASN B CG 2990 O OD1 . ASN B 188 ? 0.3226 0.5678 0.4835 0.0874 -0.0300 0.0428 1067 ASN B OD1 2991 N ND2 . ASN B 188 ? 0.2984 0.4875 0.4381 0.0927 -0.0079 0.0176 1067 ASN B ND2 2992 N N . SER B 189 ? 0.3046 0.6134 0.5586 0.0934 -0.0497 0.0782 1068 SER B N 2993 C CA . SER B 189 ? 0.3094 0.6479 0.5811 0.0870 -0.0739 0.1131 1068 SER B CA 2994 C C . SER B 189 ? 0.3598 0.7049 0.5856 0.0733 -0.0815 0.1197 1068 SER B C 2995 O O . SER B 189 ? 0.3577 0.7450 0.5774 0.0571 -0.1010 0.1451 1068 SER B O 2996 C CB . SER B 189 ? 0.3787 0.6997 0.7124 0.1034 -0.0777 0.1344 1068 SER B CB 2997 O OG . SER B 189 ? 0.4380 0.7171 0.7631 0.1100 -0.0710 0.1305 1068 SER B OG 2998 N N . LYS B 190 ? 0.3084 0.6167 0.5038 0.0772 -0.0664 0.0990 1069 LYS B N 2999 C CA . LYS B 190 ? 0.2961 0.6085 0.4583 0.0667 -0.0690 0.1031 1069 LYS B CA 3000 C C . LYS B 190 ? 0.3667 0.7053 0.4908 0.0518 -0.0622 0.0819 1069 LYS B C 3001 O O . LYS B 190 ? 0.3785 0.7388 0.4811 0.0391 -0.0642 0.0880 1069 LYS B O 3002 C CB . LYS B 190 ? 0.2984 0.5640 0.4585 0.0762 -0.0611 0.0976 1069 LYS B CB 3003 C CG . LYS B 190 ? 0.1701 0.4174 0.3694 0.0840 -0.0714 0.1228 1069 LYS B CG 3004 C CD . LYS B 190 ? 0.1854 0.4545 0.3852 0.0714 -0.0886 0.1568 1069 LYS B CD 3005 C CE . LYS B 190 ? 0.3415 0.5856 0.5893 0.0783 -0.1002 0.1832 1069 LYS B CE 3006 N NZ . LYS B 190 ? 0.3837 0.6673 0.6481 0.0636 -0.1238 0.2307 1069 LYS B NZ 3007 N N . GLY B 191 ? 0.3173 0.6565 0.4386 0.0517 -0.0532 0.0571 1070 GLY B N 3008 C CA . GLY B 191 ? 0.3156 0.6743 0.4132 0.0385 -0.0444 0.0303 1070 GLY B CA 3009 C C . GLY B 191 ? 0.3999 0.7299 0.5039 0.0453 -0.0301 0.0025 1070 GLY B C 3010 O O . GLY B 191 ? 0.3793 0.6868 0.5004 0.0557 -0.0280 0.0045 1070 GLY B O 3011 N N . MET B 192 ? 0.4053 0.7387 0.5007 0.0377 -0.0190 -0.0236 1071 MET B N 3012 C CA . MET B 192 ? 0.4038 0.7118 0.5147 0.0412 -0.0080 -0.0467 1071 MET B CA 3013 C C . MET B 192 ? 0.4052 0.6769 0.5238 0.0513 -0.0017 -0.0456 1071 MET B C 3014 O O . MET B 192 ? 0.4219 0.6974 0.5354 0.0514 -0.0003 -0.0420 1071 MET B O 3015 C CB . MET B 192 ? 0.4528 0.7843 0.5652 0.0263 0.0006 -0.0794 1071 MET B CB 3016 C CG . MET B 192 ? 0.5273 0.9044 0.6234 0.0076 -0.0082 -0.0839 1071 MET B CG 3017 S SD . MET B 192 ? 0.5935 0.9761 0.7070 0.0069 -0.0211 -0.0722 1071 MET B SD 3018 C CE . MET B 192 ? 0.5433 0.8794 0.6869 0.0171 -0.0078 -0.0889 1071 MET B CE 3019 N N . GLY B 193 ? 0.3092 0.5514 0.4425 0.0563 0.0011 -0.0473 1072 GLY B N 3020 C CA . GLY B 193 ? 0.2974 0.5085 0.4402 0.0616 0.0020 -0.0409 1072 GLY B CA 3021 C C . GLY B 193 ? 0.3648 0.5696 0.5416 0.0592 0.0086 -0.0583 1072 GLY B C 3022 O O . GLY B 193 ? 0.3723 0.5961 0.5617 0.0527 0.0161 -0.0830 1072 GLY B O 3023 N N . PRO B 194 ? 0.3213 0.5004 0.5189 0.0627 0.0049 -0.0461 1073 PRO B N 3024 C CA . PRO B 194 ? 0.3217 0.4910 0.5708 0.0623 0.0095 -0.0583 1073 PRO B CA 3025 C C . PRO B 194 ? 0.4112 0.5706 0.6801 0.0566 0.0108 -0.0653 1073 PRO B C 3026 O O . PRO B 194 ? 0.4430 0.5999 0.6857 0.0530 0.0070 -0.0533 1073 PRO B O 3027 C CB . PRO B 194 ? 0.3462 0.4924 0.6121 0.0652 -0.0024 -0.0303 1073 PRO B CB 3028 C CG . PRO B 194 ? 0.4244 0.5615 0.6401 0.0623 -0.0119 -0.0080 1073 PRO B CG 3029 C CD . PRO B 194 ? 0.3603 0.5183 0.5396 0.0645 -0.0057 -0.0196 1073 PRO B CD 3030 N N . MET B 195 ? 0.4016 0.5552 0.7242 0.0554 0.0178 -0.0855 1074 MET B N 3031 C CA . MET B 195 ? 0.4258 0.5673 0.7795 0.0481 0.0184 -0.0934 1074 MET B CA 3032 C C . MET B 195 ? 0.4879 0.5989 0.8820 0.0474 0.0069 -0.0624 1074 MET B C 3033 O O . MET B 195 ? 0.5124 0.6116 0.9385 0.0533 0.0005 -0.0460 1074 MET B O 3034 C CB . MET B 195 ? 0.4795 0.6287 0.8774 0.0445 0.0334 -0.1379 1074 MET B CB 3035 C CG . MET B 195 ? 0.5322 0.7179 0.8863 0.0372 0.0427 -0.1680 1074 MET B CG 3036 S SD . MET B 195 ? 