data_5HY9 # _entry.id 5HY9 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5HY9 WWPDB D_1000217930 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5HY9 _pdbx_database_status.recvd_initial_deposition_date 2016-02-01 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Kuglstatter, A.' 1 'Stihle, M.' 2 'Benz, J.' 3 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country UK _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'Protein Eng. Des. Sel.' _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 1741-0134 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 30 _citation.language ? _citation.page_first 649 _citation.page_last 656 _citation.title ;Structural differences between glycosylated, disulfide-linked heterodimeric Knob-into-Hole Fc fragment and its homodimeric Knob-Knob and Hole-Hole side products. ; _citation.year 2017 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1093/protein/gzx041 _citation.pdbx_database_id_PubMed 28985438 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Kuglstatter, A.' 1 primary 'Stihle, M.' 2 primary 'Neumann, C.' 3 primary 'Muller, C.' 4 primary 'Schaefer, W.' 5 primary 'Klein, C.' 6 primary 'Benz, J.' 7 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 120.00 _cell.angle_gamma_esd ? _cell.entry_id 5HY9 _cell.details ? _cell.formula_units_Z ? _cell.length_a 151.813 _cell.length_a_esd ? _cell.length_b 151.813 _cell.length_b_esd ? _cell.length_c 113.869 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 12 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5HY9 _symmetry.cell_setting ? _symmetry.Int_Tables_number 178 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 61 2 2' _symmetry.pdbx_full_space_group_name_H-M ? # 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 'Ig gamma-1 chain C region' 25682.125 1 ? 'T366W, S354C' ? 'Knob protein' 2 polymer man 'Ig gamma-1 chain C region' 25400.775 1 ? ? ? 'Hole protein' 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 7 ? ? ? ? 4 non-polymer man BETA-D-MANNOSE 180.156 5 ? ? ? ? 5 non-polymer man BETA-D-GALACTOSE 180.156 1 ? ? ? ? 6 non-polymer man ALPHA-L-FUCOSE 164.156 2 ? ? ? ? 7 water nat water 18.015 39 ? ? ? ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;DKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTY RVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPCRDELTKNQVSLWCLVKGFYPSDIAVE WESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK ; ;DKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTY RVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPCRDELTKNQVSLWCLVKGFYPSDIAVE WESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK ; A ? 2 'polypeptide(L)' no no ;DKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTY RVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVCTLPPSRDELTKNQVSLSCAVKGFYPSDIAVE WESNGQPENNYKTTPPVLDSDGSFFLVSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK ; ;DKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTY RVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVCTLPPSRDELTKNQVSLSCAVKGFYPSDIAVE WESNGQPENNYKTTPPVLDSDGSFFLVSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK ; B ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ASP n 1 2 LYS n 1 3 THR n 1 4 HIS n 1 5 THR n 1 6 CYS n 1 7 PRO n 1 8 PRO n 1 9 CYS n 1 10 PRO n 1 11 ALA n 1 12 PRO n 1 13 GLU n 1 14 LEU n 1 15 LEU n 1 16 GLY n 1 17 GLY n 1 18 PRO n 1 19 SER n 1 20 VAL n 1 21 PHE n 1 22 LEU n 1 23 PHE n 1 24 PRO n 1 25 PRO n 1 26 LYS n 1 27 PRO n 1 28 LYS n 1 29 ASP n 1 30 THR n 1 31 LEU n 1 32 MET n 1 33 ILE n 1 34 SER n 1 35 ARG n 1 36 THR n 1 37 PRO n 1 38 GLU n 1 39 VAL n 1 40 THR n 1 41 CYS n 1 42 VAL n 1 43 VAL n 1 44 VAL n 1 45 ASP n 1 46 VAL n 1 47 SER n 1 48 HIS n 1 49 GLU n 1 50 ASP n 1 51 PRO n 1 52 GLU n 1 53 VAL n 1 54 LYS n 1 55 PHE n 1 56 ASN n 1 57 TRP n 1 58 TYR n 1 59 VAL n 1 60 ASP n 1 61 GLY n 1 62 VAL n 1 63 GLU n 1 64 VAL n 1 65 HIS n 1 66 ASN n 1 67 ALA n 1 68 LYS n 1 69 THR n 1 70 LYS n 1 71 PRO n 1 72 ARG n 1 73 GLU n 1 74 GLU n 1 75 GLN n 1 76 TYR n 1 77 ASN n 1 78 SER n 1 79 THR n 1 80 TYR n 1 81 ARG n 1 82 VAL n 1 83 VAL n 1 84 SER n 1 85 VAL n 1 86 LEU n 1 87 THR n 1 88 VAL n 1 89 LEU n 1 90 HIS n 1 91 GLN n 1 92 ASP n 1 93 TRP n 1 94 LEU n 1 95 ASN n 1 96 GLY n 1 97 LYS n 1 98 GLU n 1 99 TYR n 1 100 LYS n 1 101 CYS n 1 102 LYS n 1 103 VAL n 1 104 SER n 1 105 ASN n 1 106 LYS n 1 107 ALA n 1 108 LEU n 1 109 PRO n 1 110 ALA n 1 111 PRO n 1 112 ILE n 1 113 GLU n 1 114 LYS n 1 115 THR n 1 116 ILE n 1 117 SER n 1 118 LYS n 1 119 ALA n 1 120 LYS n 1 121 GLY n 1 122 GLN n 1 123 PRO n 1 124 ARG n 1 125 GLU n 1 126 PRO n 1 127 GLN n 1 128 VAL n 1 129 TYR n 1 130 THR n 1 131 LEU n 1 132 PRO n 1 133 PRO n 1 134 CYS n 1 135 ARG n 1 136 ASP n 1 137 GLU n 1 138 LEU n 1 139 THR n 1 140 LYS n 1 141 ASN n 1 142 GLN n 1 143 VAL n 1 144 SER n 1 145 LEU n 1 146 TRP n 1 147 CYS n 1 148 LEU n 1 149 VAL n 1 150 LYS n 1 151 GLY n 1 152 PHE n 1 153 TYR n 1 154 PRO n 1 155 SER n 1 156 ASP n 1 157 ILE n 1 158 ALA n 1 159 VAL n 1 160 GLU n 1 161 TRP n 1 162 GLU n 1 163 SER n 1 164 ASN n 1 165 GLY n 1 166 GLN n 1 167 PRO n 1 168 GLU n 1 169 ASN n 1 170 ASN n 1 171 TYR n 1 172 LYS n 1 173 THR n 1 174 THR n 1 175 PRO n 1 176 PRO n 1 177 VAL n 1 178 LEU n 1 179 ASP n 1 180 SER n 1 181 ASP n 1 182 GLY n 1 183 SER n 1 184 PHE n 1 185 PHE n 1 186 LEU n 1 187 TYR n 1 188 SER n 1 189 LYS n 1 190 LEU n 1 191 THR n 1 192 VAL n 1 193 ASP n 1 194 LYS n 1 195 SER n 1 196 ARG n 1 197 TRP n 1 198 GLN n 1 199 GLN n 1 200 GLY n 1 201 ASN n 1 202 VAL n 1 203 PHE n 1 204 SER n 1 205 CYS n 1 206 SER n 1 207 VAL n 1 208 MET n 1 209 HIS n 1 210 GLU n 1 211 ALA n 1 212 LEU n 1 213 HIS n 1 214 ASN n 1 215 HIS n 1 216 TYR n 1 217 THR n 1 218 GLN n 1 219 LYS n 1 220 SER n 1 221 LEU n 1 222 SER n 1 223 LEU n 1 224 SER n 1 225 PRO n 1 226 GLY n 1 227 LYS n 2 1 ASP n 2 2 LYS n 2 3 THR n 2 4 HIS n 2 5 THR n 2 6 CYS n 2 7 PRO n 2 8 PRO n 2 9 CYS n 2 10 PRO n 2 11 ALA n 2 12 PRO n 2 13 GLU n 2 14 LEU n 2 15 LEU n 2 16 GLY n 2 17 GLY n 2 18 PRO n 2 19 SER n 2 20 VAL n 2 21 PHE n 2 22 LEU n 2 23 PHE n 2 24 PRO n 2 25 PRO n 2 26 LYS n 2 27 PRO n 2 28 LYS n 2 29 ASP n 2 30 THR n 2 31 LEU n 2 32 MET n 2 33 ILE n 2 34 SER n 2 35 ARG n 2 36 THR n 2 37 PRO n 2 38 GLU n 2 39 VAL n 2 40 THR n 2 41 CYS n 2 42 VAL n 2 43 VAL n 2 44 VAL n 2 45 ASP n 2 46 VAL n 2 47 SER n 2 48 HIS n 2 49 GLU n 2 50 ASP n 2 51 PRO n 2 52 GLU n 2 53 VAL n 2 54 LYS n 2 55 PHE n 2 56 ASN n 2 57 TRP n 2 58 TYR n 2 59 VAL n 2 60 ASP n 2 61 GLY n 2 62 VAL n 2 63 GLU n 2 64 VAL n 2 65 HIS n 2 66 ASN n 2 67 ALA n 2 68 LYS n 2 69 THR n 2 70 LYS n 2 71 PRO n 2 72 ARG n 2 73 GLU n 2 74 GLU n 2 75 GLN n 2 76 TYR n 2 77 ASN n 2 78 SER n 2 79 THR n 2 80 TYR n 2 81 ARG n 2 82 VAL n 2 83 VAL n 2 84 SER n 2 85 VAL n 2 86 LEU n 2 87 THR n 2 88 VAL n 2 89 LEU n 2 90 HIS n 2 91 GLN n 2 92 ASP n 2 93 TRP n 2 94 LEU n 2 95 ASN n 2 96 GLY n 2 97 LYS n 2 98 GLU n 2 99 TYR n 2 100 LYS n 2 101 CYS n 2 102 LYS n 2 103 VAL n 2 104 SER n 2 105 ASN n 2 106 LYS n 2 107 ALA n 2 108 LEU n 2 109 PRO n 2 110 ALA n 2 111 PRO n 2 112 ILE n 2 113 GLU n 2 114 LYS n 2 115 THR n 2 116 ILE n 2 117 SER n 2 118 LYS n 2 119 ALA n 2 120 LYS n 2 121 GLY n 2 122 GLN n 2 123 PRO n 2 124 ARG n 2 125 GLU n 2 126 PRO n 2 127 GLN n 2 128 VAL n 2 129 CYS n 2 130 THR n 2 131 LEU n 2 132 PRO n 2 133 PRO n 2 134 SER n 2 135 ARG n 2 136 ASP n 2 137 GLU n 2 138 LEU n 2 139 THR n 2 140 LYS n 2 141 ASN n 2 142 GLN n 2 143 VAL n 2 144 SER n 2 145 LEU n 2 146 SER n 2 147 CYS n 2 148 ALA n 2 149 VAL n 2 150 LYS n 2 151 GLY n 2 152 PHE n 2 153 TYR n 2 154 PRO n 2 155 SER n 2 156 ASP n 2 157 ILE n 2 158 ALA n 2 159 VAL n 2 160 GLU n 2 161 TRP n 2 162 GLU n 2 163 SER n 2 164 ASN n 2 165 GLY n 2 166 GLN n 2 167 PRO n 2 168 GLU n 2 169 ASN n 2 170 ASN n 2 171 TYR n 2 172 LYS n 2 173 THR n 2 174 THR n 2 175 PRO n 2 176 PRO n 2 177 VAL n 2 178 LEU n 2 179 ASP n 2 180 SER n 2 181 ASP n 2 182 GLY n 2 183 SER n 2 184 PHE n 2 185 PHE n 2 186 LEU n 2 187 VAL n 2 188 SER n 2 189 LYS n 2 190 LEU n 2 191 THR n 2 192 VAL n 2 193 ASP n 2 194 LYS n 2 195 SER n 2 196 ARG n 2 197 TRP n 2 198 GLN n 2 199 GLN n 2 200 GLY n 2 201 ASN n 2 202 VAL n 2 203 PHE n 2 204 SER n 2 205 CYS n 2 206 SER n 2 207 VAL n 2 208 MET n 2 209 HIS n 2 210 GLU n 2 211 ALA n 2 212 LEU n 2 213 HIS n 2 214 ASN n 2 215 HIS n 2 216 TYR n 2 217 THR n 2 218 GLN n 2 219 LYS n 2 220 SER n 2 221 LEU n 2 222 SER n 2 223 LEU n 2 224 SER n 2 225 PRO n 2 226 GLY n 2 227 LYS n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample 'Biological sequence' 1 227 Human ? IGHG1 ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? Human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? HEK293-EBNA ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample 'Biological sequence' 1 227 Human ? IGHG1 ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? Human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? HEK293-EBNA ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 UNP IGHG1_HUMAN P01857 ? 1 ;DKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTY RVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVE WESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK ; 104 2 UNP IGHG1_HUMAN P01857 ? 2 ;DKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTY RVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVE WESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK ; 104 # 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 5HY9 A 1 ? 227 ? P01857 104 ? 330 ? 221 447 2 2 5HY9 B 1 ? 227 ? P01857 104 ? 330 ? 221 447 # 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 5HY9 CYS A 134 ? UNP P01857 SER 237 'engineered mutation' 354 1 1 5HY9 TRP A 146 ? UNP P01857 THR 249 'engineered mutation' 366 2 2 5HY9 CYS B 129 ? UNP P01857 TYR 232 'engineered mutation' 349 3 2 5HY9 SER B 146 ? UNP P01857 THR 249 'engineered mutation' 366 4 2 5HY9 ALA B 148 ? UNP P01857 LEU 251 'engineered mutation' 368 5 2 5HY9 VAL B 187 ? UNP P01857 TYR 290 'engineered mutation' 407 6 # 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 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 GAL D-saccharide . BETA-D-GALACTOSE ? 'C6 H12 O6' 180.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 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.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5HY9 _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 3.63 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 66.12 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 4.5 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '2.5 M sodium chloride, 0.1 M acetate' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS3 6M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2013-02-08 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.0000 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'SLS BEAMLINE X10SA' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.0000 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline X10SA _diffrn_source.pdbx_synchrotron_site SLS # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5HY9 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.70 _reflns.d_resolution_low 49.69 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 21747 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 99.7 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 18.4 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.091 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 22.2 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.70 _reflns_shell.d_res_low 2.85 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 1.5 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 98.4 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs ? _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 12.6 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] -1.88 _refine.aniso_B[1][2] -1.88 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][2] -1.88 _refine.aniso_B[2][3] 0.00 _refine.aniso_B[3][3] 6.09 _refine.B_iso_max ? _refine.B_iso_mean 92.026 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.949 _refine.correlation_coeff_Fo_to_Fc_free 0.911 _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5HY9 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 2.70 _refine.ls_d_res_low 45.59 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 20574 _refine.ls_number_reflns_R_free 1109 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.61 _refine.ls_percent_reflns_R_free 5.1 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.21531 _refine.ls_R_factor_R_free 0.27181 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.21244 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 1L6X _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R 0.421 _refine.pdbx_overall_ESU_R_Free 0.307 _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B 23.512 _refine.overall_SU_ML 0.228 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id 1 _refine_hist.pdbx_number_atoms_protein 3321 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 110 _refine_hist.number_atoms_solvent 39 _refine_hist.number_atoms_total 3470 _refine_hist.d_res_high 2.70 _refine_hist.d_res_low 45.59 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.015 0.019 3540 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 2.131 2.018 4849 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 7.440 5.000 404 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 37.194 25.068 146 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 22.421 15.000 566 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? 17.549 15.000 11 ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.131 0.200 577 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.009 0.022 2568 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_gen_planes_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_mcangle_it ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_mcangle_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scbond_it ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_long_range_B_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_long_range_B_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_rigid_bond_restr ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_free ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_bonded ? ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 2.702 _refine_ls_shell.d_res_low 2.772 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 78 _refine_ls_shell.number_reflns_R_work 1442 _refine_ls_shell.percent_reflns_obs 96.32 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.619 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.535 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # _struct.entry_id 5HY9 _struct.title 'Glycosylated, disulfide-linked Knob-into-Hole Fc fragment' _struct.pdbx_descriptor 'IG GAMMA-1 CHAIN C REGION' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5HY9 _struct_keywords.text 'Bispecific antibody Fc engineering Knob-into-Hole, Immune System' _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' # 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 2 ? C N N 3 ? D N N 3 ? E N N 4 ? F N N 4 ? G N N 3 ? H N N 4 ? I N N 5 ? J N N 6 ? K N N 3 ? L N N 3 ? M N N 3 ? N N N 4 ? O N N 4 ? P N N 6 ? Q N N 3 ? R N N 7 ? S N N 7 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 LYS A 26 ? LEU A 31 ? LYS A 246 LEU A 251 1 ? 6 HELX_P HELX_P2 AA2 LEU A 89 ? ASN A 95 ? LEU A 309 ASN A 315 1 ? 7 HELX_P HELX_P3 AA3 LYS A 194 ? GLN A 199 ? LYS A 414 GLN A 419 1 ? 6 HELX_P HELX_P4 AA4 LEU A 212 ? ASN A 214 ? LEU A 432 ASN A 434 5 ? 3 HELX_P HELX_P5 AA5 PRO B 27 ? MET B 32 ? PRO B 247 MET B 252 1 ? 6 HELX_P HELX_P6 AA6 LEU B 89 ? ASN B 95 ? LEU B 309 ASN B 315 1 ? 7 HELX_P HELX_P7 AA7 ASP B 136 ? LYS B 140 ? ASP B 356 LYS B 360 5 ? 5 HELX_P HELX_P8 AA8 LYS B 194 ? GLN B 199 ? LYS B 414 GLN B 419 1 ? 6 HELX_P HELX_P9 AA9 LEU B 212 ? TYR B 216 ? LEU B 432 TYR B 436 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 disulf1 disulf ? ? A CYS 41 SG ? ? ? 1_555 A CYS 101 SG ? ? A CYS 261 A CYS 321 1_555 ? ? ? ? ? ? ? 2.018 ? disulf2 disulf ? ? A CYS 134 SG ? ? ? 1_555 B CYS 129 SG ? ? A CYS 354 B CYS 349 1_555 ? ? ? ? ? ? ? 2.036 ? disulf3 disulf ? ? A CYS 147 SG ? ? ? 1_555 A CYS 205 SG ? ? A CYS 367 A CYS 425 1_555 ? ? ? ? ? ? ? 2.039 ? disulf4 disulf ? ? B CYS 41 SG ? ? ? 1_555 B CYS 101 SG ? ? B CYS 261 B CYS 321 1_555 ? ? ? ? ? ? ? 2.046 ? disulf5 disulf ? ? B CYS 147 SG ? ? ? 1_555 B CYS 205 SG ? ? B CYS 367 B CYS 425 1_555 ? ? ? ? ? ? ? 2.021 ? covale1 covale one ? A ASN 77 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 297 A NAG 501 1_555 ? ? ? ? ? ? ? 1.460 ? covale2 covale one ? B ASN 77 ND2 ? ? ? 1_555 L NAG . C1 ? ? B ASN 297 B NAG 501 1_555 ? ? ? ? ? ? ? 1.449 ? covale3 covale both ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 501 A NAG 502 1_555 ? ? ? ? ? ? ? 1.436 ? covale4 covale one ? C NAG . O6 ? ? ? 1_555 J FUC . C1 ? ? A NAG 501 A FUC 508 1_555 ? ? ? ? ? ? ? 1.445 ? covale5 covale both ? D NAG . O4 ? ? ? 1_555 E BMA . C1 ? ? A NAG 502 A BMA 503 1_555 ? ? ? ? ? ? ? 1.440 ? covale6 covale one ? E BMA . O3 ? ? ? 1_555 H BMA . C1 ? ? A BMA 503 A BMA 506 1_555 ? ? ? ? ? ? ? 1.401 ? covale7 covale one ? E BMA . O6 ? ? ? 1_555 F BMA . C1 ? ? A BMA 503 A BMA 504 1_555 ? ? ? ? ? ? ? 1.405 ? covale8 covale one ? F BMA . O2 ? ? ? 1_555 G NAG . C1 ? ? A BMA 504 A NAG 505 1_555 ? ? ? ? ? ? ? 1.443 ? covale9 covale both ? G NAG . O4 ? ? ? 1_555 I GAL . C1 ? ? A NAG 505 A GAL 507 1_555 ? ? ? ? ? ? ? 1.452 ? covale10 covale one ? H BMA . O2 ? ? ? 1_555 K NAG . C1 ? ? A BMA 506 A NAG 509 1_555 ? ? ? ? ? ? ? 1.444 ? covale11 covale both ? L NAG . O4 ? ? ? 1_555 M NAG . C1 ? ? B NAG 501 B NAG 502 1_555 ? ? ? ? ? ? ? 1.451 ? covale12 covale one ? L NAG . O6 ? ? ? 1_555 P FUC . C1 ? ? B NAG 501 B FUC 505 1_555 ? ? ? ? ? ? ? 1.455 ? covale13 covale both ? M NAG . O4 ? ? ? 1_555 N BMA . C1 ? ? B NAG 502 B BMA 503 1_555 ? ? ? ? ? ? ? 1.453 ? covale14 covale one ? N BMA . O3 ? ? ? 1_555 O BMA . C1 ? ? B BMA 503 B BMA 504 1_555 ? ? ? ? ? ? ? 1.482 ? covale15 covale one ? O BMA . O2 ? ? ? 1_555 Q NAG . C1 ? ? B BMA 504 B NAG 506 1_555 ? ? ? ? ? ? ? 1.475 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 TYR 153 A . ? TYR 373 A PRO 154 A ? PRO 374 A 1 10.37 2 TYR 153 B . ? TYR 373 B PRO 154 B ? PRO 374 B 1 -8.76 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 4 ? AA2 ? 4 ? AA3 ? 4 ? AA4 ? 4 ? AA5 ? 4 ? AA6 ? 4 ? AA7 ? 2 ? AA8 ? 2 ? AA9 ? 3 ? AB1 ? 4 ? AB2 ? 4 ? AB3 ? 3 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA3 3 4 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA5 1 2 ? anti-parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA6 1 2 ? anti-parallel AA6 2 3 ? anti-parallel AA6 3 4 ? anti-parallel AA7 1 2 ? anti-parallel AA8 1 2 ? anti-parallel AA9 1 2 ? anti-parallel AA9 2 3 ? anti-parallel AB1 1 2 ? anti-parallel AB1 2 3 ? anti-parallel AB1 3 4 ? anti-parallel AB2 1 2 ? anti-parallel AB2 2 3 ? anti-parallel AB2 3 4 ? anti-parallel AB3 1 2 ? anti-parallel AB3 2 3 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 SER A 19 ? PHE A 23 ? SER A 239 PHE A 243 AA1 2 GLU A 38 ? VAL A 46 ? GLU A 258 VAL A 266 AA1 3 TYR A 80 ? THR A 87 ? TYR A 300 THR A 307 AA1 4 LYS A 68 ? THR A 69 ? LYS A 288 THR A 289 AA2 1 SER A 19 ? PHE A 23 ? SER A 239 PHE A 243 AA2 2 GLU A 38 ? VAL A 46 ? GLU A 258 VAL A 266 AA2 3 TYR A 80 ? THR A 87 ? TYR A 300 THR A 307 AA2 4 GLU A 73 ? GLU A 74 ? GLU A 293 GLU A 294 AA3 1 VAL A 62 ? VAL A 64 ? VAL A 282 VAL A 284 AA3 2 LYS A 54 ? VAL A 59 ? LYS A 274 VAL A 279 AA3 3 TYR A 99 ? SER A 104 ? TYR A 319 SER A 324 AA3 4 ILE A 112 ? ILE A 116 ? ILE A 332 ILE A 336 AA4 1 GLN A 127 ? LEU A 131 ? GLN A 347 LEU A 351 AA4 2 GLN A 142 ? PHE A 152 ? GLN A 362 PHE A 372 AA4 3 PHE A 184 ? ASP A 193 ? PHE A 404 ASP A 413 AA4 4 TYR A 171 ? THR A 173 ? TYR A 391 THR A 393 AA5 1 GLN A 127 ? LEU A 131 ? GLN A 347 LEU A 351 AA5 2 GLN A 142 ? PHE A 152 ? GLN A 362 PHE A 372 AA5 3 PHE A 184 ? ASP A 193 ? PHE A 404 ASP A 413 AA5 4 VAL A 177 ? LEU A 178 ? VAL A 397 LEU A 398 AA6 1 GLN A 166 ? PRO A 167 ? GLN A 386 PRO A 387 AA6 2 ALA A 158 ? SER A 163 ? ALA A 378 SER A 383 AA6 3 PHE A 203 ? MET A 208 ? PHE A 423 MET A 428 AA6 4 TYR A 216 ? LEU A 221 ? TYR A 436 LEU A 441 AA7 1 VAL B 20 ? PHE B 23 ? VAL B 240 PHE B 243 AA7 2 THR B 40 ? VAL B 43 ? THR B 260 VAL B 263 AA8 1 LYS B 54 ? PHE B 55 ? LYS B 274 PHE B 275 AA8 2 VAL B 103 ? SER B 104 ? VAL B 323 SER B 324 AA9 1 TYR B 58 ? VAL B 59 ? TYR B 278 VAL B 279 AA9 2 TYR B 99 ? LYS B 100 ? TYR B 319 LYS B 320 AA9 3 THR B 115 ? ILE B 116 ? THR B 335 ILE B 336 AB1 1 GLN B 127 ? LEU B 131 ? GLN B 347 LEU B 351 AB1 2 GLN B 142 ? PHE B 152 ? GLN B 362 PHE B 372 AB1 3 PHE B 184 ? ASP B 193 ? PHE B 404 ASP B 413 AB1 4 TYR B 171 ? THR B 173 ? TYR B 391 THR B 393 AB2 1 GLN B 127 ? LEU B 131 ? GLN B 347 LEU B 351 AB2 2 GLN B 142 ? PHE B 152 ? GLN B 362 PHE B 372 AB2 3 PHE B 184 ? ASP B 193 ? PHE B 404 ASP B 413 AB2 4 VAL B 177 ? LEU B 178 ? VAL B 397 LEU B 398 AB3 1 ALA B 158 ? SER B 163 ? ALA B 378 SER B 383 AB3 2 PHE B 203 ? MET B 208 ? PHE B 423 MET B 428 AB3 3 THR B 217 ? LEU B 221 ? THR B 437 LEU B 441 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N PHE A 21 ? N PHE A 241 O VAL A 42 ? O VAL A 262 AA1 2 3 N CYS A 41 ? N CYS A 261 O SER A 84 ? O SER A 304 AA1 3 4 O VAL A 85 ? O VAL A 305 N LYS A 68 ? N LYS A 288 AA2 1 2 N PHE A 21 ? N PHE A 241 O VAL A 42 ? O VAL A 262 AA2 2 3 N CYS A 41 ? N CYS A 261 O SER A 84 ? O SER A 304 AA2 3 4 O ARG A 81 ? O ARG A 301 N GLU A 73 ? N GLU A 293 AA3 1 2 O VAL A 64 ? O VAL A 284 N TRP A 57 ? N TRP A 277 AA3 2 3 N ASN A 56 ? N ASN A 276 O LYS A 102 ? O LYS A 322 AA3 3 4 N TYR A 99 ? N TYR A 319 O ILE A 116 ? O ILE A 336 AA4 1 2 N TYR A 129 ? N TYR A 349 O LEU A 148 ? O LEU A 368 AA4 2 3 N LEU A 145 ? N LEU A 365 O LEU A 190 ? O LEU A 410 AA4 3 4 O LYS A 189 ? O LYS A 409 N LYS A 172 ? N LYS A 392 AA5 1 2 N TYR A 129 ? N TYR A 349 O LEU A 148 ? O LEU A 368 AA5 2 3 N LEU A 145 ? N LEU A 365 O LEU A 190 ? O LEU A 410 AA5 3 4 O PHE A 185 ? O PHE A 405 N VAL A 177 ? N VAL A 397 AA6 1 2 O GLN A 166 ? O GLN A 386 N SER A 163 ? N SER A 383 AA6 2 3 N GLU A 160 ? N GLU A 380 O SER A 206 ? O SER A 426 AA6 3 4 N CYS A 205 ? N CYS A 425 O LYS A 219 ? O LYS A 439 AA7 1 2 N PHE B 23 ? N PHE B 243 O THR B 40 ? O THR B 260 AA8 1 2 N LYS B 54 ? N LYS B 274 O SER B 104 ? O SER B 324 AA9 1 2 N TYR B 58 ? N TYR B 278 O LYS B 100 ? O LYS B 320 AA9 2 3 N TYR B 99 ? N TYR B 319 O ILE B 116 ? O ILE B 336 AB1 1 2 N CYS B 129 ? N CYS B 349 O ALA B 148 ? O ALA B 368 AB1 2 3 N VAL B 149 ? N VAL B 369 O LEU B 186 ? O LEU B 406 AB1 3 4 O LYS B 189 ? O LYS B 409 N LYS B 172 ? N LYS B 392 AB2 1 2 N CYS B 129 ? N CYS B 349 O ALA B 148 ? O ALA B 368 AB2 2 3 N VAL B 149 ? N VAL B 369 O LEU B 186 ? O LEU B 406 AB2 3 4 O PHE B 185 ? O PHE B 405 N VAL B 177 ? N VAL B 397 AB3 1 2 N GLU B 160 ? N GLU B 380 O SER B 206 ? O SER B 426 AB3 2 3 N CYS B 205 ? N CYS B 425 O LYS B 219 ? O LYS B 439 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A ASN 297 ? 14 'binding site for Poly-Saccharide residues NAG A 501 through NAG A 509 bound to ASN A 297' AC2 Software B ASN 297 ? 5 'binding site for Poly-Saccharide residues NAG B 501 through NAG B 506 bound to ASN B 297' # 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 14 PHE A 21 ? PHE A 241 . ? 1_555 ? 2 AC1 14 PHE A 23 ? PHE A 243 . ? 1_555 ? 3 AC1 14 PRO A 24 ? PRO A 244 . ? 1_555 ? 4 AC1 14 LYS A 26 ? LYS A 246 . ? 1_555 ? 5 AC1 14 GLU A 38 ? GLU A 258 . ? 1_555 ? 6 AC1 14 THR A 40 ? THR A 260 . ? 1_555 ? 7 AC1 14 VAL A 44 ? VAL A 264 . ? 1_555 ? 8 AC1 14 ASP A 45 ? ASP A 265 . ? 1_555 ? 9 AC1 14 GLN A 75 ? GLN A 295 . ? 1_555 ? 10 AC1 14 ASN A 77 ? ASN A 297 . ? 1_555 ? 11 AC1 14 ARG A 81 ? ARG A 301 . ? 1_555 ? 12 AC1 14 HOH R . ? HOH A 605 . ? 1_555 ? 13 AC1 14 HOH R . ? HOH A 609 . ? 1_555 ? 14 AC1 14 NAG M . ? NAG B 502 . ? 1_555 ? 15 AC2 5 BMA H . ? BMA A 506 . ? 1_555 ? 16 AC2 5 PHE B 23 ? PHE B 243 . ? 1_555 ? 17 AC2 5 VAL B 44 ? VAL B 264 . ? 1_555 ? 18 AC2 5 ASP B 45 ? ASP B 265 . ? 1_555 ? 19 AC2 5 ASN B 77 ? ASN B 297 . ? 1_555 ? # _atom_sites.entry_id 5HY9 _atom_sites.fract_transf_matrix[1][1] 0.006587 _atom_sites.fract_transf_matrix[1][2] 0.003803 _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] 0.007606 _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] 0.008782 _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 . GLY A 1 17 ? 19.518 30.300 -9.334 1.00 61.55 ? 237 GLY A N 1 ATOM 2 C CA . GLY A 1 17 ? 19.226 28.855 -9.081 1.00 59.97 ? 237 GLY A CA 1 ATOM 3 C C . GLY A 1 17 ? 20.400 28.136 -8.424 1.00 57.33 ? 237 GLY A C 1 ATOM 4 O O . GLY A 1 17 ? 21.551 28.621 -8.461 1.00 59.73 ? 237 GLY A O 1 ATOM 5 N N . PRO A 1 18 ? 20.155 26.948 -7.859 1.00 53.98 ? 238 PRO A N 1 ATOM 6 C CA . PRO A 1 18 ? 21.305 26.242 -7.227 1.00 53.88 ? 238 PRO A CA 1 ATOM 7 C C . PRO A 1 18 ? 22.411 25.877 -8.222 1.00 53.21 ? 238 PRO A C 1 ATOM 8 O O . PRO A 1 18 ? 22.127 25.740 -9.346 1.00 56.08 ? 238 PRO A O 1 ATOM 9 C CB . PRO A 1 18 ? 20.700 24.984 -6.626 1.00 47.41 ? 238 PRO A CB 1 ATOM 10 C CG . PRO A 1 18 ? 19.308 24.899 -7.111 1.00 50.43 ? 238 PRO A CG 1 ATOM 11 C CD . PRO A 1 18 ? 18.903 26.191 -7.786 1.00 52.93 ? 238 PRO A CD 1 ATOM 12 N N . SER A 1 19 ? 23.655 25.777 -7.772 1.00 54.43 ? 239 SER A N 1 ATOM 13 C CA . SER A 1 19 ? 24.775 25.193 -8.505 1.00 52.82 ? 239 SER A CA 1 ATOM 14 C C . SER A 1 19 ? 25.230 23.989 -7.710 1.00 54.64 ? 239 SER A C 1 ATOM 15 O O . SER A 1 19 ? 24.946 23.908 -6.504 1.00 61.15 ? 239 SER A O 1 ATOM 16 C CB . SER A 1 19 ? 25.962 26.136 -8.531 1.00 52.46 ? 239 SER A CB 1 ATOM 17 O OG . SER A 1 19 ? 25.558 27.479 -8.769 1.00 58.34 ? 239 SER A OG 1 ATOM 18 N N . VAL A 1 20 ? 25.973 23.100 -8.362 1.00 52.59 ? 240 VAL A N 1 ATOM 19 C CA . VAL A 1 20 ? 26.463 21.862 -7.799 1.00 54.41 ? 240 VAL A CA 1 ATOM 20 C C . VAL A 1 20 ? 27.932 21.762 -8.135 1.00 55.92 ? 240 VAL A C 1 ATOM 21 O O . VAL A 1 20 ? 28.301 22.105 -9.232 1.00 68.08 ? 240 VAL A O 1 ATOM 22 C CB . VAL A 1 20 ? 25.805 20.706 -8.498 1.00 57.15 ? 240 VAL A CB 1 ATOM 23 C CG1 . VAL A 1 20 ? 26.417 19.392 -8.053 1.00 54.75 ? 240 VAL A CG1 1 ATOM 24 C CG2 . VAL A 1 20 ? 24.308 20.760 -8.241 1.00 56.34 ? 240 VAL A CG2 1 ATOM 25 N N . PHE A 1 21 ? 28.767 21.338 -7.195 1.00 52.63 ? 241 PHE A N 1 ATOM 26 C CA . PHE A 1 21 ? 30.183 21.132 -7.460 1.00 50.59 ? 241 PHE A CA 1 ATOM 27 C C . PHE A 1 21 ? 30.505 19.795 -6.831 1.00 50.43 ? 241 PHE A C 1 ATOM 28 O O . PHE A 1 21 ? 29.862 19.402 -5.846 1.00 52.77 ? 241 PHE A O 1 ATOM 29 C CB . PHE A 1 21 ? 31.038 22.240 -6.847 1.00 50.57 ? 241 PHE A CB 1 ATOM 30 C CG . PHE A 1 21 ? 30.696 23.603 -7.346 1.00 52.17 ? 241 PHE A CG 1 ATOM 31 C CD1 . PHE A 1 21 ? 31.404 24.173 -8.382 1.00 54.94 ? 241 PHE A CD1 1 ATOM 32 C CD2 . PHE A 1 21 ? 29.650 24.313 -6.796 1.00 54.77 ? 241 PHE A CD2 1 ATOM 33 C CE1 . PHE A 1 21 ? 31.070 25.416 -8.889 1.00 56.53 ? 241 PHE A CE1 1 ATOM 34 C CE2 . PHE A 1 21 ? 29.315 25.583 -7.263 1.00 57.53 ? 241 PHE A CE2 1 ATOM 35 C CZ . PHE A 1 21 ? 30.026 26.136 -8.320 1.00 58.27 ? 241 PHE A CZ 1 ATOM 36 N N . LEU A 1 22 ? 31.461 19.076 -7.403 1.00 48.86 ? 242 LEU A N 1 ATOM 37 C CA . LEU A 1 22 ? 31.650 17.664 -7.104 1.00 47.91 ? 242 LEU A CA 1 ATOM 38 C C . LEU A 1 22 ? 33.115 17.413 -6.939 1.00 51.67 ? 242 LEU A C 1 ATOM 39 O O . LEU A 1 22 ? 33.871 17.604 -7.877 1.00 57.42 ? 242 LEU A O 1 ATOM 40 C CB . LEU A 1 22 ? 31.089 16.821 -8.233 1.00 44.26 ? 242 LEU A CB 1 ATOM 41 C CG . LEU A 1 22 ? 31.176 15.299 -8.196 1.00 48.75 ? 242 LEU A CG 1 ATOM 42 C CD1 . LEU A 1 22 ? 30.482 14.757 -6.962 1.00 43.80 ? 242 LEU A CD1 1 ATOM 43 C CD2 . LEU A 1 22 ? 30.600 14.591 -9.447 1.00 48.10 ? 242 LEU A CD2 1 ATOM 44 N N . PHE A 1 23 ? 33.550 17.003 -5.753 1.00 52.53 ? 243 PHE A N 1 ATOM 45 C CA . PHE A 1 23 ? 34.989 16.918 -5.532 1.00 51.27 ? 243 PHE A CA 1 ATOM 46 C C . PHE A 1 23 ? 35.544 15.497 -5.474 1.00 48.55 ? 243 PHE A C 1 ATOM 47 O O . PHE A 1 23 ? 34.916 14.592 -4.950 1.00 51.73 ? 243 PHE A O 1 ATOM 48 C CB . PHE A 1 23 ? 35.315 17.702 -4.275 1.00 50.24 ? 243 PHE A CB 1 ATOM 49 C CG . PHE A 1 23 ? 34.878 19.140 -4.337 1.00 50.81 ? 243 PHE A CG 1 ATOM 50 C CD1 . PHE A 1 23 ? 35.760 20.123 -4.731 1.00 50.08 ? 243 PHE A CD1 1 ATOM 51 C CD2 . PHE A 1 23 ? 33.578 19.517 -4.000 1.00 54.42 ? 243 PHE A CD2 1 ATOM 52 C CE1 . PHE A 1 23 ? 35.378 21.454 -4.787 1.00 49.43 ? 243 PHE A CE1 1 ATOM 53 C CE2 . PHE A 1 23 ? 33.180 20.860 -4.029 1.00 52.40 ? 243 PHE A CE2 1 ATOM 54 C CZ . PHE A 1 23 ? 34.097 21.833 -4.452 1.00 50.00 ? 243 PHE A CZ 1 ATOM 55 N N . PRO A 1 24 ? 36.748 15.290 -5.969 1.00 46.39 ? 244 PRO A N 1 ATOM 56 C CA . PRO A 1 24 ? 37.238 13.921 -5.805 1.00 45.42 ? 244 PRO A CA 1 ATOM 57 C C . PRO A 1 24 ? 37.840 13.695 -4.394 1.00 49.60 ? 244 PRO A C 1 ATOM 58 O O . PRO A 1 24 ? 37.966 14.642 -3.627 1.00 49.20 ? 244 PRO A O 1 ATOM 59 C CB . PRO A 1 24 ? 38.424 13.907 -6.748 1.00 45.42 ? 244 PRO A CB 1 ATOM 60 C CG . PRO A 1 24 ? 38.993 15.305 -6.581 1.00 41.84 ? 244 PRO A CG 1 ATOM 61 C CD . PRO A 1 24 ? 37.794 16.205 -6.453 1.00 43.30 ? 244 PRO A CD 1 ATOM 62 N N . PRO A 1 25 ? 38.270 12.453 -4.101 1.00 50.56 ? 245 PRO A N 1 ATOM 63 C CA . PRO A 1 25 ? 38.995 12.036 -2.952 1.00 50.34 ? 245 PRO A CA 1 ATOM 64 C C . PRO A 1 25 ? 40.331 12.715 -2.849 1.00 53.36 ? 245 PRO A C 1 ATOM 65 O O . PRO A 1 25 ? 40.869 13.104 -3.833 1.00 59.07 ? 245 PRO A O 1 ATOM 66 C CB . PRO A 1 25 ? 39.240 10.556 -3.219 1.00 51.57 ? 245 PRO A CB 1 ATOM 67 C CG . PRO A 1 25 ? 38.945 10.339 -4.670 1.00 56.09 ? 245 PRO A CG 1 ATOM 68 C CD . PRO A 1 25 ? 37.857 11.296 -4.916 1.00 55.36 ? 245 PRO A CD 1 ATOM 69 N N . LYS A 1 26 ? 40.845 12.888 -1.650 1.00 55.48 ? 246 LYS A N 1 ATOM 70 C CA . LYS A 1 26 ? 42.206 13.291 -1.471 1.00 59.53 ? 246 LYS A CA 1 ATOM 71 C C . LYS A 1 26 ? 43.163 12.224 -1.911 1.00 60.18 ? 246 LYS A C 1 ATOM 72 O O . LYS A 1 26 ? 42.948 11.036 -1.639 1.00 60.82 ? 246 LYS A O 1 ATOM 73 C CB . LYS A 1 26 ? 42.462 13.516 -0.004 1.00 62.27 ? 246 LYS A CB 1 ATOM 74 C CG . LYS A 1 26 ? 42.531 14.949 0.359 1.00 70.95 ? 246 LYS A CG 1 ATOM 75 C CD . LYS A 1 26 ? 41.274 15.377 1.056 1.00 72.96 ? 246 LYS A CD 1 ATOM 76 C CE . LYS A 1 26 ? 41.161 16.899 1.007 1.00 78.52 ? 246 LYS A CE 1 ATOM 77 N NZ . LYS A 1 26 ? 39.982 17.300 0.181 1.00 80.72 ? 246 LYS A NZ 1 ATOM 78 N N . PRO A 1 27 ? 44.249 12.638 -2.565 1.00 63.28 ? 247 PRO A N 1 ATOM 79 C CA . PRO A 1 27 ? 45.314 11.732 -3.053 1.00 63.30 ? 247 PRO A CA 1 ATOM 80 C C . PRO A 1 27 ? 45.792 10.753 -1.995 1.00 64.27 ? 247 PRO A C 1 ATOM 81 O O . PRO A 1 27 ? 45.968 9.590 -2.310 1.00 68.65 ? 247 PRO A O 1 ATOM 82 C CB . PRO A 1 27 ? 46.479 12.696 -3.411 1.00 59.98 ? 247 PRO A CB 1 ATOM 83 C CG . PRO A 1 27 ? 45.815 13.994 -3.689 1.00 57.85 ? 247 PRO A CG 1 ATOM 84 C CD . PRO A 1 27 ? 44.446 14.027 -3.023 1.00 61.68 ? 247 PRO A CD 1 ATOM 85 N N . LYS A 1 28 ? 46.030 11.229 -0.764 1.00 68.65 ? 248 LYS A N 1 ATOM 86 C CA . LYS A 1 28 ? 46.590 10.406 0.347 1.00 68.09 ? 248 LYS A CA 1 ATOM 87 C C . LYS A 1 28 ? 45.625 9.315 0.694 1.00 64.43 ? 248 LYS A C 1 ATOM 88 O O . LYS A 1 28 ? 46.032 8.157 0.861 1.00 65.07 ? 248 LYS A O 1 ATOM 89 C CB . LYS A 1 28 ? 46.843 11.252 1.598 1.00 79.21 ? 248 LYS A CB 1 ATOM 90 C CG . LYS A 1 28 ? 48.257 11.816 1.718 1.00 90.34 ? 248 LYS A CG 1 ATOM 91 C CD . LYS A 1 28 ? 48.369 13.056 2.616 1.00 103.68 ? 248 LYS A CD 1 ATOM 92 C CE . LYS A 1 28 ? 48.158 12.735 4.100 1.00 112.28 ? 248 LYS A CE 1 ATOM 93 N NZ . LYS A 1 28 ? 49.060 11.653 4.628 1.00 113.93 ? 248 LYS A NZ 1 ATOM 94 N N . ASP A 1 29 ? 44.343 9.689 0.749 1.00 59.91 ? 249 ASP A N 1 ATOM 95 C CA . ASP A 1 29 ? 43.249 8.756 0.940 1.00 59.40 ? 249 ASP A CA 1 ATOM 96 C C . ASP A 1 29 ? 43.087 7.757 -0.180 1.00 60.63 ? 249 ASP A C 1 ATOM 97 O O . ASP A 1 29 ? 42.664 6.629 0.049 1.00 65.85 ? 249 ASP A O 1 ATOM 98 C CB . ASP A 1 29 ? 41.920 9.467 1.061 1.00 59.85 ? 249 ASP A CB 1 ATOM 99 C CG . ASP A 1 29 ? 41.872 10.458 2.185 1.00 60.29 ? 249 ASP A CG 1 ATOM 100 O OD1 . ASP A 1 29 ? 42.633 10.332 3.177 1.00 60.47 ? 249 ASP A OD1 1 ATOM 101 O OD2 . ASP A 1 29 ? 41.027 11.373 2.055 1.00 66.29 -1 249 ASP A OD2 1 ATOM 102 N N . THR A 1 30 ? 43.408 8.107 -1.406 1.00 61.25 ? 250 THR A N 1 ATOM 103 C CA . THR A 1 30 ? 43.181 7.077 -2.435 1.00 58.84 ? 250 THR A CA 1 ATOM 104 C C . THR A 1 30 ? 44.266 6.076 -2.336 1.00 57.63 ? 250 THR A C 1 ATOM 105 O O . THR A 1 30 ? 44.064 4.926 -2.687 1.00 66.38 ? 250 THR A O 1 ATOM 106 C CB . THR A 1 30 ? 43.117 7.611 -3.869 1.00 56.43 ? 250 THR A CB 1 ATOM 107 O OG1 . THR A 1 30 ? 44.260 8.422 -4.100 1.00 62.57 ? 250 THR A OG1 1 ATOM 108 C CG2 . THR A 1 30 ? 41.886 8.487 -4.075 1.00 54.16 ? 250 THR A CG2 1 ATOM 109 N N . LEU A 1 31 ? 45.403 6.489 -1.809 1.00 57.51 ? 251 LEU A N 1 ATOM 110 C CA . LEU A 1 31 ? 46.643 5.715 -1.991 1.00 60.08 ? 251 LEU A CA 1 ATOM 111 C C . LEU A 1 31 ? 47.010 4.803 -0.858 1.00 61.47 ? 251 LEU A C 1 ATOM 112 O O . LEU A 1 31 ? 48.008 4.095 -0.947 1.00 61.87 ? 251 LEU A O 1 ATOM 113 C CB . LEU A 1 31 ? 47.812 6.655 -2.266 1.00 58.82 ? 251 LEU A CB 1 ATOM 114 C CG . LEU A 1 31 ? 47.894 7.070 -3.735 1.00 59.76 ? 251 LEU A CG 1 ATOM 115 C CD1 . LEU A 1 31 ? 48.855 8.218 -3.924 1.00 59.14 ? 251 LEU A CD1 1 ATOM 116 C CD2 . LEU A 1 31 ? 48.338 5.888 -4.603 1.00 60.82 ? 251 LEU A CD2 1 ATOM 117 N N . MET A 1 32 ? 46.184 4.820 0.194 1.00 65.73 ? 252 MET A N 1 ATOM 118 C CA . MET A 1 32 ? 46.523 4.276 1.535 1.00 64.49 ? 252 MET A CA 1 ATOM 119 C C . MET A 1 32 ? 45.466 3.335 2.154 1.00 60.95 ? 252 MET A C 1 ATOM 120 O O . MET A 1 32 ? 44.408 3.799 2.533 1.00 62.74 ? 252 MET A O 1 ATOM 121 C CB . MET A 1 32 ? 46.756 5.445 2.488 1.00 64.23 ? 252 MET A CB 1 ATOM 122 C CG . MET A 1 32 ? 48.053 6.191 2.234 1.00 75.44 ? 252 MET A CG 1 ATOM 123 S SD . MET A 1 32 ? 48.814 6.892 3.731 1.00 87.94 ? 252 MET A SD 1 ATOM 124 C CE . MET A 1 32 ? 47.961 8.455 3.920 1.00 77.65 ? 252 MET A CE 1 ATOM 125 N N . ILE A 1 33 ? 45.740 2.042 2.312 1.00 59.09 ? 253 ILE A N 1 ATOM 126 C CA . ILE A 1 33 ? 44.665 1.133 2.763 1.00 58.69 ? 253 ILE A CA 1 ATOM 127 C C . ILE A 1 33 ? 43.934 1.547 4.043 1.00 60.81 ? 253 ILE A C 1 ATOM 128 O O . ILE A 1 33 ? 42.783 1.232 4.219 1.00 71.25 ? 253 ILE A O 1 ATOM 129 C CB . ILE A 1 33 ? 45.160 -0.289 2.956 1.00 56.39 ? 253 ILE A CB 1 ATOM 130 C CG1 . ILE A 1 33 ? 46.455 -0.194 3.697 1.00 61.40 ? 253 ILE A CG1 1 ATOM 131 C CG2 . ILE A 1 33 ? 45.331 -0.982 1.619 1.00 55.18 ? 253 ILE A CG2 1 ATOM 132 C CD1 . ILE A 1 33 ? 46.942 -1.532 4.222 1.00 72.50 ? 253 ILE A CD1 1 ATOM 133 N N . SER A 1 34 ? 44.593 2.238 4.948 1.00 60.35 ? 254 SER A N 1 ATOM 134 C CA . SER A 1 34 ? 43.943 2.691 6.149 1.00 57.36 ? 254 SER A CA 1 ATOM 135 C C . SER A 1 34 ? 43.094 3.948 6.015 1.00 55.58 ? 254 SER A C 1 ATOM 136 O O . SER A 1 34 ? 42.609 4.392 7.019 1.00 58.35 ? 254 SER A O 1 ATOM 137 C CB . SER A 1 34 ? 45.004 2.991 7.152 1.00 58.99 ? 254 SER A CB 1 ATOM 138 O OG . SER A 1 34 ? 46.030 3.670 6.452 1.00 69.98 ? 254 SER A OG 1 ATOM 139 N N . ARG A 1 35 ? 42.911 4.548 4.835 1.00 53.18 ? 255 ARG A N 1 ATOM 140 C CA . ARG A 1 35 ? 42.100 5.775 4.745 1.00 49.61 ? 255 ARG A CA 1 ATOM 141 C C . ARG A 1 35 ? 40.796 5.661 3.958 1.00 47.54 ? 255 ARG A C 1 ATOM 142 O O . ARG A 1 35 ? 40.428 4.601 3.466 1.00 47.97 ? 255 ARG A O 1 ATOM 143 C CB . ARG A 1 35 ? 42.911 7.000 4.349 1.00 57.26 ? 255 ARG A CB 1 ATOM 144 C CG . ARG A 1 35 ? 44.368 6.843 4.741 1.00 65.02 ? 255 ARG A CG 1 ATOM 145 C CD . ARG A 1 35 ? 44.974 8.012 5.429 1.00 65.41 ? 255 ARG A CD 1 ATOM 146 N NE . ARG A 1 35 ? 44.480 9.286 4.960 1.00 72.71 ? 255 ARG A NE 1 ATOM 147 C CZ . ARG A 1 35 ? 45.039 10.458 5.291 1.00 80.76 ? 255 ARG A CZ 1 ATOM 148 N NH1 . ARG A 1 35 ? 46.147 10.509 6.082 1.00 75.11 ? 255 ARG A NH1 1 ATOM 149 N NH2 . ARG A 1 35 ? 44.481 11.578 4.826 1.00 73.32 ? 255 ARG A NH2 1 ATOM 150 N N . THR A 1 36 ? 40.037 6.739 3.922 1.00 45.97 ? 256 THR A N 1 ATOM 151 C CA . THR A 1 36 ? 38.673 6.654 3.562 1.00 46.00 ? 256 THR A CA 1 ATOM 152 C C . THR A 1 36 ? 38.455 7.645 2.412 1.00 47.79 ? 256 THR A C 1 ATOM 153 O O . THR A 1 36 ? 38.250 8.836 2.650 1.00 48.08 ? 256 THR A O 1 ATOM 154 C CB . THR A 1 36 ? 37.794 6.921 4.803 1.00 44.37 ? 256 THR A CB 1 ATOM 155 O OG1 . THR A 1 36 ? 37.888 5.786 5.629 1.00 56.40 ? 256 THR A OG1 1 ATOM 156 C CG2 . THR A 1 36 ? 36.310 6.961 4.474 1.00 44.49 ? 256 THR A CG2 1 ATOM 157 N N . PRO A 1 37 ? 38.488 7.151 1.173 1.00 46.52 ? 257 PRO A N 1 ATOM 158 C CA . PRO A 1 37 ? 38.376 8.107 0.102 1.00 45.45 ? 257 PRO A CA 1 ATOM 159 C C . PRO A 1 37 ? 36.941 8.310 -0.191 1.00 46.30 ? 257 PRO A C 1 ATOM 160 O O . PRO A 1 37 ? 36.185 7.297 -0.287 1.00 45.57 ? 257 PRO A O 1 ATOM 161 C CB . PRO A 1 37 ? 39.055 7.404 -1.052 1.00 46.09 ? 257 PRO A CB 1 ATOM 162 C CG . PRO A 1 37 ? 38.909 5.947 -0.733 1.00 46.57 ? 257 PRO A CG 1 ATOM 163 C CD . PRO A 1 37 ? 38.968 5.831 0.726 1.00 46.47 ? 257 PRO A CD 1 ATOM 164 N N . GLU A 1 38 ? 36.572 9.594 -0.337 1.00 47.22 ? 258 GLU A N 1 ATOM 165 C CA . GLU A 1 38 ? 35.187 10.031 -0.576 1.00 47.88 ? 258 GLU A CA 1 ATOM 166 C C . GLU A 1 38 ? 35.012 11.033 -1.712 1.00 50.87 ? 258 GLU A C 1 ATOM 167 O O . GLU A 1 38 ? 35.809 11.961 -1.832 1.00 52.82 ? 258 GLU A O 1 ATOM 168 C CB . GLU A 1 38 ? 34.684 10.701 0.641 1.00 56.79 ? 258 GLU A CB 1 ATOM 169 C CG . GLU A 1 38 ? 34.511 9.741 1.813 1.00 69.32 ? 258 GLU A CG 1 ATOM 170 C CD . GLU A 1 38 ? 34.511 10.483 3.111 1.00 70.44 ? 258 GLU A CD 1 ATOM 171 O OE1 . GLU A 1 38 ? 35.123 11.595 3.116 1.00 72.46 ? 258 GLU A OE1 1 ATOM 172 O OE2 . GLU A 1 38 ? 33.893 9.965 4.084 1.00 74.46 -1 258 GLU A OE2 1 ATOM 173 N N . VAL A 1 39 ? 33.993 10.856 -2.564 1.00 48.48 ? 259 VAL A N 1 ATOM 174 C CA . VAL A 1 39 ? 33.639 11.959 -3.453 1.00 50.34 ? 259 VAL A CA 1 ATOM 175 C C . VAL A 1 39 ? 32.553 12.708 -2.736 1.00 48.43 ? 259 VAL A C 1 ATOM 176 O O . VAL A 1 39 ? 31.792 12.088 -1.955 1.00 53.43 ? 259 VAL A O 1 ATOM 177 C CB . VAL A 1 39 ? 33.205 11.511 -4.879 1.00 50.87 ? 259 VAL A CB 1 ATOM 178 C CG1 . VAL A 1 39 ? 34.354 10.798 -5.553 1.00 51.71 ? 259 VAL A CG1 1 ATOM 179 C CG2 . VAL A 1 39 ? 32.024 10.575 -4.798 1.00 53.12 ? 259 VAL A CG2 1 ATOM 180 N N . THR A 1 40 ? 32.478 14.010 -2.981 1.00 45.04 ? 260 THR A N 1 ATOM 181 C CA . THR A 1 40 ? 31.596 14.899 -2.194 1.00 47.24 ? 260 THR A CA 1 ATOM 182 C C . THR A 1 40 ? 30.810 15.746 -3.176 1.00 48.50 ? 260 THR A C 1 ATOM 183 O O . THR A 1 40 ? 31.374 16.429 -4.025 1.00 47.05 ? 260 THR A O 1 ATOM 184 C CB . THR A 1 40 ? 32.439 15.881 -1.367 1.00 46.07 ? 260 THR A CB 1 ATOM 185 O OG1 . THR A 1 40 ? 33.243 15.135 -0.480 1.00 51.89 ? 260 THR A OG1 1 ATOM 186 C CG2 . THR A 1 40 ? 31.633 16.782 -0.568 1.00 44.01 ? 260 THR A CG2 1 ATOM 187 N N . CYS A 1 41 ? 29.506 15.738 -3.024 1.00 49.59 ? 261 CYS A N 1 ATOM 188 C CA . CYS A 1 41 ? 28.671 16.487 -3.901 1.00 50.78 ? 261 CYS A CA 1 ATOM 189 C C . CYS A 1 41 ? 28.125 17.649 -3.108 1.00 44.88 ? 261 CYS A C 1 ATOM 190 O O . CYS A 1 41 ? 27.367 17.440 -2.223 1.00 45.61 ? 261 CYS A O 1 ATOM 191 C CB . CYS A 1 41 ? 27.535 15.581 -4.414 1.00 50.26 ? 261 CYS A CB 1 ATOM 192 S SG . CYS A 1 41 ? 26.610 16.327 -5.801 1.00 49.14 ? 261 CYS A SG 1 ATOM 193 N N . VAL A 1 42 ? 28.541 18.862 -3.420 1.00 44.49 ? 262 VAL A N 1 ATOM 194 C CA . VAL A 1 42 ? 28.051 20.098 -2.755 1.00 43.75 ? 262 VAL A CA 1 ATOM 195 C C . VAL A 1 42 ? 27.135 20.973 -3.619 1.00 48.62 ? 262 VAL A C 1 ATOM 196 O O . VAL A 1 42 ? 27.525 21.408 -4.736 1.00 53.39 ? 262 VAL A O 1 ATOM 197 C CB . VAL A 1 42 ? 29.230 21.007 -2.411 1.00 41.92 ? 262 VAL A CB 1 ATOM 198 C CG1 . VAL A 1 42 ? 28.780 22.252 -1.648 1.00 42.21 ? 262 VAL A CG1 1 ATOM 199 C CG2 . VAL A 1 42 ? 30.306 20.236 -1.691 1.00 40.93 ? 262 VAL A CG2 1 ATOM 200 N N . VAL A 1 43 ? 25.960 21.262 -3.089 1.00 45.94 ? 263 VAL A N 1 ATOM 201 C CA . VAL A 1 43 ? 25.007 22.124 -3.712 1.00 47.80 ? 263 VAL A CA 1 ATOM 202 C C . VAL A 1 43 ? 24.886 23.452 -2.935 1.00 53.88 ? 263 VAL A C 1 ATOM 203 O O . VAL A 1 43 ? 24.793 23.465 -1.686 1.00 53.07 ? 263 VAL A O 1 ATOM 204 C CB . VAL A 1 43 ? 23.629 21.489 -3.613 1.00 47.05 ? 263 VAL A CB 1 ATOM 205 C CG1 . VAL A 1 43 ? 22.646 22.281 -4.439 1.00 46.47 ? 263 VAL A CG1 1 ATOM 206 C CG2 . VAL A 1 43 ? 23.659 20.062 -4.089 1.00 47.26 ? 263 VAL A CG2 1 ATOM 207 N N . VAL A 1 44 ? 24.824 24.567 -3.660 1.00 54.07 ? 264 VAL A N 1 ATOM 208 C CA . VAL A 1 44 ? 24.772 25.887 -3.049 1.00 52.57 ? 264 VAL A CA 1 ATOM 209 C C . VAL A 1 44 ? 23.753 26.807 -3.755 1.00 60.18 ? 264 VAL A C 1 ATOM 210 O O . VAL A 1 44 ? 23.313 26.523 -4.909 1.00 67.29 ? 264 VAL A O 1 ATOM 211 C CB . VAL A 1 44 ? 26.129 26.551 -3.221 1.00 54.23 ? 264 VAL A CB 1 ATOM 212 C CG1 . VAL A 1 44 ? 27.229 25.731 -2.603 1.00 54.64 ? 264 VAL A CG1 1 ATOM 213 C CG2 . VAL A 1 44 ? 26.443 26.719 -4.699 1.00 56.35 ? 264 VAL A CG2 1 ATOM 214 N N . ASP A 1 45 ? 23.438 27.953 -3.145 1.00 55.86 ? 265 ASP A N 1 ATOM 215 C CA . ASP A 1 45 ? 22.455 28.881 -3.735 1.00 57.90 ? 265 ASP A CA 1 ATOM 216 C C . ASP A 1 45 ? 21.064 28.246 -3.721 1.00 55.95 ? 265 ASP A C 1 ATOM 217 O O . ASP A 1 45 ? 20.242 28.415 -4.627 1.00 56.28 ? 265 ASP A O 1 ATOM 218 C CB . ASP A 1 45 ? 22.834 29.295 -5.148 1.00 57.94 ? 265 ASP A CB 1 ATOM 219 C CG . ASP A 1 45 ? 24.060 30.194 -5.193 1.00 65.09 ? 265 ASP A CG 1 ATOM 220 O OD1 . ASP A 1 45 ? 24.362 30.822 -4.164 1.00 65.60 ? 265 ASP A OD1 1 ATOM 221 O OD2 . ASP A 1 45 ? 24.735 30.286 -6.271 1.00 70.27 -1 265 ASP A OD2 1 ATOM 222 N N . VAL A 1 46 ? 20.825 27.489 -2.665 1.00 52.09 ? 266 VAL A N 1 ATOM 223 C CA . VAL A 1 46 ? 19.534 26.895 -2.469 1.00 50.55 ? 266 VAL A CA 1 ATOM 224 C C . VAL A 1 46 ? 18.646 27.899 -1.748 1.00 50.61 ? 266 VAL A C 1 ATOM 225 O O . VAL A 1 46 ? 19.022 28.426 -0.751 1.00 55.64 ? 266 VAL A O 1 ATOM 226 C CB . VAL A 1 46 ? 19.689 25.613 -1.695 1.00 46.09 ? 266 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 46 ? 18.317 25.059 -1.454 1.00 48.82 ? 266 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 46 ? 20.494 24.594 -2.515 1.00 43.57 ? 266 VAL A CG2 1 ATOM 229 N N . SER A 1 47 ? 17.495 28.213 -2.288 1.00 50.17 ? 267 SER A N 1 ATOM 230 C CA . SER A 1 47 ? 16.667 29.251 -1.722 1.00 50.40 ? 267 SER A CA 1 ATOM 231 C C . SER A 1 47 ? 15.770 28.771 -0.547 1.00 52.67 ? 267 SER A C 1 ATOM 232 O O . SER A 1 47 ? 15.585 27.531 -0.304 1.00 51.59 ? 267 SER A O 1 ATOM 233 C CB . SER A 1 47 ? 15.738 29.741 -2.819 1.00 52.06 ? 267 SER A CB 1 ATOM 234 O OG . SER A 1 47 ? 14.724 28.743 -3.025 1.00 54.08 ? 267 SER A OG 1 ATOM 235 N N . HIS A 1 48 ? 15.175 29.759 0.140 1.00 52.80 ? 268 HIS A N 1 ATOM 236 C CA . HIS A 1 48 ? 14.197 29.548 1.206 1.00 52.66 ? 268 HIS A CA 1 ATOM 237 C C . HIS A 1 48 ? 12.931 29.021 0.615 1.00 55.97 ? 268 HIS A C 1 ATOM 238 O O . HIS A 1 48 ? 12.267 28.182 1.193 1.00 55.55 ? 268 HIS A O 1 ATOM 239 C CB . HIS A 1 48 ? 13.810 30.873 1.810 1.00 55.11 ? 268 HIS A CB 1 ATOM 240 C CG . HIS A 1 48 ? 14.929 31.591 2.480 1.00 55.01 ? 268 HIS A CG 1 ATOM 241 N ND1 . HIS A 1 48 ? 15.581 31.079 3.576 1.00 56.90 ? 268 HIS A ND1 1 ATOM 242 C CD2 . HIS A 1 48 ? 15.449 32.816 2.264 1.00 53.90 ? 268 HIS A CD2 1 ATOM 243 C CE1 . HIS A 1 48 ? 16.505 31.935 3.966 1.00 58.09 ? 268 HIS A CE1 1 ATOM 244 N NE2 . HIS A 1 48 ? 16.439 33.001 3.190 1.00 58.15 ? 268 HIS A NE2 1 ATOM 245 N N . GLU A 1 49 ? 12.576 29.520 -0.559 1.00 59.18 ? 269 GLU A N 1 ATOM 246 C CA . GLU A 1 49 ? 11.333 29.085 -1.110 1.00 60.70 ? 269 GLU A CA 1 ATOM 247 C C . GLU A 1 49 ? 11.423 27.625 -1.584 1.00 60.04 ? 269 GLU A C 1 ATOM 248 O O . GLU A 1 49 ? 10.437 26.927 -1.505 1.00 62.02 ? 269 GLU A O 1 ATOM 249 C CB . GLU A 1 49 ? 10.818 30.078 -2.163 1.00 64.62 ? 269 GLU A CB 1 ATOM 250 C CG . GLU A 1 49 ? 10.517 31.490 -1.611 1.00 68.59 ? 269 GLU A CG 1 ATOM 251 C CD . GLU A 1 49 ? 11.762 32.446 -1.521 1.00 77.87 ? 269 GLU A CD 1 ATOM 252 O OE1 . GLU A 1 49 ? 12.983 32.020 -1.617 1.00 62.54 ? 269 GLU A OE1 1 ATOM 253 O OE2 . GLU A 1 49 ? 11.489 33.684 -1.320 1.00 86.99 -1 269 GLU A OE2 1 ATOM 254 N N . ASP A 1 50 ? 12.594 27.143 -2.030 1.00 61.23 ? 270 ASP A N 1 ATOM 255 C CA . ASP A 1 50 ? 12.709 25.765 -2.615 1.00 62.80 ? 270 ASP A CA 1 ATOM 256 C C . ASP A 1 50 ? 13.897 25.027 -2.005 1.00 64.35 ? 270 ASP A C 1 ATOM 257 O O . ASP A 1 50 ? 14.894 24.702 -2.654 1.00 66.33 ? 270 ASP A O 1 ATOM 258 C CB . ASP A 1 50 ? 12.843 25.788 -4.143 1.00 62.78 ? 270 ASP A CB 1 ATOM 259 C CG . ASP A 1 50 ? 11.649 26.464 -4.852 1.00 66.96 ? 270 ASP A CG 1 ATOM 260 O OD1 . ASP A 1 50 ? 10.495 26.080 -4.582 1.00 68.18 ? 270 ASP A OD1 1 ATOM 261 O OD2 . ASP A 1 50 ? 11.875 27.364 -5.696 1.00 70.77 -1 270 ASP A OD2 1 ATOM 262 N N . PRO A 1 51 ? 13.787 24.743 -0.728 1.00 65.22 ? 271 PRO A N 1 ATOM 263 C CA . PRO A 1 51 ? 14.987 24.415 -0.000 1.00 57.70 ? 271 PRO A CA 1 ATOM 264 C C . PRO A 1 51 ? 15.328 22.959 -0.103 1.00 54.94 ? 271 PRO A C 1 ATOM 265 O O . PRO A 1 51 ? 16.412 22.560 0.248 1.00 56.24 ? 271 PRO A O 1 ATOM 266 C CB . PRO A 1 51 ? 14.606 24.727 1.431 1.00 59.17 ? 271 PRO A CB 1 ATOM 267 C CG . PRO A 1 51 ? 13.114 24.692 1.480 1.00 58.46 ? 271 PRO A CG 1 ATOM 268 C CD . PRO A 1 51 ? 12.566 24.770 0.105 1.00 62.52 ? 271 PRO A CD 1 ATOM 269 N N . GLU A 1 52 ? 14.432 22.147 -0.581 1.00 49.74 ? 272 GLU A N 1 ATOM 270 C CA . GLU A 1 52 ? 14.686 20.756 -0.500 1.00 50.20 ? 272 GLU A CA 1 ATOM 271 C C . GLU A 1 52 ? 15.544 20.249 -1.667 1.00 53.65 ? 272 GLU A C 1 ATOM 272 O O . GLU A 1 52 ? 15.223 20.445 -2.867 1.00 64.90 ? 272 GLU A O 1 ATOM 273 C CB . GLU A 1 52 ? 13.330 20.114 -0.438 1.00 56.87 ? 272 GLU A CB 1 ATOM 274 C CG . GLU A 1 52 ? 13.280 18.634 -0.312 1.00 70.88 ? 272 GLU A CG 1 ATOM 275 C CD . GLU A 1 52 ? 11.904 18.210 0.143 1.00 78.31 ? 272 GLU A CD 1 ATOM 276 O OE1 . GLU A 1 52 ? 11.170 17.609 -0.660 1.00 89.63 ? 272 GLU A OE1 1 ATOM 277 O OE2 . GLU A 1 52 ? 11.549 18.503 1.297 1.00 87.96 -1 272 GLU A OE2 1 ATOM 278 N N . VAL A 1 53 ? 16.640 19.597 -1.323 1.00 47.96 ? 273 VAL A N 1 ATOM 279 C CA . VAL A 1 53 ? 17.537 19.017 -2.280 1.00 47.76 ? 273 VAL A CA 1 ATOM 280 C C . VAL A 1 53 ? 17.463 17.507 -2.275 1.00 50.06 ? 273 VAL A C 1 ATOM 281 O O . VAL A 1 53 ? 17.284 16.936 -1.283 1.00 51.51 ? 273 VAL A O 1 ATOM 282 C CB . VAL A 1 53 ? 18.953 19.431 -1.963 1.00 47.95 ? 273 VAL A CB 1 ATOM 283 C CG1 . VAL A 1 53 ? 19.902 18.886 -3.032 1.00 51.11 ? 273 VAL A CG1 1 ATOM 284 C CG2 . VAL A 1 53 ? 19.035 20.953 -1.950 1.00 47.48 ? 273 VAL A CG2 1 ATOM 285 N N . LYS A 1 54 ? 17.541 16.841 -3.406 1.00 56.97 ? 274 LYS A N 1 ATOM 286 C CA . LYS A 1 54 ? 17.441 15.409 -3.375 1.00 55.19 ? 274 LYS A CA 1 ATOM 287 C C . LYS A 1 54 ? 18.613 14.942 -4.203 1.00 57.10 ? 274 LYS A C 1 ATOM 288 O O . LYS A 1 54 ? 18.858 15.533 -5.309 1.00 59.99 ? 274 LYS A O 1 ATOM 289 C CB . LYS A 1 54 ? 16.144 14.962 -4.031 1.00 65.93 ? 274 LYS A CB 1 ATOM 290 C CG . LYS A 1 54 ? 16.150 13.485 -4.508 1.00 75.18 ? 274 LYS A CG 1 ATOM 291 C CD . LYS A 1 54 ? 14.824 13.040 -5.131 1.00 77.10 ? 274 LYS A CD 1 ATOM 292 C CE . LYS A 1 54 ? 14.780 11.536 -5.309 1.00 84.59 ? 274 LYS A CE 1 ATOM 293 N NZ . LYS A 1 54 ? 14.115 11.255 -6.626 1.00 109.06 ? 274 LYS A NZ 1 ATOM 294 N N . PHE A 1 55 ? 19.335 13.919 -3.695 1.00 47.83 ? 275 PHE A N 1 ATOM 295 C CA . PHE A 1 55 ? 20.539 13.404 -4.351 1.00 43.61 ? 275 PHE A CA 1 ATOM 296 C C . PHE A 1 55 ? 20.261 12.027 -4.815 1.00 44.00 ? 275 PHE A C 1 ATOM 297 O O . PHE A 1 55 ? 19.458 11.360 -4.204 1.00 41.71 ? 275 PHE A O 1 ATOM 298 C CB . PHE A 1 55 ? 21.675 13.315 -3.412 1.00 41.12 ? 275 PHE A CB 1 ATOM 299 C CG . PHE A 1 55 ? 22.160 14.638 -2.887 1.00 42.37 ? 275 PHE A CG 1 ATOM 300 C CD1 . PHE A 1 55 ? 23.215 15.312 -3.506 1.00 45.14 ? 275 PHE A CD1 1 ATOM 301 C CD2 . PHE A 1 55 ? 21.583 15.206 -1.764 1.00 41.25 ? 275 PHE A CD2 1 ATOM 302 C CE1 . PHE A 1 55 ? 23.687 16.532 -3.004 1.00 45.19 ? 275 PHE A CE1 1 ATOM 303 C CE2 . PHE A 1 55 ? 22.029 16.410 -1.251 1.00 39.43 ? 275 PHE A CE2 1 ATOM 304 C CZ . PHE A 1 55 ? 23.109 17.069 -1.857 1.00 43.36 ? 275 PHE A CZ 1 ATOM 305 N N . ASN A 1 56 ? 20.785 11.657 -5.997 1.00 45.80 ? 276 ASN A N 1 ATOM 306 C CA . ASN A 1 56 ? 20.895 10.266 -6.371 1.00 41.96 ? 276 ASN A CA 1 ATOM 307 C C . ASN A 1 56 ? 22.321 10.052 -6.807 1.00 43.06 ? 276 ASN A C 1 ATOM 308 O O . ASN A 1 56 ? 22.901 10.946 -7.380 1.00 43.45 ? 276 ASN A O 1 ATOM 309 C CB . ASN A 1 56 ? 20.034 9.946 -7.510 1.00 42.03 ? 276 ASN A CB 1 ATOM 310 C CG . ASN A 1 56 ? 18.594 10.029 -7.181 1.00 43.07 ? 276 ASN A CG 1 ATOM 311 O OD1 . ASN A 1 56 ? 18.018 11.116 -7.220 1.00 46.52 ? 276 ASN A OD1 1 ATOM 312 N ND2 . ASN A 1 56 ? 17.960 8.883 -6.967 1.00 40.41 ? 276 ASN A ND2 1 ATOM 313 N N . TRP A 1 57 ? 22.873 8.876 -6.528 1.00 44.00 ? 277 TRP A N 1 ATOM 314 C CA . TRP A 1 57 ? 24.270 8.603 -6.733 1.00 44.04 ? 277 TRP A CA 1 ATOM 315 C C . TRP A 1 57 ? 24.466 7.387 -7.642 1.00 47.23 ? 277 TRP A C 1 ATOM 316 O O . TRP A 1 57 ? 23.757 6.354 -7.478 1.00 47.00 ? 277 TRP A O 1 ATOM 317 C CB . TRP A 1 57 ? 24.902 8.301 -5.376 1.00 40.20 ? 277 TRP A CB 1 ATOM 318 C CG . TRP A 1 57 ? 25.348 9.486 -4.646 1.00 41.83 ? 277 TRP A CG 1 ATOM 319 C CD1 . TRP A 1 57 ? 24.705 10.074 -3.609 1.00 42.00 ? 277 TRP A CD1 1 ATOM 320 C CD2 . TRP A 1 57 ? 26.567 10.257 -4.847 1.00 42.45 ? 277 TRP A CD2 1 ATOM 321 N NE1 . TRP A 1 57 ? 25.438 11.139 -3.137 1.00 41.89 ? 277 TRP A NE1 1 ATOM 322 C CE2 . TRP A 1 57 ? 26.563 11.293 -3.905 1.00 42.57 ? 277 TRP A CE2 1 ATOM 323 C CE3 . TRP A 1 57 ? 27.636 10.182 -5.748 1.00 44.42 ? 277 TRP A CE3 1 ATOM 324 C CZ2 . TRP A 1 57 ? 27.600 12.224 -3.815 1.00 42.75 ? 277 TRP A CZ2 1 ATOM 325 C CZ3 . TRP A 1 57 ? 28.645 11.124 -5.679 1.00 40.63 ? 277 TRP A CZ3 1 ATOM 326 C CH2 . TRP A 1 57 ? 28.631 12.107 -4.714 1.00 41.55 ? 277 TRP A CH2 1 ATOM 327 N N . TYR A 1 58 ? 25.442 7.453 -8.562 1.00 46.46 ? 278 TYR A N 1 ATOM 328 C CA . TYR A 1 58 ? 25.630 6.284 -9.479 1.00 46.60 ? 278 TYR A CA 1 ATOM 329 C C . TYR A 1 58 ? 27.086 5.959 -9.608 1.00 46.24 ? 278 TYR A C 1 ATOM 330 O O . TYR A 1 58 ? 27.903 6.834 -9.614 1.00 48.80 ? 278 TYR A O 1 ATOM 331 C CB . TYR A 1 58 ? 25.005 6.476 -10.880 1.00 45.01 ? 278 TYR A CB 1 ATOM 332 C CG . TYR A 1 58 ? 23.519 6.878 -10.885 1.00 44.98 ? 278 TYR A CG 1 ATOM 333 C CD1 . TYR A 1 58 ? 23.138 8.214 -10.686 1.00 44.07 ? 278 TYR A CD1 1 ATOM 334 C CD2 . TYR A 1 58 ? 22.498 5.930 -11.100 1.00 43.27 ? 278 TYR A CD2 1 ATOM 335 C CE1 . TYR A 1 58 ? 21.804 8.588 -10.652 1.00 44.18 ? 278 TYR A CE1 1 ATOM 336 C CE2 . TYR A 1 58 ? 21.172 6.307 -11.078 1.00 42.59 ? 278 TYR A CE2 1 ATOM 337 C CZ . TYR A 1 58 ? 20.851 7.641 -10.845 1.00 46.23 ? 278 TYR A CZ 1 ATOM 338 O OH . TYR A 1 58 ? 19.546 8.067 -10.783 1.00 56.57 ? 278 TYR A OH 1 ATOM 339 N N . VAL A 1 59 ? 27.385 4.675 -9.691 1.00 47.10 ? 279 VAL A N 1 ATOM 340 C CA . VAL A 1 59 ? 28.695 4.165 -10.032 1.00 44.67 ? 279 VAL A CA 1 ATOM 341 C C . VAL A 1 59 ? 28.673 3.437 -11.387 1.00 45.42 ? 279 VAL A C 1 ATOM 342 O O . VAL A 1 59 ? 28.060 2.337 -11.524 1.00 42.94 ? 279 VAL A O 1 ATOM 343 C CB . VAL A 1 59 ? 29.093 3.199 -8.952 1.00 43.02 ? 279 VAL A CB 1 ATOM 344 C CG1 . VAL A 1 59 ? 30.548 2.840 -9.073 1.00 41.15 ? 279 VAL A CG1 1 ATOM 345 C CG2 . VAL A 1 59 ? 28.849 3.889 -7.606 1.00 47.89 ? 279 VAL A CG2 1 ATOM 346 N N . ASP A 1 60 ? 29.311 4.061 -12.388 1.00 45.77 ? 280 ASP A N 1 ATOM 347 C CA . ASP A 1 60 ? 29.287 3.532 -13.793 1.00 47.09 ? 280 ASP A CA 1 ATOM 348 C C . ASP A 1 60 ? 27.835 3.147 -14.122 1.00 47.28 ? 280 ASP A C 1 ATOM 349 O O . ASP A 1 60 ? 27.550 1.983 -14.555 1.00 46.02 ? 