0.6167 0.8086 1.0134 0.0236 0.0587 -0.2237 1074 MET B SD 3037 C CE . MET B 195 ? 0.5779 0.8207 0.9223 0.0135 0.0732 -0.2579 1074 MET B CE 3038 N N . SER B 196 ? 0.4317 0.5331 0.8326 0.0379 0.0032 -0.0525 1075 SER B N 3039 C CA . SER B 196 ? 0.4477 0.5235 0.8892 0.0312 -0.0096 -0.0178 1075 SER B CA 3040 C C . SER B 196 ? 0.5123 0.5690 1.0465 0.0356 -0.0087 -0.0303 1075 SER B C 3041 O O . SER B 196 ? 0.5053 0.5700 1.0653 0.0406 0.0075 -0.0762 1075 SER B O 3042 C CB . SER B 196 ? 0.5013 0.5774 0.9336 0.0176 -0.0098 -0.0092 1075 SER B CB 3043 O OG . SER B 196 ? 0.6966 0.7748 1.1682 0.0143 -0.0004 -0.0459 1075 SER B OG 3044 N N . GLU B 197 ? 0.4980 0.5317 1.0848 0.0320 -0.0258 0.0105 1076 GLU B N 3045 C CA . GLU B 197 ? 0.5351 0.5465 1.2296 0.0368 -0.0257 0.0021 1076 GLU B CA 3046 C C . GLU B 197 ? 0.6328 0.6337 1.3556 0.0257 -0.0193 -0.0176 1076 GLU B C 3047 O O . GLU B 197 ? 0.6311 0.6362 1.3087 0.0117 -0.0260 0.0058 1076 GLU B O 3048 C CB . GLU B 197 ? 0.5761 0.5682 1.3278 0.0336 -0.0519 0.0611 1076 GLU B CB 3049 C CG . GLU B 197 ? 0.7601 0.7600 1.5244 0.0458 -0.0585 0.0731 1076 GLU B CG 3050 C CD . GLU B 197 ? 1.2549 1.2372 2.1337 0.0510 -0.0769 0.1074 1076 GLU B CD 3051 O OE1 . GLU B 197 ? 1.2923 1.2512 2.2477 0.0436 -0.0897 0.1329 1076 GLU B OE1 3052 O OE2 . GLU B 197 ? 1.2936 1.2868 2.1940 0.0624 -0.0792 0.1106 1076 GLU B OE2 3053 N N . ALA B 198 ? 0.6127 0.6035 1.4070 0.0303 -0.0033 -0.0660 1077 ALA B N 3054 C CA . ALA B 198 ? 0.6225 0.6022 1.4488 0.0177 0.0029 -0.0925 1077 ALA B CA 3055 C C . ALA B 198 ? 0.6794 0.6327 1.5554 0.0048 -0.0182 -0.0391 1077 ALA B C 3056 O O . ALA B 198 ? 0.6901 0.6234 1.6269 0.0079 -0.0357 0.0062 1077 ALA B O 3057 C CB . ALA B 198 ? 0.6547 0.6237 1.5591 0.0229 0.0243 -0.1558 1077 ALA B CB 3058 N N . VAL B 199 ? 0.6223 0.5818 1.4665 -0.0120 -0.0188 -0.0376 1078 VAL B N 3059 C CA . VAL B 199 ? 0.6378 0.5801 1.5182 -0.0303 -0.0353 0.0101 1078 VAL B CA 3060 C C . VAL B 199 ? 0.7385 0.6599 1.6977 -0.0386 -0.0268 -0.0323 1078 VAL B C 3061 O O . VAL B 199 ? 0.7314 0.6698 1.6594 -0.0405 -0.0100 -0.0902 1078 VAL B O 3062 C CB . VAL B 199 ? 0.6659 0.6377 1.4491 -0.0444 -0.0376 0.0399 1078 VAL B CB 3063 C CG1 . VAL B 199 ? 0.6873 0.6521 1.5039 -0.0675 -0.0442 0.0656 1078 VAL B CG1 3064 C CG2 . VAL B 199 ? 0.6555 0.6378 1.3806 -0.0438 -0.0498 0.0911 1078 VAL B CG2 3065 N N . GLN B 200 ? 0.7435 0.6284 1.8075 -0.0458 -0.0405 -0.0029 1079 GLN B N 3066 C CA . GLN B 200 ? 0.7728 0.6308 1.9244 -0.0555 -0.0335 -0.0434 1079 GLN B CA 3067 C C . GLN B 200 ? 0.8263 0.6830 1.9803 -0.0819 -0.0453 -0.0089 1079 GLN B C 3068 O O . GLN B 200 ? 0.8085 0.6683 1.9500 -0.0936 -0.0641 0.0635 1079 GLN B O 3069 C CB . GLN B 200 ? 0.8198 0.6340 2.1115 -0.0430 -0.0337 -0.0551 1079 GLN B CB 3070 C CG . GLN B 200 ? 1.0719 0.8433 2.4864 -0.0570 -0.0533 -0.0130 1079 GLN B CG 3071 C CD . GLN B 200 ? 1.2973 1.0254 2.8566 -0.0451 -0.0413 -0.0619 1079 GLN B CD 3072 O OE1 . GLN B 200 ? 1.3125 1.0220 2.9184 -0.0548 -0.0256 -0.1233 1079 GLN B OE1 3073 N NE2 . GLN B 200 ? 1.0953 0.8074 2.7352 -0.0250 -0.0482 -0.0374 1079 GLN B NE2 3074 N N . PHE B 201 ? 0.8034 0.6604 1.9694 -0.0944 -0.0337 -0.0619 1080 PHE B N 3075 C CA . PHE B 201 ? 0.8289 0.6857 2.0106 -0.1207 -0.0429 -0.0370 1080 PHE B CA 3076 C C . PHE B 201 ? 0.9399 0.7645 2.2169 -0.1324 -0.0367 -0.0937 1080 PHE B C 3077 O O . PHE B 201 ? 0.9401 0.7737 2.1987 -0.1291 -0.0187 -0.1699 1080 PHE B O 3078 C CB . PHE B 201 ? 0.8229 0.7318 1.8887 -0.1294 -0.0370 -0.0364 1080 PHE B CB 3079 C CG . PHE B 201 ? 0.8605 0.7780 1.9414 -0.1571 -0.0442 -0.0072 1080 PHE B CG 3080 C CD1 . PHE B 201 ? 0.8983 0.8242 1.9669 -0.1703 -0.0555 0.0684 1080 PHE B CD1 3081 C CD2 . PHE B 201 ? 0.9063 0.8279 2.0121 -0.1737 -0.0396 -0.0557 1080 PHE B CD2 3082 C CE1 . PHE B 201 ? 0.9308 0.8695 2.0167 -0.1978 -0.0591 0.0962 1080 PHE B CE1 3083 C CE2 . PHE B 201 ? 0.9590 0.8908 2.0865 -0.2004 -0.0466 -0.0271 1080 PHE B CE2 3084 C CZ . PHE B 201 ? 0.9351 0.8764 2.0536 -0.2114 -0.0548 0.0490 1080 PHE B CZ 3085 N N . ARG B 202 ? 0.9483 0.7364 2.3262 -0.1494 -0.0519 -0.0572 1081 ARG B N 3086 C CA . ARG B 202 ? 0.9974 0.7511 2.4711 -0.1643 -0.0466 -0.1120 1081 ARG B CA 3087 C C . ARG B 202 ? 1.0626 0.8399 2.5044 -0.1940 -0.0526 -0.1018 1081 ARG B C 3088 O O . ARG B 202 ? 1.0554 0.8415 2.4936 -0.2089 -0.0683 -0.0268 1081 ARG B O 3089 C CB . ARG B 202 ? 1.0561 0.7478 2.6865 -0.1637 -0.0592 -0.0859 1081 ARG B CB 3090 C CG . ARG B 202 ? 1.2247 0.8745 2.9604 -0.1697 -0.0442 -0.1703 1081 ARG B CG 3091 C CD . ARG B 202 ? 1.3696 0.9587 3.2680 -0.1808 -0.0620 -0.1334 1081 ARG B CD 3092 N NE . ARG B 202 ? 1.4936 1.0392 3.4965 -0.1877 -0.0444 -0.2233 1081 ARG B NE 3093 C CZ . ARG B 202 ? 1.6713 1.1766 3.7705 -0.1668 -0.0269 -0.2758 1081 ARG B CZ 3094 N NH1 . ARG B 202 ? 1.4143 0.9191 3.5430 -0.1366 -0.0278 -0.2437 1081 ARG B NH1 3095 N NH2 . ARG B 202 ? 1.5743 1.0413 3.7515 -0.1772 -0.0074 -0.3637 1081 ARG B NH2 3096 N N . THR B 203 ? 1.0324 0.8259 2.4479 -0.2052 -0.0400 -0.1763 1082 THR B N 3097 C CA . THR B 203 ? 1.0342 0.8543 2.4280 -0.2348 -0.0459 -0.1772 1082 THR B CA 3098 C C . THR B 203 ? 1.1500 0.9232 2.6696 -0.2589 -0.0601 -0.1514 1082 THR B C 3099 O O . THR B 203 ? 1.1950 0.9114 2.8256 -0.2538 -0.0599 -0.1718 1082 THR B O 3100 C CB . THR B 203 ? 1.0840 0.9306 2.4306 -0.2443 -0.0336 -0.2647 1082 THR B CB 3101 O OG1 . THR B 203 ? 1.0962 0.8982 2.5207 -0.2424 -0.0212 -0.3365 1082 THR B OG1 3102 C CG2 . THR B 203 ? 1.0082 0.9108 2.2261 -0.2271 -0.0247 -0.2754 1082 THR B CG2 3103 N N . PRO B 204 ? 1.1085 0.9042 2.6227 -0.2850 -0.0717 -0.1041 1083 PRO B N 3104 C CA . PRO B 204 ? 1.2120 0.9638 2.8492 -0.3107 -0.0871 -0.0710 1083 PRO B CA 3105 C C . PRO B 204 ? 1.7971 1.5089 3.5256 -0.3288 -0.0844 -0.1501 1083 PRO B C 3106 O O . PRO B 204 ? 1.3560 1.0824 3.0399 -0.3269 -0.0702 -0.2340 1083 PRO B O 3107 C CB . PRO B 204 ? 1.2109 1.0104 2.8018 -0.3349 -0.0950 -0.0064 1083 PRO B CB 3108 C CG . PRO B 204 ? 1.2022 1.0656 2.6687 -0.3268 -0.0820 -0.0387 1083 PRO B CG 3109 C CD . PRO B 204 ? 1.1043 0.9668 2.5113 -0.2923 -0.0702 -0.0752 1083 PRO B CD # 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 GLU 1 880 ? ? ? A . n A 1 2 THR 2 881 ? ? ? A . n A 1 3 GLY 3 882 ? ? ? A . n A 1 4 THR 4 883 883 THR THR A . n A 1 5 PRO 5 884 884 PRO PRO A . n A 1 6 MET 6 885 885 MET MET A . n A 1 7 MET 7 886 886 MET MET A . n A 1 8 PRO 8 887 887 PRO PRO A . n A 1 9 PRO 9 888 888 PRO PRO A . n A 1 10 VAL 10 889 889 VAL VAL A . n A 1 11 GLY 11 890 890 GLY GLY A . n A 1 12 VAL 12 891 891 VAL VAL A . n A 1 13 GLN 13 892 892 GLN GLN A . n A 1 14 ALA 14 893 893 ALA ALA A . n A 1 15 SER 15 894 894 SER SER A . n A 1 16 ILE 16 895 895 ILE ILE A . n A 1 17 LEU 17 896 896 LEU LEU A . n A 1 18 SER 18 897 897 SER SER A . n A 1 19 HIS 19 898 898 HIS HIS A . n A 1 20 ASP 20 899 899 ASP ASP A . n A 1 21 THR 21 900 900 THR THR A . n A 1 22 ILE 22 901 901 ILE ILE A . n A 1 23 ARG 23 902 902 ARG ARG A . n A 1 24 ILE 24 903 903 ILE ILE A . n A 1 25 THR 25 904 904 THR THR A . n A 1 26 TRP 26 905 905 TRP TRP A . n A 1 27 ALA 27 906 906 ALA ALA A . n A 1 28 ASP 28 907 907 ASP ASP A . n A 1 29 ASN 29 908 908 ASN ASN A . n A 1 30 SER 30 909 909 SER SER A . n A 1 31 LEU 31 910 910 LEU LEU A . n A 1 32 PRO 32 911 911 PRO PRO A . n A 1 33 LYS 33 912 912 LYS LYS A . n A 1 34 HIS 34 913 913 HIS HIS A . n A 1 35 GLN 35 914 914 GLN GLN A . n A 1 36 LYS 36 915 915 LYS LYS A . n A 1 37 