280 ASP A O 1 ATOM 350 C CB . ASP A 1 60 ? 30.209 2.317 -13.924 1.00 46.97 ? 280 ASP A CB 1 ATOM 351 C CG . ASP A 1 60 ? 31.686 2.713 -14.002 1.00 50.74 ? 280 ASP A CG 1 ATOM 352 O OD1 . ASP A 1 60 ? 32.035 3.958 -14.007 1.00 49.85 ? 280 ASP A OD1 1 ATOM 353 O OD2 . ASP A 1 60 ? 32.496 1.758 -14.112 1.00 48.89 -1 280 ASP A OD2 1 ATOM 354 N N . GLY A 1 61 ? 26.929 4.085 -13.758 1.00 44.12 ? 281 GLY A N 1 ATOM 355 C CA . GLY A 1 61 ? 25.522 4.030 -14.108 1.00 44.17 ? 281 GLY A CA 1 ATOM 356 C C . GLY A 1 61 ? 24.571 3.319 -13.150 1.00 48.23 ? 281 GLY A C 1 ATOM 357 O O . GLY A 1 61 ? 23.347 3.454 -13.287 1.00 47.61 ? 281 GLY A O 1 ATOM 358 N N . VAL A 1 62 ? 25.090 2.531 -12.195 1.00 46.60 ? 282 VAL A N 1 ATOM 359 C CA . VAL A 1 62 ? 24.189 1.734 -11.358 1.00 48.49 ? 282 VAL A CA 1 ATOM 360 C C . VAL A 1 62 ? 23.923 2.552 -10.085 1.00 49.73 ? 282 VAL A C 1 ATOM 361 O O . VAL A 1 62 ? 24.890 3.031 -9.450 1.00 47.68 ? 282 VAL A O 1 ATOM 362 C CB . VAL A 1 62 ? 24.911 0.414 -10.989 1.00 51.24 ? 282 VAL A CB 1 ATOM 363 C CG1 . VAL A 1 62 ? 24.236 -0.315 -9.838 1.00 42.92 ? 282 VAL A CG1 1 ATOM 364 C CG2 . VAL A 1 62 ? 25.096 -0.468 -12.231 1.00 48.07 ? 282 VAL A CG2 1 ATOM 365 N N . GLU A 1 63 ? 22.652 2.728 -9.706 1.00 48.05 ? 283 GLU A N 1 ATOM 366 C CA . GLU A 1 63 ? 22.370 3.546 -8.510 1.00 47.20 ? 283 GLU A CA 1 ATOM 367 C C . GLU A 1 63 ? 22.853 2.916 -7.210 1.00 48.39 ? 283 GLU A C 1 ATOM 368 O O . GLU A 1 63 ? 22.737 1.696 -7.001 1.00 49.39 ? 283 GLU A O 1 ATOM 369 C CB . GLU A 1 63 ? 20.923 3.879 -8.404 1.00 46.34 ? 283 GLU A CB 1 ATOM 370 C CG . GLU A 1 63 ? 20.673 5.207 -7.756 1.00 48.25 ? 283 GLU A CG 1 ATOM 371 C CD . GLU A 1 63 ? 19.212 5.396 -7.446 1.00 52.14 ? 283 GLU A CD 1 ATOM 372 O OE1 . GLU A 1 63 ? 18.438 4.708 -8.104 1.00 60.93 ? 283 GLU A OE1 1 ATOM 373 O OE2 . GLU A 1 63 ? 18.821 6.220 -6.582 1.00 54.96 -1 283 GLU A OE2 1 ATOM 374 N N . VAL A 1 64 ? 23.482 3.721 -6.364 1.00 48.69 ? 284 VAL A N 1 ATOM 375 C CA . VAL A 1 64 ? 23.866 3.210 -5.036 1.00 47.70 ? 284 VAL A CA 1 ATOM 376 C C . VAL A 1 64 ? 23.157 3.930 -3.925 1.00 47.79 ? 284 VAL A C 1 ATOM 377 O O . VAL A 1 64 ? 22.886 5.110 -4.053 1.00 50.03 ? 284 VAL A O 1 ATOM 378 C CB . VAL A 1 64 ? 25.364 3.238 -4.746 1.00 42.94 ? 284 VAL A CB 1 ATOM 379 C CG1 . VAL A 1 64 ? 26.092 2.351 -5.721 1.00 38.00 ? 284 VAL A CG1 1 ATOM 380 C CG2 . VAL A 1 64 ? 25.866 4.647 -4.691 1.00 42.35 ? 284 VAL A CG2 1 ATOM 381 N N . HIS A 1 65 ? 22.880 3.231 -2.830 1.00 49.99 ? 285 HIS A N 1 ATOM 382 C CA . HIS A 1 65 ? 21.982 3.818 -1.821 1.00 47.53 ? 285 HIS A CA 1 ATOM 383 C C . HIS A 1 65 ? 22.608 4.077 -0.461 1.00 45.89 ? 285 HIS A C 1 ATOM 384 O O . HIS A 1 65 ? 21.911 4.003 0.501 1.00 46.50 ? 285 HIS A O 1 ATOM 385 C CB . HIS A 1 65 ? 20.768 2.948 -1.648 1.00 43.81 ? 285 HIS A CB 1 ATOM 386 C CG . HIS A 1 65 ? 19.951 2.836 -2.886 1.00 51.34 ? 285 HIS A CG 1 ATOM 387 N ND1 . HIS A 1 65 ? 19.119 3.854 -3.325 1.00 51.27 ? 285 HIS A ND1 1 ATOM 388 C CD2 . HIS A 1 65 ? 19.828 1.827 -3.787 1.00 50.83 ? 285 HIS A CD2 1 ATOM 389 C CE1 . HIS A 1 65 ? 18.536 3.480 -4.457 1.00 55.23 ? 285 HIS A CE1 1 ATOM 390 N NE2 . HIS A 1 65 ? 18.944 2.255 -4.754 1.00 55.16 ? 285 HIS A NE2 1 ATOM 391 N N . ASN A 1 66 ? 23.900 4.366 -0.376 1.00 45.08 ? 286 ASN A N 1 ATOM 392 C CA . ASN A 1 66 ? 24.549 4.560 0.929 1.00 42.90 ? 286 ASN A CA 1 ATOM 393 C C . ASN A 1 66 ? 25.566 5.677 0.958 1.00 45.87 ? 286 ASN A C 1 ATOM 394 O O . ASN A 1 66 ? 26.675 5.493 1.445 1.00 52.85 ? 286 ASN A O 1 ATOM 395 C CB . ASN A 1 66 ? 25.299 3.309 1.341 1.00 41.47 ? 286 ASN A CB 1 ATOM 396 C CG . ASN A 1 66 ? 26.379 2.868 0.317 1.00 45.24 ? 286 ASN A CG 1 ATOM 397 O OD1 . ASN A 1 66 ? 26.612 3.470 -0.797 1.00 48.14 ? 286 ASN A OD1 1 ATOM 398 N ND2 . ASN A 1 66 ? 27.017 1.773 0.664 1.00 40.46 ? 286 ASN A ND2 1 ATOM 399 N N . ALA A 1 67 ? 25.240 6.799 0.361 1.00 47.84 ? 287 ALA A N 1 ATOM 400 C CA . ALA A 1 67 ? 25.905 8.020 0.669 1.00 49.09 ? 287 ALA A CA 1 ATOM 401 C C . ALA A 1 67 ? 25.291 8.539 1.952 1.00 54.10 ? 287 ALA A C 1 ATOM 402 O O . ALA A 1 67 ? 24.190 8.188 2.319 1.00 60.62 ? 287 ALA A O 1 ATOM 403 C CB . ALA A 1 67 ? 25.681 9.011 -0.447 1.00 52.71 ? 287 ALA A CB 1 ATOM 404 N N . LYS A 1 68 ? 26.043 9.368 2.646 1.00 57.85 ? 288 LYS A N 1 ATOM 405 C CA . LYS A 1 68 ? 25.632 9.987 3.853 1.00 53.84 ? 288 LYS A CA 1 ATOM 406 C C . LYS A 1 68 ? 25.370 11.448 3.515 1.00 54.30 ? 288 LYS A C 1 ATOM 407 O O . LYS A 1 68 ? 26.300 12.191 3.233 1.00 51.93 ? 288 LYS A O 1 ATOM 408 C CB . LYS A 1 68 ? 26.781 9.908 4.837 1.00 63.90 ? 288 LYS A CB 1 ATOM 409 C CG . LYS A 1 68 ? 27.009 8.547 5.489 1.00 77.00 ? 288 LYS A CG 1 ATOM 410 C CD . LYS A 1 68 ? 25.675 7.951 5.918 1.00 86.31 ? 288 LYS A CD 1 ATOM 411 C CE . LYS A 1 68 ? 25.743 7.259 7.268 1.00 84.48 ? 288 LYS A CE 1 ATOM 412 N NZ . LYS A 1 68 ? 24.361 7.317 7.850 1.00 90.10 ? 288 LYS A NZ 1 ATOM 413 N N . THR A 1 69 ? 24.103 11.853 3.558 1.00 51.10 ? 289 THR A N 1 ATOM 414 C CA . THR A 1 69 ? 23.723 13.210 3.259 1.00 49.90 ? 289 THR A CA 1 ATOM 415 C C . THR A 1 69 ? 23.530 14.072 4.527 1.00 48.84 ? 289 THR A C 1 ATOM 416 O O . THR A 1 69 ? 22.900 13.671 5.470 1.00 50.41 ? 289 THR A O 1 ATOM 417 C CB . THR A 1 69 ? 22.440 13.175 2.412 1.00 47.40 ? 289 THR A CB 1 ATOM 418 O OG1 . THR A 1 69 ? 22.723 12.393 1.232 1.00 42.70 ? 289 THR A OG1 1 ATOM 419 C CG2 . THR A 1 69 ? 21.993 14.561 2.046 1.00 42.19 ? 289 THR A CG2 1 ATOM 420 N N . LYS A 1 70 ? 24.054 15.279 4.513 1.00 46.41 ? 290 LYS A N 1 ATOM 421 C CA . LYS A 1 70 ? 24.095 16.096 5.687 1.00 43.77 ? 290 LYS A CA 1 ATOM 422 C C . LYS A 1 70 ? 22.898 17.020 5.669 1.00 46.83 ? 290 LYS A C 1 ATOM 423 O O . LYS A 1 70 ? 22.411 17.400 4.631 1.00 45.18 ? 290 LYS A O 1 ATOM 424 C CB . LYS A 1 70 ? 25.349 16.898 5.680 1.00 41.78 ? 290 LYS A CB 1 ATOM 425 C CG . LYS A 1 70 ? 26.600 16.049 5.775 1.00 44.17 ? 290 LYS A CG 1 ATOM 426 C CD . LYS A 1 70 ? 27.777 17.005 6.002 1.00 49.32 ? 290 LYS A CD 1 ATOM 427 C CE . LYS A 1 70 ? 28.999 16.256 6.531 1.00 56.89 ? 290 LYS A CE 1 ATOM 428 N NZ . LYS A 1 70 ? 30.081 16.190 5.499 1.00 66.72 ? 290 LYS A NZ 1 ATOM 429 N N . PRO A 1 71 ? 22.366 17.356 6.848 1.00 50.50 ? 291 PRO A N 1 ATOM 430 C CA . PRO A 1 71 ? 21.211 18.276 6.829 1.00 45.60 ? 291 PRO A CA 1 ATOM 431 C C . PRO A 1 71 ? 21.642 19.610 6.252 1.00 46.39 ? 291 PRO A C 1 ATOM 432 O O . PRO A 1 71 ? 22.840 19.896 6.246 1.00 47.40 ? 291 PRO A O 1 ATOM 433 C CB . PRO A 1 71 ? 20.852 18.423 8.315 1.00 46.07 ? 291 PRO A CB 1 ATOM 434 C CG . PRO A 1 71 ? 21.983 17.858 9.095 1.00 44.17 ? 291 PRO A CG 1 ATOM 435 C CD . PRO A 1 71 ? 22.818 17.005 8.210 1.00 45.53 ? 291 PRO A CD 1 ATOM 436 N N . ARG A 1 72 ? 20.687 20.416 5.774 1.00 46.13 ? 292 ARG A N 1 ATOM 437 C CA . ARG A 1 72 ? 21.005 21.684 5.137 1.00 45.33 ? 292 ARG A CA 1 ATOM 438 C C . ARG A 1 72 ? 21.648 22.553 6.148 1.00 49.30 ? 292 ARG A C 1 ATOM 439 O O . ARG A 1 72 ? 21.385 22.323 7.318 1.00 60.65 ? 292 ARG A O 1 ATOM 440 C CB . ARG A 1 72 ? 19.740 22.359 4.597 1.00 42.25 ? 292 ARG A CB 1 ATOM 441 C CG . ARG A 1 72 ? 18.761 22.817 5.602 1.00 39.33 ? 292 ARG A CG 1 ATOM 442 C CD . ARG A 1 72 ? 17.383 23.111 5.044 1.00 42.18 ? 292 ARG A CD 1 ATOM 443 N NE . ARG A 1 72 ? 16.541 23.784 6.064 1.00 45.55 ? 292 ARG A NE 1 ATOM 444 C CZ . ARG A 1 72 ? 15.265 24.131 5.882 1.00 47.81 ? 292 ARG A CZ 1 ATOM 445 N NH1 . ARG A 1 72 ? 14.650 23.890 4.719 1.00 51.92 ? 292 ARG A NH1 1 ATOM 446 N NH2 . ARG A 1 72 ? 14.593 24.709 6.842 1.00 46.01 ? 292 ARG A NH2 1 ATOM 447 N N . GLU A 1 73 ? 22.403 23.581 5.723 1.00 52.89 ? 293 GLU A N 1 ATOM 448 C CA . GLU A 1 73 ? 23.106 24.536 6.605 1.00 56.00 ? 293 GLU A CA 1 ATOM 449 C C . GLU A 1 73 ? 23.020 25.960 5.983 1.00 56.89 ? 293 GLU A C 1 ATOM 450 O O . GLU A 1 73 ? 23.619 26.196 4.952 1.00 61.58 ? 293 GLU A O 1 ATOM 451 C CB . GLU A 1 73 ? 24.563 24.085 6.735 1.00 57.44 ? 293 GLU A CB 1 ATOM 452 C CG . GLU A 1 73 ? 25.261 24.234 8.076 1.00 75.84 ? 293 GLU A CG 1 ATOM 453 C CD . GLU A 1 73 ? 26.373 25.329 8.080 1.00 97.50 ? 293 GLU A CD 1 ATOM 454 O OE1 . GLU A 1 73 ? 27.576 25.054 7.723 1.00 84.09 ? 293 GLU A OE1 1 ATOM 455 O OE2 . GLU A 1 73 ? 26.050 26.492 8.470 1.00 102.29 -1 293 GLU A OE2 1 ATOM 456 N N . GLU A 1 74 ? 22.273 26.892 6.587 1.00 53.78 ? 294 GLU A N 1 ATOM 457 C CA . GLU A 1 74 ? 22.204 28.290 6.151 1.00 53.28 ? 294 GLU A CA 1 ATOM 458 C C . GLU A 1 74 ? 23.541 29.009 6.149 1.00 56.29 ? 294 GLU A C 1 ATOM 459 O O . GLU A 1 74 ? 24.253 28.947 7.108 1.00 66.81 ? 294 GLU A O 1 ATOM 460 C CB . GLU A 1 74 ? 21.279 29.082 7.045 1.00 55.00 ? 294 GLU A CB 1 ATOM 461 C CG . GLU A 1 74 ? 20.984 30.502 6.522 1.00 66.48 ? 294 GLU A CG 1 ATOM 462 C CD . GLU A 1 74 ? 20.038 30.534 5.303 1.00 71.72 ? 294 GLU A CD 1 ATOM 463 O OE1 . GLU A 1 74 ? 20.047 29.592 4.461 1.00 75.42 ? 294 GLU A OE1 1 ATOM 464 O OE2 . GLU A 1 74 ? 19.279 31.517 5.161 1.00 74.18 -1 294 GLU A OE2 1 ATOM 465 N N . GLN A 1 75 ? 23.881 29.736 5.099 1.00 56.08 ? 295 GLN A N 1 ATOM 466 C CA . GLN A 1 75 ? 25.209 30.373 4.998 1.00 53.58 ? 295 GLN A CA 1 ATOM 467 C C . GLN A 1 75 ? 25.139 31.835 5.347 1.00 54.57 ? 295 GLN A C 1 ATOM 468 O O . GLN A 1 75 ? 24.081 32.409 5.297 1.00 55.65 ? 295 GLN A O 1 ATOM 469 C CB . GLN A 1 75 ? 25.675 30.207 3.583 1.00 49.51 ? 295 GLN A CB 1 ATOM 470 C CG . GLN A 1 75 ? 25.762 28.754 3.224 1.00 47.75 ? 295 GLN A CG 1 ATOM 471 C CD . GLN A 1 75 ? 26.904 28.129 3.955 1.00 50.26 ? 295 GLN A CD 1 ATOM 472 O OE1 . GLN A 1 75 ? 28.040 28.619 3.834 1.00 52.88 ? 295 GLN A OE1 1 ATOM 473 N NE2 . GLN A 1 75 ? 26.617 27.115 4.805 1.00 45.61 ? 295 GLN A NE2 1 ATOM 474 N N . TYR A 1 76 ? 26.240 32.472 5.695 1.00 58.65 ? 296 TYR A N 1 ATOM 475 C CA . TYR A 1 76 ? 26.141 33.939 5.961 1.00 58.86 ? 296 TYR A CA 1 ATOM 476 C C . TYR A 1 76 ? 25.453 34.755 4.866 1.00 55.91 ? 296 TYR A C 1 ATOM 477 O O . TYR A 1 76 ? 24.864 35.746 5.158 1.00 56.90 ? 296 TYR A O 1 ATOM 478 C CB . TYR A 1 76 ? 27.483 34.564 6.410 1.00 59.24 ? 296 TYR A CB 1 ATOM 479 C CG . TYR A 1 76 ? 28.020 33.878 7.649 1.00 67.63 ? 296 TYR A CG 1 ATOM 480 C CD1 . TYR A 1 76 ? 27.141 33.287 8.605 1.00 73.38 ? 296 TYR A CD1 1 ATOM 481 C CD2 . TYR A 1 76 ? 29.402 33.795 7.908 1.00 72.01 ? 296 TYR A CD2 1 ATOM 482 C CE1 . TYR A 1 76 ? 27.636 32.625 9.742 1.00 74.84 ? 296 TYR A CE1 1 ATOM 483 C CE2 . TYR A 1 76 ? 29.900 33.155 9.064 1.00 73.86 ? 296 TYR A CE2 1 ATOM 484 C CZ . TYR A 1 76 ? 29.018 32.567 9.964 1.00 76.87 ? 296 TYR A CZ 1 ATOM 485 O OH . TYR A 1 76 ? 29.507 31.934 11.079 1.00 82.56 ? 296 TYR A OH 1 ATOM 486 N N . ASN A 1 77 ? 25.463 34.319 3.612 1.00 58.77 ? 297 ASN A N 1 ATOM 487 C CA . ASN A 1 77 ? 24.752 35.065 2.535 1.00 56.16 ? 297 ASN A CA 1 ATOM 488 C C . ASN A 1 77 ? 23.287 34.680 2.328 1.00 56.46 ? 297 ASN A C 1 ATOM 489 O O . ASN A 1 77 ? 22.725 35.024 1.333 1.00 61.39 ? 297 ASN A O 1 ATOM 490 C CB . ASN A 1 77 ? 25.507 34.959 1.222 1.00 55.75 ? 297 ASN A CB 1 ATOM 491 C CG . ASN A 1 77 ? 25.663 33.525 0.752 1.00 57.67 ? 297 ASN A CG 1 ATOM 492 O OD1 . ASN A 1 77 ? 24.856 32.649 1.131 1.00 59.29 ? 297 ASN A OD1 1 ATOM 493 N ND2 . ASN A 1 77 ? 26.706 33.257 -0.075 1.00 59.02 ? 297 ASN A ND2 1 ATOM 494 N N . SER A 1 78 ? 22.651 33.989 3.272 1.00 58.41 ? 298 SER A N 1 ATOM 495 C CA . SER A 1 78 ? 21.199 33.590 3.193 1.00 58.87 ? 298 SER A CA 1 ATOM 496 C C . SER A 1 78 ? 20.819 32.673 2.048 1.00 60.21 ? 298 SER A C 1 ATOM 497 O O . SER A 1 78 ? 19.745 32.846 1.442 1.00 64.57 ? 298 SER A O 1 ATOM 498 C CB . SER A 1 78 ? 20.297 34.788 3.115 1.00 55.50 ? 298 SER A CB 1 ATOM 499 O OG . SER A 1 78 ? 20.885 35.743 3.936 1.00 59.70 ? 298 SER A OG 1 ATOM 500 N N . THR A 1 79 ? 21.704 31.740 1.741 1.00 53.37 ? 299 THR A N 1 ATOM 501 C CA . THR A 1 79 ? 21.355 30.657 0.856 1.00 53.31 ? 299 THR A CA 1 ATOM 502 C C . THR A 1 79 ? 21.724 29.366 1.601 1.00 52.16 ? 299 THR A C 1 ATOM 503 O O . THR A 1 79 ? 22.547 29.364 2.542 1.00 52.19 ? 299 THR A O 1 ATOM 504 C CB . THR A 1 79 ? 22.086 30.837 -0.509 1.00 56.36 ? 299 THR A CB 1 ATOM 505 O OG1 . THR A 1 79 ? 23.506 30.624 -0.345 1.00 56.85 ? 299 THR A OG1 1 ATOM 506 C CG2 . THR A 1 79 ? 21.856 32.284 -1.063 1.00 51.48 ? 299 THR A CG2 1 ATOM 507 N N . TYR A 1 80 ? 21.094 28.266 1.264 1.00 50.83 ? 300 TYR A N 1 ATOM 508 C CA . TYR A 1 80 ? 21.378 27.020 1.999 1.00 49.63 ? 300 TYR A CA 1 ATOM 509 C C . TYR A 1 80 ? 22.554 26.300 1.308 1.00 51.65 ? 300 TYR A C 1 ATOM 510 O O . TYR A 1 80 ? 22.716 26.462 0.125 1.00 50.89 ? 300 TYR A O 1 ATOM 511 C CB . TYR A 1 80 ? 20.145 26.100 2.004 1.00 47.86 ? 300 TYR A CB 1 ATOM 512 C CG . TYR A 1 80 ? 19.149 26.424 3.086 1.00 49.95 ? 300 TYR A CG 1 ATOM 513 C CD1 . TYR A 1 80 ? 19.477 26.296 4.464 1.00 50.04 ? 300 TYR A CD1 1 ATOM 514 C CD2 . TYR A 1 80 ? 17.880 26.826 2.759 1.00 49.93 ? 300 TYR A CD2 1 ATOM 515 C CE1 . TYR A 1 80 ? 18.557 26.593 5.451 1.00 49.18 ? 300 TYR A CE1 1 ATOM 516 C CE2 . TYR A 1 80 ? 16.942 27.107 3.749 1.00 52.96 ? 300 TYR A CE2 1 ATOM 517 C CZ . TYR A 1 80 ? 17.282 27.002 5.100 1.00 52.04 ? 300 TYR A CZ 1 ATOM 518 O OH . TYR A 1 80 ? 16.344 27.382 6.037 1.00 47.34 ? 300 TYR A OH 1 ATOM 519 N N . ARG A 1 81 ? 23.372 25.522 2.021 1.00 49.68 ? 301 ARG A N 1 ATOM 520 C CA . ARG A 1 81 ? 24.362 24.690 1.337 1.00 48.35 ? 301 ARG A CA 1 ATOM 521 C C . ARG A 1 81 ? 24.041 23.269 1.746 1.00 49.12 ? 301 ARG A C 1 ATOM 522 O O . ARG A 1 81 ? 23.795 23.044 2.896 1.00 51.75 ? 301 ARG A O 1 ATOM 523 C CB . ARG A 1 81 ? 25.758 25.070 1.791 1.00 45.51 ? 301 ARG A CB 1 ATOM 524 C CG . ARG A 1 81 ? 26.908 24.237 1.235 1.00 43.17 ? 301 ARG A CG 1 ATOM 525 C CD . ARG A 1 81 ? 28.193 24.971 1.594 1.00 44.93 ? 301 ARG A CD 1 ATOM 526 N NE . ARG A 1 81 ? 29.396 24.232 1.270 1.00 48.50 ? 301 ARG A NE 1 ATOM 527 C CZ . ARG A 1 81 ? 29.972 23.275 2.023 1.00 53.95 ? 301 ARG A CZ 1 ATOM 528 N NH1 . ARG A 1 81 ? 29.506 22.854 3.203 1.00 51.46 ? 301 ARG A NH1 1 ATOM 529 N NH2 . ARG A 1 81 ? 31.062 22.696 1.575 1.00 56.41 ? 301 ARG A NH2 1 ATOM 530 N N . VAL A 1 82 ? 23.996 22.317 0.829 1.00 46.77 ? 302 VAL A N 1 ATOM 531 C CA . VAL A 1 82 ? 23.591 21.002 1.217 1.00 46.63 ? 302 VAL A CA 1 ATOM 532 C C . VAL A 1 82 ? 24.613 20.118 0.622 1.00 47.74 ? 302 VAL A C 1 ATOM 533 O O . VAL A 1 82 ? 24.910 20.285 -0.527 1.00 53.17 ? 302 VAL A O 1 ATOM 534 C CB . VAL A 1 82 ? 22.196 20.639 0.646 1.00 46.58 ? 302 VAL A CB 1 ATOM 535 C CG1 . VAL A 1 82 ? 21.714 19.336 1.246 1.00 43.07 ? 302 VAL A CG1 1 ATOM 536 C CG2 . VAL A 1 82 ? 21.190 21.721 0.939 1.00 43.96 ? 302 VAL A CG2 1 ATOM 537 N N . VAL A 1 83 ? 25.143 19.185 1.395 1.00 47.49 ? 303 VAL A N 1 ATOM 538 C CA . VAL A 1 83 ? 26.325 18.395 1.006 1.00 47.10 ? 303 VAL A CA 1 ATOM 539 C C . VAL A 1 83 ? 25.998 16.899 1.044 1.00 51.04 ? 303 VAL A C 1 ATOM 540 O O . VAL A 1 83 ? 25.276 16.412 1.979 1.00 51.93 ? 303 VAL A O 1 ATOM 541 C CB . VAL A 1 83 ? 27.480 18.601 2.037 1.00 44.72 ? 303 VAL A CB 1 ATOM 542 C CG1 . VAL A 1 83 ? 28.681 17.691 1.736 1.00 43.27 ? 303 VAL A CG1 1 ATOM 543 C CG2 . VAL A 1 83 ? 27.984 20.027 2.035 1.00 42.00 ? 303 VAL A CG2 1 ATOM 544 N N . SER A 1 84 ? 26.553 16.116 0.117 1.00 47.33 ? 304 SER A N 1 ATOM 545 C CA . SER A 1 84 ? 26.303 14.675 0.252 1.00 45.75 ? 304 SER A CA 1 ATOM 546 C C . SER A 1 84 ? 27.540 13.927 -0.024 1.00 46.20 ? 304 SER A C 1 ATOM 547 O O . SER A 1 84 ? 28.141 14.228 -1.017 1.00 48.03 ? 304 SER A O 1 ATOM 548 C CB . SER A 1 84 ? 25.185 14.232 -0.665 1.00 47.25 ? 304 SER A CB 1 ATOM 549 O OG . SER A 1 84 ? 25.177 12.832 -0.844 1.00 50.05 ? 304 SER A OG 1 ATOM 550 N N . VAL A 1 85 ? 27.938 12.995 0.876 1.00 43.68 ? 305 VAL A N 1 ATOM 551 C CA . VAL A 1 85 ? 29.256 12.292 0.804 1.00 42.65 ? 305 VAL A CA 1 ATOM 552 C C . VAL A 1 85 ? 29.170 10.779 0.475 1.00 44.37 ? 305 VAL A C 1 ATOM 553 O O . VAL A 1 85 ? 28.344 10.099 1.058 1.00 47.03 ? 305 VAL A O 1 ATOM 554 C CB . VAL A 1 85 ? 30.050 12.542 2.111 1.00 41.60 ? 305 VAL A CB 1 ATOM 555 C CG1 . VAL A 1 85 ? 31.482 11.992 2.071 1.00 37.78 ? 305 VAL A CG1 1 ATOM 556 C CG2 . VAL A 1 85 ? 30.087 14.046 2.375 1.00 41.98 ? 305 VAL A CG2 1 ATOM 557 N N . LEU A 1 86 ? 29.966 10.272 -0.482 1.00 42.97 ? 306 LEU A N 1 ATOM 558 C CA . LEU A 1 86 ? 29.963 8.831 -0.864 1.00 43.92 ? 306 LEU A CA 1 ATOM 559 C C . LEU A 1 86 ? 31.354 8.231 -0.731 1.00 47.75 ? 306 LEU A C 1 ATOM 560 O O . LEU A 1 86 ? 32.356 8.769 -1.195 1.00 54.63 ? 306 LEU A O 1 ATOM 561 C CB . LEU A 1 86 ? 29.502 8.625 -2.301 1.00 44.46 ? 306 LEU A CB 1 ATOM 562 C CG . LEU A 1 86 ? 29.360 7.167 -2.808 1.00 44.26 ? 306 LEU A CG 1 ATOM 563 C CD1 . LEU A 1 86 ? 28.182 6.475 -2.131 1.00 42.68 ? 306 LEU A CD1 1 ATOM 564 C CD2 . LEU A 1 86 ? 29.091 7.101 -4.300 1.00 42.36 ? 306 LEU A CD2 1 ATOM 565 N N . THR A 1 87 ? 31.458 7.145 -0.016 1.00 51.08 ? 307 THR A N 1 ATOM 566 C CA . THR A 1 87 ? 32.785 6.620 0.214 1.00 49.27 ? 307 THR A CA 1 ATOM 567 C C . THR A 1 87 ? 33.032 5.788 -0.985 1.00 47.95 ? 307 THR A C 1 ATOM 568 O O . THR A 1 87 ? 32.083 5.196 -1.498 1.00 51.12 ? 307 THR A O 1 ATOM 569 C CB . THR A 1 87 ? 32.741 5.779 1.469 1.00 46.49 ? 307 THR A CB 1 ATOM 570 O OG1 . THR A 1 87 ? 32.802 6.684 2.561 1.00 56.62 ? 307 THR A OG1 1 ATOM 571 C CG2 . THR A 1 87 ? 33.877 4.843 1.557 1.00 43.66 ? 307 THR A CG2 1 ATOM 572 N N . VAL A 1 88 ? 34.268 5.749 -1.472 1.00 45.32 ? 308 VAL A N 1 ATOM 573 C CA . VAL A 1 88 ? 34.540 4.934 -2.672 1.00 41.58 ? 308 VAL A CA 1 ATOM 574 C C . VAL A 1 88 ? 35.484 3.830 -2.343 1.00 41.94 ? 308 VAL A C 1 ATOM 575 O O . VAL A 1 88 ? 36.470 4.063 -1.702 1.00 45.97 ? 308 VAL A O 1 ATOM 576 C CB . VAL A 1 88 ? 35.094 5.771 -3.804 1.00 39.84 ? 308 VAL A CB 1 ATOM 577 C CG1 . VAL A 1 88 ? 34.148 6.878 -4.020 1.00 42.61 ? 308 VAL A CG1 1 ATOM 578 C CG2 . VAL A 1 88 ? 36.411 6.491 -3.464 1.00 39.72 ? 308 VAL A CG2 1 ATOM 579 N N . LEU A 1 89 ? 35.209 2.619 -2.783 1.00 43.07 ? 309 LEU A N 1 ATOM 580 C CA . LEU A 1 89 ? 36.227 1.576 -2.714 1.00 41.64 ? 309 LEU A CA 1 ATOM 581 C C . LEU A 1 89 ? 37.522 2.048 -3.368 1.00 45.04 ? 309 LEU A C 1 ATOM 582 O O . LEU A 1 89 ? 37.458 2.749 -4.371 1.00 47.31 ? 309 LEU A O 1 ATOM 583 C CB . LEU A 1 89 ? 35.699 0.346 -3.349 1.00 38.51 ? 309 LEU A CB 1 ATOM 584 C CG . LEU A 1 89 ? 34.241 0.043 -2.926 1.00 39.40 ? 309 LEU A CG 1 ATOM 585 C CD1 . LEU A 1 89 ? 33.903 -1.403 -3.251 1.00 37.44 ? 309 LEU A CD1 1 ATOM 586 C CD2 . LEU A 1 89 ? 33.855 0.330 -1.491 1.00 34.91 ? 309 LEU A CD2 1 ATOM 587 N N . HIS A 1 90 ? 38.680 1.670 -2.794 1.00 48.25 ? 310 HIS A N 1 ATOM 588 C CA . HIS A 1 90 ? 40.014 2.153 -3.209 1.00 50.59 ? 310 HIS A CA 1 ATOM 589 C C . HIS A 1 90 ? 40.243 1.660 -4.610 1.00 52.87 ? 310 HIS A C 1 ATOM 590 O O . HIS A 1 90 ? 40.607 2.408 -5.507 1.00 55.72 ? 310 HIS A O 1 ATOM 591 C CB . HIS A 1 90 ? 41.154 1.601 -2.311 1.00 52.73 ? 310 HIS A CB 1 ATOM 592 C CG . HIS A 1 90 ? 41.297 2.309 -1.004 1.00 51.74 ? 310 HIS A CG 1 ATOM 593 N ND1 . HIS A 1 90 ? 40.619 1.918 0.130 1.00 51.25 ? 310 HIS A ND1 1 ATOM 594 C CD2 . HIS A 1 90 ? 42.009 3.404 -0.658 1.00 56.34 ? 310 HIS A CD2 1 ATOM 595 C CE1 . HIS A 1 90 ? 40.914 2.748 1.119 1.00 51.60 ? 310 HIS A CE1 1 ATOM 596 N NE2 . HIS A 1 90 ? 41.740 3.669 0.663 1.00 53.06 ? 310 HIS A NE2 1 ATOM 597 N N . GLN A 1 91 ? 39.995 0.381 -4.793 1.00 49.81 ? 311 GLN A N 1 ATOM 598 C CA . GLN A 1 91 ? 40.178 -0.208 -6.097 1.00 48.92 ? 311 GLN A CA 1 ATOM 599 C C . GLN A 1 91 ? 39.164 0.306 -7.129 1.00 51.13 ? 311 GLN A C 1 ATOM 600 O O . GLN A 1 91 ? 39.514 0.345 -8.310 1.00 53.32 ? 311 GLN A O 1 ATOM 601 C CB . GLN A 1 91 ? 40.169 -1.728 -6.016 1.00 46.03 ? 311 GLN A CB 1 ATOM 602 C CG . GLN A 1 91 ? 38.842 -2.344 -5.631 1.00 45.67 ? 311 GLN A CG 1 ATOM 603 C CD . GLN A 1 91 ? 38.595 -2.453 -4.120 1.00 48.62 ? 311 GLN A CD 1 ATOM 604 O OE1 . GLN A 1 91 ? 39.180 -1.703 -3.284 1.00 46.88 ? 311 GLN A OE1 1 ATOM 605 N NE2 . GLN A 1 91 ? 37.724 -3.397 -3.756 1.00 46.75 ? 311 GLN A NE2 1 ATOM 606 N N . ASP A 1 92 ? 37.943 0.699 -6.718 1.00 49.16 ? 312 ASP A N 1 ATOM 607 C CA . ASP A 1 92 ? 36.997 1.278 -7.701 1.00 49.05 ? 312 ASP A CA 1 ATOM 608 C C . ASP A 1 92 ? 37.609 2.546 -8.230 1.00 50.31 ? 312 ASP A C 1 ATOM 609 O O . ASP A 1 92 ? 38.008 2.585 -9.409 1.00 52.18 ? 312 ASP A O 1 ATOM 610 C CB . ASP A 1 92 ? 35.572 1.474 -7.211 1.00 46.59 ? 312 ASP A CB 1 ATOM 611 C CG . ASP A 1 92 ? 34.857 0.156 -6.986 1.00 49.52 ? 312 ASP A CG 1 ATOM 612 O OD1 . ASP A 1 92 ? 35.541 -0.811 -7.259 1.00 48.70 ? 312 ASP A OD1 1 ATOM 613 O OD2 . ASP A 1 92 ? 33.673 0.038 -6.510 1.00 54.38 -1 312 ASP A OD2 1 ATOM 614 N N . TRP A 1 93 ? 37.833 3.514 -7.345 1.00 48.55 ? 313 TRP A N 1 ATOM 615 C CA . TRP A 1 93 ? 38.435 4.758 -7.786 1.00 47.55 ? 313 TRP A CA 1 ATOM 616 C C . TRP A 1 93 ? 39.567 4.496 -8.798 1.00 51.69 ? 313 TRP A C 1 ATOM 617 O O . TRP A 1 93 ? 39.493 4.957 -9.952 1.00 56.07 ? 313 TRP A O 1 ATOM 618 C CB . TRP A 1 93 ? 38.902 5.589 -6.629 1.00 43.62 ? 313 TRP A CB 1 ATOM 619 C CG . TRP A 1 93 ? 39.429 6.930 -7.074 1.00 44.14 ? 313 TRP A CG 1 ATOM 620 C CD1 . TRP A 1 93 ? 40.765 7.329 -7.176 1.00 43.15 ? 313 TRP A CD1 1 ATOM 621 C CD2 . TRP A 1 93 ? 38.643 8.068 -7.484 1.00 42.66 ? 313 TRP A CD2 1 ATOM 622 N NE1 . TRP A 1 93 ? 40.822 8.643 -7.617 1.00 41.53 ? 313 TRP A NE1 1 ATOM 623 C CE2 . TRP A 1 93 ? 39.546 9.109 -7.823 1.00 41.15 ? 313 TRP A CE2 1 ATOM 624 C CE3 . TRP A 1 93 ? 37.267 8.286 -7.657 1.00 43.33 ? 313 TRP A CE3 1 ATOM 625 C CZ2 . TRP A 1 93 ? 39.115 10.342 -8.305 1.00 41.63 ? 313 TRP A CZ2 1 ATOM 626 C CZ3 . TRP A 1 93 ? 36.836 9.566 -8.116 1.00 42.78 ? 313 TRP A CZ3 1 ATOM 627 C CH2 . TRP A 1 93 ? 37.761 10.567 -8.422 1.00 41.26 ? 313 TRP A CH2 1 ATOM 628 N N . LEU A 1 94 ? 40.548 3.701 -8.386 1.00 51.06 ? 314 LEU A N 1 ATOM 629 C CA . LEU A 1 94 ? 41.742 3.454 -9.149 1.00 52.37 ? 314 LEU A CA 1 ATOM 630 C C . LEU A 1 94 ? 41.522 2.763 -10.469 1.00 54.56 ? 314 LEU A C 1 ATOM 631 O O . LEU A 1 94 ? 42.368 2.904 -11.340 1.00 56.13 ? 314 LEU A O 1 ATOM 632 C CB . LEU A 1 94 ? 42.724 2.599 -8.365 1.00 54.03 ? 314 LEU A CB 1 ATOM 633 C CG . LEU A 1 94 ? 43.429 3.347 -7.246 1.00 61.03 ? 314 LEU A CG 1 ATOM 634 C CD1 . LEU A 1 94 ? 44.346 2.397 -6.516 1.00 63.71 ? 314 LEU A CD1 1 ATOM 635 C CD2 . LEU A 1 94 ? 44.238 4.567 -7.704 1.00 63.43 ? 314 LEU A CD2 1 ATOM 636 N N . ASN A 1 95 ? 40.462 1.955 -10.589 1.00 52.80 ? 315 ASN A N 1 ATOM 637 C CA . ASN A 1 95 ? 40.140 1.300 -11.840 1.00 51.01 ? 315 ASN A CA 1 ATOM 638 C C . ASN A 1 95 ? 39.277 2.175 -12.794 1.00 52.47 ? 315 ASN A C 1 ATOM 639 O O . ASN A 1 95 ? 38.638 1.659 -13.715 1.00 54.42 ? 315 ASN A O 1 ATOM 640 C CB . ASN A 1 95 ? 39.410 0.018 -11.571 1.00 52.61 ? 315 ASN A CB 1 ATOM 641 C CG . ASN A 1 95 ? 40.323 -1.177 -11.554 1.00 63.02 ? 315 ASN A CG 1 ATOM 642 O OD1 . ASN A 1 95 ? 41.216 -1.312 -12.411 1.00 72.93 ? 315 ASN A OD1 1 ATOM 643 N ND2 . ASN A 1 95 ? 40.121 -2.066 -10.583 1.00 63.35 ? 315 ASN A ND2 1 ATOM 644 N N . GLY A 1 96 ? 39.239 3.486 -12.570 1.00 49.61 ? 316 GLY A N 1 ATOM 645 C CA . GLY A 1 96 ? 38.507 4.370 -13.407 1.00 46.56 ? 316 GLY A CA 1 ATOM 646 C C . GLY A 1 96 ? 37.018 4.406 -13.265 1.00 49.76 ? 316 GLY A C 1 ATOM 647 O O . GLY A 1 96 ? 36.358 5.054 -14.089 1.00 53.38 ? 316 GLY A O 1 ATOM 648 N N . LYS A 1 97 ? 36.433 3.747 -12.257 1.00 50.83 ? 317 LYS A N 1 ATOM 649 C CA . LYS A 1 97 ? 34.966 3.855 -12.097 1.00 49.22 ? 317 LYS A CA 1 ATOM 650 C C . LYS A 1 97 ? 34.543 5.331 -12.008 1.00 50.42 ? 317 LYS A C 1 ATOM 651 O O . LYS A 1 97 ? 35.372 6.162 -11.628 1.00 51.34 ? 317 LYS A O 1 ATOM 652 C CB . LYS A 1 97 ? 34.468 3.098 -10.906 1.00 46.06 ? 317 LYS A CB 1 ATOM 653 C CG . LYS A 1 97 ? 34.661 1.599 -11.002 1.00 47.44 ? 317 LYS A CG 1 ATOM 654 C CD . LYS A 1 97 ? 33.584 0.822 -10.246 1.00 45.85 ? 317 LYS A CD 1 ATOM 655 C CE . LYS A 1 97 ? 33.905 -0.652 -10.376 1.00 50.75 ? 317 LYS A CE 1 ATOM 656 N NZ . LYS A 1 97 ? 33.096 -1.486 -9.454 1.00 53.76 ? 317 LYS A NZ 1 ATOM 657 N N . GLU A 1 98 ? 33.303 5.653 -12.414 1.00 49.34 ? 318 GLU A N 1 ATOM 658 C CA . GLU A 1 98 ? 32.846 7.043 -12.597 1.00 50.40 ? 318 GLU A CA 1 ATOM 659 C C . GLU A 1 98 ? 31.725 7.312 -11.629 1.00 51.05 ? 318 GLU A C 1 ATOM 660 O O . GLU A 1 98 ? 30.812 6.494 -11.458 1.00 52.98 ? 318 GLU A O 1 ATOM 661 C CB . GLU A 1 98 ? 32.334 7.274 -14.029 1.00 50.72 ? 318 GLU A CB 1 ATOM 662 C CG . GLU A 1 98 ? 33.442 7.135 -15.049 1.00 58.54 ? 318 GLU A CG 1 ATOM 663 C CD . GLU A 1 98 ? 33.010 7.344 -16.525 1.00 65.59 ? 318 GLU A CD 1 ATOM 664 O OE1 . GLU A 1 98 ? 33.871 7.077 -17.409 1.00 58.09 ? 318 GLU A OE1 1 ATOM 665 O OE2 . GLU A 1 98 ? 31.826 7.737 -16.809 1.00 70.15 -1 318 GLU A OE2 1 ATOM 666 N N . TYR A 1 99 ? 31.749 8.451 -10.981 1.00 48.90 ? 319 TYR A N 1 ATOM 667 C CA . TYR A 1 99 ? 30.752 8.637 -9.943 1.00 46.98 ? 319 TYR A CA 1 ATOM 668 C C . TYR A 1 99 ? 29.886 9.777 -10.369 1.00 48.11 ? 319 TYR A C 1 ATOM 669 O O . TYR A 1 99 ? 30.402 10.905 -10.672 1.00 48.94 ? 319 TYR A O 1 ATOM 670 C CB . TYR A 1 99 ? 31.434 8.915 -8.579 1.00 45.70 ? 319 TYR A CB 1 ATOM 671 C CG . TYR A 1 99 ? 32.216 7.726 -8.144 1.00 45.87 ? 319 TYR A CG 1 ATOM 672 C CD1 . TYR A 1 99 ? 33.500 7.478 -8.628 1.00 47.19 ? 319 TYR A CD1 1 ATOM 673 C CD2 . TYR A 1 99 ? 31.635 6.786 -7.298 1.00 49.51 ? 319 TYR A CD2 1 ATOM 674 C CE1 . TYR A 1 99 ? 34.189 6.343 -8.241 1.00 47.02 ? 319 TYR A CE1 1 ATOM 675 C CE2 . TYR A 1 99 ? 32.298 5.650 -6.916 1.00 48.15 ? 319 TYR A CE2 1 ATOM 676 C CZ . TYR A 1 99 ? 33.580 5.434 -7.384 1.00 48.28 ? 319 TYR A CZ 1 ATOM 677 O OH . TYR A 1 99 ? 34.201 4.275 -6.967 1.00 52.43 ? 319 TYR A OH 1 ATOM 678 N N . LYS A 1 100 ? 28.592 9.501 -10.445 1.00 46.42 ? 320 LYS A N 1 ATOM 679 C CA . LYS A 1 100 ? 27.677 10.543 -10.864 1.00 52.21 ? 320 LYS A CA 1 ATOM 680 C C . LYS A 1 100 ? 26.910 10.998 -9.694 1.00 49.27 ? 320 LYS A C 1 ATOM 681 O O . LYS A 1 100 ? 26.489 10.151 -8.920 1.00 54.98 ? 320 LYS A O 1 ATOM 682 C CB . LYS A 1 100 ? 26.664 10.013 -11.890 1.00 55.78 ? 320 LYS A CB 1 ATOM 683 C CG . LYS A 1 100 ? 25.812 11.108 -12.543 1.00 54.09 ? 320 LYS A CG 1 ATOM 684 C CD . LYS A 1 100 ? 24.601 10.476 -13.206 1.00 55.69 ? 320 LYS A CD 1 ATOM 685 C CE . LYS A 1 100 ? 24.825 10.164 -14.674 1.00 58.39 ? 320 LYS A CE 1 ATOM 686 N NZ . LYS A 1 100 ? 23.956 9.049 -15.121 1.00 60.23 ? 320 LYS A NZ 1 ATOM 687 N N . CYS A 1 101 ? 26.651 12.301 -9.612 1.00 48.86 ? 321 CYS A N 1 ATOM 688 C CA . CYS A 1 101 ? 25.811 12.884 -8.540 1.00 48.84 ? 321 CYS A CA 1 ATOM 689 C C . CYS A 1 101 ? 24.666 13.610 -9.200 1.00 50.40 ? 321 CYS A C 1 ATOM 690 O O . CYS A 1 101 ? 24.881 14.577 -9.964 1.00 53.29 ? 321 CYS A O 1 ATOM 691 C CB . CYS A 1 101 ? 26.588 13.882 -7.653 1.00 47.79 ? 321 CYS A CB 1 ATOM 692 S SG . CYS A 1 101 ? 25.502 14.799 -6.515 1.00 53.81 ? 321 CYS A SG 1 ATOM 693 N N . LYS A 1 102 ? 23.447 13.174 -8.931 1.00 47.90 ? 322 LYS A N 1 ATOM 694 C CA . LYS A 1 102 ? 22.321 13.826 -9.542 1.00 47.84 ? 322 LYS A CA 1 ATOM 695 C C . LYS A 1 102 ? 21.572 14.580 -8.487 1.00 52.51 ? 322 LYS A C 1 ATOM 696 O O . LYS A 1 102 ? 21.207 14.000 -7.397 1.00 56.29 ? 322 LYS A O 1 ATOM 697 C CB . LYS A 1 102 ? 21.435 12.785 -10.128 1.00 48.46 ? 322 LYS A CB 1 ATOM 698 C CG . LYS A 1 102 ? 20.097 13.335 -10.589 1.00 53.20 ? 322 LYS A CG 1 ATOM 699 C CD . LYS A 1 102 ? 19.368 12.309 -11.471 1.00 54.54 ? 322 LYS A CD 1 ATOM 700 C CE . LYS A 1 102 ? 17.972 12.811 -11.748 1.00 58.18 ? 322 LYS A CE 1 ATOM 701 N NZ . LYS A 1 102 ? 17.102 11.687 -12.196 1.00 66.57 ? 322 LYS A NZ 1 ATOM 702 N N . VAL A 1 103 ? 21.342 15.863 -8.769 1.00 49.83 ? 323 VAL A N 1 ATOM 703 C CA . VAL A 1 103 ? 20.725 16.770 -7.780 1.00 47.00 ? 323 VAL A CA 1 ATOM 704 C C . VAL A 1 103 ? 19.373 17.287 -8.298 1.00 52.25 ? 323 VAL A C 1 ATOM 705 O O . VAL A 1 103 ? 19.287 17.766 -9.452 1.00 57.25 ? 323 VAL A O 1 ATOM 706 C CB . VAL A 1 103 ? 21.648 17.975 -7.513 1.00 43.33 ? 323 VAL A CB 1 ATOM 707 C CG1 . VAL A 1 103 ? 20.992 19.018 -6.659 1.00 41.19 ? 323 VAL A CG1 1 ATOM 708 C CG2 . VAL A 1 103 ? 22.993 17.587 -6.940 1.00 41.78 ? 323 VAL A CG2 1 ATOM 709 N N . SER A 1 104 ? 18.326 17.213 -7.474 1.00 50.26 ? 324 SER A N 1 ATOM 710 C CA . SER A 1 104 ? 17.046 17.789 -7.860 1.00 49.51 ? 324 SER A CA 1 ATOM 711 C C . SER A 1 104 ? 16.548 18.787 -6.864 1.00 51.02 ? 324 SER A C 1 ATOM 712 O O . SER A 1 104 ? 16.790 18.682 -5.634 1.00 54.81 ? 324 SER A O 1 ATOM 713 C CB . SER A 1 104 ? 15.986 16.717 -7.967 1.00 51.85 ? 324 SER A CB 1 ATOM 714 O OG . SER A 1 104 ? 16.516 15.552 -8.562 1.00 56.00 ? 324 SER A OG 1 ATOM 715 N N . ASN A 1 105 ? 15.782 19.734 -7.382 1.00 52.15 ? 325 ASN A N 1 ATOM 716 C CA . ASN A 1 105 ? 15.357 20.856 -6.604 1.00 51.56 ? 325 ASN A CA 1 ATOM 717 C C . ASN A 1 105 ? 14.381 21.637 -7.442 1.00 54.72 ? 325 ASN A C 1 ATOM 718 O O . ASN A 1 105 ? 14.620 21.876 -8.622 1.00 58.85 ? 325 ASN A O 1 ATOM 719 C CB . ASN A 1 105 ? 16.544 21.715 -6.241 1.00 50.08 ? 325 ASN A CB 1 ATOM 720 C CG . ASN A 1 105 ? 16.129 22.925 -5.481 1.00 56.72 ? 325 ASN A CG 1 ATOM 721 O OD1 . ASN A 1 105 ? 16.011 24.027 -6.032 1.00 57.33 ? 325 ASN A OD1 1 ATOM 722 N ND2 . ASN A 1 105 ? 15.857 22.728 -4.176 1.00 63.82 ? 325 ASN A ND2 1 ATOM 723 N N . LYS A 1 106 ? 13.315 22.098 -6.813 1.00 57.86 ? 326 LYS A N 1 ATOM 724 C CA . LYS A 1 106 ? 12.120 22.551 -7.537 1.00 59.01 ? 326 LYS A CA 1 ATOM 725 C C . LYS A 1 106 ? 12.406 23.766 -8.370 1.00 61.76 ? 326 LYS A C 1 ATOM 726 O O . LYS A 1 106 ? 11.728 23.984 -9.368 1.00 63.09 ? 326 LYS A O 1 ATOM 727 C CB . LYS A 1 106 ? 10.939 22.820 -6.588 1.00 55.92 ? 326 LYS A CB 1 ATOM 728 C CG . LYS A 1 106 ? 10.251 21.538 -6.233 1.00 57.31 ? 326 LYS A CG 1 ATOM 729 C CD . LYS A 1 106 ? 8.922 21.747 -5.579 1.00 67.57 ? 326 LYS A CD 1 ATOM 730 C CE . LYS A 1 106 ? 8.524 20.439 -4.890 1.00 78.19 ? 326 LYS A CE 1 ATOM 731 N NZ . LYS A 1 106 ? 7.198 20.612 -4.206 1.00 85.71 ? 326 LYS A NZ 1 ATOM 732 N N . ALA A 1 107 ? 13.397 24.549 -7.942 1.00 59.96 ? 327 ALA A N 1 ATOM 733 C CA . ALA A 1 107 ? 13.789 25.771 -8.638 1.00 59.65 ? 327 ALA A CA 1 ATOM 734 C C . ALA A 1 107 ? 14.657 25.442 -9.845 1.00 63.67 ? 327 ALA A C 1 ATOM 735 O O . ALA A 1 107 ? 15.151 26.353 -10.532 1.00 64.94 ? 327 ALA A O 1 ATOM 736 C CB . ALA A 1 107 ? 14.550 26.704 -7.703 1.00 53.12 ? 327 ALA A CB 1 ATOM 737 N N . LEU A 1 108 ? 14.929 24.163 -10.092 1.00 63.88 ? 328 LEU A N 1 ATOM 738 C CA . LEU A 1 108 ? 15.712 23.857 -11.296 1.00 65.66 ? 328 LEU A CA 1 ATOM 739 C C . LEU A 1 108 ? 14.747 23.453 -12.414 1.00 70.24 ? 328 LEU A C 1 ATOM 740 O O . LEU A 1 108 ? 13.785 22.698 -12.147 1.00 75.29 ? 328 LEU A O 1 ATOM 741 C CB . LEU A 1 108 ? 16.730 22.749 -11.043 1.00 58.75 ? 328 LEU A CB 1 ATOM 742 C CG . LEU A 1 108 ? 17.919 22.913 -10.114 1.00 55.55 ? 328 LEU A CG 1 ATOM 743 C CD1 . LEU A 1 108 ? 18.664 21.619 -10.209 1.00 56.06 ? 328 LEU A CD1 1 ATOM 744 C CD2 . LEU A 1 108 ? 18.908 23.977 -10.515 1.00 53.97 ? 328 LEU A CD2 1 ATOM 745 N N . PRO A 1 109 ? 15.000 23.928 -13.659 1.00 71.13 ? 329 PRO A N 1 ATOM 746 C CA . PRO A 1 109 ? 14.240 23.479 -14.858 1.00 69.42 ? 329 PRO A CA 1 ATOM 747 C C . PRO A 1 109 ? 14.346 21.979 -15.021 1.00 65.87 ? 329 PRO A C 1 ATOM 748 O O . PRO A 1 109 ? 13.354 21.297 -15.338 1.00 67.66 ? 329 PRO A O 1 ATOM 749 C CB . PRO A 1 109 ? 14.950 24.159 -16.034 1.00 72.25 ? 329 PRO A CB 1 ATOM 750 C CG . PRO A 1 109 ? 16.261 24.642 -15.515 1.00 77.01 ? 329 PRO A CG 1 ATOM 751 C CD . PRO A 1 109 ? 16.152 24.787 -14.007 1.00 73.93 ? 329 PRO A CD 1 ATOM 752 N N . ALA A 1 110 ? 15.548 21.462 -14.793 1.00 62.70 ? 330 ALA A N 1 ATOM 753 C CA . ALA A 1 110 ? 15.743 20.002 -14.721 1.00 62.18 ? 330 ALA A CA 1 ATOM 754 C C . ALA A 1 110 ? 16.868 19.532 -13.770 1.00 59.05 ? 330 ALA A C 1 ATOM 755 O O . ALA A 1 110 ? 17.823 20.273 -13.496 1.00 61.01 ? 330 ALA A O 1 ATOM 756 C CB . ALA A 1 110 ? 15.972 19.460 -16.108 1.00 57.53 ? 330 ALA A CB 1 ATOM 757 N N . PRO A 1 111 ? 16.797 18.287 -13.286 1.00 56.23 ? 331 PRO A N 1 ATOM 758 C CA . PRO A 1 111 ? 17.930 17.884 -12.425 1.00 54.40 ? 331 PRO A CA 1 ATOM 759 C C . PRO A 1 111 ? 19.235 18.193 -13.113 1.00 57.01 ? 331 PRO A C 1 ATOM 760 O O . PRO A 1 111 ? 19.312 18.132 -14.361 1.00 61.32 ? 331 PRO A O 1 ATOM 761 C CB . PRO A 1 111 ? 17.793 16.375 -12.320 1.00 52.12 ? 331 PRO A CB 1 ATOM 762 C CG . PRO A 1 111 ? 16.360 16.118 -12.655 1.00 54.42 ? 331 PRO A CG 1 ATOM 763 C CD . PRO A 1 111 ? 15.808 17.223 -13.482 1.00 54.44 ? 331 PRO A CD 1 ATOM 764 N N . ILE A 1 112 ? 20.224 18.532 -12.300 1.00 55.14 ? 332 ILE A N 1 ATOM 765 C CA . ILE A 1 112 ? 21.616 18.670 -12.709 1.00 52.53 ? 332 ILE A CA 1 ATOM 766 C C . ILE A 1 112 ? 22.451 17.447 -12.372 1.00 53.78 ? 332 ILE A C 1 ATOM 767 O O . ILE A 1 112 ? 22.374 16.958 -11.233 1.00 59.31 ? 332 ILE A O 1 ATOM 768 C CB . ILE A 1 112 ? 22.254 19.778 -11.891 1.00 48.50 ? 332 ILE A CB 1 ATOM 769 C CG1 . ILE A 1 112 ? 21.611 21.083 -12.214 1.00 48.56 ? 332 ILE A CG1 1 ATOM 770 C CG2 . ILE A 1 112 ? 23.747 19.780 -12.073 1.00 44.76 ? 332 ILE A CG2 1 ATOM 771 C CD1 . ILE A 1 112 ? 22.258 22.250 -11.494 1.00 55.97 ? 332 ILE A CD1 1 ATOM 772 N N . GLU A 1 113 ? 23.303 17.012 -13.302 1.00 54.99 ? 333 GLU A N 1 ATOM 773 C CA . GLU A 1 113 ? 24.145 15.805 -13.135 1.00 53.88 ? 333 GLU A CA 1 ATOM 774 C C . GLU A 1 113 ? 25.613 16.101 -13.314 1.00 54.41 ? 333 GLU A C 1 ATOM 775 O O . GLU A 1 113 ? 25.996 16.641 -14.332 1.00 57.47 ? 333 GLU A O 1 ATOM 776 C CB . GLU A 1 113 ? 23.735 14.749 -14.135 1.00 53.20 ? 333 GLU A CB 1 ATOM 777 C CG . GLU A 1 113 ? 22.228 14.589 -14.191 1.00 60.58 ? 333 GLU A CG 1 ATOM 778 C CD . GLU A 1 113 ? 21.732 13.242 -14.698 1.00 67.55 ? 333 GLU A CD 1 ATOM 779 O OE1 . GLU A 1 113 ? 22.544 12.377 -15.067 1.00 74.94 ? 333 GLU A OE1 1 ATOM 780 O OE2 . GLU A 1 113 ? 20.493 13.040 -14.733 1.00 74.96 -1 333 GLU A OE2 1 ATOM 781 N N . LYS A 1 114 ? 26.444 15.799 -12.318 1.00 51.59 ? 334 LYS A N 1 ATOM 782 C CA . LYS A 1 114 ? 27.896 15.860 -12.533 1.00 49.42 ? 334 LYS A CA 1 ATOM 783 C C . LYS A 1 114 ? 28.516 14.494 -12.319 1.00 50.31 ? 334 LYS A C 1 ATOM 784 O O . LYS A 1 114 ? 27.965 13.678 -11.555 1.00 55.96 ? 334 LYS A O 1 ATOM 785 C CB . LYS A 1 114 ? 28.574 16.882 -11.629 1.00 48.05 ? 334 LYS A CB 1 ATOM 786 C CG . LYS A 1 114 ? 27.893 18.224 -11.539 1.00 48.32 ? 334 LYS A CG 1 ATOM 787 C CD . LYS A 1 114 ? 28.360 19.211 -12.550 1.00 50.71 ? 334 LYS A CD 1 ATOM 788 C CE . LYS A 1 114 ? 28.839 20.481 -11.877 1.00 54.62 ? 334 LYS A CE 1 ATOM 789 N NZ . LYS A 1 114 ? 28.171 21.473 -12.749 1.00 62.32 ? 334 LYS A NZ 1 ATOM 790 N N . THR A 1 115 ? 29.646 14.241 -12.989 1.00 49.72 ? 335 THR A N 1 ATOM 791 C CA . THR A 1 115 ? 30.339 12.935 -12.961 1.00 48.86 ? 335 THR A CA 1 ATOM 792 C C . THR A 1 115 ? 31.857 13.165 -12.745 1.00 49.40 ? 335 THR A C 1 ATOM 793 O O . THR A 1 115 ? 32.424 14.092 -13.283 1.00 52.29 ? 335 THR A O 1 ATOM 794 C CB . THR A 1 115 ? 30.133 12.155 -14.288 1.00 47.49 ? 335 THR A CB 1 ATOM 795 O OG1 . THR A 1 115 ? 28.743 12.007 -14.537 1.00 50.92 ? 335 THR A OG1 1 ATOM 796 C CG2 . THR A 1 115 ? 30.681 10.752 -14.181 1.00 44.19 ? 335 THR A CG2 1 ATOM 797 N N . ILE A 1 116 ? 32.526 12.301 -12.009 1.00 45.70 ? 336 ILE A N 1 ATOM 798 C CA . ILE A 1 116 ? 33.909 12.536 -11.710 1.00 45.04 ? 336 ILE A CA 1 ATOM 799 C C . ILE A 1 116 ? 34.435 11.134 -11.564 1.00 43.53 ? 336 ILE A C 1 ATOM 800 O O . ILE A 1 116 ? 33.639 10.172 -11.243 1.00 42.21 ? 336 ILE A O 1 ATOM 801 C CB . ILE A 1 116 ? 34.057 13.307 -10.337 1.00 49.41 ? 336 ILE A CB 1 ATOM 802 C CG1 . ILE A 1 116 ? 35.406 14.001 -10.246 1.00 53.22 ? 336 ILE A CG1 1 ATOM 803 C CG2 . ILE A 1 116 ? 33.847 12.416 -9.098 1.00 42.63 ? 336 ILE A CG2 1 ATOM 804 C CD1 . ILE A 1 116 ? 35.499 15.063 -9.177 1.00 55.20 ? 336 ILE A CD1 1 ATOM 805 N N . SER A 1 117 ? 35.754 11.039 -11.748 1.00 42.19 ? 337 SER A N 1 ATOM 806 C CA . SER A 1 117 ? 36.542 9.797 -11.710 1.00 43.42 ? 337 SER A CA 1 ATOM 807 C C . SER A 1 117 ? 38.053 10.205 -11.704 1.00 47.62 ? 337 SER A C 1 ATOM 808 O O . SER A 1 117 ? 38.394 11.379 -11.886 1.00 46.11 ? 337 SER A O 1 ATOM 809 C CB . SER A 1 117 ? 36.286 9.070 -12.987 1.00 43.48 ? 337 SER A CB 1 ATOM 810 O OG . SER A 1 117 ? 37.079 9.727 -13.988 1.00 43.38 ? 337 SER A OG 1 ATOM 811 N N . LYS A 1 118 ? 38.974 9.266 -11.553 1.00 50.66 ? 338 LYS A N 1 ATOM 812 C CA . LYS A 1 118 ? 40.384 9.648 -11.688 1.00 57.13 ? 338 LYS A CA 1 ATOM 813 C C . LYS A 1 118 ? 40.630 10.273 -13.043 1.00 59.62 ? 338 LYS A C 1 ATOM 814 O O . LYS A 1 118 ? 39.888 10.011 -13.957 1.00 64.53 ? 338 LYS A O 1 ATOM 815 C CB . LYS A 1 118 ? 41.328 8.463 -11.470 1.00 57.87 ? 338 LYS A CB 1 ATOM 816 C CG . LYS A 1 118 ? 41.532 7.565 -12.651 1.00 62.29 ? 338 LYS A CG 1 ATOM 817 C CD . LYS A 1 118 ? 42.581 6.570 -12.226 1.00 67.52 ? 338 LYS A CD 1 ATOM 818 C CE . LYS A 1 118 ? 42.755 5.448 -13.219 1.00 64.66 ? 338 LYS A CE 1 ATOM 819 N NZ . LYS A 1 118 ? 43.885 4.677 -12.617 1.00 65.18 ? 338 LYS A NZ 1 ATOM 820 N N . ALA A 1 119 ? 41.643 11.125 -13.143 1.00 60.86 ? 339 ALA A N 1 ATOM 821 C CA . ALA A 1 119 ? 42.092 11.675 -14.401 1.00 63.48 ? 339 ALA A CA 1 ATOM 822 C C . ALA A 1 119 ? 42.164 10.568 -15.460 1.00 64.91 ? 339 ALA A C 1 ATOM 823 O O . ALA A 1 119 ? 42.541 9.459 -15.147 1.00 64.15 ? 339 ALA A O 1 ATOM 824 C CB . ALA A 1 119 ? 43.449 12.318 -14.205 1.00 62.02 ? 339 ALA A CB 1 ATOM 825 N N . LYS A 1 120 ? 41.827 10.873 -16.712 1.00 71.53 ? 340 LYS A N 1 ATOM 826 C CA . LYS A 1 120 ? 41.725 9.832 -17.769 1.00 70.03 ? 340 LYS A CA 1 ATOM 827 C C . LYS A 1 120 ? 43.008 9.477 -18.548 1.00 70.98 ? 340 LYS A C 1 ATOM 828 O O . LYS A 1 120 ? 43.075 8.427 -19.168 1.00 71.20 ? 340 LYS A O 1 ATOM 829 C CB . LYS A 1 120 ? 40.665 10.226 -18.790 1.00 75.92 ? 340 LYS A CB 1 ATOM 830 C CG . LYS A 1 120 ? 39.369 10.759 -18.216 1.00 83.64 ? 340 LYS A CG 1 ATOM 831 C CD . LYS A 1 120 ? 38.273 9.704 -18.183 1.00 79.68 ? 340 LYS A CD 1 ATOM 832 C CE . LYS A 1 120 ? 36.994 10.319 -17.644 1.00 78.28 ? 340 LYS A CE 1 ATOM 833 N NZ . LYS A 1 120 ? 36.063 9.227 -17.255 1.00 92.19 ? 340 LYS A NZ 1 ATOM 834 N N . GLY A 1 121 ? 44.018 10.338 -18.560 1.00 72.64 ? 341 GLY A N 1 ATOM 835 C CA . GLY A 1 121 ? 45.304 9.978 -19.171 1.00 75.93 ? 341 GLY A CA 1 ATOM 836 C C . GLY A 1 121 ? 45.875 8.558 -19.078 1.00 79.15 ? 341 GLY A C 1 ATOM 837 O O . GLY A 1 121 ? 45.382 7.721 -18.350 1.00 81.82 ? 341 GLY A O 1 ATOM 838 N N . GLN A 1 122 ? 46.916 8.276 -19.860 1.00 85.56 ? 342 GLN A N 1 ATOM 839 C CA . GLN A 1 122 ? 47.662 7.042 -19.696 1.00 87.38 ? 342 GLN A CA 1 ATOM 840 C C . GLN A 1 122 ? 48.578 7.189 -18.485 1.00 83.73 ? 342 GLN A C 1 ATOM 841 O O . GLN A 1 122 ? 49.391 8.120 -18.414 1.00 81.42 ? 342 GLN A O 1 ATOM 842 C CB . GLN A 1 122 ? 48.464 6.701 -20.961 1.00 90.38 ? 342 GLN A CB 1 ATOM 843 C CG . GLN A 1 122 ? 48.062 5.378 -21.615 1.00 100.26 ? 342 GLN A CG 1 ATOM 844 C CD . GLN A 1 122 ? 48.267 4.154 -20.704 1.00 104.89 ? 342 GLN A CD 1 ATOM 845 O OE1 . GLN A 1 122 ? 47.381 3.300 -20.583 1.00 107.89 ? 342 GLN A OE1 1 ATOM 846 N NE2 . GLN A 1 122 ? 49.436 4.066 -20.058 1.00 97.56 ? 342 GLN A NE2 1 ATOM 847 N N . PRO A 1 123 ? 48.435 6.280 -17.517 1.00 87.41 ? 343 PRO A N 1 ATOM 848 C CA . PRO A 1 123 ? 49.200 6.345 -16.258 1.00 88.07 ? 343 PRO A CA 1 ATOM 849 C C . PRO A 1 123 ? 50.687 6.258 -16.520 1.00 83.45 ? 343 PRO A C 1 ATOM 850 O O . PRO A 1 123 ? 51.070 5.651 -17.498 1.00 86.04 ? 343 PRO A O 1 ATOM 851 C CB . PRO A 1 123 ? 48.697 5.121 -15.479 1.00 87.04 ? 343 PRO A CB 1 ATOM 852 C CG . PRO A 1 123 ? 47.299 4.934 -15.972 1.00 92.00 ? 343 PRO A CG 1 ATOM 853 C CD . PRO A 1 123 ? 47.391 5.238 -17.463 1.00 92.22 ? 343 PRO A CD 1 ATOM 854 N N . ARG A 1 124 ? 51.506 6.899 -15.685 1.00 80.76 ? 344 ARG A N 1 ATOM 855 C CA . ARG A 1 124 ? 52.961 6.927 -15.908 1.00 81.37 ? 344 ARG A CA 1 ATOM 856 C C . ARG A 1 124 ? 53.787 6.880 -14.601 1.00 79.14 ? 344 ARG A C 1 ATOM 857 O O . ARG A 1 124 ? 53.688 7.766 -13.748 1.00 72.90 ? 344 ARG A O 1 ATOM 858 C CB . ARG A 1 124 ? 53.344 8.120 -16.792 1.00 79.07 ? 344 ARG A CB 1 ATOM 859 C CG . ARG A 1 124 ? 53.017 7.898 -18.265 1.00 84.65 ? 344 ARG A CG 1 ATOM 860 C CD . ARG A 1 124 ? 53.118 9.172 -19.102 1.00 96.83 ? 344 ARG A CD 1 ATOM 861 N NE . ARG A 1 124 ? 54.418 9.854 -18.952 1.00 108.70 ? 344 ARG A NE 1 ATOM 862 C CZ . ARG A 1 124 ? 54.826 10.931 -19.642 1.00 118.21 ? 344 ARG A CZ 1 ATOM 863 N NH1 . ARG A 1 124 ? 54.054 11.500 -20.577 1.00 119.67 ? 344 ARG A NH1 1 ATOM 864 N NH2 . ARG A 1 124 ? 56.032 11.443 -19.395 1.00 115.79 ? 344 ARG A NH2 1 ATOM 865 N N . GLU A 1 125 ? 54.580 5.817 -14.464 1.00 80.34 ? 345 GLU A N 1 ATOM 866 C CA . GLU A 1 125 ? 55.421 5.529 -13.286 1.00 79.77 ? 345 GLU A CA 1 ATOM 867 C C . GLU A 1 125 ? 56.238 6.792 -12.962 1.00 77.70 ? 345 GLU A C 1 ATOM 868 O O . GLU A 1 125 ? 56.730 7.424 -13.867 1.00 85.22 ? 345 GLU A O 1 ATOM 869 C CB . GLU A 1 125 ? 56.356 4.349 -13.643 1.00 88.60 ? 345 GLU A CB 1 ATOM 870 C CG . GLU A 1 125 ? 56.492 3.253 -12.592 1.00 94.85 ? 345 GLU A CG 1 ATOM 871 C CD . GLU A 1 125 ? 57.543 2.190 -12.910 1.00 100.25 ? 345 GLU A CD 1 ATOM 872 O OE1 . GLU A 1 125 ? 58.517 2.468 -13.640 1.00 105.59 ? 345 GLU A OE1 1 ATOM 873 O OE2 . GLU A 1 125 ? 57.410 1.058 -12.396 1.00 104.73 -1 345 GLU A OE2 1 ATOM 874 N N . PRO A 1 126 ? 56.333 7.213 -11.689 1.00 75.32 ? 346 PRO A N 1 ATOM 875 C CA . PRO A 1 126 ? 57.222 8.354 -11.542 1.00 69.72 ? 346 PRO A CA 1 ATOM 876 C C . PRO A 1 126 ? 58.622 7.871 -11.407 1.00 73.23 ? 346 PRO A C 1 ATOM 877 O O . PRO A 1 126 ? 58.808 6.756 -10.962 1.00 75.29 ? 346 PRO A O 1 ATOM 878 C CB . PRO A 1 126 ? 56.809 8.952 -10.204 1.00 65.40 ? 346 PRO A CB 1 ATOM 879 C CG . PRO A 1 126 ? 56.150 7.828 -9.479 1.00 69.06 ? 346 PRO A CG 1 ATOM 880 C CD . PRO A 1 126 ? 55.417 7.091 -10.539 1.00 70.52 ? 346 PRO A CD 1 ATOM 881 N N . GLN A 1 127 ? 59.581 8.724 -11.778 1.00 78.21 ? 347 GLN A N 1 ATOM 882 C CA . GLN A 1 127 ? 61.005 8.521 -11.568 1.00 79.06 ? 347 GLN A CA 1 ATOM 883 C C . GLN A 1 127 ? 61.367 9.240 -10.295 1.00 82.65 ? 347 GLN A C 1 ATOM 884 O O . GLN A 1 127 ? 61.005 10.439 -10.140 1.00 84.23 ? 347 GLN A O 1 ATOM 885 C CB . GLN A 1 127 ? 61.804 9.199 -12.679 1.00 87.87 ? 347 GLN A CB 1 ATOM 886 C CG . GLN A 1 127 ? 61.501 8.729 -14.085 1.00 97.31 ? 347 GLN A CG 1 ATOM 887 C CD . GLN A 1 127 ? 61.151 7.258 -14.117 1.00 99.58 ? 347 GLN A CD 1 ATOM 888 O OE1 . GLN A 1 127 ? 61.945 6.394 -13.714 1.00 106.30 ? 347 GLN A OE1 1 ATOM 889 N NE2 . GLN A 1 127 ? 59.954 6.963 -14.593 1.00 96.15 ? 347 GLN A NE2 1 ATOM 890 N N . VAL A 1 128 ? 62.097 8.553 -9.406 1.00 77.17 ? 348 VAL A N 1 ATOM 891 C CA . VAL A 1 128 ? 62.514 9.161 -8.134 1.00 77.44 ? 348 VAL A CA 1 ATOM 892 C C . VAL A 1 128 ? 64.013 9.356 -8.091 1.00 81.87 ? 348 VAL A C 1 ATOM 893 O O . VAL A 1 128 ? 64.759 8.400 -8.329 1.00 92.51 ? 348 VAL A O 1 ATOM 894 C CB . VAL A 1 128 ? 62.030 8.347 -6.893 1.00 78.14 ? 348 VAL A CB 1 ATOM 895 C CG1 . VAL A 1 128 ? 62.430 9.004 -5.554 1.00 68.58 ? 348 VAL A CG1 1 ATOM 896 C CG2 . VAL A 1 128 ? 60.506 8.135 -6.960 1.00 73.81 ? 348 VAL A CG2 1 ATOM 897 N N . TYR A 1 129 ? 64.448 10.586 -7.789 1.00 78.43 ? 349 TYR A N 1 ATOM 898 C CA . TYR A 1 129 ? 65.865 10.862 -7.581 1.00 85.49 ? 349 TYR A CA 1 ATOM 899 C C . TYR A 1 129 ? 66.138 11.633 -6.313 1.00 90.78 ? 349 TYR A C 1 ATOM 900 O O . TYR A 1 129 ? 65.361 12.507 -5.911 1.00 96.63 ? 349 TYR A O 1 ATOM 901 C CB . TYR A 1 129 ? 66.440 11.639 -8.740 1.00 91.93 ? 349 TYR A CB 1 ATOM 902 C CG . TYR A 1 129 ? 66.121 11.050 -10.070 1.00 97.95 ? 349 TYR A CG 1 ATOM 903 C CD1 . TYR A 1 129 ? 66.685 9.847 -10.470 1.00 100.51 ? 349 TYR A CD1 1 ATOM 904 C CD2 . TYR A 1 129 ? 65.245 11.694 -10.935 1.00 101.48 ? 349 TYR A CD2 1 ATOM 905 C CE1 . TYR A 1 129 ? 66.376 9.295 -11.702 1.00 103.01 ? 349 TYR A CE1 1 ATOM 906 C CE2 . TYR A 1 129 ? 64.933 11.156 -12.174 1.00 107.28 ? 349 TYR A CE2 1 ATOM 907 C CZ . TYR A 1 129 ? 65.502 9.953 -12.559 1.00 105.36 ? 349 TYR A CZ 1 ATOM 908 O OH . TYR A 1 129 ? 65.194 9.414 -13.800 1.00 113.60 ? 349 TYR A OH 1 ATOM 909 N N . THR A 1 130 ? 67.264 11.317 -5.690 1.00 92.55 ? 350 THR A N 1 ATOM 910 C CA . THR A 1 130 ? 67.649 11.999 -4.474 1.00 95.68 ? 350 THR A CA 1 ATOM 911 C C . THR A 1 130 ? 68.831 12.917 -4.714 1.00 101.51 ? 350 THR A C 1 ATOM 912 O O . THR A 1 130 ? 69.700 12.661 -5.562 1.00 101.68 ? 350 THR A O 1 ATOM 913 C CB . THR A 1 130 ? 67.997 11.019 -3.354 1.00 98.21 ? 350 THR A CB 1 ATOM 914 O OG1 . THR A 1 130 ? 69.118 10.238 -3.760 1.00 107.25 ? 350 THR A OG1 1 ATOM 915 C CG2 . THR A 1 130 ? 66.837 10.094 -3.070 1.00 97.73 ? 350 THR A CG2 1 ATOM 916 N N . LEU A 1 131 ? 68.850 13.994 -3.940 1.00 101.35 ? 351 LEU A N 1 ATOM 917 C CA . LEU A 1 131 ? 69.788 15.063 -4.150 1.00 95.54 ? 351 LEU A CA 1 ATOM 918 C C . LEU A 1 131 ? 70.421 15.500 -2.848 1.00 94.36 ? 351 LEU A C 1 ATOM 919 O O . LEU A 1 131 ? 69.714 15.866 -1.880 1.00 86.81 ? 351 LEU A O 1 ATOM 920 C CB . LEU A 1 131 ? 69.085 16.242 -4.811 1.00 95.63 ? 351 LEU A CB 1 ATOM 921 C CG . LEU A 1 131 ? 68.446 15.953 -6.167 1.00 99.15 ? 351 LEU A CG 1 ATOM 922 C CD1 . LEU A 1 131 ? 67.819 17.215 -6.715 1.00 98.93 ? 351 LEU A CD1 1 ATOM 923 C CD2 . LEU A 1 131 ? 69.448 15.385 -7.164 1.00 102.76 ? 351 LEU A CD2 1 ATOM 924 N N . PRO A 1 132 ? 71.762 15.470 -2.829 1.00 97.85 ? 352 PRO A N 1 ATOM 925 C CA . PRO A 1 132 ? 72.596 15.918 -1.712 1.00 103.89 ? 352 PRO A CA 1 ATOM 926 C C . PRO A 1 132 ? 72.369 17.414 -1.428 1.00 105.87 ? 352 PRO A C 1 ATOM 927 O O . PRO A 1 132 ? 71.833 18.114 -2.298 1.00 104.51 ? 352 PRO A O 1 ATOM 928 C CB . PRO A 1 132 ? 74.021 15.666 -2.219 1.00 102.10 ? 352 PRO A CB 1 ATOM 929 C CG . PRO A 1 132 ? 73.882 14.664 -3.324 1.00 101.15 ? 352 PRO A CG 1 ATOM 930 C CD . PRO A 1 132 ? 72.573 14.994 -3.965 1.00 99.44 ? 352 PRO A CD 1 ATOM 931 N N . PRO A 1 133 ? 72.760 17.905 -0.222 1.00 105.84 ? 353 PRO A N 1 ATOM 932 C CA . PRO A 1 133 ? 72.607 19.339 0.035 1.00 104.14 ? 353 PRO A CA 1 ATOM 933 C C . PRO A 1 133 ? 73.459 20.104 -0.942 1.00 105.80 ? 353 PRO A C 1 ATOM 934 O O . PRO A 1 133 ? 74.385 19.549 -1.524 1.00 103.20 ? 353 PRO A O 1 ATOM 935 C CB . PRO A 1 133 ? 73.182 19.535 1.445 1.00 101.27 ? 353 PRO A CB 1 ATOM 936 C CG . PRO A 1 133 ? 73.328 18.192 2.016 1.00 101.36 ? 353 PRO A CG 1 ATOM 937 C CD . PRO A 1 133 ? 73.479 17.233 0.870 1.00 102.11 ? 353 PRO A CD 1 ATOM 938 N N . CYS A 1 134 ? 73.129 21.369 -1.119 1.00 111.29 ? 354 CYS A N 1 ATOM 939 C CA . CYS A 1 134 ? 73.924 22.282 -1.898 1.00 123.75 ? 354 CYS A CA 1 ATOM 940 C C . CYS A 1 134 ? 75.306 22.318 -1.285 1.00 131.17 ? 354 CYS A C 1 ATOM 941 O O . CYS A 1 134 ? 75.430 22.346 -0.055 1.00 133.25 ? 354 CYS A O 1 ATOM 942 C CB . CYS A 1 134 ? 73.295 23.644 -1.745 1.00 134.83 ? 354 CYS A CB 1 ATOM 943 S SG . CYS A 1 134 ? 73.724 24.947 -2.912 1.00 150.91 ? 354 CYS A SG 1 ATOM 944 N N . ARG A 1 135 ? 76.346 22.312 -2.117 1.00 132.73 ? 355 ARG A N 1 ATOM 945 C CA . ARG A 1 135 ? 77.696 22.329 -1.578 1.00 139.26 ? 355 ARG A CA 1 ATOM 946 C C . ARG A 1 135 ? 77.954 23.547 -0.677 1.00 143.70 ? 355 ARG A C 1 ATOM 947 O O . ARG A 1 135 ? 78.804 23.497 0.211 1.00 148.65 ? 355 ARG A O 1 ATOM 948 C CB . ARG A 1 135 ? 78.756 22.215 -2.678 1.00 146.26 ? 355 ARG A CB 1 ATOM 949 C CG . ARG A 1 135 ? 80.082 21.679 -2.136 1.00 154.92 ? 355 ARG A CG 1 ATOM 950 C CD . ARG A 1 135 ? 81.003 21.123 -3.208 1.00 156.45 ? 355 ARG A CD 1 ATOM 951 N NE . ARG A 1 135 ? 81.707 22.179 -3.934 1.00 160.05 ? 355 ARG A NE 1 ATOM 952 C CZ . ARG A 1 135 ? 82.540 21.970 -4.949 1.00 160.68 ? 355 ARG A CZ 1 ATOM 953 N NH1 . ARG A 1 135 ? 82.788 20.734 -5.368 1.00 161.26 ? 355 ARG A NH1 1 ATOM 954 N NH2 . ARG A 1 135 ? 83.126 23.001 -5.548 1.00 161.38 ? 355 ARG A NH2 1 ATOM 955 N N . ASP A 1 136 ? 77.186 24.615 -0.879 1.00 146.21 ? 356 ASP A N 1 ATOM 956 C CA . ASP A 1 136 ? 77.406 25.887 -0.175 1.00 151.04 ? 356 ASP A CA 1 ATOM 957 C C . ASP A 1 136 ? 76.639 26.097 1.135 1.00 151.62 ? 356 ASP A C 1 ATOM 958 O O . ASP A 1 136 ? 76.959 27.009 1.897 1.00 146.17 ? 356 ASP A O 1 ATOM 959 C CB . ASP A 1 136 ? 77.152 27.054 -1.123 1.00 150.07 ? 356 ASP A CB 1 ATOM 960 C CG . ASP A 1 136 ? 77.956 26.938 -2.390 1.00 152.11 ? 356 ASP A CG 1 ATOM 961 O OD1 . ASP A 1 136 ? 78.803 27.823 -2.629 1.00 149.01 ? 356 ASP A OD1 1 ATOM 962 O OD2 . ASP A 1 136 ? 77.757 25.938 -3.121 1.00 150.64 -1 356 ASP A OD2 1 ATOM 963 N N . GLU A 1 137 ? 75.629 25.267 1.390 1.00 160.71 ? 357 GLU A N 1 ATOM 964 C CA . GLU A 1 137 ? 74.946 25.264 2.690 1.00 167.49 ? 357 GLU A CA 1 ATOM 965 C C . GLU A 1 137 ? 75.628 24.316 3.689 1.00 173.29 ? 357 GLU A C 1 ATOM 966 O O . GLU A 1 137 ? 75.215 24.237 4.851 1.00 175.39 ? 357 GLU A O 1 ATOM 967 C CB . GLU A 1 137 ? 73.453 24.918 2.545 1.00 163.00 ? 357 GLU A CB 1 ATOM 968 C CG . GLU A 1 137 ? 72.667 25.807 1.578 1.00 159.84 ? 357 GLU A CG 1 ATOM 969 C CD . GLU A 1 137 ? 72.455 27.248 2.052 1.00 154.26 ? 357 GLU A CD 1 ATOM 970 O OE1 . GLU A 1 137 ? 73.187 27.726 2.964 1.00 142.10 ? 357 GLU A OE1 1 ATOM 971 O OE2 . GLU A 1 137 ? 71.544 27.904 1.482 1.00 138.23 -1 357 GLU A OE2 1 ATOM 972 N N . LEU A 1 138 ? 76.676 23.621 3.229 1.00 177.01 ? 358 LEU A N 1 ATOM 973 C CA . LEU A 1 138 ? 77.446 22.652 4.036 1.00 176.43 ? 358 LEU A CA 1 ATOM 974 C C . LEU A 1 138 ? 78.058 23.234 5.318 1.00 179.56 ? 358 LEU A C 1 ATOM 975 O O . LEU A 1 138 ? 78.636 22.495 6.117 1.00 176.12 ? 358 LEU A O 1 ATOM 976 C CB . LEU A 1 138 ? 78.543 21.973 3.190 1.00 176.93 ? 358 LEU A CB 1 ATOM 977 C CG . LEU A 1 138 ? 78.236 20.676 2.418 1.00 175.76 ? 358 LEU A CG 1 ATOM 978 C CD1 . LEU A 1 138 ? 79.348 20.342 1.428 1.00 170.34 ? 358 LEU A CD1 1 ATOM 979 C CD2 . LEU A 1 138 ? 77.980 19.496 3.356 1.00 174.81 ? 358 LEU A CD2 1 ATOM 980 N N . THR A 1 139 ? 77.925 24.551 5.500 1.00 182.97 ? 359 THR A N 1 ATOM 981 C CA . THR A 1 139 ? 78.387 25.252 6.713 1.00 178.64 ? 359 THR A CA 1 ATOM 982 C C . THR A 1 139 ? 77.266 25.471 7.762 1.00 185.30 ? 359 THR A C 1 ATOM 983 O O . THR A 1 139 ? 77.336 24.907 8.859 1.00 181.29 ? 359 THR A O 1 ATOM 984 C CB . THR A 1 139 ? 79.095 26.589 6.383 1.00 164.48 ? 359 THR A CB 1 ATOM 985 O OG1 . THR A 1 139 ? 78.274 27.356 5.496 1.00 152.07 ? 359 THR A OG1 1 ATOM 986 C CG2 . THR A 1 139 ? 80.459 26.342 5.742 1.00 158.76 ? 359 THR A CG2 1 ATOM 987 N N . LYS A 1 140 ? 76.245 26.275 7.430 1.00 185.01 ? 360 LYS A N 1 ATOM 988 C CA . LYS A 1 140 ? 75.093 26.501 8.328 1.00 177.65 ? 360 LYS A CA 1 ATOM 989 C C . LYS A 1 140 ? 74.630 25.171 8.951 1.00 174.31 ? 360 LYS A C 1 ATOM 990 O O . LYS A 1 140 ? 74.482 24.184 8.231 1.00 183.46 ? 360 LYS A O 1 ATOM 991 C CB . LYS A 1 140 ? 73.946 27.192 7.574 1.00 165.36 ? 360 LYS A CB 1 ATOM 992 C CG . LYS A 1 140 ? 72.687 27.376 8.405 1.00 156.73 ? 360 LYS A CG 1 ATOM 993 C CD . LYS A 1 140 ? 71.896 28.604 7.987 1.00 155.91 ? 360 LYS A CD 1 ATOM 994 C CE . LYS A 1 140 ? 70.735 28.260 7.060 1.00 146.12 ? 360 LYS A CE 1 ATOM 995 N NZ . LYS A 1 140 ? 71.064 28.433 5.617 1.00 139.21 ? 360 LYS A NZ 1 ATOM 996 N N . ASN A 1 141 ? 74.416 25.146 10.274 1.00 168.16 ? 361 ASN A N 1 ATOM 997 C CA . ASN A 1 141 ? 74.195 23.877 11.029 1.00 156.53 ? 361 ASN A CA 1 ATOM 998 C C . ASN A 1 141 ? 72.819 23.181 10.888 1.00 142.69 ? 361 ASN A C 1 ATOM 999 O O . ASN A 1 141 ? 72.389 22.383 11.741 1.00 133.17 ? 361 ASN A O 1 ATOM 1000 C CB . ASN A 1 141 ? 74.630 24.000 12.503 1.00 155.50 ? 361 ASN A CB 1 ATOM 1001 C CG . ASN A 1 141 ? 74.195 25.301 13.141 1.00 155.98 ? 361 ASN A CG 1 ATOM 1002 O OD1 . ASN A 1 141 ? 73.136 25.853 12.811 1.00 146.66 ? 361 ASN A OD1 1 ATOM 1003 N ND2 . ASN A 1 141 ? 75.015 25.802 14.067 1.00 156.47 ? 361 ASN A ND2 1 ATOM 1004 N N . GLN A 1 142 ? 72.147 23.504 9.792 1.00 135.33 ? 362 GLN A N 1 ATOM 1005 C CA . GLN A 1 142 ? 71.097 22.665 9.244 1.00 126.24 ? 362 GLN A CA 1 ATOM 1006 C C . GLN A 1 142 ? 71.182 22.603 7.718 1.00 117.37 ? 