ILE 37 916 916 ILE ILE A . n A 1 38 THR 38 917 917 THR THR A . n A 1 39 ASP 39 918 918 ASP ASP A . n A 1 40 SER 40 919 919 SER SER A . n A 1 41 ARG 41 920 920 ARG ARG A . n A 1 42 TYR 42 921 921 TYR TYR A . n A 1 43 TYR 43 922 922 TYR TYR A . n A 1 44 THR 44 923 923 THR THR A . n A 1 45 VAL 45 924 924 VAL VAL A . n A 1 46 ARG 46 925 925 ARG ARG A . n A 1 47 TRP 47 926 926 TRP TRP A . n A 1 48 LYS 48 927 927 LYS LYS A . n A 1 49 THR 49 928 928 THR THR A . n A 1 50 ASN 50 929 929 ASN ASN A . n A 1 51 ILE 51 930 930 ILE ILE A . n A 1 52 PRO 52 931 931 PRO PRO A . n A 1 53 ALA 53 932 932 ALA ALA A . n A 1 54 ASN 54 933 933 ASN ASN A . n A 1 55 THR 55 934 934 THR THR A . n A 1 56 LYS 56 935 935 LYS LYS A . n A 1 57 TYR 57 936 936 TYR TYR A . n A 1 58 LYS 58 937 937 LYS LYS A . n A 1 59 ASN 59 938 938 ASN ASN A . n A 1 60 ALA 60 939 939 ALA ALA A . n A 1 61 ASN 61 940 940 ASN ASN A . n A 1 62 ALA 62 941 941 ALA ALA A . n A 1 63 THR 63 942 942 THR THR A . n A 1 64 THR 64 943 943 THR THR A . n A 1 65 LEU 65 944 944 LEU LEU A . n A 1 66 SER 66 945 945 SER SER A . n A 1 67 TYR 67 946 946 TYR TYR A . n A 1 68 LEU 68 947 947 LEU LEU A . n A 1 69 VAL 69 948 948 VAL VAL A . n A 1 70 THR 70 949 949 THR THR A . n A 1 71 GLY 71 950 950 GLY GLY A . n A 1 72 LEU 72 951 951 LEU LEU A . n A 1 73 LYS 73 952 952 LYS LYS A . n A 1 74 PRO 74 953 953 PRO PRO A . n A 1 75 ASN 75 954 954 ASN ASN A . n A 1 76 THR 76 955 955 THR THR A . n A 1 77 LEU 77 956 956 LEU LEU A . n A 1 78 TYR 78 957 957 TYR TYR A . n A 1 79 GLU 79 958 958 GLU GLU A . n A 1 80 PHE 80 959 959 PHE PHE A . n A 1 81 SER 81 960 960 SER SER A . n A 1 82 VAL 82 961 961 VAL VAL A . n A 1 83 MET 83 962 962 MET MET A . n A 1 84 VAL 84 963 963 VAL VAL A . n A 1 85 THR 85 964 964 THR THR A . n A 1 86 LYS 86 965 965 LYS LYS A . n A 1 87 GLY 87 966 966 GLY GLY A . n A 1 88 ARG 88 967 967 ARG ARG A . n A 1 89 ARG 89 968 968 ARG ARG A . n A 1 90 SER 90 969 969 SER SER A . n A 1 91 SER 91 970 970 SER SER A . n A 1 92 THR 92 971 971 THR THR A . n A 1 93 TRP 93 972 972 TRP TRP A . n A 1 94 SER 94 973 973 SER SER A . n A 1 95 MET 95 974 974 MET MET A . n A 1 96 THR 96 975 975 THR THR A . n A 1 97 ALA 97 976 976 ALA ALA A . n A 1 98 HIS 98 977 977 HIS HIS A . n A 1 99 GLY 99 978 978 GLY GLY A . n A 1 100 ALA 100 979 979 ALA ALA A . n A 1 101 THR 101 980 980 THR THR A . n A 1 102 PHE 102 981 981 PHE PHE A . n A 1 103 GLU 103 982 982 GLU GLU A . n A 1 104 LEU 104 983 983 LEU LEU A . n A 1 105 VAL 105 984 984 VAL VAL A . n A 1 106 PRO 106 985 985 PRO PRO A . n A 1 107 THR 107 986 986 THR THR A . n A 1 108 SER 108 987 987 SER SER A . n A 1 109 PRO 109 988 988 PRO PRO A . n A 1 110 PRO 110 989 989 PRO PRO A . n A 1 111 LYS 111 990 990 LYS LYS A . n A 1 112 ASP 112 991 991 ASP ASP A . n A 1 113 VAL 113 992 992 VAL VAL A . n A 1 114 THR 114 993 993 THR THR A . n A 1 115 VAL 115 994 994 VAL VAL A . n A 1 116 VAL 116 995 995 VAL VAL A . n A 1 117 SER 117 996 996 SER SER A . n A 1 118 LYS 118 997 997 LYS LYS A . n A 1 119 GLU 119 998 998 GLU GLU A . n A 1 120 GLY 120 999 999 GLY GLY A . n A 1 121 LYS 121 1000 1000 LYS LYS A . n A 1 122 PRO 122 1001 1001 PRO PRO A . n A 1 123 ARG 123 1002 1002 ARG ARG A . n A 1 124 THR 124 1003 1003 THR THR A . n A 1 125 ILE 125 1004 1004 ILE ILE A . n A 1 126 ILE 126 1005 1005 ILE ILE A . n A 1 127 VAL 127 1006 1006 VAL VAL A . n A 1 128 ASN 128 1007 1007 ASN ASN A . n A 1 129 TRP 129 1008 1008 TRP TRP A . n A 1 130 GLN 130 1009 1009 GLN GLN A . n A 1 131 PRO 131 1010 1010 PRO PRO A . n A 1 132 PRO 132 1011 1011 PRO PRO A . n A 1 133 SER 133 1012 1012 SER SER A . n A 1 134 GLU 134 1013 1013 GLU GLU A . n A 1 135 ALA 135 1014 1014 ALA ALA A . n A 1 136 ASN 136 1015 1015 ASN ASN A . n