362 GLN A C 1 ATOM 1007 O O . GLN A 1 142 ? 71.410 23.619 7.052 1.00 112.88 ? 362 GLN A O 1 ATOM 1008 C CB . GLN A 1 142 ? 69.714 23.059 9.774 1.00 130.97 ? 362 GLN A CB 1 ATOM 1009 C CG . GLN A 1 142 ? 69.231 22.039 10.803 1.00 144.82 ? 362 GLN A CG 1 ATOM 1010 C CD . GLN A 1 142 ? 68.813 22.617 12.143 1.00 147.64 ? 362 GLN A CD 1 ATOM 1011 O OE1 . GLN A 1 142 ? 68.251 21.902 12.977 1.00 143.57 ? 362 GLN A OE1 1 ATOM 1012 N NE2 . GLN A 1 142 ? 69.090 23.901 12.367 1.00 150.02 ? 362 GLN A NE2 1 ATOM 1013 N N . VAL A 1 143 ? 71.057 21.383 7.192 1.00 114.42 ? 363 VAL A N 1 ATOM 1014 C CA . VAL A 1 143 ? 71.174 21.103 5.753 1.00 108.22 ? 363 VAL A CA 1 ATOM 1015 C C . VAL A 1 143 ? 69.876 20.567 5.142 1.00 106.47 ? 363 VAL A C 1 ATOM 1016 O O . VAL A 1 143 ? 68.904 20.245 5.845 1.00 108.95 ? 363 VAL A O 1 ATOM 1017 C CB . VAL A 1 143 ? 72.361 20.164 5.400 1.00 105.93 ? 363 VAL A CB 1 ATOM 1018 C CG1 . VAL A 1 143 ? 73.677 20.867 5.680 1.00 108.83 ? 363 VAL A CG1 1 ATOM 1019 C CG2 . VAL A 1 143 ? 72.266 18.832 6.139 1.00 102.74 ? 363 VAL A CG2 1 ATOM 1020 N N . SER A 1 144 ? 69.873 20.459 3.820 1.00 102.68 ? 364 SER A N 1 ATOM 1021 C CA . SER A 1 144 ? 68.656 20.165 3.111 1.00 92.59 ? 364 SER A CA 1 ATOM 1022 C C . SER A 1 144 ? 68.794 19.073 2.066 1.00 94.45 ? 364 SER A C 1 ATOM 1023 O O . SER A 1 144 ? 69.611 19.140 1.129 1.00 103.23 ? 364 SER A O 1 ATOM 1024 C CB . SER A 1 144 ? 68.120 21.439 2.486 1.00 91.78 ? 364 SER A CB 1 ATOM 1025 O OG . SER A 1 144 ? 67.418 22.190 3.451 1.00 88.61 ? 364 SER A OG 1 ATOM 1026 N N . LEU A 1 145 ? 67.943 18.081 2.228 1.00 86.53 ? 365 LEU A N 1 ATOM 1027 C CA . LEU A 1 145 ? 67.986 16.942 1.396 1.00 88.11 ? 365 LEU A CA 1 ATOM 1028 C C . LEU A 1 145 ? 66.789 17.026 0.499 1.00 92.21 ? 365 LEU A C 1 ATOM 1029 O O . LEU A 1 145 ? 65.670 17.330 0.956 1.00 89.76 ? 365 LEU A O 1 ATOM 1030 C CB . LEU A 1 145 ? 67.961 15.698 2.261 1.00 91.48 ? 365 LEU A CB 1 ATOM 1031 C CG . LEU A 1 145 ? 69.247 15.603 3.089 1.00 90.69 ? 365 LEU A CG 1 ATOM 1032 C CD1 . LEU A 1 145 ? 69.066 14.673 4.270 1.00 87.94 ? 365 LEU A CD1 1 ATOM 1033 C CD2 . LEU A 1 145 ? 70.358 15.121 2.183 1.00 94.91 ? 365 LEU A CD2 1 ATOM 1034 N N . TRP A 1 146 ? 67.030 16.748 -0.779 1.00 89.92 ? 366 TRP A N 1 ATOM 1035 C CA . TRP A 1 146 ? 66.040 17.014 -1.787 1.00 89.88 ? 366 TRP A CA 1 ATOM 1036 C C . TRP A 1 146 ? 65.648 15.787 -2.563 1.00 89.22 ? 366 TRP A C 1 ATOM 1037 O O . TRP A 1 146 ? 66.502 15.116 -3.146 1.00 99.43 ? 366 TRP A O 1 ATOM 1038 C CB . TRP A 1 146 ? 66.575 18.069 -2.757 1.00 96.46 ? 366 TRP A CB 1 ATOM 1039 C CG . TRP A 1 146 ? 66.611 19.439 -2.179 1.00 98.00 ? 366 TRP A CG 1 ATOM 1040 C CD1 . TRP A 1 146 ? 67.671 20.027 -1.558 1.00 101.55 ? 366 TRP A CD1 1 ATOM 1041 C CD2 . TRP A 1 146 ? 65.530 20.401 -2.141 1.00 98.59 ? 366 TRP A CD2 1 ATOM 1042 N NE1 . TRP A 1 146 ? 67.324 21.299 -1.148 1.00 107.98 ? 366 TRP A NE1 1 ATOM 1043 C CE2 . TRP A 1 146 ? 66.018 21.549 -1.490 1.00 103.84 ? 366 TRP A CE2 1 ATOM 1044 C CE3 . TRP A 1 146 ? 64.203 20.405 -2.603 1.00 97.06 ? 366 TRP A CE3 1 ATOM 1045 C CZ2 . TRP A 1 146 ? 65.225 22.701 -1.294 1.00 105.71 ? 366 TRP A CZ2 1 ATOM 1046 C CZ3 . TRP A 1 146 ? 63.406 21.555 -2.399 1.00 94.96 ? 366 TRP A CZ3 1 ATOM 1047 C CH2 . TRP A 1 146 ? 63.923 22.676 -1.749 1.00 100.09 ? 366 TRP A CH2 1 ATOM 1048 N N . CYS A 1 147 ? 64.351 15.525 -2.605 1.00 80.73 ? 367 CYS A N 1 ATOM 1049 C CA . CYS A 1 147 ? 63.828 14.427 -3.394 1.00 86.41 ? 367 CYS A CA 1 ATOM 1050 C C . CYS A 1 147 ? 63.140 14.946 -4.655 1.00 93.32 ? 367 CYS A C 1 ATOM 1051 O O . CYS A 1 147 ? 62.152 15.693 -4.567 1.00 94.20 ? 367 CYS A O 1 ATOM 1052 C CB . CYS A 1 147 ? 62.816 13.656 -2.579 1.00 82.11 ? 367 CYS A CB 1 ATOM 1053 S SG . CYS A 1 147 ? 62.481 12.017 -3.247 1.00 91.84 ? 367 CYS A SG 1 ATOM 1054 N N . LEU A 1 148 ? 63.660 14.574 -5.826 1.00 89.81 ? 368 LEU A N 1 ATOM 1055 C CA . LEU A 1 148 ? 62.984 14.925 -7.067 1.00 84.62 ? 368 LEU A CA 1 ATOM 1056 C C . LEU A 1 148 ? 62.193 13.733 -7.543 1.00 84.75 ? 368 LEU A C 1 ATOM 1057 O O . LEU A 1 148 ? 62.729 12.629 -7.709 1.00 88.20 ? 368 LEU A O 1 ATOM 1058 C CB . LEU A 1 148 ? 63.945 15.369 -8.169 1.00 92.86 ? 368 LEU A CB 1 ATOM 1059 C CG . LEU A 1 148 ? 63.342 16.194 -9.338 1.00 107.81 ? 368 LEU A CG 1 ATOM 1060 C CD1 . LEU A 1 148 ? 64.378 16.596 -10.389 1.00 110.15 ? 368 LEU A CD1 1 ATOM 1061 C CD2 . LEU A 1 148 ? 62.177 15.516 -10.044 1.00 110.54 ? 368 LEU A CD2 1 ATOM 1062 N N . VAL A 1 149 ? 60.911 13.977 -7.774 1.00 76.12 ? 369 VAL A N 1 ATOM 1063 C CA . VAL A 1 149 ? 60.004 12.977 -8.276 1.00 70.66 ? 369 VAL A CA 1 ATOM 1064 C C . VAL A 1 149 ? 59.379 13.506 -9.565 1.00 70.29 ? 369 VAL A C 1 ATOM 1065 O O . VAL A 1 149 ? 58.811 14.604 -9.588 1.00 69.60 ? 369 VAL A O 1 ATOM 1066 C CB . VAL A 1 149 ? 58.910 12.725 -7.224 1.00 64.78 ? 369 VAL A CB 1 ATOM 1067 C CG1 . VAL A 1 149 ? 57.995 11.549 -7.591 1.00 62.23 ? 369 VAL A CG1 1 ATOM 1068 C CG2 . VAL A 1 149 ? 59.559 12.468 -5.915 1.00 59.37 ? 369 VAL A CG2 1 ATOM 1069 N N . LYS A 1 150 ? 59.461 12.737 -10.639 1.00 70.50 ? 370 LYS A N 1 ATOM 1070 C CA . LYS A 1 150 ? 58.948 13.272 -11.899 1.00 73.90 ? 370 LYS A CA 1 ATOM 1071 C C . LYS A 1 150 ? 58.394 12.255 -12.899 1.00 75.95 ? 370 LYS A C 1 ATOM 1072 O O . LYS A 1 150 ? 58.539 11.034 -12.728 1.00 75.65 ? 370 LYS A O 1 ATOM 1073 C CB . LYS A 1 150 ? 60.006 14.121 -12.577 1.00 74.43 ? 370 LYS A CB 1 ATOM 1074 C CG . LYS A 1 150 ? 61.255 13.369 -12.983 1.00 80.75 ? 370 LYS A CG 1 ATOM 1075 C CD . LYS A 1 150 ? 62.088 14.187 -13.963 1.00 87.78 ? 370 LYS A CD 1 ATOM 1076 C CE . LYS A 1 150 ? 62.183 13.492 -15.315 1.00 93.55 ? 370 LYS A CE 1 ATOM 1077 N NZ . LYS A 1 150 ? 62.814 12.140 -15.130 1.00 102.84 ? 370 LYS A NZ 1 ATOM 1078 N N . GLY A 1 151 ? 57.753 12.781 -13.940 1.00 70.05 ? 371 GLY A N 1 ATOM 1079 C CA . GLY A 1 151 ? 57.253 11.953 -15.001 1.00 70.48 ? 371 GLY A CA 1 ATOM 1080 C C . GLY A 1 151 ? 56.005 11.192 -14.639 1.00 75.85 ? 371 GLY A C 1 ATOM 1081 O O . GLY A 1 151 ? 55.627 10.261 -15.363 1.00 83.33 ? 371 GLY A O 1 ATOM 1082 N N . PHE A 1 152 ? 55.339 11.577 -13.547 1.00 72.27 ? 372 PHE A N 1 ATOM 1083 C CA . PHE A 1 152 ? 54.191 10.802 -13.088 1.00 65.88 ? 372 PHE A CA 1 ATOM 1084 C C . PHE A 1 152 ? 52.868 11.300 -13.622 1.00 69.16 ? 372 PHE A C 1 ATOM 1085 O O . PHE A 1 152 ? 52.716 12.492 -13.936 1.00 71.06 ? 372 PHE A O 1 ATOM 1086 C CB . PHE A 1 152 ? 54.155 10.614 -11.559 1.00 63.66 ? 372 PHE A CB 1 ATOM 1087 C CG . PHE A 1 152 ? 54.193 11.886 -10.757 1.00 61.74 ? 372 PHE A CG 1 ATOM 1088 C CD1 . PHE A 1 152 ? 55.386 12.388 -10.285 1.00 63.29 ? 372 PHE A CD1 1 ATOM 1089 C CD2 . PHE A 1 152 ? 53.027 12.544 -10.410 1.00 62.66 ? 372 PHE A CD2 1 ATOM 1090 C CE1 . PHE A 1 152 ? 55.403 13.543 -9.511 1.00 62.80 ? 372 PHE A CE1 1 ATOM 1091 C CE2 . PHE A 1 152 ? 53.045 13.708 -9.667 1.00 56.47 ? 372 PHE A CE2 1 ATOM 1092 C CZ . PHE A 1 152 ? 54.230 14.214 -9.228 1.00 57.34 ? 372 PHE A CZ 1 ATOM 1093 N N . TYR A 1 153 ? 51.923 10.369 -13.743 1.00 66.84 ? 373 TYR A N 1 ATOM 1094 C CA . TYR A 1 153 ? 50.567 10.694 -14.121 1.00 63.96 ? 373 TYR A CA 1 ATOM 1095 C C . TYR A 1 153 ? 49.651 9.550 -13.732 1.00 64.80 ? 373 TYR A C 1 ATOM 1096 O O . TYR A 1 153 ? 49.935 8.413 -14.132 1.00 68.96 ? 373 TYR A O 1 ATOM 1097 C CB . TYR A 1 153 ? 50.470 10.864 -15.607 1.00 62.02 ? 373 TYR A CB 1 ATOM 1098 C CG . TYR A 1 153 ? 49.098 11.332 -16.011 1.00 61.39 ? 373 TYR A CG 1 ATOM 1099 C CD1 . TYR A 1 153 ? 48.861 12.685 -16.306 1.00 61.97 ? 373 TYR A CD1 1 ATOM 1100 C CD2 . TYR A 1 153 ? 48.040 10.442 -16.123 1.00 61.00 ? 373 TYR A CD2 1 ATOM 1101 C CE1 . TYR A 1 153 ? 47.611 13.141 -16.693 1.00 60.25 ? 373 TYR A CE1 1 ATOM 1102 C CE2 . TYR A 1 153 ? 46.784 10.891 -16.520 1.00 63.23 ? 373 TYR A CE2 1 ATOM 1103 C CZ . TYR A 1 153 ? 46.571 12.244 -16.789 1.00 62.44 ? 373 TYR A CZ 1 ATOM 1104 O OH . TYR A 1 153 ? 45.310 12.714 -17.127 1.00 64.62 ? 373 TYR A OH 1 ATOM 1105 N N . PRO A 1 154 ? 48.521 9.840 -13.027 1.00 59.36 ? 374 PRO A N 1 ATOM 1106 C CA . PRO A 1 154 ? 47.948 11.159 -12.758 1.00 57.04 ? 374 PRO A CA 1 ATOM 1107 C C . PRO A 1 154 ? 48.783 11.842 -11.753 1.00 56.04 ? 374 PRO A C 1 ATOM 1108 O O . PRO A 1 154 ? 49.783 11.233 -11.324 1.00 54.75 ? 374 PRO A O 1 ATOM 1109 C CB . PRO A 1 154 ? 46.577 10.848 -12.158 1.00 55.45 ? 374 PRO A CB 1 ATOM 1110 C CG . PRO A 1 154 ? 46.338 9.399 -12.376 1.00 53.56 ? 374 PRO A CG 1 ATOM 1111 C CD . PRO A 1 154 ? 47.708 8.792 -12.387 1.00 57.91 ? 374 PRO A CD 1 ATOM 1112 N N . SER A 1 155 ? 48.414 13.092 -11.410 1.00 55.26 ? 375 SER A N 1 ATOM 1113 C CA . SER A 1 155 ? 49.169 13.867 -10.398 1.00 55.12 ? 375 SER A CA 1 ATOM 1114 C C . SER A 1 155 ? 48.971 13.384 -8.983 1.00 55.12 ? 375 SER A C 1 ATOM 1115 O O . SER A 1 155 ? 49.696 13.833 -8.136 1.00 62.41 ? 375 SER A O 1 ATOM 1116 C CB . SER A 1 155 ? 48.834 15.364 -10.421 1.00 54.41 ? 375 SER A CB 1 ATOM 1117 O OG . SER A 1 155 ? 47.504 15.604 -9.937 1.00 52.12 ? 375 SER A OG 1 ATOM 1118 N N . ASP A 1 156 ? 47.967 12.535 -8.709 1.00 62.09 ? 376 ASP A N 1 ATOM 1119 C CA . ASP A 1 156 ? 47.727 11.983 -7.340 1.00 59.89 ? 376 ASP A CA 1 ATOM 1120 C C . ASP A 1 156 ? 48.953 11.237 -6.859 1.00 59.60 ? 376 ASP A C 1 ATOM 1121 O O . ASP A 1 156 ? 49.363 10.239 -7.480 1.00 58.23 ? 376 ASP A O 1 ATOM 1122 C CB . ASP A 1 156 ? 46.554 11.029 -7.320 1.00 62.56 ? 376 ASP A CB 1 ATOM 1123 C CG . ASP A 1 156 ? 45.217 11.714 -7.032 1.00 76.46 ? 376 ASP A CG 1 ATOM 1124 O OD1 . ASP A 1 156 ? 44.186 10.965 -7.059 1.00 85.75 ? 376 ASP A OD1 1 ATOM 1125 O OD2 . ASP A 1 156 ? 45.178 12.957 -6.748 1.00 73.79 -1 376 ASP A OD2 1 ATOM 1126 N N . ILE A 1 157 ? 49.589 11.737 -5.796 1.00 57.93 ? 377 ILE A N 1 ATOM 1127 C CA . ILE A 1 157 ? 50.787 11.059 -5.328 1.00 56.66 ? 377 ILE A CA 1 ATOM 1128 C C . ILE A 1 157 ? 51.043 11.247 -3.835 1.00 58.29 ? 377 ILE A C 1 ATOM 1129 O O . ILE A 1 157 ? 50.425 12.111 -3.221 1.00 63.13 ? 377 ILE A O 1 ATOM 1130 C CB . ILE A 1 157 ? 51.931 11.593 -6.125 1.00 57.55 ? 377 ILE A CB 1 ATOM 1131 C CG1 . ILE A 1 157 ? 53.195 10.798 -5.870 1.00 62.64 ? 377 ILE A CG1 1 ATOM 1132 C CG2 . ILE A 1 157 ? 52.112 13.050 -5.815 1.00 58.64 ? 377 ILE A CG2 1 ATOM 1133 C CD1 . ILE A 1 157 ? 54.190 11.048 -6.975 1.00 60.60 ? 377 ILE A CD1 1 ATOM 1134 N N . ALA A 1 158 ? 51.952 10.472 -3.236 1.00 57.52 ? 378 ALA A N 1 ATOM 1135 C CA . ALA A 1 158 ? 52.252 10.656 -1.777 1.00 55.73 ? 378 ALA A CA 1 ATOM 1136 C C . ALA A 1 158 ? 53.704 10.437 -1.464 1.00 56.00 ? 378 ALA A C 1 ATOM 1137 O O . ALA A 1 158 ? 54.269 9.386 -1.784 1.00 62.82 ? 378 ALA A O 1 ATOM 1138 C CB . ALA A 1 158 ? 51.387 9.775 -0.903 1.00 49.81 ? 378 ALA A CB 1 ATOM 1139 N N . VAL A 1 159 ? 54.323 11.431 -0.848 1.00 56.60 ? 379 VAL A N 1 ATOM 1140 C CA . VAL A 1 159 ? 55.760 11.381 -0.592 1.00 61.08 ? 379 VAL A CA 1 ATOM 1141 C C . VAL A 1 159 ? 56.153 11.519 0.901 1.00 65.77 ? 379 VAL A C 1 ATOM 1142 O O . VAL A 1 159 ? 55.608 12.351 1.615 1.00 66.41 ? 379 VAL A O 1 ATOM 1143 C CB . VAL A 1 159 ? 56.429 12.511 -1.364 1.00 62.52 ? 379 VAL A CB 1 ATOM 1144 C CG1 . VAL A 1 159 ? 57.943 12.487 -1.206 1.00 68.23 ? 379 VAL A CG1 1 ATOM 1145 C CG2 . VAL A 1 159 ? 56.034 12.453 -2.818 1.00 62.84 ? 379 VAL A CG2 1 ATOM 1146 N N . GLU A 1 160 ? 57.108 10.726 1.367 1.00 67.90 ? 380 GLU A N 1 ATOM 1147 C CA . GLU A 1 160 ? 57.514 10.817 2.759 1.00 77.76 ? 380 GLU A CA 1 ATOM 1148 C C . GLU A 1 160 ? 58.978 10.597 2.831 1.00 83.27 ? 380 GLU A C 1 ATOM 1149 O O . GLU A 1 160 ? 59.580 10.013 1.911 1.00 83.36 ? 380 GLU A O 1 ATOM 1150 C CB . GLU A 1 160 ? 56.880 9.728 3.627 1.00 84.90 ? 380 GLU A CB 1 ATOM 1151 C CG . GLU A 1 160 ? 55.408 9.907 3.947 1.00 96.31 ? 380 GLU A CG 1 ATOM 1152 C CD . GLU A 1 160 ? 54.895 8.846 4.915 1.00 104.12 ? 380 GLU A CD 1 ATOM 1153 O OE1 . GLU A 1 160 ? 55.730 8.273 5.673 1.00 98.14 ? 380 GLU A OE1 1 ATOM 1154 O OE2 . GLU A 1 160 ? 53.657 8.600 4.910 1.00 100.04 -1 380 GLU A OE2 1 ATOM 1155 N N . TRP A 1 161 ? 59.528 11.022 3.963 1.00 78.98 ? 381 TRP A N 1 ATOM 1156 C CA . TRP A 1 161 ? 60.887 10.738 4.298 1.00 81.85 ? 381 TRP A CA 1 ATOM 1157 C C . TRP A 1 161 ? 61.025 9.807 5.499 1.00 85.09 ? 381 TRP A C 1 ATOM 1158 O O . TRP A 1 161 ? 60.174 9.767 6.395 1.00 85.20 ? 381 TRP A O 1 ATOM 1159 C CB . TRP A 1 161 ? 61.561 12.041 4.622 1.00 89.03 ? 381 TRP A CB 1 ATOM 1160 C CG . TRP A 1 161 ? 61.984 12.852 3.433 1.00 91.62 ? 381 TRP A CG 1 ATOM 1161 C CD1 . TRP A 1 161 ? 61.366 13.956 2.935 1.00 83.62 ? 381 TRP A CD1 1 ATOM 1162 C CD2 . TRP A 1 161 ? 63.154 12.654 2.638 1.00 89.56 ? 381 TRP A CD2 1 ATOM 1163 N NE1 . TRP A 1 161 ? 62.067 14.448 1.877 1.00 84.35 ? 381 TRP A NE1 1 ATOM 1164 C CE2 . TRP A 1 161 ? 63.176 13.677 1.675 1.00 83.28 ? 381 TRP A CE2 1 ATOM 1165 C CE3 . TRP A 1 161 ? 64.183 11.712 2.651 1.00 92.41 ? 381 TRP A CE3 1 ATOM 1166 C CZ2 . TRP A 1 161 ? 64.179 13.795 0.735 1.00 86.76 ? 381 TRP A CZ2 1 ATOM 1167 C CZ3 . TRP A 1 161 ? 65.178 11.823 1.706 1.00 98.59 ? 381 TRP A CZ3 1 ATOM 1168 C CH2 . TRP A 1 161 ? 65.169 12.864 0.759 1.00 94.14 ? 381 TRP A CH2 1 ATOM 1169 N N . GLU A 1 162 ? 62.122 9.073 5.540 1.00 85.01 ? 382 GLU A N 1 ATOM 1170 C CA . GLU A 1 162 ? 62.383 8.278 6.704 1.00 90.36 ? 382 GLU A CA 1 ATOM 1171 C C . GLU A 1 162 ? 63.823 7.860 6.880 1.00 95.99 ? 382 GLU A C 1 ATOM 1172 O O . GLU A 1 162 ? 64.569 7.722 5.917 1.00 96.53 ? 382 GLU A O 1 ATOM 1173 C CB . GLU A 1 162 ? 61.506 7.049 6.681 1.00 94.60 ? 382 GLU A CB 1 ATOM 1174 C CG . GLU A 1 162 ? 61.464 6.315 5.360 1.00 94.87 ? 382 GLU A CG 1 ATOM 1175 C CD . GLU A 1 162 ? 60.127 5.627 5.225 1.00 104.55 ? 382 GLU A CD 1 ATOM 1176 O OE1 . GLU A 1 162 ? 59.219 6.327 4.706 1.00 94.16 ? 382 GLU A OE1 1 ATOM 1177 O OE2 . GLU A 1 162 ? 59.971 4.445 5.709 1.00 110.64 -1 382 GLU A OE2 1 ATOM 1178 N N . SER A 1 163 ? 64.192 7.636 8.134 1.00 98.25 ? 383 SER A N 1 ATOM 1179 C CA . SER A 1 163 ? 65.532 7.276 8.469 1.00 104.28 ? 383 SER A CA 1 ATOM 1180 C C . SER A 1 163 ? 65.400 6.019 9.262 1.00 119.05 ? 383 SER A C 1 ATOM 1181 O O . SER A 1 163 ? 64.432 5.879 10.011 1.00 130.64 ? 383 SER A O 1 ATOM 1182 C CB . SER A 1 163 ? 66.151 8.368 9.319 1.00 101.25 ? 383 SER A CB 1 ATOM 1183 O OG . SER A 1 163 ? 67.555 8.203 9.359 1.00 106.20 ? 383 SER A OG 1 ATOM 1184 N N . ASN A 1 164 ? 66.351 5.101 9.100 1.00 124.99 ? 384 ASN A N 1 ATOM 1185 C CA . ASN A 1 164 ? 66.281 3.809 9.779 1.00 130.20 ? 384 ASN A CA 1 ATOM 1186 C C . ASN A 1 164 ? 64.845 3.495 10.251 1.00 129.60 ? 384 ASN A C 1 ATOM 1187 O O . ASN A 1 164 ? 64.507 3.695 11.420 1.00 124.44 ? 384 ASN A O 1 ATOM 1188 C CB . ASN A 1 164 ? 67.263 3.736 10.968 1.00 138.48 ? 384 ASN A CB 1 ATOM 1189 C CG . ASN A 1 164 ? 68.676 4.208 10.620 1.00 139.12 ? 384 ASN A CG 1 ATOM 1190 O OD1 . ASN A 1 164 ? 69.565 3.404 10.310 1.00 136.55 ? 384 ASN A OD1 1 ATOM 1191 N ND2 . ASN A 1 164 ? 68.896 5.514 10.709 1.00 134.59 ? 384 ASN A ND2 1 ATOM 1192 N N . GLY A 1 165 ? 63.994 3.060 9.320 1.00 132.23 ? 385 GLY A N 1 ATOM 1193 C CA . GLY A 1 165 ? 62.641 2.586 9.638 1.00 130.30 ? 385 GLY A CA 1 ATOM 1194 C C . GLY A 1 165 ? 61.652 3.656 10.050 1.00 127.32 ? 385 GLY A C 1 ATOM 1195 O O . GLY A 1 165 ? 60.483 3.623 9.643 1.00 131.43 ? 385 GLY A O 1 ATOM 1196 N N . GLN A 1 166 ? 62.130 4.605 10.849 1.00 120.22 ? 386 GLN A N 1 ATOM 1197 C CA . GLN A 1 166 ? 61.299 5.679 11.393 1.00 117.42 ? 386 GLN A CA 1 ATOM 1198 C C . GLN A 1 166 ? 60.902 6.758 10.402 1.00 112.90 ? 386 GLN A C 1 ATOM 1199 O O . GLN A 1 166 ? 61.693 7.131 9.536 1.00 107.03 ? 386 GLN A O 1 ATOM 1200 C CB . GLN A 1 166 ? 61.979 6.328 12.599 1.00 126.76 ? 386 GLN A CB 1 ATOM 1201 C CG . GLN A 1 166 ? 62.088 5.398 13.798 1.00 138.96 ? 386 GLN A CG 1 ATOM 1202 C CD . GLN A 1 166 ? 60.975 4.359 13.824 1.00 138.57 ? 386 GLN A CD 1 ATOM 1203 O OE1 . GLN A 1 166 ? 59.801 4.693 14.005 1.00 131.04 ? 386 GLN A OE1 1 ATOM 1204 N NE2 . GLN A 1 166 ? 61.340 3.092 13.620 1.00 137.77 ? 386 GLN A NE2 1 ATOM 1205 N N . PRO A 1 167 ? 59.673 7.285 10.553 1.00 110.11 ? 387 PRO A N 1 ATOM 1206 C CA . PRO A 1 167 ? 59.185 8.363 9.698 1.00 105.12 ? 387 PRO A CA 1 ATOM 1207 C C . PRO A 1 167 ? 59.781 9.684 10.141 1.00 101.60 ? 387 PRO A C 1 ATOM 1208 O O . PRO A 1 167 ? 59.808 9.960 11.332 1.00 102.54 ? 387 PRO A O 1 ATOM 1209 C CB . PRO A 1 167 ? 57.668 8.373 9.952 1.00 97.13 ? 387 PRO A CB 1 ATOM 1210 C CG . PRO A 1 167 ? 57.406 7.339 10.993 1.00 104.40 ? 387 PRO A CG 1 ATOM 1211 C CD . PRO A 1 167 ? 58.713 6.971 11.623 1.00 109.01 ? 387 PRO A CD 1 ATOM 1212 N N . GLU A 1 168 ? 60.251 10.485 9.188 1.00 101.34 ? 388 GLU A N 1 ATOM 1213 C CA . GLU A 1 168 ? 60.801 11.796 9.484 1.00 92.48 ? 388 GLU A CA 1 ATOM 1214 C C . GLU A 1 168 ? 59.726 12.817 9.856 1.00 96.19 ? 388 GLU A C 1 ATOM 1215 O O . GLU A 1 168 ? 58.550 12.482 9.912 1.00 98.38 ? 388 GLU A O 1 ATOM 1216 C CB . GLU A 1 168 ? 61.684 12.265 8.346 1.00 89.52 ? 388 GLU A CB 1 ATOM 1217 C CG . GLU A 1 168 ? 63.123 11.810 8.488 1.00 93.30 ? 388 GLU A CG 1 ATOM 1218 C CD . GLU A 1 168 ? 63.890 12.515 9.616 1.00 100.88 ? 388 GLU A CD 1 ATOM 1219 O OE1 . GLU A 1 168 ? 63.569 13.656 10.022 1.00 95.28 ? 388 GLU A OE1 1 ATOM 1220 O OE2 . GLU A 1 168 ? 64.853 11.911 10.119 1.00 116.38 -1 388 GLU A OE2 1 ATOM 1221 N N . ASN A 1 169 ? 60.146 14.050 10.141 1.00 106.81 ? 389 ASN A N 1 ATOM 1222 C CA . ASN A 1 169 ? 59.314 15.052 10.825 1.00 113.74 ? 389 ASN A CA 1 ATOM 1223 C C . ASN A 1 169 ? 59.237 16.359 10.069 1.00 115.88 ? 389 ASN A C 1 ATOM 1224 O O . ASN A 1 169 ? 58.186 16.743 9.541 1.00 115.53 ? 389 ASN A O 1 ATOM 1225 C CB . ASN A 1 169 ? 59.888 15.349 12.223 1.00 125.90 ? 389 ASN A CB 1 ATOM 1226 C CG . ASN A 1 169 ? 58.980 14.889 13.342 1.00 129.74 ? 389 ASN A CG 1 ATOM 1227 O OD1 . ASN A 1 169 ? 57.897 14.349 13.100 1.00 126.32 ? 389 ASN A OD1 1 ATOM 1228 N ND2 . ASN A 1 169 ? 59.412 15.112 14.579 1.00 128.03 ? 389 ASN A ND2 1 ATOM 1229 N N . ASN A 1 170 ? 60.367 17.054 10.047 1.00 114.66 ? 390 ASN A N 1 ATOM 1230 C CA . ASN A 1 170 ? 60.467 18.285 9.315 1.00 113.84 ? 390 ASN A CA 1 ATOM 1231 C C . ASN A 1 170 ? 60.885 18.043 7.856 1.00 100.24 ? 390 ASN A C 1 ATOM 1232 O O . ASN A 1 170 ? 62.072 18.006 7.528 1.00 109.28 ? 390 ASN A O 1 ATOM 1233 C CB . ASN A 1 170 ? 61.396 19.269 10.044 1.00 126.37 ? 390 ASN A CB 1 ATOM 1234 C CG . ASN A 1 170 ? 61.300 20.698 9.495 1.00 143.95 ? 390 ASN A CG 1 ATOM 1235 O OD1 . ASN A 1 170 ? 60.502 21.010 8.593 1.00 140.36 ? 390 ASN A OD1 1 ATOM 1236 N ND2 . ASN A 1 170 ? 62.121 21.578 10.046 1.00 148.41 ? 390 ASN A ND2 1 ATOM 1237 N N . TYR A 1 171 ? 59.895 17.839 6.996 1.00 85.29 ? 391 TYR A N 1 ATOM 1238 C CA . TYR A 1 171 ? 60.079 17.919 5.545 1.00 73.17 ? 391 TYR A CA 1 ATOM 1239 C C . TYR A 1 171 ? 58.850 18.577 5.028 1.00 70.90 ? 391 TYR A C 1 ATOM 1240 O O . TYR A 1 171 ? 57.808 18.521 5.663 1.00 74.89 ? 391 TYR A O 1 ATOM 1241 C CB . TYR A 1 171 ? 60.220 16.554 4.890 1.00 70.87 ? 391 TYR A CB 1 ATOM 1242 C CG . TYR A 1 171 ? 59.028 15.653 5.083 1.00 75.77 ? 391 TYR A CG 1 ATOM 1243 C CD1 . TYR A 1 171 ? 57.970 15.648 4.170 1.00 75.86 ? 391 TYR A CD1 1 ATOM 1244 C CD2 . TYR A 1 171 ? 58.956 14.783 6.181 1.00 81.83 ? 391 TYR A CD2 1 ATOM 1245 C CE1 . TYR A 1 171 ? 56.859 14.828 4.356 1.00 77.99 ? 391 TYR A CE1 1 ATOM 1246 C CE2 . TYR A 1 171 ? 57.862 13.950 6.378 1.00 83.35 ? 391 TYR A CE2 1 ATOM 1247 C CZ . TYR A 1 171 ? 56.809 13.978 5.466 1.00 87.67 ? 391 TYR A CZ 1 ATOM 1248 O OH . TYR A 1 171 ? 55.713 13.145 5.652 1.00 91.47 ? 391 TYR A OH 1 ATOM 1249 N N . LYS A 1 172 ? 58.960 19.222 3.880 1.00 73.84 ? 392 LYS A N 1 ATOM 1250 C CA . LYS A 1 172 ? 57.804 19.829 3.221 1.00 69.08 ? 392 LYS A CA 1 ATOM 1251 C C . LYS A 1 172 ? 57.872 19.472 1.729 1.00 65.82 ? 392 LYS A C 1 ATOM 1252 O O . LYS A 1 172 ? 58.972 19.189 1.215 1.00 62.85 ? 392 LYS A O 1 ATOM 1253 C CB . LYS A 1 172 ? 57.834 21.328 3.472 1.00 68.57 ? 392 LYS A CB 1 ATOM 1254 C CG . LYS A 1 172 ? 57.566 21.726 4.916 1.00 66.43 ? 392 LYS A CG 1 ATOM 1255 C CD . LYS A 1 172 ? 56.127 22.211 5.056 1.00 71.32 ? 392 LYS A CD 1 ATOM 1256 C CE . LYS A 1 172 ? 55.614 22.325 6.491 1.00 82.58 ? 392 LYS A CE 1 ATOM 1257 N NZ . LYS A 1 172 ? 56.630 22.508 7.578 1.00 89.01 ? 392 LYS A NZ 1 ATOM 1258 N N . THR A 1 173 ? 56.715 19.422 1.067 1.00 61.28 ? 393 THR A N 1 ATOM 1259 C CA . THR A 1 173 ? 56.637 19.030 -0.351 1.00 60.64 ? 393 THR A CA 1 ATOM 1260 C C . THR A 1 173 ? 55.835 19.997 -1.265 1.00 64.24 ? 393 THR A C 1 ATOM 1261 O O . THR A 1 173 ? 54.803 20.577 -0.856 1.00 66.53 ? 393 THR A O 1 ATOM 1262 C CB . THR A 1 173 ? 56.101 17.603 -0.485 1.00 62.18 ? 393 THR A CB 1 ATOM 1263 O OG1 . THR A 1 173 ? 56.966 16.705 0.229 1.00 64.44 ? 393 THR A OG1 1 ATOM 1264 C CG2 . THR A 1 173 ? 56.046 17.144 -1.978 1.00 60.87 ? 393 THR A CG2 1 ATOM 1265 N N . THR A 1 174 ? 56.322 20.199 -2.490 1.00 60.79 ? 394 THR A N 1 ATOM 1266 C CA . THR A 1 174 ? 55.683 21.159 -3.400 1.00 63.81 ? 394 THR A CA 1 ATOM 1267 C C . THR A 1 174 ? 54.481 20.453 -3.962 1.00 61.72 ? 394 THR A C 1 ATOM 1268 O O . THR A 1 174 ? 54.468 19.217 -3.948 1.00 59.58 ? 394 THR A O 1 ATOM 1269 C CB . THR A 1 174 ? 56.622 21.612 -4.535 1.00 65.89 ? 394 THR A CB 1 ATOM 1270 O OG1 . THR A 1 174 ? 56.869 20.527 -5.478 1.00 63.98 ? 394 THR A OG1 1 ATOM 1271 C CG2 . THR A 1 174 ? 57.952 22.131 -3.924 1.00 60.54 ? 394 THR A CG2 1 ATOM 1272 N N . PRO A 1 175 ? 53.458 21.202 -4.449 1.00 62.12 ? 395 PRO A N 1 ATOM 1273 C CA . PRO A 1 175 ? 52.408 20.377 -5.076 1.00 59.23 ? 395 PRO A CA 1 ATOM 1274 C C . PRO A 1 175 ? 52.912 19.805 -6.379 1.00 61.05 ? 395 PRO A C 1 ATOM 1275 O O . PRO A 1 175 ? 54.017 20.132 -6.811 1.00 62.58 ? 395 PRO A O 1 ATOM 1276 C CB . PRO A 1 175 ? 51.240 21.344 -5.277 1.00 54.87 ? 395 PRO A CB 1 ATOM 1277 C CG . PRO A 1 175 ? 51.577 22.588 -4.529 1.00 54.96 ? 395 PRO A CG 1 ATOM 1278 C CD . PRO A 1 175 ? 53.077 22.622 -4.379 1.00 58.32 ? 395 PRO A CD 1 ATOM 1279 N N . PRO A 1 176 ? 52.143 18.910 -6.997 1.00 65.79 ? 396 PRO A N 1 ATOM 1280 C CA . PRO A 1 176 ? 52.639 18.500 -8.307 1.00 61.32 ? 396 PRO A CA 1 ATOM 1281 C C . PRO A 1 176 ? 52.620 19.708 -9.230 1.00 60.76 ? 396 PRO A C 1 ATOM 1282 O O . PRO A 1 176 ? 51.850 20.636 -9.025 1.00 56.01 ? 396 PRO A O 1 ATOM 1283 C CB . PRO A 1 176 ? 51.610 17.462 -8.749 1.00 66.28 ? 396 PRO A CB 1 ATOM 1284 C CG . PRO A 1 176 ? 50.999 16.932 -7.489 1.00 63.84 ? 396 PRO A CG 1 ATOM 1285 C CD . PRO A 1 176 ? 50.961 18.138 -6.570 1.00 65.96 ? 396 PRO A CD 1 ATOM 1286 N N . VAL A 1 177 ? 53.510 19.727 -10.206 1.00 64.26 ? 397 VAL A N 1 ATOM 1287 C CA . VAL A 1 177 ? 53.492 20.773 -11.227 1.00 64.16 ? 397 VAL A CA 1 ATOM 1288 C C . VAL A 1 177 ? 53.391 20.128 -12.617 1.00 67.64 ? 397 VAL A C 1 ATOM 1289 O O . VAL A 1 177 ? 53.991 19.068 -12.851 1.00 73.06 ? 397 VAL A O 1 ATOM 1290 C CB . VAL A 1 177 ? 54.743 21.654 -11.117 1.00 64.86 ? 397 VAL A CB 1 ATOM 1291 C CG1 . VAL A 1 177 ? 54.829 22.654 -12.279 1.00 63.96 ? 397 VAL A CG1 1 ATOM 1292 C CG2 . VAL A 1 177 ? 54.759 22.346 -9.760 1.00 57.93 ? 397 VAL A CG2 1 ATOM 1293 N N . LEU A 1 178 ? 52.610 20.733 -13.511 1.00 63.55 ? 398 LEU A N 1 ATOM 1294 C CA . LEU A 1 178 ? 52.445 20.190 -14.847 1.00 60.93 ? 398 LEU A CA 1 ATOM 1295 C C . LEU A 1 178 ? 53.696 20.441 -15.621 1.00 66.53 ? 398 LEU A C 1 ATOM 1296 O O . LEU A 1 178 ? 54.092 21.594 -15.817 1.00 70.62 ? 398 LEU A O 1 ATOM 1297 C CB . LEU A 1 178 ? 51.308 20.900 -15.568 1.00 61.72 ? 398 LEU A CB 1 ATOM 1298 C CG . LEU A 1 178 ? 50.812 20.390 -16.926 1.00 59.58 ? 398 LEU A CG 1 ATOM 1299 C CD1 . LEU A 1 178 ? 50.656 18.871 -16.916 1.00 57.51 ? 398 LEU A CD1 1 ATOM 1300 C CD2 . LEU A 1 178 ? 49.493 21.041 -17.233 1.00 53.76 ? 398 LEU A CD2 1 ATOM 1301 N N . ASP A 1 179 ? 54.314 19.365 -16.075 1.00 68.08 ? 399 ASP A N 1 ATOM 1302 C CA . ASP A 1 179 ? 55.516 19.460 -16.890 1.00 75.88 ? 399 ASP A CA 1 ATOM 1303 C C . ASP A 1 179 ? 55.143 19.616 -18.413 1.00 82.11 ? 399 ASP A C 1 ATOM 1304 O O . ASP A 1 179 ? 53.973 19.495 -18.801 1.00 82.35 ? 399 ASP A O 1 ATOM 1305 C CB . ASP A 1 179 ? 56.425 18.250 -16.593 1.00 75.15 ? 399 ASP A CB 1 ATOM 1306 C CG . ASP A 1 179 ? 57.920 18.564 -16.749 1.00 85.83 ? 399 ASP A CG 1 ATOM 1307 O OD1 . ASP A 1 179 ? 58.262 19.507 -17.518 1.00 98.83 ? 399 ASP A OD1 1 ATOM 1308 O OD2 . ASP A 1 179 ? 58.763 17.850 -16.134 1.00 82.93 -1 399 ASP A OD2 1 ATOM 1309 N N . SER A 1 180 ? 56.119 19.883 -19.275 1.00 83.21 ? 400 SER A N 1 ATOM 1310 C CA . SER A 1 180 ? 55.778 20.215 -20.665 1.00 91.19 ? 400 SER A CA 1 ATOM 1311 C C . SER A 1 180 ? 55.339 19.038 -21.543 1.00 89.56 ? 400 SER A C 1 ATOM 1312 O O . SER A 1 180 ? 54.808 19.261 -22.620 1.00 87.20 ? 400 SER A O 1 ATOM 1313 C CB . SER A 1 180 ? 56.881 21.043 -21.351 1.00 91.43 ? 400 SER A CB 1 ATOM 1314 O OG . SER A 1 180 ? 58.135 20.395 -21.248 1.00 90.10 ? 400 SER A OG 1 ATOM 1315 N N . ASP A 1 181 ? 55.553 17.809 -21.072 1.00 89.41 ? 401 ASP A N 1 ATOM 1316 C CA . ASP A 1 181 ? 55.171 16.588 -21.810 1.00 89.37 ? 401 ASP A CA 1 ATOM 1317 C C . ASP A 1 181 ? 53.843 15.989 -21.293 1.00 89.87 ? 401 ASP A C 1 ATOM 1318 O O . ASP A 1 181 ? 53.504 14.838 -21.598 1.00 93.67 ? 401 ASP A O 1 ATOM 1319 C CB . ASP A 1 181 ? 56.284 15.525 -21.724 1.00 87.85 ? 401 ASP A CB 1 ATOM 1320 C CG . ASP A 1 181 ? 56.424 14.907 -20.309 1.00 91.12 ? 401 ASP A CG 1 ATOM 1321 O OD1 . ASP A 1 181 ? 55.754 15.388 -19.347 1.00 91.51 ? 401 ASP A OD1 1 ATOM 1322 O OD2 . ASP A 1 181 ? 57.201 13.930 -20.149 1.00 90.23 -1 401 ASP A OD2 1 ATOM 1323 N N . GLY A 1 182 ? 53.109 16.751 -20.485 1.00 85.21 ? 402 GLY A N 1 ATOM 1324 C CA . GLY A 1 182 ? 51.868 16.240 -19.908 1.00 82.96 ? 402 GLY A CA 1 ATOM 1325 C C . GLY A 1 182 ? 52.012 15.482 -18.582 1.00 86.25 ? 402 GLY A C 1 ATOM 1326 O O . GLY A 1 182 ? 51.020 15.311 -17.876 1.00 88.37 ? 402 GLY A O 1 ATOM 1327 N N . SER A 1 183 ? 53.219 15.018 -18.234 1.00 76.93 ? 403 SER A N 1 ATOM 1328 C CA . SER A 1 183 ? 53.436 14.437 -16.922 1.00 69.16 ? 403 SER A CA 1 ATOM 1329 C C . SER A 1 183 ? 53.616 15.510 -15.816 1.00 68.80 ? 403 SER A C 1 ATOM 1330 O O . SER A 1 183 ? 53.469 16.703 -16.086 1.00 69.85 ? 403 SER A O 1 ATOM 1331 C CB . SER A 1 183 ? 54.621 13.480 -16.969 1.00 70.94 ? 403 SER A CB 1 ATOM 1332 O OG . SER A 1 183 ? 55.839 14.159 -16.727 1.00 78.03 ? 403 SER A OG 1 ATOM 1333 N N . PHE A 1 184 ? 53.923 15.083 -14.581 1.00 66.27 ? 404 PHE A N 1 ATOM 1334 C CA . PHE A 1 184 ? 54.013 15.969 -13.416 1.00 64.72 ? 404 PHE A CA 1 ATOM 1335 C C . PHE A 1 184 ? 55.320 15.706 -12.669 1.00 68.17 ? 404 PHE A C 1 ATOM 1336 O O . PHE A 1 184 ? 55.869 14.590 -12.733 1.00 70.37 ? 404 PHE A O 1 ATOM 1337 C CB . PHE A 1 184 ? 52.845 15.722 -12.437 1.00 58.65 ? 404 PHE A CB 1 ATOM 1338 C CG . PHE A 1 184 ? 51.528 16.255 -12.902 1.00 54.85 ? 404 PHE A CG 1 ATOM 1339 C CD1 . PHE A 1 184 ? 50.666 15.464 -13.669 1.00 55.05 ? 404 PHE A CD1 1 ATOM 1340 C CD2 . PHE A 1 184 ? 51.111 17.542 -12.548 1.00 55.93 ? 404 PHE A CD2 1 ATOM 1341 C CE1 . PHE A 1 184 ? 49.426 15.968 -14.129 1.00 54.88 ? 404 PHE A CE1 1 ATOM 1342 C CE2 . PHE A 1 184 ? 49.875 18.058 -13.010 1.00 55.43 ? 404 PHE A CE2 1 ATOM 1343 C CZ . PHE A 1 184 ? 49.035 17.271 -13.799 1.00 54.21 ? 404 PHE A CZ 1 ATOM 1344 N N . PHE A 1 185 ? 55.802 16.713 -11.938 1.00 63.14 ? 405 PHE A N 1 ATOM 1345 C CA . PHE A 1 185 ? 56.916 16.497 -11.019 1.00 61.76 ? 405 PHE A CA 1 ATOM 1346 C C . PHE A 1 185 ? 56.663 17.347 -9.820 1.00 63.86 ? 405 PHE A C 1 ATOM 1347 O O . PHE A 1 185 ? 55.893 18.316 -9.920 1.00 67.42 ? 405 PHE A O 1 ATOM 1348 C CB . PHE A 1 185 ? 58.229 16.975 -11.618 1.00 63.77 ? 405 PHE A CB 1 ATOM 1349 C CG . PHE A 1 185 ? 58.338 18.459 -11.705 1.00 60.18 ? 405 PHE A CG 1 ATOM 1350 C CD1 . PHE A 1 185 ? 57.658 19.160 -12.701 1.00 62.11 ? 405 PHE A CD1 1 ATOM 1351 C CD2 . PHE A 1 185 ? 59.110 19.164 -10.790 1.00 55.88 ? 405 PHE A CD2 1 ATOM 1352 C CE1 . PHE A 1 185 ? 57.779 20.546 -12.785 1.00 62.32 ? 405 PHE A CE1 1 ATOM 1353 C CE2 . PHE A 1 185 ? 59.233 20.543 -10.857 1.00 56.09 ? 405 PHE A CE2 1 ATOM 1354 C CZ . PHE A 1 185 ? 58.559 21.235 -11.853 1.00 61.42 ? 405 PHE A CZ 1 ATOM 1355 N N . LEU A 1 186 ? 57.311 16.988 -8.707 1.00 59.64 ? 406 LEU A N 1 ATOM 1356 C CA . LEU A 1 186 ? 57.386 17.849 -7.528 1.00 62.74 ? 406 LEU A CA 1 ATOM 1357 C C . LEU A 1 186 ? 58.753 17.647 -6.890 1.00 66.89 ? 406 LEU A C 1 ATOM 1358 O O . LEU A 1 186 ? 59.537 16.824 -7.387 1.00 64.85 ? 406 LEU A O 1 ATOM 1359 C CB . LEU A 1 186 ? 56.285 17.474 -6.527 1.00 61.02 ? 406 LEU A CB 1 ATOM 1360 C CG . LEU A 1 186 ? 56.132 15.983 -6.191 1.00 58.57 ? 406 LEU A CG 1 ATOM 1361 C CD1 . LEU A 1 186 ? 57.249 15.567 -5.242 1.00 59.66 ? 406 LEU A CD1 1 ATOM 1362 C CD2 . LEU A 1 186 ? 54.765 15.643 -5.589 1.00 52.48 ? 406 LEU A CD2 1 ATOM 1363 N N . TYR A 1 187 ? 59.030 18.373 -5.799 1.00 69.10 ? 407 TYR A N 1 ATOM 1364 C CA . TYR A 1 187 ? 60.187 18.109 -4.943 1.00 70.76 ? 407 TYR A CA 1 ATOM 1365 C C . TYR A 1 187 ? 59.761 18.055 -3.476 1.00 78.09 ? 407 TYR A C 1 ATOM 1366 O O . TYR A 1 187 ? 58.811 18.737 -3.067 1.00 77.17 ? 407 TYR A O 1 ATOM 1367 C CB . TYR A 1 187 ? 61.206 19.224 -5.047 1.00 77.98 ? 407 TYR A CB 1 ATOM 1368 C CG . TYR A 1 187 ? 61.994 19.361 -6.347 1.00 83.42 ? 407 TYR A CG 1 ATOM 1369 C CD1 . TYR A 1 187 ? 63.364 19.139 -6.370 1.00 87.66 ? 407 TYR A CD1 1 ATOM 1370 C CD2 . TYR A 1 187 ? 61.386 19.783 -7.531 1.00 79.47 ? 407 TYR A CD2 1 ATOM 1371 C CE1 . TYR A 1 187 ? 64.098 19.297 -7.547 1.00 98.54 ? 407 TYR A CE1 1 ATOM 1372 C CE2 . TYR A 1 187 ? 62.104 19.937 -8.715 1.00 80.78 ? 407 TYR A CE2 1 ATOM 1373 C CZ . TYR A 1 187 ? 63.461 19.704 -8.729 1.00 89.21 ? 407 TYR A CZ 1 ATOM 1374 O OH . TYR A 1 187 ? 64.198 19.863 -9.883 1.00 79.74 ? 407 TYR A OH 1 ATOM 1375 N N . SER A 1 188 ? 60.480 17.262 -2.674 1.00 81.28 ? 408 SER A N 1 ATOM 1376 C CA . SER A 1 188 ? 60.293 17.255 -1.237 1.00 73.06 ? 408 SER A CA 1 ATOM 1377 C C . SER A 1 188 ? 61.583 17.665 -0.544 1.00 72.17 ? 408 SER A C 1 ATOM 1378 O O . SER A 1 188 ? 62.650 17.203 -0.906 1.00 76.07 ? 408 SER A O 1 ATOM 1379 C CB . SER A 1 188 ? 59.821 15.883 -0.755 1.00 75.59 ? 408 SER A CB 1 ATOM 1380 O OG . SER A 1 188 ? 59.479 15.921 0.640 1.00 70.66 ? 408 SER A OG 1 ATOM 1381 N N . LYS A 1 189 ? 61.480 18.545 0.446 1.00 75.19 ? 409 LYS A N 1 ATOM 1382 C CA . LYS A 1 189 ? 62.667 19.081 1.134 1.00 79.47 ? 409 LYS A CA 1 ATOM 1383 C C . LYS A 1 189 ? 62.694 18.630 2.587 1.00 77.82 ? 409 LYS A C 1 ATOM 1384 O O . LYS A 1 189 ? 61.695 18.704 3.274 1.00 81.87 ? 409 LYS A O 1 ATOM 1385 C CB . LYS A 1 189 ? 62.679 20.601 1.078 1.00 73.45 ? 409 LYS A CB 1 ATOM 1386 C CG . LYS A 1 189 ? 63.941 21.236 1.652 1.00 82.19 ? 409 LYS A CG 1 ATOM 1387 C CD . LYS A 1 189 ? 63.804 22.762 1.814 1.00 79.09 ? 409 LYS A CD 1 ATOM 1388 C CE . LYS A 1 189 ? 63.257 23.103 3.197 1.00 84.69 ? 409 LYS A CE 1 ATOM 1389 N NZ . LYS A 1 189 ? 62.402 24.308 3.157 1.00 81.63 ? 409 LYS A NZ 1 ATOM 1390 N N . LEU A 1 190 ? 63.831 18.145 3.048 1.00 80.04 ? 410 LEU A N 1 ATOM 1391 C CA . LEU A 1 190 ? 63.910 17.645 4.408 1.00 79.04 ? 410 LEU A CA 1 ATOM 1392 C C . LEU A 1 190 ? 65.103 18.240 5.097 1.00 83.86 ? 410 LEU A C 1 ATOM 1393 O O . LEU A 1 190 ? 66.224 18.187 4.593 1.00 83.02 ? 410 LEU A O 1 ATOM 1394 C CB . LEU A 1 190 ? 63.965 16.121 4.435 1.00 76.67 ? 410 LEU A CB 1 ATOM 1395 C CG . LEU A 1 190 ? 64.563 15.416 5.662 1.00 79.93 ? 410 LEU A CG 1 ATOM 1396 C CD1 . LEU A 1 190 ? 63.649 15.537 6.879 1.00 80.36 ? 410 LEU A CD1 1 ATOM 1397 C CD2 . LEU A 1 190 ? 64.898 13.953 5.370 1.00 72.61 ? 410 LEU A CD2 1 ATOM 1398 N N . THR A 1 191 ? 64.827 18.821 6.259 1.00 95.82 ? 411 THR A N 1 ATOM 1399 C CA . THR A 1 191 ? 65.827 19.481 7.100 1.00 102.45 ? 411 THR A CA 1 ATOM 1400 C C . THR A 1 191 ? 66.273 18.605 8.257 1.00 106.62 ? 411 THR A C 1 ATOM 1401 O O . THR A 1 191 ? 65.438 18.103 9.018 1.00 115.33 ? 411 THR A O 1 ATOM 1402 C CB . THR A 1 191 ? 65.243 20.763 7.691 1.00 99.01 ? 411 THR A CB 1 ATOM 1403 O OG1 . THR A 1 191 ? 65.009 21.685 6.625 1.00 101.69 ? 411 THR A OG1 1 ATOM 1404 C CG2 . THR A 1 191 ? 66.191 21.384 8.724 1.00 104.75 ? 411 THR A CG2 1 ATOM 1405 N N . VAL A 1 192 ? 67.587 18.433 8.380 1.00 108.97 ? 412 VAL A N 1 ATOM 1406 C CA . VAL A 1 192 ? 68.197 17.773 9.542 1.00 115.10 ? 412 VAL A CA 1 ATOM 1407 C C . VAL A 1 192 ? 69.412 18.576 9.991 1.00 112.56 ? 412 VAL A C 1 ATOM 1408 O O . VAL A 1 192 ? 69.872 19.439 9.254 1.00 109.25 ? 412 VAL A O 1 ATOM 1409 C CB . VAL A 1 192 ? 68.609 16.318 9.227 1.00 118.48 ? 412 VAL A CB 1 ATOM 1410 C CG1 . VAL A 1 192 ? 67.389 15.406 9.203 1.00 114.89 ? 412 VAL A CG1 1 ATOM 1411 C CG2 . VAL A 1 192 ? 69.373 16.243 7.908 1.00 117.11 ? 412 VAL A CG2 1 ATOM 1412 N N . ASP A 1 193 ? 69.921 18.290 11.187 1.00 120.64 ? 413 ASP A N 1 ATOM 1413 C CA . ASP A 1 193 ? 71.134 18.941 11.718 1.00 127.85 ? 413 ASP A CA 1 ATOM 1414 C C . ASP A 1 193 ? 72.317 18.579 10.854 1.00 128.70 ? 413 ASP A C 1 ATOM 1415 O O . ASP A 1 193 ? 72.377 17.480 10.301 1.00 128.24 ? 413 ASP A O 1 ATOM 1416 C CB . ASP A 1 193 ? 71.445 18.473 13.143 1.00 132.96 ? 413 ASP A CB 1 ATOM 1417 C CG . ASP A 1 193 ? 70.205 18.359 14.018 1.00 138.53 ? 413 ASP A CG 1 ATOM 1418 O OD1 . ASP A 1 193 ? 69.094 18.751 13.594 1.00 141.25 ? 413 ASP A OD1 1 ATOM 1419 O OD2 . ASP A 1 193 ? 70.346 17.866 15.152 1.00 140.80 -1 413 ASP A OD2 1 ATOM 1420 N N . LYS A 1 194 ? 73.269 19.495 10.747 1.00 132.47 ? 414 LYS A N 1 ATOM 1421 C CA . LYS A 1 194 ? 74.456 19.242 9.945 1.00 133.00 ? 414 LYS A CA 1 ATOM 1422 C C . LYS A 1 194 ? 75.036 17.906 10.367 1.00 133.33 ? 414 LYS A C 1 ATOM 1423 O O . LYS A 1 194 ? 75.304 17.049 9.525 1.00 132.82 ? 414 LYS A O 1 ATOM 1424 C CB . LYS A 1 194 ? 75.489 20.367 10.109 1.00 136.80 ? 414 LYS A CB 1 ATOM 1425 C CG . LYS A 1 194 ? 76.531 20.444 8.996 1.00 139.01 ? 414 LYS A CG 1 ATOM 1426 C CD . LYS A 1 194 ? 77.192 21.817 8.931 1.00 143.76 ? 414 LYS A CD 1 ATOM 1427 C CE . LYS A 1 194 ? 78.447 21.894 9.794 1.00 154.73 ? 414 LYS A CE 1 ATOM 1428 N NZ . LYS A 1 194 ? 79.283 23.108 9.542 1.00 160.08 ? 414 LYS A NZ 1 ATOM 1429 N N . SER A 1 195 ? 75.168 17.726 11.682 1.00 139.85 ? 415 SER A N 1 ATOM 1430 C CA . SER A 1 195 ? 75.900 16.598 12.265 1.00 142.96 ? 415 SER A CA 1 ATOM 1431 C C . SER A 1 195 ? 75.264 15.269 11.897 1.00 139.84 ? 415 SER A C 1 ATOM 1432 O O . SER A 1 195 ? 75.971 14.292 11.656 1.00 144.62 ? 415 SER A O 1 ATOM 1433 C CB . SER A 1 195 ? 76.012 16.739 13.789 1.00 143.67 ? 415 SER A CB 1 ATOM 1434 O OG . SER A 1 195 ? 74.736 16.754 14.403 1.00 138.20 ? 415 SER A OG 1 ATOM 1435 N N . ARG A 1 196 ? 73.935 15.245 11.840 1.00 130.56 ? 416 ARG A N 1 ATOM 1436 C CA . ARG A 1 196 ? 73.208 14.055 11.408 1.00 126.03 ? 416 ARG A CA 1 ATOM 1437 C C . ARG A 1 196 ? 73.522 13.641 9.967 1.00 123.00 ? 416 ARG A C 1 ATOM 1438 O O . ARG A 1 196 ? 73.583 12.449 9.666 1.00 125.10 ? 416 ARG A O 1 ATOM 1439 C CB . ARG A 1 196 ? 71.701 14.235 11.587 1.00 125.93 ? 416 ARG A CB 1 ATOM 1440 C CG . ARG A 1 196 ? 71.089 13.322 12.631 1.00 119.94 ? 416 ARG A CG 1 ATOM 1441 C CD . ARG A 1 196 ? 69.629 13.665 12.847 1.00 118.97 ? 416 ARG A CD 1 ATOM 1442 N NE . ARG A 1 196 ? 68.748 12.567 12.471 1.00 121.09 ? 416 ARG A NE 1 ATOM 1443 C CZ . ARG A 1 196 ? 67.450 12.700 12.225 1.00 113.72 ? 416 ARG A CZ 1 ATOM 1444 N NH1 . ARG A 1 196 ? 66.877 13.884 12.309 1.00 115.77 ? 416 ARG A NH1 1 ATOM 1445 N NH2 . ARG A 1 196 ? 66.729 11.649 11.895 1.00 107.97 ? 416 ARG A NH2 1 ATOM 1446 N N . TRP A 1 197 ? 73.700 14.614 9.074 1.00 116.54 ? 417 TRP A N 1 ATOM 1447 C CA . TRP A 1 197 ? 74.139 14.296 7.714 1.00 114.31 ? 417 TRP A CA 1 ATOM 1448 C C . TRP A 1 197 ? 75.551 13.733 7.829 1.00 116.84 ? 417 TRP A C 1 ATOM 1449 O O . TRP A 1 197 ? 75.772 12.547 7.563 1.00 116.64 ? 417 TRP A O 1 ATOM 1450 C CB . TRP A 1 197 ? 74.042 15.521 6.765 1.00 108.73 ? 417 TRP A CB 1 ATOM 1451 C CG . TRP A 1 197 ? 74.536 15.315 5.319 1.00 108.56 ? 417 TRP A CG 1 ATOM 1452 C CD1 . TRP A 1 197 ? 75.564 15.982 4.712 1.00 117.62 ? 417 TRP A CD1 1 ATOM 1453 C CD2 . TRP A 1 197 ? 74.013 14.413 4.320 1.00 108.28 ? 417 TRP A CD2 1 ATOM 1454 N NE1 . TRP A 1 197 ? 75.724 15.553 3.410 1.00 114.74 ? 417 TRP A NE1 1 ATOM 1455 C CE2 . TRP A 1 197 ? 74.790 14.589 3.144 1.00 110.87 ? 417 TRP A CE2 1 ATOM 1456 C CE3 . TRP A 1 197 ? 72.969 13.466 4.303 1.00 106.88 ? 417 TRP A CE3 1 ATOM 1457 C CZ2 . TRP A 1 197 ? 74.558 13.856 1.963 1.00 111.71 ? 417 TRP A CZ2 1 ATOM 1458 C CZ3 . TRP A 1 197 ? 72.735 12.733 3.114 1.00 104.30 ? 417 TRP A CZ3 1 ATOM 1459 C CH2 . TRP A 1 197 ? 73.523 12.949 1.963 1.00 106.44 ? 417 TRP A CH2 1 ATOM 1460 N N . GLN A 1 198 ? 76.465 14.568 8.314 1.00 115.97 ? 418 GLN A N 1 ATOM 1461 C CA . GLN A 1 198 ? 77.875 14.250 8.351 1.00 126.01 ? 418 GLN A CA 1 ATOM 1462 C C . GLN A 1 198 ? 78.262 12.907 8.982 1.00 129.63 ? 418 GLN A C 1 ATOM 1463 O O . GLN A 1 198 ? 79.368 12.406 8.749 1.00 132.99 ? 418 GLN A O 1 ATOM 1464 C CB . GLN A 1 198 ? 78.659 15.407 8.969 1.00 129.44 ? 418 GLN A CB 1 ATOM 1465 C CG . GLN A 1 198 ? 79.626 16.014 7.973 1.00 132.15 ? 418 GLN A CG 1 ATOM 1466 C CD . GLN A 1 198 ? 79.355 17.476 7.715 1.00 133.91 ? 418 GLN A CD 1 ATOM 1467 O OE1 . GLN A 1 198 ? 80.166 18.327 8.085 1.00 132.24 ? 418 GLN A OE1 1 ATOM 1468 N NE2 . GLN A 1 198 ? 78.208 17.783 7.070 1.00 129.23 ? 418 GLN A NE2 1 ATOM 1469 N N . GLN A 1 199 ? 77.350 12.320 9.751 1.00 128.74 ? 419 GLN A N 1 ATOM 1470 C CA . GLN A 1 199 ? 77.612 11.048 10.418 1.00 129.97 ? 419 GLN A CA 1 ATOM 1471 C C . GLN A 1 199 ? 77.263 9.822 9.581 1.00 131.04 ? 419 GLN A C 1 ATOM 1472 O O . GLN A 1 199 ? 77.193 8.720 10.108 1.00 134.68 ? 419 GLN A O 1 ATOM 1473 C CB . GLN A 1 199 ? 76.898 11.009 11.759 1.00 129.09 ? 419 GLN A CB 1 ATOM 1474 C CG . GLN A 1 199 ? 77.648 11.797 12.817 1.00 143.60 ? 419 GLN A CG 1 ATOM 1475 C CD . GLN A 1 199 ? 76.789 12.180 14.006 1.00 146.99 ? 419 GLN A CD 1 ATOM 1476 O OE1 . GLN A 1 199 ? 75.667 11.688 14.157 1.00 144.73 ? 419 GLN A OE1 1 ATOM 1477 N NE2 . GLN A 1 199 ? 77.319 13.061 14.867 1.00 145.67 ? 419 GLN A NE2 1 ATOM 1478 N N . GLY A 1 200 ? 77.043 10.023 8.282 1.00 132.47 ? 420 GLY A N 1 ATOM 1479 C CA . GLY A 1 200 ? 76.823 8.931 7.328 1.00 128.64 ? 420 GLY A CA 1 ATOM 1480 C C . GLY A 1 200 ? 75.507 8.183 7.446 1.00 123.51 ? 420 GLY A C 1 ATOM 1481 O O . GLY A 1 200 ? 75.405 7.048 6.989 1.00 120.72 ? 420 GLY A O 1 ATOM 1482 N N . ASN A 1 201 ? 74.503 8.810 8.056 1.00 120.75 ? 421 ASN A N 1 ATOM 1483 C CA . ASN A 1 201 ? 73.190 8.181 8.217 1.00 123.52 ? 421 ASN A CA 1 ATOM 1484 C C . ASN A 1 201 ? 72.465 8.017 6.884 1.00 119.45 ? 421 ASN A C 1 ATOM 1485 O O . ASN A 1 201 ? 72.789 8.704 5.914 1.00 126.59 ? 421 ASN A O 1 ATOM 1486 C CB . ASN A 1 201 ? 72.304 8.996 9.161 1.00 126.28 ? 421 ASN A CB 1 ATOM 1487 C CG . ASN A 1 201 ? 72.909 9.154 10.536 1.00 134.37 ? 421 ASN A CG 1 ATOM 1488 O OD1 . ASN A 1 201 ? 72.821 8.257 11.382 1.00 141.64 ? 421 ASN A OD1 1 ATOM 1489 N ND2 . ASN A 1 201 ? 73.526 10.301 10.768 1.00 134.33 ? 421 ASN A ND2 1 ATOM 1490 N N . VAL A 1 202 ? 71.489 7.111 6.846 1.00 110.29 ? 422 VAL A N 1 ATOM 1491 C CA . VAL A 1 202 ? 70.704 6.878 5.643 1.00 104.25 ? 422 VAL A CA 1 ATOM 1492 C C . VAL A 1 202 ? 69.320 7.482 5.717 1.00 102.74 ? 422 VAL A C 1 ATOM 1493 O O . VAL A 1 202 ? 68.501 7.184 6.605 1.00 98.32 ? 422 VAL A O 1 ATOM 1494 C CB . VAL A 1 202 ? 70.572 5.398 5.272 1.00 104.42 ? 422 VAL A CB 1 ATOM 1495 C CG1 . VAL A 1 202 ? 69.130 5.069 4.887 1.00 99.63 ? 422 VAL A CG1 1 ATOM 1496 C CG2 . VAL A 1 202 ? 71.538 5.064 4.145 1.00 107.21 ? 422 VAL A CG2 1 ATOM 1497 N N . PHE A 1 203 ? 69.065 8.320 4.731 1.00 101.88 ? 423 PHE A N 1 ATOM 1498 C CA . PHE A 1 203 ? 67.773 8.898 4.608 1.00 95.13 ? 423 PHE A CA 1 ATOM 1499 C C . PHE A 1 203 ? 67.123 8.324 3.383 1.00 92.98 ? 423 PHE A C 1 ATOM 1500 O O . PHE A 1 203 ? 67.815 7.913 2.448 1.00 93.42 ? 423 PHE A O 1 ATOM 1501 C CB . PHE A 1 203 ? 67.907 10.395 4.593 1.00 89.30 ? 423 PHE A CB 1 ATOM 1502 C CG . PHE A 1 203 ? 68.335 10.945 5.920 1.00 92.48 ? 423 PHE A CG 1 ATOM 1503 C CD1 . PHE A 1 203 ? 69.690 11.080 6.231 1.00 91.12 ? 423 PHE A CD1 1 ATOM 1504 C CD2 . PHE A 1 203 ? 67.378 11.301 6.885 1.00 90.65 ? 423 PHE A CD2 1 ATOM 1505 C CE1 . PHE A 1 203 ? 70.075 11.597 7.457 1.00 92.85 ? 423 PHE A CE1 1 ATOM 1506 C CE2 . PHE A 1 203 ? 67.768 11.815 8.121 1.00 93.44 ? 423 PHE A CE2 1 ATOM 1507 C CZ . PHE A 1 203 ? 69.118 11.955 8.408 1.00 93.21 ? 423 PHE A CZ 1 ATOM 1508 N N . SER A 1 204 ? 65.795 8.244 3.441 1.00 90.02 ? 424 SER A N 1 ATOM 1509 C CA . SER A 1 204 ? 64.994 7.570 2.443 1.00 85.81 ? 424 SER A CA 1 ATOM 1510 C C . SER A 1 204 ? 63.767 8.368 2.096 1.00 83.96 ? 424 SER A C 1 ATOM 1511 O O . SER A 1 204 ? 63.007 8.806 2.972 1.00 83.05 ? 424 SER A O 1 ATOM 1512 C CB . SER A 1 204 ? 64.565 6.197 2.939 1.00 94.72 ? 424 SER A CB 1 ATOM 1513 O OG . SER A 1 204 ? 65.433 5.188 2.458 1.00 99.91 ? 424 SER A OG 1 ATOM 1514 N N . CYS A 1 205 ? 63.594 8.526 0.790 1.00 84.46 ? 425 CYS A N 1 ATOM 1515 C CA . CYS A 1 205 ? 62.463 9.188 0.175 1.00 79.57 ? 425 CYS A CA 1 ATOM 1516 C C . CYS A 1 205 ? 61.497 8.133 -0.357 1.00 78.01 ? 425 CYS A C 1 ATOM 1517 O O . CYS A 1 205 ? 61.871 7.338 -1.218 1.00 78.72 ? 425 CYS A O 1 ATOM 1518 C CB . CYS A 1 205 ? 62.972 10.047 -0.973 1.00 76.38 ? 425 CYS A CB 1 ATOM 1519 S SG . CYS A 1 205 ? 61.654 11.032 -1.665 1.00 82.07 ? 425 CYS A SG 1 ATOM 1520 N N . SER A 1 206 ? 60.269 8.119 0.166 1.00 80.47 ? 426 SER A N 1 ATOM 1521 C CA . SER A 1 206 ? 59.234 7.139 -0.226 1.00 76.95 ? 426 SER A CA 1 ATOM 1522 C C . SER A 1 206 ? 58.204 7.773 -1.116 1.00 76.99 ? 426 SER A C 1 ATOM 1523 O O . SER A 1 206 ? 57.736 8.893 -0.845 1.00 80.73 ? 426 SER A O 1 ATOM 1524 C CB . SER A 1 206 ? 58.479 6.623 0.988 1.00 76.27 ? 426 SER A CB 1 ATOM 1525 O OG . SER A 1 206 ? 59.399 6.224 1.966 1.00 88.42 ? 426 SER A OG 1 ATOM 1526 N N . VAL A 1 207 ? 57.808 7.047 -2.154 1.00 71.85 ? 427 VAL A N 1 ATOM 1527 C CA . VAL A 1 207 ? 56.789 7.547 -3.049 1.00 68.40 ? 427 VAL A CA 1 ATOM 1528 C C . VAL A 1 207 ? 55.731 6.510 -3.303 1.00 68.70 ? 427 VAL A C 1 ATOM 1529 O O . VAL A 1 207 ? 56.026 5.409 -3.744 1.00 71.60 ? 427 VAL A O 1 ATOM 1530 C CB . VAL A 1 207 ? 57.400 7.971 -4.385 1.00 70.48 ? 427 VAL A CB 1 ATOM 1531 C CG1 . VAL A 1 207 ? 56.290 8.376 -5.338 1.00 72.23 ? 427 VAL A CG1 1 ATOM 1532 C CG2 . VAL A 1 207 ? 58.379 9.117 -4.177 1.00 65.96 ? 427 VAL A CG2 1 ATOM 1533 N N . MET A 1 208 ? 54.494 6.862 -2.997 1.00 70.85 ? 428 MET A N 1 ATOM 1534 C CA . MET A 1 208 ? 53.369 5.994 -3.254 1.00 71.52 ? 428 MET A CA 1 ATOM 1535 C C . MET A 1 208 ? 52.647 6.609 -4.445 1.00 68.66 ? 428 MET A C 1 ATOM 1536 O O . MET A 1 208 ? 52.340 7.810 -4.424 1.00 64.37 ? 428 MET A O 1 ATOM 1537 C CB . MET A 1 208 ? 52.419 5.989 -2.062 1.00 74.11 ? 428 MET A CB 1 ATOM 1538 C CG . MET A 1 208 ? 52.682 5.009 -0.913 1.00 83.99 ? 428 MET A CG 1 ATOM 1539 S SD . MET A 1 208 ? 51.718 5.369 0.622 1.00 84.16 ? 428 MET A SD 1 ATOM 1540 C CE . MET A 1 208 ? 52.526 6.873 1.206 0.50 73.76 ? 428 MET A CE 1 ATOM 1541 N N . HIS A 1 209 ? 52.381 5.802 -5.472 1.00 67.82 ? 429 HIS A N 1 ATOM 1542 C CA . HIS A 1 209 ? 51.713 6.274 -6.681 1.00 65.93 ? 429 HIS A CA 1 ATOM 1543 C C . HIS A 1 209 ? 51.073 5.106 -7.442 1.00 72.47 ? 429 HIS A C 1 ATOM 1544 O O . HIS A 1 209 ? 51.649 4.005 -7.488 1.00 76.86 ? 429 HIS A O 1 ATOM 1545 C CB . HIS A 1 209 ? 52.696 7.009 -7.569 1.00 59.17 ? 429 HIS A CB 1 ATOM 1546 C CG . HIS A 1 209 ? 52.071 7.555 -8.803 1.00 65.31 ? 429 HIS A CG 1 ATOM 1547 N ND1 . HIS A 1 209 ? 51.758 6.761 -9.894 1.00 66.09 ? 429 HIS A ND1 1 ATOM 1548 C CD2 . HIS A 1 209 ? 51.648 8.806 -9.109 1.00 63.33 ? 429 HIS A CD2 1 ATOM 1549 C CE1 . HIS A 1 209 ? 51.190 7.506 -10.825 1.00 65.02 ? 429 HIS A CE1 1 ATOM 1550 N NE2 . HIS A 1 209 ? 51.105 8.750 -10.372 1.00 64.11 ? 429 HIS A NE2 1 ATOM 1551 N N . GLU A 1 210 ? 49.896 5.319 -8.039 1.00 68.41 ? 430 GLU A N 1 ATOM 1552 C CA . GLU A 1 210 ? 49.160 4.159 -8.596 1.00 68.57 ? 430 GLU A CA 1 ATOM 1553 C C . GLU A 1 210 ? 49.955 3.357 -9.597 1.00 65.27 ? 430 GLU A C 1 ATOM 1554 O O . GLU A 1 210 ? 49.712 2.198 -9.747 1.00 70.14 ? 430 GLU A O 1 ATOM 1555 C CB . GLU A 1 210 ? 47.774 4.495 -9.200 1.00 68.82 ? 430 GLU A CB 1 ATOM 1556 C CG . GLU A 1 210 ? 47.809 5.427 -10.405 1.00 75.97 ? 430 GLU A CG 1 ATOM 1557 C CD . GLU A 1 210 ? 46.690 5.183 -11.401 1.00 80.51 ? 430 GLU A CD 1 ATOM 1558 O OE1 . GLU A 1 210 ? 45.832 6.100 -11.518 1.00 79.56 ? 430 GLU A OE1 1 ATOM 1559 O OE2 . GLU A 1 210 ? 46.672 4.093 -12.066 1.00 82.09 -1 430 GLU A OE2 1 ATOM 1560 N N . ALA A 1 211 ? 50.903 3.955 -10.294 1.00 68.47 ? 431 ALA A N 1 ATOM 1561 C CA . ALA A 1 211 ? 51.478 3.213 -11.429 1.00 72.08 ? 431 ALA A CA 1 ATOM 1562 C C . ALA A 1 211 ? 52.712 2.457 -11.059 1.00 70.35 ? 431 ALA A C 1 ATOM 1563 O O . ALA A 1 211 ? 53.168 1.695 -11.844 1.00 72.73 ? 431 ALA A O 1 ATOM 1564 C CB . ALA A 1 211 ? 51.740 4.094 -12.623 1.00 64.87 ? 431 ALA A CB 1 ATOM 1565 N N . LEU A 1 212 ? 53.244 2.668 -9.865 1.00 72.59 ? 432 LEU A N 1 ATOM 1566 C CA . LEU A 1 212 ? 54.371 1.874 -9.376 1.00 73.59 ? 432 LEU A CA 1 ATOM 1567 C C . LEU A 1 212 ? 53.932 0.475 -8.887 1.00 79.19 ? 432 LEU A C 1 ATOM 1568 O O . LEU A 1 212 ? 52.811 0.285 -8.400 1.00 76.91 ? 432 LEU A O 1 ATOM 1569 C CB . LEU A 1 212 ? 55.040 2.566 -8.215 1.00 71.37 ? 432 LEU A CB 1 ATOM 1570 C CG . LEU A 1 212 ? 55.626 3.941 -8.357 1.00 68.93 ? 432 LEU A CG 1 ATOM 1571 C CD1 . LEU A 1 212 ? 55.734 4.555 -6.976 1.00 67.08 ? 432 LEU A CD1 1 ATOM 1572 C CD2 . LEU A 1 212 ? 56.990 3.787 -8.963 1.00 69.27 ? 432 LEU A CD2 1 ATOM 1573 N N . HIS A 1 213 ? 54.843 -0.491 -9.013 1.00 79.53 ? 433 HIS A N 1 ATOM 1574 C CA . HIS A 1 213 ? 54.598 -1.850 -8.586 1.00 77.86 ? 433 HIS A CA 1 ATOM 1575 C C . HIS A 1 213 ? 54.372 -1.842 -7.107 1.00 77.76 ? 433 HIS A C 1 ATOM 1576 O O . HIS A 1 213 ? 55.121 -1.182 -6.360 1.00 73.89 ? 433 HIS A O 1 ATOM 1577 C CB . HIS A 1 213 ? 55.821 -2.685 -8.888 1.00 79.09 ? 433 HIS A CB 1 ATOM 1578 C CG . HIS A 1 213 ? 55.720 -4.099 -8.433 1.00 75.85 ? 433 HIS A CG 1 ATOM 1579 N ND1 . HIS A 1 213 ? 54.695 -4.935 -8.824 1.00 79.15 ? 433 HIS A ND1 1 ATOM 1580 C CD2 . HIS A 1 213 ? 56.550 -4.847 -7.675 1.00 77.37 ? 433 HIS A CD2 1 ATOM 1581 C CE1 . HIS A 1 213 ? 54.892 -6.144 -8.320 1.00 81.46 ? 433 HIS A CE1 1 ATOM 1582 N NE2 . HIS A 1 213 ? 56.015 -6.119 -7.625 1.00 83.41 ? 433 HIS A NE2 1 ATOM 1583 N N . ASN A 1 214 ? 53.344 -2.573 -6.677 1.00 80.93 ? 434 ASN A N 1 ATOM 1584 C CA . ASN A 1 214 ? 52.923 -2.492 -5.293 1.00 83.53 ? 434 ASN A CA 1 ATOM 1585 C C . ASN A 1 214 ? 52.636 -1.031 -4.871 1.00 83.56 ? 434 ASN A C 1 ATOM 1586 O O . ASN A 1 214 ? 52.704 -0.739 -3.690 1.00 84.87 ? 434 ASN A O 1 ATOM 1587 C CB . ASN A 1 214 ? 54.040 -3.016 -4.377 1.00 85.13 ? 434 ASN A CB 1 ATOM 1588 C CG . ASN A 1 214 ? 54.149 -4.526 -4.364 1.00 88.98 ? 434 ASN A CG 1 ATOM 1589 O OD1 . ASN A 1 214 ? 53.219 -5.242 -4.740 1.00 89.83 ? 434 ASN A OD1 1 ATOM 1590 N ND2 . ASN A 1 214 ? 55.294 -5.023 -3.900 1.00 91.45 ? 434 ASN A ND2 1 ATOM 1591 N N . HIS A 1 215 ? 52.376 -0.115 -5.818 1.00 78.99 ? 435 HIS A N 1 ATOM 1592 C CA . HIS A 1 215 ? 51.991 1.282 -5.505 1.00 75.85 ? 435 HIS A CA 1 ATOM 1593 C C . HIS A 1 215 ? 53.032 1.987 -4.602 1.00 73.40 ? 435 HIS A C 1 ATOM 1594 O O . HIS A 1 215 ? 52.765 3.019 -3.975 1.00 68.34 ? 435 HIS A O 1 ATOM 1595 C CB . HIS A 1 215 ? 50.539 1.339 -4.971 1.00 75.17 ? 435 HIS A CB 1 ATOM 1596 C CG . HIS A 1 215 ? 49.649 0.347 -5.654 1.00 85.38 ? 435 HIS A CG 1 ATOM 1597 N ND1 . HIS A 1 215 ? 49.107 0.567 -6.908 1.00 83.70 ? 435 HIS A ND1 1 ATOM 1598 C CD2 . HIS A 1 215 ? 49.286 -0.915 -5.303 1.00 92.59 ? 435 HIS A CD2 1 ATOM 1599 C CE1 . HIS A 1 215 ? 48.419 -0.500 -7.281 1.00 93.23 ? 435 HIS A CE1 1 ATOM 1600 N NE2 . HIS A 1 215 ? 48.502 -1.411 -6.319 1.00 98.70 ? 435 HIS A NE2 1 ATOM 1601 N N . TYR A 1 216 ? 54.247 1.449 -4.591 1.00 71.77 ? 436 TYR A N 1 ATOM 1602 C CA . TYR A 1 216 ? 55.265 1.981 -3.706 1.00 73.85 ? 436 TYR A CA 1 ATOM 1603 C C . TYR A 1 216 ? 56.714 1.787 -4.208 1.00 72.28 ? 436 TYR A C 1 ATOM 1604 O O . TYR A 1 216 ? 57.051 0.734 -4.750 1.00 82.26 ? 436 TYR A O 1 ATOM 1605 C CB . TYR A 1 216 ? 55.066 1.376 -2.306 1.00 76.88 ? 436 TYR A CB 1 ATOM 1606 C CG . TYR A 1 216 ? 56.192 1.689 -1.376 1.00 82.63 ? 436 TYR A CG 1 ATOM 1607 C CD1 . TYR A 1 216 ? 57.400 1.017 -1.513 1.00 85.66 ? 436 TYR A CD1 1 ATOM 1608 C CD2 . TYR A 1 216 ? 56.078 2.668 -0.377 1.00 78.35 ? 436 TYR A CD2 1 ATOM 1609 C CE1 . TYR A 1 216 ? 58.468 1.295 -0.693 1.00 91.32 ? 436 TYR A CE1 1 ATOM 1610 C CE2 . TYR A 1 216 ? 57.154 2.963 0.446 1.00 80.19 ? 436 TYR A CE2 1 ATOM 1611 C CZ . TYR A 1 216 ? 58.347 2.255 0.285 1.00 86.05 ? 436 TYR A CZ 1 ATOM 1612 O OH . TYR A 1 216 ? 59.473 2.453 1.063 1.00 91.19 ? 436 TYR A OH 1 ATOM 1613 N N . THR A 1 217 ? 57.550 2.804 -4.018 1.00 67.06 ? 437 THR A N 1 ATOM 1614 C CA . THR A 1 217 ? 58.995 2.740 -4.320 1.00 72.25 ? 437 THR A CA 1 ATOM 1615 C C . THR A 1 217 ? 59.772 3.716 -3.430 1.00 74.55 ? 437 THR A C 1 ATOM 1616 O O . THR A 1 217 ? 59.230 4.724 -2.958 1.00 74.26 ? 437 THR A O 1 ATOM 1617 C CB . THR A 1 217 ? 59.364 3.044 -5.806 1.00 69.42 ? 437 THR A CB 1 ATOM 1618 O OG1 . THR A 1 217 ? 60.768 2.900 -5.968 1.00 69.53 ? 437 THR A OG1 1 ATOM 1619 C CG2 . THR A 1 217 ? 59.119 4.468 -6.148 1.00 68.87 ? 437 THR A CG2 1 ATOM 1620 N N . GLN A 1 218 ? 61.059 3.466 -3.262 1.00 75.77 ? 438 GLN A N 1 ATOM 1621 C CA . GLN A 1 218 ? 61.760 4.109 -2.191 1.00 79.12 ? 438 GLN A CA 1 ATOM 1622 C C . GLN A 1 218 ? 63.172 4.348 -2.688 1.00 81.63 ? 438 GLN A C 1 ATOM 1623 O O . GLN A 1 218 ? 63.714 3.458 -3.326 1.00 87.75 ? 438 GLN A O 1 ATOM 1624 C CB . GLN A 1 218 ? 61.707 3.108 -1.041 1.00 88.18 ? 438 GLN A CB 1 ATOM 1625 C CG . GLN A 1 218 ? 62.432 3.432 0.246 1.00 98.05 ? 438 GLN A CG 1 ATOM 1626 C CD . GLN A 1 218 ? 63.269 2.250 0.719 1.00 103.20 ? 438 GLN A CD 1 ATOM 1627 O OE1 . GLN A 1 218 ? 62.807 1.109 0.734 1.00 104.74 ? 438 GLN A OE1 1 ATOM 1628 N NE2 . GLN A 1 218 ? 64.521 2.519 1.072 1.00 102.19 ? 438 GLN A NE2 1 ATOM 1629 N N . LYS A 1 219 ? 63.747 5.537 -2.452 1.00 81.60 ? 439 LYS A N 1 ATOM 1630 C CA . LYS A 1 219 ? 65.189 5.812 -2.738 1.00 84.73 ? 439 LYS A CA 1 ATOM 1631 C C . LYS A 1 219 ? 65.853 6.484 -1.543 1.00 87.55 ? 439 LYS A C 1 ATOM 1632 O O . LYS A 1 219 ? 65.212 7.243 -0.812 1.00 82.53 ? 439 LYS A O 1 ATOM 1633 C CB . LYS A 1 219 ? 65.416 6.684 -3.985 1.00 86.14 ? 439 LYS A CB 1 ATOM 1634 C CG . LYS A 1 219 ? 64.960 6.127 -5.342 1.00 89.00 ? 439 LYS A CG 1 ATOM 1635 C CD . LYS A 1 219 ? 65.717 4.879 -5.794 1.00 87.51 ? 439 LYS A CD 1 ATOM 1636 C CE . LYS A 1 219 ? 65.884 4.872 -7.307 1.00 86.99 ? 439 LYS A CE 1 ATOM 1637 N NZ . LYS A 1 219 ? 66.703 6.041 -7.744 1.00 82.68 ? 439 LYS A NZ 1 ATOM 1638 N N . SER A 1 220 ? 67.145 6.212 -1.359 1.00 96.86 ? 440 SER A N 1 ATOM 1639 C CA . SER A 1 220 ? 67.870 6.563 -0.118 1.00 100.31 ? 440 SER A CA 1 ATOM 1640 C C . SER A 1 220 ? 69.155 7.329 -0.369 1.00 102.98 ? 440 SER A C 1 ATOM 1641 O O . SER A 1 220 ? 69.764 7.193 -1.436 1.00 107.43 ? 440 SER A O 1 ATOM 1642 C CB . SER A 1 220 ? 68.224 5.296 0.651 1.00 101.66 ? 440 SER A CB 1 ATOM 1643 O OG . SER A 1 220 ? 67.130 4.399 0.612 1.00 106.48 ? 440 SER A OG 1 ATOM 1644 N N . LEU A 1 221 ? 69.583 8.127 0.605 1.00 104.38 ? 441 LEU A N 1 ATOM 1645 C CA . LEU A 1 221 ? 70.914 8.709 0.493 1.00 113.26 ? 441 LEU A CA 1 ATOM 1646 C C . LEU A 1 221 ? 71.636 9.050 1.796 1.00 116.48 ? 441 LEU A C 1 ATOM 1647 O O . LEU A 1 221 ? 71.005 9.156 2.865 1.00 109.68 ? 441 LEU A O 1 ATOM 1648 C CB . LEU A 1 221 ? 70.957 9.856 -0.540 1.00 107.48 ? 441 LEU A CB 1 ATOM 1649 C CG . LEU A 1 221 ? 70.761 11.330 -0.248 1.00 102.26 ? 441 LEU A CG 1 ATOM 1650 C CD1 . LEU A 1 221 ? 70.915 12.028 -1.580 1.00 102.11 ? 441 LEU A CD1 1 ATOM 1651 C CD2 . LEU A 1 221 ? 69.405 11.627 0.350 1.00 97.92 ? 441 LEU A CD2 1 ATOM 1652 N N . SER A 1 222 ? 72.965 9.185 1.649 1.00 117.62 ? 442 SER A N 1 ATOM 1653 C CA . SER A 1 222 ? 73.940 9.471 2.708 1.00 117.93 ? 442 SER A CA 1 ATOM 1654 C C . SER A 1 222 ? 75.181 10.136 2.091 1.00 116.12 ? 442 SER A C 1 ATOM 1655 O O . SER A 1 222 ? 75.051 10.901 1.140 1.00 111.92 ? 442 SER A O 1 ATOM 1656 C CB . SER A 1 222 ? 74.316 8.187 3.440 1.00 121.25 ? 442 SER A CB 1 ATOM 1657 O OG . SER A 1 222 ? 74.386 7.121 2.522 1.00 126.52 ? 442 SER A OG 1 ATOM 1658 N N . LEU A 1 223 ? 76.371 9.829 2.607 1.00 122.30 ? 443 LEU A N 1 ATOM 1659 C CA . LEU A 1 223 ? 77.619 10.488 2.162 1.00 128.78 ? 443 LEU A CA 1 ATOM 1660 C C . LEU A 1 223 ? 78.499 9.664 1.219 1.00 134.42 ? 443 LEU A C 1 ATOM 1661 O O . LEU A 1 223 ? 79.140 10.219 0.323 1.00 134.70 ? 443 LEU A O 1 ATOM 1662 C CB . LEU A 1 223 ? 78.440 10.991 3.366 1.00 125.69 ? 443 LEU A CB 1 ATOM 1663 C CG . LEU A 1 223 ? 77.833 12.243 4.020 1.00 116.45 ? 443 LEU A CG 1 ATOM 1664 C CD1 . LEU A 1 223 ? 76.603 11.860 4.840 1.00 110.17 ? 443 LEU A CD1 1 ATOM 1665 C CD2 . LEU A 1 223 ? 78.838 13.033 4.848 1.00 111.02 ? 443 LEU A CD2 1 ATOM 1666 N N . SER B 2 19 ? 29.716 41.762 -6.197 1.00 122.03 ? 239 SER B N 1 ATOM 1667 C CA . SER B 2 19 ? 30.969 41.125 -5.677 1.00 122.66 ? 239 SER B CA 1 ATOM 1668 C C . SER B 2 19 ? 32.159 41.970 -6.035 1.00 122.27 ? 239 SER B C 1 ATOM 1669 O O . SER B 2 19 ? 32.204 42.511 -7.133 1.00 120.62 ? 239 SER B O 1 ATOM 1670 C CB . SER B 2 19 ? 31.173 39.739 -6.275 1.00 123.19 ? 239 SER B CB 1 ATOM 1671 O OG . SER B 2 19 ? 30.186 38.847 -5.791 1.00 133.43 ? 239 SER B OG 1 ATOM 1672 N N . VAL B 2 20 ? 33.127 42.069 -5.116 1.00 123.08 ? 240 VAL B N 1 ATOM 1673 C CA . VAL B 2 20 ? 34.358 42.865 -5.329 1.00 117.62 ? 240 VAL B CA 1 ATOM 1674 C C . VAL B 2 20 ? 35.633 42.056 -4.978 1.00 119.39 ? 240 VAL B C 1 ATOM 1675 O O . VAL B 2 20 ? 35.683 41.401 -3.938 1.00 129.16 ? 240 VAL B O 1 ATOM 1676 C CB . VAL B 2 20 ? 34.275 44.236 -4.580 1.00 110.99 ? 240 VAL B CB 1 ATOM 1677 C CG1 . VAL B 2 20 ? 35.638 44.914 -4.446 1.00 103.08 ? 240 VAL B CG1 1 ATOM 1678 C CG2 . VAL B 2 20 ? 33.265 45.154 -5.258 1.00 103.29 ? 240 VAL B CG2 1 ATOM 1679 N N . PHE B 2 21 ? 36.635 42.090 -5.864 1.00 117.73 ? 241 PHE B N 1 ATOM 1680 C CA . PHE B 2 21 ? 37.953 41.450 -5.656 1.00 116.95 ? 241 PHE B CA 1 ATOM 1681 C C . PHE B 2 21 ? 39.081 42.419 -6.007 1.00 118.41 ? 241 PHE B C 1 ATOM 1682 O O . PHE B 2 21 ? 38.968 43.173 -6.972 1.00 121.75 ? 241 PHE B O 1 ATOM 1683 C CB . PHE B 2 21 ? 38.095 40.171 -6.505 1.00 117.01 ? 241 PHE B CB 1 ATOM 1684 C CG . PHE B 2 21 ? 36.970 39.195 -6.320 1.00 122.07 ? 241 PHE B CG 1 ATOM 1685 C CD1 . PHE B 2 21 ? 36.898 38.402 -5.165 1.00 124.04 ? 241 PHE B CD1 1 ATOM 1686 C CD2 . PHE B 2 21 ? 35.969 39.078 -7.284 1.00 120.37 ? 241 PHE B CD2 1 ATOM 1687 C CE1 . PHE B 2 21 ? 35.849 37.522 -4.984 1.00 123.64 ? 241 PHE B CE1 1 ATOM 1688 C CE2 . PHE B 2 21 ? 34.912 38.193 -7.101 1.00 122.65 ? 241 PHE B CE2 1 ATOM 1689 C CZ . PHE B 2 21 ? 34.855 37.419 -5.954 1.00 123.49 ? 241 PHE B CZ 1 ATOM 1690 N N . LEU B 2 22 ? 40.175 42.383 -5.245 1.00 122.93 ? 242 LEU B N 1 ATOM 1691 C CA . LEU B 2 22 ? 41.319 43.285 -5.458 1.00 115.50 ? 242 LEU B CA 1 ATOM 1692 C C . LEU B 2 22 ? 42.644 42.517 -5.666 1.00 110.84 ? 242 LEU B C 1 ATOM 1693 O O . LEU B 2 22 ? 43.097 41.813 -4.763 1.00 113.24 ? 242 LEU B O 1 ATOM 1694 C CB . LEU B 2 22 ? 41.412 44.256 -4.270 1.00 118.14 ? 242 LEU B CB 1 ATOM 1695 C CG . LEU B 2 22 ? 42.338 45.472 -4.333 1.00 122.42 ? 242 LEU B CG 1 ATOM 1696 C CD1 . LEU B 2 22 ? 42.051 46.357 -5.530 1.00 125.03 ? 242 LEU B CD1 1 ATOM 1697 C CD2 . LEU B 2 22 ? 42.198 46.278 -3.066 1.00 121.87 ? 242 LEU B CD2 1 ATOM 1698 N N . PHE B 2 23 ? 43.268 42.667 -6.840 1.00 109.67 ? 243 PHE B N 1 ATOM 1699 C CA . PHE B 2 23 ? 44.530 41.934 -7.196 1.00 111.28 ? 243 PHE B CA 1 ATOM 1700 C C . PHE B 2 23 ? 45.882 42.719 -7.076 1.00 112.19 ? 243 PHE B C 1 ATOM 1701 O O . PHE B 2 23 ? 45.909 43.950 -7.212 1.00 109.54 ? 243 PHE B O 1 ATOM 1702 C CB . PHE B 2 23 ? 44.406 41.316 -8.602 1.00 100.33 ? 243 PHE B CB 1 ATOM 1703 C CG . PHE B 2 23 ? 43.162 40.521 -8.794 1.00 97.88 ? 243 PHE B CG 1 ATOM 1704 C CD1 . PHE B 2 23 ? 43.178 39.150 -8.655 1.00 99.45 ? 243 PHE B CD1 1 ATOM 1705 C CD2 . PHE B 2 23 ? 41.959 41.151 -9.114 1.00 100.10 ? 243 PHE B CD2 1 ATOM 1706 C CE1 . PHE B 2 23 ? 42.013 38.412 -8.832 1.00 106.34 ? 243 PHE B CE1 1 ATOM 1707 C CE2 . PHE B 2 23 ? 40.789 40.426 -9.305 1.00 100.77 ? 243 PHE B CE2 1 ATOM 1708 C CZ . PHE B 2 23 ? 40.817 39.049 -9.157 1.00 106.24 ? 243 PHE B CZ 1 ATOM 1709 N N . PRO B 2 24 ? 47.004 42.002 -6.803 1.00 108.46 ? 244 PRO B N 1 ATOM 1710 C CA . PRO B 2 24 ? 48.375 42.558 -6.869 1.00 102.69 ? 244 PRO B CA 1 ATOM 1711 C C . PRO B 2 24 ? 49.116 42.522 -8.255 1.00 96.79 ? 244 PRO B C 1 ATOM 1712 O O . PRO B 2 24 ? 48.755 41.730 -9.142 1.00 85.79 ? 244 PRO B O 1 ATOM 1713 C CB . PRO B 2 24 ? 49.127 41.685 -5.855 1.00 101.68 ? 244 PRO B CB 1 ATOM 1714 C CG . PRO B 2 24 ? 48.453 40.374 -5.958 1.00 98.47 ? 244 PRO B CG 1 ATOM 1715 C CD . PRO B 2 24 ? 46.993 40.725 -6.063 1.00 102.08 ? 244 PRO B CD 1 ATOM 1716 N N . PRO B 2 25 ? 50.168 43.361 -8.396 1.00 91.15 ? 245 PRO B N 1 ATOM 1717 C CA . PRO B 2 25 ? 51.108 43.460 -9.509 1.00 92.20 ? 245 PRO B CA 1 ATOM 1718 C C . PRO B 2 25 ? 51.916 42.201 -9.686 1.00 94.57 ? 245 PRO B C 1 ATOM 1719 O O . PRO B 2 25 ? 51.966 41.401 -8.771 1.00 96.51 ? 245 PRO B O 1 ATOM 1720 C CB . PRO B 2 25 ? 52.067 44.553 -9.058 1.00 90.14 ? 245 PRO B CB 1 ATOM 1721 C CG . PRO B 2 25 ? 51.948 44.591 -7.594 1.00 89.00 ? 245 PRO B CG 1 ATOM 1722 C CD . PRO B 2 25 ? 50.502 44.330 -7.338 1.00 92.09 ? 245 PRO B CD 1 ATOM 1723 N N . LYS B 2 26 ? 52.558 42.045 -10.842 1.00 95.74 ? 246 LYS B N 1 ATOM 1724 C CA . LYS B 2 26 ? 53.325 40.844 -11.142 1.00 101.58 ? 246 LYS B CA 1 ATOM 1725 C C . LYS B 2 26 ? 54.798 41.115 -10.835 1.00 102.13 ? 246 LYS B C 1 ATOM 1726 O O . LYS B 2 26 ? 55.445 41.856 -11.558 1.00 106.21 ? 246 LYS B O 1 ATOM 1727 C CB . LYS B 2 26 ? 53.126 40.430 -12.620 1.00 114.85 ? 246 LYS B CB 1 ATOM 1728 C CG . LYS B 2 26 ? 51.759 39.802 -12.993 1.00 117.60 ? 246 LYS B CG 1 ATOM 1729 C CD . LYS B 2 26 ? 51.544 39.642 -14.513 1.00 113.72 ? 246 LYS B CD 1 ATOM 1730 C CE . LYS B 2 26 ? 51.355 40.981 -15.249 1.00 108.94 ? 246 LYS B CE 1 ATOM 1731 N NZ . LYS B 2 26 ? 50.010 41.623 -15.051 1.00 101.61 ? 246 LYS B NZ 1 ATOM 1732 N N . PRO B 2 27 ? 55.335 40.523 -9.751 1.00 103.13 ? 247 PRO B N 1 ATOM 1733 C CA . PRO B 2 27 ? 56.667 40.779 -9.158 1.00 98.85 ? 247 PRO B CA 1 ATOM 1734 C C . PRO B 2 27 ? 57.757 41.495 -9.985 1.00 97.49 ? 247 PRO B C 1 ATOM 1735 O O . PRO B 2 27 ? 58.249 42.542 -9.552 1.00 92.83 ? 247 PRO B O 1 ATOM 1736 C CB . PRO B 2 27 ? 57.097 39.390 -8.734 1.00 99.22 ? 247 PRO B CB 1 ATOM 1737 C CG . PRO B 2 27 ? 55.799 38.778 -8.258 1.00 102.95 ? 247 PRO B CG 1 ATOM 1738 C CD . PRO B 2 27 ? 54.654 39.458 -8.993 1.00 102.94 ? 247 PRO B CD 1 ATOM 1739 N N . LYS B 2 28 ? 58.113 40.980 -11.158 1.00 98.44 ? 248 LYS B N 1 ATOM 1740 C CA . LYS B 2 28 ? 59.102 41.654 -12.011 1.00 91.08 ? 248 LYS B CA 1 ATOM 1741 C C . LYS B 2 28 ? 58.699 43.115 -12.286 1.00 92.10 ? 248 LYS B C 1 ATOM 1742 O O . LYS B 2 28 ? 59.556 43.984 -12.486 1.00 91.77 ? 248 LYS B O 1 ATOM 1743 C CB . LYS B 2 28 ? 59.311 40.859 -13.290 1.00 94.31 ? 248 LYS B CB 1 ATOM 1744 C CG . LYS B 2 28 ? 59.548 39.373 -12.990 1.00 108.77 ? 248 LYS B CG 1 ATOM 1745 C CD . LYS B 2 28 ? 58.642 38.389 -13.762 1.00 114.34 ? 248 LYS B CD 1 ATOM 1746 C CE . LYS B 2 28 ? 59.388 37.656 -14.895 1.00 118.96 ? 248 LYS B CE 1 ATOM 1747 N NZ . LYS B 2 28 ? 58.525 36.992 -15.925 1.00 112.77 ? 248 LYS B NZ 1 ATOM 1748 N N . ASP B 2 29 ? 57.399 43.401 -12.238 1.00 89.99 ? 249 ASP B N 1 ATOM 1749 C CA . ASP B 2 29 ? 56.894 44.747 -12.544 1.00 90.76 ? 249 ASP B CA 1 ATOM 1750 C C . ASP B 2 29 ? 57.249 45.703 -11.442 1.00 84.81 ? 249 ASP B C 1 ATOM 1751 O O . ASP B 2 29 ? 57.539 46.852 -11.662 1.00 86.69 ? 249 ASP B O 1 ATOM 1752 C CB . ASP B 2 29 ? 55.363 44.756 -12.713 1.00 93.26 ? 249 ASP B CB 1 ATOM 1753 C CG . ASP B 2 29 ? 54.880 44.129 -14.048 1.00 92.31 ? 249 ASP B CG 1 ATOM 1754 O OD1 . ASP B 2 29 ? 55.651 44.147 -15.060 1.00 89.02 ? 249 ASP B OD1 1 ATOM 1755 O OD2 . ASP B 2 29 ? 53.705 43.639 -14.059 1.00 90.04 -1 249 ASP B OD2 1 ATOM 1756 N N . THR B 2 30 ? 57.201 45.212 -10.232 1.00 87.28 ? 250 THR B N 1 ATOM 1757 C CA . THR B 2 30 ? 57.408 46.065 -9.093 1.00 85.37 ? 250 THR B CA 1 ATOM 1758 C C . THR B 2 30 ? 58.899 46.159 -8.760 1.00 84.34 ? 250 THR B C 1 ATOM 1759 O O . THR B 2 30 ? 59.325 47.122 -8.134 1.00 86.25 ? 250 THR B O 1 ATOM 1760 C CB . THR B 2 30 ? 56.664 45.522 -7.860 1.00 84.44 ? 250 THR B CB 1 ATOM 1761 O OG1 . THR B 2 30 ? 57.628 45.037 -6.943 1.00 90.34 ? 250 THR B OG1 1 ATOM 1762 C CG2 . THR B 2 30 ? 55.711 44.346 -8.222 1.00 82.33 ? 250 THR B CG2 1 ATOM 1763 N N . LEU B 2 31 ? 59.695 45.158 -9.137 1.00 80.39 ? 251 LEU B N 1 ATOM 1764 C CA . LEU B 2 31 ? 61.114 45.196 -8.772 1.00 80.21 ? 251 LEU B CA 1 ATOM 1765 C C . LEU B 2 31 ? 62.010 45.886 -9.782 1.00 85.78 ? 251 LEU B C 1 ATOM 1766 O O . LEU B 2 31 ? 63.188 46.076 -9.518 1.00 94.54 ? 251 LEU B O 1 ATOM 1767 C CB . LEU B 2 31 ? 61.668 43.819 -8.457 1.00 76.13 ? 251 LEU B CB 1 ATOM 1768 C CG . LEU B 2 31 ? 60.965 43.004 -7.363 1.00 74.41 ? 251 LEU B CG 1 ATOM 1769 C CD1 . LEU B 2 31 ? 61.204 41.515 -7.513 1.00 71.50 ? 251 LEU B CD1 1 ATOM 1770 C CD2 . LEU B 2 31 ? 61.350 43.449 -5.968 1.00 78.39 ? 251 LEU B CD2 1 ATOM 1771 N N . MET B 2 32 ? 61.454 46.299 -10.917 1.00 91.72 ? 252 MET B N 1 ATOM 1772 C CA . MET B 2 32 ? 62.252 46.888 -11.989 1.00 86.51 ? 252 MET B CA 1 ATOM 1773 C C . MET B 2 32 ? 61.850 48.314 -12.231 1.00 87.98 ? 252 MET B C 1 ATOM 1774 O O . MET B 2 32 ? 60.720 48.607 -12.593 1.00 88.98 ? 252 MET B O 1 ATOM 1775 C CB . MET B 2 32 ? 62.133 46.071 -13.270 1.00 86.82 ? 252 MET B CB 1 ATOM 1776 C CG . MET B 2 32 ? 63.068 44.880 -13.282 1.00 93.34 ? 252 MET B CG 1 ATOM 1777 S SD . MET B 2 32 ? 63.066 43.952 -14.822 1.00 106.33 ? 252 MET B SD 1 ATOM 1778 C CE . MET B 2 32 ? 64.689 43.166 -14.747 1.00 108.08 ? 252 MET B CE 1 ATOM 1779 N N . ILE B 2 33 ? 62.820 49.189 -12.053 1.00 91.22 ? 253 ILE B N 1 ATOM 1780 C CA . ILE B 2 33 ? 62.678 50.639 -12.138 1.00 90.35 ? 253 ILE B CA 1 ATOM 1781 C C . ILE B 2 33 ? 61.914 51.169 -13.339 1.00 90.56 ? 253 ILE B C 1 ATOM 1782 O O . ILE B 2 33 ? 61.477 52.304 -13.317 1.00 97.40 ? 253 ILE B O 1 ATOM 1783 C CB . ILE B 2 33 ? 64.076 51.297 -12.054 1.00 97.15 ? 253 ILE B CB 1 ATOM 1784 C CG1 . ILE B 2 33 ? 64.921 50.642 -10.929 1.00 108.75 ? 253 ILE B CG1 1 ATOM 1785 C CG2 . ILE B 2 33 ? 63.972 52.779 -11.747 1.00 94.22 ? 253 ILE B CG2 1 ATOM 1786 C CD1 . ILE B 2 33 ? 65.499 49.240 -11.179 1.00 99.51 ? 253 ILE B CD1 1 ATOM 1787 N N . SER B 2 34 ? 61.707 50.364 -14.374 1.00 96.13 ? 254 SER B N 1 ATOM 1788 C CA . SER B 2 34 ? 61.114 50.871 -15.640 1.00 98.55 ? 254 SER B CA 1 ATOM 1789 C C . SER B 2 34 ? 59.842 50.152 -16.093 1.00 101.90 ? 254 SER B C 1 ATOM 1790 O O . SER B 2 34 ? 59.039 50.719 -16.822 1.00 105.73 ? 254 SER B O 1 ATOM 1791 C CB . SER B 2 34 ? 62.111 50.689 -16.748 1.00 97.15 ? 254 SER B CB 1 ATOM 1792 O OG . SER B 2 34 ? 62.272 49.291 -16.929 1.00 95.56 ? 254 SER B OG 1 ATOM 1793 N N . ARG B 2 35 ? 59.684 48.891 -15.706 1.00 100.02 ? 255 ARG B N 1 ATOM 1794 C CA . ARG B 2 35 ? 58.495 48.122 -16.015 1.00 101.09 ? 255 ARG B CA 1 ATOM 1795 C C . ARG B 2 35 ? 57.317 48.727 -15.227 1.00 99.97 ? 255 ARG B C 1 ATOM 1796 O O . ARG B 2 35 ? 57.554 49.419 -14.241 1.00 96.88 ? 255 ARG B O 1 ATOM 1797 C CB . ARG B 2 35 ? 58.760 46.695 -15.586 1.00 104.47 ? 255 ARG B CB 1 ATOM 1798 C CG . ARG B 2 35 ? 58.161 45.648 -16.485 1.00 119.17 ? 255 ARG B CG 1 ATOM 1799 C CD . ARG B 2 35 ? 58.377 44.273 -15.877 1.00 121.11 ? 255 ARG B CD 1 ATOM 1800 N NE . ARG B 2 35 ? 57.975 43.220 -16.804 1.00 131.25 ? 255 ARG B NE 1 ATOM 1801 C CZ . ARG B 2 35 ? 58.808 42.600 -17.639 1.00 133.93 ? 255 ARG B CZ 1 ATOM 1802 N NH1 . ARG B 2 35 ? 60.097 42.917 -17.650 1.00 133.36 ? 255 ARG B NH1 1 ATOM 1803 N NH2 . ARG B 2 35 ? 58.361 41.654 -18.456 1.00 134.43 ? 255 ARG B NH2 1 ATOM 1804 N N . THR B 2 36 ? 56.067 48.484 -15.634 1.00 96.43 ? 256 THR B N 1 ATOM 1805 C CA . THR B 2 36 ? 54.938 49.176 -15.012 1.00 94.13 ? 256 THR B CA 1 ATOM 1806 C C . THR B 2 36 ? 54.062 48.274 -14.128 1.00 99.30 ? 256 THR B C 1 ATOM 1807 O O . THR B 2 36 ? 53.291 47.483 -14.674 1.00 109.87 ? 256 THR B O 1 ATOM 1808 C CB . THR B 2 36 ? 54.025 49.775 -16.085 1.00 98.18 ? 256 THR B CB 1 ATOM 1809 O OG1 . THR B 2 36 ? 54.817 50.515 -17.018 1.00 105.22 ? 256 THR B OG1 1 ATOM 1810 C CG2 . THR B 2 36 ? 52.972 50.690 -15.459 1.00 95.36 ? 256 THR B CG2 1 ATOM 1811 N N . PRO B 2 37 ? 54.131 48.420 -12.776 1.00 91.21 ? 257 PRO B N 1 ATOM 1812 C CA . PRO B 2 37 ? 53.341 47.575 -11.878 1.00 92.55 ? 257 PRO B CA 1 ATOM 1813 C C . PRO B 2 37 ? 51.895 48.070 -11.691 1.00 98.41 ? 257 PRO B C 1 ATOM 1814 O O . PRO B 2 37 ? 51.657 49.303 -11.544 1.00 86.05 ? 257 PRO B O 1 ATOM 1815 C CB . PRO B 2 37 ? 54.108 47.670 -10.560 1.00 85.41 ? 257 PRO B CB 1 ATOM 1816 C CG . PRO B 2 37 ? 54.609 49.070 -10.567 1.00 87.70 ? 257 PRO B CG 1 ATOM 1817 C CD . PRO B 2 37 ? 54.899 49.420 -12.011 1.00 88.91 ? 257 PRO B CD 1 ATOM 1818 N N . GLU B 2 38 ? 50.956 47.101 -11.676 1.00 103.23 ? 258 GLU B N 1 ATOM 1819 C CA . GLU B 2 38 ? 49.500 47.384 -11.717 1.00 101.92 ? 258 GLU B CA 1 ATOM 1820 C C . GLU B 2 38 ? 48.632 46.351 -11.011 1.00 101.68 ? 258 GLU B C 1 ATOM 1821 O O . GLU B 2 38 ? 48.654 45.159 -11.360 1.00 101.73 ? 258 GLU B O 1 ATOM 1822 C CB . GLU B 2 38 ? 49.001 47.500 -13.162 1.00 102.27 ? 258 GLU B CB 1 ATOM 1823 C CG . GLU B 2 38 ? 50.097 47.419 -14.216 1.00 108.19 ? 258 GLU B CG 1 ATOM 1824 C CD . GLU B 2 38 ? 49.566 47.362 -15.633 1.00 115.22 ? 258 GLU B CD 1 ATOM 1825 O OE1 . GLU B 2 38 ? 48.338 47.507 -15.801 1.00 114.53 ? 258 GLU B OE1 1 ATOM 1826 O OE2 . GLU B 2 38 ? 50.379 47.182 -16.575 1.00 122.16 -1 258 GLU B OE2 1 ATOM 1827 N N . VAL B 2 39 ? 47.868 46.829 -10.026 1.00 99.47 ? 259 VAL B N 1 ATOM 1828 C CA . VAL B 2 39 ? 46.711 46.106 -9.440 1.00 102.13 ? 259 VAL B CA 1 ATOM 1829 C C . VAL B 2 39 ? 45.607 45.701 -10.465 1.00 108.95 ? 259 VAL B C 1 ATOM 1830 O O . VAL B 2 39 ? 45.873 45.507 -11.661 1.00 109.68 ? 259 VAL B O 1 ATOM 1831 C CB . VAL B 2 39 ? 45.968 46.986 -8.401 1.00 97.08 ? 259 VAL B CB 1 ATOM 1832 C CG1 . VAL B 2 39 ? 46.728 47.123 -7.069 1.00 90.31 ? 259 VAL B CG1 1 ATOM 1833 C CG2 . VAL B 2 39 ? 45.600 48.333 -9.032 1.00 92.84 ? 259 VAL B CG2 1 ATOM 1834 N N . THR B 2 40 ? 44.376 45.565 -9.945 1.00 107.39 ? 260 THR B N 1 ATOM 1835 C CA . THR B 2 40 ? 43.089 45.418 -10.679 1.00 107.18 ? 260 THR B CA 1 ATOM 1836 C C . THR B 2 40 ? 41.918 45.250 -9.653 1.00 106.63 ? 260 THR B C 1 ATOM 1837 O O . THR B 2 40 ? 41.954 44.317 -8.828 1.00 100.87 ? 260 THR B O 1 ATOM 1838 C CB . THR B 2 40 ? 43.048 44.230 -11.691 1.00 106.07 ? 260 THR B CB 1 ATOM 1839 O OG1 . THR B 2 40 ? 44.150 44.301 -12.607 1.00 106.95 ? 260 THR B OG1 1 ATOM 1840 C CG2 . THR B 2 40 ? 41.765 44.276 -12.496 1.00 106.56 ? 260 THR B CG2 1 ATOM 1841 N N . CYS B 2 41 ? 40.923 46.165 -9.686 1.00 105.13 ? 261 CYS B N 1 ATOM 1842 C CA . CYS B 2 41 ? 39.615 45.986 -9.004 1.00 97.67 ? 261 CYS B CA 1 ATOM 1843 C C . CYS B 2 41 ? 38.665 45.440 -10.018 1.00 95.06 ? 261 CYS B C 1 ATOM 1844 O O . CYS B 2 41 ? 38.055 46.201 -10.739 1.00 95.07 ? 261 CYS B O 1 ATOM 1845 C CB . CYS B 2 41 ? 39.015 47.294 -8.466 1.00 97.30 ? 261 CYS B CB 1 ATOM 1846 S SG . CYS B 2 41 ? 38.088 47.230 -6.884 1.00 102.62 ? 261 CYS B SG 1 ATOM 1847 N N . VAL B 2 42 ? 38.568 44.121 -10.080 1.00 97.98 ? 262 VAL B N 1 ATOM 1848 C CA . VAL B 2 42 ? 37.572 43.444 -10.901 1.00 106.53 ? 262 VAL B CA 1 ATOM 1849 C C . VAL B 2 42 ? 36.235 43.269 -10.137 1.00 111.37 ? 262 VAL B C 1 ATOM 1850 O O . VAL B 2 42 ? 36.130 42.485 -9.181 1.00 110.54 ? 262 VAL B O 1 ATOM 1851 C CB . VAL B 2 42 ? 38.116 42.099 -11.461 1.00 107.61 ? 262 VAL B CB 1 ATOM 1852 C CG1 . VAL B 2 42 ? 36.985 41.216 -11.979 1.00 104.71 ? 262 VAL B CG1 1 ATOM 1853 C CG2 . VAL B 2 42 ? 39.163 42.359 -12.539 1.00 103.80 ? 262 VAL B CG2 1 ATOM 1854 N N . VAL B 2 43 ? 35.229 44.027 -10.580 1.00 114.62 ? 263 VAL B N 1 ATOM 1855 C CA . VAL B 2 43 ? 33.829 43.919 -10.129 1.00 117.92 ? 263 VAL B CA 1 ATOM 1856 C C . VAL B 2 43 ? 33.072 42.887 -11.027 1.00 121.44 ? 263 VAL B C 1 ATOM 1857 O O . VAL B 2 43 ? 32.982 43.110 -12.243 1.00 121.89 ? 263 VAL B O 1 ATOM 1858 C CB . VAL B 2 43 ? 33.128 45.324 -10.195 1.00 118.18 ? 263 VAL B CB 1 ATOM 1859 C CG1 . VAL B 2 43 ? 31.838 45.376 -9.389 1.00 120.90 ? 263 VAL B CG1 1 ATOM 1860 C CG2 . VAL B 2 43 ? 34.046 46.424 -9.701 1.00 115.66 ? 263 VAL B CG2 1 ATOM 1861 N N . VAL B 2 44 ? 32.560 41.772 -10.456 1.00 122.44 ? 264 VAL B N 1 ATOM 1862 C CA . VAL B 2 44 ? 31.650 40.802 -11.182 1.00 120.28 ? 264 VAL B CA 1 ATOM 1863 C C . VAL B 2 44 ? 30.135 40.896 -10.770 1.00 121.28 ? 264 VAL B C 1 ATOM 1864 O O . VAL B 2 44 ? 29.803 41.446 -9.709 1.00 118.98 ? 264 VAL B O 1 ATOM 1865 C CB . VAL B 2 44 ? 32.202 39.326 -11.195 1.00 119.25 ? 264 VAL B CB 1 ATOM 1866 C CG1 . VAL B 2 44 ? 33.727 39.306 -11.385 1.00 112.23 ? 264 VAL B CG1 1 ATOM 1867 C CG2 . VAL B 2 44 ? 31.787 38.528 -9.957 1.00 115.80 ? 264 VAL B CG2 1 ATOM 1868 N N . ASP B 2 45 ? 29.232 40.391 -11.620 1.00 123.45 ? 265 ASP B N 1 ATOM 1869 C CA . ASP B 2 45 ? 27.770 40.339 -11.341 1.00 126.68 ? 265 ASP B CA 1 ATOM 1870 C C . ASP B 2 45 ? 27.052 41.687 -11.258 1.00 129.40 ? 265 ASP B C 1 ATOM 1871 O O . ASP B 2 45 ? 26.318 41.936 -10.295 1.00 129.14 ? 265 ASP B O 1 ATOM 1872 C CB . ASP B 2 45 ? 27.462 39.549 -10.059 1.00 127.61 ? 265 ASP B CB 1 ATOM 1873 C CG . ASP B 2 45 ? 27.884 38.096 -10.147 1.00 134.19 ? 265 ASP B CG 1 ATOM 1874 O OD1 . ASP B 2 45 ? 27.571 37.439 -11.166 1.00 140.50 ? 265 ASP B OD1 1 ATOM 1875 O OD2 . ASP B 2 45 ? 28.524 37.605 -9.188 1.00 130.98 -1 265 ASP B OD2 1 ATOM 1876 N N . VAL B 2 46 ? 27.256 42.545 -12.262 1.00 133.87 ? 266 VAL B N 1 ATOM 1877 C CA . VAL B 2 46 ? 26.550 43.846 -12.369 1.00 136.62 ? 266 VAL B CA 1 ATOM 1878 C C . VAL B 2 46 ? 25.287 43.712 -13.232 1.00 144.71 ? 266 VAL B C 1 ATOM 1879 O O . VAL B 2 46 ? 25.346 43.294 -14.401 1.00 147.07 ? 266 VAL B O 1 ATOM 1880 C CB . VAL B 2 46 ? 27.465 44.983 -12.913 1.00 131.68 ? 266 VAL B CB 1 ATOM 1881 C CG1 . VAL B 2 46 ? 26.675 46.246 -13.236 1.00 132.42 ? 266 VAL B CG1 1 ATOM 1882 C CG2 . VAL B 2 46 ? 28.545 45.319 -11.908 1.00 127.48 ? 266 VAL B CG2 1 ATOM 1883 N N . SER B 2 47 ? 24.153 44.080 -12.639 1.00 148.05 ? 267 SER B N 1 ATOM 1884 C CA . SER B 2 47 ? 22.845 43.912 -13.257 1.00 156.27 ? 267 SER B CA 1 ATOM 1885 C C . SER B 2 47 ? 22.700 44.659 -14.599 1.00 163.77 ? 267 SER B C 1 ATOM 1886 O O . SER B 2 47 ? 23.214 45.770 -14.757 1.00 163.19 ? 267 SER B O 1 ATOM 1887 C CB . SER B 2 47 ? 21.763 44.370 -12.273 1.00 154.26 ? 267 SER B CB 1 ATOM 1888 O OG . SER B 2 47 ? 22.134 44.087 -10.934 1.00 152.75 ? 267 SER B OG 1 ATOM 1889 N N . HIS B 2 48 ? 22.027 44.028 -15.566 1.00 171.10 ? 268 HIS B N 1 ATOM 1890 C CA . HIS B 2 48 ? 21.498 44.741 -16.734 1.00 174.58 ? 268 HIS B CA 1 ATOM 1891 C C . HIS B 2 48 ? 20.337 45.620 -16.224 1.00 179.94 ? 268 HIS B C 1 ATOM 1892 O O . HIS B 2 48 ? 19.854 46.502 -16.936 1.00 180.49 ? 268 HIS B O 1 ATOM 1893 C CB . HIS B 2 48 ? 21.026 43.764 -17.836 1.00 175.78 ? 268 HIS B CB 1 ATOM 1894 C CG . HIS B 2 48 ? 22.129 43.205 -18.694 1.00 172.46 ? 268 HIS B CG 1 ATOM 1895 N ND1 . HIS B 2 48 ? 22.126 43.309 -20.070 1.00 173.63 ? 268 HIS B ND1 1 ATOM 1896 C CD2 . HIS B 2 48 ? 23.251 42.513 -18.376 1.00 168.04 ? 268 HIS B CD2 1 ATOM 1897 C CE1 . HIS B 2 48 ? 23.202 42.719 -20.561 1.00 172.27 ? 268 HIS B CE1 1 ATOM 1898 N NE2 . HIS B 2 48 ? 23.901 42.227 -19.554 1.00 169.28 ? 268 HIS B NE2 1 ATOM 1899 N N . GLU B 2 49 ? 19.904 45.350 -14.984 1.00 184.24 ? 269 GLU B N 1 ATOM 1900 C CA . GLU B 2 49 ? 18.990 46.208 -14.206 1.00 188.14 ? 269 GLU B CA 1 ATOM 1901 C C . GLU B 2 49 ? 19.664 47.502 -13.699 1.00 194.65 ? 269 GLU B C 1 ATOM 1902 O O . GLU B 2 49 ? 19.159 48.595 -13.956 1.00 202.80 ? 269 GLU B O 1 ATOM 1903 C CB . GLU B 2 49 ? 18.398 45.439 -13.010 1.00 181.04 ? 269 GLU B CB 1 ATOM 1904 C CG . GLU B 2 49 ? 16.887 45.239 -13.024 1.00 181.95 ? 269 GLU B CG 1 ATOM 1905 C CD . GLU B 2 49 ? 16.316 44.860 -11.656 1.00 182.15 ? 269 GLU B CD 1 ATOM 1906 O OE1 . GLU B 2 49 ? 15.114 44.500 -11.582 1.00 182.20 ? 269 GLU B OE1 1 ATOM 1907 O OE2 . GLU B 2 49 ? 17.058 44.925 -10.648 1.00 175.29 -1 269 GLU B OE2 1 ATOM 1908 N N . ASP B 2 50 ? 20.781 47.374 -12.970 1.00 192.57 ? 270 ASP B N 1 ATOM 1909 C CA . ASP B 2 50 ? 21.542 48.523 -12.433 1.00 188.21 ? 270 ASP B CA 1 ATOM 1910 C C . ASP B 2 50 ? 22.975 48.562 -12.994 1.00 183.88 ? 270 ASP B C 1 ATOM 1911 O O . ASP B 2 50 ? 23.916 48.101 -12.328 1.00 173.14 ? 270 ASP B O 1 ATOM 1912 C CB . ASP B 2 50 ? 21.576 48.492 -10.895 1.00 188.73 ? 270 ASP B CB 1 ATOM 1913 C CG . ASP B 2 50 ? 20.242 48.880 -10.257 1.00 195.69 ? 270 ASP B CG 1 ATOM 1914 O OD1 . ASP B 2 50 ? 19.362 49.443 -10.946 1.00 197.27 ? 270 ASP B OD1 1 ATOM 1915 O OD2 . ASP B 2 50 ? 20.074 48.623 -9.046 1.00 196.94 -1 270 ASP B OD2 1 ATOM 1916 N N . PRO B 2 51 ? 23.145 49.135 -14.210 1.00 185.06 ? 271 PRO B N 1 ATOM 1917 C CA . PRO B 2 51 ? 24.371 48.961 -15.010 1.00 176.49 ? 271 PRO B CA 1 ATOM 1918 C C . PRO B 2 51 ? 25.534 49.866 -14.618 1.00 163.28 ? 271 PRO B C 1 ATOM 1919 O O . PRO B 2 51 ? 26.674 49.560 -14.962 1.00 153.75 ? 271 PRO B O 1 ATOM 1920 C CB . PRO B 2 51 ? 23.908 49.300 -16.434 1.00 183.39 ? 271 PRO B CB 1 ATOM 1921 C CG . PRO B 2 51 ? 22.757 50.247 -16.250 1.00 185.94 ? 271 PRO B CG 1 ATOM 1922 C CD . PRO B 2 51 ? 22.216 50.094 -14.846 1.00 183.39 ? 271 PRO B CD 1 ATOM 1923 N N . GLU B 2 52 ? 25.226 50.962 -13.920 1.00 160.58 ? 272 GLU B N 1 ATOM 1924 C CA . GLU B 2 52 ? 26.198 51.987 -13.541 1.00 153.94 ? 272 GLU B CA 1 ATOM 1925 C C . GLU B 2 52 ? 26.979 51.642 -12.277 1.00 148.58 ? 272 GLU B C 1 ATOM 1926 O O . GLU B 2 52 ? 26.395 51.308 -11.247 1.00 147.21 ? 272 GLU B O 1 ATOM 1927 C CB . GLU B 2 52 ? 25.527 53.364 -13.418 1.00 154.93 ? 272 GLU B CB 1 ATOM 1928 C CG . GLU B 2 52 ? 25.875 54.331 -14.547 1.00 158.45 ? 272 GLU B CG 1 ATOM 1929 C CD . GLU B 2 52 ? 25.490 53.827 -15.933 1.00 158.69 ? 272 GLU B CD 1 ATOM 1930 O OE1 . GLU B 2 52 ? 24.292 53.896 -16.279 1.00 156.66 ? 272 GLU B OE1 1 ATOM 1931 O OE2 . GLU B 2 52 ? 26.391 53.382 -16.687 1.00 156.74 -1 272 GLU B OE2 1 ATOM 1932 N N . VAL B 2 53 ? 28.308 51.729 -12.400 1.00 146.87 ? 273 VAL B N 1 ATOM 1933 C CA . VAL B 2 53 ? 29.294 51.357 -11.380 1.00 135.76 ? 273 VAL B CA 1 ATOM 1934 C C . VAL B 2 53 ? 30.404 52.431 -11.326 1.00 135.96 ? 273 VAL B C 1 ATOM 1935 O O . VAL B 2 53 ? 31.047 52.753 -12.348 1.00 123.79 ? 273 VAL B O 1 ATOM 1936 C CB . VAL B 2 53 ? 29.878 49.948 -11.652 1.00 132.27 ? 273 VAL B CB 1 ATOM 1937 C CG1 . VAL B 2 53 ? 31.092 49.663 -10.780 1.00 129.91 ? 273 VAL B CG1 1 ATOM 1938 C CG2 . VAL B 2 53 ? 28.815 48.883 -11.433 1.00 131.20 ? 273 VAL B CG2 1 ATOM 1939 N N . LYS B 2 54 ? 30.600 52.956 -10.110 1.00 141.39 ? 274 LYS B N 1 ATOM 1940 C CA . LYS B 2 54 ? 31.459 54.110 -9.786 1.00 140.69 ? 274 LYS B CA 1 ATOM 1941 C C . LYS B 2 54 ? 32.590 53.653 -8.848 1.00 138.15 ? 274 LYS B C 1 ATOM 1942 O O . LYS B 2 54 ? 32.337 52.948 -7.862 1.00 134.16 ? 274 LYS B O 1 ATOM 1943 C CB . LYS B 2 54 ? 30.608 55.198 -9.098 1.00 139.55 ? 274 LYS B CB 1 ATOM 1944 C CG . LYS B 2 54 ? 30.917 56.635 -9.486 1.00 136.54 ? 274 LYS B CG 1 ATOM 1945 C CD . LYS B 2 54 ? 31.690 57.377 -8.407 1.00 135.14 ? 274 LYS B CD 1 ATOM 1946 C CE . LYS B 2 54 ? 32.591 58.437 -9.032 1.00 134.25 ? 274 LYS B CE 1 ATOM 1947 N NZ . LYS B 2 54 ? 33.107 59.415 -8.040 1.00 132.79 ? 274 LYS B NZ 1 ATOM 1948 N N . PHE B 2 55 ? 33.826 54.056 -9.148 1.00 133.59 ? 275 PHE B N 1 ATOM 1949 C CA . PHE B 2 55 ? 34.984 53.575 -8.389 1.00 128.81 ? 275 PHE B CA 1 ATOM 1950 C C . PHE B 2 55 ? 35.609 54.631 -7.511 1.00 134.77 ? 275 PHE B C 1 ATOM 1951 O O . PHE B 2 55 ? 35.555 55.822 -7.821 1.00 144.81 ? 275 PHE B O 1 ATOM 1952 C CB . PHE B 2 55 ? 36.052 53.026 -9.318 1.00 120.13 ? 275 PHE B CB 1 ATOM 1953 C CG . PHE B 2 55 ? 35.595 51.871 -10.135 1.00 121.21 ? 275 PHE B CG 1 ATOM 1954 C CD1 . PHE B 2 55 ? 35.732 50.568 -9.650 1.00 120.75 ? 275 PHE B CD1 1 ATOM 1955 C CD2 . PHE B 2 55 ? 35.020 52.077 -11.387 1.00 117.94 ? 275 PHE B CD2 1 ATOM 1956 C CE1 . PHE B 2 55 ? 35.307 49.493 -10.410 1.00 122.20 ? 275 PHE B CE1 1 ATOM 1957 C CE2 . PHE B 2 55 ? 34.588 51.007 -12.146 1.00 119.64 ? 275 PHE B CE2 1 ATOM 1958 C CZ . PHE B 2 55 ? 34.734 49.714 -11.662 1.00 123.17 ? 275 PHE B CZ 1 ATOM 1959 N N . ASN B 2 56 ? 36.220 54.176 -6.420 1.00 135.86 ? 276 ASN B N 1 ATOM 1960 C CA . ASN B 2 56 ? 36.930 55.048 -5.490 1.00 138.98 ? 276 ASN B CA 1 ATOM 1961 C C . ASN B 2 56 ? 38.107 54.334 -4.843 1.00 138.33 ? 276 ASN B C 1 ATOM 1962 O O . ASN B 2 56 ? 37.964 53.792 -3.746 1.00 136.53 ? 276 ASN B O 1 ATOM 1963 C CB . ASN B 2 56 ? 35.988 55.568 -4.395 1.00 145.18 ? 276 ASN B CB 1 ATOM 1964 C CG . ASN B 2 56 ? 35.097 56.694 -4.880 1.00 152.78 ? 276 ASN B CG 1 ATOM 1965 O OD1 . ASN B 2 56 ? 33.902 56.492 -5.138 1.00 152.77 ? 276 ASN B OD1 1 ATOM 1966 N ND2 . ASN B 2 56 ? 35.676 57.887 -5.027 1.00 151.45 ? 276 ASN B ND2 1 ATOM 1967 N N . TRP B 2 57 ? 39.267 54.316 -5.507 1.00 131.89 ? 277 TRP B N 1 ATOM 1968 C CA . TRP B 2 57 ? 40.444 53.773 -4.846 1.00 120.14 ? 277 TRP B CA 1 ATOM 1969 C C . TRP B 2 57 ? 41.196 54.882 -4.130 1.00 118.74 ? 277 TRP B C 1 ATOM 1970 O O . TRP B 2 57 ? 41.373 55.974 -4.683 1.00 118.34 ? 277 TRP B O 1 ATOM 1971 C CB . TRP B 2 57 ? 41.409 53.021 -5.764 1.00 112.35 ? 277 TRP B CB 1 ATOM 1972 C CG . TRP B 2 57 ? 40.993 52.666 -7.149 1.00 105.76 ? 277 TRP B CG 1 ATOM 1973 C CD1 . TRP B 2 57 ? 40.364 53.467 -8.040 1.00 107.00 ? 277 TRP B CD1 1 ATOM 1974 C CD2 . TRP B 2 57 ? 41.294 51.432 -7.849 1.00 104.37 ? 277 TRP B CD2 1 ATOM 1975 N NE1 . TRP B 2 57 ? 40.203 52.810 -9.246 1.00 105.39 ? 277 TRP B NE1 1 ATOM 1976 C CE2 . TRP B 2 57 ? 40.765 51.565 -9.167 1.00 101.00 ? 277 TRP B CE2 1 ATOM 1977 C CE3 . TRP B 2 57 ? 41.956 50.224 -7.486 1.00 97.68 ? 277 TRP B CE3 1 ATOM 1978 C CZ2 . TRP B 2 57 ? 40.872 50.550 -10.142 1.00 95.80 ? 277 TRP B CZ2 1 ATOM 1979 C CZ3 . TRP B 2 57 ? 42.045 49.191 -8.452 1.00 93.63 ? 277 TRP B CZ3 1 ATOM 1980 C CH2 . TRP B 2 57 ? 41.505 49.377 -9.780 1.00 95.50 ? 277 TRP B CH2 1 ATOM 1981 N N . TYR B 2 58 ? 41.591 54.588 -2.888 1.00 114.40 ? 278 TYR B N 1 ATOM 1982 C CA . TYR B 2 58 ? 42.473 55.421 -2.064 1.00 114.54 ? 278 TYR B CA 1 ATOM 1983 C C . TYR B 2 58 ? 43.773 54.618 -1.886 1.00 113.88 ? 278 TYR B C 1 ATOM 1984 O O . TYR B 2 58 ? 43.825 53.406 -2.129 1.00 106.41 ? 278 TYR B O 1 ATOM 1985 C CB . TYR B 2 58 ? 41.863 55.723 -0.671 1.00 117.22 ? 278 TYR B CB 1 ATOM 1986 C CG . TYR B 2 58 ? 40.395 56.111 -0.658 1.00 123.79 ? 278 TYR B CG 1 ATOM 1987 C CD1 . TYR B 2 58 ? 39.442 55.339 -1.329 1.00 126.95 ? 278 TYR B CD1 1 ATOM 1988 C CD2 . TYR B 2 58 ? 39.944 57.233 0.040 1.00 130.30 ? 278 TYR B CD2 1 ATOM 1989 C CE1 . TYR B 2 58 ? 38.094 55.683 -1.335 1.00 128.30 ? 278 TYR B CE1 1 ATOM 1990 C CE2 . TYR B 2 58 ? 38.586 57.583 0.046 1.00 131.50 ? 278 TYR B CE2 1 ATOM 1991 C CZ . TYR B 2 58 ? 37.669 56.798 -0.647 1.00 129.73 ? 278 TYR B CZ 1 ATOM 1992 O OH . TYR B 2 58 ? 36.327 57.092 -0.687 1.00 127.35 ? 278 TYR B OH 1 ATOM 1993 N N . VAL B 2 59 ? 44.835 55.309 -1.502 1.00 121.25 ? 279 VAL B N 1 ATOM 1994 C CA . VAL B 2 59 ? 46.025 54.637 -0.989 1.00 128.12 ? 279 VAL B CA 1 ATOM 1995 C C . VAL B 2 59 ? 46.208 55.158 0.430 1.00 137.16 ? 279 VAL B C 1 ATOM 1996 O O . VAL B 2 59 ? 46.469 56.362 0.632 1.00 134.45 ? 279 VAL B O 1 ATOM 1997 C CB . VAL B 2 59 ? 47.312 54.797 -1.878 1.00 122.13 ? 279 VAL B CB 1 ATOM 1998 C CG1 . VAL B 2 59 ? 47.069 54.223 -3.274 1.00 110.22 ? 279 VAL B CG1 1 ATOM 1999 C CG2 . VAL B 2 59 ? 47.842 56.240 -1.927 1.00 116.40 ? 279 VAL B CG2 1 ATOM 2000 N N . ASP B 2 60 ? 46.012 54.266 1.407 1.00 135.91 ? 280 ASP B N 1 ATOM 2001 C CA . ASP B 2 60 ? 46.097 54.653 2.814 1.00 138.08 ? 280 ASP B CA 1 ATOM 2002 C C . ASP B 2 60 ? 44.933 55.581 3.218 1.00 143.10 ? 280 ASP B C 1 ATOM 2003 O O . ASP B 2 60 ? 45.111 56.487 4.043 1.00 142.81 ? 280 ASP B O 1 ATOM 2004 C CB . ASP B 2 60 ? 47.467 55.309 3.114 1.00 129.08 ? 280 ASP B CB 1 ATOM 2005 C CG . ASP B 2 60 ? 48.586 54.291 3.294 1.00 124.53 ? 280 ASP B CG 1 ATOM 2006 O OD1 . ASP B 2 60 ? 48.379 53.099 2.949 1.00 117.21 ? 280 ASP B OD1 1 ATOM 2007 O OD2 . ASP B 2 60 ? 49.670 54.682 3.795 1.00 125.36 ? 280 ASP B OD2 1 ATOM 2008 N N . GLY B 2 61 ? 43.756 55.355 2.621 1.00 146.03 ? 281 GLY B N 1 ATOM 2009 C CA . GLY B 2 61 ? 42.543 56.143 2.917 1.00 155.92 ? 281 GLY B CA 1 ATOM 2010 C C . GLY B 2 61 ? 42.533 57.625 2.533 1.00 157.89 ? 281 GLY B C 1 ATOM 2011 O O . GLY B 2 61 ? 41.882 58.444 3.196 1.00 159.43 ? 281 GLY B O 1 ATOM 2012 N N . VAL B 2 62 ? 43.262 57.967 1.471 1.00 154.08 ? 282 VAL B N 1 ATOM 2013 C CA . VAL B 2 62 ? 43.287 59.323 0.903 1.00 149.48 ? 282 VAL B CA 1 ATOM 2014 C C . VAL B 2 62 ? 43.157 59.154 -0.626 1.00 144.57 ? 282 VAL B C 1 ATOM 2015 O O . VAL B 2 62 ? 43.833 58.320 -1.224 1.00 137.26 ? 282 VAL B O 1 ATOM 2016 C CB . VAL B 2 62 ? 44.533 60.137 1.389 1.00 146.42 ? 282 VAL B CB 1 ATOM 2017 C CG1 . VAL B 2 62 ? 44.899 61.253 0.425 1.00 143.43 ? 282 VAL B CG1 1 ATOM 2018 C CG2 . VAL B 2 62 ? 44.307 60.714 2.789 1.00 145.03 ? 282 VAL B CG2 1 ATOM 2019 N N . GLU B 2 63 ? 42.278 59.947 -1.238 1.00 150.28 ? 283 GLU B N 1 ATOM 2020 C CA . GLU B 2 63 ? 41.675 59.650 -2.553 1.00 151.98 ? 283 GLU B CA 1 ATOM 2021 C C . GLU B 2 63 ? 42.388 60.163 -3.835 1.00 149.21 ? 283 GLU B C 1 ATOM 2022 O O . GLU B 2 63 ? 42.590 61.369 -3.982 1.00 151.91 ? 283 GLU B O 1 ATOM 2023 C CB . GLU B 2 63 ? 40.214 60.152 -2.520 1.00 160.36 ? 283 GLU B CB 1 ATOM 2024 C CG . GLU B 2 63 ? 39.347 59.813 -3.730 1.00 164.55 ? 283 GLU B CG 1 ATOM 2025 C CD . GLU B 2 63 ? 39.346 58.331 -4.072 1.00 162.04 ? 283 GLU B CD 1 ATOM 2026 O OE1 . GLU B 2 63 ? 40.154 57.575 -3.488 1.00 153.22 ? 283 GLU B OE1 1 ATOM 2027 O OE2 . GLU B 2 63 ? 38.535 57.923 -4.932 1.00 165.65 -1 283 GLU B OE2 1 ATOM 2028 N N . VAL B 2 64 ? 42.739 59.265 -4.768 1.00 146.08 ? 284 VAL B N 1 ATOM 2029 C CA . VAL B 2 64 ? 43.222 59.697 -6.113 1.00 147.38 ? 284 VAL B CA 1 ATOM 2030 C C . VAL B 2 64 ? 42.487 59.047 -7.324 1.00 144.69 ? 284 VAL B C 1 ATOM 2031 O O . VAL B 2 64 ? 41.896 57.950 -7.195 1.00 124.69 ? 284 VAL B O 1 ATOM 2032 C CB . VAL B 2 64 ? 44.776 59.640 -6.298 1.00 150.06 ? 284 VAL B CB 1 ATOM 2033 C CG1 . VAL B 2 64 ? 45.273 60.924 -6.970 1.00 143.98 ? 284 VAL B CG1 1 ATOM 2034 C CG2 . VAL B 2 64 ? 45.514 59.410 -4.980 1.00 142.20 ? 284 VAL B CG2 1 ATOM 2035 N N . HIS B 2 65 ? 42.549 59.735 -8.484 1.00 145.58 ? 285 HIS B N 1 ATOM 2036 C CA . HIS B 2 65 ? 41.727 59.436 -9.692 1.00 140.18 ? 285 HIS B CA 1 ATOM 2037 C C . HIS B 2 65 ? 42.544 59.424 -10.989 1.00 138.23 ? 285 HIS B C 1 ATOM 2038 O O . HIS B 2 65 ? 42.716 60.449 -11.654 1.00 138.69 ? 285 HIS B O 1 ATOM 2039 C CB . HIS B 2 65 ? 40.585 60.443 -9.832 1.00 133.30 ? 285 HIS B CB 1 ATOM 2040 C CG . HIS B 2 65 ? 40.361 61.269 -8.605 1.00 131.66 ? 285 HIS B CG 1 ATOM 2041 N ND1 . HIS B 2 65 ? 39.237 61.138 -7.814 1.00 128.80 ? 285 HIS B ND1 1 ATOM 2042 C CD2 . HIS B 2 65 ? 41.128 62.223 -8.021 1.00 128.74 ? 285 HIS B CD2 1 ATOM 2043 C CE1 . HIS B 2 65 ? 39.316 61.988 -6.803 1.00 131.33 ? 285 HIS B CE1 1 ATOM 2044 N NE2 . HIS B 2 65 ? 40.455 62.655 -6.904 1.00 130.86 ? 285 HIS B NE2 1 ATOM 2045 N N . ASN B 2 66 ? 43.032 58.236 -11.329 1.00 133.94 ? 286 ASN B N 1 ATOM 2046 C CA . ASN B 2 66 ? 43.970 58.023 -12.422 1.00 130.28 ? 286 ASN B CA 1 ATOM 2047 C C . ASN B 2 66 ? 43.927 56.548 -12.721 1.00 124.34 ? 286 ASN B C 1 ATOM 2048 O O . ASN B 2 66 ? 44.774 56.007 -13.440 1.00 129.15 ? 286 ASN B O 1 ATOM 2049 C CB . ASN B 2 66 ? 45.372 58.380 -11.977 1.00 126.94 ? 286 ASN B CB 1 ATOM 2050 C CG . ASN B 2 66 ? 45.663 57.867 -10.595 1.00 119.82 ? 286 ASN B CG 1 ATOM 2051 O OD1 . ASN B 2 66 ? 45.066 58.325 -9.628 1.00 116.37 ? 286 ASN B OD1 1 ATOM 2052 N ND2 . ASN B 2 66 ? 46.555 56.894 -10.494 1.00 118.54 ? 286 ASN B ND2 1 ATOM 2053 N N . ALA B 2 67 ? 42.949 55.896 -12.117 1.00 113.78 ? 287 ALA B N 1 ATOM 2054 C CA . ALA B 2 67 ? 42.560 54.584 -12.532 1.00 111.50 ? 287 ALA B CA 1 ATOM 2055 C C . ALA B 2 67 ? 42.016 54.625 -13.968 1.00 116.04 ? 287 ALA B C 1 ATOM 2056 O O . ALA B 2 67 ? 41.192 55.477 -14.301 1.00 113.44 ? 287 ALA B O 1 ATOM 2057 C CB . ALA B 2 67 ? 41.502 54.069 -11.586 1.00 112.53 ? 287 ALA B CB 1 ATOM 2058 N N . LYS B 2 68 ? 42.520 53.718 -14.810 1.00 121.29 ? 288 LYS B N 1 ATOM 2059 C CA . LYS B 2 68 ? 41.931 53.376 -16.120 1.00 123.17 ? 288 LYS B CA 1 ATOM 2060 C C . LYS B 2 68 ? 40.742 52.398 -15.938 1.00 129.40 ? 288 LYS B C 1 ATOM 2061 O O . LYS B 2 68 ? 40.426 52.019 -14.800 1.00 126.81 ? 288 LYS B O 1 ATOM 2062 C CB . LYS B 2 68 ? 42.997 52.748 -17.026 1.00 119.48 ? 288 LYS B CB 1 ATOM 2063 C CG . LYS B 2 68 ? 43.552 53.665 -18.106 1.00 123.77 ? 288 LYS B CG 1 ATOM 2064 C CD . LYS B 2 68 ? 42.577 53.769 -19.279 1.00 127.04 ? 288 LYS B CD 1 ATOM 2065 C CE . LYS B 2 68 ? 43.242 54.354 -20.513 1.00 126.33 ? 288 LYS B CE 1 ATOM 2066 N NZ . LYS B 2 68 ? 42.244 54.565 -21.589 1.00 127.59 ? 288 LYS B NZ 1 ATOM 2067 N N . THR B 2 69 ? 40.098 51.983 -17.041 1.00 133.15 ? 289 THR B N 1 ATOM 2068 C CA . THR B 2 69 ? 38.830 51.204 -16.977 1.00 129.53 ? 289 THR B CA 1 ATOM 2069 C C . THR B 2 69 ? 38.611 50.223 -18.170 1.00 134.12 ? 289 THR B C 1 ATOM 2070 O O . THR B 2 69 ? 37.706 50.419 -18.986 1.00 135.22 ? 289 THR B O 1 ATOM 2071 C CB . THR B 2 69 ? 37.636 52.178 -16.723 1.00 129.71 ? 289 THR B CB 1 ATOM 2072 O OG1 . THR B 2 69 ? 37.710 52.668 -15.372 1.00 123.96 ? 289 THR B OG1 1 ATOM 2073 C CG2 . THR B 2 69 ? 36.250 51.531 -16.955 1.00 130.07 ? 289 THR B CG2 1 ATOM 2074 N N . LYS B 2 70 ? 39.419 49.151 -18.205 1.00 141.23 ? 290 LYS B N 1 ATOM 2075 C CA . LYS B 2 70 ? 39.688 48.264 -19.396 1.00 154.73 ? 290 LYS B CA 1 ATOM 2076 C C . LYS B 2 70 ? 38.859 48.357 -20.732 1.00 164.99 ? 290 LYS B C 1 ATOM 2077 O O . LYS B 2 70 ? 37.631 48.541 -20.701 1.00 168.49 ? 290 LYS B O 1 ATOM 2078 C CB . LYS B 2 70 ? 39.874 46.803 -18.957 1.00 146.22 ? 290 LYS B CB 1 ATOM 2079 C CG . LYS B 2 70 ? 41.328 46.378 -18.790 1.00 138.13 ? 290 LYS B CG 1 ATOM 2080 C CD . LYS B 2 70 ? 41.495 44.895 -19.107 1.00 139.01 ? 290 LYS B CD 1 ATOM 2081 C CE . LYS B 2 70 ? 41.232 44.003 -17.896 1.00 133.36 ? 290 LYS B CE 1 ATOM 2082 N NZ . LYS B 2 70 ? 40.222 42.929 -18.133 1.00 125.49 ? 290 LYS B NZ 1 ATOM 2083 N N . PRO B 2 71 ? 39.542 48.187 -21.904 1.00 169.50 ? 291 PRO B N 1 ATOM 2084 C CA . PRO B 2 71 ? 38.903 48.302 -23.244 1.00 169.63 ? 291 PRO B CA 1 ATOM 2085 C C . PRO B 2 71 ? 37.742 47.337 -23.474 1.00 164.03 ? 291 PRO B C 1 ATOM 2086 O O . PRO B 2 71 ? 36.588 47.767 -23.535 1.00 163.42 ? 291 PRO B O 1 ATOM 2087 C CB . PRO B 2 71 ? 40.044 47.969 -24.221 1.00 173.34 ? 291 PRO B CB 1 ATOM 2088 C CG . PRO B 2 71 ? 41.306 48.217 -23.455 1.00 171.54 ? 291 PRO B CG 1 ATOM 2089 C CD . PRO B 2 71 ? 40.995 47.914 -22.015 1.00 165.46 ? 291 PRO B CD 1 ATOM 2090 N N . ASN B 2 77 ? 28.696 36.037 -20.802 1.00 162.35 ? 297 ASN B N 1 ATOM 2091 C CA . ASN B 2 77 ? 27.857 34.839 -20.893 1.00 173.26 ? 297 ASN B CA 1 ATOM 2092 C C . ASN B 2 77 ? 26.439 35.155 -20.433 1.00 174.11 ? 297 ASN B C 1 ATOM 2093 O O . ASN B 2 77 ? 25.502 35.150 -21.237 1.00 179.15 ? 297 ASN B O 1 ATOM 2094 C CB . ASN B 2 77 ? 28.421 33.686 -20.049 1.00 180.69 ? 297 ASN B CB 1 ATOM 2095 C CG . ASN B 2 77 ? 29.916 33.815 -19.780 1.00 184.73 ? 297 ASN B CG 1 ATOM 2096 O OD1 . ASN B 2 77 ? 30.612 34.621 -20.415 1.00 187.76 ? 297 ASN B OD1 1 ATOM 2097 N ND2 . ASN B 2 77 ? 30.420 33.013 -18.824 1.00 182.74 ? 297 ASN B ND2 1 ATOM 2098 N N . SER B 2 78 ? 26.302 35.427 -19.133 1.00 169.83 ? 298 SER B N 1 ATOM 2099 C CA . SER B 2 78 ? 25.062 35.929 -18.534 1.00 168.61 ? 298 SER B CA 1 ATOM 2100 C C . SER B 2 78 ? 25.223 37.395 -18.083 1.00 167.61 ? 298 SER B C 1 ATOM 2101 O O . SER B 2 78 ? 24.240 38.125 -17.929 1.00 166.05 ? 298 SER B O 1 ATOM 2102 C CB . SER B 2 78 ? 24.639 35.041 -17.362 1.00 165.69 ? 298 SER B CB 1 ATOM 2103 O OG . SER B 2 78 ? 23.230 35.031 -17.206 1.00 167.41 ? 298 SER B OG 1 ATOM 2104 N N . THR B 2 79 ? 26.471 37.819 -17.879 1.00 173.37 ? 299 THR B N 1 ATOM 2105 C CA . THR B 2 79 ? 26.787 39.222 -17.567 1.00 168.92 ? 299 THR B CA 1 ATOM 2106 C C . THR B 2 79 ? 28.148 39.687 -18.129 1.00 167.23 ? 299 THR B C 1 ATOM 2107 O O . THR B 2 79 ? 28.988 38.883 -18.548 1.00 162.75 ? 299 THR B O 1 ATOM 2108 C CB . THR B 2 79 ? 26.677 39.520 -16.045 1.00 159.86 ? 299 THR B CB 1 ATOM 2109 O OG1 . THR B 2 79 ? 26.948 40.905 -15.804 1.00 156.57 ? 299 THR B OG1 1 ATOM 2110 C CG2 . THR B 2 79 ? 27.646 38.664 -15.238 1.00 152.48 ? 299 THR B CG2 1 ATOM 2111 N N . TYR B 2 80 ? 28.324 41.002 -18.176 1.00 169.21 ? 300 TYR B N 1 ATOM 2112 C CA . TYR B 2 80 ? 29.640 41.590 -18.336 1.00 168.94 ? 300 TYR B CA 1 ATOM 2113 C C . TYR B 2 80 ? 30.203 41.774 -16.924 1.00 165.75 ? 300 TYR B C 1 ATOM 2114 O O . TYR B 2 80 ? 29.504 42.295 -16.039 1.00 156.41 ? 300 TYR B O 1 ATOM 2115 C CB . TYR B 2 80 ? 29.569 42.925 -19.098 1.00 167.11 ? 300 TYR B CB 1 ATOM 2116 C CG . TYR B 2 80 ? 28.287 43.734 -18.882 1.00 170.59 ? 300 TYR B CG 1 ATOM 2117 C CD1 . TYR B 2 80 ? 28.184 44.671 -17.839 1.00 163.76 ? 300 TYR B CD1 1 ATOM 2118 C CD2 . TYR B 2 80 ? 27.183 43.575 -19.733 1.00 170.04 ? 300 TYR B CD2 1 ATOM 2119 C CE1 . TYR B 2 80 ? 27.024 45.416 -17.647 1.00 159.90 ? 300 TYR B CE1 1 ATOM 2120 C CE2 . TYR B 2 80 ? 26.023 44.317 -19.548 1.00 168.28 ? 300 TYR B CE2 1 ATOM 2121 C CZ . TYR B 2 80 ? 25.945 45.230 -18.506 1.00 165.39 ? 300 TYR B CZ 1 ATOM 2122 O OH . TYR B 2 80 ? 24.789 45.961 -18.329 1.00 162.77 ? 300 TYR B OH 1 ATOM 2123 N N . ARG B 2 81 ? 31.438 41.296 -16.712 1.00 166.92 ? 301 ARG B N 1 ATOM 2124 C CA . ARG B 2 81 ? 32.202 41.530 -15.456 1.00 159.23 ? 301 ARG B CA 1 ATOM 2125 C C . ARG B 2 81 ? 33.255 42.662 -15.570 1.00 154.62 ? 301 ARG B C 1 ATOM 2126 O O . ARG B 2 81 ? 34.398 42.435 -15.967 1.00 154.34 ? 301 ARG B O 1 ATOM 2127 C CB . ARG B 2 81 ? 32.769 40.213 -14.847 1.00 155.92 ? 301 ARG B CB 1 ATOM 2128 C CG . ARG B 2 81 ? 33.821 39.426 -15.630 1.00 150.87 ? 301 ARG B CG 1 ATOM 2129 C CD . ARG B 2 81 ? 35.214 39.524 -15.001 1.00 147.68 ? 301 ARG B CD 1 ATOM 2130 N NE . ARG B 2 81 ? 35.991 40.635 -15.570 1.00 139.36 ? 301 ARG B NE 1 ATOM 2131 C CZ . ARG B 2 81 ? 37.276 40.906 -15.325 1.00 129.22 ? 301 ARG B CZ 1 ATOM 2132 N NH1 . ARG B 2 81 ? 37.997 40.161 -14.502 1.00 121.38 ? 301 ARG B NH1 1 ATOM 2133 N NH2 . ARG B 2 81 ? 37.850 41.940 -15.916 1.00 128.72 ? 301 ARG B NH2 1 ATOM 2134 N N . VAL B 2 82 ? 32.836 43.876 -15.187 1.00 152.61 ? 302 VAL B N 1 ATOM 2135 C CA . VAL B 2 82 ? 33.515 45.165 -15.495 1.00 150.64 ? 302 VAL B CA 1 ATOM 2136 C C . VAL B 2 82 ? 34.827 45.462 -14.715 1.00 149.68 ? 302 VAL B C 1 ATOM 2137 O O . VAL B 2 82 ? 34.861 45.442 -13.478 1.00 144.74 ? 302 VAL B O 1 ATOM 2138 C CB . VAL B 2 82 ? 32.472 46.338 -15.492 1.00 146.20 ? 302 VAL B CB 1 ATOM 2139 C CG1 . VAL B 2 82 ? 32.904 47.541 -14.653 1.00 139.35 ? 302 VAL B CG1 1 ATOM 2140 C CG2 . VAL B 2 82 ? 32.094 46.728 -16.923 1.00 152.49 ? 302 VAL B CG2 1 ATOM 2141 N N . VAL B 2 83 ? 35.895 45.747 -15.472 1.00 151.11 ? 303 VAL B N 1 ATOM 2142 C CA . VAL B 2 83 ? 37.275 45.849 -14.947 1.00 141.43 ? 303 VAL B CA 1 ATOM 2143 C C . VAL B 2 83 ? 37.592 47.226 -14.328 1.00 137.95 ? 303 VAL B C 1 ATOM 2144 O O . VAL B 2 83 ? 36.688 47.914 -13.822 1.00 128.53 ? 303 VAL B O 1 ATOM 2145 C CB . VAL B 2 83 ? 38.347 45.501 -16.030 1.00 139.74 ? 303 VAL B CB 1 ATOM 2146 C CG1 . VAL B 2 83 ? 39.488 44.712 -15.401 1.00 133.21 ? 303 VAL B CG1 1 ATOM 2147 C CG2 . VAL B 2 83 ? 37.743 44.749 -17.220 1.00 136.02 ? 303 VAL B CG2 1 ATOM 2148 N N . SER B 2 84 ? 38.881 47.596 -14.378 1.00 136.33 ? 304 SER B N 1 ATOM 2149 C CA . SER B 2 84 ? 39.432 48.852 -13.846 1.00 135.58 ? 304 SER B CA 1 ATOM 2150 C C . SER B 2 84 ? 40.903 48.669 -13.396 1.00 139.45 ? 304 SER B C 1 ATOM 2151 O O . SER B 2 84 ? 41.202 47.794 -12.568 1.00 138.00 ? 304 SER B O 1 ATOM 2152 C CB . SER B 2 84 ? 38.578 49.380 -12.691 1.00 130.20 ? 304 SER B CB 1 ATOM 2153 O OG . SER B 2 84 ? 39.229 50.441 -12.021 1.00 130.58 ? 304 SER B OG 1 ATOM 2154 N N . VAL B 2 85 ? 41.807 49.504 -13.928 1.00 131.41 ? 305 VAL B N 1 ATOM 2155 C CA . VAL B 2 85 ? 43.261 49.338 -13.719 1.00 119.00 ? 305 VAL B CA 1 ATOM 2156 C C . VAL B 2 85 ? 43.973 50.555 -13.109 1.00 120.66 ? 305 VAL B C 1 ATOM 2157 O O . VAL B 2 85 ? 43.773 51.693 -13.554 1.00 127.29 ? 305 VAL B O 1 ATOM 2158 C CB . VAL B 2 85 ? 43.960 48.913 -15.023 1.00 115.07 ? 305 VAL B CB 1 ATOM 2159 C CG1 . VAL B 2 85 ? 45.469 49.088 -14.932 1.00 107.55 ? 305 VAL B CG1 1 ATOM 2160 C CG2 . VAL B 2 85 ? 43.591 47.479 -15.360 1.00 115.78 ? 305 VAL B CG2 1 ATOM 2161 N N . LEU B 2 86 ? 44.792 50.297 -12.085 1.00 111.26 ? 306 LEU B N 1 ATOM 2162 C CA . LEU B 2 86 ? 45.578 51.330 -11.420 1.00 106.37 ? 306 LEU B CA 1 ATOM 2163 C C . LEU B 2 86 ? 47.062 51.004 -11.515 1.00 111.68 ? 306 LEU B C 1 ATOM 2164 O O . LEU B 2 86 ? 47.458 49.841 -11.611 1.00 121.57 ? 306 LEU B O 1 ATOM 2165 C CB . LEU B 2 86 ? 45.166 51.514 -9.951 1.00 93.93 ? 306 LEU B CB 1 ATOM 2166 C CG . LEU B 2 86 ? 45.621 52.784 -9.222 1.00 93.85 ? 306 LEU B CG 1 ATOM 2167 C CD1 . LEU B 2 86 ? 44.821 54.009 -9.633 1.00 102.94 ? 306 LEU B CD1 1 ATOM 2168 C CD2 . LEU B 2 86 ? 45.526 52.656 -7.724 1.00 89.79 ? 306 LEU B CD2 1 ATOM 2169 N N . THR B 2 87 ? 47.873 52.059 -11.517 1.00 114.72 ? 307 THR B N 1 ATOM 2170 C CA . THR B 2 87 ? 49.313 51.948 -11.394 1.00 102.01 ? 307 THR B CA 1 ATOM 2171 C C . THR B 2 87 ? 49.719 52.330 -9.980 1.00 97.97 ? 307 THR B C 1 ATOM 2172 O O . THR B 2 87 ? 49.134 53.228 -9.363 1.00 100.65 ? 307 THR B O 1 ATOM 2173 C CB . THR B 2 87 ? 50.010 52.849 -12.402 1.00 96.66 ? 307 THR B CB 1 ATOM 2174 O OG1 . THR B 2 87 ? 49.655 52.406 -13.703 1.00 97.45 ? 307 THR B OG1 1 ATOM 2175 C CG2 . THR B 2 87 ? 51.502 52.737 -12.275 1.00 97.52 ? 307 THR B CG2 1 ATOM 2176 N N . VAL B 2 88 ? 50.718 51.632 -9.470 1.00 87.82 ? 308 VAL B N 1 ATOM 2177 C CA . VAL B 2 88 ? 51.134 51.833 -8.108 1.00 89.20 ? 308 VAL B CA 1 ATOM 2178 C C . VAL B 2 88 ? 52.599 52.279 -8.113 1.00 86.03 ? 308 VAL B C 1 ATOM 2179 O O . VAL B 2 88 ? 53.396 51.716 -8.859 1.00 86.69 ? 308 VAL B O 1 ATOM 2180 C CB . VAL B 2 88 ? 50.911 50.525 -7.302 1.00 90.03 ? 308 VAL B CB 1 ATOM 2181 C CG1 . VAL B 2 88 ? 49.696 49.793 -7.849 1.00 89.36 ? 308 VAL B CG1 1 ATOM 2182 C CG2 . VAL B 2 88 ? 52.120 49.608 -7.340 1.00 85.94 ? 308 VAL B CG2 1 ATOM 2183 N N . LEU B 2 89 ? 52.954 53.281 -7.307 1.00 79.46 ? 309 LEU B N 1 ATOM 2184 C CA . LEU B 2 89 ? 54.344 53.727 -7.283 1.00 77.86 ? 309 LEU B CA 1 ATOM 2185 C C . LEU B 2 89 ? 55.181 52.582 -6.757 1.00 76.37 ? 309 LEU B C 1 ATOM 2186 O O . LEU B 2 89 ? 54.772 51.887 -5.843 1.00 78.79 ? 309 LEU B O 1 ATOM 2187 C CB . LEU B 2 89 ? 54.548 54.987 -6.431 1.00 77.93 ? 309 LEU B CB 1 ATOM 2188 C CG . LEU B 2 89 ? 53.549 56.173 -6.423 1.00 79.40 ? 309 LEU B CG 1 ATOM 2189 C CD1 . LEU B 2 89 ? 54.163 57.368 -5.716 1.00 78.28 ? 309 LEU B CD1 1 ATOM 2190 C CD2 . LEU B 2 89 ? 52.957 56.586 -7.774 1.00 74.78 ? 309 LEU B CD2 1 ATOM 2191 N N . HIS B 2 90 ? 56.344 52.359 -7.350 1.00 77.86 ? 310 HIS B N 1 ATOM 2192 C CA . HIS B 2 90 ? 57.155 51.217 -6.967 1.00 74.01 ? 310 HIS B CA 1 ATOM 2193 C C . HIS B 2 90 ? 57.368 51.237 -5.474 1.00 77.19 ? 310 HIS B C 1 ATOM 2194 O O . HIS B 2 90 ? 57.257 50.205 -4.820 1.00 77.46 ? 310 HIS B O 1 ATOM 2195 C CB . HIS B 2 90 ? 58.510 51.204 -7.674 1.00 72.74 ? 310 HIS B CB 1 ATOM 2196 C CG . HIS B 2 90 ? 58.439 50.769 -9.102 1.00 75.14 ? 310 HIS B CG 1 ATOM 2197 N ND1 . HIS B 2 90 ? 58.164 51.647 -10.134 1.00 77.98 ? 310 HIS B ND1 1 ATOM 2198 C CD2 . HIS B 2 90 ? 58.620 49.555 -9.672 1.00 73.81 ? 310 HIS B CD2 1 ATOM 2199 C CE1 . HIS B 2 90 ? 58.156 50.978 -11.273 1.00 78.60 ? 310 HIS B CE1 1 ATOM 2200 N NE2 . HIS B 2 90 ? 58.427 49.710 -11.020 1.00 76.29 ? 310 HIS B NE2 1 ATOM 2201 N N . GLN B 2 91 ? 57.677 52.420 -4.957 1.00 84.83 ? 311 GLN B N 1 ATOM 2202 C CA . GLN B 2 91 ? 57.980 52.645 -3.545 1.00 92.28 ? 311 GLN B CA 1 ATOM 2203 C C . GLN B 2 91 ? 56.770 52.366 -2.667 1.00 92.03 ? 311 GLN B C 1 ATOM 2204 O O . GLN B 2 91 ? 56.913 51.759 -1.605 1.00 89.82 ? 311 GLN B O 1 ATOM 2205 C CB . GLN B 2 91 ? 58.446 54.092 -3.363 1.00 102.23 ? 311 GLN B CB 1 ATOM 2206 C CG . GLN B 2 91 ? 57.513 55.116 -4.008 1.00 113.03 ? 311 GLN B CG 1 ATOM 2207 C CD . GLN B 2 91 ? 58.192 55.992 -5.047 1.00 128.93 ? 311 GLN B CD 1 ATOM 2208 O OE1 . GLN B 2 91 ? 57.530 56.711 -5.816 1.00 139.25 ? 311 GLN B OE1 1 ATOM 2209 N NE2 . GLN B 2 91 ? 59.516 55.934 -5.086 1.00 133.96 ? 311 GLN B NE2 1 ATOM 2210 N N . ASP B 2 92 ? 55.590 52.809 -3.138 1.00 93.61 ? 312 ASP B N 1 ATOM 2211 C CA . ASP B 2 92 ? 54.293 52.601 -2.463 1.00 91.23 ? 312 ASP B CA 1 ATOM 2212 C C . ASP B 2 92 ? 54.087 51.107 -2.208 1.00 89.14 ? 312 ASP B C 1 ATOM 2213 O O . ASP B 2 92 ? 53.831 50.682 -1.088 1.00 93.96 ? 312 ASP B O 1 ATOM 2214 C CB . ASP B 2 92 ? 53.094 53.119 -3.301 1.00 89.98 ? 312 ASP B CB 1 ATOM 2215 C CG . ASP B 2 92 ? 52.883 54.652 -3.239 1.00 91.76 ? 312 ASP B CG 1 ATOM 2216 O OD1 . ASP B 2 92 ? 53.773 55.380 -2.726 1.00 88.39 ? 312 ASP B OD1 1 ATOM 2217 O OD2 . ASP B 2 92 ? 51.801 55.117 -3.732 1.00 86.13 -1 312 ASP B OD2 1 ATOM 2218 N N . TRP B 2 93 ? 54.202 50.310 -3.255 1.00 84.14 ? 313 TRP B N 1 ATOM 2219 C CA . TRP B 2 93 ? 53.959 48.893 -3.126 1.00 84.06 ? 313 TRP B CA 1 ATOM 2220 C C . TRP B 2 93 ? 55.065 48.133 -2.413 1.00 85.24 ? 313 TRP B C 1 ATOM 2221 O O . TRP B 2 93 ? 54.834 47.067 -1.870 1.00 96.35 ? 313 TRP B O 1 ATOM 2222 C CB . TRP B 2 93 ? 53.753 48.294 -4.487 1.00 84.89 ? 313 TRP B CB 1 ATOM 2223 C CG . TRP B 2 93 ? 53.606 46.857 -4.430 1.00 87.29 ? 313 TRP B CG 1 ATOM 2224 C CD1 . TRP B 2 93 ? 54.575 45.922 -4.648 1.00 85.50 ? 313 TRP B CD1 1 ATOM 2225 C CD2 . TRP B 2 93 ? 52.422 46.145 -4.108 1.00 95.12 ? 313 TRP B CD2 1 ATOM 2226 N NE1 . TRP B 2 93 ? 54.062 44.663 -4.498 1.00 88.26 ? 313 TRP B NE1 1 ATOM 2227 C CE2 . TRP B 2 93 ? 52.738 44.767 -4.164 1.00 95.48 ? 313 TRP B CE2 1 ATOM 2228 C CE3 . TRP B 2 93 ? 51.118 46.532 -3.786 1.00 97.93 ? 313 TRP B CE3 1 ATOM 2229 C CZ2 . TRP B 2 93 ? 51.796 43.778 -3.925 1.00 97.89 ? 313 TRP B CZ2 1 ATOM 2230 C CZ3 . TRP B 2 93 ? 50.193 45.554 -3.543 1.00 104.33 ? 313 TRP B CZ3 1 ATOM 2231 C CH2 . TRP B 2 93 ? 50.533 44.186 -3.613 1.00 104.16 ? 313 TRP B CH2 1 ATOM 2232 N N . LEU B 2 94 ? 56.274 48.651 -2.404 1.00 85.18 ? 314 LEU B N 1 ATOM 2233 C CA . LEU B 2 94 ? 57.314 47.945 -1.682 1.00 86.76 ? 314 LEU B CA 1 ATOM 2234 C C . LEU B 2 94 ? 57.248 48.323 -0.240 1.00 95.42 ? 314 LEU B C 1 ATOM 2235 O O . LEU B 2 94 ? 57.698 47.561 0.609 1.00 106.79 ? 314 LEU B O 1 ATOM 2236 C CB . LEU B 2 94 ? 58.702 48.221 -2.251 1.00 81.27 ? 314 LEU B CB 1 ATOM 2237 C CG . LEU B 2 94 ? 58.822 47.541 -3.613 1.00 79.08 ? 314 LEU B CG 1 ATOM 2238 C CD1 . LEU B 2 94 ? 60.000 48.063 -4.436 1.00 74.70 ? 314 LEU B CD1 1 ATOM 2239 C CD2 . LEU B 2 94 ? 58.798 46.017 -3.476 1.00 74.35 ? 314 LEU B CD2 1 ATOM 2240 N N . ASN B 2 95 ? 56.683 49.494 0.045 1.00 98.53 ? 315 ASN B N 1 ATOM 2241 C CA . ASN B 2 95 ? 56.436 49.888 1.439 1.00 107.88 ? 315 ASN B CA 1 ATOM 2242 C C . ASN B 2 95 ? 55.006 49.485 1.918 1.00 111.20 ? 315 ASN B C 1 ATOM 2243 O O . ASN B 2 95 ? 54.441 50.056 2.866 1.00 101.75 ? 315 ASN B O 1 ATOM 2244 C CB . ASN B 2 95 ? 56.793 51.365 1.634 1.00 106.61 ? 315 ASN B CB 1 ATOM 2245 C CG . ASN B 2 95 ? 58.182 51.695 1.092 1.00 109.44 ? 315 ASN B CG 1 ATOM 2246 O OD1 . ASN B 2 95 ? 58.986 50.792 0.871 1.00 110.96 ? 315 ASN B OD1 1 ATOM 2247 N ND2 . ASN B 2 95 ? 58.465 52.983 0.861 1.00 102.70 ? 315 ASN B ND2 1 ATOM 2248 N N . GLY B 2 96 ? 54.471 48.460 1.239 1.00 112.70 ? 316 GLY B N 1 ATOM 2249 C CA . GLY B 2 96 ? 53.136 47.886 1.448 1.00 117.13 ? 316 GLY B CA 1 ATOM 2250 C C . GLY B 2 96 ? 52.001 48.870 1.650 1.00 119.88 ? 316 GLY B C 1 ATOM 2251 O O . GLY B 2 96 ? 51.224 48.739 2.591 1.00 134.92 ? 316 GLY B O 1 ATOM 2252 N N . LYS B 2 97 ? 51.900 49.869 0.785 1.00 117.83 ? 317 LYS B N 1 ATOM 2253 C CA . LYS B 2 97 ? 50.836 50.848 0.932 1.00 113.65 ? 317 LYS B CA 1 ATOM 2254 C C . LYS B 2 97 ? 49.521 50.107 0.821 1.00 111.65 ? 317 LYS B C 1 ATOM 2255 O O . LYS B 2 97 ? 49.441 49.060 0.165 1.00 106.34 ? 317 LYS B O 1 ATOM 2256 C CB . LYS B 2 97 ? 50.957 51.981 -0.092 1.00 109.98 ? 317 LYS B CB 1 ATOM 2257 C CG . LYS B 2 97 ? 51.961 53.045 0.317 1.00 109.78 ? 317 LYS B CG 1 ATOM 2258 C CD . LYS B 2 97 ? 51.304 54.156 1.121 1.00 117.29 ? 317 LYS B CD 1 ATOM 2259 C CE . LYS B 2 97 ? 50.848 55.340 0.263 1.00 120.23 ? 317 LYS B CE 1 ATOM 2260 N NZ . LYS B 2 97 ? 51.940 56.338 -0.008 1.00 118.23 ? 317 LYS B NZ 1 ATOM 2261 N N . GLU B 2 98 ? 48.511 50.619 1.511 1.00 116.13 ? 318 GLU B N 1 ATOM 2262 C CA . GLU B 2 98 ? 47.240 49.935 1.548 1.00 124.89 ? 318 GLU B CA 1 ATOM 2263 C C . GLU B 2 98 ? 46.362 50.467 0.442 1.00 124.58 ? 318 GLU B C 1 ATOM 2264 O O . GLU B 2 98 ? 45.961 51.650 0.416 1.00 117.41 ? 318 GLU B O 1 ATOM 2265 C CB . GLU B 2 98 ? 46.618 49.956 2.950 1.00 137.28 ? 318 GLU B CB 1 ATOM 2266 C CG . GLU B 2 98 ? 47.531 49.221 3.936 1.00 147.14 ? 318 GLU B CG 1 ATOM 2267 C CD . GLU B 2 98 ? 46.913 48.935 5.289 1.00 155.61 ? 318 GLU B CD 1 ATOM 2268 O OE1 . GLU B 2 98 ? 47.577 49.246 6.311 1.00 148.99 ? 318 GLU B OE1 1 ATOM 2269 O OE2 . GLU B 2 98 ? 45.781 48.394 5.327 1.00 162.92 -1 318 GLU B OE2 1 ATOM 2270 N N . TYR B 2 99 ? 46.121 49.570 -0.506 1.00 121.97 ? 319 TYR B N 1 ATOM 2271 C CA . TYR B 2 99 ? 45.491 49.947 -1.740 1.00 123.86 ? 319 TYR B CA 1 ATOM 2272 C C . TYR B 2 99 ? 44.011 49.785 -1.632 1.00 124.08 ? 319 TYR B C 1 ATOM 2273 O O . TYR B 2 99 ? 43.470 48.798 -2.121 1.00 130.97 ? 319 TYR B O 1 ATOM 2274 C CB . TYR B 2 99 ? 46.079 49.170 -2.920 1.00 128.58 ? 319 TYR B CB 1 ATOM 2275 C CG . TYR B 2 99 ? 47.365 49.809 -3.391 1.00 133.96 ? 319 TYR B CG 1 ATOM 2276 C CD1 . TYR B 2 99 ? 48.594 49.464 -2.825 1.00 135.41 ? 319 TYR B CD1 1 ATOM 2277 C CD2 . TYR B 2 99 ? 47.349 50.805 -4.363 1.00 135.97 ? 319 TYR B CD2 1 ATOM 2278 C CE1 . TYR B 2 99 ? 49.771 50.080 -3.236 1.00 138.16 ? 319 TYR B CE1 1 ATOM 2279 C CE2 . TYR B 2 99 ? 48.518 51.426 -4.780 1.00 133.61 ? 319 TYR B CE2 1 ATOM 2280 C CZ . TYR B 2 99 ? 49.726 51.065 -4.217 1.00 132.40 ? 319 TYR B CZ 1 ATOM 2281 O OH . TYR B 2 99 ? 50.879 51.686 -4.649 1.00 124.60 ? 319 TYR B OH 1 ATOM 2282 N N . LYS B 2 100 ? 43.378 50.774 -0.989 1.00 120.52 ? 320 LYS B N 1 ATOM 2283 C CA . LYS B 2 100 ? 41.934 50.810 -0.747 1.00 121.66 ? 320 LYS B CA 1 ATOM 2284 C C . LYS B 2 100 ? 41.085 50.845 -2.045 1.00 120.45 ? 320 LYS B C 1 ATOM 2285 O O . LYS B 2 100 ? 41.078 51.846 -2.771 1.00 121.44 ? 320 LYS B O 1 ATOM 2286 C CB . LYS B 2 100 ? 41.584 51.999 0.179 1.00 133.99 ? 320 LYS B CB 1 ATOM 2287 C CG . LYS B 2 100 ? 40.356 51.760 1.065 1.00 153.03 ? 320 LYS B CG 1 ATOM 2288 C CD . LYS B 2 100 ? 39.522 53.015 1.345 1.00 161.62 ? 320 LYS B CD 1 ATOM 2289 C CE . LYS B 2 100 ? 39.831 53.683 2.684 1.00 162.67 ? 320 LYS B CE 1 ATOM 2290 N NZ . LYS B 2 100 ? 38.726 54.597 3.101 1.00 158.12 ? 320 LYS B NZ 1 ATOM 2291 N N . CYS B 2 101 ? 40.388 49.747 -2.351 1.00 115.70 ? 