A 1 137 GLY 137 1016 1016 GLY GLY A . n A 1 138 LYS 138 1017 1017 LYS LYS A . n A 1 139 ILE 139 1018 1018 ILE ILE A . n A 1 140 THR 140 1019 1019 THR THR A . n A 1 141 GLY 141 1020 1020 GLY GLY A . n A 1 142 TYR 142 1021 1021 TYR TYR A . n A 1 143 ILE 143 1022 1022 ILE ILE A . n A 1 144 ILE 144 1023 1023 ILE ILE A . n A 1 145 TYR 145 1024 1024 TYR TYR A . n A 1 146 TYR 146 1025 1025 TYR TYR A . n A 1 147 SER 147 1026 1026 SER SER A . n A 1 148 THR 148 1027 1027 THR THR A . n A 1 149 ASP 149 1028 1028 ASP ASP A . n A 1 150 VAL 150 1029 1029 VAL VAL A . n A 1 151 ASN 151 1030 1030 ASN ASN A . n A 1 152 ALA 152 1031 1031 ALA ALA A . n A 1 153 GLU 153 1032 1032 GLU GLU A . n A 1 154 ILE 154 1033 1033 ILE ILE A . n A 1 155 HIS 155 1034 1034 HIS HIS A . n A 1 156 ASP 156 1035 1035 ASP ASP A . n A 1 157 TRP 157 1036 1036 TRP TRP A . n A 1 158 VAL 158 1037 1037 VAL VAL A . n A 1 159 ILE 159 1038 1038 ILE ILE A . n A 1 160 GLU 160 1039 1039 GLU GLU A . n A 1 161 PRO 161 1040 1040 PRO PRO A . n A 1 162 VAL 162 1041 1041 VAL VAL A . n A 1 163 VAL 163 1042 1042 VAL VAL A . n A 1 164 GLY 164 1043 1043 GLY GLY A . n A 1 165 ASN 165 1044 1044 ASN ASN A . n A 1 166 ARG 166 1045 1045 ARG ARG A . n A 1 167 LEU 167 1046 1046 LEU LEU A . n A 1 168 THR 168 1047 1047 THR THR A . n A 1 169 HIS 169 1048 1048 HIS HIS A . n A 1 170 GLN 170 1049 1049 GLN GLN A . n A 1 171 ILE 171 1050 1050 ILE ILE A . n A 1 172 GLN 172 1051 1051 GLN GLN A . n A 1 173 GLU 173 1052 1052 GLU GLU A . n A 1 174 LEU 174 1053 1053 LEU LEU A . n A 1 175 THR 175 1054 1054 THR THR A . n A 1 176 LEU 176 1055 1055 LEU LEU A . n A 1 177 ASP 177 1056 1056 ASP ASP A . n A 1 178 THR 178 1057 1057 THR THR A . n A 1 179 PRO 179 1058 1058 PRO PRO A . n A 1 180 TYR 180 1059 1059 TYR TYR A . n A 1 181 TYR 181 1060 1060 TYR TYR A . n A 1 182 PHE 182 1061 1061 PHE PHE A . n A 1 183 LYS 183 1062 1062 LYS LYS A . n A 1 184 ILE 184 1063 1063 ILE ILE A . n A 1 185 GLN 185 1064 1064 GLN GLN A . n A 1 186 ALA 186 1065 1065 ALA ALA A . n A 1 187 ARG 187 1066 1066 ARG ARG A . n A 1 188 ASN 188 1067 1067 ASN ASN A . n A 1 189 SER 189 1068 1068 SER SER A . n A 1 190 LYS 190 1069 1069 LYS LYS A . n A 1 191 GLY 191 1070 1070 GLY GLY A . n A 1 192 MET 192 1071 1071 MET MET A . n A 1 193 GLY 193 1072 1072 GLY GLY A . n A 1 194 PRO 194 1073 1073 PRO PRO A . n A 1 195 MET 195 1074 1074 MET MET A . n A 1 196 SER 196 1075 1075 SER SER A . n A 1 197 GLU 197 1076 1076 GLU GLU A . n A 1 198 ALA 198 1077 1077 ALA ALA A . n A 1 199 VAL 199 1078 1078 VAL VAL A . n A 1 200 GLN 200 1079 1079 GLN GLN A . n A 1 201 PHE 201 1080 1080 PHE PHE A . n A 1 202 ARG 202 1081 1081 ARG ARG A . n A 1 203 THR 203 1082 1082 THR THR A . n A 1 204 PRO 204 1083 1083 PRO PRO A . n A 1 205 GLY 205 1084 1084 GLY GLY A . n A 1 206 THR 206 1085 1085 THR THR A . n A 1 207 LYS 207 1086 1086 LYS LYS A . n A 1 208 HIS 208 1087 1087 HIS HIS A . n A 1 209 HIS 209 1088 ? ? ? A . n A 1 210 HIS 210 1089 ? ? ? A . n A 1 211 HIS 211 1090 ? ? ? A . n A 1 212 HIS 212 1091 ? ? ? A . n A 1 213 HIS 213 1092 ? ? ? A . n B 1 1 GLU 1 880 ? ? ? B . n B 1 2 THR 2 881 ? ? ? B . n B 1 3 GLY 3 882 ? ? ? B . n B 1 4 THR 4 883 ? ? ? B . n B 1 5 PRO 5 884 884 PRO PRO B . n B 1 6 MET 6 885 885 MET MET B . n B 1 7 MET 7 886 886 MET MET B . n B 1 8 PRO 8 887 887 PRO PRO B . n B 1 9 PRO 9 888 888 PRO PRO B . n B 1 10 VAL 10 889 889 VAL VAL B . n B 1 11 GLY 11 890 890 GLY GLY B . n B 1 12 VAL 12 891 891 VAL VAL B . n B 1 13 GLN 13 892 892 GLN GLN B . n B 1 14 ALA 14 893 893 ALA ALA B . n B 1 15 SER 15 894 894 SER SER B . n B 1 16 ILE 16 895 895 ILE ILE B . n B 1 17 LEU 17 896 896 LEU LEU B . n B 1 18 SER 18 897 897 SER SER B . n B 1 19 HIS 19 898 898 HIS HIS B . n B 1 20 ASP 