321 CYS B N 1 ATOM 2292 C CA . CYS B 2 101 ? 39.392 49.766 -3.427 1.00 116.16 ? 321 CYS B CA 1 ATOM 2293 C C . CYS B 2 101 ? 37.963 49.985 -2.849 1.00 125.85 ? 321 CYS B C 1 ATOM 2294 O O . CYS B 2 101 ? 37.674 49.526 -1.724 1.00 125.97 ? 321 CYS B O 1 ATOM 2295 C CB . CYS B 2 101 ? 39.475 48.508 -4.315 1.00 109.99 ? 321 CYS B CB 1 ATOM 2296 S SG . CYS B 2 101 ? 38.853 48.891 -5.966 1.00 109.52 ? 321 CYS B SG 1 ATOM 2297 N N . LYS B 2 102 ? 37.104 50.707 -3.596 1.00 128.66 ? 322 LYS B N 1 ATOM 2298 C CA . LYS B 2 102 ? 35.692 51.010 -3.203 1.00 135.18 ? 322 LYS B CA 1 ATOM 2299 C C . LYS B 2 102 ? 34.693 51.089 -4.382 1.00 137.83 ? 322 LYS B C 1 ATOM 2300 O O . LYS B 2 102 ? 34.682 52.053 -5.156 1.00 139.40 ? 322 LYS B O 1 ATOM 2301 C CB . LYS B 2 102 ? 35.593 52.296 -2.356 1.00 138.48 ? 322 LYS B CB 1 ATOM 2302 C CG . LYS B 2 102 ? 34.195 52.621 -1.831 1.00 135.87 ? 322 LYS B CG 1 ATOM 2303 C CD . LYS B 2 102 ? 34.061 54.086 -1.450 1.00 133.22 ? 322 LYS B CD 1 ATOM 2304 C CE . LYS B 2 102 ? 32.596 54.473 -1.375 1.00 137.40 ? 322 LYS B CE 1 ATOM 2305 N NZ . LYS B 2 102 ? 32.370 55.763 -0.670 1.00 139.48 ? 322 LYS B NZ 1 ATOM 2306 N N . VAL B 2 103 ? 33.839 50.073 -4.477 1.00 137.30 ? 323 VAL B N 1 ATOM 2307 C CA . VAL B 2 103 ? 32.858 49.959 -5.546 1.00 133.96 ? 323 VAL B CA 1 ATOM 2308 C C . VAL B 2 103 ? 31.444 50.195 -4.992 1.00 140.25 ? 323 VAL B C 1 ATOM 2309 O O . VAL B 2 103 ? 31.078 49.715 -3.907 1.00 133.52 ? 323 VAL B O 1 ATOM 2310 C CB . VAL B 2 103 ? 32.969 48.589 -6.254 1.00 130.64 ? 323 VAL B CB 1 ATOM 2311 C CG1 . VAL B 2 103 ? 32.081 48.530 -7.488 1.00 137.31 ? 323 VAL B CG1 1 ATOM 2312 C CG2 . VAL B 2 103 ? 34.411 48.307 -6.642 1.00 126.17 ? 323 VAL B CG2 1 ATOM 2313 N N . SER B 2 104 ? 30.655 50.951 -5.752 1.00 150.55 ? 324 SER B N 1 ATOM 2314 C CA . SER B 2 104 ? 29.309 51.341 -5.336 1.00 153.27 ? 324 SER B CA 1 ATOM 2315 C C . SER B 2 104 ? 28.253 51.124 -6.433 1.00 152.05 ? 324 SER B C 1 ATOM 2316 O O . SER B 2 104 ? 28.315 51.726 -7.508 1.00 151.67 ? 324 SER B O 1 ATOM 2317 C CB . SER B 2 104 ? 29.321 52.788 -4.825 1.00 149.96 ? 324 SER B CB 1 ATOM 2318 O OG . SER B 2 104 ? 30.167 52.911 -3.687 1.00 145.73 ? 324 SER B OG 1 ATOM 2319 N N . ASN B 2 105 ? 27.307 50.232 -6.143 1.00 153.17 ? 325 ASN B N 1 ATOM 2320 C CA . ASN B 2 105 ? 26.193 49.900 -7.031 1.00 152.11 ? 325 ASN B CA 1 ATOM 2321 C C . ASN B 2 105 ? 24.894 50.081 -6.238 1.00 158.94 ? 325 ASN B C 1 ATOM 2322 O O . ASN B 2 105 ? 24.926 50.213 -5.007 1.00 163.99 ? 325 ASN B O 1 ATOM 2323 C CB . ASN B 2 105 ? 26.339 48.445 -7.525 1.00 144.69 ? 325 ASN B CB 1 ATOM 2324 C CG . ASN B 2 105 ? 25.553 48.150 -8.798 1.00 140.82 ? 325 ASN B CG 1 ATOM 2325 O OD1 . ASN B 2 105 ? 24.830 47.154 -8.869 1.00 144.93 ? 325 ASN B OD1 1 ATOM 2326 N ND2 . ASN B 2 105 ? 25.707 48.994 -9.813 1.00 138.73 ? 325 ASN B ND2 1 ATOM 2327 N N . LYS B 2 106 ? 23.760 50.097 -6.934 1.00 159.08 ? 326 LYS B N 1 ATOM 2328 C CA . LYS B 2 106 ? 22.450 50.210 -6.286 1.00 156.77 ? 326 LYS B CA 1 ATOM 2329 C C . LYS B 2 106 ? 21.901 48.826 -5.874 1.00 155.70 ? 326 LYS B C 1 ATOM 2330 O O . LYS B 2 106 ? 20.853 48.733 -5.222 1.00 162.32 ? 326 LYS B O 1 ATOM 2331 C CB . LYS B 2 106 ? 21.467 50.985 -7.187 1.00 159.03 ? 326 LYS B CB 1 ATOM 2332 C CG . LYS B 2 106 ? 22.158 51.932 -8.170 1.00 159.31 ? 326 LYS B CG 1 ATOM 2333 C CD . LYS B 2 106 ? 21.432 53.259 -8.355 1.00 161.18 ? 326 LYS B CD 1 ATOM 2334 C CE . LYS B 2 106 ? 22.362 54.297 -8.981 1.00 158.80 ? 326 LYS B CE 1 ATOM 2335 N NZ . LYS B 2 106 ? 21.783 55.671 -8.999 1.00 156.93 ? 326 LYS B NZ 1 ATOM 2336 N N . ALA B 2 107 ? 22.627 47.765 -6.244 1.00 146.54 ? 327 ALA B N 1 ATOM 2337 C CA . ALA B 2 107 ? 22.284 46.382 -5.894 1.00 142.04 ? 327 ALA B CA 1 ATOM 2338 C C . ALA B 2 107 ? 22.985 45.941 -4.615 1.00 139.71 ? 327 ALA B C 1 ATOM 2339 O O . ALA B 2 107 ? 22.906 44.767 -4.245 1.00 141.39 ? 327 ALA B O 1 ATOM 2340 C CB . ALA B 2 107 ? 22.636 45.434 -7.040 1.00 139.48 ? 327 ALA B CB 1 ATOM 2341 N N . LEU B 2 108 ? 23.660 46.888 -3.951 1.00 136.45 ? 328 LEU B N 1 ATOM 2342 C CA . LEU B 2 108 ? 24.479 46.635 -2.739 1.00 136.58 ? 328 LEU B CA 1 ATOM 2343 C C . LEU B 2 108 ? 23.898 47.351 -1.471 1.00 144.44 ? 328 LEU B C 1 ATOM 2344 O O . LEU B 2 108 ? 23.125 48.300 -1.608 1.00 145.36 ? 328 LEU B O 1 ATOM 2345 C CB . LEU B 2 108 ? 25.957 47.033 -2.993 1.00 125.55 ? 328 LEU B CB 1 ATOM 2346 C CG . LEU B 2 108 ? 26.721 46.649 -4.278 1.00 117.48 ? 328 LEU B CG 1 ATOM 2347 C CD1 . LEU B 2 108 ? 27.997 47.466 -4.352 1.00 110.71 ? 328 LEU B CD1 1 ATOM 2348 C CD2 . LEU B 2 108 ? 27.023 45.152 -4.407 1.00 115.16 ? 328 LEU B CD2 1 ATOM 2349 N N . PRO B 2 109 ? 24.254 46.898 -0.238 1.00 149.99 ? 329 PRO B N 1 ATOM 2350 C CA . PRO B 2 109 ? 23.679 47.549 0.951 1.00 154.40 ? 329 PRO B CA 1 ATOM 2351 C C . PRO B 2 109 ? 24.455 48.792 1.374 1.00 155.04 ? 329 PRO B C 1 ATOM 2352 O O . PRO B 2 109 ? 23.904 49.890 1.403 1.00 154.09 ? 329 PRO B O 1 ATOM 2353 C CB . PRO B 2 109 ? 23.783 46.465 2.038 1.00 158.20 ? 329 PRO B CB 1 ATOM 2354 C CG . PRO B 2 109 ? 24.755 45.444 1.530 1.00 154.29 ? 329 PRO B CG 1 ATOM 2355 C CD . PRO B 2 109 ? 25.204 45.832 0.142 1.00 151.84 ? 329 PRO B CD 1 ATOM 2356 N N . ALA B 2 110 ? 25.720 48.584 1.724 1.00 157.91 ? 330 ALA B N 1 ATOM 2357 C CA . ALA B 2 110 ? 26.684 49.640 1.950 1.00 162.19 ? 330 ALA B CA 1 ATOM 2358 C C . ALA B 2 110 ? 27.437 49.864 0.629 1.00 160.42 ? 330 ALA B C 1 ATOM 2359 O O . ALA B 2 110 ? 27.042 49.313 -0.405 1.00 157.66 ? 330 ALA B O 1 ATOM 2360 C CB . ALA B 2 110 ? 27.642 49.211 3.054 1.00 165.01 ? 330 ALA B CB 1 ATOM 2361 N N . PRO B 2 111 ? 28.499 50.696 0.638 1.00 161.14 ? 331 PRO B N 1 ATOM 2362 C CA . PRO B 2 111 ? 29.452 50.568 -0.474 1.00 157.97 ? 331 PRO B CA 1 ATOM 2363 C C . PRO B 2 111 ? 30.491 49.469 -0.152 1.00 153.51 ? 331 PRO B C 1 ATOM 2364 O O . PRO B 2 111 ? 30.978 49.436 0.983 1.00 160.97 ? 331 PRO B O 1 ATOM 2365 C CB . PRO B 2 111 ? 30.102 51.958 -0.535 1.00 159.37 ? 331 PRO B CB 1 ATOM 2366 C CG . PRO B 2 111 ? 29.950 52.538 0.840 1.00 159.78 ? 331 PRO B CG 1 ATOM 2367 C CD . PRO B 2 111 ? 28.751 51.893 1.473 1.00 163.46 ? 331 PRO B CD 1 ATOM 2368 N N . ILE B 2 112 ? 30.813 48.574 -1.102 1.00 141.88 ? 332 ILE B N 1 ATOM 2369 C CA . ILE B 2 112 ? 31.777 47.452 -0.828 1.00 134.78 ? 332 ILE B CA 1 ATOM 2370 C C . ILE B 2 112 ? 33.269 47.781 -1.099 1.00 122.66 ? 332 ILE B C 1 ATOM 2371 O O . ILE B 2 112 ? 33.599 48.534 -2.003 1.00 117.28 ? 332 ILE B O 1 ATOM 2372 C CB . ILE B 2 112 ? 31.302 46.056 -1.372 1.00 135.58 ? 332 ILE B CB 1 ATOM 2373 C CG1 . ILE B 2 112 ? 30.515 45.309 -0.265 1.00 140.39 ? 332 ILE B CG1 1 ATOM 2374 C CG2 . ILE B 2 112 ? 32.484 45.208 -1.826 1.00 132.32 ? 332 ILE B CG2 1 ATOM 2375 C CD1 . ILE B 2 112 ? 29.780 44.042 -0.669 1.00 138.55 ? 332 ILE B CD1 1 ATOM 2376 N N . GLU B 2 113 ? 34.159 47.250 -0.269 1.00 123.98 ? 333 GLU B N 1 ATOM 2377 C CA . GLU B 2 113 ? 35.543 47.753 -0.198 1.00 125.37 ? 333 GLU B CA 1 ATOM 2378 C C . GLU B 2 113 ? 36.575 46.647 0.037 1.00 125.80 ? 333 GLU B C 1 ATOM 2379 O O . GLU B 2 113 ? 36.562 46.020 1.099 1.00 120.87 ? 333 GLU B O 1 ATOM 2380 C CB . GLU B 2 113 ? 35.683 48.816 0.908 1.00 124.76 ? 333 GLU B CB 1 ATOM 2381 C CG . GLU B 2 113 ? 34.742 50.005 0.752 1.00 134.20 ? 333 GLU B CG 1 ATOM 2382 C CD . GLU B 2 113 ? 35.147 51.230 1.555 1.00 141.96 ? 333 GLU B CD 1 ATOM 2383 O OE1 . GLU B 2 113 ? 36.245 51.226 2.168 1.00 146.96 ? 333 GLU B OE1 1 ATOM 2384 O OE2 . GLU B 2 113 ? 34.361 52.210 1.551 1.00 142.56 -1 333 GLU B OE2 1 ATOM 2385 N N . LYS B 2 114 ? 37.451 46.410 -0.952 1.00 124.16 ? 334 LYS B N 1 ATOM 2386 C CA . LYS B 2 114 ? 38.591 45.486 -0.786 1.00 120.64 ? 334 LYS B CA 1 ATOM 2387 C C . LYS B 2 114 ? 39.806 46.300 -0.374 1.00 116.35 ? 334 LYS B C 1 ATOM 2388 O O . LYS B 2 114 ? 39.766 47.529 -0.441 1.00 112.59 ? 334 LYS B O 1 ATOM 2389 C CB . LYS B 2 114 ? 38.875 44.642 -2.045 1.00 117.37 ? 334 LYS B CB 1 ATOM 2390 C CG . LYS B 2 114 ? 37.810 43.600 -2.392 1.00 116.22 ? 334 LYS B CG 1 ATOM 2391 C CD . LYS B 2 114 ? 37.111 42.980 -1.183 1.00 110.71 ? 334 LYS B CD 1 ATOM 2392 C CE . LYS B 2 114 ? 35.594 43.138 -1.309 1.00 110.37 ? 334 LYS B CE 1 ATOM 2393 N NZ . LYS B 2 114 ? 34.788 42.217 -0.450 1.00 112.37 ? 334 LYS B NZ 1 ATOM 2394 N N . THR B 2 115 ? 40.863 45.621 0.073 1.00 116.71 ? 335 THR B N 1 ATOM 2395 C CA . THR B 2 115 ? 42.035 46.293 0.664 1.00 122.03 ? 335 THR B CA 1 ATOM 2396 C C . THR B 2 115 ? 43.286 45.434 0.531 1.00 119.57 ? 335 THR B C 1 ATOM 2397 O O . THR B 2 115 ? 43.378 44.328 1.082 1.00 120.01 ? 335 THR B O 1 ATOM 2398 C CB . THR B 2 115 ? 41.792 46.762 2.133 1.00 129.49 ? 335 THR B CB 1 ATOM 2399 O OG1 . THR B 2 115 ? 41.190 48.069 2.118 1.00 122.68 ? 335 THR B OG1 1 ATOM 2400 C CG2 . THR B 2 115 ? 43.110 46.815 2.952 1.00 129.43 ? 335 THR B CG2 1 ATOM 2401 N N . ILE B 2 116 ? 44.255 45.967 -0.203 1.00 118.78 ? 336 ILE B N 1 ATOM 2402 C CA . ILE B 2 116 ? 45.380 45.153 -0.639 1.00 112.23 ? 336 ILE B CA 1 ATOM 2403 C C . ILE B 2 116 ? 46.762 45.759 -0.308 1.00 112.82 ? 336 ILE B C 1 ATOM 2404 O O . ILE B 2 116 ? 46.933 47.013 -0.214 1.00 102.67 ? 336 ILE B O 1 ATOM 2405 C CB . ILE B 2 116 ? 45.215 44.721 -2.124 1.00 98.33 ? 336 ILE B CB 1 ATOM 2406 C CG1 . ILE B 2 116 ? 45.618 43.267 -2.308 1.00 91.77 ? 336 ILE B CG1 1 ATOM 2407 C CG2 . ILE B 2 116 ? 45.924 45.664 -3.075 1.00 86.72 ? 336 ILE B CG2 1 ATOM 2408 C CD1 . ILE B 2 116 ? 45.988 42.964 -3.732 1.00 91.54 ? 336 ILE B CD1 1 ATOM 2409 N N . SER B 2 117 ? 47.705 44.830 -0.090 1.00 103.42 ? 337 SER B N 1 ATOM 2410 C CA . SER B 2 117 ? 49.108 45.123 0.131 1.00 106.21 ? 337 SER B CA 1 ATOM 2411 C C . SER B 2 117 ? 49.971 43.914 -0.264 1.00 104.41 ? 337 SER B C 1 ATOM 2412 O O . SER B 2 117 ? 49.437 42.852 -0.572 1.00 100.66 ? 337 SER B O 1 ATOM 2413 C CB . SER B 2 117 ? 49.347 45.554 1.583 1.00 109.89 ? 337 SER B CB 1 ATOM 2414 O OG . SER B 2 117 ? 48.494 44.854 2.462 1.00 125.49 ? 337 SER B OG 1 ATOM 2415 N N . LYS B 2 118 ? 51.293 44.108 -0.344 1.00 105.65 ? 338 LYS B N 1 ATOM 2416 C CA . LYS B 2 118 ? 52.210 42.977 -0.268 1.00 102.80 ? 338 LYS B CA 1 ATOM 2417 C C . LYS B 2 118 ? 52.112 42.554 1.176 1.00 99.44 ? 338 LYS B C 1 ATOM 2418 O O . LYS B 2 118 ? 51.652 43.313 2.041 1.00 97.83 ? 338 LYS B O 1 ATOM 2419 C CB . LYS B 2 118 ? 53.671 43.360 -0.584 1.00 105.72 ? 338 LYS B CB 1 ATOM 2420 C CG . LYS B 2 118 ? 54.280 44.363 0.389 1.00 104.02 ? 338 LYS B CG 1 ATOM 2421 C CD . LYS B 2 118 ? 55.736 44.087 0.733 1.00 102.25 ? 338 LYS B CD 1 ATOM 2422 C CE . LYS B 2 118 ? 56.163 45.036 1.857 1.00 102.86 ? 338 LYS B CE 1 ATOM 2423 N NZ . LYS B 2 118 ? 57.401 44.697 2.625 1.00 99.66 ? 338 LYS B NZ 1 ATOM 2424 N N . ALA B 2 119 ? 52.567 41.349 1.450 1.00 98.22 ? 339 ALA B N 1 ATOM 2425 C CA . ALA B 2 119 ? 52.536 40.838 2.808 1.00 94.17 ? 339 ALA B CA 1 ATOM 2426 C C . ALA B 2 119 ? 53.408 41.684 3.750 1.00 92.69 ? 339 ALA B C 1 ATOM 2427 O O . ALA B 2 119 ? 54.582 41.978 3.463 1.00 91.57 ? 339 ALA B O 1 ATOM 2428 C CB . ALA B 2 119 ? 52.954 39.378 2.812 1.00 92.89 ? 339 ALA B CB 1 ATOM 2429 N N . LYS B 2 120 ? 52.797 42.104 4.851 1.00 97.01 ? 340 LYS B N 1 ATOM 2430 C CA . LYS B 2 120 ? 53.494 42.769 5.949 1.00 104.37 ? 340 LYS B CA 1 ATOM 2431 C C . LYS B 2 120 ? 54.472 41.790 6.589 1.00 107.52 ? 340 LYS B C 1 ATOM 2432 O O . LYS B 2 120 ? 54.305 40.568 6.494 1.00 103.90 ? 340 LYS B O 1 ATOM 2433 C CB . LYS B 2 120 ? 52.517 43.255 7.040 1.00 113.52 ? 340 LYS B CB 1 ATOM 2434 C CG . LYS B 2 120 ? 51.270 43.986 6.559 1.00 119.12 ? 340 LYS B CG 1 ATOM 2435 C CD . LYS B 2 120 ? 51.264 45.470 6.907 1.00 122.57 ? 340 LYS B CD 1 ATOM 2436 C CE . LYS B 2 120 ? 50.118 46.177 6.191 1.00 119.78 ? 340 LYS B CE 1 ATOM 2437 N NZ . LYS B 2 120 ? 50.361 46.133 4.721 1.00 113.04 ? 340 LYS B NZ 1 ATOM 2438 N N . GLY B 2 121 ? 55.489 42.340 7.248 1.00 109.99 ? 341 GLY B N 1 ATOM 2439 C CA . GLY B 2 121 ? 56.461 41.533 7.968 1.00 116.26 ? 341 GLY B CA 1 ATOM 2440 C C . GLY B 2 121 ? 57.837 41.937 7.523 1.00 112.66 ? 341 GLY B C 1 ATOM 2441 O O . GLY B 2 121 ? 57.950 42.702 6.580 1.00 102.73 ? 341 GLY B O 1 ATOM 2442 N N . GLN B 2 122 ? 58.860 41.437 8.226 1.00 92.62 ? 342 GLN B N 1 ATOM 2443 C CA . GLN B 2 122 ? 60.275 41.675 7.910 1.00 93.69 ? 342 GLN B CA 1 ATOM 2444 C C . GLN B 2 122 ? 60.589 40.947 6.618 1.00 91.18 ? 342 GLN B C 1 ATOM 2445 O O . GLN B 2 122 ? 60.300 39.751 6.489 1.00 92.40 ? 342 GLN B O 1 ATOM 2446 C CB . GLN B 2 122 ? 61.184 41.151 9.023 1.00 101.94 ? 342 GLN B CB 1 ATOM 2447 C CG . GLN B 2 122 ? 62.467 41.947 9.227 1.00 119.47 ? 342 GLN B CG 1 ATOM 2448 C CD . GLN B 2 122 ? 63.494 41.224 10.102 1.00 134.39 ? 342 GLN B CD 1 ATOM 2449 O OE1 . GLN B 2 122 ? 64.698 41.353 9.876 1.00 143.63 ? 342 GLN B OE1 1 ATOM 2450 N NE2 . GLN B 2 122 ? 63.028 40.461 11.099 1.00 131.58 ? 342 GLN B NE2 1 ATOM 2451 N N . PRO B 2 123 ? 61.124 41.678 5.629 1.00 92.21 ? 343 PRO B N 1 ATOM 2452 C CA . PRO B 2 123 ? 61.485 40.967 4.418 1.00 86.92 ? 343 PRO B CA 1 ATOM 2453 C C . PRO B 2 123 ? 62.683 40.111 4.647 1.00 80.89 ? 343 PRO B C 1 ATOM 2454 O O . PRO B 2 123 ? 63.596 40.521 5.312 1.00 88.82 ? 343 PRO B O 1 ATOM 2455 C CB . PRO B 2 123 ? 61.774 42.110 3.419 1.00 86.10 ? 343 PRO B CB 1 ATOM 2456 C CG . PRO B 2 123 ? 60.858 43.209 3.879 1.00 85.24 ? 343 PRO B CG 1 ATOM 2457 C CD . PRO B 2 123 ? 61.039 43.137 5.384 1.00 91.15 ? 343 PRO B CD 1 ATOM 2458 N N . ARG B 2 124 ? 62.646 38.889 4.166 1.00 84.45 ? 344 ARG B N 1 ATOM 2459 C CA . ARG B 2 124 ? 63.804 38.025 4.303 1.00 84.47 ? 344 ARG B CA 1 ATOM 2460 C C . ARG B 2 124 ? 64.297 37.601 2.946 1.00 82.62 ? 344 ARG B C 1 ATOM 2461 O O . ARG B 2 124 ? 63.527 37.192 2.031 1.00 80.29 ? 344 ARG B O 1 ATOM 2462 C CB . ARG B 2 124 ? 63.512 36.813 5.183 1.00 85.18 ? 344 ARG B CB 1 ATOM 2463 C CG . ARG B 2 124 ? 63.708 37.071 6.669 1.00 93.85 ? 344 ARG B CG 1 ATOM 2464 C CD . ARG B 2 124 ? 62.974 36.052 7.542 1.00 94.63 ? 344 ARG B CD 1 ATOM 2465 N NE . ARG B 2 124 ? 61.571 36.442 7.734 1.00 97.93 ? 344 ARG B NE 1 ATOM 2466 C CZ . ARG B 2 124 ? 60.551 35.584 7.827 1.00 101.56 ? 344 ARG B CZ 1 ATOM 2467 N NH1 . ARG B 2 124 ? 59.317 36.034 8.007 1.00 90.09 ? 344 ARG B NH1 1 ATOM 2468 N NH2 . ARG B 2 124 ? 60.764 34.271 7.731 1.00 108.41 ? 344 ARG B NH2 1 ATOM 2469 N N . GLU B 2 125 ? 65.605 37.712 2.855 1.00 82.00 ? 345 GLU B N 1 ATOM 2470 C CA . GLU B 2 125 ? 66.370 37.435 1.671 1.00 88.19 ? 345 GLU B CA 1 ATOM 2471 C C . GLU B 2 125 ? 66.375 35.951 1.406 1.00 85.79 ? 345 GLU B C 1 ATOM 2472 O O . GLU B 2 125 ? 66.620 35.173 2.326 1.00 92.23 ? 345 GLU B O 1 ATOM 2473 C CB . GLU B 2 125 ? 67.803 37.916 1.908 1.00 97.04 ? 345 GLU B CB 1 ATOM 2474 C CG . GLU B 2 125 ? 68.745 37.602 0.770 1.00 104.62 ? 345 GLU B CG 1 ATOM 2475 C CD . GLU B 2 125 ? 70.168 37.968 1.079 1.00 115.92 ? 345 GLU B CD 1 ATOM 2476 O OE1 . GLU B 2 125 ? 70.444 39.170 1.300 1.00 117.38 ? 345 GLU B OE1 1 ATOM 2477 O OE2 . GLU B 2 125 ? 71.004 37.037 1.080 1.00 122.37 -1 345 GLU B OE2 1 ATOM 2478 N N . PRO B 2 126 ? 66.123 35.557 0.150 1.00 81.98 ? 346 PRO B N 1 ATOM 2479 C CA . PRO B 2 126 ? 66.223 34.170 -0.329 1.00 83.10 ? 346 PRO B CA 1 ATOM 2480 C C . PRO B 2 126 ? 67.670 33.627 -0.263 1.00 85.14 ? 346 PRO B C 1 ATOM 2481 O O . PRO B 2 126 ? 68.597 34.409 -0.328 1.00 79.95 ? 346 PRO B O 1 ATOM 2482 C CB . PRO B 2 126 ? 65.815 34.301 -1.797 1.00 82.33 ? 346 PRO B CB 1 ATOM 2483 C CG . PRO B 2 126 ? 66.233 35.693 -2.155 1.00 79.86 ? 346 PRO B CG 1 ATOM 2484 C CD . PRO B 2 126 ? 65.825 36.484 -0.952 1.00 79.50 ? 346 PRO B CD 1 ATOM 2485 N N . GLN B 2 127 ? 67.839 32.312 -0.100 1.00 85.48 ? 347 GLN B N 1 ATOM 2486 C CA . GLN B 2 127 ? 69.125 31.641 -0.287 1.00 86.20 ? 347 GLN B CA 1 ATOM 2487 C C . GLN B 2 127 ? 68.964 30.850 -1.560 1.00 90.60 ? 347 GLN B C 1 ATOM 2488 O O . GLN B 2 127 ? 67.928 30.174 -1.751 1.00 95.07 ? 347 GLN B O 1 ATOM 2489 C CB . GLN B 2 127 ? 69.455 30.635 0.836 1.00 95.90 ? 347 GLN B CB 1 ATOM 2490 C CG . GLN B 2 127 ? 69.069 30.984 2.272 1.00 101.06 ? 347 GLN B CG 1 ATOM 2491 C CD . GLN B 2 127 ? 69.476 32.385 2.654 1.00 110.76 ? 347 GLN B CD 1 ATOM 2492 O OE1 . GLN B 2 127 ? 70.600 32.814 2.378 1.00 124.21 ? 347 GLN B OE1 1 ATOM 2493 N NE2 . GLN B 2 127 ? 68.560 33.120 3.278 1.00 109.64 ? 347 GLN B NE2 1 ATOM 2494 N N . VAL B 2 128 ? 69.970 30.904 -2.431 1.00 87.31 ? 348 VAL B N 1 ATOM 2495 C CA . VAL B 2 128 ? 69.827 30.331 -3.775 1.00 83.42 ? 348 VAL B CA 1 ATOM 2496 C C . VAL B 2 128 ? 70.826 29.238 -4.035 1.00 81.05 ? 348 VAL B C 1 ATOM 2497 O O . VAL B 2 128 ? 71.981 29.391 -3.727 1.00 92.48 ? 348 VAL B O 1 ATOM 2498 C CB . VAL B 2 128 ? 69.949 31.431 -4.846 1.00 87.60 ? 348 VAL B CB 1 ATOM 2499 C CG1 . VAL B 2 128 ? 69.670 30.883 -6.246 1.00 84.98 ? 348 VAL B CG1 1 ATOM 2500 C CG2 . VAL B 2 128 ? 68.978 32.561 -4.514 1.00 86.92 ? 348 VAL B CG2 1 ATOM 2501 N N . CYS B 2 129 ? 70.386 28.143 -4.625 1.00 83.80 ? 349 CYS B N 1 ATOM 2502 C CA . CYS B 2 129 ? 71.233 26.957 -4.735 1.00 96.96 ? 349 CYS B CA 1 ATOM 2503 C C . CYS B 2 129 ? 71.005 26.145 -5.976 1.00 97.48 ? 349 CYS B C 1 ATOM 2504 O O . CYS B 2 129 ? 69.869 25.744 -6.258 1.00 103.30 ? 349 CYS B O 1 ATOM 2505 C CB . CYS B 2 129 ? 71.023 26.038 -3.537 1.00 104.31 ? 349 CYS B CB 1 ATOM 2506 S SG . CYS B 2 129 ? 72.322 26.312 -2.350 1.00 126.35 ? 349 CYS B SG 1 ATOM 2507 N N . THR B 2 130 ? 72.081 25.873 -6.700 1.00 88.58 ? 350 THR B N 1 ATOM 2508 C CA . THR B 2 130 ? 71.953 25.097 -7.896 1.00 88.61 ? 350 THR B CA 1 ATOM 2509 C C . THR B 2 130 ? 72.256 23.704 -7.510 1.00 92.90 ? 350 THR B C 1 ATOM 2510 O O . THR B 2 130 ? 73.144 23.482 -6.695 1.00 98.00 ? 350 THR B O 1 ATOM 2511 C CB . THR B 2 130 ? 73.004 25.489 -8.894 1.00 93.72 ? 350 THR B CB 1 ATOM 2512 O OG1 . THR B 2 130 ? 74.274 25.437 -8.244 1.00 105.92 ? 350 THR B OG1 1 ATOM 2513 C CG2 . THR B 2 130 ? 72.761 26.880 -9.364 1.00 96.88 ? 350 THR B CG2 1 ATOM 2514 N N . LEU B 2 131 ? 71.532 22.760 -8.099 1.00 98.04 ? 351 LEU B N 1 ATOM 2515 C CA . LEU B 2 131 ? 71.857 21.339 -7.940 1.00 98.96 ? 351 LEU B CA 1 ATOM 2516 C C . LEU B 2 131 ? 72.043 20.577 -9.272 1.00 96.89 ? 351 LEU B C 1 ATOM 2517 O O . LEU B 2 131 ? 71.229 20.694 -10.174 1.00 109.07 ? 351 LEU B O 1 ATOM 2518 C CB . LEU B 2 131 ? 70.818 20.671 -7.064 1.00 93.96 ? 351 LEU B CB 1 ATOM 2519 C CG . LEU B 2 131 ? 70.544 21.310 -5.701 1.00 96.55 ? 351 LEU B CG 1 ATOM 2520 C CD1 . LEU B 2 131 ? 69.503 20.470 -4.970 1.00 92.60 ? 351 LEU B CD1 1 ATOM 2521 C CD2 . LEU B 2 131 ? 71.799 21.437 -4.852 1.00 101.48 ? 351 LEU B CD2 1 ATOM 2522 N N . PRO B 2 132 ? 73.128 19.810 -9.399 1.00 94.96 ? 352 PRO B N 1 ATOM 2523 C CA . PRO B 2 132 ? 73.374 19.026 -10.601 1.00 97.40 ? 352 PRO B CA 1 ATOM 2524 C C . PRO B 2 132 ? 72.418 17.846 -10.628 1.00 100.25 ? 352 PRO B C 1 ATOM 2525 O O . PRO B 2 132 ? 71.771 17.589 -9.627 1.00 99.17 ? 352 PRO B O 1 ATOM 2526 C CB . PRO B 2 132 ? 74.762 18.479 -10.353 1.00 96.56 ? 352 PRO B CB 1 ATOM 2527 C CG . PRO B 2 132 ? 74.786 18.277 -8.872 1.00 98.90 ? 352 PRO B CG 1 ATOM 2528 C CD . PRO B 2 132 ? 74.124 19.524 -8.354 1.00 97.71 ? 352 PRO B CD 1 ATOM 2529 N N . PRO B 2 133 ? 72.353 17.102 -11.749 1.00 107.29 ? 353 PRO B N 1 ATOM 2530 C CA . PRO B 2 133 ? 71.423 15.948 -11.776 1.00 104.18 ? 353 PRO B CA 1 ATOM 2531 C C . PRO B 2 133 ? 71.749 14.881 -10.719 1.00 110.25 ? 353 PRO B C 1 ATOM 2532 O O . PRO B 2 133 ? 72.850 14.877 -10.166 1.00 116.99 ? 353 PRO B O 1 ATOM 2533 C CB . PRO B 2 133 ? 71.601 15.366 -13.186 1.00 107.91 ? 353 PRO B CB 1 ATOM 2534 C CG . PRO B 2 133 ? 72.791 16.053 -13.796 1.00 104.21 ? 353 PRO B CG 1 ATOM 2535 C CD . PRO B 2 133 ? 73.080 17.301 -13.026 1.00 102.27 ? 353 PRO B CD 1 ATOM 2536 N N . SER B 2 134 ? 70.797 14.000 -10.422 1.00 112.06 ? 354 SER B N 1 ATOM 2537 C CA . SER B 2 134 ? 71.081 12.823 -9.586 1.00 114.06 ? 354 SER B CA 1 ATOM 2538 C C . SER B 2 134 ? 71.885 11.800 -10.405 1.00 112.63 ? 354 SER B C 1 ATOM 2539 O O . SER B 2 134 ? 71.735 11.731 -11.628 1.00 111.64 ? 354 SER B O 1 ATOM 2540 C CB . SER B 2 134 ? 69.774 12.205 -9.076 1.00 111.49 ? 354 SER B CB 1 ATOM 2541 O OG . SER B 2 134 ? 69.974 11.437 -7.899 1.00 116.79 ? 354 SER B OG 1 ATOM 2542 N N . ARG B 2 135 ? 72.732 11.009 -9.752 1.00 113.83 ? 355 ARG B N 1 ATOM 2543 C CA . ARG B 2 135 ? 73.586 10.078 -10.503 1.00 124.39 ? 355 ARG B CA 1 ATOM 2544 C C . ARG B 2 135 ? 72.782 8.996 -11.224 1.00 123.54 ? 355 ARG B C 1 ATOM 2545 O O . ARG B 2 135 ? 73.195 8.504 -12.278 1.00 126.23 ? 355 ARG B O 1 ATOM 2546 C CB . ARG B 2 135 ? 74.713 9.460 -9.658 1.00 129.09 ? 355 ARG B CB 1 ATOM 2547 C CG . ARG B 2 135 ? 75.941 9.111 -10.506 1.00 142.22 ? 355 ARG B CG 1 ATOM 2548 C CD . ARG B 2 135 ? 76.544 7.731 -10.215 1.00 151.62 ? 355 ARG B CD 1 ATOM 2549 N NE . ARG B 2 135 ? 77.521 7.775 -9.123 1.00 162.40 ? 355 ARG B NE 1 ATOM 2550 C CZ . ARG B 2 135 ? 78.575 6.963 -8.986 1.00 174.24 ? 355 ARG B CZ 1 ATOM 2551 N NH1 . ARG B 2 135 ? 78.834 6.006 -9.876 1.00 173.88 ? 355 ARG B NH1 1 ATOM 2552 N NH2 . ARG B 2 135 ? 79.389 7.117 -7.946 1.00 178.58 ? 355 ARG B NH2 1 ATOM 2553 N N . ASP B 2 136 ? 71.630 8.633 -10.677 1.00 121.26 ? 356 ASP B N 1 ATOM 2554 C CA . ASP B 2 136 ? 70.776 7.692 -11.384 1.00 126.78 ? 356 ASP B CA 1 ATOM 2555 C C . ASP B 2 136 ? 70.226 8.335 -12.655 1.00 127.50 ? 356 ASP B C 1 ATOM 2556 O O . ASP B 2 136 ? 70.047 7.649 -13.661 1.00 130.66 ? 356 ASP B O 1 ATOM 2557 C CB . ASP B 2 136 ? 69.648 7.169 -10.498 1.00 124.62 ? 356 ASP B CB 1 ATOM 2558 C CG . ASP B 2 136 ? 70.157 6.397 -9.298 1.00 127.43 ? 356 ASP B CG 1 ATOM 2559 O OD1 . ASP B 2 136 ? 71.213 6.775 -8.750 1.00 133.49 ? 356 ASP B OD1 1 ATOM 2560 O OD2 . ASP B 2 136 ? 69.495 5.420 -8.892 1.00 126.45 -1 356 ASP B OD2 1 ATOM 2561 N N . GLU B 2 137 ? 69.989 9.649 -12.617 1.00 122.58 ? 357 GLU B N 1 ATOM 2562 C CA . GLU B 2 137 ? 69.451 10.351 -13.779 1.00 118.16 ? 357 GLU B CA 1 ATOM 2563 C C . GLU B 2 137 ? 70.446 10.433 -14.933 1.00 124.80 ? 357 GLU B C 1 ATOM 2564 O O . GLU B 2 137 ? 70.043 10.542 -16.101 1.00 129.08 ? 357 GLU B O 1 ATOM 2565 C CB . GLU B 2 137 ? 68.942 11.750 -13.426 1.00 110.84 ? 357 GLU B CB 1 ATOM 2566 C CG . GLU B 2 137 ? 68.075 12.330 -14.542 1.00 109.18 ? 357 GLU B CG 1 ATOM 2567 C CD . GLU B 2 137 ? 67.528 13.712 -14.256 1.00 108.54 ? 357 GLU B CD 1 ATOM 2568 O OE1 . GLU B 2 137 ? 68.302 14.569 -13.765 1.00 108.27 ? 357 GLU B OE1 1 ATOM 2569 O OE2 . GLU B 2 137 ? 66.321 13.935 -14.544 1.00 107.66 -1 357 GLU B OE2 1 ATOM 2570 N N . LEU B 2 138 ? 71.737 10.395 -14.611 1.00 124.98 ? 358 LEU B N 1 ATOM 2571 C CA . LEU B 2 138 ? 72.772 10.439 -15.641 1.00 131.70 ? 358 LEU B CA 1 ATOM 2572 C C . LEU B 2 138 ? 72.530 9.383 -16.718 1.00 134.67 ? 358 LEU B C 1 ATOM 2573 O O . LEU B 2 138 ? 72.908 9.568 -17.877 1.00 139.39 ? 358 LEU B O 1 ATOM 2574 C CB . LEU B 2 138 ? 74.174 10.278 -15.037 1.00 132.16 ? 358 LEU B CB 1 ATOM 2575 C CG . LEU B 2 138 ? 74.808 11.489 -14.344 1.00 127.74 ? 358 LEU B CG 1 ATOM 2576 C CD1 . LEU B 2 138 ? 76.335 11.364 -14.379 1.00 132.18 ? 358 LEU B CD1 1 ATOM 2577 C CD2 . LEU B 2 138 ? 74.333 12.790 -14.984 1.00 118.05 ? 358 LEU B CD2 1 ATOM 2578 N N . THR B 2 139 ? 71.877 8.292 -16.328 1.00 135.11 ? 359 THR B N 1 ATOM 2579 C CA . THR B 2 139 ? 71.632 7.168 -17.234 1.00 142.16 ? 359 THR B CA 1 ATOM 2580 C C . THR B 2 139 ? 70.399 7.394 -18.138 1.00 140.80 ? 359 THR B C 1 ATOM 2581 O O . THR B 2 139 ? 70.210 6.675 -19.120 1.00 145.05 ? 359 THR B O 1 ATOM 2582 C CB . THR B 2 139 ? 71.594 5.791 -16.489 1.00 140.48 ? 359 THR B CB 1 ATOM 2583 O OG1 . THR B 2 139 ? 70.470 5.727 -15.606 1.00 135.49 ? 359 THR B OG1 1 ATOM 2584 C CG2 . THR B 2 139 ? 72.870 5.556 -15.671 1.00 140.49 ? 359 THR B CG2 1 ATOM 2585 N N . LYS B 2 140 ? 69.576 8.396 -17.823 1.00 142.26 ? 360 LYS B N 1 ATOM 2586 C CA . LYS B 2 140 ? 68.419 8.717 -18.675 1.00 142.39 ? 360 LYS B CA 1 ATOM 2587 C C . LYS B 2 140 ? 68.862 9.486 -19.914 1.00 140.75 ? 360 LYS B C 1 ATOM 2588 O O . LYS B 2 140 ? 70.057 9.548 -20.230 1.00 139.37 ? 360 LYS B O 1 ATOM 2589 C CB . LYS B 2 140 ? 67.288 9.446 -17.905 1.00 138.58 ? 360 LYS B CB 1 ATOM 2590 C CG . LYS B 2 140 ? 66.295 8.521 -17.185 1.00 135.06 ? 360 LYS B CG 1 ATOM 2591 C CD . LYS B 2 140 ? 65.960 7.274 -18.018 1.00 138.60 ? 360 LYS B CD 1 ATOM 2592 C CE . LYS B 2 140 ? 65.610 6.048 -17.173 1.00 131.83 ? 360 LYS B CE 1 ATOM 2593 N NZ . LYS B 2 140 ? 64.194 6.052 -16.694 1.00 122.85 ? 360 LYS B NZ 1 ATOM 2594 N N . ASN B 2 141 ? 67.903 10.065 -20.623 1.00 136.50 ? 361 ASN B N 1 ATOM 2595 C CA . ASN B 2 141 ? 68.217 10.704 -21.887 1.00 132.86 ? 361 ASN B CA 1 ATOM 2596 C C . ASN B 2 141 ? 68.404 12.223 -21.847 1.00 128.71 ? 361 ASN B C 1 ATOM 2597 O O . ASN B 2 141 ? 69.099 12.789 -22.668 1.00 128.30 ? 361 ASN B O 1 ATOM 2598 C CB . ASN B 2 141 ? 67.182 10.329 -22.925 1.00 132.55 ? 361 ASN B CB 1 ATOM 2599 C CG . ASN B 2 141 ? 67.658 10.633 -24.314 1.00 133.63 ? 361 ASN B CG 1 ATOM 2600 O OD1 . ASN B 2 141 ? 68.631 10.040 -24.792 1.00 129.45 ? 361 ASN B OD1 1 ATOM 2601 N ND2 . ASN B 2 141 ? 67.006 11.594 -24.959 1.00 133.14 ? 361 ASN B ND2 1 ATOM 2602 N N . GLN B 2 142 ? 67.762 12.885 -20.902 1.00 130.06 ? 362 GLN B N 1 ATOM 2603 C CA . GLN B 2 142 ? 67.991 14.310 -20.688 1.00 130.39 ? 362 GLN B CA 1 ATOM 2604 C C . GLN B 2 142 ? 68.125 14.535 -19.181 1.00 126.69 ? 362 GLN B C 1 ATOM 2605 O O . GLN B 2 142 ? 67.591 13.751 -18.392 1.00 122.36 ? 362 GLN B O 1 ATOM 2606 C CB . GLN B 2 142 ? 66.836 15.125 -21.261 1.00 135.56 ? 362 GLN B CB 1 ATOM 2607 C CG . GLN B 2 142 ? 66.516 14.850 -22.726 1.00 141.91 ? 362 GLN B CG 1 ATOM 2608 C CD . GLN B 2 142 ? 65.308 15.636 -23.211 1.00 142.46 ? 362 GLN B CD 1 ATOM 2609 O OE1 . GLN B 2 142 ? 64.175 15.150 -23.164 1.00 137.85 ? 362 GLN B OE1 1 ATOM 2610 N NE2 . GLN B 2 142 ? 65.542 16.865 -23.666 1.00 144.59 ? 362 GLN B NE2 1 ATOM 2611 N N . VAL B 2 143 ? 68.851 15.571 -18.766 1.00 121.26 ? 363 VAL B N 1 ATOM 2612 C CA . VAL B 2 143 ? 69.089 15.762 -17.323 1.00 112.40 ? 363 VAL B CA 1 ATOM 2613 C C . VAL B 2 143 ? 68.211 16.842 -16.703 1.00 108.07 ? 363 VAL B C 1 ATOM 2614 O O . VAL B 2 143 ? 67.684 17.709 -17.400 1.00 112.86 ? 363 VAL B O 1 ATOM 2615 C CB . VAL B 2 143 ? 70.583 15.973 -16.962 1.00 106.34 ? 363 VAL B CB 1 ATOM 2616 C CG1 . VAL B 2 143 ? 71.269 14.640 -16.691 1.00 102.91 ? 363 VAL B CG1 1 ATOM 2617 C CG2 . VAL B 2 143 ? 71.297 16.737 -18.058 1.00 110.22 ? 363 VAL B CG2 1 ATOM 2618 N N . SER B 2 144 ? 68.053 16.770 -15.388 1.00 105.20 ? 364 SER B N 1 ATOM 2619 C CA . SER B 2 144 ? 67.246 17.736 -14.648 1.00 102.46 ? 364 SER B CA 1 ATOM 2620 C C . SER B 2 144 ? 68.083 18.572 -13.678 1.00 102.09 ? 364 SER B C 1 ATOM 2621 O O . SER B 2 144 ? 68.410 18.125 -12.544 1.00 102.84 ? 364 SER B O 1 ATOM 2622 C CB . SER B 2 144 ? 66.067 17.047 -13.941 1.00 95.04 ? 364 SER B CB 1 ATOM 2623 O OG . SER B 2 144 ? 64.916 17.054 -14.785 1.00 91.92 ? 364 SER B OG 1 ATOM 2624 N N . LEU B 2 145 ? 68.424 19.779 -14.142 1.00 89.13 ? 365 LEU B N 1 ATOM 2625 C CA . LEU B 2 145 ? 69.160 20.728 -13.326 1.00 86.80 ? 365 LEU B CA 1 ATOM 2626 C C . LEU B 2 145 ? 68.206 21.426 -12.402 1.00 86.50 ? 365 LEU B C 1 ATOM 2627 O O . LEU B 2 145 ? 67.100 21.787 -12.798 1.00 89.95 ? 365 LEU B O 1 ATOM 2628 C CB . LEU B 2 145 ? 69.831 21.769 -14.190 1.00 91.86 ? 365 LEU B CB 1 ATOM 2629 C CG . LEU B 2 145 ? 70.797 21.257 -15.256 1.00 94.90 ? 365 LEU B CG 1 ATOM 2630 C CD1 . LEU B 2 145 ? 71.480 22.461 -15.886 1.00 89.45 ? 365 LEU B CD1 1 ATOM 2631 C CD2 . LEU B 2 145 ? 71.804 20.263 -14.671 1.00 98.27 ? 365 LEU B CD2 1 ATOM 2632 N N . SER B 2 146 ? 68.624 21.637 -11.166 1.00 84.94 ? 366 SER B N 1 ATOM 2633 C CA . SER B 2 146 ? 67.679 22.108 -10.169 1.00 88.59 ? 366 SER B CA 1 ATOM 2634 C C . SER B 2 146 ? 68.131 23.404 -9.490 1.00 91.63 ? 366 SER B C 1 ATOM 2635 O O . SER B 2 146 ? 69.327 23.608 -9.243 1.00 90.02 ? 366 SER B O 1 ATOM 2636 C CB . SER B 2 146 ? 67.405 20.989 -9.150 1.00 86.49 ? 366 SER B CB 1 ATOM 2637 O OG . SER B 2 146 ? 67.058 19.770 -9.809 1.00 86.89 ? 366 SER B OG 1 ATOM 2638 N N . CYS B 2 147 ? 67.174 24.280 -9.200 1.00 88.01 ? 367 CYS B N 1 ATOM 2639 C CA . CYS B 2 147 ? 67.475 25.494 -8.437 1.00 91.74 ? 367 CYS B CA 1 ATOM 2640 C C . CYS B 2 147 ? 66.712 25.584 -7.099 1.00 91.26 ? 367 CYS B C 1 ATOM 2641 O O . CYS B 2 147 ? 65.501 25.838 -7.065 1.00 94.66 ? 367 CYS B O 1 ATOM 2642 C CB . CYS B 2 147 ? 67.185 26.718 -9.281 1.00 89.80 ? 367 CYS B CB 1 ATOM 2643 S SG . CYS B 2 147 ? 68.131 28.142 -8.761 1.00 99.16 ? 367 CYS B SG 1 ATOM 2644 N N . ALA B 2 148 ? 67.394 25.353 -5.986 1.00 86.52 ? 368 ALA B N 1 ATOM 2645 C CA . ALA B 2 148 ? 66.693 25.488 -4.719 1.00 82.32 ? 368 ALA B CA 1 ATOM 2646 C C . ALA B 2 148 ? 66.690 26.960 -4.296 1.00 78.06 ? 368 ALA B C 1 ATOM 2647 O O . ALA B 2 148 ? 67.705 27.660 -4.371 1.00 74.27 ? 368 ALA B O 1 ATOM 2648 C CB . ALA B 2 148 ? 67.286 24.586 -3.648 1.00 80.61 ? 368 ALA B CB 1 ATOM 2649 N N . VAL B 2 149 ? 65.530 27.435 -3.884 1.00 67.25 ? 369 VAL B N 1 ATOM 2650 C CA . VAL B 2 149 ? 65.441 28.804 -3.444 1.00 77.07 ? 369 VAL B CA 1 ATOM 2651 C C . VAL B 2 149 ? 64.624 28.860 -2.158 1.00 80.62 ? 369 VAL B C 1 ATOM 2652 O O . VAL B 2 149 ? 63.410 28.585 -2.156 1.00 77.68 ? 369 VAL B O 1 ATOM 2653 C CB . VAL B 2 149 ? 64.810 29.700 -4.548 1.00 76.83 ? 369 VAL B CB 1 ATOM 2654 C CG1 . VAL B 2 149 ? 64.820 31.176 -4.142 1.00 70.24 ? 369 VAL B CG1 1 ATOM 2655 C CG2 . VAL B 2 149 ? 65.521 29.471 -5.875 1.00 66.75 ? 369 VAL B CG2 1 ATOM 2656 N N . LYS B 2 150 ? 65.295 29.207 -1.066 1.00 83.84 ? 370 LYS B N 1 ATOM 2657 C CA . LYS B 2 150 ? 64.661 29.083 0.224 1.00 83.33 ? 370 LYS B CA 1 ATOM 2658 C C . LYS B 2 150 ? 64.822 30.298 1.126 1.00 81.31 ? 370 LYS B C 1 ATOM 2659 O O . LYS B 2 150 ? 65.584 31.209 0.816 1.00 80.13 ? 370 LYS B O 1 ATOM 2660 C CB . LYS B 2 150 ? 65.106 27.768 0.898 1.00 92.76 ? 370 LYS B CB 1 ATOM 2661 C CG . LYS B 2 150 ? 66.164 27.851 1.986 1.00 96.30 ? 370 LYS B CG 1 ATOM 2662 C CD . LYS B 2 150 ? 65.533 27.273 3.247 1.00 101.52 ? 370 LYS B CD 1 ATOM 2663 C CE . LYS B 2 150 ? 66.461 27.287 4.454 1.00 104.28 ? 370 LYS B CE 1 ATOM 2664 N NZ . LYS B 2 150 ? 67.381 26.120 4.408 1.00 105.71 ? 370 LYS B NZ 1 ATOM 2665 N N . GLY B 2 151 ? 64.057 30.302 2.221 1.00 82.81 ? 371 GLY B N 1 ATOM 2666 C CA . GLY B 2 151 ? 64.073 31.344 3.253 1.00 80.04 ? 371 GLY B CA 1 ATOM 2667 C C . GLY B 2 151 ? 63.591 32.747 2.892 1.00 81.69 ? 371 GLY B C 1 ATOM 2668 O O . GLY B 2 151 ? 63.973 33.721 3.581 1.00 79.67 ? 371 GLY B O 1 ATOM 2669 N N . PHE B 2 152 ? 62.748 32.883 1.855 1.00 72.57 ? 372 PHE B N 1 ATOM 2670 C CA . PHE B 2 152 ? 62.412 34.226 1.406 1.00 71.21 ? 372 PHE B CA 1 ATOM 2671 C C . PHE B 2 152 ? 61.095 34.738 1.918 1.00 73.22 ? 372 PHE B C 1 ATOM 2672 O O . PHE B 2 152 ? 60.170 33.955 2.105 1.00 77.68 ? 372 PHE B O 1 ATOM 2673 C CB . PHE B 2 152 ? 62.541 34.385 -0.101 1.00 72.73 ? 372 PHE B CB 1 ATOM 2674 C CG . PHE B 2 152 ? 61.794 33.369 -0.930 1.00 70.38 ? 372 PHE B CG 1 ATOM 2675 C CD1 . PHE B 2 152 ? 62.365 32.132 -1.231 1.00 69.40 ? 372 PHE B CD1 1 ATOM 2676 C CD2 . PHE B 2 152 ? 60.554 33.701 -1.517 1.00 75.28 ? 372 PHE B CD2 1 ATOM 2677 C CE1 . PHE B 2 152 ? 61.699 31.217 -2.051 1.00 71.24 ? 372 PHE B CE1 1 ATOM 2678 C CE2 . PHE B 2 152 ? 59.867 32.781 -2.325 1.00 74.81 ? 372 PHE B CE2 1 ATOM 2679 C CZ . PHE B 2 152 ? 60.445 31.522 -2.587 1.00 70.07 ? 372 PHE B CZ 1 ATOM 2680 N N . TYR B 2 153 ? 61.010 36.034 2.194 1.00 68.00 ? 373 TYR B N 1 ATOM 2681 C CA . TYR B 2 153 ? 59.704 36.606 2.517 1.00 70.97 ? 373 TYR B CA 1 ATOM 2682 C C . TYR B 2 153 ? 59.714 38.046 2.063 1.00 77.60 ? 373 TYR B C 1 ATOM 2683 O O . TYR B 2 153 ? 60.763 38.660 2.143 1.00 86.04 ? 373 TYR B O 1 ATOM 2684 C CB . TYR B 2 153 ? 59.411 36.546 4.014 1.00 69.64 ? 373 TYR B CB 1 ATOM 2685 C CG . TYR B 2 153 ? 57.987 36.944 4.428 1.00 65.98 ? 373 TYR B CG 1 ATOM 2686 C CD1 . TYR B 2 153 ? 56.952 35.998 4.469 1.00 62.58 ? 373 TYR B CD1 1 ATOM 2687 C CD2 . TYR B 2 153 ? 57.696 38.247 4.834 1.00 67.44 ? 373 TYR B CD2 1 ATOM 2688 C CE1 . TYR B 2 153 ? 55.666 36.352 4.865 1.00 63.96 ? 373 TYR B CE1 1 ATOM 2689 C CE2 . TYR B 2 153 ? 56.416 38.626 5.232 1.00 67.46 ? 373 TYR B CE2 1 ATOM 2690 C CZ . TYR B 2 153 ? 55.408 37.674 5.257 1.00 72.35 ? 373 TYR B CZ 1 ATOM 2691 O OH . TYR B 2 153 ? 54.142 38.049 5.643 1.00 76.30 ? 373 TYR B OH 1 ATOM 2692 N N . PRO B 2 154 ? 58.567 38.572 1.547 1.00 72.19 ? 374 PRO B N 1 ATOM 2693 C CA . PRO B 2 154 ? 57.343 37.799 1.218 1.00 68.08 ? 374 PRO B CA 1 ATOM 2694 C C . PRO B 2 154 ? 57.540 36.852 0.035 1.00 71.75 ? 374 PRO B C 1 ATOM 2695 O O . PRO B 2 154 ? 58.662 36.727 -0.484 1.00 72.14 ? 374 PRO B O 1 ATOM 2696 C CB . PRO B 2 154 ? 56.263 38.857 0.932 1.00 62.64 ? 374 PRO B CB 1 ATOM 2697 C CG . PRO B 2 154 ? 56.977 40.144 0.822 1.00 72.29 ? 374 PRO B CG 1 ATOM 2698 C CD . PRO B 2 154 ? 58.337 40.025 1.498 1.00 70.02 ? 374 PRO B CD 1 ATOM 2699 N N . SER B 2 155 ? 56.466 36.159 -0.350 1.00 71.04 ? 375 SER B N 1 ATOM 2700 C CA . SER B 2 155 ? 56.573 35.086 -1.323 1.00 73.76 ? 375 SER B CA 1 ATOM 2701 C C . SER B 2 155 ? 56.733 35.593 -2.776 1.00 76.03 ? 375 SER B C 1 ATOM 2702 O O . SER B 2 155 ? 57.022 34.823 -3.694 1.00 77.66 ? 375 SER B O 1 ATOM 2703 C CB . SER B 2 155 ? 55.366 34.162 -1.179 1.00 72.47 ? 375 SER B CB 1 ATOM 2704 O OG . SER B 2 155 ? 54.220 34.714 -1.783 1.00 77.67 ? 375 SER B OG 1 ATOM 2705 N N . ASP B 2 156 ? 56.561 36.897 -2.959 1.00 75.88 ? 376 ASP B N 1 ATOM 2706 C CA . ASP B 2 156 ? 56.638 37.520 -4.262 1.00 77.82 ? 376 ASP B CA 1 ATOM 2707 C C . ASP B 2 156 ? 58.054 37.311 -4.801 1.00 76.54 ? 376 ASP B C 1 ATOM 2708 O O . ASP B 2 156 ? 59.022 37.751 -4.203 1.00 80.81 ? 376 ASP B O 1 ATOM 2709 C CB . ASP B 2 156 ? 56.235 39.003 -4.148 1.00 82.25 ? 376 ASP B CB 1 ATOM 2710 C CG . ASP B 2 156 ? 54.822 39.191 -3.537 1.00 92.25 ? 376 ASP B CG 1 ATOM 2711 O OD1 . ASP B 2 156 ? 53.831 39.061 -4.278 1.00 112.34 ? 376 ASP B OD1 1 ATOM 2712 O OD2 . ASP B 2 156 ? 54.664 39.465 -2.327 1.00 97.38 -1 376 ASP B OD2 1 ATOM 2713 N N . ILE B 2 157 ? 58.159 36.600 -5.925 1.00 80.74 ? 377 ILE B N 1 ATOM 2714 C CA . ILE B 2 157 ? 59.443 36.200 -6.518 1.00 75.63 ? 377 ILE B CA 1 ATOM 2715 C C . ILE B 2 157 ? 59.372 35.834 -8.009 1.00 78.33 ? 377 ILE B C 1 ATOM 2716 O O . ILE B 2 157 ? 58.298 35.677 -8.574 1.00 84.67 ? 377 ILE B O 1 ATOM 2717 C CB . ILE B 2 157 ? 60.018 34.992 -5.782 1.00 76.67 ? 377 ILE B CB 1 ATOM 2718 C CG1 . ILE B 2 157 ? 61.486 34.779 -6.175 1.00 78.26 ? 377 ILE B CG1 1 ATOM 2719 C CG2 . ILE B 2 157 ? 59.168 33.742 -6.052 1.00 72.46 ? 377 ILE B CG2 1 ATOM 2720 C CD1 . ILE B 2 157 ? 62.296 34.072 -5.102 1.00 79.13 ? 377 ILE B CD1 1 ATOM 2721 N N . ALA B 2 158 ? 60.537 35.641 -8.619 1.00 78.87 ? 378 ALA B N 1 ATOM 2722 C CA . ALA B 2 158 ? 60.683 35.532 -10.051 1.00 71.13 ? 378 ALA B CA 1 ATOM 2723 C C . ALA B 2 158 ? 62.015 34.853 -10.327 1.00 74.55 ? 378 ALA B C 1 ATOM 2724 O O . ALA B 2 158 ? 63.072 35.382 -9.914 1.00 80.90 ? 378 ALA B O 1 ATOM 2725 C CB . ALA B 2 158 ? 60.696 36.926 -10.618 1.00 71.83 ? 378 ALA B CB 1 ATOM 2726 N N . VAL B 2 159 ? 61.962 33.698 -11.002 1.00 68.85 ? 379 VAL B N 1 ATOM 2727 C CA . VAL B 2 159 ? 63.121 32.839 -11.295 1.00 69.19 ? 379 VAL B CA 1 ATOM 2728 C C . VAL B 2 159 ? 63.197 32.574 -12.794 1.00 77.98 ? 379 VAL B C 1 ATOM 2729 O O . VAL B 2 159 ? 62.165 32.457 -13.451 1.00 77.66 ? 379 VAL B O 1 ATOM 2730 C CB . VAL B 2 159 ? 62.979 31.461 -10.607 1.00 71.52 ? 379 VAL B CB 1 ATOM 2731 C CG1 . VAL B 2 159 ? 64.026 30.469 -11.125 1.00 68.38 ? 379 VAL B CG1 1 ATOM 2732 C CG2 . VAL B 2 159 ? 63.040 31.573 -9.072 1.00 69.38 ? 379 VAL B CG2 1 ATOM 2733 N N . GLU B 2 160 ? 64.409 32.492 -13.346 1.00 85.71 ? 380 GLU B N 1 ATOM 2734 C CA . GLU B 2 160 ? 64.596 32.185 -14.771 1.00 90.68 ? 380 GLU B CA 1 ATOM 2735 C C . GLU B 2 160 ? 65.948 31.500 -14.995 1.00 96.91 ? 380 GLU B C 1 ATOM 2736 O O . GLU B 2 160 ? 66.839 31.575 -14.133 1.00 94.88 ? 380 GLU B O 1 ATOM 2737 C CB . GLU B 2 160 ? 64.510 33.441 -15.669 1.00 102.15 ? 380 GLU B CB 1 ATOM 2738 C CG . GLU B 2 160 ? 64.203 34.789 -15.000 1.00 108.55 ? 380 GLU B CG 1 ATOM 2739 C CD . GLU B 2 160 ? 63.817 35.877 -16.006 1.00 119.33 ? 380 GLU B CD 1 ATOM 2740 O OE1 . GLU B 2 160 ? 64.182 35.771 -17.200 1.00 119.37 ? 380 GLU B OE1 1 ATOM 2741 O OE2 . GLU B 2 160 ? 63.130 36.848 -15.611 1.00 126.93 -1 380 GLU B OE2 1 ATOM 2742 N N . TRP B 2 161 ? 66.092 30.845 -16.158 1.00 103.88 ? 381 TRP B N 1 ATOM 2743 C CA . TRP B 2 161 ? 67.333 30.157 -16.559 1.00 101.88 ? 381 TRP B CA 1 ATOM 2744 C C . TRP B 2 161 ? 67.903 30.692 -17.875 1.00 109.05 ? 381 TRP B C 1 ATOM 2745 O O . TRP B 2 161 ? 67.170 30.924 -18.855 1.00 102.13 ? 381 TRP B O 1 ATOM 2746 C CB . TRP B 2 161 ? 67.126 28.651 -16.741 1.00 103.02 ? 381 TRP B CB 1 ATOM 2747 C CG . TRP B 2 161 ? 66.848 27.837 -15.508 1.00 107.94 ? 381 TRP B CG 1 ATOM 2748 C CD1 . TRP B 2 161 ? 65.617 27.520 -15.000 1.00 108.29 ? 381 TRP B CD1 1 ATOM 2749 C CD2 . TRP B 2 161 ? 67.804 27.189 -14.658 1.00 108.45 ? 381 TRP B CD2 1 ATOM 2750 N NE1 . TRP B 2 161 ? 65.747 26.728 -13.879 1.00 106.51 ? 381 TRP B NE1 1 ATOM 2751 C CE2 . TRP B 2 161 ? 67.077 26.508 -13.648 1.00 106.91 ? 381 TRP B CE2 1 ATOM 2752 C CE3 . TRP B 2 161 ? 69.196 27.116 -14.647 1.00 109.97 ? 381 TRP B CE3 1 ATOM 2753 C CZ2 . TRP B 2 161 ? 67.698 25.769 -12.642 1.00 107.72 ? 381 TRP B CZ2 1 ATOM 2754 C CZ3 . TRP B 2 161 ? 69.813 26.383 -13.642 1.00 115.55 ? 381 TRP B CZ3 1 ATOM 2755 C CH2 . TRP B 2 161 ? 69.063 25.721 -12.654 1.00 114.98 ? 381 TRP B CH2 1 ATOM 2756 N N . GLU B 2 162 ? 69.224 30.856 -17.881 1.00 112.48 ? 382 GLU B N 1 ATOM 2757 C CA . GLU B 2 162 ? 69.971 31.258 -19.063 1.00 121.05 ? 382 GLU B CA 1 ATOM 2758 C C . GLU B 2 162 ? 71.231 30.425 -19.145 1.00 124.11 ? 382 GLU B C 1 ATOM 2759 O O . GLU B 2 162 ? 71.732 29.973 -18.115 1.00 124.07 ? 382 GLU B O 1 ATOM 2760 C CB . GLU B 2 162 ? 70.332 32.743 -19.007 1.00 121.35 ? 382 GLU B CB 1 ATOM 2761 C CG . GLU B 2 162 ? 70.529 33.289 -17.606 1.00 123.06 ? 382 GLU B CG 1 ATOM 2762 C CD . GLU B 2 162 ? 69.288 33.995 -17.084 1.00 126.59 ? 382 GLU B CD 1 ATOM 2763 O OE1 . GLU B 2 162 ? 68.338 33.329 -16.640 1.00 115.01 ? 382 GLU B OE1 1 ATOM 2764 O OE2 . GLU B 2 162 ? 69.261 35.240 -17.105 1.00 140.94 -1 382 GLU B OE2 1 ATOM 2765 N N . SER B 2 163 ? 71.721 30.209 -20.366 1.00 126.36 ? 383 SER B N 1 ATOM 2766 C CA . SER B 2 163 ? 73.004 29.531 -20.602 1.00 132.17 ? 383 SER B CA 1 ATOM 2767 C C . SER B 2 163 ? 73.862 30.345 -21.568 1.00 136.41 ? 383 SER B C 1 ATOM 2768 O O . SER B 2 163 ? 73.367 30.796 -22.603 1.00 143.25 ? 383 SER B O 1 ATOM 2769 C CB . SER B 2 163 ? 72.792 28.112 -21.146 1.00 132.89 ? 383 SER B CB 1 ATOM 2770 O OG . SER B 2 163 ? 74.026 27.518 -21.547 1.00 136.37 ? 383 SER B OG 1 ATOM 2771 N N . ASN B 2 164 ? 75.144 30.513 -21.234 1.00 135.99 ? 384 ASN B N 1 ATOM 2772 C CA . ASN B 2 164 ? 76.052 31.416 -21.970 1.00 144.08 ? 384 ASN B CA 1 ATOM 2773 C C . ASN B 2 164 ? 75.385 32.759 -22.301 1.00 142.78 ? 384 ASN B C 1 ATOM 2774 O O . ASN B 2 164 ? 75.538 33.264 -23.411 1.00 139.89 ? 384 ASN B O 1 ATOM 2775 C CB . ASN B 2 164 ? 76.620 30.782 -23.267 1.00 148.29 ? 384 ASN B CB 1 ATOM 2776 C CG . ASN B 2 164 ? 76.943 29.298 -23.126 1.00 148.34 ? 384 ASN B CG 1 ATOM 2777 O OD1 . ASN B 2 164 ? 77.789 28.894 -22.328 1.00 148.37 ? 384 ASN B OD1 1 ATOM 2778 N ND2 . ASN B 2 164 ? 76.277 28.481 -23.927 1.00 151.70 ? 384 ASN B ND2 1 ATOM 2779 N N . GLY B 2 165 ? 74.629 33.306 -21.343 1.00 140.05 ? 385 GLY B N 1 ATOM 2780 C CA . GLY B 2 165 ? 73.926 34.586 -21.521 1.00 143.21 ? 385 GLY B CA 1 ATOM 2781 C C . GLY B 2 165 ? 72.907 34.583 -22.652 1.00 143.42 ? 385 GLY B C 1 ATOM 2782 O O . GLY B 2 165 ? 73.010 35.365 -23.595 1.00 137.81 ? 385 GLY B O 1 ATOM 2783 N N . GLN B 2 166 ? 71.922 33.693 -22.540 1.00 144.35 ? 386 GLN B N 1 ATOM 2784 C CA . GLN B 2 166 ? 70.880 33.496 -23.552 1.00 146.04 ? 386 GLN B CA 1 ATOM 2785 C C . GLN B 2 166 ? 69.662 32.812 -22.928 1.00 142.89 ? 386 GLN B C 1 ATOM 2786 O O . GLN B 2 166 ? 69.821 31.786 -22.259 1.00 147.92 ? 386 GLN B O 1 ATOM 2787 C CB . GLN B 2 166 ? 71.414 32.626 -24.691 1.00 146.99 ? 386 GLN B CB 1 ATOM 2788 C CG . GLN B 2 166 ? 71.934 33.416 -25.869 1.00 149.50 ? 386 GLN B CG 1 ATOM 2789 C CD . GLN B 2 166 ? 70.838 34.218 -26.537 1.00 151.98 ? 386 GLN B CD 1 ATOM 2790 O OE1 . GLN B 2 166 ? 69.884 33.659 -27.079 1.00 152.74 ? 386 GLN B OE1 1 ATOM 2791 N NE2 . GLN B 2 166 ? 70.963 35.535 -26.495 1.00 150.87 ? 386 GLN B NE2 1 ATOM 2792 N N . PRO B 2 167 ? 68.442 33.348 -23.169 1.00 137.21 ? 387 PRO B N 1 ATOM 2793 C CA . PRO B 2 167 ? 67.246 32.849 -22.469 1.00 126.65 ? 387 PRO B CA 1 ATOM 2794 C C . PRO B 2 167 ? 67.050 31.341 -22.661 1.00 119.97 ? 387 PRO B C 1 ATOM 2795 O O . PRO B 2 167 ? 67.246 30.839 -23.758 1.00 119.20 ? 387 PRO B O 1 ATOM 2796 C CB . PRO B 2 167 ? 66.106 33.621 -23.142 1.00 126.07 ? 387 PRO B CB 1 ATOM 2797 C CG . PRO B 2 167 ? 66.620 33.900 -24.517 1.00 131.96 ? 387 PRO B CG 1 ATOM 2798 C CD . PRO B 2 167 ? 68.078 34.202 -24.315 1.00 135.82 ? 387 PRO B CD 1 ATOM 2799 N N . GLU B 2 168 ? 66.698 30.629 -21.594 1.00 119.16 ? 388 GLU B N 1 ATOM 2800 C CA . GLU B 2 168 ? 66.369 29.207 -21.692 1.00 114.78 ? 388 GLU B CA 1 ATOM 2801 C C . GLU B 2 168 ? 64.878 29.046 -21.662 1.00 110.30 ? 388 GLU B C 1 ATOM 2802 O O . GLU B 2 168 ? 64.185 29.855 -21.075 1.00 110.82 ? 388 GLU B O 1 ATOM 2803 C CB . GLU B 2 168 ? 66.986 28.428 -20.546 1.00 116.55 ? 388 GLU B CB 1 ATOM 2804 C CG . GLU B 2 168 ? 68.490 28.270 -20.675 1.00 127.97 ? 388 GLU B CG 1 ATOM 2805 C CD . GLU B 2 168 ? 68.871 27.362 -21.825 1.00 136.48 ? 388 GLU B CD 1 ATOM 2806 O OE1 . GLU B 2 168 ? 68.199 26.319 -21.979 1.00 135.66 ? 388 GLU B OE1 1 ATOM 2807 O OE2 . GLU B 2 168 ? 69.831 27.688 -22.564 1.00 141.03 -1 388 GLU B OE2 1 ATOM 2808 N N . ASN B 2 169 ? 64.375 28.003 -22.302 1.00 114.89 ? 389 ASN B N 1 ATOM 2809 C CA . ASN B 2 169 ? 62.933 27.835 -22.433 1.00 117.48 ? 389 ASN B CA 1 ATOM 2810 C C . ASN B 2 169 ? 62.371 26.731 -21.577 1.00 112.11 ? 389 ASN B C 1 ATOM 2811 O O . ASN B 2 169 ? 61.307 26.884 -21.006 1.00 110.93 ? 389 ASN B O 1 ATOM 2812 C CB . ASN B 2 169 ? 62.549 27.576 -23.895 1.00 127.58 ? 389 ASN B CB 1 ATOM 2813 C CG . ASN B 2 169 ? 62.148 28.843 -24.627 1.00 138.66 ? 389 ASN B CG 1 ATOM 2814 O OD1 . ASN B 2 169 ? 61.810 29.855 -23.999 1.00 145.03 ? 389 ASN B OD1 1 ATOM 2815 N ND2 . ASN B 2 169 ? 62.171 28.796 -25.962 1.00 138.08 ? 389 ASN B ND2 1 ATOM 2816 N N . ASN B 2 170 ? 63.098 25.617 -21.517 1.00 114.48 ? 390 ASN B N 1 ATOM 2817 C CA . ASN B 2 170 ? 62.606 24.367 -20.955 1.00 107.78 ? 390 ASN B CA 1 ATOM 2818 C C . ASN B 2 170 ? 62.821 24.287 -19.446 1.00 101.30 ? 390 ASN B C 1 ATOM 2819 O O . ASN B 2 170 ? 63.688 23.569 -18.922 1.00 94.04 ? 390 ASN B O 1 ATOM 2820 C CB . ASN B 2 170 ? 63.258 23.190 -21.671 1.00 116.30 ? 390 ASN B CB 1 ATOM 2821 C CG . ASN B 2 170 ? 62.248 22.184 -22.178 1.00 127.55 ? 390 ASN B CG 1 ATOM 2822 O OD1 . ASN B 2 170 ? 61.078 22.510 -22.402 1.00 133.61 ? 390 ASN B OD1 1 ATOM 2823 N ND2 . ASN B 2 170 ? 62.700 20.951 -22.383 1.00 132.91 ? 390 ASN B ND2 1 ATOM 2824 N N . TYR B 2 171 ? 62.009 25.048 -18.744 1.00 96.18 ? 391 TYR B N 1 ATOM 2825 C CA . TYR B 2 171 ? 62.113 25.102 -17.321 1.00 91.83 ? 391 TYR B CA 1 ATOM 2826 C C . TYR B 2 171 ? 60.738 25.344 -16.755 1.00 87.88 ? 391 TYR B C 1 ATOM 2827 O O . TYR B 2 171 ? 59.992 26.179 -17.251 1.00 89.41 ? 391 TYR B O 1 ATOM 2828 C CB . TYR B 2 171 ? 63.114 26.185 -16.887 1.00 94.27 ? 391 TYR B CB 1 ATOM 2829 C CG . TYR B 2 171 ? 62.632 27.640 -16.894 1.00 97.32 ? 391 TYR B CG 1 ATOM 2830 C CD1 . TYR B 2 171 ? 61.925 28.165 -15.796 1.00 91.56 ? 391 TYR B CD1 1 ATOM 2831 C CD2 . TYR B 2 171 ? 62.926 28.509 -17.981 1.00 101.35 ? 391 TYR B CD2 1 ATOM 2832 C CE1 . TYR B 2 171 ? 61.496 29.487 -15.781 1.00 96.72 ? 391 TYR B CE1 1 ATOM 2833 C CE2 . TYR B 2 171 ? 62.508 29.844 -17.981 1.00 99.81 ? 391 TYR B CE2 1 ATOM 2834 C CZ . TYR B 2 171 ? 61.791 30.335 -16.878 1.00 104.24 ? 391 TYR B CZ 1 ATOM 2835 O OH . TYR B 2 171 ? 61.352 31.656 -16.831 1.00 96.10 ? 391 TYR B OH 1 ATOM 2836 N N . LYS B 2 172 ? 60.398 24.580 -15.730 1.00 83.69 ? 392 LYS B N 1 ATOM 2837 C CA . LYS B 2 172 ? 59.203 24.850 -14.958 1.00 81.54 ? 392 LYS B CA 1 ATOM 2838 C C . LYS B 2 172 ? 59.580 25.111 -13.509 1.00 78.47 ? 392 LYS B C 1 ATOM 2839 O O . LYS B 2 172 ? 60.635 24.693 -13.038 1.00 82.00 ? 392 LYS B O 1 ATOM 2840 C CB . LYS B 2 172 ? 58.240 23.684 -15.060 1.00 80.42 ? 392 LYS B CB 1 ATOM 2841 C CG . LYS B 2 172 ? 57.933 23.266 -16.492 1.00 83.30 ? 392 LYS B CG 1 ATOM 2842 C CD . LYS B 2 172 ? 56.992 24.274 -17.124 1.00 82.60 ? 392 LYS B CD 1 ATOM 2843 C CE . LYS B 2 172 ? 56.010 23.616 -18.062 1.00 83.49 ? 392 LYS B CE 1 ATOM 2844 N NZ . LYS B 2 172 ? 54.955 24.609 -18.407 1.00 88.45 ? 392 LYS B NZ 1 ATOM 2845 N N . THR B 2 173 ? 58.713 25.814 -12.807 1.00 75.91 ? 393 THR B N 1 ATOM 2846 C CA . THR B 2 173 ? 59.023 26.248 -11.463 1.00 77.05 ? 393 THR B CA 1 ATOM 2847 C C . THR B 2 173 ? 57.836 26.072 -10.517 1.00 73.05 ? 393 THR B C 1 ATOM 2848 O O . THR B 2 173 ? 56.713 26.429 -10.834 1.00 80.30 ? 393 THR B O 1 ATOM 2849 C CB . THR B 2 173 ? 59.578 27.687 -11.488 1.00 75.94 ? 393 THR B CB 1 ATOM 2850 O OG1 . THR B 2 173 ? 60.917 27.627 -11.992 1.00 73.56 ? 393 THR B OG1 1 ATOM 2851 C CG2 . THR B 2 173 ? 59.564 28.350 -10.109 1.00 69.72 ? 393 THR B CG2 1 ATOM 2852 N N . THR B 2 174 ? 58.101 25.496 -9.355 1.00 67.19 ? 394 THR B N 1 ATOM 2853 C CA . THR B 2 174 ? 57.031 25.137 -8.435 1.00 63.84 ? 394 THR B CA 1 ATOM 2854 C C . THR B 2 174 ? 56.617 26.414 -7.828 1.00 60.24 ? 394 THR B C 1 ATOM 2855 O O . THR B 2 174 ? 57.396 27.373 -7.810 1.00 67.34 ? 394 THR B O 1 ATOM 2856 C CB . THR B 2 174 ? 57.535 24.199 -7.319 1.00 65.52 ? 394 THR B CB 1 ATOM 2857 O OG1 . THR B 2 174 ? 58.351 24.946 -6.398 1.00 60.61 ? 394 THR B OG1 1 ATOM 2858 C CG2 . THR B 2 174 ? 58.369 23.011 -7.950 1.00 64.65 ? 394 THR B CG2 1 ATOM 2859 N N . PRO B 2 175 ? 55.393 26.457 -7.324 1.00 57.15 ? 395 PRO B N 1 ATOM 2860 C CA . PRO B 2 175 ? 54.960 27.618 -6.592 1.00 55.80 ? 395 PRO B CA 1 ATOM 2861 C C . PRO B 2 175 ? 55.739 27.729 -5.297 1.00 64.95 ? 395 PRO B C 1 ATOM 2862 O O . PRO B 2 175 ? 56.455 26.771 -4.878 1.00 62.06 ? 395 PRO B O 1 ATOM 2863 C CB . PRO B 2 175 ? 53.510 27.300 -6.271 1.00 60.08 ? 395 PRO B CB 1 ATOM 2864 C CG . PRO B 2 175 ? 53.093 26.198 -7.193 1.00 57.17 ? 395 PRO B CG 1 ATOM 2865 C CD . PRO B 2 175 ? 54.358 25.420 -7.389 1.00 57.92 ? 395 PRO B CD 1 ATOM 2866 N N . PRO B 2 176 ? 55.636 28.889 -4.646 1.00 63.16 ? 396 PRO B N 1 ATOM 2867 C CA . PRO B 2 176 ? 56.325 28.977 -3.370 1.00 65.45 ? 396 PRO B CA 1 ATOM 2868 C C . PRO B 2 176 ? 55.595 28.116 -2.339 1.00 62.87 ? 396 PRO B C 1 ATOM 2869 O O . PRO B 2 176 ? 54.358 28.182 -2.268 1.00 59.50 ? 396 PRO B O 1 ATOM 2870 C CB . PRO B 2 176 ? 56.164 30.459 -3.015 1.00 66.67 ? 396 PRO B CB 1 ATOM 2871 C CG . PRO B 2 176 ? 55.642 31.119 -4.254 1.00 58.19 ? 396 PRO B CG 1 ATOM 2872 C CD . PRO B 2 176 ? 54.799 30.060 -4.873 1.00 56.98 ? 396 PRO B CD 1 ATOM 2873 N N . VAL B 2 177 ? 56.327 27.298 -1.583 1.00 63.65 ? 397 VAL B N 1 ATOM 2874 C CA . VAL B 2 177 ? 55.696 26.555 -0.463 1.00 64.36 ? 397 VAL B CA 1 ATOM 2875 C C . VAL B 2 177 ? 56.077 27.163 0.879 1.00 65.75 ? 397 VAL B C 1 ATOM 2876 O O . VAL B 2 177 ? 57.259 27.407 1.111 1.00 71.60 ? 397 VAL B O 1 ATOM 2877 C CB . VAL B 2 177 ? 56.059 25.043 -0.378 1.00 66.46 ? 397 VAL B CB 1 ATOM 2878 C CG1 . VAL B 2 177 ? 54.950 24.297 0.343 1.00 66.58 ? 397 VAL B CG1 1 ATOM 2879 C CG2 . VAL B 2 177 ? 56.329 24.369 -1.732 1.00 63.62 ? 397 VAL B CG2 1 ATOM 2880 N N . LEU B 2 178 ? 55.080 27.388 1.749 1.00 67.58 ? 398 LEU B N 1 ATOM 2881 C CA . LEU B 2 178 ? 55.258 27.976 3.108 1.00 66.03 ? 398 LEU B CA 1 ATOM 2882 C C . LEU B 2 178 ? 56.058 27.113 3.998 1.00 63.96 ? 398 LEU B C 1 ATOM 2883 O O . LEU B 2 178 ? 55.798 25.949 4.098 1.00 72.77 ? 398 LEU B O 1 ATOM 2884 C CB . LEU B 2 178 ? 53.899 28.152 3.810 1.00 68.88 ? 398 LEU B CB 1 ATOM 2885 C CG . LEU B 2 178 ? 53.897 28.749 5.237 1.00 72.65 ? 398 LEU B CG 1 ATOM 2886 C CD1 . LEU B 2 178 ? 54.783 29.982 5.328 1.00 74.16 ? 398 LEU B CD1 1 ATOM 2887 C CD2 . LEU B 2 178 ? 52.510 29.100 5.767 1.00 63.27 ? 398 LEU B CD2 1 ATOM 2888 N N . ASP B 2 179 ? 57.001 27.683 4.708 1.00 76.61 ? 399 ASP B N 1 ATOM 2889 C CA . ASP B 2 179 ? 57.857 26.883 5.613 1.00 83.10 ? 399 ASP B CA 1 ATOM 2890 C C . ASP B 2 179 ? 57.544 27.116 7.102 1.00 78.63 ? 399 ASP B C 1 ATOM 2891 O O . ASP B 2 179 ? 56.907 28.093 7.483 1.00 94.94 ? 399 ASP B O 1 ATOM 2892 C CB . ASP B 2 179 ? 59.338 27.147 5.319 1.00 81.21 ? 399 ASP B CB 1 ATOM 2893 C CG . ASP B 2 179 ? 60.170 25.888 5.350 1.00 86.94 ? 399 ASP B CG 1 ATOM 2894 O OD1 . ASP B 2 179 ? 59.913 25.000 6.209 1.00 87.46 ? 399 ASP B OD1 1 ATOM 2895 O OD2 . ASP B 2 179 ? 61.101 25.803 4.517 1.00 82.98 -1 399 ASP B OD2 1 ATOM 2896 N N . SER B 2 180 ? 58.014 26.223 7.940 1.00 74.14 ? 400 SER B N 1 ATOM 2897 C CA . SER B 2 180 ? 57.692 26.249 9.351 1.00 77.98 ? 400 SER B CA 1 ATOM 2898 C C . SER B 2 180 ? 58.119 27.523 10.092 1.00 79.35 ? 400 SER B C 1 ATOM 2899 O O . SER B 2 180 ? 57.587 27.827 11.149 1.00 87.14 ? 400 SER B O 1 ATOM 2900 C CB . SER B 2 180 ? 58.275 24.998 10.032 1.00 80.48 ? 400 SER B CB 1 ATOM 2901 O OG . SER B 2 180 ? 59.612 24.785 9.595 1.00 85.25 ? 400 SER B OG 1 ATOM 2902 N N . ASP B 2 181 ? 59.075 28.274 9.572 1.00 81.98 ? 401 ASP B N 1 ATOM 2903 C CA . ASP B 2 181 ? 59.368 29.582 10.176 1.00 81.70 ? 401 ASP B CA 1 ATOM 2904 C C . ASP B 2 181 ? 58.656 30.777 9.475 1.00 79.87 ? 401 ASP B C 1 ATOM 2905 O O . ASP B 2 181 ? 58.983 31.955 9.704 1.00 81.66 ? 401 ASP B O 1 ATOM 2906 C CB . ASP B 2 181 ? 60.867 29.793 10.251 1.00 85.48 ? 401 ASP B CB 1 ATOM 2907 C CG . ASP B 2 181 ? 61.508 29.867 8.898 1.00 83.29 ? 401 ASP B CG 1 ATOM 2908 O OD1 . ASP B 2 181 ? 60.919 29.293 7.948 1.00 83.94 ? 401 ASP B OD1 1 ATOM 2909 O OD2 . ASP B 2 181 ? 62.596 30.504 8.800 1.00 85.17 -1 401 ASP B OD2 1 ATOM 2910 N N . GLY B 2 182 ? 57.668 30.463 8.642 1.00 71.02 ? 402 GLY B N 1 ATOM 2911 C CA . GLY B 2 182 ? 56.896 31.480 7.965 1.00 74.22 ? 402 GLY B CA 1 ATOM 2912 C C . GLY B 2 182 ? 57.537 31.991 6.694 1.00 80.16 ? 402 GLY B C 1 ATOM 2913 O O . GLY B 2 182 ? 56.876 32.670 5.922 1.00 74.26 ? 402 GLY B O 1 ATOM 2914 N N . SER B 2 183 ? 58.821 31.666 6.492 1.00 81.57 ? 403 SER B N 1 ATOM 2915 C CA . SER B 2 183 ? 59.550 31.919 5.250 1.00 78.23 ? 403 SER B CA 1 ATOM 2916 C C . SER B 2 183 ? 59.036 30.988 4.128 1.00 74.47 ? 403 SER B C 1 ATOM 2917 O O . SER B 2 183 ? 58.224 30.133 4.397 1.00 78.23 ? 403 SER B O 1 ATOM 2918 C CB . SER B 2 183 ? 61.033 31.671 5.499 1.00 78.36 ? 403 SER B CB 1 ATOM 2919 O OG . SER B 2 183 ? 61.269 30.289 5.618 1.00 72.46 ? 403 SER B OG 1 ATOM 2920 N N . PHE B 2 184 ? 59.495 31.158 2.882 1.00 77.01 ? 404 PHE B N 1 ATOM 2921 C CA . PHE B 2 184 ? 59.057 30.297 1.734 1.00 68.39 ? 404 PHE B CA 1 ATOM 2922 C C . PHE B 2 184 ? 60.190 29.632 0.994 1.00 64.46 ? 404 PHE B C 1 ATOM 2923 O O . PHE B 2 184 ? 61.337 30.031 1.107 1.00 69.69 ? 404 PHE B O 1 ATOM 2924 C CB . PHE B 2 184 ? 58.313 31.104 0.697 1.00 56.74 ? 404 PHE B CB 1 ATOM 2925 C CG . PHE B 2 184 ? 56.980 31.573 1.149 1.00 61.16 ? 404 PHE B CG 1 ATOM 2926 C CD1 . PHE B 2 184 ? 56.852 32.763 1.900 1.00 59.48 ? 404 PHE B CD1 1 ATOM 2927 C CD2 . PHE B 2 184 ? 55.814 30.858 0.808 1.00 58.64 ? 404 PHE B CD2 1 ATOM 2928 C CE1 . PHE B 2 184 ? 55.580 33.211 2.335 1.00 57.77 ? 404 PHE B CE1 1 ATOM 2929 C CE2 . PHE B 2 184 ? 54.560 31.315 1.231 1.00 56.10 ? 404 PHE B CE2 1 ATOM 2930 C CZ . PHE B 2 184 ? 54.441 32.489 1.996 1.00 53.69 ? 404 PHE B CZ 1 ATOM 2931 N N . PHE B 2 185 ? 59.855 28.641 0.195 1.00 62.40 ? 405 PHE B N 1 ATOM 2932 C CA . PHE B 2 185 ? 60.832 28.077 -0.720 1.00 64.45 ? 405 PHE B CA 1 ATOM 2933 C C . PHE B 2 185 ? 60.186 27.518 -2.013 1.00 69.74 ? 405 PHE B C 1 ATOM 2934 O O . PHE B 2 185 ? 58.940 27.319 -2.119 1.00 71.23 ? 405 PHE B O 1 ATOM 2935 C CB . PHE B 2 185 ? 61.631 26.987 -0.015 1.00 61.95 ? 405 PHE B CB 1 ATOM 2936 C CG . PHE B 2 185 ? 60.906 25.679 0.068 1.00 60.82 ? 405 PHE B CG 1 ATOM 2937 C CD1 . PHE B 2 185 ? 59.959 25.467 1.043 1.00 62.62 ? 405 PHE B CD1 1 ATOM 2938 C CD2 . PHE B 2 185 ? 61.163 24.665 -0.850 1.00 63.85 ? 405 PHE B CD2 1 ATOM 2939 C CE1 . PHE B 2 185 ? 59.272 24.249 1.129 1.00 66.99 ? 405 PHE B CE1 1 ATOM 2940 C CE2 . PHE B 2 185 ? 60.481 23.452 -0.786 1.00 67.24 ? 405 PHE B CE2 1 ATOM 2941 C CZ . PHE B 2 185 ? 59.523 23.251 0.203 1.00 67.16 ? 405 PHE B CZ 1 ATOM 2942 N N . LEU B 2 186 ? 61.048 27.242 -2.988 1.00 66.25 ? 406 LEU B N 1 ATOM 2943 C CA . LEU B 2 186 ? 60.634 26.569 -4.210 1.00 65.67 ? 406 LEU B CA 1 ATOM 2944 C C . LEU B 2 186 ? 61.880 26.061 -4.853 1.00 68.53 ? 406 LEU B C 1 ATOM 2945 O O . LEU B 2 186 ? 62.995 26.330 -4.384 1.00 70.68 ? 406 LEU B O 1 ATOM 2946 C CB . LEU B 2 186 ? 59.908 27.520 -5.181 1.00 67.04 ? 406 LEU B CB 1 ATOM 2947 C CG . LEU B 2 186 ? 60.755 28.767 -5.570 1.00 67.70 ? 406 LEU B CG 1 ATOM 2948 C CD1 . LEU B 2 186 ? 61.883 28.372 -6.498 1.00 63.85 ? 406 LEU B CD1 1 ATOM 2949 C CD2 . LEU B 2 186 ? 59.946 29.919 -6.173 1.00 63.55 ? 406 LEU B CD2 1 ATOM 2950 N N . VAL B 2 187 ? 61.663 25.351 -5.946 1.00 68.85 ? 407 VAL B N 1 ATOM 2951 C CA . VAL B 2 187 ? 62.700 24.817 -6.766 1.00 74.59 ? 407 VAL B CA 1 ATOM 2952 C C . VAL B 2 187 ? 62.239 25.059 -8.184 1.00 88.76 ? 407 VAL B C 1 ATOM 2953 O O . VAL B 2 187 ? 61.024 25.012 -8.484 1.00 91.21 ? 407 VAL B O 1 ATOM 2954 C CB . VAL B 2 187 ? 62.783 23.300 -6.603 1.00 82.31 ? 407 VAL B CB 1 ATOM 2955 C CG1 . VAL B 2 187 ? 63.715 22.721 -7.650 1.00 89.30 ? 407 VAL B CG1 1 ATOM 2956 C CG2 . VAL B 2 187 ? 63.212 22.906 -5.192 1.00 81.45 ? 407 VAL B CG2 1 ATOM 2957 N N . SER B 2 188 ? 63.206 25.320 -9.060 1.00 92.20 ? 408 SER B N 1 ATOM 2958 C CA . SER B 2 188 ? 62.955 25.428 -10.484 1.00 83.71 ? 408 SER B CA 1 ATOM 2959 C C . SER B 2 188 ? 63.762 24.379 -11.225 1.00 79.84 ? 408 SER B C 1 ATOM 2960 O O . SER B 2 188 ? 64.979 24.265 -11.030 1.00 81.62 ? 408 SER B O 1 ATOM 2961 C CB . SER B 2 188 ? 63.345 26.811 -10.980 1.00 84.79 ? 408 SER B CB 1 ATOM 2962 O OG . SER B 2 188 ? 63.125 26.884 -12.377 1.00 83.44 ? 408 SER B OG 1 ATOM 2963 N N . LYS B 2 189 ? 63.088 23.606 -12.064 1.00 74.38 ? 409 LYS B N 1 ATOM 2964 C CA . LYS B 2 189 ? 63.782 22.573 -12.820 1.00 79.15 ? 409 LYS B CA 1 ATOM 2965 C C . LYS B 2 189 ? 63.863 22.891 -14.304 1.00 84.78 ? 409 LYS B C 1 ATOM 2966 O O . LYS B 2 189 ? 62.840 23.024 -15.011 1.00 85.46 ? 409 LYS B O 1 ATOM 2967 C CB . LYS B 2 189 ? 63.165 21.198 -12.567 1.00 79.26 ? 409 LYS B CB 1 ATOM 2968 C CG . LYS B 2 189 ? 63.215 20.231 -13.737 1.00 88.92 ? 409 LYS B CG 1 ATOM 2969 C CD . LYS B 2 189 ? 62.625 18.881 -13.357 1.00 91.28 ? 409 LYS B CD 1 ATOM 2970 C CE . LYS B 2 189 ? 61.739 18.333 -14.460 1.00 93.91 ? 409 LYS B CE 1 ATOM 2971 N NZ . LYS B 2 189 ? 60.348 18.731 -14.149 1.00 91.52 ? 409 LYS B NZ 1 ATOM 2972 N N . LEU B 2 190 ? 65.108 23.011 -14.748 1.00 83.90 ? 410 LEU B N 1 ATOM 2973 C CA . LEU B 2 190 ? 65.448 23.226 -16.132 1.00 87.30 ? 410 LEU B CA 1 ATOM 2974 C C . LEU B 2 190 ? 65.904 21.910 -16.677 1.00 92.03 ? 410 LEU B C 1 ATOM 2975 O O . LEU B 2 190 ? 66.737 21.227 -16.055 1.00 93.29 ? 410 LEU B O 1 ATOM 2976 C CB . LEU B 2 190 ? 66.592 24.228 -16.246 1.00 89.23 ? 410 LEU B CB 1 ATOM 2977 C CG . LEU B 2 190 ? 67.496 24.186 -17.483 1.00 90.84 ? 410 LEU B CG 1 ATOM 2978 C CD1 . LEU B 2 190 ? 66.723 24.492 -18.757 1.00 91.37 ? 410 LEU B CD1 1 ATOM 2979 C CD2 . LEU B 2 190 ? 68.656 25.159 -17.303 1.00 92.47 ? 410 LEU B CD2 1 ATOM 2980 N N . THR B 2 191 ? 65.374 21.581 -17.852 1.00 95.23 ? 411 THR B N 1 ATOM 2981 C CA . THR B 2 191 ? 65.578 20.299 -18.478 1.00 97.71 ? 411 THR B CA 1 ATOM 2982 C C . THR B 2 191 ? 66.349 20.557 -19.734 1.00 105.68 ? 411 THR B C 1 ATOM 2983 O O . THR B 2 191 ? 65.921 21.355 -20.557 1.00 118.20 ? 411 THR B O 1 ATOM 2984 C CB . THR B 2 191 ? 64.228 19.663 -18.849 1.00 102.61 ? 411 THR B CB 1 ATOM 2985 O OG1 . THR B 2 191 ? 63.276 19.875 -17.791 1.00 105.03 ? 411 THR B OG1 1 ATOM 2986 C CG2 . THR B 2 191 ? 64.390 18.169 -19.108 1.00 105.82 ? 411 THR B CG2 1 ATOM 2987 N N . VAL B 2 192 ? 67.482 19.882 -19.889 1.00 109.97 ? 412 VAL B N 1 ATOM 2988 C CA . VAL B 2 192 ? 68.357 20.094 -21.039 1.00 110.15 ? 412 VAL B CA 1 ATOM 2989 C C . VAL B 2 192 ? 68.671 18.771 -21.741 1.00 116.96 ? 412 VAL B C 1 ATOM 2990 O O . VAL B 2 192 ? 68.511 17.708 -21.128 1.00 116.23 ? 412 VAL B O 1 ATOM 2991 C CB . VAL B 2 192 ? 69.662 20.815 -20.611 1.00 110.50 ? 412 VAL B CB 1 ATOM 2992 C CG1 . VAL B 2 192 ? 69.389 22.282 -20.302 1.00 106.02 ? 412 VAL B CG1 1 ATOM 2993 C CG2 . VAL B 2 192 ? 70.303 20.141 -19.401 1.00 105.28 ? 412 VAL B CG2 1 ATOM 2994 N N . ASP B 2 193 ? 69.099 18.845 -23.010 1.00 120.85 ? 413 ASP B N 1 ATOM 2995 C CA . ASP B 2 193 ? 69.638 17.699 -23.754 1.00 126.83 ? 413 ASP B CA 1 ATOM 2996 C C . ASP B 2 193 ? 70.855 17.098 -23.055 1.00 131.28 ? 413 ASP B C 1 ATOM 2997 O O . ASP B 2 193 ? 71.745 17.831 -22.616 1.00 131.37 ? 413 ASP B O 1 ATOM 2998 C CB . ASP B 2 193 ? 70.080 18.141 -25.149 1.00 139.36 ? 413 ASP B CB 1 ATOM 2999 C CG . ASP B 2 193 ? 68.998 17.985 -26.190 1.00 143.16 ? 413 ASP B CG 1 ATOM 3000 O OD1 . ASP B 2 193 ? 67.820 18.223 -25.856 1.00 146.74 ? 413 ASP B OD1 1 ATOM 3001 O OD2 . ASP B 2 193 ? 69.333 17.639 -27.348 1.00 142.15 -1 413 ASP B OD2 1 ATOM 3002 N N . LYS B 2 194 ? 70.907 15.767 -22.994 1.00 137.97 ? 414 LYS B N 1 ATOM 3003 C CA . LYS B 2 194 ? 71.935 15.021 -22.234 1.00 143.32 ? 414 LYS B CA 1 ATOM 3004 C C . LYS B 2 194 ? 73.376 15.360 -22.625 1.00 145.36 ? 414 LYS B C 1 ATOM 3005 O O . LYS B 2 194 ? 74.221 15.628 -21.759 1.00 144.15 ? 414 LYS B O 1 ATOM 3006 C CB . LYS B 2 194 ? 71.693 13.512 -22.378 1.00 151.26 ? 414 LYS B CB 1 ATOM 3007 C CG . LYS B 2 194 ? 72.571 12.584 -21.541 1.00 152.96 ? 414 LYS B CG 1 ATOM 3008 C CD . LYS B 2 194 ? 72.437 11.132 -22.009 1.00 153.43 ? 414 LYS B CD 1 ATOM 3009 C CE . LYS B 2 194 ? 73.092 10.911 -23.373 1.00 155.64 ? 414 LYS B CE 1 ATOM 3010 N NZ . LYS B 2 194 ? 72.712 9.628 -24.028 1.00 153.59 ? 414 LYS B NZ 1 ATOM 3011 N N . SER B 2 195 ? 73.640 15.337 -23.931 1.00 148.67 ? 415 SER B N 1 ATOM 3012 C CA . SER B 2 195 ? 74.952 15.644 -24.499 1.00 146.65 ? 415 SER B CA 1 ATOM 3013 C C . SER B 2 195 ? 75.474 17.005 -24.020 1.00 146.52 ? 415 SER B C 1 ATOM 3014 O O . SER B 2 195 ? 76.636 17.146 -23.629 1.00 143.15 ? 415 SER B O 1 ATOM 3015 C CB . SER B 2 195 ? 74.852 15.618 -26.026 1.00 149.73 ? 415 SER B CB 1 ATOM 3016 O OG . SER B 2 195 ? 76.111 15.842 -26.637 1.00 156.67 ? 415 SER B OG 1 ATOM 3017 N N . ARG B 2 196 ? 74.582 17.990 -24.025 1.00 145.55 ? 416 ARG B N 1 ATOM 3018 C CA . ARG B 2 196 ? 74.924 19.368 -23.709 1.00 146.03 ? 416 ARG B CA 1 ATOM 3019 C C . ARG B 2 196 ? 75.534 19.576 -22.321 1.00 141.67 ? 416 ARG B C 1 ATOM 3020 O O . ARG B 2 196 ? 76.558 20.252 -22.190 1.00 144.93 ? 416 ARG B O 1 ATOM 3021 C CB . ARG B 2 196 ? 73.710 20.275 -23.945 1.00 143.89 ? 416 ARG B CB 1 ATOM 3022 C CG . ARG B 2 196 ? 73.446 20.481 -25.435 1.00 151.68 ? 416 ARG B CG 1 ATOM 3023 C CD . ARG B 2 196 ? 72.207 21.302 -25.738 1.00 146.76 ? 416 ARG B CD 1 ATOM 3024 N NE . ARG B 2 196 ? 72.291 22.666 -25.216 1.00 148.86 ? 416 ARG B NE 1 ATOM 3025 C CZ . ARG B 2 196 ? 71.484 23.170 -24.282 1.00 151.65 ? 416 ARG B CZ 1 ATOM 3026 N NH1 . ARG B 2 196 ? 70.509 22.423 -23.752 1.00 148.07 ? 416 ARG B NH1 1 ATOM 3027 N NH2 . ARG B 2 196 ? 71.645 24.429 -23.881 1.00 145.52 ? 416 ARG B NH2 1 ATOM 3028 N N . TRP B 2 197 ? 74.925 18.976 -21.300 1.00 135.75 ? 417 TRP B N 1 ATOM 3029 C CA . TRP B 2 197 ? 75.414 19.104 -19.920 1.00 133.89 ? 417 TRP B CA 1 ATOM 3030 C C . TRP B 2 197 ? 76.859 18.624 -19.835 1.00 138.33 ? 417 TRP B C 1 ATOM 3031 O O . TRP B 2 197 ? 77.722 19.287 -19.219 1.00 133.06 ? 417 TRP B O 1 ATOM 3032 C CB . TRP B 2 197 ? 74.485 18.344 -18.942 1.00 130.41 ? 417 TRP B CB 1 ATOM 3033 C CG . TRP B 2 197 ? 75.024 18.166 -17.522 1.00 126.47 ? 417 TRP B CG 1 ATOM 3034 C CD1 . TRP B 2 197 ? 75.522 17.010 -16.971 1.00 131.40 ? 417 TRP B CD1 1 ATOM 3035 C CD2 . TRP B 2 197 ? 75.125 19.165 -16.480 1.00 123.13 ? 417 TRP B CD2 1 ATOM 3036 N NE1 . TRP B 2 197 ? 75.914 17.224 -15.662 1.00 132.76 ? 417 TRP B NE1 1 ATOM 3037 C CE2 . TRP B 2 197 ? 75.703 18.536 -15.335 1.00 127.40 ? 417 TRP B CE2 1 ATOM 3038 C CE3 . TRP B 2 197 ? 74.805 20.531 -16.414 1.00 118.83 ? 417 TRP B CE3 1 ATOM 3039 C CZ2 . TRP B 2 197 ? 75.952 19.231 -14.140 1.00 124.74 ? 417 TRP B CZ2 1 ATOM 3040 C CZ3 . TRP B 2 197 ? 75.052 21.216 -15.208 1.00 114.57 ? 417 TRP B CZ3 1 ATOM 3041 C CH2 . TRP B 2 197 ? 75.666 20.566 -14.093 1.00 118.87 ? 417 TRP B CH2 1 ATOM 3042 N N . GLN B 2 198 ? 77.099 17.489 -20.503 1.00 145.77 ? 418 GLN B N 1 ATOM 3043 C CA . GLN B 2 198 ? 78.422 16.870 -20.608 1.00 152.90 ? 418 GLN B CA 1 ATOM 3044 C C . GLN B 2 198 ? 79.471 17.695 -21.322 1.00 156.04 ? 418 GLN B C 1 ATOM 3045 O O . GLN B 2 198 ? 80.652 17.579 -20.997 1.00 162.14 ? 418 GLN B O 1 ATOM 3046 C CB . GLN B 2 198 ? 78.339 15.497 -21.263 1.00 152.70 ? 418 GLN B CB 1 ATOM 3047 C CG . GLN B 2 198 ? 78.787 14.381 -20.341 1.00 151.27 ? 418 GLN B CG 1 ATOM 3048 C CD . GLN B 2 198 ? 78.002 13.111 -20.556 1.00 150.87 ? 418 GLN B CD 1 ATOM 3049 O OE1 . GLN B 2 198 ? 77.525 12.831 -21.658 1.00 152.22 ? 418 GLN B OE1 1 ATOM 3050 N NE2 . GLN B 2 198 ? 77.858 12.334 -19.498 1.00 147.00 ? 418 GLN B NE2 1 ATOM 3051 N N . GLN B 2 199 ? 79.060 18.502 -22.301 1.00 159.11 ? 419 GLN B N 1 ATOM 3052 C CA . GLN B 2 199 ? 79.994 19.462 -22.904 1.00 165.11 ? 419 GLN B CA 1 ATOM 3053 C C . GLN B 2 199 ? 80.094 20.702 -22.002 1.00 162.95 ? 419 GLN B C 1 ATOM 3054 O O . GLN B 2 199 ? 79.712 21.808 -22.392 1.00 163.78 ? 419 GLN B O 1 ATOM 3055 C CB . GLN B 2 199 ? 79.637 19.798 -24.368 1.00 162.66 ? 419 GLN B CB 1 ATOM 3056 C CG . GLN B 2 199 ? 80.285 18.866 -25.392 1.00 165.21 ? 419 GLN B CG 1 ATOM 3057 C CD . GLN B 2 199 ? 80.407 19.477 -26.788 1.00 174.89 ? 419 GLN B CD 1 ATOM 3058 O OE1 . GLN B 2 199 ? 79.422 19.949 -27.356 1.00 177.26 ? 419 GLN B OE1 1 ATOM 3059 N NE2 . GLN B 2 199 ? 81.621 19.452 -27.356 1.00 171.97 ? 419 GLN B NE2 1 ATOM 3060 N N . GLY B 2 200 ? 80.589 20.463 -20.781 1.00 159.48 ? 420 GLY B N 1 ATOM 3061 C CA . GLY B 2 200 ? 80.809 21.452 -19.707 1.00 149.21 ? 420 GLY B CA 1 ATOM 3062 C C . GLY B 2 200 ? 80.085 22.789 -19.706 1.00 139.05 ? 420 GLY B C 1 ATOM 3063 O O . GLY B 2 200 ? 80.580 23.762 -19.139 1.00 133.51 ? 420 GLY B O 1 ATOM 3064 N N . ASN B 2 201 ? 78.914 22.848 -20.328 1.00 133.21 ? 421 ASN B N 1 ATOM 3065 C CA . ASN B 2 201 ? 78.226 24.112 -20.460 1.00 131.65 ? 421 ASN B CA 1 ATOM 3066 C C . ASN B 2 201 ? 77.863 24.682 -19.112 1.00 132.30 ? 421 ASN B C 1 ATOM 3067 O O . ASN B 2 201 ? 77.265 23.979 -18.283 1.00 135.32 ? 421 ASN B O 1 ATOM 3068 C CB . ASN B 2 201 ? 76.971 23.937 -21.295 1.00 127.94 ? 421 ASN B CB 1 ATOM 3069 C CG . ASN B 2 201 ? 77.212 24.198 -22.756 1.00 127.88 ? 421 ASN B CG 1 ATOM 3070 O OD1 . ASN B 2 201 ? 76.277 24.428 -23.512 1.00 127.23 ? 421 ASN B OD1 1 ATOM 3071 N ND2 . ASN B 2 201 ? 78.466 24.171 -23.162 1.00 127.73 ? 421 ASN B ND2 1 ATOM 3072 N N . VAL B 2 202 ? 78.248 25.938 -18.882 1.00 131.93 ? 422 VAL B N 1 ATOM 3073 C CA . VAL B 2 202 ? 77.777 26.655 -17.697 1.00 127.83 ? 422 VAL B CA 1 ATOM 3074 C C . VAL B 2 202 ? 76.341 27.074 -17.930 1.00 124.03 ? 422 VAL B C 1 ATOM 3075 O O . VAL B 2 202 ? 76.033 27.744 -18.927 1.00 127.39 ? 422 VAL B O 1 ATOM 3076 C CB . VAL B 2 202 ? 78.624 27.892 -17.321 1.00 130.74 ? 422 VAL B CB 1 ATOM 3077 C CG1 . VAL B 2 202 ? 77.780 28.885 -16.518 1.00 126.37 ? 422 VAL B CG1 1 ATOM 3078 C CG2 . VAL B 2 202 ? 79.860 27.476 -16.525 1.00 128.02 ? 422 VAL B CG2 1 ATOM 3079 N N . PHE B 2 203 ? 75.482 26.647 -17.004 1.00 116.77 ? 423 PHE B N 1 ATOM 3080 C CA . PHE B 2 203 ? 74.068 26.979 -16.991 1.00 107.69 ? 423 PHE B CA 1 ATOM 3081 C C . PHE B 2 203 ? 73.717 27.797 -15.762 1.00 105.69 ? 423 PHE B C 1 ATOM 3082 O O . PHE B 2 203 ? 74.295 27.596 -14.681 1.00 103.94 ? 423 PHE B O 1 ATOM 3083 C CB . PHE B 2 203 ? 73.265 25.705 -16.952 1.00 105.69 ? 423 PHE B CB 1 ATOM 3084 C CG . PHE B 2 203 ? 73.242 24.962 -18.247 1.00 106.73 ? 423 PHE B CG 1 ATOM 3085 C CD1 . PHE B 2 203 ? 74.105 23.903 -18.460 1.00 107.87 ? 423 PHE B CD1 1 ATOM 3086 C CD2 . PHE B 2 203 ? 72.328 25.302 -19.239 1.00 103.63 ? 423 PHE B CD2 1 ATOM 3087 C CE1 . PHE B 2 203 ? 74.060 23.206 -19.646 1.00 113.75 ? 423 PHE B CE1 1 ATOM 3088 C CE2 . PHE B 2 203 ? 72.278 24.612 -20.428 1.00 105.90 ? 423 PHE B CE2 1 ATOM 3089 C CZ . PHE B 2 203 ? 73.150 23.565 -20.636 1.00 112.25 ? 423 PHE B CZ 1 ATOM 3090 N N . SER B 2 204 ? 72.743 28.692 -15.911 1.00 103.90 ? 424 SER B N 1 ATOM 3091 C CA . SER B 2 204 ? 72.513 29.715 -14.885 1.00 106.31 ? 424 SER B CA 1 ATOM 3092 C C . SER B 2 204 ? 71.083 29.952 -14.407 1.00 99.36 ? 424 SER B C 1 ATOM 3093 O O . SER B 2 204 ? 70.155 30.125 -15.199 1.00 105.62 ? 424 SER B O 1 ATOM 3094 C CB . SER B 2 204 ? 73.131 31.040 -15.337 1.00 104.22 ? 424 SER B CB 1 ATOM 3095 O OG . SER B 2 204 ? 74.458 30.805 -15.754 1.00 108.98 ? 424 SER B OG 1 ATOM 3096 N N . CYS B 2 205 ? 70.942 30.009 -13.093 1.00 92.51 ? 425 CYS B N 1 ATOM 3097 C CA . CYS B 2 205 ? 69.666 30.278 -12.449 1.00 96.13 ? 425 CYS B CA 1 ATOM 3098 C C . CYS B 2 205 ? 69.670 31.763 -11.999 1.00 92.33 ? 425 CYS B C 1 ATOM 3099 O O . CYS B 2 205 ? 70.652 32.218 -11.416 1.00 96.80 ? 425 CYS B O 1 ATOM 3100 C CB . CYS B 2 205 ? 69.501 29.275 -11.279 1.00 100.50 ? 425 CYS B CB 1 ATOM 3101 S SG . CYS B 2 205 ? 67.988 29.426 -10.315 1.00 110.56 ? 425 CYS B SG 1 ATOM 3102 N N . SER B 2 206 ? 68.615 32.524 -12.296 1.00 87.03 ? 426 SER B N 1 ATOM 3103 C CA . SER B 2 206 ? 68.581 33.964 -11.959 1.00 95.86 ? 426 SER B CA 1 ATOM 3104 C C . SER B 2 206 ? 67.351 34.268 -11.140 1.00 97.00 ? 426 SER B C 1 ATOM 3105 O O . SER B 2 206 ? 66.237 33.882 -11.521 1.00 104.50 ? 426 SER B O 1 ATOM 3106 C CB . SER B 2 206 ? 68.516 34.853 -13.216 1.00 106.79 ? 426 SER B CB 1 ATOM 3107 O OG . SER B 2 206 ? 69.619 34.661 -14.090 1.00 115.89 ? 426 SER B OG 1 ATOM 3108 N N . VAL B 2 207 ? 67.522 34.995 -10.045 1.00 87.55 ? 427 VAL B N 1 ATOM 3109 C CA . VAL B 2 207 ? 66.415 35.166 -9.107 1.00 84.50 ? 427 VAL B CA 1 ATOM 3110 C C . VAL B 2 207 ? 66.185 36.630 -8.748 1.00 90.45 ? 427 VAL B C 1 ATOM 3111 O O . VAL B 2 207 ? 67.150 37.367 -8.491 1.00 95.75 ? 427 VAL B O 1 ATOM 3112 C CB . VAL B 2 207 ? 66.673 34.360 -7.808 1.00 78.01 ? 427 VAL B CB 1 ATOM 3113 C CG1 . VAL B 2 207 ? 65.454 34.341 -6.925 1.00 68.38 ? 427 VAL B CG1 1 ATOM 3114 C CG2 . VAL B 2 207 ? 67.078 32.937 -8.124 1.00 76.38 ? 427 VAL B CG2 1 ATOM 3115 N N . MET B 2 208 ? 64.926 37.057 -8.701 1.00 83.31 ? 428 MET B N 1 ATOM 3116 C CA . MET B 2 208 ? 64.681 38.462 -8.409 1.00 89.75 ? 428 MET B CA 1 ATOM 3117 C C . MET B 2 208 ? 63.716 38.621 -7.243 1.00 84.94 ? 428 MET B C 1 ATOM 3118 O O . MET B 2 208 ? 62.642 38.022 -7.256 1.00 82.92 ? 428 MET B O 1 ATOM 3119 C CB . MET B 2 208 ? 64.161 39.212 -9.659 1.00 95.94 ? 428 MET B CB 1 ATOM 3120 C CG . MET B 2 208 ? 64.940 39.036 -10.959 1.00 90.85 ? 428 MET B CG 1 ATOM 3121 S SD . MET B 2 208 ? 64.362 40.291 -12.127 1.00 114.91 ? 428 MET B SD 1 ATOM 3122 C CE . MET B 2 208 ? 64.998 41.833 -11.460 0.50 104.47 ? 428 MET B CE 1 ATOM 3123 N N . HIS B 2 209 ? 64.078 39.436 -6.254 1.00 84.30 ? 429 HIS B N 1 ATOM 3124 C CA . HIS B 2 209 ? 63.312 39.518 -4.986 1.00 87.64 ? 429 HIS B CA 1 ATOM 3125 C C . HIS B 2 209 ? 63.752 40.776 -4.271 1.00 86.38 ? 429 HIS B C 1 ATOM 3126 O O . HIS B 2 209 ? 64.940 41.106 -4.281 1.00 87.76 ? 429 HIS B O 1 ATOM 3127 C CB . HIS B 2 209 ? 63.586 38.272 -4.079 1.00 87.78 ? 429 HIS B CB 1 ATOM 3128 C CG . HIS B 2 209 ? 62.756 38.207 -2.817 1.00 88.40 ? 429 HIS B CG 1 ATOM 3129 N ND1 . HIS B 2 209 ? 63.068 38.921 -1.672 1.00 83.47 ? 429 HIS B ND1 1 ATOM 3130 C CD2 . HIS B 2 209 ? 61.640 37.485 -2.515 1.00 83.24 ? 429 HIS B CD2 1 ATOM 3131 C CE1 . HIS B 2 209 ? 62.181 38.642 -0.726 1.00 83.41 ? 429 HIS B CE1 1 ATOM 3132 N NE2 . HIS B 2 209 ? 61.300 37.779 -1.211 1.00 76.47 ? 429 HIS B NE2 1 ATOM 3133 N N . GLU B 2 210 ? 62.807 41.442 -3.616 1.00 86.06 ? 430 GLU B N 1 ATOM 3134 C CA . GLU B 2 210 ? 63.077 42.717 -2.912 1.00 90.50 ? 430 GLU B CA 1 ATOM 3135 C C . GLU B 2 210 ? 64.210 42.718 -1.884 1.00 89.02 ? 430 GLU B C 1 ATOM 3136 O O . GLU B 2 210 ? 64.873 43.720 -1.689 1.00 94.36 ? 430 GLU B O 1 ATOM 3137 C CB . GLU B 2 210 ? 61.806 43.266 -2.239 1.00 88.46 ? 430 GLU B CB 1 ATOM 3138 C CG . GLU B 2 210 ? 61.128 42.346 -1.228 1.00 82.11 ? 430 GLU B CG 1 ATOM 3139 C CD . GLU B 2 210 ? 59.875 42.979 -0.655 1.00 84.65 ? 430 GLU B CD 1 ATOM 3140 O OE1 . GLU B 2 210 ? 58.764 42.455 -0.937 1.00 76.62 ? 430 GLU B OE1 1 ATOM 3141 O OE2 . GLU B 2 210 ? 60.005 44.011 0.054 1.00 89.72 -1 430 GLU B OE2 1 ATOM 3142 N N . ALA B 2 211 ? 64.413 41.597 -1.213 1.00 91.60 ? 431 ALA B N 1 ATOM 3143 C CA . ALA B 2 211 ? 65.284 41.597 -0.050 1.00 89.24 ? 431 ALA B CA 1 ATOM 3144 C C . ALA B 2 211 ? 66.745 41.498 -0.474 1.00 92.04 ? 431 ALA B C 1 ATOM 3145 O O . ALA B 2 211 ? 67.656 41.780 0.307 1.00 95.29 ? 431 ALA B O 1 ATOM 3146 C CB . ALA B 2 211 ? 64.883 40.495 0.909 1.00 82.20 ? 431 ALA B CB 1 ATOM 3147 N N . LEU B 2 212 ? 66.949 41.151 -1.736 1.00 87.47 ? 432 LEU B N 1 ATOM 3148 C CA . LEU B 2 212 ? 68.268 41.155 -2.306 1.00 89.64 ? 432 LEU B CA 1 ATOM 3149 C C . LEU B 2 212 ? 68.862 42.548 -2.531 1.00 97.77 ? 432 LEU B C 1 ATOM 3150 O O . LEU B 2 212 ? 68.140 43.517 -2.802 1.00 94.27 ? 432 LEU B O 1 ATOM 3151 C CB . LEU B 2 212 ? 68.211 40.468 -3.639 1.00 87.57 ? 432 LEU B CB 1 ATOM 3152 C CG . LEU B 2 212 ? 67.762 39.040 -3.532 1.00 84.98 ? 432 LEU B CG 1 ATOM 3153 C CD1 . LEU B 2 212 ? 67.355 38.524 -4.906 1.00 92.24 ? 432 LEU B CD1 1 ATOM 3154 C CD2 . LEU B 2 212 ? 68.924 38.268 -2.968 1.00 80.17 ? 432 LEU B CD2 1 ATOM 3155 N N . HIS B 2 213 ? 70.190 42.609 -2.376 1.00 105.91 ? 433 HIS B N 1 ATOM 3156 C CA . HIS B 2 213 ? 71.064 43.609 -2.997 1.00 112.79 ? 433 HIS B CA 1 ATOM 3157 C C . HIS B 2 213 ? 70.865 43.531 -4.519 1.00 116.11 ? 433 HIS B C 1 ATOM 3158 O O . HIS B 2 213 ? 71.146 42.499 -5.169 1.00 110.29 ? 433 HIS B O 1 ATOM 3159 C CB . HIS B 2 213 ? 72.536 43.344 -2.597 1.00 115.49 ? 433 HIS B CB 1 ATOM 3160 C CG . HIS B 2 213 ? 73.558 44.135 -3.366 1.00 121.88 ? 433 HIS B CG 1 ATOM 3161 N ND1 . HIS B 2 213 ? 73.813 45.472 -3.122 1.00 125.75 ? 433 HIS B ND1 1 ATOM 3162 C CD2 . HIS B 2 213 ? 74.427 43.762 -4.338 1.00 125.43 ? 433 HIS B CD2 1 ATOM 3163 C CE1 . HIS B 2 213 ? 74.778 45.893 -3.923 1.00 126.68 ? 433 HIS B CE1 1 ATOM 3164 N NE2 . HIS B 2 213 ? 75.165 44.877 -4.674 1.00 130.36 ? 433 HIS B NE2 1 ATOM 3165 N N . ASN B 2 214 ? 70.352 44.636 -5.062 1.00 115.73 ? 434 ASN B N 1 ATOM 3166 C CA . ASN B 2 214 ? 70.069 44.791 -6.489 1.00 113.91 ? 434 ASN B CA 1 ATOM 3167 C C . ASN B 2 214 ? 68.873 43.995 -6.995 1.00 108.72 ? 434 ASN B C 1 ATOM 3168 O O . ASN B 2 214 ? 68.675 43.860 -8.207 1.00 104.95 ? 434 ASN B O 1 ATOM 3169 C CB . ASN B 2 214 ? 71.311 44.498 -7.332 1.00 117.17 ? 434 ASN B CB 1 ATOM 3170 C CG . ASN B 2 214 ? 72.362 45.569 -7.187 1.00 123.79 ? 434 ASN B CG 1 ATOM 3171 O OD1 . ASN B 2 214 ? 72.923 45.752 -6.111 1.00 126.20 ? 434 ASN B OD1 1 ATOM 3172 N ND2 . ASN B 2 214 ? 72.637 46.286 -8.273 1.00 129.29 ? 434 ASN B ND2 1 ATOM 3173 N N . HIS B 2 215 ? 68.084 43.471 -6.060 1.00 102.75 ? 435 HIS B N 1 ATOM 3174 C CA . HIS B 2 215 ? 66.931 42.661 -6.380 1.00 101.01 ? 435 HIS B CA 1 ATOM 3175 C C . HIS B 2 215 ? 67.251 41.541 -7.376 1.00 101.61 ? 435 HIS B C 1 ATOM 3176 O O . HIS B 2 215 ? 66.369 41.055 -8.085 1.00 105.98 ? 435 HIS B O 1 ATOM 3177 C CB . HIS B 2 215 ? 65.794 43.533 -6.903 1.00 105.19 ? 435 HIS B CB 1 ATOM 3178 C CG . HIS B 2 215 ? 65.399 44.635 -5.975 1.00 109.99 ? 435 HIS B CG 1 ATOM 3179 N ND1 . HIS B 2 215 ? 65.766 44.659 -4.648 1.00 111.81 ? 435 HIS B ND1 1 ATOM 3180 C CD2 . HIS B 2 215 ? 64.642 45.740 -6.178 1.00 115.70 ? 435 HIS B CD2 1 ATOM 3181 C CE1 . HIS B 2 215 ? 65.278 45.748 -4.079 1.00 120.04 ? 435 HIS B CE1 1 ATOM 3182 N NE2 . HIS B 2 215 ? 64.588 46.418 -4.984 1.00 121.65 ? 435 HIS B NE2 1 ATOM 3183 N N . TYR B 2 216 ? 68.515 41.138 -7.423 1.00 100.53 ? 436 TYR B N 1 ATOM 3184 C CA . TYR B 2 216 ? 68.969 40.124 -8.358 1.00 97.49 ? 436 TYR B CA 1 ATOM 3185 C C . TYR B 2 216 ? 70.110 39.330 -7.750 1.00 99.30 ? 436 TYR B C 1 ATOM 3186 O O . TYR B 2 216 ? 70.769 39.766 -6.809 1.00 101.38 ? 436 TYR B O 1 ATOM 3187 C CB . TYR B 2 216 ? 69.417 40.788 -9.654 1.00 99.66 ? 436 TYR B CB 1 ATOM 3188 C CG . TYR B 2 216 ? 69.915 39.864 -10.745 1.00 100.12 ? 436 TYR B CG 1 ATOM 3189 C CD1 . TYR B 2 216 ? 71.245 39.437 -10.786 1.00 99.38 ? 436 TYR B CD1 1 ATOM 3190 C CD2 . TYR B 2 216 ? 69.068 39.468 -11.773 1.00 101.47 ? 436 TYR B CD2 1 ATOM 3191 C CE1 . TYR B 2 216 ? 71.699 38.613 -11.799 1.00 100.99 ? 436 TYR B CE1 1 ATOM 3192 C CE2 . TYR B 2 216 ? 69.513 38.645 -12.796 1.00 100.68 ? 436 TYR B CE2 1 ATOM 3193 C CZ . TYR B 2 216 ? 70.824 38.225 -12.808 1.00 101.25 ? 436 TYR B CZ 1 ATOM 3194 O OH . TYR B 2 216 ? 71.229 37.391 -13.827 1.00 102.44 ? 436 TYR B OH 1 ATOM 3195 N N . THR B 2 217 ? 70.298 38.135 -8.283 1.00 100.95 ? 437 THR B N 1 ATOM 3196 C CA . THR B 2 217 ? 71.451 37.290 -8.003 1.00 103.06 ? 437 THR B CA 1 ATOM 3197 C C . THR B 2 217 ? 71.439 36.177 -9.054 1.00 103.74 ? 437 THR B C 1 ATOM 3198 O O . THR B 2 217 ? 70.400 35.649 -9.444 1.00 103.26 ? 437 THR B O 1 ATOM 3199 C CB . THR B 2 217 ? 71.523 36.747 -6.530 1.00 97.75 ? 437 THR B CB 1 ATOM 3200 O OG1 . THR B 2 217 ? 72.407 35.616 -6.456 1.00 93.26 ? 437 THR B OG1 1 ATOM 3201 C CG2 . THR B 2 217 ? 70.141 36.334 -5.981 1.00 89.23 ? 437 THR B CG2 1 ATOM 3202 N N . GLN B 2 218 ? 72.608 35.885 -9.566 1.00 109.87 ? 438 GLN B N 1 ATOM 3203 C CA . GLN B 2 218 ? 72.774 34.734 -10.384 1.00 107.92 ? 438 GLN B CA 1 ATOM 3204 C C . GLN B 2 218 ? 73.420 33.706 -9.468 1.00 106.03 ? 438 GLN B C 1 ATOM 3205 O O . GLN B 2 218 ? 74.030 34.054 -8.448 1.00 100.39 ? 438 GLN B O 1 ATOM 3206 C CB . GLN B 2 218 ? 73.691 35.090 -11.557 1.00 118.06 ? 438 GLN B CB 1 ATOM 3207 C CG . GLN B 2 218 ? 73.721 34.066 -12.675 1.00 117.97 ? 438 GLN B CG 1 ATOM 3208 C CD . GLN B 2 218 ? 73.615 34.705 -14.045 1.00 118.54 ? 438 GLN B CD 1 ATOM 3209 O OE1 . GLN B 2 218 ? 74.526 35.401 -14.499 1.00 120.73 ? 438 GLN B OE1 1 ATOM 3210 N NE2 . GLN B 2 218 ? 72.494 34.465 -14.715 1.00 114.77 ? 438 GLN B NE2 1 ATOM 3211 N N . LYS B 2 219 ? 73.229 32.441 -9.823 1.00 107.38 ? 439 LYS B N 1 ATOM 3212 C CA . LYS B 2 219 ? 74.057 31.316 -9.381 1.00 107.59 ? 439 LYS B CA 1 ATOM 3213 C C . LYS B 2 219 ? 74.104 30.345 -10.580 1.00 114.94 ? 439 LYS B C 1 ATOM 3214 O O . LYS B 2 219 ? 73.157 30.302 -11.383 1.00 119.34 ? 439 LYS B O 1 ATOM 3215 C CB . LYS B 2 219 ? 73.501 30.666 -8.109 1.00 102.97 ? 439 LYS B CB 1 ATOM 3216 C CG . LYS B 2 219 ? 74.336 30.840 -6.829 1.00 110.68 ? 439 LYS B CG 1 ATOM 3217 C CD . LYS B 2 219 ? 74.370 32.261 -6.254 1.00 113.34 ? 439 LYS B CD 1 ATOM 3218 C CE . LYS B 2 219 ? 74.192 32.303 -4.732 1.00 117.11 ? 439 LYS B CE 1 ATOM 3219 N NZ . LYS B 2 219 ? 75.164 31.498 -3.930 1.00 116.58 ? 439 LYS B NZ 1 ATOM 3220 N N . SER B 2 220 ? 75.207 29.604 -10.730 1.00 121.91 ? 440 SER B N 1 ATOM 3221 C CA . SER B 2 220 ? 75.484 28.851 -11.969 1.00 120.59 ? 440 SER B CA 1 ATOM 3222 C C . SER B 2 220 ? 76.258 27.565 -11.726 1.00 121.80 ? 440 SER B C 1 ATOM 3223 O O . SER B 2 220 ? 77.003 27.450 -10.752 1.00 127.42 ? 440 SER B O 1 ATOM 3224 C CB . SER B 2 220 ? 76.269 29.727 -12.937 1.00 129.49 ? 440 SER B CB 1 ATOM 3225 O OG . SER B 2 220 ? 75.918 31.095 -12.764 1.00 135.49 ? 440 SER B OG 1 ATOM 3226 N N . LEU B 2 221 ? 76.096 26.599 -12.622 1.00 120.40 ? 441 LEU B N 1 ATOM 3227 C CA . LEU B 2 221 ? 76.731 25.289 -12.437 1.00 116.84 ? 441 LEU B CA 1 ATOM 3228 C C . LEU B 2 221 ? 76.985 24.588 -13.774 1.00 113.06 ? 441 LEU B C 1 ATOM 3229 O O . LEU B 2 221 ? 76.372 24.917 -14.797 1.00 110.40 ? 441 LEU B O 1 ATOM 3230 C CB . LEU B 2 221 ? 75.903 24.401 -11.475 1.00 109.59 ? 441 LEU B CB 1 ATOM 3231 C CG . LEU B 2 221 ? 74.628 23.711 -11.987 1.00 107.23 ? 441 LEU B CG 1 ATOM 3232 C CD1 . LEU B 2 221 ? 74.094 22.669 -11.011 1.00 107.18 ? 441 LEU B CD1 1 ATOM 3233 C CD2 . LEU B 2 221 ? 73.537 24.713 -12.334 1.00 105.17 ? 441 LEU B CD2 1 ATOM 3234 N N . SER B 2 222 ? 77.880 23.609 -13.742 1.00 110.32 ? 442 SER B N 1 ATOM 3235 C CA . SER B 2 222 ? 78.333 22.936 -14.944 1.00 117.68 ? 442 SER B CA 1 ATOM 3236 C C . SER B 2 222 ? 79.082 21.668 -14.567 1.00 123.88 ? 442 SER B C 1 ATOM 3237 O O . SER B 2 222 ? 79.733 21.621 -13.521 1.00 130.18 ? 442 SER B O 1 ATOM 3238 C CB . SER B 2 222 ? 79.248 23.866 -15.749 1.00 124.02 ? 442 SER B CB 1 ATOM 3239 O OG . SER B 2 222 ? 79.967 24.772 -14.909 1.00 126.00 ? 442 SER B OG 1 ATOM 3240 N N . LEU B 2 223 ? 78.995 20.654 -15.432 1.00 124.23 ? 443 LEU B N 1 ATOM 3241 C CA . LEU B 2 223 ? 79.661 19.354 -15.227 1.00 126.63 ? 443 LEU B CA 1 ATOM 3242 C C . LEU B 2 223 ? 80.421 19.132 -13.894 1.00 124.05 ? 443 LEU B C 1 ATOM 3243 O O . LEU B 2 223 ? 81.638 19.346 -13.801 1.00 123.31 ? 443 LEU B O 1 ATOM 3244 C CB . LEU B 2 223 ? 80.606 19.082 -16.395 1.00 133.85 ? 443 LEU B CB 1 ATOM 3245 C CG . LEU B 2 223 ? 80.627 17.600 -16.757 1.00 135.35 ? 443 LEU B CG 1 ATOM 3246 C CD1 . LEU B 2 223 ? 79.225 17.122 -17.153 1.00 120.71 ? 443 LEU B CD1 1 ATOM 3247 C CD2 . LEU B 2 223 ? 81.668 17.357 -17.851 1.00 142.19 ? 443 LEU B CD2 1 HETATM 3248 C C1 . NAG C 3 . ? 26.965 31.928 -0.622 1.00 30.75 ? 501 NAG A C1 1 HETATM 3249 C C2 . NAG C 3 . ? 27.360 32.111 -2.083 1.00 30.40 ? 501 NAG A C2 1 HETATM 3250 C C3 . NAG C 3 . ? 27.922 30.814 -2.712 1.00 33.84 ? 501 NAG A C3 1 HETATM 3251 C C4 . NAG C 3 . ? 28.934 30.097 -1.819 1.00 33.02 ? 501 NAG A C4 1 HETATM 3252 C C5 . NAG C 3 . ? 28.269 29.899 -0.458 1.00 31.11 ? 501 NAG A C5 1 HETATM 3253 C C6 . NAG C 3 . ? 29.220 29.200 0.491 1.00 29.16 ? 501 NAG A C6 1 HETATM 3254 C C7 . NAG C 3 . ? 26.060 33.759 -3.281 1.00 36.28 ? 501 NAG A C7 1 HETATM 3255 C C8 . NAG C 3 . ? 24.854 34.126 -4.135 1.00 28.81 ? 501 NAG A C8 1 HETATM 3256 N N2 . NAG C 3 . ? 26.222 32.503 -2.883 1.00 31.36 ? 501 NAG A N2 1 HETATM 3257 O O3 . NAG C 3 . ? 28.469 31.048 -4.007 1.00 33.43 ? 501 NAG A O3 1 HETATM 3258 O O4 . NAG C 3 . ? 29.316 28.838 -2.364 1.00 36.11 ? 501 NAG A O4 1 HETATM 3259 O O5 . NAG C 3 . ? 27.956 31.172 0.058 1.00 30.37 ? 501 NAG A O5 1 HETATM 3260 O O6 . NAG C 3 . ? 30.341 30.013 0.660 1.00 33.56 ? 501 NAG A O6 1 HETATM 3261 O O7 . NAG C 3 . ? 26.886 34.617 -2.941 1.00 43.52 ? 501 NAG A O7 1 HETATM 3262 C C1 . NAG D 3 . ? 30.577 28.943 -3.043 1.00 36.08 ? 502 NAG A C1 1 HETATM 3263 C C2 . NAG D 3 . ? 31.285 27.625 -2.890 1.00 33.33 ? 502 NAG A C2 1 HETATM 3264 C C3 . NAG D 3 . ? 32.474 27.553 -3.840 1.00 32.80 ? 502 NAG A C3 1 HETATM 3265 C C4 . NAG D 3 . ? 32.081 27.753 -5.307 1.00 34.23 ? 502 NAG A C4 1 HETATM 3266 C C5 . NAG D 3 . ? 31.352 29.074 -5.374 1.00 32.73 ? 502 NAG A C5 1 HETATM 3267 C C6 . NAG D 3 . ? 30.716 29.207 -6.727 1.00 32.88 ? 502 NAG A C6 1 HETATM 3268 C C7 . NAG D 3 . ? 31.331 26.544 -0.654 1.00 34.90 ? 502 NAG A C7 1 HETATM 3269 C C8 . NAG D 3 . ? 32.039 26.482 0.640 1.00 32.28 ? 502 NAG A C8 1 HETATM 3270 N N2 . NAG D 3 . ? 31.776 27.440 -1.551 1.00 39.16 ? 502 NAG A N2 1 HETATM 3271 O O3 . NAG D 3 . ? 33.146 26.334 -3.682 1.00 30.50 ? 502 NAG A O3 1 HETATM 3272 O O4 . NAG D 3 . ? 33.193 27.942 -6.168 1.00 37.00 ? 502 NAG A O4 1 HETATM 3273 O O5 . NAG D 3 . ? 30.284 29.109 -4.430 1.00 40.95 ? 502 NAG A O5 1 HETATM 3274 O O6 . NAG D 3 . ? 29.898 30.363 -6.722 1.00 33.09 ? 502 NAG A O6 1 HETATM 3275 O O7 . NAG D 3 . ? 30.409 25.771 -0.823 1.00 37.61 ? 502 NAG A O7 1 HETATM 3276 C C1 . BMA E 4 . ? 33.773 26.758 -6.746 1.00 36.14 ? 503 BMA A C1 1 HETATM 3277 C C2 . BMA E 4 . ? 34.430 26.978 -8.123 1.00 39.58 ? 503 BMA A C2 1 HETATM 3278 C C3 . BMA E 4 . ? 35.062 25.656 -8.509 1.00 43.54 ? 503 BMA A C3 1 HETATM 3279 C C4 . BMA E 4 . ? 36.234 25.386 -7.593 1.00 41.47 ? 503 BMA A C4 1 HETATM 3280 C C5 . BMA E 4 . ? 35.701 25.299 -6.169 1.00 39.06 ? 503 BMA A C5 1 HETATM 3281 C C6 . BMA E 4 . ? 36.794 25.319 -5.127 1.00 35.07 ? 503 BMA A C6 1 HETATM 3282 O O2 . BMA E 4 . ? 35.504 27.906 -8.079 1.00 40.58 ? 503 BMA A O2 1 HETATM 3283 O O3 . BMA E 4 . ? 35.521 25.469 -9.828 1.00 47.48 ? 503 BMA A O3 1 HETATM 3284 O O4 . BMA E 4 . ? 36.668 24.081 -7.950 1.00 44.45 ? 503 BMA A O4 1 HETATM 3285 O O5 . BMA E 4 . ? 34.710 26.263 -5.793 1.00 36.53 ? 503 BMA A O5 1 HETATM 3286 O O6 . BMA E 4 . ? 36.227 24.389 -4.191 1.00 36.85 ? 503 BMA A O6 1 HETATM 3287 C C1 . BMA F 4 . ? 36.345 24.928 -2.899 1.00 37.08 ? 504 BMA A C1 1 HETATM 3288 C C2 . BMA F 4 . ? 35.801 24.154 -1.714 1.00 39.78 ? 504 BMA A C2 1 HETATM 3289 C C3 . BMA F 4 . ? 35.301 25.358 -0.920 1.00 41.71 ? 504 BMA A C3 1 HETATM 3290 C C4 . BMA F 4 . ? 36.442 26.371 -0.753 1.00 40.18 ? 504 BMA A C4 1 HETATM 3291 C C5 . BMA F 4 . ? 37.002 26.692 -2.133 1.00 42.58 ? 504 BMA A C5 1 HETATM 3292 C C6 . BMA F 4 . ? 37.960 27.847 -2.260 1.00 43.31 ? 504 BMA A C6 1 HETATM 3293 O O2 . BMA F 4 . ? 36.830 23.493 -0.998 1.00 38.83 ? 504 BMA A O2 1 HETATM 3294 O O3 . BMA F 4 . ? 34.892 24.873 0.316 1.00 47.69 ? 504 BMA A O3 1 HETATM 3295 O O4 . BMA F 4 . ? 35.987 27.541 -0.159 1.00 39.05 ? 504 BMA A O4 1 HETATM 3296 O O5 . BMA F 4 . ? 37.578 25.495 -2.595 1.00 36.71 ? 504 BMA A O5 1 HETATM 3297 O O6 . BMA F 4 . ? 39.051 27.397 -1.523 1.00 49.92 ? 504 BMA A O6 1 HETATM 3298 C C1 . NAG G 3 . ? 36.910 22.061 -1.160 1.00 38.78 ? 505 NAG A C1 1 HETATM 3299 C C2 . NAG G 3 . ? 38.033 21.534 -0.311 1.00 39.38 ? 505 NAG A C2 1 HETATM 3300 C C3 . NAG G 3 . ? 38.138 20.052 -0.532 1.00 40.94 ? 505 NAG A C3 1 HETATM 3301 C C4 . NAG G 3 . ? 36.923 19.298 -0.060 1.00 43.45 ? 505 NAG A C4 1 HETATM 3302 C C5 . NAG G 3 . ? 35.782 19.934 -0.804 1.00 45.69 ? 505 NAG A C5 1 HETATM 3303 C C6 . NAG G 3 . ? 34.506 19.259 -0.272 1.00 47.49 ? 505 NAG A C6 1 HETATM 3304 C C7 . NAG G 3 . ? 39.801 23.183 -0.339 1.00 48.14 ? 505 NAG A C7 1 HETATM 3305 C C8 . NAG G 3 . ? 41.066 23.625 -1.016 1.00 44.59 ? 505 NAG A C8 1 HETATM 3306 N N2 . NAG G 3 . ? 39.263 22.079 -0.825 1.00 45.84 ? 505 NAG A N2 1 HETATM 3307 O O3 . NAG G 3 . ? 39.254 19.620 0.169 1.00 41.56 ? 505 NAG A O3 1 HETATM 3308 O O4 . NAG G 3 . ? 37.031 17.974 -0.539 1.00 50.96 ? 505 NAG A O4 1 HETATM 3309 O O5 . NAG G 3 . ? 35.806 21.367 -0.703 1.00 43.25 ? 505 NAG A O5 1 HETATM 3310 O O6 . NAG G 3 . ? 34.049 19.779 0.967 1.00 44.13 ? 505 NAG A O6 1 HETATM 3311 O O7 . NAG G 3 . ? 39.295 23.793 0.609 1.00 52.89 ? 505 NAG A O7 1 HETATM 3312 C C1 . BMA H 4 . ? 35.255 26.524 -10.711 1.00 62.08 ? 506 BMA A C1 1 HETATM 3313 C C2 . BMA H 4 . ? 36.422 26.544 -11.701 1.00 68.92 ? 506 BMA A C2 1 HETATM 3314 C C3 . BMA H 4 . ? 36.246 27.636 -12.752 1.00 71.07 ? 506 BMA A C3 1 HETATM 3315 C C4 . BMA H 4 . ? 34.793 27.849 -13.146 1.00 75.94 ? 506 BMA A C4 1 HETATM 3316 C C5 . BMA H 4 . ? 33.807 27.613 -11.985 1.00 75.14 ? 506 BMA A C5 1 HETATM 3317 C C6 . BMA H 4 . ? 32.339 27.695 -12.359 1.00 78.73 ? 506 BMA A C6 1 HETATM 3318 O O2 . BMA H 4 . ? 36.754 25.240 -12.179 1.00 70.37 ? 506 BMA A O2 1 HETATM 3319 O O3 . BMA H 4 . ? 36.957 27.280 -13.901 1.00 80.97 ? 506 BMA A O3 1 HETATM 3320 O O4 . BMA H 4 . ? 34.777 29.188 -13.570 1.00 77.76 ? 506 BMA A O4 1 HETATM 3321 O O5 . BMA H 4 . ? 34.035 26.365 -11.379 1.00 67.56 ? 506 BMA A O5 1 HETATM 3322 O O6 . BMA H 4 . ? 31.571 28.056 -11.226 1.00 70.46 ? 506 BMA A O6 1 HETATM 3323 C C1 . GAL I 5 . ? 36.674 16.913 0.385 1.00 60.14 ? 507 GAL A C1 1 HETATM 3324 C C2 . GAL I 5 . ? 37.004 15.489 -0.174 1.00 55.92 ? 507 GAL A C2 1 HETATM 3325 C C3 . GAL I 5 . ? 36.983 14.412 0.909 1.00 52.38 ? 507 GAL A C3 1 HETATM 3326 C C4 . GAL I 5 . ? 37.540 14.894 2.244 1.00 53.34 ? 507 GAL A C4 1 HETATM 3327 C C5 . GAL I 5 . ? 37.126 16.308 2.638 1.00 60.95 ? 507 GAL A C5 1 HETATM 3328 C C6 . GAL I 5 . ? 37.887 16.864 3.856 1.00 58.65 ? 507 GAL A C6 1 HETATM 3329 O O2 . GAL I 5 . ? 36.168 15.020 -1.236 1.00 45.05 ? 507 GAL A O2 1 HETATM 3330 O O3 . GAL I 5 . ? 37.664 13.241 0.445 1.00 64.68 ? 507 GAL A O3 1 HETATM 3331 O O4 . GAL I 5 . ? 38.912 14.951 2.133 1.00 56.01 ? 507 GAL A O4 1 HETATM 3332 O O5 . GAL I 5 . ? 37.438 17.123 1.547 1.00 65.85 ? 507 GAL A O5 1 HETATM 3333 O O6 . GAL I 5 . ? 37.158 17.890 4.519 1.00 58.36 ? 507 GAL A O6 1 HETATM 3334 C C1 . FUC J 6 . ? 30.643 30.307 2.042 1.00 34.20 ? 508 FUC A C1 1 HETATM 3335 C C2 . FUC J 6 . ? 32.082 30.742 2.169 1.00 31.72 ? 508 FUC A C2 1 HETATM 3336 C C3 . FUC J 6 . ? 32.266 32.000 1.421 1.00 34.30 ? 508 FUC A C3 1 HETATM 3337 C C4 . FUC J 6 . ? 31.420 33.093 2.047 1.00 40.44 ? 508 FUC A C4 1 HETATM 3338 C C5 . FUC J 6 . ? 29.963 32.670 2.083 1.00 39.55 ? 508 FUC A C5 1 HETATM 3339 C C6 . FUC J 6 . ? 29.133 33.624 2.927 1.00 40.03 ? 508 FUC A C6 1 HETATM 3340 O O2 . FUC J 6 . ? 32.960 29.915 1.448 1.00 34.81 ? 508 FUC A O2 1 HETATM 3341 O O3 . FUC J 6 . ? 33.637 32.258 1.621 1.00 35.55 ? 508 FUC A O3 1 HETATM 3342 O O4 . FUC J 6 . ? 31.816 33.316 3.394 1.00 46.54 ? 508 FUC A O4 1 HETATM 3343 O O5 . FUC J 6 . ? 29.840 31.344 2.621 1.00 37.18 ? 508 FUC A O5 1 HETATM 3344 C C1 . NAG K 3 . ? 35.986 24.616 -13.230 1.00 75.61 ? 509 NAG A C1 1 HETATM 3345 C C2 . NAG K 3 . ? 36.819 23.421 -13.754 1.00 77.02 ? 509 NAG A C2 1 HETATM 3346 C C3 . NAG K 3 . ? 36.100 22.066 -13.933 1.00 69.74 ? 509 NAG A C3 1 HETATM 3347 C C4 . NAG K 3 . ? 34.701 22.023 -13.327 1.00 70.12 ? 509 NAG A C4 1 HETATM 3348 C C5 . NAG K 3 . ? 34.016 23.342 -13.659 1.00 71.47 ? 509 NAG A C5 1 HETATM 3349 C C6 . NAG K 3 . ? 32.505 23.355 -13.445 1.00 65.83 ? 509 NAG A C6 1 HETATM 3350 C C7 . NAG K 3 . ? 38.388 24.664 -15.246 1.00 89.32 ? 509 NAG A C7 1 HETATM 3351 C C8 . NAG K 3 . ? 38.700 25.047 -16.662 1.00 88.74 ? 509 NAG A C8 1 HETATM 3352 N N2 . NAG K 3 . ? 37.311 23.887 -15.058 1.00 90.69 ? 509 NAG A N2 1 HETATM 3353 O O3 . NAG K 3 . ? 36.868 20.948 -13.511 1.00 62.46 ? 509 NAG A O3 1 HETATM 3354 O O4 . NAG K 3 . ? 33.979 20.932 -13.876 1.00 73.35 ? 509 NAG A O4 1 HETATM 3355 O O5 . NAG K 3 . ? 34.633 24.363 -12.896 1.00 74.93 ? 509 NAG A O5 1 HETATM 3356 O O6 . NAG K 3 . ? 32.123 24.714 -13.509 1.00 62.91 ? 509 NAG A O6 1 HETATM 3357 O O7 . NAG K 3 . ? 39.127 25.058 -14.339 1.00 91.27 ? 509 NAG A O7 1 HETATM 3358 C C1 . NAG L 3 . ? 31.818 32.995 -18.442 1.00 82.11 ? 501 NAG B C1 1 HETATM 3359 C C2 . NAG L 3 . ? 33.007 32.723 -19.355 1.00 79.24 ? 501 NAG B C2 1 HETATM 3360 C C3 . NAG L 3 . ? 34.212 32.301 -18.518 1.00 75.84 ? 501 NAG B C3 1 HETATM 3361 C C4 . NAG L 3 . ? 34.356 32.969 -17.147 1.00 76.51 ? 501 NAG B C4 1 HETATM 3362 C C5 . NAG L 3 . ? 33.064 33.452 -16.504 1.00 76.28 ? 501 NAG B C5 1 HETATM 3363 C C6 . NAG L 3 . ? 33.372 34.508 -15.433 1.00 78.51 ? 501 NAG B C6 1 HETATM 3364 C C7 . NAG L 3 . ? 32.902 31.653 -21.623 1.00 82.28 ? 501 NAG B C7 1 HETATM 3365 C C8 . NAG L 3 . ? 32.376 30.467 -22.390 1.00 79.32 ? 501 NAG B C8 1 HETATM 3366 N N2 . NAG L 3 . ? 32.621 31.685 -20.311 1.00 83.16 ? 501 NAG B N2 1 HETATM 3367 O O3 . NAG L 3 . ? 35.393 32.515 -19.255 1.00 73.04 ? 501 NAG B O3 1 HETATM 3368 O O4 . NAG L 3 . ? 34.801 31.923 -16.334 1.00 84.35 ? 501 NAG B O4 1 HETATM 3369 O O5 . NAG L 3 . ? 32.190 33.962 -17.483 1.00 78.31 ? 501 NAG B O5 1 HETATM 3370 O O6 . NAG L 3 . ? 32.396 35.532 -15.281 1.00 79.31 ? 501 NAG B O6 1 HETATM 3371 O O7 . NAG L 3 . ? 33.554 32.518 -22.212 1.00 82.87 ? 501 NAG B O7 1 HETATM 3372 C C1 . NAG M 3 . ? 36.027 32.155 -15.593 1.00 97.93 ? 502 NAG B C1 1 HETATM 3373 C C2 . NAG M 3 . ? 37.320 32.510 -16.376 1.00 104.53 ? 502 NAG B C2 1 HETATM 3374 C C3 . NAG M 3 . ? 38.509 32.874 -15.423 1.00 103.45 ? 502 NAG B C3 1 HETATM 3375 C C4 . NAG M 3 . ? 38.169 33.133 -13.929 1.00 102.64 ? 502 NAG B C4 1 HETATM 3376 C C5 . NAG M 3 . ? 36.851 32.429 -13.575 1.00 102.89 ? 502 NAG B C5 1 HETATM 3377 C C6 . NAG M 3 . ? 36.390 32.464 -12.119 1.00 106.17 ? 502 NAG B C6 1 HETATM 3378 C C7 . NAG M 3 . ? 38.302 31.315 -18.429 1.00 98.85 ? 502 NAG B C7 1 HETATM 3379 C C8 . NAG M 3 . ? 38.362 29.966 -19.110 1.00 87.60 ? 502 NAG B C8 1 HETATM 3380 N N2 . NAG M 3 . ? 37.591 31.368 -17.281 1.00 107.02 ? 502 NAG B N2 1 HETATM 3381 O O3 . NAG M 3 . ? 39.220 33.999 -15.914 1.00 96.43 ? 502 NAG B O3 1 HETATM 3382 O O4 . NAG M 3 . ? 39.195 32.696 -13.040 1.00 103.04 ? 502 NAG B O4 1 HETATM 3383 O O5 . NAG M 3 . ? 35.861 32.942 -14.437 1.00 99.73 ? 502 NAG B O5 1 HETATM 3384 O O6 . NAG M 3 . ? 35.892 31.177 -11.804 1.00 107.08 ? 502 NAG B O6 1 HETATM 3385 O O7 . NAG M 3 . ? 38.896 32.279 -18.933 1.00 98.14 ? 502 NAG B O7 1 HETATM 3386 C C1 . BMA N 4 . ? 40.132 33.725 -12.621 1.00 101.38 ? 503 BMA B C1 1 HETATM 3387 C C2 . BMA N 4 . ? 39.727 34.469 -11.324 1.00 105.94 ? 503 BMA B C2 1 HETATM 3388 C C3 . BMA N 4 . ? 40.899 35.160 -10.545 1.00 101.48 ? 503 BMA B C3 1 HETATM 3389 C C4 . BMA N 4 . ? 42.227 35.249 -11.372 1.00 98.25 ? 503 BMA B C4 1 HETATM 3390 C C5 . BMA N 4 . ? 42.373 34.309 -12.587 1.00 93.60 ? 503 BMA B C5 1 HETATM 3391 C C6 . BMA N 4 . ? 43.802 33.793 -12.800 1.00 88.67 ? 503 BMA B C6 1 HETATM 3392 O O2 . BMA N 4 . ? 38.875 33.657 -10.507 1.00 115.81 ? 503 BMA B O2 1 HETATM 3393 O O3 . BMA N 4 . ? 41.094 34.958 -9.073 1.00 100.48 ? 503 BMA B O3 1 HETATM 3394 O O4 . BMA N 4 . ? 42.387 36.583 -11.910 1.00 89.68 ? 503 BMA B O4 1 HETATM 3395 O O5 . BMA N 4 . ? 41.460 33.226 -12.486 1.00 90.33 ? 503 BMA B O5 1 HETATM 3396 O O6 . BMA N 4 . ? 44.249 34.070 -14.139 1.00 73.24 ? 503 BMA B O6 1 HETATM 3397 C C1 . BMA O 4 . ? 40.490 33.846 -8.302 1.00 109.88 ? 504 BMA B C1 1 HETATM 3398 C C2 . BMA O 4 . ? 41.210 33.379 -6.995 1.00 115.54 ? 504 BMA B C2 1 HETATM 3399 C C3 . BMA O 4 . ? 40.739 31.905 -6.784 1.00 111.83 ? 504 BMA B C3 1 HETATM 3400 C C4 . BMA O 4 . ? 39.215 31.847 -6.600 1.00 97.66 ? 504 BMA B C4 1 HETATM 3401 C C5 . BMA O 4 . ? 38.572 32.560 -7.797 1.00 95.88 ? 504 BMA B C5 1 HETATM 3402 C C6 . BMA O 4 . ? 37.053 32.551 -7.783 1.00 90.83 ? 504 BMA B C6 1 HETATM 3403 O O2 . BMA O 4 . ? 41.038 34.281 -5.869 1.00 115.37 ? 504 BMA B O2 1 HETATM 3404 O O3 . BMA O 4 . ? 41.421 31.169 -5.772 1.00 110.55 ? 504 BMA B O3 1 HETATM 3405 O O4 . BMA O 4 . ? 38.819 30.501 -6.508 1.00 88.86 ? 504 BMA B O4 1 HETATM 3406 O O5 . BMA O 4 . ? 39.084 33.880 -8.006 1.00 103.33 ? 504 BMA B O5 1 HETATM 3407 O O6 . BMA O 4 . ? 36.702 31.520 -8.695 1.00 101.47 ? 504 BMA B O6 1 HETATM 3408 C C1 . FUC P 6 . ? 31.139 35.032 -14.745 1.00 78.65 ? 505 FUC B C1 1 HETATM 3409 C C2 . FUC P 6 . ? 31.037 35.106 -13.209 1.00 78.98 ? 505 FUC B C2 1 HETATM 3410 C C3 . FUC P 6 . ? 29.607 35.410 -12.724 1.00 79.46 ? 505 FUC B C3 1 HETATM 3411 C C4 . FUC P 6 . ? 28.450 34.912 -13.619 1.00 79.66 ? 505 FUC B C4 1 HETATM 3412 C C5 . FUC P 6 . ? 28.692 35.113 -15.129 1.00 79.75 ? 505 FUC B C5 1 HETATM 3413 C C6 . FUC P 6 . ? 28.363 33.875 -15.982 1.00 76.12 ? 505 FUC B C6 1 HETATM 3414 O O2 . FUC P 6 . ? 31.971 36.049 -12.639 1.00 73.21 ? 505 FUC B O2 1 HETATM 3415 O O3 . FUC P 6 . ? 29.432 34.862 -11.409 1.00 82.10 ? 505 FUC B O3 1 HETATM 3416 O O4 . FUC P 6 . ? 28.092 33.547 -13.321 1.00 74.40 ? 505 FUC B O4 1 HETATM 3417 O O5 . FUC P 6 . ? 30.010 35.637 -15.397 1.00 77.46 ? 505 FUC B O5 1 HETATM 3418 C C1 . NAG Q 3 . ? 40.392 33.757 -4.651 1.00 112.02 ? 506 NAG B C1 1 HETATM 3419 C C2 . NAG Q 3 . ? 41.325 33.487 -3.444 1.00 107.42 ? 506 NAG B C2 1 HETATM 3420 C C3 . NAG Q 3 . ? 40.574 32.765 -2.321 1.00 96.60 ? 506 NAG B C3 1 HETATM 3421 C C4 . NAG Q 3 . ? 39.168 33.309 -2.035 1.00 89.46 ? 506 NAG B C4 1 HETATM 3422 C C5 . NAG Q 3 . ? 38.422 33.910 -3.242 1.00 87.90 ? 506 NAG B C5 1 HETATM 3423 C C6 . NAG Q 3 . ? 37.539 35.047 -2.749 1.00 86.18 ? 506 NAG B C6 1 HETATM 3424 C C7 . NAG Q 3 . ? 43.724 32.870 -3.490 1.00 100.82 ? 506 NAG B C7 1 HETATM 3425 C C8 . NAG Q 3 . ? 44.706 31.810 -3.901 1.00 100.14 ? 506 NAG B C8 1 HETATM 3426 N N2 . NAG Q 3 . ? 42.446 32.607 -3.762 1.00 107.07 ? 506 NAG B N2 1 HETATM 3427 O O3 . NAG Q 3 . ? 41.373 32.810 -1.152 1.00 91.31 ? 506 NAG B O3 1 HETATM 3428 O O4 . NAG Q 3 . ? 38.402 32.245 -1.505 1.00 77.86 ? 506 NAG B O4 1 HETATM 3429 O O5 . NAG Q 3 . ? 39.244 34.491 -4.241 1.00 99.40 ? 506 NAG B O5 1 HETATM 3430 O O6 . NAG Q 3 . ? 36.259 34.547 -2.452 1.00 81.49 ? 506 NAG B O6 1 HETATM 3431 O O7 . NAG Q 3 . ? 44.111 33.908 -2.950 1.00 92.06 ? 506 NAG B O7 1 HETATM 3432 O O . HOH R 7 . ? 24.700 28.416 -0.538 1.00 70.55 ? 601 HOH A O 1 HETATM 3433 O O . HOH R 7 . ? 18.438 13.635 -7.550 1.00 59.87 ? 602 HOH A O 1 HETATM 3434 O O . HOH R 7 . ? 27.408 13.965 -15.581 1.00 59.43 ? 603 HOH A O 1 HETATM 3435 O O . HOH R 7 . ? 37.811 6.954 -11.251 1.00 61.81 ? 604 HOH A O 1 HETATM 3436 O O . HOH R 7 . ? 39.828 21.413 -3.355 1.00 74.58 ? 605 HOH A O 1 HETATM 3437 O O . HOH R 7 . ? 46.086 14.095 -12.385 1.00 65.69 ? 606 HOH A O 1 HETATM 3438 O O . HOH R 7 . ? 68.688 4.933 -3.195 1.00 90.30 ? 607 HOH A O 1 HETATM 3439 O O . HOH R 7 . ? 28.083 6.503 -12.853 1.00 56.00 ? 608 HOH A O 1 HETATM 3440 O O . HOH R 7 . ? 35.339 21.808 -8.985 1.00 70.91 ? 609 HOH A O 1 HETATM 3441 O O . HOH R 7 . ? 7.923 25.634 -1.208 1.00 75.25 ? 610 HOH A O 1 HETATM 3442 O O . HOH R 7 . ? 51.136 -3.708 -8.097 1.00 77.69 ? 611 HOH A O 1 HETATM 3443 O O . HOH R 7 . ? 14.857 21.353 3.250 1.00 51.70 ? 612 HOH A O 1 HETATM 3444 O O . HOH R 7 . ? 18.958 6.332 -1.708 1.00 51.36 ? 613 HOH A O 1 HETATM 3445 O O . HOH R 7 . ? 25.092 20.393 4.106 1.00 61.23 ? 614 HOH A O 1 HETATM 3446 O O . HOH R 7 . ? 20.568 1.551 -11.513 1.00 63.23 ? 615 HOH A O 1 HETATM 3447 O O . HOH R 7 . ? 46.418 14.171 -0.280 1.00 60.96 ? 616 HOH A O 1 HETATM 3448 O O . HOH R 7 . ? 27.774 28.986 8.584 1.00 70.94 ? 617 HOH A O 1 HETATM 3449 O O . HOH R 7 . ? 30.664 -0.608 -6.539 1.00 66.44 ? 618 HOH A O 1 HETATM 3450 O O . HOH R 7 . ? 18.461 12.570 -1.048 1.00 53.98 ? 619 HOH A O 1 HETATM 3451 O O . HOH R 7 . ? 32.932 -4.555 -9.862 1.00 27.71 ? 620 HOH A O 1 HETATM 3452 O O . HOH R 7 . ? 54.161 19.226 2.847 1.00 67.71 ? 621 HOH A O 1 HETATM 3453 O O . HOH R 7 . ? 14.835 18.718 -10.195 1.00 62.31 ? 622 HOH A O 1 HETATM 3454 O O . HOH R 7 . ? 26.008 23.674 -11.511 1.00 48.60 ? 623 HOH A O 1 HETATM 3455 O O . HOH R 7 . ? 75.808 8.134 -0.361 1.00 77.76 ? 624 HOH A O 1 HETATM 3456 O O . HOH R 7 . ? 30.828 20.007 4.232 1.00 72.33 ? 625 HOH A O 1 HETATM 3457 O O . HOH R 7 . ? 37.929 -0.000 0.000 0.50 31.99 ? 626 HOH A O 1 HETATM 3458 O O . HOH R 7 . ? 32.142 20.618 -10.298 1.00 55.06 ? 627 HOH A O 1 HETATM 3459 O O . HOH R 7 . ? 31.863 11.914 5.931 1.00 58.55 ? 628 HOH A O 1 HETATM 3460 O O . HOH R 7 . ? 35.540 22.384 2.515 1.00 68.99 ? 629 HOH A O 1 HETATM 3461 O O . HOH R 7 . ? 73.076 8.101 -1.588 1.00 82.51 ? 630 HOH A O 1 HETATM 3462 O O . HOH R 7 . ? 11.317 22.503 -2.023 1.00 43.11 ? 631 HOH A O 1 HETATM 3463 O O . HOH R 7 . ? 14.930 14.669 0.074 1.00 60.02 ? 632 HOH A O 1 HETATM 3464 O O . HOH R 7 . ? 29.407 2.938 -2.906 1.00 57.49 ? 633 HOH A O 1 HETATM 3465 O O . HOH R 7 . ? 12.939 17.623 -4.647 1.00 72.27 ? 634 HOH A O 1 HETATM 3466 O O . HOH S 7 . ? 69.005 46.265 -3.505 1.00 73.47 ? 601 HOH B O 1 HETATM 3467 O O . HOH S 7 . ? 30.139 38.859 -13.659 1.00 79.53 ? 602 HOH B O 1 HETATM 3468 O O . HOH S 7 . ? 62.468 28.592 3.689 1.00 73.39 ? 603 HOH B O 1 HETATM 3469 O O . HOH S 7 . ? 62.361 25.756 8.133 1.00 94.42 ? 604 HOH B O 1 HETATM 3470 O O . HOH S 7 . ? 56.910 54.791 -9.489 0.50 58.15 ? 605 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . GLY A 17 ? 0.9826 0.7862 0.5696 0.1410 0.1151 0.1343 237 GLY A N 2 C CA . GLY A 17 ? 0.9506 0.7880 0.5402 0.1314 0.0978 0.1230 237 GLY A CA 3 C C . GLY A 17 ? 0.9081 0.7504 0.5199 0.1099 0.1022 0.1147 237 GLY A C 4 O O . GLY A 17 ? 0.9427 0.7623 0.5644 0.1031 0.1190 0.1184 237 GLY A O 5 N N . PRO A 18 ? 0.8529 0.7242 0.4738 0.0993 0.0879 0.1037 238 PRO A N 6 C CA . PRO A 18 ? 0.8438 0.7191 0.4844 0.0806 0.0913 0.0962 238 PRO A CA 7 C C . PRO A 18 ? 0.8445 0.7026 0.4745 0.0786 0.1033 0.1034 238 PRO A C 8 O O . PRO A 18 ? 0.8919 0.7430 0.4957 0.0902 0.1042 0.1118 238 PRO A O 9 C CB . PRO A 18 ? 0.7495 0.6561 0.3958 0.0730 0.0745 0.0862 238 PRO A CB 10 C CG . PRO A 18 ? 0.7883 0.7085 0.4194 0.0862 0.0628 0.0876 238 PRO A CG 11 C CD . PRO A 18 ? 0.8317 0.7317 0.4475 0.1036 0.0695 0.0977 238 PRO A CD 12 N N . SER A 19 ? 0.8550 0.7068 0.5061 0.0648 0.1125 0.0992 239 SER A N 13 C CA . SER A 19 ? 0.8390 0.6810 0.4870 0.0597 0.1229 0.1028 239 SER A CA 14 C C . SER A 19 ? 0.8488 0.7128 0.5147 0.0449 0.1125 0.0908 239 SER A C 15 O O . SER A 19 ? 0.9199 0.8001 0.6035 0.0380 0.1023 0.0811 239 SER A O 16 C CB . SER A 19 ? 0.8366 0.6538 0.5030 0.0548 0.1436 0.1064 239 SER A CB 17 O OG . SER A 19 ? 0.9200 0.7157 0.5808 0.0656 0.1537 0.1152 239 SER A OG 18 N N . VAL A 20 ? 0.8249 0.6878 0.4855 0.0412 0.1162 0.0919 240 VAL A N 19 C CA . VAL A 20 ? 0.8374 0.7181 0.5117 0.0292 0.1074 0.0824 240 VAL A CA 20 C C . VAL A 20 ? 0.8562 0.7244 0.5439 0.0223 0.1221 0.0829 240 VAL A C 21 O O . VAL A 20 ? 1.0214 0.8710 0.6946 0.0290 0.1367 0.0924 240 VAL A O 22 C CB . VAL A 20 ? 0.8755 0.7680 0.5278 0.0336 0.0966 0.0827 240 VAL A CB 23 C CG1 . VAL A 20 ? 0.8362 0.7422 0.5017 0.0220 0.0901 0.0745 240 VAL A CG1 24 C CG2 . VAL A 20 ? 0.8635 0.7708 0.5063 0.0404 0.0822 0.0812 240 VAL A CG2 25 N N . PHE A 21 ? 0.8022 0.6804 0.5173 0.0101 0.1190 0.0730 241 PHE A N 26 C CA . PHE A 21 ? 0.7727 0.6434 0.5059 0.0031 0.1314 0.0714 241 PHE A CA 27 C C . PHE A 21 ? 0.7609 0.6512 0.5039 -0.0048 0.1180 0.0621 241 PHE A C 28 O O . PHE A 21 ? 0.7843 0.6910 0.5295 -0.0073 0.1023 0.0560 241 PHE A O 29 C CB . PHE A 21 ? 0.7650 0.6262 0.5301 -0.0030 0.1421 0.0669 241 PHE A CB 30 C CG . PHE A 21 ? 0.7949 0.6344 0.5531 0.0045 0.1560 0.0763 241 PHE A CG 31 C CD1 . PHE A 21 ? 0.8381 0.6541 0.5952 0.0074 0.1787 0.0864 241 PHE A CD1 32 C CD2 . PHE A 21 ? 0.8293 0.6704 0.5813 0.0098 0.1478 0.0759 241 PHE A CD2 33 C CE1 . PHE A 21 ? 0.8691 0.6617 0.6172 0.0158 0.1931 0.0973 241 PHE A CE1 34 C CE2 . PHE A 21 ? 0.8739 0.6930 0.6191 0.0182 0.1607 0.0853 241 PHE A CE2 35 C CZ . PHE A 21 ? 0.8926 0.6862 0.6351 0.0214 0.1835 0.0966 241 PHE A CZ 36 N N . LEU A 22 ? 0.7403 0.6282 0.4878 -0.0079 0.1250 0.0618 242 LEU A N 37 C CA . LEU A 22 ? 0.7225 0.6257 0.4722 -0.0126 0.1131 0.0555 242 LEU A CA 38 C C . LEU A 22 ? 0.7608 0.6639 0.5386 -0.0198 0.1205 0.0496 242 LEU A C 39 O O . LEU A 22 ? 0.8373 0.7276 0.6166 -0.0186 0.1372 0.0539 242 LEU A O 40 C CB . LEU A 22 ? 0.6868 0.5881 0.4067 -0.0060 0.1118 0.0608 242 LEU A CB 41 C CG . LEU A 22 ? 0.7402 0.6532 0.4586 -0.0095 0.1013 0.0554 242 LEU A CG 42 C CD1 . LEU A 22 ? 0.6695 0.5994 0.3951 -0.0143 0.0839 0.0497 242 LEU A CD1 43 C CD2 . LEU A 22 ? 0.7431 0.6526 0.4319 -0.0018 0.1005 0.0586 242 LEU A CD2 44 N N . PHE A 23 ? 0.7594 0.6768 0.5597 -0.0264 0.1089 0.0396 243 PHE A N 45 C CA . PHE A 23 ? 0.7321 0.6513 0.5645 -0.0323 0.1150 0.0321 243 PHE A CA 46 C C . PHE A 23 ? 0.6930 0.6224 0.5292 -0.0343 0.1076 0.0278 243 PHE A C 47 O O . PHE A 23 ? 0.7342 0.6735 0.5578 -0.0336 0.0926 0.0268 243 PHE A O 48 C CB . PHE A 23 ? 0.7076 0.6341 0.5673 -0.0367 0.1086 0.0220 243 PHE A CB 49 C CG . PHE A 23 ? 0.7186 0.6330 0.5790 -0.0350 0.1174 0.0251 243 PHE A CG 50 C CD1 . PHE A 23 ? 0.7053 0.6068 0.5906 -0.0382 0.1351 0.0242 243 PHE A CD1 51 C CD2 . PHE A 23 ? 0.7715 0.6867 0.6096 -0.0302 0.1091 0.0289 243 PHE A CD2 52 C CE1 . PHE A 23 ? 0.7011 0.5885 0.5884 -0.0365 0.1444 0.0274 243 PHE A CE1 53 C CE2 . PHE A 23 ? 0.7495 0.6525 0.5891 -0.0277 0.1171 0.0314 243 PHE A CE2 54 C CZ . PHE A 23 ? 0.7162 0.6037 0.5797 -0.0308 0.1352 0.0312 243 PHE A CZ 55 N N . PRO A 24 ? 0.6601 0.5866 0.5160 -0.0366 0.1189 0.0251 244 PRO A N 56 C CA . PRO A 24 ? 0.6430 0.5795 0.5033 -0.0375 0.1101 0.0204 244 PRO A CA 57 C C . PRO A 24 ? 0.6817 0.6339 0.5692 -0.0408 0.0951 0.0091 244 PRO A C 58 O O . PRO A 24 ? 0.6697 0.6254 0.5744 -0.0429 0.0926 0.0033 244 PRO A O 59 C CB . PRO A 24 ? 0.6397 0.5692 0.5169 -0.0383 0.1285 0.0201 244 PRO A CB 60 C CG . PRO A 24 ? 0.5870 0.5114 0.4914 -0.0422 0.1409 0.0177 244 PRO A CG 61 C CD . PRO A 24 ? 0.6155 0.5324 0.4973 -0.0395 0.1385 0.0243 244 PRO A CD 62 N N . PRO A 25 ? 0.6897 0.6504 0.5811 -0.0402 0.0856 0.0054 245 PRO A N 63 C CA . PRO A 25 ? 0.6747 0.6492 0.5888 -0.0405 0.0720 -0.0045 245 PRO A CA 64 C C . PRO A 25 ? 0.6977 0.6771 0.6525 -0.0436 0.0790 -0.0148 245 PRO A C 65 O O . PRO A 25 ? 0.7691 0.7403 0.7351 -0.0459 0.0971 -0.0130 245 PRO A O 66 C CB . PRO A 25 ? 0.6920 0.6679 0.5994 -0.0380 0.0676 -0.0031 245 PRO A CB 67 C CG . PRO A 25 ? 0.7599 0.7229 0.6485 -0.0375 0.0823 0.0047 245 PRO A CG 68 C CD . PRO A 25 ? 0.7601 0.7158 0.6275 -0.0375 0.0861 0.0114 245 PRO A CD 69 N N . LYS A 26 ? 0.7125 0.7055 0.6899 -0.0433 0.0652 -0.0263 246 LYS A N 70 C CA . LYS A 26 ? 0.7459 0.7480 0.7678 -0.0460 0.0683 -0.0394 246 LYS A CA 71 C C . LYS A 26 ? 0.7475 0.7545 0.7844 -0.0443 0.0705 -0.0417 246 LYS A C 72 O O . LYS A 26 ? 0.7608 0.7706 0.7795 -0.0392 0.0586 -0.0385 246 LYS A O 73 C CB . LYS A 26 ? 0.7701 0.7881 0.8078 -0.0434 0.0478 -0.0528 246 LYS A CB 74 C CG . LYS A 26 ? 0.8729 0.8911 0.9319 -0.0477 0.0510 -0.0616 246 LYS A CG 75 C CD . LYS A 26 ? 0.9100 0.9250 0.9372 -0.0449 0.0414 -0.0574 246 LYS A CD 76 C CE . LYS A 26 ? 0.9773 0.9852 1.0210 -0.0499 0.0513 -0.0622 246 LYS A CE 77 N NZ . LYS A 26 ? 1.0222 1.0121 1.0327 -0.0504 0.0645 -0.0458 246 LYS A NZ 78 N N . PRO A 27 ? 0.7747 0.7823 0.8474 -0.0484 0.0866 -0.0474 247 PRO A N 79 C CA . PRO A 27 ? 0.7658 0.7794 0.8600 -0.0467 0.0917 -0.0513 247 PRO A CA 80 C C . PRO A 27 ? 0.7691 0.7994 0.8733 -0.0403 0.0685 -0.0605 247 PRO A C 81 O O . PRO A 27 ? 0.8280 0.8574 0.9228 -0.0357 0.0667 -0.0570 247 PRO A O 82 C CB . PRO A 27 ? 0.7056 0.7233 0.8501 -0.0533 0.1091 -0.0612 247 PRO A CB 83 C CG . PRO A 27 ? 0.6862 0.6899 0.8218 -0.0584 0.1218 -0.0552 247 PRO A CG 84 C CD . PRO A 27 ? 0.7502 0.7498 0.8434 -0.0550 0.1050 -0.0485 247 PRO A CD 85 N N . LYS A 28 ? 0.8136 0.8582 0.9364 -0.0387 0.0510 -0.0727 248 LYS A N 86 C CA . LYS A 28 ? 0.7975 0.8590 0.9305 -0.0300 0.0273 -0.0826 248 LYS A CA 87 C C . LYS A 28 ? 0.7693 0.8232 0.8557 -0.0231 0.0154 -0.0699 248 LYS A C 88 O O . LYS A 28 ? 0.7766 0.8341 0.8618 -0.0160 0.0068 -0.0695 248 LYS A O 89 C CB . LYS A 28 ? 0.9263 1.0031 1.0802 -0.0283 0.0101 -0.0982 248 LYS A CB 90 C CG . LYS A 28 ? 1.0411 1.1358 1.2558 -0.0310 0.0106 -0.1184 248 LYS A CG 91 C CD . LYS A 28 ? 1.1985 1.3036 1.4372 -0.0335 0.0007 -0.1348 248 LYS A CD 92 C CE . LYS A 28 ? 1.3090 1.4273 1.5298 -0.0214 -0.0298 -0.1431 248 LYS A CE 93 N NZ . LYS A 28 ? 1.3196 1.4549 1.5541 -0.0099 -0.0479 -0.1512 248 LYS A NZ 94 N N . ASP A 29 ? 0.7278 0.7704 0.7781 -0.0254 0.0165 -0.0595 249 ASP A N 95 C CA . ASP A 29 ? 0.7387 0.7721 0.7460 -0.0213 0.0096 -0.0462 249 ASP A CA 96 C C . ASP A 29 ? 0.7632 0.7845 0.7561 -0.0222 0.0209 -0.0363 249 ASP A C 97 O O . ASP A 29 ? 0.8380 0.8548 0.8092 -0.0175 0.0131 -0.0294 249 ASP A O 98 C CB . ASP A 29 ? 0.7571 0.7823 0.7347 -0.0246 0.0115 -0.0382 249 ASP A CB 99 C CG . ASP A 29 ? 0.7568 0.7917 0.7421 -0.0231 0.0004 -0.0476 249 ASP A CG 100 O OD1 . ASP A 29 ? 0.7487 0.7974 0.7513 -0.0168 -0.0152 -0.0592 249 ASP A OD1 101 O OD2 . ASP A 29 ? 