20 899 899 ASP ASP B . n B 1 21 THR 21 900 900 THR THR B . n B 1 22 ILE 22 901 901 ILE ILE B . n B 1 23 ARG 23 902 902 ARG ARG B . n B 1 24 ILE 24 903 903 ILE ILE B . n B 1 25 THR 25 904 904 THR THR B . n B 1 26 TRP 26 905 905 TRP TRP B . n B 1 27 ALA 27 906 906 ALA ALA B . n B 1 28 ASP 28 907 907 ASP ASP B . n B 1 29 ASN 29 908 908 ASN ASN B . n B 1 30 SER 30 909 909 SER SER B . n B 1 31 LEU 31 910 910 LEU LEU B . n B 1 32 PRO 32 911 911 PRO PRO B . n B 1 33 LYS 33 912 ? ? ? B . n B 1 34 HIS 34 913 ? ? ? B . n B 1 35 GLN 35 914 ? ? ? B . n B 1 36 LYS 36 915 ? ? ? B . n B 1 37 ILE 37 916 ? ? ? B . n B 1 38 THR 38 917 917 THR THR B . n B 1 39 ASP 39 918 918 ASP ASP B . n B 1 40 SER 40 919 919 SER SER B . n B 1 41 ARG 41 920 920 ARG ARG B . n B 1 42 TYR 42 921 921 TYR TYR B . n B 1 43 TYR 43 922 922 TYR TYR B . n B 1 44 THR 44 923 923 THR THR B . n B 1 45 VAL 45 924 924 VAL VAL B . n B 1 46 ARG 46 925 925 ARG ARG B . n B 1 47 TRP 47 926 926 TRP TRP B . n B 1 48 LYS 48 927 927 LYS LYS B . n B 1 49 THR 49 928 928 THR THR B . n B 1 50 ASN 50 929 929 ASN ASN B . n B 1 51 ILE 51 930 930 ILE ILE B . n B 1 52 PRO 52 931 ? ? ? B . n B 1 53 ALA 53 932 ? ? ? B . n B 1 54 ASN 54 933 ? ? ? B . n B 1 55 THR 55 934 934 THR THR B . n B 1 56 LYS 56 935 935 LYS LYS B . n B 1 57 TYR 57 936 936 TYR TYR B . n B 1 58 LYS 58 937 937 LYS LYS B . n B 1 59 ASN 59 938 938 ASN ASN B . n B 1 60 ALA 60 939 939 ALA ALA B . n B 1 61 ASN 61 940 940 ASN ASN B . n B 1 62 ALA 62 941 941 ALA ALA B . n B 1 63 THR 63 942 942 THR THR B . n B 1 64 THR 64 943 943 THR THR B . n B 1 65 LEU 65 944 944 LEU LEU B . n B 1 66 SER 66 945 945 SER SER B . n B 1 67 TYR 67 946 946 TYR TYR B . n B 1 68 LEU 68 947 947 LEU LEU B . n B 1 69 VAL 69 948 948 VAL VAL B . n B 1 70 THR 70 949 949 THR THR B . n B 1 71 GLY 71 950 950 GLY GLY B . n B 1 72 LEU 72 951 951 LEU LEU B . n B 1 73 LYS 73 952 952 LYS LYS B . n B 1 74 PRO 74 953 953 PRO PRO B . n B 1 75 ASN 75 954 954 ASN ASN B . n B 1 76 THR 76 955 955 THR THR B . n B 1 77 LEU 77 956 956 LEU LEU B . n B 1 78 TYR 78 957 957 TYR TYR B . n B 1 79 GLU 79 958 958 GLU GLU B . n B 1 80 PHE 80 959 959 PHE PHE B . n B 1 81 SER 81 960 960 SER SER B . n B 1 82 VAL 82 961 961 VAL VAL B . n B 1 83 MET 83 962 962 MET MET B . n B 1 84 VAL 84 963 963 VAL VAL B . n B 1 85 THR 85 964 964 THR THR B . n B 1 86 LYS 86 965 ? ? ? B . n B 1 87 GLY 87 966 ? ? ? B . n B 1 88 ARG 88 967 ? ? ? B . n B 1 89 ARG 89 968 ? ? ? B . n B 1 90 SER 90 969 ? ? ? B . n B 1 91 SER 91 970 970 SER SER B . n B 1 92 THR 92 971 971 THR THR B . n B 1 93 TRP 93 972 972 TRP TRP B . n B 1 94 SER 94 973 973 SER SER B . n B 1 95 MET 95 974 974 MET MET B . n B 1 96 THR 96 975 975 THR THR B . n B 1 97 ALA 97 976 976 ALA ALA B . n B 1 98 HIS 98 977 977 HIS HIS B . n B 1 99 GLY 99 978 978 GLY GLY B . n B 1 100 ALA 100 979 979 ALA ALA B . n B 1 101 THR 101 980 980 THR THR B . n B 1 102 PHE 102 981 981 PHE PHE B . n B 1 103 GLU 103 982 982 GLU GLU B . n B 1 104 LEU 104 983 983 LEU LEU B . n B 1 105 VAL 105 984 984 VAL VAL B . n B 1 106 PRO 106 985 985 PRO PRO B . n B 1 107 THR 107 986 986 THR THR B . n B 1 108 SER 108 987 987 SER SER B . n B 1 109 PRO 109 988 988 PRO PRO B . n B 1 110 PRO 110 989 989 PRO PRO B . n B 1 111 LYS 111 990 990 LYS LYS B . n B 1 112 ASP 112 991 991 ASP ASP B . n B 1 113 VAL 113 992 992 VAL VAL B . n B 1 114 THR 114 993 993 THR THR B . n B 1 115 VAL 115 994 994 VAL VAL B . n B 1 116 VAL 116 995 995 VAL VAL B . n B 1 117 SER 117 996 996 SER SER B . n B 1 118 LYS 118 997 997 LYS LYS B . n B 1 119 GLU 119 998 998 GLU GLU B . n B 1 120 GLY 120 999 999 GLY GLY B . n B 1 121 LYS 121 1000 1000 LYS LYS B . n B 1 122 PRO 122 1001 1001 PRO PRO B . n B 1 123 ARG 123 1002 1002 ARG