0.8393 0.8677 0.8119 -0.0273 0.0067 -0.0439 249 ASP A OD2 102 N N . THR A 30 ? 0.7697 0.7845 0.7732 -0.0276 0.0400 -0.0353 250 THR A N 103 C CA . THR A 30 ? 0.7492 0.7524 0.7341 -0.0268 0.0487 -0.0272 250 THR A CA 104 C C . THR A 30 ? 0.7242 0.7343 0.7311 -0.0215 0.0441 -0.0335 250 THR A C 105 O O . THR A 30 ? 0.8429 0.8453 0.8338 -0.0182 0.0431 -0.0285 250 THR A O 106 C CB . THR A 30 ? 0.7239 0.7157 0.7046 -0.0314 0.0711 -0.0227 250 THR A CB 107 O OG1 . THR A 30 ? 0.7867 0.7849 0.8057 -0.0344 0.0828 -0.0311 250 THR A OG1 108 C CG2 . THR A 30 ? 0.7074 0.6901 0.6605 -0.0346 0.0750 -0.0144 250 THR A CG2 109 N N . LEU A 31 ? 0.7049 0.7300 0.7502 -0.0201 0.0400 -0.0457 251 LEU A N 110 C CA . LEU A 31 ? 0.7247 0.7580 0.8001 -0.0154 0.0402 -0.0536 251 LEU A CA 111 C C . LEU A 31 ? 0.7380 0.7808 0.8169 -0.0053 0.0181 -0.0577 251 LEU A C 112 O O . LEU A 31 ? 0.7324 0.7824 0.8358 0.0004 0.0163 -0.0642 251 LEU A O 113 C CB . LEU A 31 ? 0.6887 0.7343 0.8118 -0.0198 0.0515 -0.0660 251 LEU A CB 114 C CG . LEU A 31 ? 0.7043 0.7379 0.8286 -0.0265 0.0793 -0.0608 251 LEU A CG 115 C CD1 . LEU A 31 ? 0.6778 0.7208 0.8485 -0.0328 0.0933 -0.0710 251 LEU A CD1 116 C CD2 . LEU A 31 ? 0.7203 0.7486 0.8420 -0.0220 0.0878 -0.0587 251 LEU A CD2 117 N N . MET A 32 ? 0.8007 0.8429 0.8538 -0.0019 0.0022 -0.0532 252 MET A N 118 C CA . MET A 32 ? 0.7812 0.8338 0.8355 0.0096 -0.0206 -0.0575 252 MET A CA 119 C C . MET A 32 ? 0.7551 0.7946 0.7660 0.0154 -0.0304 -0.0435 252 MET A C 120 O O . MET A 32 ? 0.7883 0.8226 0.7727 0.0122 -0.0316 -0.0368 252 MET A O 121 C CB . MET A 32 ? 0.7671 0.8353 0.8380 0.0100 -0.0316 -0.0693 252 MET A CB 122 C CG . MET A 32 ? 0.8857 0.9709 1.0096 0.0069 -0.0273 -0.0867 252 MET A CG 123 S SD . MET A 32 ? 1.0260 1.1363 1.1789 0.0151 -0.0523 -0.1071 252 MET A SD 124 C CE . MET A 32 ? 0.8996 1.0064 1.0444 0.0047 -0.0468 -0.1090 252 MET A CE 125 N N . ILE A 33 ? 0.7353 0.7693 0.7405 0.0242 -0.0368 -0.0391 253 ILE A N 126 C CA . ILE A 33 ? 0.7486 0.7667 0.7145 0.0277 -0.0413 -0.0241 253 ILE A CA 127 C C . ILE A 33 ? 0.7830 0.8034 0.7243 0.0322 -0.0538 -0.0198 253 ILE A C 128 O O . ILE A 33 ? 0.9298 0.9375 0.8398 0.0299 -0.0512 -0.0073 253 ILE A O 129 C CB . ILE A 33 ? 0.7222 0.7330 0.6874 0.0386 -0.0478 -0.0201 253 ILE A CB 130 C CG1 . ILE A 33 ? 0.7700 0.7993 0.7638 0.0505 -0.0627 -0.0327 253 ILE A CG1 131 C CG2 . ILE A 33 ? 0.7077 0.7077 0.6810 0.0332 -0.0328 -0.0192 253 ILE A CG2 132 C CD1 . ILE A 33 ? 0.9140 0.9370 0.9036 0.0656 -0.0738 -0.0280 253 ILE A CD1 133 N N . SER A 34 ? 0.7666 0.8038 0.7227 0.0391 -0.0673 -0.0312 254 SER A N 134 C CA . SER A 34 ? 0.7360 0.7761 0.6674 0.0446 -0.0789 -0.0288 254 SER A CA 135 C C . SER A 34 ? 0.7154 0.7568 0.6397 0.0337 -0.0712 -0.0299 254 SER A C 136 O O . SER A 34 ? 0.7555 0.8005 0.6611 0.0387 -0.0805 -0.0299 254 SER A O 137 C CB . SER A 34 ? 0.7439 0.8029 0.6945 0.0574 -0.0981 -0.0435 254 SER A CB 138 O OG . SER A 34 ? 0.8632 0.9364 0.8591 0.0509 -0.0935 -0.0596 254 SER A OG 139 N N . ARG A 35 ? 0.6819 0.7199 0.6188 0.0204 -0.0547 -0.0309 255 ARG A N 140 C CA . ARG A 35 ? 0.6391 0.6772 0.5686 0.0118 -0.0480 -0.0314 255 ARG A CA 141 C C . ARG A 35 ? 0.6267 0.6497 0.5299 0.0030 -0.0342 -0.0176 255 ARG A C 142 O O . ARG A 35 ? 0.6404 0.6522 0.5302 0.0024 -0.0295 -0.0078 255 ARG A O 143 C CB . ARG A 35 ? 0.7201 0.7694 0.6862 0.0057 -0.0431 -0.0463 255 ARG A CB 144 C CG . ARG A 35 ? 0.8012 0.8662 0.8032 0.0128 -0.0541 -0.0612 255 ARG A CG 145 C CD . ARG A 35 ? 0.7914 0.8730 0.8211 0.0135 -0.0633 -0.0791 255 ARG A CD 146 N NE . ARG A 35 ? 0.8833 0.9609 0.9183 0.0022 -0.0503 -0.0808 255 ARG A NE 147 C CZ . ARG A 35 ? 0.9707 1.0601 1.0376 -0.0008 -0.0532 -0.0975 255 ARG A CZ 148 N NH1 . ARG A 35 ? 0.8821 0.9910 0.9809 0.0067 -0.0702 -0.1161 255 ARG A NH1 149 N NH2 . ARG A 35 ? 0.8787 0.9603 0.9468 -0.0107 -0.0395 -0.0964 255 ARG A NH2 150 N N . THR A 36 ? 0.6093 0.6324 0.5050 -0.0029 -0.0292 -0.0175 256 THR A N 151 C CA . THR A 36 ? 0.6224 0.6349 0.4905 -0.0080 -0.0215 -0.0055 256 THR A CA 152 C C . THR A 36 ? 0.6434 0.6525 0.5198 -0.0170 -0.0071 -0.0069 256 THR A C 153 O O . THR A 36 ? 0.6445 0.6575 0.5249 -0.0191 -0.0060 -0.0116 256 THR A O 154 C CB . THR A 36 ? 0.6086 0.6240 0.4533 -0.0032 -0.0303 -0.0020 256 THR A CB 155 O OG1 . THR A 36 ? 0.7661 0.7794 0.5973 0.0056 -0.0397 0.0037 256 THR A OG1 156 C CG2 . THR A 36 ? 0.6207 0.6281 0.4415 -0.0089 -0.0220 0.0091 256 THR A CG2 157 N N . PRO A 37 ? 0.6300 0.6304 0.5069 -0.0212 0.0042 -0.0027 257 PRO A N 158 C CA . PRO A 37 ? 0.6163 0.6122 0.4982 -0.0272 0.0182 -0.0032 257 PRO A CA 159 C C . PRO A 37 ? 0.6384 0.6277 0.4930 -0.0297 0.0215 0.0057 257 PRO A C 160 O O . PRO A 37 ? 0.6369 0.6215 0.4729 -0.0294 0.0190 0.0128 257 PRO A O 161 C CB . PRO A 37 ? 0.6236 0.6135 0.5142 -0.0282 0.0281 -0.0031 257 PRO A CB 162 C CG . PRO A 37 ? 0.6342 0.6214 0.5136 -0.0244 0.0196 0.0011 257 PRO A CG 163 C CD . PRO A 37 ? 0.6305 0.6258 0.5095 -0.0190 0.0046 -0.0004 257 PRO A CD 164 N N . GLU A 38 ? 0.6502 0.6390 0.5050 -0.0321 0.0272 0.0048 258 GLU A N 165 C CA . GLU A 38 ? 0.6676 0.6522 0.4993 -0.0333 0.0298 0.0121 258 GLU A CA 166 C C . GLU A 38 ? 0.7087 0.6851 0.5389 -0.0352 0.0434 0.0142 258 GLU A C 167 O O . GLU A 38 ? 0.7272 0.7025 0.5770 -0.0365 0.0504 0.0092 258 GLU A O 168 C CB . GLU A 38 ? 0.7793 0.7711 0.6075 -0.0315 0.0214 0.0099 258 GLU A CB 169 C CG . GLU A 38 ? 0.9390 0.9367 0.7581 -0.0276 0.0090 0.0113 258 GLU A CG 170 C CD . GLU A 38 ? 0.9500 0.9561 0.7702 -0.0236 0.0002 0.0053 258 GLU A CD 171 O OE1 . GLU A 38 ? 0.9687 0.9773 0.8073 -0.0245 0.0020 -0.0038 258 GLU A OE1 172 O OE2 . GLU A 38 ? 1.0056 1.0147 0.8086 -0.0194 -0.0073 0.0096 258 GLU A OE2 173 N N . VAL A 39 ? 0.6878 0.6580 0.4960 -0.0348 0.0475 0.0214 259 VAL A N 174 C CA . VAL A 39 ? 0.7165 0.6785 0.5178 -0.0339 0.0586 0.0249 259 VAL A CA 175 C C . VAL A 39 ? 0.6940 0.6603 0.4859 -0.0327 0.0528 0.0266 259 VAL A C 176 O O . VAL A 39 ? 0.7576 0.7317 0.5407 -0.0327 0.0424 0.0275 259 VAL A O 177 C CB . VAL A 39 ? 0.7327 0.6859 0.5141 -0.0314 0.0659 0.0305 259 VAL A CB 178 C CG1 . VAL A 39 ? 0.7415 0.6905 0.5329 -0.0319 0.0729 0.0278 259 VAL A CG1 179 C CG2 . VAL A 39 ? 0.7656 0.7237 0.5291 -0.0310 0.0556 0.0327 259 VAL A CG2 180 N N . THR A 40 ? 0.6523 0.6124 0.4465 -0.0315 0.0607 0.0273 260 THR A N 181 C CA . THR A 40 ? 0.6804 0.6444 0.4702 -0.0299 0.0560 0.0270 260 THR A CA 182 C C . THR A 40 ? 0.7049 0.6588 0.4792 -0.0256 0.0647 0.0341 260 THR A C 183 O O . THR A 40 ? 0.6894 0.6309 0.4676 -0.0245 0.0776 0.0367 260 THR A O 184 C CB . THR A 40 ? 0.6573 0.6223 0.4708 -0.0316 0.0566 0.0185 260 THR A CB 185 O OG1 . THR A 40 ? 0.7231 0.6981 0.5504 -0.0334 0.0471 0.0111 260 THR A OG1 186 C CG2 . THR A 40 ? 0.6315 0.5996 0.4411 -0.0294 0.0522 0.0166 260 THR A CG2 187 N N . CYS A 41 ? 0.7223 0.6817 0.4801 -0.0225 0.0583 0.0375 261 CYS A N 188 C CA . CYS A 41 ? 0.7453 0.6970 0.4871 -0.0163 0.0638 0.0438 261 CYS A CA 189 C C . CYS A 41 ? 0.6687 0.6217 0.4147 -0.0141 0.0626 0.0422 261 CYS A C 190 O O . CYS A 41 ? 0.6746 0.6396 0.4187 -0.0143 0.0535 0.0399 261 CYS A O 191 C CB . CYS A 41 ? 0.7426 0.7016 0.4653 -0.0136 0.0563 0.0469 261 CYS A CB 192 S SG . CYS A 41 ? 0.7393 0.6892 0.4385 -0.0028 0.0614 0.0543 261 CYS A SG 193 N N . VAL A 42 ? 0.6661 0.6057 0.4187 -0.0119 0.0733 0.0435 262 VAL A N 194 C CA . VAL A 42 ? 0.6558 0.5933 0.4134 -0.0090 0.0736 0.0413 262 VAL A CA 195 C C . VAL A 42 ? 0.7268 0.6533 0.4672 0.0003 0.0798 0.0501 262 VAL A C 196 O O . VAL A 42 ? 0.7952 0.7045 0.5290 0.0042 0.0923 0.0575 262 VAL A O 197 C CB . VAL A 42 ? 0.6274 0.5551 0.4104 -0.0132 0.0820 0.0350 262 VAL A CB 198 C CG1 . VAL A 42 ? 0.6294 0.5544 0.4199 -0.0105 0.0816 0.0303 262 VAL A CG1 199 C CG2 . VAL A 42 ? 0.6050 0.5428 0.4071 -0.0206 0.0761 0.0256 262 VAL A CG2 200 N N . VAL A 43 ? 0.6922 0.6279 0.4254 0.0049 0.0720 0.0495 263 VAL A N 201 C CA . VAL A 43 ? 0.7231 0.6512 0.4419 0.0152 0.0752 0.0564 263 VAL A CA 202 C C . VAL A 43 ? 0.7981 0.7198 0.5292 0.0174 0.0785 0.0524 263 VAL A C 203 O O . VAL A 43 ? 0.7799 0.7138 0.5228 0.0133 0.0712 0.0431 263 VAL A O 204 C CB . VAL A 43 ? 0.7118 0.6581 0.4176 0.0193 0.0631 0.0567 263 VAL A CB 205 C CG1 . VAL A 43 ? 0.7120 0.6518 0.4018 0.0321 0.0647 0.0638 263 VAL A CG1 206 C CG2 . VAL A 43 ? 0.7137 0.6695 0.4124 0.0153 0.0572 0.0570 263 VAL A CG2 207 N N . VAL A 44 ? 0.8087 0.7105 0.5351 0.0251 0.0895 0.0595 264 VAL A N 208 C CA . VAL A 44 ? 0.7887 0.6803 0.5283 0.0275 0.0945 0.0558 264 VAL A CA 209 C C . VAL A 44 ? 0.8949 0.7744 0.6174 0.0416 0.0986 0.0656 264 VAL A C 210 O O . VAL A 44 ? 0.9941 0.8691 0.6935 0.0503 0.0999 0.0764 264 VAL A O 211 C CB . VAL A 44 ? 0.8096 0.6810 0.5697 0.0214 0.1090 0.0544 264 VAL A CB 212 C CG1 . VAL A 44 ? 0.8047 0.6874 0.5841 0.0091 0.1049 0.0442 264 VAL A CG1 213 C CG2 . VAL A 44 ? 0.8485 0.6986 0.5938 0.0271 0.1239 0.0689 264 VAL A CG2 214 N N . ASP A 45 ? 0.8392 0.7113 0.5719 0.0455 0.1012 0.0618 265 ASP A N 215 C CA . ASP A 45 ? 0.8740 0.7341 0.5917 0.0605 0.1046 0.0710 265 ASP A CA 216 C C . ASP A 45 ? 0.8468 0.7307 0.5482 0.0681 0.0899 0.0714 265 ASP A C 217 O O . ASP A 45 ? 0.8586 0.7394 0.5403 0.0814 0.0886 0.0808 265 ASP A O 218 C CB . ASP A 45 ? 0.8887 0.7223 0.5906 0.0685 0.1191 0.0862 265 ASP A CB 219 C CG . ASP A 45 ? 0.9815 0.7880 0.7037 0.0624 0.1376 0.0870 265 ASP A CG 220 O OD1 . ASP A 45 ? 0.9795 0.7854 0.7276 0.0556 0.1379 0.0753 265 ASP A OD1 221 O OD2 . ASP A 45 ? 1.0571 0.8426 0.7705 0.0645 0.1527 0.0988 265 ASP A OD2 222 N N . VAL A 46 ? 0.7866 0.6950 0.4975 0.0598 0.0788 0.0608 266 VAL A N 223 C CA . VAL A 46 ? 0.7617 0.6943 0.4648 0.0646 0.0666 0.0594 266 VAL A CA 224 C C . VAL A 46 ? 0.7593 0.6948 0.4686 0.0728 0.0655 0.0551 266 VAL A C 225 O O . VAL A 46 ? 0.8192 0.7522 0.5426 0.0682 0.0679 0.0465 266 VAL A O 226 C CB . VAL A 46 ? 0.6956 0.6502 0.4052 0.0526 0.0583 0.0520 266 VAL A CB 227 C CG1 . VAL A 46 ? 0.7232 0.7023 0.4295 0.0566 0.0483 0.0504 266 VAL A CG1 228 C CG2 . VAL A 46 ? 0.6670 0.6184 0.3701 0.0461 0.0591 0.0563 266 VAL A CG2 229 N N . SER A 47 ? 0.7558 0.6959 0.4547 0.0860 0.0617 0.0602 267 SER A N 230 C CA . SER A 47 ? 0.7565 0.6971 0.4615 0.0957 0.0619 0.0568 267 SER A CA 231 C C . SER A 47 ? 0.7719 0.7422 0.4870 0.0927 0.0534 0.0465 267 SER A C 232 O O . SER A 47 ? 0.7508 0.7429 0.4667 0.0842 0.0465 0.0440 267 SER A O 233 C CB . SER A 47 ? 0.7843 0.7198 0.4740 0.1134 0.0601 0.0666 267 SER A CB 234 O OG . SER A 47 ? 0.8015 0.7659 0.4874 0.1154 0.0475 0.0649 267 SER A OG 235 N N . HIS A 48 ? 0.7711 0.7411 0.4939 0.1004 0.0551 0.0413 268 HIS A N 236 C CA . HIS A 48 ? 0.7579 0.7538 0.4891 0.1011 0.0501 0.0326 268 HIS A CA 237 C C . HIS A 48 ? 0.7934 0.8111 0.5219 0.1089 0.0424 0.0364 268 HIS A C 238 O O . HIS A 48 ? 0.7771 0.8209 0.5126 0.1041 0.0378 0.0318 268 HIS A O 239 C CB . HIS A 48 ? 0.7896 0.7765 0.5278 0.1109 0.0546 0.0270 268 HIS A CB 240 C CG . HIS A 48 ? 0.7928 0.7590 0.5385 0.1048 0.0614 0.0196 268 HIS A CG 241 N ND1 . HIS A 48 ? 0.8120 0.7869 0.5629 0.0931 0.0598 0.0092 268 HIS A ND1 242 C CD2 . HIS A 48 ? 0.7865 0.7243 0.5371 0.1096 0.0694 0.0197 268 HIS A CD2 243 C CE1 . HIS A 48 ? 0.8309 0.7853 0.5909 0.0906 0.0649 0.0017 268 HIS A CE1 244 N NE2 . HIS A 48 ? 0.8388 0.7701 0.6005 0.0995 0.0717 0.0078 268 HIS A NE2 245 N N . GLU A 49 ? 0.8409 0.8478 0.5597 0.1218 0.0411 0.0449 269 GLU A N 246 C CA . GLU A 49 ? 0.8524 0.8825 0.5713 0.1309 0.0315 0.0459 269 GLU A CA 247 C C . GLU A 49 ? 0.8397 0.8857 0.5560 0.1207 0.0244 0.0465 269 GLU A C 248 O O . GLU A 49 ? 0.8521 0.9257 0.5786 0.1207 0.0167 0.0420 269 GLU A O 249 C CB . GLU A 49 ? 0.9107 0.9263 0.6182 0.1511 0.0302 0.0539 269 GLU A CB 250 C CG . GLU A 49 ? 0.9634 0.9655 0.6772 0.1622 0.0368 0.0522 269 GLU A CG 251 C CD . GLU A 49 ? 1.0948 1.0592 0.8047 0.1592 0.0499 0.0558 269 GLU A CD 252 O OE1 . GLU A 49 ? 0.9063 0.8570 0.6128 0.1456 0.0552 0.0576 269 GLU A OE1 253 O OE2 . GLU A 49 ? 1.2144 1.1629 0.9281 0.1708 0.0555 0.0557 269 GLU A OE2 254 N N . ASP A 50 ? 0.8636 0.8933 0.5697 0.1114 0.0276 0.0508 270 ASP A N 255 C CA . ASP A 50 ? 0.8806 0.9226 0.5830 0.1031 0.0208 0.0511 270 ASP A CA 256 C C . ASP A 50 ? 0.9012 0.9375 0.6064 0.0858 0.0258 0.0493 270 ASP A C 257 O O . ASP A 50 ? 0.9348 0.9553 0.6301 0.0813 0.0286 0.0537 270 ASP A O 258 C CB . ASP A 50 ? 0.8914 0.9203 0.5735 0.1136 0.0175 0.0591 270 ASP A CB 259 C CG . ASP A 50 ? 0.9442 0.9795 0.6204 0.1337 0.0099 0.0612 270 ASP A CG 260 O OD1 . ASP A 50 ? 0.9452 1.0093 0.6362 0.1360 0.0005 0.0538 270 ASP A OD1 261 O OD2 . ASP A 50 ? 1.0067 1.0181 0.6640 0.1479 0.0139 0.0704 270 ASP A OD2 262 N N . PRO A 51 ? 0.9034 0.9530 0.6217 0.0772 0.0271 0.0426 271 PRO A N 263 C CA . PRO A 51 ? 0.8108 0.8510 0.5306 0.0647 0.0320 0.0405 271 PRO A CA 264 C C . PRO A 51 ? 0.7725 0.8222 0.4925 0.0532 0.0284 0.0407 271 PRO A C 265 O O . PRO A 51 ? 0.7921 0.8331 0.5117 0.0441 0.0311 0.0400 271 PRO A O 266 C CB . PRO A 51 ? 0.8225 0.8737 0.5520 0.0634 0.0342 0.0332 271 PRO A CB 267 C CG . PRO A 51 ? 0.8036 0.8772 0.5403 0.0707 0.0305 0.0318 271 PRO A CG 268 C CD . PRO A 51 ? 0.8569 0.9303 0.5884 0.0801 0.0248 0.0369 271 PRO A CD 269 N N . GLU A 52 ? 0.6999 0.7674 0.4226 0.0537 0.0218 0.0407 272 GLU A N 270 C CA . GLU A 52 ? 0.7016 0.7778 0.4278 0.0420 0.0193 0.0398 272 GLU A CA 271 C C . GLU A 52 ? 0.7537 0.8160 0.4686 0.0401 0.0177 0.0435 272 GLU A C 272 O O . GLU A 52 ? 0.9006 0.9596 0.6058 0.0491 0.0136 0.0460 272 GLU A O 273 C CB . GLU A 52 ? 0.7731 0.8751 0.5124 0.0423 0.0139 0.0364 272 GLU A CB 274 C CG . GLU A 52 ? 0.9438 1.0574 0.6918 0.0304 0.0118 0.0349 272 GLU A CG 275 C CD . GLU A 52 ? 1.0226 1.1624 0.7903 0.0294 0.0106 0.0306 272 GLU A CD 276 O OE1 . GLU A 52 ? 1.1581 1.3116 0.9356 0.0299 0.0032 0.0270 272 GLU A OE1 277 O OE2 . GLU A 52 ? 1.1402 1.2873 0.9144 0.0287 0.0172 0.0300 272 GLU A OE2 278 N N . VAL A 53 ? 0.6844 0.7386 0.3991 0.0298 0.0207 0.0438 273 VAL A N 279 C CA . VAL A 53 ? 0.6890 0.7308 0.3949 0.0268 0.0208 0.0464 273 VAL A CA 280 C C . VAL A 53 ? 0.7124 0.7657 0.4240 0.0173 0.0161 0.0441 273 VAL A C 281 O O . VAL A 53 ? 0.7241 0.7874 0.4455 0.0102 0.0164 0.0421 273 VAL A O 282 C CB . VAL A 53 ? 0.6979 0.7211 0.4027 0.0225 0.0282 0.0476 273 VAL A CB 283 C CG1 . VAL A 53 ? 0.7451 0.7553 0.4416 0.0204 0.0303 0.0507 273 VAL A CG1 284 C CG2 . VAL A 53 ? 0.6971 0.7068 0.4000 0.0310 0.0341 0.0492 273 VAL A CG2 285 N N . LYS A 54 ? 0.8029 0.8541 0.5076 0.0180 0.0121 0.0440 274 LYS A N 286 C CA . LYS A 54 ? 0.7744 0.8353 0.4873 0.0087 0.0080 0.0406 274 LYS A CA 287 C C . LYS A 54 ? 0.8076 0.8523 0.5098 0.0068 0.0099 0.0421 274 LYS A C 288 O O . LYS A 54 ? 0.8532 0.8865 0.5398 0.0159 0.0109 0.0445 274 LYS A O 289 C CB . LYS A 54 ? 0.9026 0.9811 0.6213 0.0123 -0.0010 0.0355 274 LYS A CB 290 C CG . LYS A 54 ? 1.0158 1.0996 0.7412 0.0043 -0.0062 0.0304 274 LYS A CG 291 C CD . LYS A 54 ? 1.0297 1.1336 0.7663 0.0073 -0.0166 0.0221 274 LYS A CD 292 C CE . LYS A 54 ? 1.1182 1.2276 0.8683 -0.0035 -0.0203 0.0156 274 LYS A CE 293 N NZ . LYS A 54 ? 1.4258 1.5444 1.1736 0.0040 -0.0328 0.0059 274 LYS A NZ 294 N N . PHE A 55 ? 0.6885 0.7313 0.3977 -0.0035 0.0115 0.0413 275 PHE A N 295 C CA . PHE A 55 ? 0.6421 0.6705 0.3444 -0.0060 0.0143 0.0420 275 PHE A CA 296 C C . PHE A 55 ? 0.6436 0.6781 0.3500 -0.0111 0.0086 0.0375 275 PHE A C 297 O O . PHE A 55 ? 0.6057 0.6535 0.3254 -0.0166 0.0051 0.0350 275 PHE A O 298 C CB . PHE A 55 ? 0.6110 0.6318 0.3197 -0.0124 0.0195 0.0436 275 PHE A CB 299 C CG . PHE A 55 ? 0.6294 0.6428 0.3379 -0.0088 0.0251 0.0456 275 PHE A CG 300 C CD1 . PHE A 55 ? 0.6712 0.6686 0.3754 -0.0061 0.0322 0.0475 275 PHE A CD1 301 C CD2 . PHE A 55 ? 0.6104 0.6323 0.3247 -0.0083 0.0245 0.0448 275 PHE A CD2 302 C CE1 . PHE A 55 ? 0.6728 0.6624 0.3817 -0.0040 0.0379 0.0478 275 PHE A CE1 303 C CE2 . PHE A 55 ? 0.5892 0.6039 0.3051 -0.0052 0.0288 0.0443 275 PHE A CE2 304 C CZ . PHE A 55 ? 0.6448 0.6431 0.3598 -0.0036 0.0353 0.0454 275 PHE A CZ 305 N N . ASN A 56 ? 0.6733 0.6986 0.3684 -0.0081 0.0081 0.0358 276 ASN A N 306 C CA . ASN A 56 ? 0.6226 0.6492 0.3226 -0.0141 0.0041 0.0304 276 ASN A CA 307 C C . ASN A 56 ? 0.6447 0.6547 0.3369 -0.0146 0.0107 0.0322 276 ASN A C 308 O O . ASN A 56 ? 0.6575 0.6566 0.3366 -0.0077 0.0168 0.0361 276 ASN A O 309 C CB . ASN A 56 ? 0.6232 0.6571 0.3167 -0.0082 -0.0045 0.0234 276 ASN A CB 310 C CG . ASN A 56 ? 0.6257 0.6789 0.3319 -0.0079 -0.0119 0.0194 276 ASN A CG 311 O OD1 . ASN A 56 ? 0.6699 0.7276 0.3702 0.0006 -0.0128 0.0219 276 ASN A OD1 312 N ND2 . ASN A 56 ? 0.5818 0.6466 0.3071 -0.0165 -0.0171 0.0124 276 ASN A ND2 313 N N . TRP A 57 ? 0.6541 0.6617 0.3559 -0.0225 0.0106 0.0299 277 TRP A N 314 C CA . TRP A 57 ? 0.6598 0.6540 0.3596 -0.0237 0.0171 0.0311 277 TRP A CA 315 C C . TRP A 57 ? 0.7023 0.6925 0.3996 -0.0248 0.0143 0.0246 277 TRP A C 316 O O . TRP A 57 ? 0.6935 0.6911 0.4012 -0.0303 0.0076 0.0194 277 TRP A O 317 C CB . TRP A 57 ? 0.6062 0.6003 0.3207 -0.0309 0.0191 0.0342 277 TRP A CB 318 C CG . TRP A 57 ? 0.6270 0.6196 0.3429 -0.0290 0.0236 0.0383 277 TRP A CG 319 C CD1 . TRP A 57 ? 0.6249 0.6259 0.3451 -0.0295 0.0219 0.0404 277 TRP A CD1 320 C CD2 . TRP A 57 ? 0.6383 0.6205 0.3542 -0.0265 0.0313 0.0397 277 TRP A CD2 321 N NE1 . TRP A 57 ? 0.6245 0.6207 0.3465 -0.0273 0.0264 0.0418 277 TRP A NE1 322 C CE2 . TRP A 57 ? 0.6371 0.6219 0.3583 -0.0260 0.0324 0.0414 277 TRP A CE2 323 C CE3 . TRP A 57 ? 0.6677 0.6388 0.3811 -0.0248 0.0383 0.0391 277 TRP A CE3 324 C CZ2 . TRP A 57 ? 0.6400 0.6170 0.3675 -0.0248 0.0394 0.0414 277 TRP A CZ2 325 C CZ3 . TRP A 57 ? 0.6201 0.5838 0.3399 -0.0236 0.0469 0.0405 277 TRP A CZ3 326 C CH2 . TRP A 57 ? 0.6280 0.5946 0.3563 -0.0242 0.0469 0.0411 277 TRP A CH2 327 N N . TYR A 58 ? 0.7004 0.6786 0.3861 -0.0200 0.0205 0.0242 278 TYR A N 328 C CA . TYR A 58 ? 0.7051 0.6791 0.3866 -0.0198 0.0178 0.0164 278 TYR A CA 329 C C . TYR A 58 ? 0.7037 0.6656 0.3875 -0.0207 0.0267 0.0175 278 TYR A C 330 O O . TYR A 58 ? 0.7392 0.6946 0.4203 -0.0178 0.0360 0.0230 278 TYR A O 331 C CB . TYR A 58 ? 0.6923 0.6664 0.3515 -0.0094 0.0138 0.0110 278 TYR A CB 332 C CG . TYR A 58 ? 0.6876 0.6760 0.3455 -0.0063 0.0034 0.0083 278 TYR A CG 333 C CD1 . TYR A 58 ? 0.6779 0.6683 0.3282 -0.0002 0.0058 0.0159 278 TYR A CD1 334 C CD2 . TYR A 58 ? 0.6589 0.6591 0.3261 -0.0092 -0.0086 -0.0027 278 TYR A CD2 335 C CE1 . TYR A 58 ? 0.6741 0.6788 0.3256 0.0035 -0.0037 0.0132 278 TYR A CE1 336 C CE2 . TYR A 58 ? 0.6439 0.6597 0.3148 -0.0064 -0.0180 -0.0062 278 TYR A CE2 337 C CZ . TYR A 58 ? 0.6919 0.7102 0.3543 0.0004 -0.0155 0.0022 278 TYR A CZ 338 O OH . TYR A 58 ? 0.8156 0.8504 0.4833 0.0043 -0.0246 -0.0011 278 TYR A OH 339 N N . VAL A 59 ? 0.7128 0.6720 0.4047 -0.0249 0.0241 0.0115 279 VAL A N 340 C CA . VAL A 59 ? 0.6848 0.6334 0.3789 -0.0243 0.0316 0.0101 279 VAL A CA 341 C C . VAL A 59 ? 0.7011 0.6440 0.3805 -0.0188 0.0307 0.0008 279 VAL A C 342 O O . VAL A 59 ? 0.6671 0.6125 0.3518 -0.0222 0.0219 -0.0078 279 VAL A O 343 C CB . VAL A 59 ? 0.6568 0.6056 0.3722 -0.0323 0.0289 0.0105 279 VAL A CB 344 C CG1 . VAL A 59 ? 0.6337 0.5737 0.3561 -0.0311 0.0365 0.0099 279 VAL A CG1 345 C CG2 . VAL A 59 ? 0.7128 0.6689 0.4378 -0.0361 0.0274 0.0182 279 VAL A CG2 346 N N . ASP A 60 ? 0.7145 0.6492 0.3752 -0.0100 0.0405 0.0022 280 ASP A N 347 C CA . ASP A 60 ? 0.7405 0.6691 0.3795 -0.0014 0.0406 -0.0066 280 ASP A CA 348 C C . ASP A 60 ? 0.7420 0.6803 0.3741 -0.0001 0.0251 -0.0155 280 ASP A C 349 O O . ASP A 60 ? 0.7250 0.6637 0.3598 -0.0014 0.0171 -0.0280 280 ASP A O 350 C CB . ASP A 60 ? 0.7377 0.6593 0.3877 -0.0044 0.0435 -0.0135 280 ASP A CB 351 C CG . ASP A 60 ? 0.7870 0.6999 0.4410 -0.0023 0.0598 -0.0076 280 ASP A CG 352 O OD1 . ASP A 60 ? 0.7781 0.6891 0.4268 0.0009 0.0702 0.0018 280 ASP A OD1 353 O OD2 . ASP A 60 ? 0.7618 0.6696 0.4261 -0.0036 0.0628 -0.0133 280 ASP A OD2 354 N N . GLY A 61 ? 0.6999 0.6471 0.3294 0.0010 0.0205 -0.0100 281 GLY A N 355 C CA . GLY A 61 ? 0.6985 0.6576 0.3221 0.0042 0.0064 -0.0177 281 GLY A CA 356 C C . GLY A 61 ? 0.7361 0.7084 0.3879 -0.0075 -0.0044 -0.0225 281 GLY A C 357 O O . GLY A 61 ? 0.7235 0.7089 0.3764 -0.0057 -0.0153 -0.0281 281 GLY A O 358 N N . VAL A 62 ? 0.7089 0.6779 0.3840 -0.0189 -0.0012 -0.0203 282 VAL A N 359 C CA . VAL A 62 ? 0.7210 0.6996 0.4216 -0.0297 -0.0088 -0.0241 282 VAL A CA 360 C C . VAL A 62 ? 0.7312 0.7166 0.4418 -0.0342 -0.0055 -0.0118 282 VAL A C 361 O O . VAL A 62 ? 0.7078 0.6861 0.4179 -0.0347 0.0031 -0.0020 282 VAL A O 362 C CB . VAL A 62 ? 0.7537 0.7220 0.4711 -0.0377 -0.0060 -0.0267 282 VAL A CB 363 C CG1 . VAL A 62 ? 0.6378 0.6110 0.3820 -0.0494 -0.0083 -0.0247 282 VAL A CG1 364 C CG2 . VAL A 62 ? 0.7185 0.6803 0.4276 -0.0333 -0.0098 -0.0412 282 VAL A CG2 365 N N . GLU A 63 ? 0.7016 0.7014 0.4225 -0.0369 -0.0122 -0.0135 283 GLU A N 366 C CA . GLU A 63 ? 0.6863 0.6926 0.4144 -0.0399 -0.0084 -0.0027 283 GLU A CA 367 C C . GLU A 63 ? 0.6975 0.6989 0.4422 -0.0491 -0.0028 0.0046 283 GLU A C 368 O O . GLU A 63 ? 0.7061 0.7046 0.4659 -0.0564 -0.0038 0.0009 283 GLU A O 369 C CB . GLU A 63 ? 0.6669 0.6905 0.4034 -0.0399 -0.0156 -0.0063 283 GLU A CB 370 C CG . GLU A 63 ? 0.6910 0.7203 0.4221 -0.0359 -0.0122 0.0031 283 GLU A CG 371 C CD . GLU A 63 ? 0.7292 0.7774 0.4746 -0.0372 -0.0182 -0.0005 283 GLU A CD 372 O OE1 . GLU A 63 ? 0.8343 0.8914 0.5892 -0.0383 -0.0268 -0.0119 283 GLU A OE1 373 O OE2 . GLU A 63 ? 0.7615 0.8164 0.5103 -0.0368 -0.0148 0.0066 283 GLU A OE2 374 N N . VAL A 64 ? 0.7035 0.7021 0.4443 -0.0479 0.0032 0.0145 284 VAL A N 375 C CA . VAL A 64 ? 0.6882 0.6834 0.4408 -0.0540 0.0071 0.0218 284 VAL A CA 376 C C . VAL A 64 ? 0.6849 0.6902 0.4408 -0.0550 0.0084 0.0284 284 VAL A C 377 O O . VAL A 64 ? 0.7141 0.7253 0.4616 -0.0498 0.0081 0.0293 284 VAL A O 378 C CB . VAL A 64 ? 0.6330 0.6167 0.3820 -0.0518 0.0118 0.0260 284 VAL A CB 379 C CG1 . VAL A 64 ? 0.5740 0.5475 0.3222 -0.0512 0.0120 0.0196 284 VAL A CG1 380 C CG2 . VAL A 64 ? 0.6283 0.6130 0.3677 -0.0461 0.0150 0.0295 284 VAL A CG2 381 N N . HIS A 65 ? 0.7091 0.7146 0.4758 -0.0607 0.0108 0.0335 285 HIS A N 382 C CA . HIS A 65 ? 0.6732 0.6898 0.4430 -0.0615 0.0130 0.0388 285 HIS A CA 383 C C . HIS A 65 ? 0.6555 0.6681 0.4198 -0.0596 0.0172 0.0478 285 HIS A C 384 O O . HIS A 65 ? 0.6603 0.6784 0.4282 -0.0615 0.0209 0.0530 285 HIS A O 385 C CB . HIS A 65 ? 0.6178 0.6418 0.4050 -0.0688 0.0139 0.0371 285 HIS A CB 386 C CG . HIS A 65 ? 0.7078 0.7406 0.5024 -0.0695 0.0072 0.0257 285 HIS A CG 387 N ND1 . HIS A 65 ? 0.7031 0.7502 0.4949 -0.0645 0.0028 0.0216 285 HIS A ND1 388 C CD2 . HIS A 65 ? 0.6991 0.7289 0.5032 -0.0734 0.0029 0.0163 285 HIS A CD2 389 C CE1 . HIS A 65 ? 0.7491 0.8025 0.5471 -0.0643 -0.0049 0.0102 285 HIS A CE1 390 N NE2 . HIS A 65 ? 0.7489 0.7922 0.5547 -0.0701 -0.0051 0.0060 285 HIS A NE2 391 N N . ASN A 66 ? 0.6509 0.6549 0.4072 -0.0553 0.0168 0.0488 286 ASN A N 392 C CA . ASN A 66 ? 0.6259 0.6272 0.3771 -0.0521 0.0181 0.0550 286 ASN A CA 393 C C . ASN A 66 ? 0.6656 0.6662 0.4110 -0.0463 0.0164 0.0524 286 ASN A C 394 O O . ASN A 66 ? 0.7560 0.7509 0.5013 -0.0435 0.0149 0.0530 286 ASN A O 395 C CB . ASN A 66 ? 0.6106 0.6005 0.3644 -0.0531 0.0186 0.0589 286 ASN A CB 396 C CG . ASN A 66 ? 0.6603 0.6411 0.4174 -0.0526 0.0165 0.0534 286 ASN A CG 397 O OD1 . ASN A 66 ? 0.6970 0.6791 0.4530 -0.0516 0.0158 0.0468 286 ASN A OD1 398 N ND2 . ASN A 66 ? 0.6021 0.5727 0.3626 -0.0525 0.0167 0.0565 286 ASN A ND2 399 N N . ALA A 67 ? 0.6897 0.6953 0.4325 -0.0443 0.0166 0.0489 287 ALA A N 400 C CA . ALA A 67 ? 0.7064 0.7122 0.4465 -0.0396 0.0167 0.0470 287 ALA A CA 401 C C . ALA A 67 ? 0.7686 0.7823 0.5048 -0.0374 0.0164 0.0496 287 ALA A C 402 O O . ALA A 67 ? 0.8494 0.8693 0.5847 -0.0393 0.0179 0.0530 287 ALA A O 403 C CB . ALA A 67 ? 0.7533 0.7589 0.4906 -0.0374 0.0188 0.0440 287 ALA A CB 404 N N . LYS A 68 ? 0.8164 0.8299 0.5516 -0.0332 0.0148 0.0469 288 LYS A N 405 C CA . LYS A 68 ? 0.7656 0.7856 0.4947 -0.0292 0.0140 0.0471 288 LYS A CA 406 C C . LYS A 68 ? 0.7701 0.7925 0.5006 -0.0267 0.0155 0.0425 288 LYS A C 407 O O . LYS A 68 ? 0.7397 0.7571 0.4761 -0.0254 0.0152 0.0373 288 LYS A O 408 C CB . LYS A 68 ? 0.8940 0.9118 0.6219 -0.0249 0.0090 0.0445 288 LYS A CB 409 C CG . LYS A 68 ? 1.0630 1.0772 0.7855 -0.0242 0.0073 0.0508 288 LYS A CG 410 C CD . LYS A 68 ? 1.1824 1.1997 0.8974 -0.0262 0.0128 0.0592 288 LYS A CD 411 C CE . LYS A 68 ? 1.1644 1.1795 0.8660 -0.0206 0.0127 0.0661 288 LYS A CE 412 N NZ . LYS A 68 ? 1.2357 1.2571 0.9305 -0.0212 0.0204 0.0721 288 LYS A NZ 413 N N . THR A 69 ? 0.7282 0.7580 0.4553 -0.0260 0.0178 0.0443 289 THR A N 414 C CA . THR A 69 ? 0.7124 0.7435 0.4400 -0.0223 0.0195 0.0409 289 THR A CA 415 C C . THR A 69 ? 0.6986 0.7348 0.4222 -0.0172 0.0189 0.0374 289 THR A C 416 O O . THR A 69 ? 0.7181 0.7617 0.4356 -0.0160 0.0194 0.0401 289 THR A O 417 C CB . THR A 69 ? 0.6788 0.7159 0.4063 -0.0227 0.0212 0.0436 289 THR A CB 418 O OG1 . THR A 69 ? 0.6206 0.6523 0.3497 -0.0262 0.0205 0.0446 289 THR A OG1 419 C CG2 . THR A 69 ? 0.6131 0.6502 0.3397 -0.0171 0.0229 0.0414 289 THR A CG2 420 N N . LYS A 70 ? 0.6681 0.6997 0.3957 -0.0140 0.0189 0.0312 290 LYS A N 421 C CA . LYS A 70 ? 0.6343 0.6693 0.3594 -0.0089 0.0170 0.0249 290 LYS A CA 422 C C . LYS A 70 ? 0.6722 0.7120 0.3951 -0.0050 0.0206 0.0249 290 LYS A C 423 O O . LYS A 70 ? 0.6512 0.6883 0.3772 -0.0050 0.0237 0.0277 290 LYS A O 424 C CB . LYS A 70 ? 0.6081 0.6352 0.3439 -0.0084 0.0149 0.0161 290 LYS A CB 425 C CG . LYS A 70 ? 0.6375 0.6621 0.3787 -0.0111 0.0104 0.0144 290 LYS A CG 426 C CD . LYS A 70 ? 0.6989 0.7193 0.4558 -0.0102 0.0078 0.0024 290 LYS A CD 427 C CE . LYS A 70 ? 0.7918 0.8146 0.5550 -0.0100 0.0000 -0.0026 290 LYS A CE 428 N NZ . LYS A 70 ? 0.9123 0.9279 0.6947 -0.0153 0.0037 -0.0042 290 LYS A NZ 429 N N . PRO A 71 ? 0.7185 0.7660 0.4343 0.0000 0.0203 0.0218 291 PRO A N 430 C CA . PRO A 71 ? 0.6547 0.7074 0.3705 0.0047 0.0242 0.0211 291 PRO A CA 431 C C . PRO A 71 ? 0.6655 0.7074 0.3897 0.0072 0.0251 0.0152 291 PRO A C 432 O O . PRO A 71 ? 0.6792 0.7118 0.4100 0.0055 0.0229 0.0095 291 PRO A O 433 C CB . PRO A 71 ? 0.6613 0.7223 0.3668 0.0103 0.0242 0.0171 291 PRO A CB 434 C CG . PRO A 71 ? 0.6404 0.6983 0.3396 0.0104 0.0185 0.0139 291 PRO A CG 435 C CD . PRO A 71 ? 0.6575 0.7085 0.3638 0.0034 0.0163 0.0184 291 PRO A CD 436 N N . ARG A 72 ? 0.6614 0.7042 0.3871 0.0117 0.0287 0.0165 292 ARG A N 437 C CA . ARG A 72 ? 0.6535 0.6827 0.3862 0.0151 0.0315 0.0134 292 ARG A CA 438 C C . ARG A 72 ? 0.7036 0.7285 0.4410 0.0175 0.0301 0.0020 292 ARG A C 439 O O . ARG A 72 ? 0.8463 0.8817 0.5766 0.0199 0.0271 -0.0027 292 ARG A O 440 C CB . ARG A 72 ? 0.6139 0.6459 0.3454 0.0220 0.0346 0.0171 292 ARG A CB 441 C CG . ARG A 72 ? 0.5737 0.6174 0.3032 0.0280 0.0351 0.0127 292 ARG A CG 442 C CD . ARG A 72 ? 0.6066 0.6590 0.3370 0.0345 0.0368 0.0172 292 ARG A CD 443 N NE . ARG A 72 ? 0.6460 0.7080 0.3768 0.0415 0.0390 0.0113 292 ARG A NE 444 C CZ . ARG A 72 ? 0.6696 0.7429 0.4041 0.0486 0.0406 0.0128 292 ARG A CZ 445 N NH1 . ARG A 72 ? 0.7194 0.7964 0.4569 0.0503 0.0386 0.0193 292 ARG A NH1 446 N NH2 . ARG A 72 ? 0.6437 0.7255 0.3788 0.0550 0.0436 0.0068 292 ARG A NH2 447 N N . GLU A 73 ? 0.7505 0.7598 0.4994 0.0177 0.0331 -0.0029 293 GLU A N 448 C CA . GLU A 73 ? 0.7883 0.7921 0.5475 0.0194 0.0313 -0.0171 293 GLU A CA 449 C C . GLU A 73 ? 0.8015 0.7884 0.5718 0.0230 0.0388 -0.0186 293 GLU A C 450 O O . GLU A 73 ? 0.8629 0.8352 0.6418 0.0197 0.0450 -0.0134 293 GLU A O 451 C CB . GLU A 73 ? 0.8039 0.8046 0.5739 0.0127 0.0272 -0.0231 293 GLU A CB 452 C CG . GLU A 73 ? 1.0335 1.0406 0.8075 0.0144 0.0183 -0.0389 293 GLU A CG 453 C CD . GLU A 73 ? 1.3033 1.2982 1.1030 0.0119 0.0188 -0.0533 293 GLU A CD 454 O OE1 . GLU A 73 ? 1.1290 1.1201 0.9459 0.0055 0.0180 -0.0565 293 GLU A OE1 455 O OE2 . GLU A 73 ? 1.3637 1.3531 1.1696 0.0164 0.0205 -0.0627 293 GLU A OE2 456 N N . GLU A 74 ? 0.7622 0.7497 0.5316 0.0304 0.0396 -0.0249 294 GLU A N 457 C CA . GLU A 74 ? 0.7580 0.7274 0.5388 0.0348 0.0468 -0.0272 294 GLU A CA 458 C C . GLU A 74 ? 0.7943 0.7472 0.5973 0.0293 0.0496 -0.0376 294 GLU A C 459 O O . GLU A 74 ? 0.9227 0.8818 0.7338 0.0265 0.0425 -0.0518 294 GLU A O 460 C CB . GLU A 74 ? 0.7792 0.7539 0.5566 0.0438 0.0458 -0.0356 294 GLU A CB 461 C CG . GLU A 74 ? 0.9278 0.8827 0.7153 0.0503 0.0540 -0.0357 294 GLU A CG 462 C CD . GLU A 74 ? 0.9989 0.9495 0.7767 0.0565 0.0596 -0.0187 294 GLU A CD 463 O OE1 . GLU A 74 ? 1.0470 1.0022 0.8162 0.0529 0.0590 -0.0067 294 GLU A OE1 464 O OE2 . GLU A 74 ? 1.0324 0.9750 0.8112 0.0662 0.0638 -0.0179 294 GLU A OE2 465 N N . GLN A 75 ? 0.7950 0.7266 0.6090 0.0286 0.0602 -0.0311 295 GLN A N 466 C CA . GLN A 75 ? 0.7599 0.6753 0.6007 0.0215 0.0656 -0.0402 295 GLN A CA 467 C C . GLN A 75 ? 0.7722 0.6715 0.6296 0.0255 0.0709 -0.0508 295 GLN A C 468 O O . GLN A 75 ? 0.7908 0.6865 0.6372 0.0347 0.0734 -0.0463 295 GLN A O 469 C CB . GLN A 75 ? 0.7131 0.6128 0.5554 0.0179 0.0772 -0.0248 295 GLN A CB 470 C CG . GLN A 75 ? 0.6908 0.6055 0.5179 0.0140 0.0717 -0.0161 295 GLN A CG 471 C CD . GLN A 75 ? 0.7140 0.6395 0.5562 0.0056 0.0640 -0.0286 295 GLN A CD 472 O OE1 . GLN A 75 ? 0.7421 0.6566 0.6105 -0.0006 0.0696 -0.0363 295 GLN A OE1 473 N NE2 . GLN A 75 ? 0.6526 0.5996 0.4809 0.0060 0.0512 -0.0320 295 GLN A NE2 474 N N . TYR A 76 ? 0.8175 0.7070 0.7039 0.0191 0.0726 -0.0659 296 TYR A N 475 C CA . TYR A 76 ? 0.8201 0.6910 0.7252 0.0228 0.0791 -0.0765 296 TYR A CA 476 C C . TYR A 76 ? 0.7929 0.6394 0.6921 0.0297 0.0945 -0.0591 296 TYR A C 477 O O . TYR A 76 ? 0.8078 0.6439 0.7102 0.0370 0.0973 -0.0640 296 TYR A O 478 C CB . TYR A 76 ? 0.8147 0.6773 0.7589 0.0135 0.0797 -0.0970 296 TYR A CB 479 C CG . TYR A 76 ? 0.9117 0.7997 0.8581 0.0109 0.0612 -0.1168 296 TYR A CG 480 C CD1 . TYR A 76 ? 0.9873 0.8973 0.9036 0.0193 0.0477 -0.1198 296 TYR A CD1 481 C CD2 . TYR A 76 ? 0.9556 0.8466 0.9337 0.0012 0.0571 -0.1326 296 TYR A CD2 482 C CE1 . TYR A 76 ? 0.9997 0.9312 0.9126 0.0192 0.0312 -0.1359 296 TYR A CE1 483 C CE2 . TYR A 76 ? 0.9714 0.8862 0.9488 0.0015 0.0381 -0.1510 296 TYR A CE2 484 C CZ . TYR A 76 ? 1.0149 0.9487 0.9572 0.0111 0.0254 -0.1516 296 TYR A CZ 485 O OH . TYR A 76 ? 1.0817 1.0366 1.0186 0.0135 0.0076 -0.1676 296 TYR A OH 486 N N . ASN A 77 ? 0.8360 0.6737 0.7233 0.0294 0.1037 -0.0385 297 ASN A N 487 C CA . ASN A 77 ? 0.8146 0.6290 0.6903 0.0393 0.1172 -0.0204 297 ASN A CA 488 C C . ASN A 77 ? 0.8245 0.6524 0.6681 0.0517 0.1104 -0.0087 297 ASN A C 489 O O . ASN A 77 ? 0.8966 0.7097 0.7261 0.0609 0.1186 0.0076 297 ASN A O 490 C CB . ASN A 77 ? 0.8154 0.6098 0.6931 0.0353 0.1325 -0.0043 297 ASN A CB 491 C CG . ASN A 77 ? 0.8396 0.6527 0.6988 0.0312 0.1262 0.0045 297 ASN A CG 492 O OD1 . ASN A 77 ? 0.8588 0.6966 0.6972 0.0345 0.1122 0.0048 297 ASN A OD1 493 N ND2 . ASN A 77 ? 0.8576 0.6589 0.7260 0.0238 0.1377 0.0116 297 ASN A ND2 494 N N . SER A 78 ? 0.8435 0.6995 0.6762 0.0527 0.0959 -0.0171 298 SER A N 495 C CA . SER A 78 ? 0.8518 0.7249 0.6600 0.0635 0.0894 -0.0084 298 SER A CA 496 C C . SER A 78 ? 0.8738 0.7524 0.6616 0.0655 0.0892 0.0096 298 SER A C 497 O O . SER A 78 ? 0.9338 0.8130 0.7067 0.0772 0.0892 0.0200 298 SER A O 498 C CB . SER A 78 ? 0.8138 0.6734 0.6216 0.0766 0.0946 -0.0068 298 SER A CB 499 O OG . SER A 78 ? 0.8637 0.7109 0.6938 0.0737 0.0974 -0.0233 298 SER A OG 500 N N . THR A 79 ? 0.7857 0.6682 0.5740 0.0552 0.0884 0.0118 299 THR A N 501 C CA . THR A 79 ? 0.7879 0.6806 0.5569 0.0559 0.0853 0.0247 299 THR A CA 502 C C . THR A 79 ? 0.7653 0.6815 0.5351 0.0455 0.0750 0.0174 299 THR A C 503 O O . THR A 79 ? 0.7597 0.6789 0.5443 0.0378 0.0723 0.0046 299 THR A O 504 C CB . THR A 79 ? 0.8357 0.7042 0.6014 0.0560 0.0977 0.0379 299 THR A CB 505 O OG1 . THR A 79 ? 0.8379 0.7000 0.6221 0.0432 0.1026 0.0317 299 THR A OG1 506 C CG2 . THR A 79 ? 0.7831 0.6230 0.5500 0.0668 0.1103 0.0450 299 THR A CG2 507 N N . TYR A 80 ? 0.7478 0.6812 0.5024 0.0459 0.0684 0.0242 300 TYR A N 508 C CA . TYR A 80 ? 0.7260 0.6794 0.4804 0.0369 0.0598 0.0188 300 TYR A CA 509 C C . TYR A 80 ? 0.7531 0.6992 0.5102 0.0284 0.0626 0.0226 300 TYR A C 510 O O . TYR A 80 ? 0.7502 0.6819 0.5016 0.0310 0.0698 0.0323 300 TYR A O 511 C CB . TYR A 80 ? 0.7006 0.6759 0.4419 0.0399 0.0525 0.0235 300 TYR A CB 512 C CG . TYR A 80 ? 0.7220 0.7120 0.4639 0.0451 0.0490 0.0167 300 TYR A CG 513 C CD1 . TYR A 80 ? 0.7188 0.7177 0.4647 0.0412 0.0457 0.0058 300 TYR A CD1 514 C CD2 . TYR A 80 ? 0.7211 0.7174 0.4586 0.0549 0.0488 0.0208 300 TYR A CD2 515 C CE1 . TYR A 80 ? 0.7042 0.7162 0.4481 0.0471 0.0442 -0.0001 300 TYR A CE1 516 C CE2 . TYR A 80 ? 0.7539 0.7650 0.4934 0.0600 0.0471 0.0144 300 TYR A CE2 517 C CZ . TYR A 80 ? 0.7391 0.7574 0.4809 0.0560 0.0458 0.0042 300 TYR A CZ 518 O OH . TYR A 80 ? 0.6752 0.7064 0.4170 0.0626 0.0461 -0.0019 300 TYR A OH 519 N N . ARG A 81 ? 0.7227 0.6778 0.4870 0.0197 0.0574 0.0153 301 ARG A N 520 C CA . ARG A 81 ? 0.7064 0.6576 0.4729 0.0126 0.0595 0.0193 301 ARG A CA 521 C C . ARG A 81 ? 0.7129 0.6836 0.4698 0.0090 0.0500 0.0200 301 ARG A C 522 O O . ARG A 81 ? 0.7419 0.7254 0.4989 0.0087 0.0432 0.0133 301 ARG A O 523 C CB . ARG A 81 ? 0.6657 0.6090 0.4543 0.0058 0.0621 0.0091 301 ARG A CB 524 C CG . ARG A 81 ? 0.6344 0.5755 0.4302 -0.0016 0.0644 0.0109 301 ARG A CG 525 C CD . ARG A 81 ? 0.6503 0.5823 0.4745 -0.0071 0.0689 -0.0005 301 ARG A CD 526 N NE . ARG A 81 ? 0.6909 0.6237 0.5281 -0.0142 0.0705 -0.0019 301 ARG A NE 527 C CZ . ARG A 81 ? 0.7532 0.7015 0.5953 -0.0180 0.0593 -0.0096 301 ARG A CZ 528 N NH1 . ARG A 81 ? 0.7195 0.6837 0.5522 -0.0154 0.0458 -0.0161 301 ARG A NH1 529 N NH2 . ARG A 81 ? 0.7800 0.7274 0.6358 -0.0235 0.0625 -0.0102 301 ARG A NH2 530 N N . VAL A 82 ? 0.6857 0.6578 0.4335 0.0072 0.0500 0.0282 302 VAL A N 531 C CA . VAL A 82 ? 0.6807 0.6693 0.4216 0.0038 0.0422 0.0290 302 VAL A CA 532 C C . VAL A 82 ? 0.6955 0.6795 0.4389 -0.0023 0.0432 0.0310 302 VAL A C 533 O O . VAL A 82 ? 0.7692 0.7414 0.5097 -0.0010 0.0497 0.0363 302 VAL A O 534 C CB . VAL A 82 ? 0.6810 0.6791 0.4097 0.0085 0.0397 0.0356 302 VAL A CB 535 C CG1 . VAL A 82 ? 0.6316 0.6467 0.3583 0.0038 0.0333 0.0355 302 VAL A CG1 536 C CG2 . VAL A 82 ? 0.6474 0.6477 0.3751 0.0166 0.0406 0.0346 302 VAL A CG2 537 N N . VAL A 83 ? 0.6883 0.6807 0.4356 -0.0075 0.0375 0.0271 303 VAL A N 538 C CA . VAL A 83 ? 0.6826 0.6706 0.4365 -0.0130 0.0382 0.0268 303 VAL A CA 539 C C . VAL A 83 ? 0.7319 0.7294 0.4777 -0.0159 0.0325 0.0305 303 VAL A C 540 O O . VAL A 83 ? 0.7412 0.7502 0.4817 -0.0157 0.0270 0.0305 303 VAL A O 541 C CB . VAL A 83 ? 0.6467 0.6359 0.4164 -0.0156 0.0348 0.0167 303 VAL A CB 542 C CG1 . VAL A 83 ? 0.6259 0.6135 0.4048 -0.0203 0.0343 0.0157 303 VAL A CG1 543 C CG2 . VAL A 83 ? 0.6109 0.5897 0.3953 -0.0145 0.0408 0.0105 303 VAL A CG2 544 N N . SER A 84 ? 0.6868 0.6790 0.4323 -0.0188 0.0347 0.0336 304 SER A N 545 C CA . SER A 84 ? 0.6659 0.6655 0.4068 -0.0221 0.0293 0.0359 304 SER A CA 546 C C . SER A 84 ? 0.6709 0.6651 0.4193 -0.0256 0.0299 0.0344 304 SER A C 547 O O . SER A 84 ? 0.6963 0.6813 0.4473 -0.0254 0.0365 0.0349 304 SER A O 548 C CB . SER A 84 ? 0.6874 0.6899 0.4180 -0.0210 0.0291 0.0406 304 SER A CB 549 O OG . SER A 84 ? 0.7221 0.7273 0.4521 -0.0253 0.0259 0.0417 304 SER A OG 550 N N . VAL A 85 ? 0.6363 0.6357 0.3877 -0.0276 0.0240 0.0330 305 VAL A N 551 C CA . VAL A 85 ? 0.6210 0.6167 0.3828 -0.0297 0.0232 0.0302 305 VAL A CA 552 C C . VAL A 85 ? 0.6445 0.6394 0.4019 -0.0321 0.0211 0.0342 305 VAL A C 553 O O . VAL A 85 ? 0.6791 0.6789 0.4290 -0.0327 0.0175 0.0379 305 VAL A O 554 C CB . VAL A 85 ? 0.6030 0.6037 0.3739 -0.0277 0.0168 0.0236 305 VAL A CB 555 C CG1 . VAL A 85 ? 0.5501 0.5491 0.3362 -0.0284 0.0150 0.0189 305 VAL A CG1 556 C CG2 . VAL A 85 ? 0.6056 0.6060 0.3834 -0.0259 0.0190 0.0178 305 VAL A CG2 557 N N . LEU A 86 ? 0.6273 0.6154 0.3899 -0.0335 0.0248 0.0333 306 LEU A N 558 C CA . LEU A 86 ? 0.6410 0.6265 0.4011 -0.0356 0.0231 0.0354 306 LEU A CA 559 C C . LEU A 86 ? 0.6864 0.6688 0.4592 -0.0353 0.0223 0.0320 306 LEU A C 560 O O . LEU A 86 ? 0.7707 0.7503 0.5548 -0.0347 0.0272 0.0279 306 LEU A O 561 C CB . LEU A 86 ? 0.6523 0.6326 0.4043 -0.0361 0.0278 0.0362 306 LEU A CB 562 C CG . LEU A 86 ? 0.6515 0.6286 0.4017 -0.0385 0.0258 0.0361 306 LEU A CG 563 C CD1 . LEU A 86 ? 0.6304 0.6134 0.3779 -0.0414 0.0205 0.0391 306 LEU A CD1 564 C CD2 . LEU A 86 ? 0.6321 0.6043 0.3729 -0.0370 0.0296 0.0341 306 LEU A CD2 565 N N . THR A 87 ? 0.7283 0.7112 0.5012 -0.0350 0.0165 0.0339 307 THR A N 566 C CA . THR A 87 ? 0.7016 0.6829 0.4874 -0.0327 0.0141 0.0303 307 THR A CA 567 C C . THR A 87 ? 0.6871 0.6607 0.4743 -0.0347 0.0192 0.0300 307 THR A C 568 O O . THR A 87 ? 0.7319 0.7022 0.5085 -0.0372 0.0202 0.0332 307 THR A O 569 C CB . THR A 87 ? 0.6674 0.6503 0.4488 -0.0294 0.0060 0.0340 307 THR A CB 570 O OG1 . THR A 87 ? 0.7934 0.7841 0.5739 -0.0256 0.0009 0.0314 307 THR A OG1 571 C CG2 . THR A 87 ? 0.6292 0.6086 0.4210 -0.0261 0.0027 0.0321 307 THR A CG2 572 N N . VAL A 88 ? 0.6496 0.6212 0.4511 -0.0333 0.0228 0.0250 308 VAL A N 573 C CA . VAL A 88 ? 0.6051 0.5687 0.4061 -0.0341 0.0287 0.0238 308 VAL A CA 574 C C . VAL A 88 ? 0.6064 0.5679 0.4193 -0.0315 0.0249 0.0218 308 VAL A C 575 O O . VAL A 88 ? 0.6504 0.6174 0.4788 -0.0284 0.0217 0.0182 308 VAL A O 576 C CB . VAL A 88 ? 0.5826 0.5433 0.3876 -0.0339 0.0400 0.0207 308 VAL A CB 577 C CG1 . VAL A 88 ? 0.6218 0.5831 0.4140 -0.0348 0.0429 0.0238 308 VAL A CG1 578 C CG2 . VAL A 88 ? 0.5718 0.5371 0.4004 -0.0329 0.0433 0.0154 308 VAL A CG2 579 N N . LEU A 89 ? 0.6250 0.5788 0.4325 -0.0321 0.0246 0.0231 309 LEU A N 580 C CA . LEU A 89 ? 0.6042 0.5537 0.4242 -0.0285 0.0229 0.0205 309 LEU A CA 581 C C . LEU A 89 ? 0.6406 0.5930 0.4779 -0.0263 0.0301 0.0136 309 LEU A C 582 O O . LEU A 89 ? 0.6710 0.6220 0.5045 -0.0283 0.0398 0.0118 309 LEU A O 583 C CB . LEU A 89 ? 0.5706 0.5095 0.3832 -0.0302 0.0239 0.0212 309 LEU A CB 584 C CG . LEU A 89 ? 0.5870 0.5242 0.3860 -0.0346 0.0200 0.0272 309 LEU A CG 585 C CD1 . LEU A 89 ? 0.5659 0.4916 0.3651 -0.0364 0.0196 0.0269 309 LEU A CD1 586 C CD2 . LEU A 89 ? 0.5294 0.4719 0.3250 -0.0336 0.0140 0.0343 309 LEU A CD2 587 N N . HIS A 90 ? 0.6736 0.6298 0.5300 -0.0216 0.0259 0.0099 310 HIS A N 588 C CA . HIS A 90 ? 0.6931 0.6554 0.5738 -0.0197 0.0325 0.0021 310 HIS A CA 589 C C . HIS A 90 ? 0.7255 0.6791 0.6042 -0.0202 0.0446 -0.0003 310 HIS A C 590 O O . HIS A 90 ? 0.7601 0.7139 0.6432 -0.0216 0.0573 -0.0029 310 HIS A O 591 C CB . HIS A 90 ? 0.7104 0.6799 0.6133 -0.0128 0.0229 -0.0024 310 HIS A CB 592 C CG . HIS A 90 ? 0.6917 0.6729 0.6012 -0.0101 0.0114 -0.0040 310 HIS A CG 593 N ND1 . HIS A 90 ? 0.6919 0.6718 0.5837 -0.0064 -0.0006 0.0025 310 HIS A ND1 594 C CD2 . HIS A 90 ? 0.7385 0.7324 0.6696 -0.0103 0.0106 -0.0121 310 HIS A CD2 595 C CE1 . HIS A 90 ? 0.6898 0.6817 0.5891 -0.0033 -0.0094 -0.0020 310 HIS A CE1 596 N NE2 . HIS A 90 ? 0.6969 0.6977 0.6215 -0.0061 -0.0035 -0.0118 310 HIS A NE2 597 N N . GLN A 91 ? 0.6925 0.6371 0.5632 -0.0184 0.0413 0.0009 311 GLN A N 598 C CA . GLN A 91 ? 0.6854 0.6212 0.5520 -0.0177 0.0514 -0.0031 311 GLN A CA 599 C C . GLN A 91 ? 0.7233 0.6538 0.5656 -0.0212 0.0586 -0.0016 311 GLN A C 600 O O . GLN A 91 ? 0.7541 0.6798 0.5920 -0.0192 0.0702 -0.0055 311 GLN A O 601 C CB . GLN A 91 ? 0.6522 0.5784 0.5183 -0.0148 0.0456 -0.0038 311 GLN A CB 602 C CG . GLN A 91 ? 0.6562 0.5748 0.5040 -0.0185 0.0377 0.0019 311 GLN A CG 603 C CD . GLN A 91 ? 0.6921 0.6137 0.5415 -0.0175 0.0265 0.0095 311 GLN A CD 604 O OE1 . GLN A 91 ? 0.6632 0.5957 0.5223 -0.0146 0.0224 0.0102 311 GLN A OE1 605 N NE2 . GLN A 91 ? 0.6749 0.5865 0.5147 -0.0194 0.0220 0.0147 311 GLN A NE2 606 N N . ASP A 92 ? 0.7034 0.6350 0.5295 -0.0249 0.0523 0.0038 312 ASP A N 607 C CA . ASP A 92 ? 0.7104 0.6389 0.5143 -0.0263 0.0576 0.0046 312 ASP A CA 608 C C . ASP A 92 ? 0.7246 0.6554 0.5314 -0.0249 0.0699 0.0050 312 ASP A C 609 O O . ASP A 92 ? 0.7527 0.6773 0.5526 -0.0215 0.0818 0.0023 312 ASP A O 610 C CB . ASP A 92 ? 0.6832 0.6142 0.4726 -0.0301 0.0490 0.0093 312 ASP A CB 611 C CG . ASP A 92 ? 0.7230 0.6489 0.5096 -0.0324 0.0408 0.0086 312 ASP A CG 612 O OD1 . ASP A 92 ? 0.7122 0.6315 0.5067 -0.0303 0.0420 0.0044 312 ASP A OD1 613 O OD2 . ASP A 92 ? 0.7861 0.7141 0.5659 -0.0363 0.0341 0.0120 312 ASP A OD2 614 N N . TRP A 93 ? 0.6955 0.6342 0.5149 -0.0269 0.0683 0.0075 313 TRP A N 615 C CA . TRP A 93 ? 0.6801 0.6194 0.5070 -0.0266 0.0813 0.0078 313 TRP A CA 616 C C . TRP A 93 ? 0.7309 0.6655 0.5677 -0.0235 0.0960 0.0036 313 TRP A C 617 O O . TRP A 93 ? 0.7943 0.7208 0.6154 -0.0208 0.1099 0.0058 313 TRP A O 618 C CB . TRP A 93 ? 0.6197 0.5689 0.4689 -0.0290 0.0768 0.0069 313 TRP A CB 619 C CG . TRP A 93 ? 0.6230 0.5711 0.4830 -0.0301 0.0914 0.0071 313 TRP A CG 620 C CD1 . TRP A 93 ? 0.5989 0.5507 0.4899 -0.0308 0.1021 0.0017 313 TRP A CD1 621 C CD2 . TRP A 93 ? 0.6119 0.5542 0.4548 -0.0306 0.0983 0.0130 313 TRP A CD2 622 N NE1 . TRP A 93 ? 0.5790 0.5259 0.4729 -0.0327 0.1164 0.0046 313 TRP A NE1 623 C CE2 . TRP A 93 ? 0.5868 0.5268 0.4499 -0.0318 0.1142 0.0121 313 TRP A CE2 624 C CE3 . TRP A 93 ? 0.6313 0.5698 0.4451 -0.0295 0.0933 0.0189 313 TRP A CE3 625 C CZ2 . TRP A 93 ? 0.5993 0.5306 0.4518 -0.0315 0.1256 0.0183 313 TRP A CZ2 626 C CZ3 . TRP A 93 ? 0.6301 0.5621 0.4334 -0.0283 0.1030 0.0244 313 TRP A CZ3 627 C CH2 . TRP A 93 ? 0.6064 0.5335 0.4278 -0.0291 0.1191 0.0247 313 TRP A CH2 628 N N . LEU A 94 ? 0.7135 0.6527 0.5737 -0.0224 0.0929 -0.0019 314 LEU A N 629 C CA . LEU A 94 ? 0.7251 0.6629 0.6018 -0.0194 0.1067 -0.0069 314 LEU A CA 630 C C . LEU A 94 ? 0.7644 0.6907 0.6177 -0.0151 0.1157 -0.0079 314 LEU A C 631 O O . LEU A 94 ? 0.7832 0.7064 0.6431 -0.0121 0.1326 -0.0102 314 LEU A O 632 C CB . LEU A 94 ? 0.7337 0.6797 0.6395 -0.0176 0.0983 -0.0132 314 LEU A CB 633 C CG . LEU A 94 ? 0.8073 0.7674 0.7442 -0.0194 0.0924 -0.0163 314 LEU A CG 634 C CD1 . LEU A 94 ? 0.8303 0.7984 0.7921 -0.0148 0.0818 -0.0227 314 LEU A CD1 635 C CD2 . LEU A 94 ? 0.8288 0.7928 0.7884 -0.0222 0.1097 -0.0189 314 LEU A CD2 636 N N . ASN A 95 ? 0.7522 0.6727 0.5811 -0.0146 0.1048 -0.0075 315 ASN A N 637 C CA . ASN A 95 ? 0.7410 0.6511 0.5459 -0.0099 0.1106 -0.0109 315 ASN A CA 638 C C . ASN A 95 ? 0.7722 0.6763 0.5449 -0.0072 0.1178 -0.0065 315 ASN A C 639 O O . ASN A 95 ? 0.8081 0.7050 0.5545 -0.0027 0.1168 -0.0100 315 ASN A O 640 C CB . ASN A 95 ? 0.7648 0.6715 0.5624 -0.0108 0.0955 -0.0146 315 ASN A CB 641 C CG . ASN A 95 ? 0.8917 0.7956 0.7073 -0.0079 0.0955 -0.0213 315 ASN A CG 642 O OD1 . ASN A 95 ? 1.0170 0.9178 0.8364 -0.0029 0.1089 -0.0262 315 ASN A OD1 643 N ND2 . ASN A 95 ? 0.8922 0.7961 0.7186 -0.0102 0.0817 -0.0211 315 ASN A ND2 644 N N . GLY A 96 ? 0.7346 0.6412 0.5092 -0.0091 0.1240 0.0005 316 GLY A N 645 C CA . GLY A 96 ? 0.7081 0.6078 0.4533 -0.0049 0.1312 0.0062 316 GLY A CA 646 C C . GLY A 96 ? 0.7559 0.6569 0.4780 -0.0052 0.1162 0.0080 316 GLY A C 647 O O . GLY A 96 ? 0.8129 0.7081 0.5071 0.0008 0.1208 0.0119 316 GLY A O 648 N N . LYS A 97 ? 0.7635 0.6720 0.4958 -0.0111 0.0990 0.0057 317 LYS A N 649 C CA . LYS A 97 ? 0.7479 0.6598 0.4626 -0.0120 0.0862 0.0073 317 LYS A CA 650 C C . LYS A 97 ? 0.7655 0.6784 0.4720 -0.0108 0.0908 0.0154 317 LYS A C 651 O O . LYS A 97 ? 0.7716 0.6844 0.4945 -0.0126 0.1003 0.0194 317 LYS A O 652 C CB . LYS A 97 ? 0.7005 0.6195 0.4303 -0.0190 0.0711 0.0061 317 LYS A CB 653 C CG . LYS A 97 ? 0.7170 0.6323 0.4531 -0.0200 0.0658 -0.0013 317 LYS A CG 654 C CD . LYS A 97 ? 0.6947 0.6135 0.4341 -0.0256 0.0516 -0.0020 317 LYS A CD 655 C CE . LYS A 97 ? 0.7561 0.6679 0.5043 -0.0263 0.0486 -0.0089 317 LYS A CE 656 N NZ . LYS A 97 ? 0.7907 0.7032 0.5486 -0.0327 0.0381 -0.0077 317 LYS A NZ 657 N N . GLU A 98 ? 0.7594 0.6728 0.4425 -0.0072 0.0843 0.0168 318 GLU A N 658 C CA . GLU A 98 ? 0.7779 0.6892 0.4478 -0.0030 0.0898 0.0248 318 GLU A CA 659 C C . GLU A 98 ? 0.7812 0.7030 0.4556 -0.0075 0.0760 0.0263 318 GLU A C 660 O O . GLU A 98 ? 0.8041 0.7328 0.4761 -0.0097 0.0627 0.0213 318 GLU A O 661 C CB . GLU A 98 ? 0.7965 0.6994 0.4312 0.0087 0.0944 0.0254 318 GLU A CB 662 C CG . GLU A 98 ? 0.9023 0.7934 0.5285 0.0148 0.1115 0.0253 318 GLU A CG 663 C CD . GLU A 98 ? 1.0088 0.8897 0.5938 0.0293 0.1171 0.0263 318 GLU A CD 664 O OE1 . GLU A 98 ? 0.9205 0.7915 0.4950 0.0353 0.1316 0.0253 318 GLU A OE1 665 O OE2 . GLU A 98 ? 1.0732 0.9565 0.6356 0.0358 0.1070 0.0275 318 GLU A OE2 666 N N . TYR A 99 ? 0.7509 0.6738 0.4333 -0.0091 0.0796 0.0325 319 TYR A N 667 C CA . TYR A 99 ? 0.7210 0.6547 0.4095 -0.0133 0.0672 0.0332 319 TYR A CA 668 C C . TYR A 99 ? 0.7419 0.6737 0.4123 -0.0065 0.0687 0.0385 319 TYR A C 669 O O . TYR A 99 ? 0.7566 0.6788 0.4242 -0.0026 0.0815 0.0446 319 TYR A O 670 C CB . TYR A 99 ? 0.6942 0.6331 0.4090 -0.0205 0.0666 0.0339 319 TYR A CB 671 C CG . TYR A 99 ? 0.6904 0.6313 0.4211 -0.0250 0.0632 0.0291 319 TYR A CG 672 C CD1 . TYR A 99 ? 0.7060 0.6408 0.4463 -0.0242 0.0731 0.0268 319 TYR A CD1 673 C CD2 . TYR A 99 ? 0.7323 0.6805 0.4683 -0.0294 0.0512 0.0273 319 TYR A CD2 674 C CE1 . TYR A 99 ? 0.6983 0.6350 0.4534 -0.0269 0.0690 0.0222 319 TYR A CE1 675 C CE2 . TYR A 99 ? 0.7111 0.6587 0.4596 -0.0320 0.0480 0.0242 319 TYR A CE2 676 C CZ . TYR A 99 ? 0.7114 0.6536 0.4694 -0.0304 0.0561 0.0213 319 TYR A CZ 677 O OH . TYR A 99 ? 0.7599 0.7016 0.5307 -0.0318 0.0519 0.0182 319 TYR A OH 678 N N . LYS A 100 ? 0.7213 0.6614 0.3809 -0.0046 0.0567 0.0362 320 LYS A N 679 C CA . LYS A 100 ? 0.8006 0.7404 0.4428 0.0038 0.0561 0.0407 320 LYS A CA 680 C C . LYS A 100 ? 0.7553 0.7061 0.4108 -0.0008 0.0487 0.0419 320 LYS A C 681 O O . LYS A 100 ? 0.8194 0.7813 0.4883 -0.0082 0.0393 0.0375 320 LYS A O 682 C CB . LYS A 100 ? 0.8518 0.7955 0.4722 0.0117 0.0465 0.0355 320 LYS A CB 683 C CG . LYS A 100 ? 0.8385 0.7802 0.4363 0.0242 0.0460 0.0405 320 LYS A CG 684 C CD . LYS A 100 ? 0.8593 0.8124 0.4441 0.0305 0.0305 0.0318 320 LYS A CD 685 C CE . LYS A 100 ? 0.9067 0.8502 0.4616 0.0427 0.0324 0.0286 320 LYS A CE 686 N NZ . LYS A 100 ? 0.9261 0.8827 0.4796 0.0435 0.0155 0.0144 320 LYS A NZ 687 N N . CYS A 101 ? 0.7529 0.7000 0.4035 0.0043 0.0535 0.0480 321 CYS A N 688 C CA . CYS A 101 ? 0.7457 0.7034 0.4066 0.0019 0.0470 0.0487 321 CYS A CA 689 C C . CYS A 101 ? 0.7710 0.7302 0.4136 0.0127 0.0433 0.0513 321 CYS A C 690 O O . CYS A 101 ? 0.8175 0.7630 0.4443 0.0222 0.0524 0.0578 321 CYS A O 691 C CB . CYS A 101 ? 0.7292 0.6813 0.4054 -0.0017 0.0553 0.0519 321 CYS A CB 692 S SG . CYS A 101 ? 0.7996 0.7622 0.4825 -0.0012 0.0490 0.0524 321 CYS A SG 693 N N . LYS A 102 ? 0.7330 0.7084 0.3785 0.0124 0.0308 0.0466 322 LYS A N 694 C CA . LYS A 102 ? 0.7358 0.7155 0.3664 0.0238 0.0252 0.0476 322 LYS A CA 695 C C . LYS A 102 ? 0.7874 0.7769 0.4310 0.0226 0.0226 0.0490 322 LYS A C 696 O O . LYS A 102 ? 0.8241 0.8275 0.4872 0.0127 0.0176 0.0450 322 LYS A O 697 C CB . LYS A 102 ? 0.7402 0.7334 0.3677 0.0253 0.0122 0.0388 322 LYS A CB 698 C CG . LYS A 102 ? 0.7997 0.8039 0.4179 0.0369 0.0023 0.0370 322 LYS A CG 699 C CD . LYS A 102 ? 0.8143 0.8304 0.4275 0.0404 -0.0113 0.0257 322 LYS A CD 700 C CE . LYS A 102 ? 0.8558 0.8879 0.4669 0.0512 -0.0234 0.0218 322 LYS A CE 701 N NZ . LYS A 102 ? 0.9525 1.0033 0.5735 0.0498 -0.0390 0.0070 322 LYS A NZ 702 N N . VAL A 103 ? 0.7599 0.7412 0.3924 0.0330 0.0273 0.0552 323 VAL A N 703 C CA . VAL A 103 ? 0.7180 0.7057 0.3621 0.0333 0.0268 0.0566 323 VAL A CA 704 C C . VAL A 103 ? 0.7847 0.7817 0.4187 0.0462 0.0183 0.0564 323 VAL A C 705 O O . VAL A 103 ? 0.8593 0.8455 0.4705 0.0596 0.0193 0.0609 323 VAL A O 706 C CB . VAL A 103 ? 0.6776 0.6462 0.3225 0.0344 0.0402 0.0631 323 VAL A CB 707 C CG1 . VAL A 103 ? 0.6463 0.6189 0.2999 0.0372 0.0399 0.0637 323 VAL A CG1 708 C CG2 . VAL A 103 ? 0.6555 0.6174 0.3146 0.0226 0.0474 0.0616 323 VAL A CG2 709 N N . SER A 104 ? 0.7477 0.7644 0.3977 0.0436 0.0105 0.0516 324 SER A N 710 C CA . SER A 104 ? 0.7360 0.7638 0.3814 0.0563 0.0023 0.0505 324 SER A CA 711 C C . SER A 104 ? 0.7498 0.7817 0.4069 0.0579 0.0053 0.0522 324 SER A C 712 O O . SER A 104 ? 0.7907 0.8271 0.4647 0.0469 0.0093 0.0504 324 SER A O 713 C CB . SER A 104 ? 0.7534 0.8059 0.4108 0.0535 -0.0111 0.0405 324 SER A CB 714 O OG . SER A 104 ? 0.8080 0.8583 0.4616 0.0475 -0.0137 0.0363 324 SER A OG 715 N N . ASN A 105 ? 0.7676 0.7990 0.4147 0.0731 0.0023 0.0549 325 ASN A N 716 C CA . ASN A 105 ? 0.7576 0.7887 0.4128 0.0776 0.0062 0.0570 325 ASN A CA 717 C C . ASN A 105 ? 0.8013 0.8341 0.4435 0.0968 -0.0002 0.0594 325 ASN A C 718 O O . ASN A 105 ? 0.8667 0.8847 0.4847 0.1087 -0.0002 0.0652 325 ASN A O 719 C CB . ASN A 105 ? 0.7483 0.7542 0.4004 0.0747 0.0203 0.0635 325 ASN A CB 720 C CG . ASN A 105 ? 0.8306 0.8339 0.4906 0.0802 0.0243 0.0642 325 ASN A CG 721 O OD1 . ASN A 105 ? 0.8476 0.8349 0.4958 0.0935 0.0287 0.0708 325 ASN A OD1 722 N ND2 . ASN A 105 ? 0.9089 0.9277 0.5882 0.0709 0.0233 0.0575 325 ASN A ND2 723 N N . LYS A 106 ? 0.8306 0.8803 0.4876 0.1013 -0.0049 0.0555 326 LYS A N 724 C CA . LYS A 106 ? 0.8433 0.9044 0.4943 0.1195 -0.0158 0.0543 326 LYS A CA 725 C C . LYS A 106 ? 0.8959 0.9302 0.5206 0.1374 -0.0102 0.0656 326 LYS A C 726 O O . LYS A 106 ? 0.9172 0.9544 0.5256 0.1552 -0.0197 0.0669 326 LYS A O 727 C CB . LYS A 106 ? 0.7874 0.8733 0.4639 0.1202 -0.0201 0.0475 326 LYS A CB 728 C CG . LYS A 106 ? 0.7870 0.9032 0.4872 0.1084 -0.0287 0.0365 326 LYS A CG 729 C CD . LYS A 106 ? 0.8993 1.0430 0.6249 0.1119 -0.0335 0.0293 326 LYS A CD 730 C CE . LYS A 106 ? 1.0164 1.1848 0.7696 0.0945 -0.0349 0.0205 326 LYS A CE 731 N NZ . LYS A 106 ? 1.0926 1.2897 0.8745 0.0970 -0.0371 0.0134 326 LYS A NZ 732 N N . ALA A 107 ? 0.8826 0.8911 0.5044 0.1332 0.0052 0.0732 327 ALA A N 733 C CA . ALA A 107 ? 0.8962 0.8742 0.4960 0.1483 0.0151 0.0856 327 ALA A CA 734 C C . ALA A 107 ? 0.9631 0.9208 0.5355 0.1520 0.0201 0.0936 327 ALA A C 735 O O . ALA A 107 ? 0.9960 0.9243 0.5472 0.1638 0.0317 0.1061 327 ALA A O 736 C CB . ALA A 107 ? 0.8158 0.7741 0.4283 0.1406 0.0303 0.0886 327 ALA A CB 737 N N . LEU A 108 ? 0.9614 0.9318 0.5341 0.1417 0.0139 0.0872 328 LEU A N 738 C CA . LEU A 108 ? 0.9996 0.9512 0.5440 0.1472 0.0190 0.0941 328 LEU A CA 739 C C . LEU A 108 ? 1.0605 1.0255 0.5830 0.1649 0.0023 0.0909 328 LEU A C 740 O O . LEU A 108 ? 1.1083 1.1043 0.6481 0.1617 -0.0144 0.0780 328 LEU A O 741 C CB . LEU A 108 ? 0.9082 0.8614 0.4626 0.1278 0.0233 0.0892 328 LEU A CB 742 C CG . LEU A 108 ? 0.8655 0.8059 0.4391 0.1106 0.0381 0.0906 328 LEU A CG 743 C CD1 . LEU A 108 ? 0.8689 0.8150 0.4462 0.0972 0.0371 0.0851 328 LEU A CD1 744 C CD2 . LEU A 108 ? 0.8605 0.7677 0.4227 0.1154 0.0572 0.1030 328 LEU A CD2 745 N N . PRO A 109 ? 1.0917 1.0340 0.5770 0.1837 0.0069 0.1019 329 PRO A N 746 C CA . PRO A 109 ? 1.0754 1.0286 0.5335 0.2027 -0.0099 0.0980 329 PRO A CA 747 C C . PRO A 109 ? 1.0212 0.9946 0.4871 0.1899 -0.0207 0.0839 329 PRO A C 748 O O . PRO A 109 ? 1.0335 1.0338 0.5036 0.1954 -0.0413 0.0706 329 PRO A O 749 C CB . PRO A 109 ? 1.1379 1.0555 0.5520 0.2208 0.0041 0.1148 329 PRO A CB 750 C CG . PRO A 109 ? 1.2041 1.0943 0.6278 0.2060 0.0293 0.1254 329 PRO A CG 751 C CD . PRO A 109 ? 1.1458 1.0502 0.6131 0.1866 0.0298 0.1180 329 PRO A CD 752 N N . ALA A 110 ? 0.9836 0.9442 0.4545 0.1729 -0.0071 0.0858 330 ALA A N 753 C CA . ALA A 110 ? 0.9665 0.9447 0.4513 0.1574 -0.0152 0.0723 330 ALA A CA 754 C C . ALA A 110 ? 0.9207 0.8929 0.4299 0.1334 -0.0016 0.0725 330 ALA A C 755 O O . ALA A 110 ? 0.9536 0.9029 0.4617 0.1298 0.0165 0.0834 330 ALA A O 756 C CB . ALA A 110 ? 0.9219 0.8927 0.3712 0.1706 -0.0196 0.0711 330 ALA A CB 757 N N . PRO A 111 ? 0.8707 0.8628 0.4029 0.1174 -0.0100 0.0600 331 PRO A N 758 C CA . PRO A 111 ? 0.8436 0.8280 0.3952 0.0977 0.0026 0.0613 331 PRO A CA 759 C C . PRO A 111 ? 0.8933 0.8495 0.4235 0.1006 0.0194 0.0714 331 PRO A C 760 O O . PRO A 111 ? 