ARG B . n B 1 124 THR 124 1003 1003 THR THR B . n B 1 125 ILE 125 1004 1004 ILE ILE B . n B 1 126 ILE 126 1005 1005 ILE ILE B . n B 1 127 VAL 127 1006 1006 VAL VAL B . n B 1 128 ASN 128 1007 1007 ASN ASN B . n B 1 129 TRP 129 1008 1008 TRP TRP B . n B 1 130 GLN 130 1009 1009 GLN GLN B . n B 1 131 PRO 131 1010 1010 PRO PRO B . n B 1 132 PRO 132 1011 1011 PRO PRO B . n B 1 133 SER 133 1012 1012 SER SER B . n B 1 134 GLU 134 1013 1013 GLU GLU B . n B 1 135 ALA 135 1014 1014 ALA ALA B . n B 1 136 ASN 136 1015 1015 ASN ASN B . n B 1 137 GLY 137 1016 1016 GLY GLY B . n B 1 138 LYS 138 1017 1017 LYS LYS B . n B 1 139 ILE 139 1018 1018 ILE ILE B . n B 1 140 THR 140 1019 1019 THR THR B . n B 1 141 GLY 141 1020 1020 GLY GLY B . n B 1 142 TYR 142 1021 1021 TYR TYR B . n B 1 143 ILE 143 1022 1022 ILE ILE B . n B 1 144 ILE 144 1023 1023 ILE ILE B . n B 1 145 TYR 145 1024 1024 TYR TYR B . n B 1 146 TYR 146 1025 1025 TYR TYR B . n B 1 147 SER 147 1026 1026 SER SER B . n B 1 148 THR 148 1027 1027 THR THR B . n B 1 149 ASP 149 1028 1028 ASP ASP B . n B 1 150 VAL 150 1029 1029 VAL VAL B . n B 1 151 ASN 151 1030 1030 ASN ASN B . n B 1 152 ALA 152 1031 1031 ALA ALA B . n B 1 153 GLU 153 1032 1032 GLU GLU B . n B 1 154 ILE 154 1033 1033 ILE ILE B . n B 1 155 HIS 155 1034 1034 HIS HIS B . n B 1 156 ASP 156 1035 1035 ASP ASP B . n B 1 157 TRP 157 1036 1036 TRP TRP B . n B 1 158 VAL 158 1037 1037 VAL VAL B . n B 1 159 ILE 159 1038 1038 ILE ILE B . n B 1 160 GLU 160 1039 1039 GLU GLU B . n B 1 161 PRO 161 1040 1040 PRO PRO B . n B 1 162 VAL 162 1041 1041 VAL VAL B . n B 1 163 VAL 163 1042 1042 VAL VAL B . n B 1 164 GLY 164 1043 1043 GLY GLY B . n B 1 165 ASN 165 1044 1044 ASN ASN B . n B 1 166 ARG 166 1045 1045 ARG ARG B . n B 1 167 LEU 167 1046 1046 LEU LEU B . n B 1 168 THR 168 1047 1047 THR THR B . n B 1 169 HIS 169 1048 1048 HIS HIS B . n B 1 170 GLN 170 1049 1049 GLN GLN B . n B 1 171 ILE 171 1050 1050 ILE ILE B . n B 1 172 GLN 172 1051 1051 GLN GLN B . n B 1 173 GLU 173 1052 1052 GLU GLU B . n B 1 174 LEU 174 1053 1053 LEU LEU B . n B 1 175 THR 175 1054 1054 THR THR B . n B 1 176 LEU 176 1055 1055 LEU LEU B . n B 1 177 ASP 177 1056 1056 ASP ASP B . n B 1 178 THR 178 1057 1057 THR THR B . n B 1 179 PRO 179 1058 1058 PRO PRO B . n B 1 180 TYR 180 1059 1059 TYR TYR B . n B 1 181 TYR 181 1060 1060 TYR TYR B . n B 1 182 PHE 182 1061 1061 PHE PHE B . n B 1 183 LYS 183 1062 1062 LYS LYS B . n B 1 184 ILE 184 1063 1063 ILE ILE B . n B 1 185 GLN 185 1064 1064 GLN GLN B . n B 1 186 ALA 186 1065 1065 ALA ALA B . n B 1 187 ARG 187 1066 1066 ARG ARG B . n B 1 188 ASN 188 1067 1067 ASN ASN B . n B 1 189 SER 189 1068 1068 SER SER B . n B 1 190 LYS 190 1069 1069 LYS LYS B . n B 1 191 GLY 191 1070 1070 GLY GLY B . n B 1 192 MET 192 1071 1071 MET MET B . n B 1 193 GLY 193 1072 1072 GLY GLY B . n B 1 194 PRO 194 1073 1073 PRO PRO B . n B 1 195 MET 195 1074 1074 MET MET B . n B 1 196 SER 196 1075 1075 SER SER B . n B 1 197 GLU 197 1076 1076 GLU GLU B . n B 1 198 ALA 198 1077 1077 ALA ALA B . n B 1 199 VAL 199 1078 1078 VAL VAL B . n B 1 200 GLN 200 1079 1079 GLN GLN B . n B 1 201 PHE 201 1080 1080 PHE PHE B . n B 1 202 ARG 202 1081 1081 ARG ARG B . n B 1 203 THR 203 1082 1082 THR THR B . n B 1 204 PRO 204 1083 1083 PRO PRO B . n B 1 205 GLY 205 1084 ? ? ? B . n B 1 206 THR 206 1085 ? ? ? B . n B 1 207 LYS 207 1086 ? ? ? B . n B 1 208 HIS 208 1087 ? ? ? B . n B 1 209 HIS 209 1088 ? ? ? B . n B 1 210 HIS 210 1089 ? ? ? B . n B 1 211 HIS 211 1090 ? ? ? B . n B 1 212 HIS 212 1091 ? ? ? B . n B 1 213 HIS 213 1092 ? ? ? B . 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 C 2 NAG 1 2088 2088 NAG NAG A . D 2 NAG 1 2084 2084 NAG NAG B . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 61 A ASN 940 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 61 B ASN 940 ? ASN 'GLYCOSYLATION SITE' # 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_and_software_defined_assembly PISA monomeric 1 2 author_and_software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C 2 1 B,D # _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_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 2013-06-12 2 'Structure model' 1 1 2013-06-19 3 'Structure model' 1 2 2013-07-17 # _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 ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Database references' # 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 58.0909 -14.0635 -21.9490 0.1606 -0.3419 -0.2006 -0.0116 0.0124 -0.0202 4.3798 9.2761 5.3320 -0.1417 -0.0006 -1.0751 -0.1721 0.5230 -0.5888 -1.2004 0.1118 0.2117 0.2940 -0.2185 0.0603 'X-RAY DIFFRACTION' 2 ? refined 43.9611 2.5283 17.5373 0.1471 -0.2342 -0.0612 0.0788 -0.0272 -0.0023 2.5206 1.1963 7.6616 0.7440 -3.1382 -0.3518 0.1037 0.0432 0.1546 -0.3775 -0.2250 0.0307 0.0265 0.0260 0.1212 'X-RAY DIFFRACTION' 3 ? refined 73.7176 -10.9528 -6.3794 -0.0924 -0.1899 0.3048 0.0635 -0.1941 -0.1753 3.6968 3.0806 2.2092 0.0669 0.7196 0.5423 -0.3684 -0.6248 0.7979 0.5812 0.5049 -1.4241 -0.2347 0.7352 -0.1365 'X-RAY DIFFRACTION' 4 ? refined 60.7671 -51.5162 -14.9812 -0.3058 -0.1350 0.1427 -0.0370 0.0122 -0.1388 8.5666 5.1660 2.3664 3.4033 0.2488 -0.9272 -0.0696 0.5769 -1.7658 -0.1500 0.1442 -0.0760 0.5263 -0.4719 -0.0746 # 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 ? ? ? ? ? ? ? ? ? '{ A|883 - A|982 }' 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? '{ A|983 - A|1087 }' 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? '{ B|884 - B|982 }' 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? '{ B|983 - B|1083 }' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal BUSTER refinement 2.11.2 ? 1 DENZO 'data reduction' . ? 2 SCALEPACK 'data scaling' . ? 3 PHASER phasing . ? 4 # _pdbx_entry_details.entry_id 4BQ9 _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ;N-ACETYL-D-GLUCOSAMINE (NAG): N-LINKED GLYCOSYLATION OF NEO1 ASN940 ; _pdbx_entry_details.sequence_details ? # 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 LYS A 912 ? ? -38.18 -36.56 2 1 LEU A 944 ? ? -89.05 42.05 3 1 ASP A 991 ? ? 39.88 53.74 4 1 GLU A 1013 ? ? -100.72 66.45 5 1 ASN A 1015 ? ? 58.02 14.21 6 1 LYS A 1086 ? ? -91.07 -63.32 7 1 LEU B 944 ? ? -89.25 42.01 8 1 GLU B 1013 ? ? -100.44 67.79 # 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 GLU 880 ? A GLU 1 2 1 Y 1 A THR 881 ? A THR 2 3 1 Y 1 A GLY 882 ? A GLY 3 4 1 Y 1 A HIS 1088 ? A HIS 209 5 1 Y 1 A HIS 1089 ? A HIS 210 6 1 Y 1 A HIS 1090 ? A HIS 211 7 1 Y 1 A HIS 1091 ? A HIS 212 8 1 Y 1 A HIS 1092 ? A HIS 213 9 1 Y 1 B GLU 880 ? B GLU 1 10 1 Y 1 B THR 881 ? B THR 2 11 1 Y 1 B GLY 882 ? B GLY 3 12 1 Y 1 B THR 883 ? B THR 4 13 1 Y 1 B LYS 912 ? B LYS 33 14 1 Y 1 B HIS 913 ? B HIS 34 15 1 Y 1 B GLN 914 ? B GLN 35 16 1 Y 1 B LYS 915 ? B LYS 36 17 1 Y 1 B ILE 916 ? B ILE 37 18 1 Y 1 B PRO 931 ? B PRO 52 19 1 Y 1 B ALA 932 ? B ALA 53 20 1 Y 1 B ASN 933 ? B ASN 54 21 1 Y 1 B LYS 965 ? B LYS 86 22 1 Y 1 B GLY 966 ? B GLY 87 23 1 Y 1 B ARG 967 ? B ARG 88 24 1 Y 1 B ARG 968 ? B ARG 89 25 1 Y 1 B SER 969 ? B SER 90 26 1 Y 1 B GLY 1084 ? B GLY 205 27 1 Y 1 B THR 1085 ? B THR 206 28 1 Y 1 B LYS 1086 ? B LYS 207 29 1 Y 1 B HIS 1087 ? B HIS 208 30 1 Y 1 B HIS 1088 ? B HIS 209 31 1 Y 1 B HIS 1089 ? B HIS 210 32 1 Y 1 B HIS 1090 ? B HIS 211 33 1 Y 1 B HIS 1091 ? B HIS 212 34 1 Y 1 B HIS 1092 ? B HIS 213 # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name N-ACETYL-D-GLUCOSAMINE _pdbx_entity_nonpoly.comp_id NAG #