0.9615 0.9077 0.4606 0.1147 0.0192 0.0740 331 PRO A O 761 C CB . PRO A 111 ? 0.8036 0.8063 0.3704 0.0855 -0.0081 0.0484 331 PRO A CB 762 C CG . PRO A 111 ? 0.8239 0.8502 0.3936 0.0941 -0.0266 0.0383 331 PRO A CG 763 C CD . PRO A 111 ? 0.8354 0.8549 0.3784 0.1163 -0.0295 0.0448 331 PRO A CD 764 N N . ILE A 112 ? 0.8677 0.8124 0.4148 0.0882 0.0335 0.0762 332 ILE A N 765 C CA . ILE A 112 ? 0.8451 0.7666 0.3843 0.0856 0.0513 0.0836 332 ILE A CA 766 C C . ILE A 112 ? 0.8534 0.7810 0.4090 0.0699 0.0515 0.0760 332 ILE A C 767 O O . ILE A 112 ? 0.9096 0.8519 0.4922 0.0561 0.0456 0.0693 332 ILE A O 768 C CB . ILE A 112 ? 0.7931 0.7006 0.3493 0.0800 0.0657 0.0906 332 ILE A CB 769 C CG1 . ILE A 112 ? 0.8027 0.6986 0.3439 0.0955 0.0691 0.0998 332 ILE A CG1 770 C CG2 . ILE A 112 ? 0.7505 0.6393 0.3110 0.0728 0.0835 0.0950 332 ILE A CG2 771 C CD1 . ILE A 112 ? 0.8963 0.7753 0.4549 0.0905 0.0843 0.1058 332 ILE A CD1 772 N N . GLU A 113 ? 0.8786 0.7931 0.4177 0.0726 0.0600 0.0781 333 GLU A N 773 C CA . GLU A 113 ? 0.8586 0.7772 0.4112 0.0599 0.0606 0.0708 333 GLU A CA 774 C C . GLU A 113 ? 0.8708 0.7699 0.4265 0.0561 0.0806 0.0774 333 GLU A C 775 O O . GLU A 113 ? 0.9238 0.8045 0.4555 0.0674 0.0936 0.0859 333 GLU A O 776 C CB . GLU A 113 ? 0.8545 0.7796 0.3873 0.0665 0.0500 0.0630 333 GLU A CB 777 C CG . GLU A 113 ? 0.9427 0.8870 0.4720 0.0730 0.0306 0.0558 333 GLU A CG 778 C CD . GLU A 113 ? 1.0268 0.9856 0.5542 0.0722 0.0154 0.0419 333 GLU A CD 779 O OE1 . GLU A 113 ? 1.1231 1.0759 0.6485 0.0676 0.0196 0.0379 333 GLU A OE1 780 O OE2 . GLU A 113 ? 1.1135 1.0907 0.6441 0.0763 -0.0012 0.0338 333 GLU A OE2 781 N N . LYS A 114 ? 0.8238 0.7267 0.4097 0.0412 0.0840 0.0737 334 LYS A N 782 C CA . LYS A 114 ? 0.7983 0.6867 0.3927 0.0366 0.1017 0.0769 334 LYS A CA 783 C C . LYS A 114 ? 0.8019 0.6995 0.4101 0.0269 0.0967 0.0679 334 LYS A C 784 O O . LYS A 114 ? 0.8638 0.7781 0.4845 0.0198 0.0814 0.0602 334 LYS A O 785 C CB . LYS A 114 ? 0.7744 0.6564 0.3950 0.0292 0.1122 0.0801 334 LYS A CB 786 C CG . LYS A 114 ? 0.7827 0.6567 0.3965 0.0368 0.1152 0.0875 334 LYS A CG 787 C CD . LYS A 114 ? 0.8270 0.6760 0.4236 0.0470 0.1355 0.0996 334 LYS A CD 788 C CE . LYS A 114 ? 0.8725 0.7098 0.4928 0.0423 0.1480 0.1033 334 LYS A CE 789 N NZ . LYS A 114 ? 0.9861 0.8051 0.5766 0.0585 0.1558 0.1161 334 LYS A NZ 790 N N . THR A 115 ? 0.7988 0.6849 0.4054 0.0272 0.1109 0.0693 335 THR A N 791 C CA . THR A 115 ? 0.7821 0.6743 0.4000 0.0203 0.1081 0.0610 335 THR A CA 792 C C . THR A 115 ? 0.7834 0.6677 0.4257 0.0136 0.1250 0.0623 335 THR A C 793 O O . THR A 115 ? 0.8263 0.6957 0.4650 0.0179 0.1431 0.0701 335 THR A O 794 C CB . THR A 115 ? 0.7764 0.6641 0.3638 0.0303 0.1074 0.0584 335 THR A CB 795 O OG1 . THR A 115 ? 0.8234 0.7199 0.3914 0.0371 0.0910 0.0554 335 THR A OG1 796 C CG2 . THR A 115 ? 0.7281 0.6225 0.3285 0.0231 0.1022 0.0486 335 THR A CG2 797 N N . ILE A 116 ? 0.7248 0.6187 0.3927 0.0038 0.1198 0.0546 336 ILE A N 798 C CA . ILE A 116 ? 0.7083 0.5988 0.4044 -0.0022 0.1331 0.0538 336 ILE A CA 799 C C . ILE A 116 ? 0.6828 0.5815 0.3897 -0.0065 0.1260 0.0454 336 ILE A C 800 O O . ILE A 116 ? 0.6652 0.5732 0.3652 -0.0078 0.1091 0.0406 336 ILE A O 801 C CB . ILE A 116 ? 0.7512 0.6492 0.4769 -0.0104 0.1285 0.0519 336 ILE A CB 802 C CG1 . ILE A 116 ? 0.7917 0.6836 0.5467 -0.0148 0.1453 0.0514 336 ILE A CG1 803 C CG2 . ILE A 116 ? 0.6545 0.5693 0.3959 -0.0174 0.1094 0.0440 336 ILE A CG2 804 C CD1 . ILE A 116 ? 0.8075 0.7027 0.5873 -0.0203 0.1437 0.0492 336 ILE A CD1 805 N N . SER A 117 ? 0.6604 0.5555 0.3873 -0.0089 0.1395 0.0435 337 SER A N 806 C CA . SER A 117 ? 0.6695 0.5700 0.4104 -0.0117 0.1370 0.0358 337 SER A CA 807 C C . SER A 117 ? 0.7127 0.6113 0.4855 -0.0150 0.1543 0.0343 337 SER A C 808 O O . SER A 117 ? 0.6935 0.5846 0.4738 -0.0152 0.1694 0.0396 337 SER A O 809 C CB . SER A 117 ? 0.6829 0.5755 0.3937 -0.0036 0.1408 0.0355 337 SER A CB 810 O OG . SER A 117 ? 0.6879 0.5674 0.3929 0.0019 0.1641 0.0410 337 SER A OG 811 N N . LYS A 118 ? 0.7422 0.6469 0.5356 -0.0173 0.1535 0.0270 338 LYS A N 812 C CA . LYS A 118 ? 0.8136 0.7180 0.6391 -0.0198 0.1712 0.0246 338 LYS A CA 813 C C . LYS A 118 ? 0.8566 0.7447 0.6641 -0.0137 0.1962 0.0325 338 LYS A C 814 O O . LYS A 118 ? 0.9349 0.8136 0.7033 -0.0058 0.1973 0.0371 338 LYS A O 815 C CB . LYS A 118 ? 0.8123 0.7257 0.6609 -0.0209 0.1672 0.0154 338 LYS A CB 816 C CG . LYS A 118 ? 0.8776 0.7829 0.7064 -0.0143 0.1765 0.0146 338 LYS A CG 817 C CD . LYS A 118 ? 0.9300 0.8453 0.7902 -0.0159 0.1726 0.0052 338 LYS A CD 818 C CE . LYS A 118 ? 0.9018 0.8104 0.7446 -0.0093 0.1778 0.0017 338 LYS A CE 819 N NZ . LYS A 118 ? 0.8919 0.8116 0.7730 -0.0110 0.1741 -0.0072 338 LYS A NZ 820 N N . ALA A 119 ? 0.8638 0.7486 0.6999 -0.0169 0.2163 0.0338 339 ALA A N 821 C CA . ALA A 119 ? 0.9068 0.7749 0.7301 -0.0112 0.2446 0.0423 339 ALA A CA 822 C C . ALA A 119 ? 0.9360 0.7993 0.7310 -0.0025 0.2491 0.0411 339 ALA A C 823 O O . ALA A 119 ? 0.9181 0.7925 0.7269 -0.0043 0.2379 0.0313 339 ALA A O 824 C CB . ALA A 119 ? 0.8711 0.7417 0.7435 -0.0184 0.2643 0.0393 339 ALA A CB 825 N N . LYS A 120 ? 1.0392 0.8849 0.7938 0.0081 0.2655 0.0507 340 LYS A N 826 C CA . LYS A 120 ? 1.0334 0.8738 0.7535 0.0185 0.2673 0.0481 340 LYS A CA 827 C C . LYS A 120 ? 1.0426 0.8787 0.7755 0.0214 0.2924 0.0462 340 LYS A C 828 O O . LYS A 120 ? 1.0517 0.8875 0.7660 0.0281 0.2903 0.0398 340 LYS A O 829 C CB . LYS A 120 ? 1.1321 0.9567 0.7958 0.0317 0.2700 0.0578 340 LYS A CB 830 C CG . LYS A 120 ? 1.2341 1.0612 0.8828 0.0310 0.2498 0.0614 340 LYS A CG 831 C CD . LYS A 120 ? 1.1891 1.0252 0.8133 0.0342 0.2226 0.0527 340 LYS A CD 832 C CE . LYS A 120 ? 1.1741 1.0137 0.7864 0.0339 0.2052 0.0567 340 LYS A CE 833 N NZ . LYS A 120 ? 1.3478 1.2009 0.9542 0.0319 0.1783 0.0461 340 LYS A NZ 834 N N . GLY A 121 ? 1.0540 0.8865 0.8194 0.0167 0.3172 0.0509 341 GLY A N 835 C CA . GLY A 121 ? 1.0889 0.9208 0.8754 0.0181 0.3415 0.0478 341 GLY A CA 836 C C . GLY A 121 ? 1.1201 0.9654 0.9220 0.0182 0.3314 0.0336 341 GLY A C 837 O O . GLY A 121 ? 1.1492 1.0063 0.9531 0.0153 0.3032 0.0248 341 GLY A O 838 N N . GLN A 122 ? 1.2066 1.1969 0.8472 0.0677 0.0460 -0.0829 342 GLN A N 839 C CA . GLN A 122 ? 1.2345 1.2064 0.8794 0.0662 0.0672 -0.0867 342 GLN A CA 840 C C . GLN A 122 ? 1.1748 1.1499 0.8567 0.0584 0.0842 -0.0596 342 GLN A C 841 O O . GLN A 122 ? 1.1423 1.1271 0.8242 0.0642 0.0924 -0.0323 342 GLN A O 842 C CB . GLN A 122 ? 1.2935 1.2513 0.8893 0.0864 0.0811 -0.0883 342 GLN A CB 843 C CG . GLN A 122 ? 1.4326 1.3687 1.0081 0.0899 0.0775 -0.1233 342 GLN A CG 844 C CD . GLN A 122 ? 1.4857 1.4024 1.0971 0.0780 0.0870 -0.1313 342 GLN A CD 845 O OE1 . GLN A 122 ? 1.5252 1.4278 1.1465 0.0651 0.0738 -0.1579 342 GLN A OE1 846 N NE2 . GLN A 122 ? 1.3871 1.3014 1.0184 0.0814 0.1084 -0.1076 342 GLN A NE2 847 N N . PRO A 123 ? 1.2145 1.1796 0.9269 0.0437 0.0878 -0.0665 343 PRO A N 848 C CA . PRO A 123 ? 1.2119 1.1773 0.9570 0.0357 0.0993 -0.0427 343 PRO A CA 849 C C . PRO A 123 ? 1.1570 1.1171 0.8965 0.0518 0.1191 -0.0233 343 PRO A C 850 O O . PRO A 123 ? 1.2023 1.1511 0.9158 0.0664 0.1279 -0.0344 343 PRO A O 851 C CB . PRO A 123 ? 1.1996 1.1447 0.9626 0.0183 0.0988 -0.0576 343 PRO A CB 852 C CG . PRO A 123 ? 1.2622 1.2136 1.0197 0.0086 0.0822 -0.0871 343 PRO A CG 853 C CD . PRO A 123 ? 1.2775 1.2305 0.9960 0.0299 0.0775 -0.0967 343 PRO A CD 854 N N . ARG A 124 ? 1.1107 1.0823 0.8754 0.0498 0.1254 0.0034 344 ARG A N 855 C CA . ARG A 124 ? 1.1152 1.0919 0.8846 0.0642 0.1441 0.0222 344 ARG A CA 856 C C . ARG A 124 ? 1.0736 1.0516 0.8817 0.0588 0.1473 0.0421 344 ARG A C 857 O O . ARG A 124 ? 0.9842 0.9745 0.8114 0.0477 0.1384 0.0571 344 ARG A O 858 C CB . ARG A 124 ? 1.0856 1.0826 0.8361 0.0720 0.1488 0.0376 344 ARG A CB 859 C CG . ARG A 124 ? 1.1740 1.1655 0.8768 0.0847 0.1519 0.0204 344 ARG A CG 860 C CD . ARG A 124 ? 1.3336 1.3380 1.0077 0.0883 0.1517 0.0376 344 ARG A CD 861 N NE . ARG A 124 ? 1.4715 1.4939 1.1645 0.0887 0.1703 0.0680 344 ARG A NE 862 C CZ . ARG A 124 ? 1.5962 1.6280 1.2672 0.0889 0.1766 0.0899 344 ARG A CZ 863 N NH1 . ARG A 124 ? 1.6346 1.6556 1.2566 0.0919 0.1641 0.0867 344 ARG A NH1 864 N NH2 . ARG A 124 ? 1.5502 1.6011 1.2484 0.0851 0.1944 0.1160 344 ARG A NH2 865 N N . GLU A 125 ? 1.0907 1.0535 0.9082 0.0687 0.1576 0.0399 345 GLU A N 866 C CA . GLU A 125 ? 1.0740 1.0322 0.9246 0.0679 0.1577 0.0562 345 GLU A CA 867 C C . GLU A 125 ? 1.0289 1.0195 0.9038 0.0671 0.1596 0.0819 345 GLU A C 868 O O . GLU A 125 ? 1.1187 1.1311 0.9880 0.0752 0.1709 0.0882 345 GLU A O 869 C CB . GLU A 125 ? 1.1898 1.1323 1.0443 0.0883 0.1697 0.0485 345 GLU A CB 870 C CG . GLU A 125 ? 1.2765 1.1833 1.1439 0.0864 0.1611 0.0483 345 GLU A CG 871 C CD . GLU A 125 ? 1.3468 1.2383 1.2237 0.1119 0.1699 0.0412 345 GLU A CD 872 O OE1 . GLU A 125 ? 1.4001 1.3227 1.2891 0.1314 0.1856 0.0430 345 GLU A OE1 873 O OE2 . GLU A 125 ? 1.4195 1.2670 1.2927 0.1124 0.1611 0.0338 345 GLU A OE2 874 N N . PRO A 126 ? 0.9903 0.9828 0.8887 0.0555 0.1480 0.0966 346 PRO A N 875 C CA . PRO A 126 ? 0.9015 0.9230 0.8245 0.0558 0.1495 0.1184 346 PRO A CA 876 C C . PRO A 126 ? 0.9322 0.9643 0.8859 0.0700 0.1594 0.1280 346 PRO A C 877 O O . PRO A 126 ? 0.9642 0.9744 0.9220 0.0774 0.1574 0.1210 346 PRO A O 878 C CB . PRO A 126 ? 0.8436 0.8623 0.7789 0.0398 0.1313 0.1269 346 PRO A CB 879 C CG . PRO A 126 ? 0.9037 0.8928 0.8276 0.0339 0.1255 0.1148 346 PRO A CG 880 C CD . PRO A 126 ? 0.9356 0.9113 0.8325 0.0377 0.1330 0.0936 346 PRO A CD 881 N N . GLN A 127 ? 0.9766 1.0417 0.9534 0.0729 0.1689 0.1440 347 GLN A N 882 C CA . GLN A 127 ? 0.9650 1.0541 0.9847 0.0846 0.1772 0.1546 347 GLN A CA 883 C C . GLN A 127 ? 0.9974 1.0938 1.0492 0.0726 0.1582 0.1717 347 GLN A C 884 O O . GLN A 127 ? 1.0160 1.1194 1.0651 0.0567 0.1498 0.1819 347 GLN A O 885 C CB . GLN A 127 ? 1.0606 1.1878 1.0903 0.0885 0.1999 0.1637 347 GLN A CB 886 C CG . GLN A 127 ? 1.1942 1.3189 1.1843 0.1001 0.2205 0.1481 347 GLN A CG 887 C CD . GLN A 127 ? 1.2387 1.3327 1.2122 0.1159 0.2193 0.1237 347 GLN A CD 888 O OE1 . GLN A 127 ? 1.3138 1.4083 1.3169 0.1315 0.2210 0.1194 347 GLN A OE1 889 N NE2 . GLN A 127 ? 1.2203 1.2853 1.1478 0.1122 0.2138 0.1070 347 GLN A NE2 890 N N . VAL A 128 ? 0.9196 1.0126 1.0001 0.0817 0.1492 0.1743 348 VAL A N 891 C CA . VAL A 128 ? 0.9117 1.0105 1.0204 0.0722 0.1279 0.1890 348 VAL A CA 892 C C . VAL A 128 ? 0.9356 1.0743 1.1008 0.0819 0.1313 0.2002 348 VAL A C 893 O O . VAL A 128 ? 1.0611 1.2072 1.2468 0.1025 0.1396 0.1938 348 VAL A O 894 C CB . VAL A 128 ? 0.9397 0.9987 1.0306 0.0710 0.1075 0.1855 348 VAL A CB 895 C CG1 . VAL A 128 ? 0.8103 0.8737 0.9217 0.0620 0.0837 0.1992 348 VAL A CG1 896 C CG2 . VAL A 128 ? 0.9120 0.9390 0.9535 0.0582 0.1073 0.1727 348 VAL A CG2 897 N N . TYR A 129 ? 0.8739 1.0388 1.0673 0.0673 0.1239 0.2151 349 TYR A N 898 C CA . TYR A 129 ? 0.9283 1.1358 1.1843 0.0718 0.1232 0.2258 349 TYR A CA 899 C C . TYR A 129 ? 0.9869 1.1954 1.2668 0.0589 0.0937 0.2366 349 TYR A C 900 O O . TYR A 129 ? 1.0757 1.2654 1.3302 0.0411 0.0807 0.2398 349 TYR A O 901 C CB . TYR A 129 ? 0.9884 1.2379 1.2664 0.0651 0.1491 0.2342 349 TYR A CB 902 C CG . TYR A 129 ? 1.0757 1.3248 1.3210 0.0764 0.1787 0.2232 349 TYR A CG 903 C CD1 . TYR A 129 ? 1.1002 1.3598 1.3587 0.1017 0.1934 0.2094 349 TYR A CD1 904 C CD2 . TYR A 129 ? 1.1405 1.3762 1.3392 0.0640 0.1894 0.2249 349 TYR A CD2 905 C CE1 . TYR A 129 ? 1.1443 1.4014 1.3681 0.1133 0.2196 0.1959 349 TYR A CE1 906 C CE2 . TYR A 129 ? 1.2267 1.4603 1.3890 0.0751 0.2142 0.2134 349 TYR A CE2 907 C CZ . TYR A 129 ? 1.1948 1.4395 1.3689 0.0993 0.2301 0.1981 349 TYR A CZ 908 O OH . TYR A 129 ? 1.3136 1.5549 1.4479 0.1115 0.2539 0.1835 349 TYR A OH 909 N N . THR A 130 ? 0.9848 1.2166 1.3151 0.0698 0.0816 0.2402 350 THR A N 910 C CA . THR A 130 ? 1.0152 1.2499 1.3702 0.0594 0.0505 0.2486 350 THR A CA 911 C C . THR A 130 ? 1.0481 1.3374 1.4713 0.0500 0.0532 0.2594 350 THR A C 912 O O . THR A 130 ? 1.0214 1.3544 1.4875 0.0590 0.0768 0.2598 350 THR A O 913 C CB . THR A 130 ? 1.0529 1.2677 1.4111 0.0769 0.0250 0.2455 350 THR A CB 914 O OG1 . THR A 130 ? 1.1395 1.3876 1.5480 0.0999 0.0338 0.2424 350 THR A OG1 915 C CG2 . THR A 130 ? 1.0880 1.2462 1.3789 0.0814 0.0234 0.2373 350 THR A CG2 916 N N . LEU A 131 ? 1.0433 1.3305 1.4770 0.0308 0.0291 0.2669 351 LEU A N 917 C CA . LEU A 131 ? 0.9351 1.2664 1.4287 0.0136 0.0296 0.2783 351 LEU A CA 918 C C . LEU A 131 ? 0.9057 1.2433 1.4364 0.0085 -0.0091 0.2801 351 LEU A C 919 O O . LEU A 131 ? 0.8367 1.1341 1.3277 0.0019 -0.0363 0.2769 351 LEU A O 920 C CB . LEU A 131 ? 0.9504 1.2676 1.4154 -0.0104 0.0406 0.2864 351 LEU A CB 921 C CG . LEU A 131 ? 1.0109 1.3215 1.4347 -0.0068 0.0762 0.2854 351 LEU A CG 922 C CD1 . LEU A 131 ? 1.0231 1.3159 1.4197 -0.0296 0.0796 0.2957 351 LEU A CD1 923 C CD2 . LEU A 131 ? 1.0260 1.3869 1.4914 0.0037 0.1089 0.2873 351 LEU A CD2 924 N N . PRO A 132 ? 0.9060 1.2975 1.5142 0.0120 -0.0117 0.2835 352 PRO A N 925 C CA . PRO A 132 ? 0.9596 1.3693 1.6183 0.0070 -0.0497 0.2844 352 PRO A CA 926 C C . PRO A 132 ? 0.9885 1.3868 1.6473 -0.0245 -0.0656 0.2914 352 PRO A C 927 O O . PRO A 132 ? 0.9818 1.3708 1.6184 -0.0421 -0.0424 0.2987 352 PRO A O 928 C CB . PRO A 132 ? 0.8823 1.3650 1.6321 0.0142 -0.0362 0.2860 352 PRO A CB 929 C CG . PRO A 132 ? 0.8724 1.3644 1.6066 0.0345 0.0037 0.2812 352 PRO A CG 930 C CD . PRO A 132 ? 0.8929 1.3372 1.5481 0.0217 0.0241 0.2842 352 PRO A CD 931 N N . PRO A 133 ? 0.9823 1.3769 1.6623 -0.0305 -0.1075 0.2885 353 PRO A N 932 C CA . PRO A 133 ? 0.9639 1.3452 1.6478 -0.0596 -0.1248 0.2926 353 PRO A CA 933 C C . PRO A 133 ? 0.9457 1.3761 1.6980 -0.0829 -0.1022 0.3060 353 PRO A C 934 O O . PRO A 133 ? 0.8748 1.3609 1.6855 -0.0756 -0.0809 0.3092 353 PRO A O 935 C CB . PRO A 133 ? 0.9193 1.3007 1.6280 -0.0579 -0.1737 0.2847 353 PRO A CB 936 C CG . PRO A 133 ? 0.9260 1.3047 1.6204 -0.0269 -0.1836 0.2778 353 PRO A CG 937 C CD . PRO A 133 ? 0.9226 1.3276 1.6296 -0.0111 -0.1420 0.2814 353 PRO A CD 938 N N . CYS A 134 ? 1.0254 1.4339 1.7691 -0.1108 -0.1064 0.3135 354 CYS A N 939 C CA . CYS A 134 ? 1.1503 1.5963 1.9555 -0.1405 -0.0901 0.3295 354 CYS A CA 940 C C . CYS A 134 ? 1.1939 1.6973 2.0927 -0.1460 -0.1124 0.3273 354 CYS A C 941 O O . CYS A 134 ? 1.2234 1.7131 2.1265 -0.1391 -0.1561 0.3148 354 CYS A O 942 C CB . CYS A 134 ? 1.3176 1.7132 2.0922 -0.1665 -0.1087 0.3342 354 CYS A CB 943 S SG . CYS A 134 ? 1.5059 1.9122 2.3157 -0.2083 -0.0846 0.3599 354 CYS A SG 944 N N . ARG A 135 ? 1.1662 1.7366 2.1403 -0.1579 -0.0833 0.3380 355 ARG A N 945 C CA . ARG A 135 ? 1.1938 1.8291 2.2684 -0.1629 -0.1040 0.3338 355 ARG A CA 946 C C . ARG A 135 ? 1.2463 1.8641 2.3497 -0.1919 -0.1493 0.3330 355 ARG A C 947 O O . ARG A 135 ? 1.2770 1.9282 2.4429 -0.1892 -0.1855 0.3224 355 ARG A O 948 C CB . ARG A 135 ? 1.2278 1.9456 2.3840 -0.1746 -0.0604 0.3447 355 ARG A CB 949 C CG . ARG A 135 ? 1.2771 2.0728 2.5363 -0.1618 -0.0783 0.3328 355 ARG A CG 950 C CD . ARG A 135 ? 1.2437 2.1262 2.5744 -0.1573 -0.0296 0.3359 355 ARG A CD 951 N NE . ARG A 135 ? 1.2507 2.1825 2.6482 -0.2032 -0.0035 0.3539 355 ARG A NE 952 C CZ . ARG A 135 ? 1.2094 2.2228 2.6729 -0.2104 0.0449 0.3597 355 ARG A CZ 953 N NH1 . ARG A 135 ? 1.1995 2.2547 2.6731 -0.1709 0.0709 0.3459 355 ARG A NH1 954 N NH2 . ARG A 135 ? 1.1872 2.2390 2.7054 -0.2578 0.0681 0.3792 355 ARG A NH2 955 N N . ASP A 136 ? 1.3132 1.8744 2.3678 -0.2170 -0.1510 0.3420 356 ASP A N 956 C CA . ASP A 136 ? 1.3733 1.9114 2.4539 -0.2476 -0.1914 0.3413 356 ASP A CA 957 C C . ASP A 136 ? 1.4228 1.8962 2.4421 -0.2336 -0.2414 0.3215 356 ASP A C 958 O O . ASP A 136 ? 1.3493 1.8087 2.3960 -0.2534 -0.2819 0.3147 356 ASP A O 959 C CB . ASP A 136 ? 1.3728 1.8849 2.4443 -0.2853 -0.1690 0.3628 356 ASP A CB 960 C CG . ASP A 136 ? 1.3576 1.9351 2.4868 -0.3037 -0.1181 0.3838 356 ASP A CG 961 O OD1 . ASP A 136 ? 1.2846 1.8923 2.4850 -0.3431 -0.1173 0.3977 356 ASP A OD1 962 O OD2 . ASP A 136 ? 1.3400 1.9399 2.4439 -0.2791 -0.0790 0.3851 356 ASP A OD2 963 N N . GLU A 137 ? 1.5784 2.0131 2.5148 -0.2012 -0.2377 0.3114 357 GLU A N 964 C CA . GLU A 137 ? 1.7014 2.0843 2.5781 -0.1845 -0.2804 0.2913 357 GLU A CA 965 C C . GLU A 137 ? 1.7565 2.1694 2.6582 -0.1596 -0.3091 0.2786 357 GLU A C 966 O O . GLU A 137 ? 1.8117 2.1871 2.6652 -0.1456 -0.3460 0.2628 357 GLU A O 967 C CB . GLU A 137 ? 1.6982 2.0232 2.4720 -0.1659 -0.2635 0.2866 357 GLU A CB 968 C CG . GLU A 137 ? 1.6811 1.9707 2.4215 -0.1847 -0.2399 0.2977 357 GLU A CG 969 C CD . GLU A 137 ? 1.6262 1.8721 2.3629 -0.2080 -0.2738 0.2925 357 GLU A CD 970 O OE1 . GLU A 137 ? 1.4549 1.7091 2.2352 -0.2183 -0.3130 0.2831 357 GLU A OE1 971 O OE2 . GLU A 137 ? 1.4539 1.6549 2.1435 -0.2147 -0.2628 0.2967 357 GLU A OE2 972 N N . LEU A 138 ? 1.7564 2.2368 2.7322 -0.1533 -0.2924 0.2851 358 LEU A N 973 C CA . LEU A 138 ? 1.7266 2.2407 2.7361 -0.1263 -0.3193 0.2747 358 LEU A CA 974 C C . LEU A 138 ? 1.7555 2.2699 2.7971 -0.1331 -0.3790 0.2612 358 LEU A C 975 O O . LEU A 138 ? 1.6993 2.2330 2.7593 -0.1093 -0.4098 0.2519 358 LEU A O 976 C CB . LEU A 138 ? 1.6764 2.2714 2.7749 -0.1199 -0.2895 0.2820 358 LEU A CB 977 C CG . LEU A 138 ? 1.6688 2.2716 2.7376 -0.0896 -0.2478 0.2851 358 LEU A CG 978 C CD1 . LEU A 138 ? 1.5397 2.2280 2.7043 -0.0905 -0.2133 0.2908 358 LEU A CD1 979 C CD2 . LEU A 138 ? 1.6833 2.2559 2.7027 -0.0507 -0.2747 0.2737 358 LEU A CD2 980 N N . THR A 139 ? 1.8057 2.2949 2.8513 -0.1645 -0.3975 0.2596 359 THR A N 981 C CA . THR A 139 ? 1.7470 2.2267 2.8139 -0.1738 -0.4568 0.2435 359 THR A CA 982 C C . THR A 139 ? 1.8933 2.2941 2.8531 -0.1613 -0.4869 0.2273 359 THR A C 983 O O . THR A 139 ? 1.8568 2.2461 2.7853 -0.1378 -0.5231 0.2140 359 THR A O 984 C CB . THR A 139 ? 1.5329 2.0354 2.6812 -0.2177 -0.4657 0.2484 359 THR A CB 985 O OG1 . THR A 139 ? 1.4027 1.8641 2.5113 -0.2397 -0.4322 0.2614 359 THR A OG1 986 C CG2 . THR A 139 ? 1.3892 1.9843 2.6587 -0.2296 -0.4493 0.2584 359 THR A CG2 987 N N . LYS A 140 ? 1.9262 2.2741 2.8292 -0.1757 -0.4723 0.2280 360 LYS A N 988 C CA . LYS A 140 ? 1.8895 2.1684 2.6921 -0.1629 -0.4937 0.2102 360 LYS A CA 989 C C . LYS A 140 ? 1.8736 2.1411 2.6083 -0.1271 -0.4925 0.2054 360 LYS A C 990 O O . LYS A 140 ? 1.9855 2.2708 2.7144 -0.1127 -0.4543 0.2186 360 LYS A O 991 C CB . LYS A 140 ? 1.7662 1.9993 2.5173 -0.1743 -0.4638 0.2144 360 LYS A CB 992 C CG . LYS A 140 ? 1.7108 1.8814 2.3627 -0.1588 -0.4790 0.1940 360 LYS A CG 993 C CD . LYS A 140 ? 1.7235 1.8485 2.3517 -0.1760 -0.4755 0.1898 360 LYS A CD 994 C CE . LYS A 140 ? 1.6241 1.7300 2.1978 -0.1662 -0.4298 0.1986 360 LYS A CE 995 N NZ . LYS A 140 ? 1.5131 1.6419 2.1342 -0.1848 -0.3929 0.2246 360 LYS A NZ 996 N N . ASN A 141 ? 1.8243 2.0597 2.5055 -0.1137 -0.5343 0.1870 361 ASN A N 997 C CA . ASN A 141 ? 1.7009 1.9249 2.3216 -0.0824 -0.5413 0.1851 361 ASN A CA 998 C C . ASN A 141 ? 1.5720 1.7545 2.0953 -0.0670 -0.5054 0.1872 361 ASN A C 999 O O . ASN A 141 ? 1.4843 1.6395 1.9363 -0.0469 -0.5159 0.1828 361 ASN A O 1000 C CB . ASN A 141 ? 1.6997 1.9093 2.2994 -0.0735 -0.6005 0.1675 361 ASN A CB 1001 C CG . ASN A 141 ? 1.7285 1.8998 2.2981 -0.0895 -0.6296 0.1462 361 ASN A CG 1002 O OD1 . ASN A 141 ? 1.6382 1.7743 2.1601 -0.0966 -0.6059 0.1413 361 ASN A OD1 1003 N ND2 . ASN A 141 ? 1.7229 1.9005 2.3216 -0.0935 -0.6839 0.1311 361 ASN A ND2 1004 N N . GLN A 142 ? 1.4806 1.6588 2.0027 -0.0785 -0.4639 0.1946 362 GLN A N 1005 C CA . GLN A 142 ? 1.3917 1.5513 1.8535 -0.0658 -0.4217 0.2013 362 GLN A CA 1006 C C . GLN A 142 ? 1.2543 1.4423 1.7629 -0.0749 -0.3771 0.2182 362 GLN A C 1007 O O . GLN A 142 ? 1.1792 1.3774 1.7325 -0.0966 -0.3719 0.2222 362 GLN A O 1008 C CB . GLN A 142 ? 1.4980 1.6073 1.8709 -0.0643 -0.4204 0.1852 362 GLN A CB 1009 C CG . GLN A 142 ? 1.7074 1.7919 2.0032 -0.0442 -0.4284 0.1801 362 GLN A CG 1010 C CD . GLN A 142 ? 1.7745 1.8255 2.0096 -0.0425 -0.4636 0.1584 362 GLN A CD 1011 O OE1 . GLN A 142 ? 1.7562 1.7825 1.9164 -0.0297 -0.4656 0.1544 362 GLN A OE1 1012 N NE2 . GLN A 142 ? 1.7959 1.8438 2.0602 -0.0561 -0.4913 0.1440 362 GLN A NE2 1013 N N . VAL A 143 ? 1.2175 1.4161 1.7140 -0.0582 -0.3469 0.2283 363 VAL A N 1014 C CA . VAL A 143 ? 1.1170 1.3444 1.6503 -0.0618 -0.3032 0.2428 363 VAL A CA 1015 C C . VAL A 143 ? 1.1278 1.3250 1.5924 -0.0541 -0.2666 0.2432 363 VAL A C 1016 O O . VAL A 143 ? 1.1962 1.3549 1.5885 -0.0452 -0.2719 0.2333 363 VAL A O 1017 C CB . VAL A 143 ? 1.0492 1.3270 1.6487 -0.0488 -0.2967 0.2524 363 VAL A CB 1018 C CG1 . VAL A 143 ? 1.0420 1.3637 1.7295 -0.0622 -0.3260 0.2526 363 VAL A CG1 1019 C CG2 . VAL A 143 ? 1.0289 1.2890 1.5857 -0.0206 -0.3077 0.2498 363 VAL A CG2 1020 N N . SER A 144 ? 1.0652 1.2828 1.5533 -0.0585 -0.2289 0.2542 364 SER A N 1021 C CA . SER A 144 ? 0.9654 1.1569 1.3959 -0.0548 -0.1970 0.2533 364 SER A CA 1022 C C . SER A 144 ? 0.9787 1.1915 1.4185 -0.0423 -0.1604 0.2618 364 SER A C 1023 O O . SER A 144 ? 1.0581 1.3102 1.5539 -0.0472 -0.1410 0.2724 364 SER A O 1024 C CB . SER A 144 ? 0.9610 1.1386 1.3876 -0.0743 -0.1904 0.2542 364 SER A CB 1025 O OG . SER A 144 ? 0.9463 1.0876 1.3328 -0.0778 -0.2183 0.2390 364 SER A OG 1026 N N . LEU A 145 ? 0.9068 1.0922 1.2888 -0.0273 -0.1501 0.2560 365 LEU A N 1027 C CA . LEU A 145 ? 0.9233 1.1192 1.3053 -0.0128 -0.1206 0.2600 365 LEU A CA 1028 C C . LEU A 145 ? 0.9975 1.1728 1.3334 -0.0175 -0.0923 0.2569 365 LEU A C 1029 O O . LEU A 145 ? 0.9950 1.1371 1.2783 -0.0221 -0.0987 0.2476 365 LEU A O 1030 C CB . LEU A 145 ? 0.9830 1.1578 1.3350 0.0065 -0.1336 0.2565 365 LEU A CB 1031 C CG . LEU A 145 ? 0.9484 1.1465 1.3507 0.0145 -0.1657 0.2597 365 LEU A CG 1032 C CD1 . LEU A 145 ? 0.9416 1.1034 1.2961 0.0299 -0.1899 0.2575 365 LEU A CD1 1033 C CD2 . LEU A 145 ? 0.9624 1.2090 1.4348 0.0252 -0.1483 0.2656 365 LEU A CD2 1034 N N . TRP A 146 ? 0.9541 1.1522 1.3103 -0.0151 -0.0612 0.2631 366 TRP A N 1035 C CA . TRP A 146 ? 0.9706 1.1542 1.2901 -0.0208 -0.0368 0.2615 366 TRP A CA 1036 C C . TRP A 146 ? 0.9723 1.1515 1.2662 -0.0054 -0.0097 0.2570 366 TRP A C 1037 O O . TRP A 146 ? 1.0810 1.2881 1.4087 0.0056 0.0064 0.2609 366 TRP A O 1038 C CB . TRP A 146 ? 1.0333 1.2420 1.3897 -0.0368 -0.0242 0.2741 366 TRP A CB 1039 C CG . TRP A 146 ? 1.0522 1.2507 1.4207 -0.0555 -0.0501 0.2767 366 TRP A CG 1040 C CD1 . TRP A 146 ? 1.0719 1.2919 1.4947 -0.0658 -0.0722 0.2823 366 TRP A CD1 1041 C CD2 . TRP A 146 ? 1.0853 1.2479 1.4126 -0.0649 -0.0600 0.2712 366 TRP A CD2 1042 N NE1 . TRP A 146 ? 1.1641 1.3594 1.5793 -0.0823 -0.0950 0.2807 366 TRP A NE1 1043 C CE2 . TRP A 146 ? 1.1430 1.3025 1.4998 -0.0804 -0.0879 0.2737 366 TRP A CE2 1044 C CE3 . TRP A 146 ? 1.0940 1.2280 1.3657 -0.0605 -0.0497 0.2624 366 TRP A CE3 1045 C CZ2 . TRP A 146 ? 1.1874 1.3119 1.5174 -0.0898 -0.1056 0.2675 366 TRP A CZ2 1046 C CZ3 . TRP A 146 ? 1.0851 1.1896 1.3335 -0.0687 -0.0675 0.2562 366 TRP A CZ3 1047 C CH2 . TRP A 146 ? 1.1429 1.2409 1.4191 -0.0822 -0.0949 0.2585 366 TRP A CH2 1048 N N . CYS A 147 ? 0.8945 1.0411 1.1318 -0.0048 -0.0045 0.2468 367 CYS A N 1049 C CA . CYS A 147 ? 0.9790 1.1162 1.1880 0.0069 0.0194 0.2401 367 CYS A CA 1050 C C . CYS A 147 ? 1.0733 1.2109 1.2616 0.0009 0.0399 0.2388 367 CYS A C 1051 O O . CYS A 147 ? 1.1003 1.2195 1.2592 -0.0085 0.0320 0.2335 367 CYS A O 1052 C CB . CYS A 147 ? 0.9525 1.0538 1.1134 0.0097 0.0111 0.2288 367 CYS A CB 1053 S SG . CYS A 147 ? 1.0897 1.1741 1.2258 0.0248 0.0329 0.2207 367 CYS A SG 1054 N N . LEU A 148 ? 1.0172 1.1759 1.2192 0.0079 0.0651 0.2427 368 LEU A N 1055 C CA . LEU A 148 ? 0.9629 1.1176 1.1347 0.0046 0.0840 0.2416 368 LEU A CA 1056 C C . LEU A 148 ? 0.9837 1.1197 1.1166 0.0174 0.0972 0.2258 368 LEU A C 1057 O O . LEU A 148 ? 1.0219 1.1640 1.1653 0.0320 0.1084 0.2213 368 LEU A O 1058 C CB . LEU A 148 ? 1.0466 1.2347 1.2470 0.0015 0.1062 0.2557 368 LEU A CB 1059 C CG . LEU A 148 ? 1.2500 1.4298 1.4163 -0.0076 0.1187 0.2617 368 LEU A CG 1060 C CD1 . LEU A 148 ? 1.2600 1.4738 1.4512 -0.0137 0.1445 0.2789 368 LEU A CD1 1061 C CD2 . LEU A 148 ? 1.3110 1.4670 1.4221 0.0031 0.1278 0.2456 368 LEU A CD2 1062 N N . VAL A 149 ? 0.8962 1.0093 0.9868 0.0125 0.0940 0.2159 369 VAL A N 1063 C CA . VAL A 149 ? 0.8454 0.9402 0.8991 0.0204 0.1040 0.1990 369 VAL A CA 1064 C C . VAL A 149 ? 0.8505 0.9451 0.8751 0.0193 0.1147 0.1965 369 VAL A C 1065 O O . VAL A 149 ? 0.8472 0.9364 0.8611 0.0101 0.1029 0.1998 369 VAL A O 1066 C CB . VAL A 149 ? 0.7867 0.8569 0.8177 0.0140 0.0872 0.1866 369 VAL A CB 1067 C CG1 . VAL A 149 ? 0.7717 0.8220 0.7708 0.0184 0.0960 0.1687 369 VAL A CG1 1068 C CG2 . VAL A 149 ? 0.7120 0.7796 0.7642 0.0134 0.0731 0.1933 369 VAL A CG2 1069 N N . LYS A 150 ? 0.8577 0.9549 0.8659 0.0304 0.1347 0.1896 370 LYS A N 1070 C CA . LYS A 150 ? 0.9124 1.0084 0.8870 0.0303 0.1433 0.1890 370 LYS A CA 1071 C C . LYS A 150 ? 0.9539 1.0397 0.8922 0.0425 0.1567 0.1699 370 LYS A C 1072 O O . LYS A 150 ? 0.9509 1.0303 0.8931 0.0521 0.1629 0.1571 370 LYS A O 1073 C CB . LYS A 150 ? 0.9057 1.0253 0.8971 0.0263 0.1574 0.2109 370 LYS A CB 1074 C CG . LYS A 150 ? 0.9673 1.1150 0.9859 0.0369 0.1821 0.2141 370 LYS A CG 1075 C CD . LYS A 150 ? 1.0457 1.2196 1.0698 0.0303 0.2031 0.2340 370 LYS A CD 1076 C CE . LYS A 150 ? 1.1271 1.3096 1.1176 0.0445 0.2315 0.2248 370 LYS A CE 1077 N NZ . LYS A 150 ? 1.2313 1.4284 1.2478 0.0639 0.2436 0.2082 370 LYS A NZ 1078 N N . GLY A 151 ? 0.8935 0.9738 0.7943 0.0425 0.1581 0.1678 371 GLY A N 1079 C CA . GLY A 151 ? 0.9148 0.9861 0.7771 0.0540 0.1686 0.1491 371 GLY A CA 1080 C C . GLY A 151 ? 0.9950 1.0449 0.8420 0.0534 0.1537 0.1241 371 GLY A C 1081 O O . GLY A 151 ? 1.1019 1.1413 0.9230 0.0625 0.1602 0.1046 371 GLY A O 1082 N N . PHE A 152 ? 0.9465 0.9909 0.8086 0.0419 0.1343 0.1230 372 PHE A N 1083 C CA . PHE A 152 ? 0.8731 0.9027 0.7273 0.0372 0.1238 0.1001 372 PHE A CA 1084 C C . PHE A 152 ? 0.9237 0.9515 0.7528 0.0350 0.1091 0.0846 372 PHE A C 1085 O O . PHE A 152 ? 0.9483 0.9816 0.7701 0.0353 0.0995 0.0944 372 PHE A O 1086 C CB . PHE A 152 ? 0.8371 0.8631 0.7184 0.0262 0.1150 0.1029 372 PHE A CB 1087 C CG . PHE A 152 ? 0.8036 0.8401 0.7023 0.0181 0.1015 0.1165 372 PHE A CG 1088 C CD1 . PHE A 152 ? 0.8115 0.8571 0.7362 0.0181 0.1031 0.1378 372 PHE A CD1 1089 C CD2 . PHE A 152 ? 0.8165 0.8549 0.7095 0.0110 0.0856 0.1050 372 PHE A CD2 1090 C CE1 . PHE A 152 ? 0.7985 0.8493 0.7385 0.0102 0.0878 0.1476 372 PHE A CE1 1091 C CE2 . PHE A 152 ? 0.7311 0.7757 0.6387 0.0061 0.0716 0.1138 372 PHE A CE2 1092 C CZ . PHE A 152 ? 0.7339 0.7819 0.6628 0.0051 0.0721 0.1352 372 PHE A CZ 1093 N N . TYR A 153 ? 0.9012 0.9196 0.7188 0.0329 0.1057 0.0601 373 TYR A N 1094 C CA . TYR A 153 ? 0.8683 0.8904 0.6713 0.0304 0.0890 0.0404 373 TYR A CA 1095 C C . TYR A 153 ? 0.8794 0.8949 0.6879 0.0200 0.0868 0.0156 373 TYR A C 1096 O O . TYR A 153 ? 0.9411 0.9399 0.7393 0.0230 0.0974 0.0070 373 TYR A O 1097 C CB . TYR A 153 ? 0.8575 0.8762 0.6228 0.0436 0.0887 0.0354 373 TYR A CB 1098 C CG . TYR A 153 ? 0.8520 0.8761 0.6044 0.0440 0.0659 0.0157 373 TYR A CG 1099 C CD1 . TYR A 153 ? 0.8614 0.8894 0.6036 0.0498 0.0499 0.0266 373 TYR A CD1 1100 C CD2 . TYR A 153 ? 0.8470 0.8714 0.5992 0.0391 0.0582 -0.0141 373 TYR A CD2 1101 C CE1 . TYR A 153 ? 0.8408 0.8746 0.5737 0.0543 0.0252 0.0073 373 TYR A CE1 1102 C CE2 . TYR A 153 ? 0.8731 0.9091 0.6201 0.0410 0.0350 -0.0344 373 TYR A CE2 1103 C CZ . TYR A 153 ? 0.8642 0.9059 0.6023 0.0505 0.0178 -0.0241 373 TYR A CZ 1104 O OH . TYR A 153 ? 0.8877 0.9424 0.6252 0.0558 -0.0089 -0.0458 373 TYR A OH 1105 N N . PRO A 154 ? 0.8007 0.8294 0.6252 0.0077 0.0735 0.0021 374 PRO A N 1106 C CA . PRO A 154 ? 0.7618 0.8098 0.5957 0.0087 0.0572 0.0032 374 PRO A CA 1107 C C . PRO A 154 ? 0.7428 0.7921 0.5946 0.0059 0.0602 0.0264 374 PRO A C 1108 O O . PRO A 154 ? 0.7284 0.7661 0.5858 0.0037 0.0741 0.0411 374 PRO A O 1109 C CB . PRO A 154 ? 0.7296 0.7951 0.5823 -0.0051 0.0488 -0.0229 374 PRO A CB 1110 C CG . PRO A 154 ? 0.7118 0.7637 0.5594 -0.0148 0.0585 -0.0379 374 PRO A CG 1111 C CD . PRO A 154 ? 0.7793 0.8048 0.6161 -0.0094 0.0750 -0.0169 374 PRO A CD 1112 N N . SER A 155 ? 0.7257 0.7871 0.5868 0.0081 0.0448 0.0285 375 SER A N 1113 C CA . SER A 155 ? 0.7181 0.7795 0.5967 0.0051 0.0434 0.0480 375 SER A CA 1114 C C . SER A 155 ? 0.7102 0.7773 0.6067 -0.0087 0.0477 0.0428 375 SER A C 1115 O O . SER A 155 ? 0.7999 0.8643 0.7071 -0.0109 0.0467 0.0582 375 SER A O 1116 C CB . SER A 155 ? 0.7066 0.7725 0.5880 0.0124 0.0232 0.0500 375 SER A CB 1117 O OG . SER A 155 ? 0.6673 0.7522 0.5607 0.0111 0.0100 0.0238 375 SER A OG 1118 N N . ASP A 156 ? 0.7952 0.8704 0.6937 -0.0194 0.0516 0.0213 376 ASP A N 1119 C CA . ASP A 156 ? 0.7630 0.8413 0.6711 -0.0362 0.0590 0.0182 376 ASP A CA 1120 C C . ASP A 156 ? 0.7692 0.8228 0.6724 -0.0388 0.0700 0.0405 376 ASP A C 1121 O O . ASP A 156 ? 0.7612 0.7962 0.6552 -0.0368 0.0794 0.0432 376 ASP A O 1122 C CB . ASP A 156 ? 0.7930 0.8808 0.7032 -0.0511 0.0652 -0.0053 376 ASP A CB 1123 C CG . ASP A 156 ? 0.9510 1.0752 0.8788 -0.0546 0.0560 -0.0305 376 ASP A CG 1124 O OD1 . ASP A 156 ? 1.0606 1.2002 0.9972 -0.0693 0.0613 -0.0520 376 ASP A OD1 1125 O OD2 . ASP A 156 ? 0.9099 1.0480 0.8459 -0.0435 0.0433 -0.0305 376 ASP A OD2 1126 N N . ILE A 157 ? 0.7466 0.7988 0.6559 -0.0405 0.0666 0.0552 377 ILE A N 1127 C CA . ILE A 157 ? 0.7383 0.7687 0.6459 -0.0402 0.0727 0.0759 377 ILE A CA 1128 C C . ILE A 157 ? 0.7598 0.7876 0.6673 -0.0486 0.0679 0.0846 377 ILE A C 1129 O O . ILE A 157 ? 0.8146 0.8597 0.7245 -0.0524 0.0603 0.0751 377 ILE A O 1130 C CB . ILE A 157 ? 0.7468 0.7766 0.6631 -0.0249 0.0711 0.0923 377 ILE A CB 1131 C CG1 . ILE A 157 ? 0.8150 0.8283 0.7368 -0.0203 0.0774 0.1100 377 ILE A CG1 1132 C CG2 . ILE A 157 ? 0.7523 0.7953 0.6803 -0.0219 0.0572 0.0986 377 ILE A CG2 1133 C CD1 . ILE A 157 ? 0.7839 0.8033 0.7154 -0.0060 0.0834 0.1210 377 ILE A CD1 1134 N N . ALA A 158 ? 0.7591 0.7646 0.6618 -0.0494 0.0702 0.1011 378 ALA A N 1135 C CA . ALA A 158 ? 0.7408 0.7406 0.6361 -0.0563 0.0625 0.1105 378 ALA A CA 1136 C C . ALA A 158 ? 0.7467 0.7309 0.6502 -0.0461 0.0553 0.1324 378 ALA A C 1137 O O . ALA A 158 ? 0.8404 0.8039 0.7426 -0.0408 0.0610 0.1403 378 ALA A O 1138 C CB . ALA A 158 ? 0.6781 0.6657 0.5488 -0.0751 0.0712 0.1041 378 ALA A CB 1139 N N . VAL A 159 ? 0.7469 0.7415 0.6621 -0.0422 0.0409 0.1402 379 VAL A N 1140 C CA . VAL A 159 ? 0.7997 0.7882 0.7328 -0.0319 0.0308 0.1592 379 VAL A CA 1141 C C . VAL A 159 ? 0.8667 0.8450 0.7872 -0.0358 0.0140 0.1672 379 VAL A C 1142 O O . VAL A 159 ? 0.8755 0.8626 0.7851 -0.0428 0.0061 0.1584 379 VAL A O 1143 C CB . VAL A 159 ? 0.7995 0.8107 0.7652 -0.0236 0.0257 0.1640 379 VAL A CB 1144 C CG1 . VAL A 159 ? 0.8606 0.8757 0.8561 -0.0143 0.0170 0.1818 379 VAL A CG1 1145 C CG2 . VAL A 159 ? 0.7999 0.8191 0.7685 -0.0192 0.0409 0.1572 379 VAL A CG2 1146 N N . GLU A 160 ? 0.8999 0.8593 0.8205 -0.0291 0.0067 0.1823 380 GLU A N 1147 C CA . GLU A 160 ? 1.0349 0.9817 0.9379 -0.0313 -0.0124 0.1905 380 GLU A CA 1148 C C . GLU A 160 ? 1.0953 1.0408 1.0278 -0.0161 -0.0279 0.2062 380 GLU A C 1149 O O . GLU A 160 ? 1.0867 1.0351 1.0457 -0.0044 -0.0192 0.2107 380 GLU A O 1150 C CB . GLU A 160 ? 1.1531 1.0658 1.0069 -0.0424 -0.0077 0.1933 380 GLU A CB 1151 C CG . GLU A 160 ? 1.3062 1.2244 1.1286 -0.0611 0.0068 0.1773 380 GLU A CG 1152 C CD . GLU A 160 ? 1.4335 1.3172 1.2052 -0.0764 0.0128 0.1845 380 GLU A CD 1153 O OE1 . GLU A 160 ? 1.3746 1.2273 1.1268 -0.0709 -0.0026 0.2029 380 GLU A OE1 1154 O OE2 . GLU A 160 ? 1.3869 1.2751 1.1391 -0.0944 0.0320 0.1720 380 GLU A OE2 1155 N N . TRP A 161 ? 1.0438 0.9862 0.9707 -0.0155 -0.0514 0.2123 381 TRP A N 1156 C CA . TRP A 161 ? 1.0720 1.0130 1.0250 -0.0011 -0.0718 0.2262 381 TRP A CA 1157 C C . TRP A 161 ? 1.1409 1.0425 1.0496 0.0007 -0.0878 0.2370 381 TRP A C 1158 O O . TRP A 161 ? 1.1670 1.0478 1.0223 -0.0128 -0.0877 0.2344 381 TRP A O 1159 C CB . TRP A 161 ? 1.1426 1.1112 1.1290 -0.0011 -0.0925 0.2251 381 TRP A CB 1160 C CG . TRP A 161 ? 1.1454 1.1495 1.1862 0.0004 -0.0827 0.2234 381 TRP A CG 1161 C CD1 . TRP A 161 ? 1.0372 1.0563 1.0836 -0.0095 -0.0757 0.2139 381 TRP A CD1 1162 C CD2 . TRP A 161 ? 1.0930 1.1214 1.1886 0.0121 -0.0798 0.2323 381 TRP A CD2 1163 N NE1 . TRP A 161 ? 1.0212 1.0672 1.1163 -0.0070 -0.0682 0.2195 381 TRP A NE1 1164 C CE2 . TRP A 161 ? 0.9933 1.0497 1.1211 0.0053 -0.0684 0.2301 381 TRP A CE2 1165 C CE3 . TRP A 161 ? 1.1202 1.1500 1.2410 0.0287 -0.0857 0.2412 381 TRP A CE3 1166 C CZ2 . TRP A 161 ? 1.0086 1.0973 1.1906 0.0110 -0.0588 0.2376 381 TRP A CZ2 1167 C CZ3 . TRP A 161 ? 1.1660 1.2329 1.3471 0.0376 -0.0766 0.2451 381 TRP A CZ3 1168 C CH2 . TRP A 161 ? 1.0897 1.1873 1.2999 0.0270 -0.0613 0.2438 381 TRP A CH2 1169 N N . GLU A 162 ? 1.1361 1.0280 1.0660 0.0182 -0.1021 0.2492 382 GLU A N 1170 C CA . GLU A 162 ? 1.2319 1.0826 1.1188 0.0226 -0.1237 0.2620 382 GLU A CA 1171 C C . GLU A 162 ? 1.2903 1.1420 1.2150 0.0465 -0.1507 0.2731 382 GLU A C 1172 O O . GLU A 162 ? 1.2686 1.1474 1.2519 0.0615 -0.1443 0.2712 382 GLU A O 1173 C CB . GLU A 162 ? 1.3181 1.1226 1.1536 0.0145 -0.1057 0.2663 382 GLU A CB 1174 C CG . GLU A 162 ? 1.3117 1.1167 1.1760 0.0224 -0.0831 0.2616 382 GLU A CG 1175 C CD . GLU A 162 ? 1.4607 1.2346 1.2770 0.0024 -0.0591 0.2572 382 GLU A CD 1176 O OE1 . GLU A 162 ? 1.3180 1.1208 1.1389 -0.0122 -0.0392 0.2423 382 GLU A OE1 1177 O OE2 . GLU A 162 ? 1.5701 1.2899 1.3437 0.0000 -0.0626 0.2690 382 GLU A OE2 1178 N N . SER A 163 ? 1.3404 1.1634 1.2292 0.0507 -0.1811 0.2838 383 SER A N 1179 C CA . SER A 163 ? 1.4052 1.2292 1.3280 0.0748 -0.2135 0.2931 383 SER A CA 1180 C C . SER A 163 ? 1.6358 1.3939 1.4937 0.0809 -0.2274 0.3090 383 SER A C 1181 O O . SER A 163 ? 1.8200 1.5407 1.6031 0.0615 -0.2216 0.3138 383 SER A O 1182 C CB . SER A 163 ? 1.3527 1.2031 1.2912 0.0740 -0.2453 0.2906 383 SER A CB 1183 O OG . SER A 163 ? 1.3885 1.2602 1.3864 0.0979 -0.2747 0.2951 383 SER A OG 1184 N N . ASN A 164 ? 1.7069 1.4500 1.5923 0.1076 -0.2449 0.3171 384 ASN A N 1185 C CA . ASN A 164 ? 1.8180 1.4880 1.6409 0.1158 -0.2609 0.3347 384 ASN A CA 1186 C C . ASN A 164 ? 1.8566 1.4776 1.5901 0.0850 -0.2385 0.3411 384 ASN A C 1187 O O . ASN A 164 ? 1.8217 1.4164 1.4902 0.0719 -0.2531 0.3505 384 ASN A O 1188 C CB . ASN A 164 ? 1.9334 1.5851 1.7431 0.1348 -0.3111 0.3475 384 ASN A CB 1189 C CG . ASN A 164 ? 1.8891 1.6014 1.7953 0.1616 -0.3351 0.3387 384 ASN A CG 1190 O OD1 . ASN A 164 ? 1.8444 1.5523 1.7915 0.1916 -0.3509 0.3412 384 ASN A OD1 1191 N ND2 . ASN A 164 ? 1.8000 1.5692 1.7444 0.1507 -0.3392 0.3276 384 ASN A ND2 1192 N N . GLY A 165 ? 1.8922 1.5069 1.6250 0.0724 -0.2019 0.3338 385 GLY A N 1193 C CA . GLY A 165 ? 1.9070 1.4779 1.5659 0.0424 -0.1781 0.3390 385 GLY A CA 1194 C C . GLY A 165 ? 1.8676 1.4701 1.4998 0.0142 -0.1604 0.3286 385 GLY A C 1195 O O . GLY A 165 ? 1.9244 1.5298 1.5393 -0.0094 -0.1277 0.3195 385 GLY A O 1196 N N . GLN A 166 ? 1.7694 1.3969 1.4016 0.0181 -0.1840 0.3274 386 GLN A N 1197 C CA . GLN A 166 ? 1.7339 1.3890 1.3385 -0.0038 -0.1732 0.3152 386 GLN A CA 1198 C C . GLN A 166 ? 1.6367 1.3531 1.2997 -0.0094 -0.1504 0.2920 386 GLN A C 1199 O O . GLN A 166 ? 1.5273 1.2788 1.2607 0.0069 -0.1549 0.2861 386 GLN A O 1200 C CB . GLN A 166 ? 1.8595 1.5155 1.4412 0.0040 -0.2100 0.3195 386 GLN A CB 1201 C CG . GLN A 166 ? 2.0636 1.6535 1.5627 0.0040 -0.2317 0.3432 386 GLN A CG 1202 C CD . GLN A 166 ? 2.0958 1.6372 1.5322 -0.0194 -0.2009 0.3547 386 GLN A CD 1203 O OE1 . GLN A 166 ? 2.0081 1.5612 1.4096 -0.0463 -0.1709 0.3452 386 GLN A OE1 1204 N NE2 . GLN A 166 ? 2.1068 1.5946 1.5331 -0.0091 -0.2086 0.3736 386 GLN A NE2 1205 N N . PRO A 167 ? 1.6069 1.3369 1.2398 -0.0325 -0.1263 0.2787 387 PRO A N 1206 C CA . PRO A 167 ? 1.5107 1.2929 1.1906 -0.0372 -0.1082 0.2566 387 PRO A CA 1207 C C . PRO A 167 ? 1.4472 1.2616 1.1515 -0.0298 -0.1323 0.2475 387 PRO A C 1208 O O . PRO A 167 ? 1.4785 1.2798 1.1376 -0.0329 -0.1506 0.2489 387 PRO A O 1209 C CB . PRO A 167 ? 1.4249 1.2069 1.0586 -0.0624 -0.0794 0.2454 387 PRO A CB 1210 C CG . PRO A 167 ? 1.5587 1.2893 1.1189 -0.0744 -0.0803 0.2635 387 PRO A CG 1211 C CD . PRO A 167 ? 1.6302 1.3296 1.1820 -0.0545 -0.1168 0.2835 387 PRO A CD 1212 N N . GLU A 168 ? 1.4083 1.2619 1.1803 -0.0214 -0.1325 0.2384 388 GLU A N 1213 C CA . GLU A 168 ? 1.2764 1.1589 1.0786 -0.0175 -0.1550 0.2291 388 GLU A CA 1214 C C . GLU A 168 ? 1.3274 1.2237 1.1036 -0.0310 -0.1465 0.2086 388 GLU A C 1215 O O . GLU A 168 ? 1.3706 1.2599 1.1076 -0.0436 -0.1217 0.2015 388 GLU A O 1216 C CB . GLU A 168 ? 1.2014 1.1178 1.0823 -0.0073 -0.1563 0.2294 388 GLU A CB 1217 C CG . GLU A 168 ? 1.2370 1.1540 1.1542 0.0100 -0.1818 0.2439 388 GLU A CG 1218 C CD . GLU A 168 ? 1.3318 1.2519 1.2493 0.0135 -0.2211 0.2433 388 GLU A CD 1219 O OE1 . GLU A 168 ? 1.2590 1.1907 1.1706 0.0040 -0.2297 0.2298 388 GLU A OE1 1220 O OE2 . GLU A 168 ? 1.5295 1.4388 1.4537 0.0279 -0.2469 0.2552 388 GLU A OE2 1221 N N . ASN A 169 ? 1.4473 1.3634 1.2477 -0.0282 -0.1684 0.1978 389 ASN A N 1222 C CA . ASN A 169 ? 1.5432 1.4660 1.3124 -0.0358 -0.1705 0.1762 389 ASN A CA 1223 C C . ASN A 169 ? 1.5443 1.4945 1.3642 -0.0353 -0.1720 0.1605 389 ASN A C 1224 O O . ASN A 169 ? 1.5362 1.4985 1.3551 -0.0404 -0.1506 0.1454 389 ASN A O 1225 C CB . ASN A 169 ? 1.7146 1.6218 1.4472 -0.0321 -0.2045 0.1754 389 ASN A CB 1226 C CG . ASN A 169 ? 1.7985 1.6839 1.4470 -0.0408 -0.1948 0.1712 389 ASN A CG 1227 O OD1 . ASN A 169 ? 1.7643 1.6489 1.3864 -0.0520 -0.1615 0.1686 389 ASN A OD1 1228 N ND2 . ASN A 169 ? 1.7968 1.6659 1.4018 -0.0372 -0.2238 0.1700 389 ASN A ND2 1229 N N . ASN A 170 ? 1.5110 1.4699 1.3758 -0.0296 -0.1998 0.1644 390 ASN A N 1230 C CA . ASN A 170 ? 1.4777 1.4555 1.3920 -0.0312 -0.2043 0.1547 390 ASN A CA 1231 C C . ASN A 170 ? 1.2816 1.2762 1.2510 -0.0305 -0.1857 0.1691 390 ASN A C 1232 O O . ASN A 170 ? 1.3761 1.3828 1.3935 -0.0273 -0.1973 0.1831 390 ASN A O 1233 C CB . ASN A 170 ? 1.6294 1.6075 1.5646 -0.0300 -0.2434 0.1495 390 ASN A CB 1234 C CG . ASN A 170 ? 1.8364 1.8231 1.8100 -0.0347 -0.2511 0.1364 390 ASN A CG 1235 O OD1 . ASN A 170 ? 1.7868 1.7784 1.7677 -0.0369 -0.2288 0.1310 390 ASN A OD1 1236 N ND2 . ASN A 170 ? 1.8854 1.8704 1.8829 -0.0363 -0.2857 0.1314 390 ASN A ND2 1237 N N . TYR A 171 ? 1.0938 1.0919 1.0549 -0.0331 -0.1563 0.1642 391 TYR A N 1238 C CA . TYR A 171 ? 0.9205 0.9341 0.9254 -0.0328 -0.1386 0.1725 391 TYR A CA 1239 C C . TYR A 171 ? 0.8957 0.9109 0.8872 -0.0360 -0.1253 0.1558 391 TYR A C 1240 O O . TYR A 171 ? 0.9617 0.9711 0.9125 -0.0376 -0.1206 0.1394 391 TYR A O 1241 C CB . TYR A 171 ? 0.8915 0.9045 0.8968 -0.0283 -0.1161 0.1859 391 TYR A CB 1242 C CG . TYR A 171 ? 0.9754 0.9733 0.9304 -0.0314 -0.0958 0.1783 391 TYR A CG 1243 C CD1 . TYR A 171 ? 0.9762 0.9804 0.9259 -0.0349 -0.0724 0.1681 391 TYR A CD1 1244 C CD2 . TYR A 171 ? 1.0737 1.0500 0.9855 -0.0325 -0.1009 0.1822 391 TYR A CD2 1245 C CE1 . TYR A 171 ? 1.0194 1.0142 0.9297 -0.0411 -0.0539 0.1598 391 TYR A CE1 1246 C CE2 . TYR A 171 ? 1.1128 1.0748 0.9795 -0.0403 -0.0804 0.1771 391 TYR A CE2 1247 C CZ . TYR A 171 ? 1.1625 1.1364 1.0322 -0.0456 -0.0563 0.1649 391 TYR A CZ 1248 O OH . TYR A 171 ? 1.2264 1.1907 1.0583 -0.0565 -0.0358 0.1586 391 TYR A OH 1249 N N . LYS A 172 ? 0.9185 0.9431 0.9440 -0.0368 -0.1194 0.1597 392 LYS A N 1250 C CA . LYS A 172 ? 0.8617 0.8863 0.8767 -0.0367 -0.1093 0.1451 392 LYS A CA 1251 C C . LYS A 172 ? 0.8113 0.8441 0.8454 -0.0356 -0.0875 0.1574 392 LYS A C 1252 O O . LYS A 172 ? 0.7607 0.8017 0.8255 -0.0360 -0.0840 0.1763 392 LYS A O 1253 C CB . LYS A 172 ? 0.8534 0.8706 0.8815 -0.0378 -0.1338 0.1352 392 LYS A CB 1254 C CG . LYS A 172 ? 0.8381 0.8469 0.8392 -0.0364 -0.1543 0.1163 392 LYS A CG 1255 C CD . LYS A 172 ? 0.9092 0.9179 0.8828 -0.0310 -0.1496 0.0890 392 LYS A CD 1256 C CE . LYS A 172 ? 1.0652 1.0719 1.0004 -0.0286 -0.1594 0.0664 392 LYS A CE 1257 N NZ . LYS A 172 ? 1.1520 1.1475 1.0826 -0.0305 -0.1852 0.0706 392 LYS A NZ 1258 N N . THR A 173 ? 0.7596 0.7933 0.7754 -0.0334 -0.0729 0.1453 393 THR A N 1259 C CA . THR A 173 ? 0.7472 0.7864 0.7705 -0.0312 -0.0530 0.1538 393 THR A CA 1260 C C . THR A 173 ? 0.7946 0.8307 0.8156 -0.0283 -0.0552 0.1455 393 THR A C 1261 O O . THR A 173 ? 0.8295 0.8628 0.8355 -0.0251 -0.0648 0.1248 393 THR A O 1262 C CB . THR A 173 ? 0.7733 0.8143 0.7748 -0.0301 -0.0316 0.1497 393 THR A CB 1263 O OG1 . THR A 173 ? 0.8027 0.8396 0.8061 -0.0304 -0.0322 0.1613 393 THR A OG1 1264 C CG2 . THR A 173 ? 0.7539 0.7993 0.7595 -0.0261 -0.0122 0.1555 393 THR A CG2 1265 N N . THR A 174 ? 0.7463 0.7827 0.7806 -0.0283 -0.0471 0.1614 394 THR A N 1266 C CA . THR A 174 ? 0.7903 0.8166 0.8176 -0.0250 -0.0529 0.1584 394 THR A CA 1267 C C . THR A 174 ? 0.7701 0.8024 0.7725 -0.0180 -0.0395 0.1420 394 THR A C 1268 O O . THR A 174 ? 0.7421 0.7839 0.7377 -0.0187 -0.0218 0.1406 394 THR A O 1269 C CB . THR A 174 ? 0.8125 0.8354 0.8554 -0.0299 -0.0469 0.1838 394 THR A CB 1270 O OG1 . THR A 174 ? 0.7860 0.8220 0.8229 -0.0272 -0.0206 0.1920 394 THR A OG1 1271 C CG2 . THR A 174 ? 0.7325 0.7572 0.8105 -0.0406 -0.0580 0.2004 394 THR A CG2 1272 N N . PRO A 175 ? 0.7815 0.8071 0.7718 -0.0107 -0.0500 0.1283 395 PRO A N 1273 C CA . PRO A 175 ? 0.7472 0.7839 0.7193 -0.0052 -0.0368 0.1127 395 PRO A CA 1274 C C . PRO A 175 ? 0.7733 0.8084 0.7379 -0.0047 -0.0198 0.1296 395 PRO A C 1275 O O . PRO A 175 ? 0.7916 0.8202 0.7660 -0.0086 -0.0165 0.1532 395 PRO A O 1276 C CB . PRO A 175 ? 0.6955 0.7285 0.6609 0.0053 -0.0557 0.0927 395 PRO A CB 1277 C CG . PRO A 175 ? 0.6979 0.7153 0.6751 0.0060 -0.0785 0.0938 395 PRO A CG 1278 C CD . PRO A 175 ? 0.7385 0.7469 0.7305 -0.0056 -0.0750 0.1218 395 PRO A CD 1279 N N . PRO A 176 ? 0.8360 0.8792 0.7845 -0.0008 -0.0077 0.1165 396 PRO A N 1280 C CA . PRO A 176 ? 0.7849 0.8243 0.7209 0.0020 0.0068 0.1306 396 PRO A CA 1281 C C . PRO A 176 ? 0.7869 0.8107 0.7110 0.0069 -0.0061 0.1418 396 PRO A C 1282 O O . PRO A 176 ? 0.7302 0.7457 0.6522 0.0121 -0.0276 0.1310 396 PRO A O 1283 C CB . PRO A 176 ? 0.8505 0.8981 0.7697 0.0056 0.0154 0.1090 396 PRO A CB 1284 C CG . PRO A 176 ? 0.8127 0.8709 0.7420 -0.0013 0.0151 0.0913 396 PRO A CG 1285 C CD . PRO A 176 ? 0.8356 0.8930 0.7777 -0.0013 -0.0038 0.0903 396 PRO A CD 1286 N N . VAL A 177 ? 0.8356 0.8542 0.7516 0.0054 0.0070 0.1643 397 VAL A N 1287 C CA . VAL A 177 ? 0.8484 0.8467 0.7425 0.0080 -0.0025 0.1791 397 VAL A CA 1288 C C . VAL A 177 ? 0.9039 0.9027 0.7633 0.0146 0.0141 0.1813 397 VAL A C 1289 O O . VAL A 177 ? 0.9665 0.9808 0.8285 0.0137 0.0381 0.1829 397 VAL A O 1290 C CB . VAL A 177 ? 0.8538 0.8433 0.7672 -0.0044 -0.0022 0.2084 397 VAL A CB 1291 C CG1 . VAL A 177 ? 0.8611 0.8241 0.7452 -0.0057 -0.0078 0.2298 397 VAL A CG1 1292 C CG2 . VAL A 177 ? 0.7577 0.7427 0.7007 -0.0093 -0.0234 0.2021 397 VAL A CG2 1293 N N . LEU A 178 ? 0.8696 0.8501 0.6950 0.0234 -0.0009 0.1791 398 LEU A N 1294 C CA . LEU A 178 ? 0.8509 0.8289 0.6353 0.0310 0.0110 0.1794 398 LEU A CA 1295 C C . LEU A 178 ? 0.9278 0.9009 0.6993 0.0229 0.0323 0.2114 398 LEU A C 1296 O O . LEU A 178 ? 0.9887 0.9406 0.7540 0.0156 0.0234 0.2356 398 LEU A O 1297 C CB . LEU A 178 ? 0.8797 0.8364 0.6288 0.0438 -0.0160 0.1705 398 LEU A CB 1298 C CG . LEU A 178 ? 0.8709 0.8224 0.5704 0.0552 -0.0133 0.1637 398 LEU A CG 1299 C CD1 . LEU A 178 ? 0.8339 0.8109 0.5401 0.0565 0.0063 0.1402 398 LEU A CD1 1300 C CD2 . LEU A 178 ? 0.8086 0.7453 0.4887 0.0702 -0.0485 0.1465 398 LEU A CD2 1301 N N . ASP A 179 ? 0.9422 0.9344 0.7100 0.0236 0.0610 0.2109 399 ASP A N 1302 C CA . ASP A 179 ? 1.0427 1.0405 0.7997 0.0168 0.0877 0.2378 399 ASP A CA 1303 C C . ASP A 179 ? 1.1499 1.1296 0.8403 0.0250 0.0911 0.2435 399 ASP A C 1304 O O . ASP A 179 ? 1.1686 1.1340 0.8263 0.0378 0.0712 0.2233 399 ASP A O 1305 C CB . ASP A 179 ? 1.0125 1.0418 0.8012 0.0171 0.1162 0.2323 399 ASP A CB 1306 C CG . ASP A 179 ? 1.1326 1.1816 0.9469 0.0051 0.1409 0.2605 399 ASP A CG 1307 O OD1 . ASP A 179 ? 1.3089 1.3468 1.0993 -0.0042 0.1456 0.2856 399 ASP A OD1 1308 O OD2 . ASP A 179 ? 1.0722 1.1482 0.9306 0.0046 0.1558 0.2578 399 ASP A OD2 1309 N N . SER A 180 ? 1.1699 1.1522 0.8396 0.0174 0.1159 0.2702 400 SER A N 1310 C CA . SER A 180 ? 1.3027 1.2616 0.9005 0.0234 0.1166 0.2802 400 SER A CA 1311 C C . SER A 180 ? 1.2930 1.2606 0.8492 0.0409 0.1287 0.2549 400 SER A C 1312 O O . SER A 180 ? 1.2921 1.2373 0.7836 0.0493 0.1211 0.2567 400 SER A O 1313 C CB . SER A 180 ? 1.3134 1.2675 0.8931 0.0061 0.1392 0.3205 400 SER A CB 1314 O OG . SER A 180 ? 1.2697 1.2659 0.8878 -0.0017 0.1775 0.3263 400 SER A OG 1315 N N . ASP A 181 ? 1.2703 1.2658 0.8610 0.0465 0.1443 0.2315 401 ASP A N 1316 C CA . ASP A 181 ? 1.2791 1.2803 0.8364 0.0627 0.1546 0.2035 401 ASP A CA 1317 C C . ASP A 181 ? 1.2848 1.2786 0.8513 0.0714 0.1259 0.1685 401 ASP A C 1318 O O . ASP A 181 ? 1.3352 1.3336 0.8904 0.0816 0.1313 0.1410 401 ASP A O 1319 C CB . ASP A 181 ? 1.2394 1.2718 0.8266 0.0650 0.1905 0.1986 401 ASP A CB 1320 C CG . ASP A 181 ? 1.2529 1.2997 0.9094 0.0618 0.1857 0.1859 401 ASP A CG 1321 O OD1 . ASP A 181 ? 1.2528 1.2892 0.9350 0.0549 0.1587 0.1836 401 ASP A OD1 1322 O OD2 . ASP A 181 ? 1.2260 1.2933 0.9090 0.0676 0.2083 0.1775 401 ASP A OD2 1323 N N . GLY A 182 ? 1.2211 1.2049 0.8113 0.0665 0.0963 0.1680 402 GLY A N 1324 C CA . GLY A 182 ? 1.1865 1.1718 0.7937 0.0715 0.0726 0.1352 402 GLY A CA 1325 C C . GLY A 182 ? 1.2027 1.2060 0.8684 0.0636 0.0790 0.1226 402 GLY A C 1326 O O . GLY A 182 ? 1.2214 1.2279 0.9082 0.0623 0.0601 0.1011 402 GLY A O 1327 N N . SER A 183 ? 1.0719 1.0879 0.7633 0.0587 0.1052 0.1356 403 SER A N 1328 C CA . SER A 183 ? 0.9530 0.9801 0.6948 0.0516 0.1075 0.1292 403 SER A CA 1329 C C . SER A 183 ? 0.9361 0.9647 0.7135 0.0405 0.0935 0.1457 403 SER A C 1330 O O . SER A 183 ? 0.9571 0.9750 0.7217 0.0387 0.0797 0.1599 403 SER A O 1331 C CB . SER A 183 ? 0.9664 1.0055 0.7235 0.0547 0.1359 0.1335 403 SER A CB 1332 O OG . SER A 183 ? 1.0430 1.0956 0.8261 0.0481 0.1483 0.1614 403 SER A OG 1333 N N . PHE A 184 ? 0.8875 0.9249 0.7055 0.0339 0.0949 0.1433 404 PHE A N 1334 C CA . PHE A 184 ? 0.8570 0.8954 0.7066 0.0245 0.0795 0.1527 404 PHE A CA 1335 C C . PHE A 184 ? 0.8844 0.9349 0.7709 0.0188 0.0926 0.1686 404 PHE A C 1336 O O . PHE A 184 ? 0.9075 0.9653 0.8009 0.0236 0.1100 0.1647 404 PHE A O 1337 C CB . PHE A 184 ? 0.7767 0.8153 0.6364 0.0218 0.0628 0.1289 404 PHE A CB 1338 C CG . PHE A 184 ? 0.7372 0.7710 0.5757 0.0273 0.0432 0.1119 404 PHE A CG 1339 C CD1 . PHE A 184 ? 0.7472 0.7818 0.5626 0.0334 0.0438 0.0902 404 PHE A CD1 1340 C CD2 . PHE A 184 ? 0.7509 0.7791 0.5951 0.0279 0.0210 0.1147 404 PHE A CD2 1341 C CE1 . PHE A 184 ? 0.7503 0.7847 0.5503 0.0405 0.0219 0.0724 404 PHE A CE1 1342 C CE2 . PHE A 184 ? 0.7511 0.7761 0.5787 0.0371 -0.0006 0.0970 404 PHE A CE2 1343 C CZ . PHE A 184 ? 0.7407 0.7713 0.5478 0.0436 -0.0004 0.0760 404 PHE A CZ 1344 N N . PHE A 185 ? 0.8119 0.8633 0.7238 0.0100 0.0813 0.1843 405 PHE A N 1345 C CA . PHE A 185 ? 0.7768 0.8412 0.7285 0.0046 0.0862 0.1956 405 PHE A CA 1346 C C . PHE A 185 ? 0.7995 0.8576 0.7694 -0.0034 0.0626 0.1952 405 PHE A C 1347 O O . PHE A 185 ? 0.8538 0.8985 0.8092 -0.0044 0.0456 0.1918 405 PHE A O 1348 C CB . PHE A 185 ? 0.7915 0.8705 0.7612 0.0002 0.1013 0.2204 405 PHE A CB 1349 C CG . PHE A 185 ? 0.7486 0.8174 0.7205 -0.0111 0.0876 0.2382 405 PHE A CG 1350 C CD1 . PHE A 185 ? 0.7929 0.8422 0.7248 -0.0100 0.0830 0.2420 405 PHE A CD1 1351 C CD2 . PHE A 185 ? 0.6790 0.7531 0.6910 -0.0228 0.0760 0.2510 405 PHE A CD2 1352 C CE1 . PHE A 185 ? 0.8018 0.8329 0.7332 -0.0207 0.0680 0.2606 405 PHE A CE1 1353 C CE2 . PHE A 185 ? 0.6859 0.7444 0.7010 -0.0349 0.0613 0.2673 405 PHE A CE2 1354 C CZ . PHE A 185 ? 0.7750 0.8095 0.7490 -0.0340 0.0575 0.2728 405 PHE A CZ 1355 N N . LEU A 186 ? 0.7337 0.7995 0.7328 -0.0068 0.0598 0.1975 406 LEU A N 1356 C CA . LEU A 186 ? 0.7680 0.8297 0.7863 -0.0146 0.0379 0.1993 406 LEU A CA 1357 C C . LEU A 186 ? 0.8030 0.8792 0.8593 -0.0182 0.0394 0.2137 406 LEU A C 1358 O O . LEU A 186 ? 0.7680 0.8592 0.8368 -0.0129 0.0582 0.2204 406 LEU A O 1359 C CB . LEU A 186 ? 0.7536 0.8078 0.7572 -0.0136 0.0267 0.1773 406 LEU A CB 1360 C CG . LEU A 186 ? 0.7249 0.7801 0.7205 -0.0107 0.0394 0.1677 406 LEU A CG 1361 C CD1 . LEU A 186 ? 0.7295 0.7882 0.7492 -0.0120 0.0368 0.1793 406 LEU A CD1 1362 C CD2 . LEU A 186 ? 0.6567 0.7065 0.6308 -0.0134 0.0345 0.1454 406 LEU A CD2 1363 N N . TYR A 187 ? 0.8255 0.8989 0.9012 -0.0254 0.0183 0.2159 407 TYR A N 1364 C CA . TYR A 187 ? 0.8302 0.9171 0.9415 -0.0275 0.0124 0.2248 407 TYR A CA 1365 C C . TYR A 187 ? 0.9300 1.0049 1.0322 -0.0281 -0.0087 0.2122 407 TYR A C 1366 O O . TYR A 187 ? 0.9301 0.9908 1.0113 -0.0306 -0.0221 0.1995 407 TYR A O 1367 C CB . TYR A 187 ? 0.9056 1.0029 1.0544 -0.0389 0.0042 0.2425 407 TYR A CB 1368 C CG . TYR A 187 ? 0.9622 1.0786 1.1287 -0.0429 0.0272 0.2605 407 TYR A CG 1369 C CD1 . TYR A 187 ? 0.9892 1.1374 1.2040 -0.0459 0.0361 0.2738 407 TYR A CD1 1370 C CD2 . TYR A 187 ? 0.9266 1.0311 1.0617 -0.0440 0.0391 0.2644 407 TYR A CD2 1371 C CE1 . TYR A 187 ? 1.1135 1.2852 1.3453 -0.0513 0.0612 0.2899 407 TYR A CE1 1372 C CE2 . TYR A 187 ? 0.9350 1.0561 1.0782 -0.0492 0.0623 0.2824 407 TYR A CE2 1373 C CZ . TYR A 187 ? 1.0137 1.1702 1.2056 -0.0539 0.0757 0.2952 407 TYR A CZ 1374 O OH . TYR A 187 ? 0.8829 1.0623 1.0845 -0.0607 0.1031 0.3125 407 TYR A OH 1375 N N . SER A 188 ? 0.9637 1.0444 1.0801 -0.0246 -0.0124 0.2152 408 SER A N 1376 C CA . SER A 188 ? 0.8675 0.9365 0.9721 -0.0261 -0.0334 0.2072 408 SER A CA 1377 C C . SER A 188 ? 0.8391 0.9199 0.9832 -0.0288 -0.0529 0.2183 408 SER A C 1378 O O . SER A 188 ? 0.8703 0.9705 1.0494 -0.0246 -0.0461 0.2303 408 SER A O 1379 C CB . SER A 188 ? 0.9137 0.9702 0.9881 -0.0201 -0.0252 0.2004 408 SER A CB 1380 O OG . SER A 188 ? 0.8637 0.9063 0.9146 -0.0236 -0.0432 0.1929 408 SER A OG 1381 N N . LYS A 189 ? 0.8816 0.9529 1.0223 -0.0349 -0.0781 0.2118 409 LYS A N 1382 C CA . LYS A 189 ? 0.9192 1.0011 1.0993 -0.0393 -0.1021 0.2197 409 LYS A CA 1383 C C . LYS A 189 ? 0.9102 0.9797 1.0671 -0.0347 -0.1236 0.2122 409 LYS A C 1384 O O . LYS A 189 ? 0.9830 1.0331 1.0948 -0.0348 -0.1283 0.1978 409 LYS A O 1385 C CB . LYS A 189 ? 0.8392 0.9158 1.0357 -0.0513 -0.1189 0.2183 409 LYS A CB 1386 C CG . LYS A 189 ? 0.9295 1.0189 1.1743 -0.0598 -0.1442 0.2260 409 LYS A CG 1387 C CD . LYS A 189 ? 0.8934 0.9653 1.1461 -0.0726 -0.1666 0.2209 409 LYS A CD 1388 C CE . LYS A 189 ? 0.9835 1.0327 1.2018 -0.0684 -0.1950 0.1997 409 LYS A CE 1389 N NZ . LYS A 189 ? 0.9599 0.9823 1.1592 -0.0719 -0.2067 0.1860 409 LYS A NZ 1390 N N . LEU A 190 ? 0.9242 1.0062 1.1107 -0.0298 -0.1364 0.2216 410 LEU A N 1391 C CA . LEU A 190 ? 0.9267 0.9925 1.0841 -0.0240 -0.1589 0.2173 410 LEU A CA 1392 C C . LEU A 190 ? 0.9690 1.0488 1.1686 -0.0259 -0.1916 0.2208 410 LEU A C 1393 O O . LEU A 190 ? 0.9288 1.0379 1.1878 -0.0248 -0.1921 0.2320 410 LEU A O 1394 C CB . LEU A 190 ? 0.9061 0.9632 1.0440 -0.0115 -0.1464 0.2241 410 LEU A CB 1395 C CG . LEU A 190 ? 0.9574 1.0001 1.0794 -0.0022 -0.1726 0.2286 410 LEU A CG 1396 C CD1 . LEU A 190 ? 0.9956 1.0077 1.0501 -0.0075 -0.1850 0.2183 410 LEU A CD1 1397 C CD2 . LEU A 190 ? 0.8679 0.9026 0.9883 0.0125 -0.1608 0.2387 410 LEU A CD2 1398 N N . THR A 191 ? 1.1369 1.1981 1.3057 -0.0291 -0.2187 0.2090 411 THR A N 1399 C CA . THR A 191 ? 1.2078 1.2767 1.4080 -0.0318 -0.2566 0.2074 411 THR A CA 1400 C C . THR A 191 ? 1.2732 1.3310 1.4468 -0.0195 -0.2802 0.2093 411 THR A C 1401 O O . THR A 191 ? 1.4165 1.4451 1.5205 -0.0153 -0.2791 0.2032 411 THR A O 1402 C CB . THR A 191 ? 1.1778 1.2285 1.3556 -0.0413 -0.2761 0.1895 411 THR A CB 1403 O OG1 . THR A 191 ? 1.1996 1.2564 1.4077 -0.0524 -0.2616 0.1905 411 THR A OG1 1404 C CG2 . THR A 191 ? 1.2424 1.2950 1.4426 -0.0438 -0.3200 0.1838 411 THR A CG2 1405 N N . VAL A 192 ? 1.2764 1.3584 1.5057 -0.0142 -0.3016 0.2181 412 VAL A N 1406 C CA . VAL A 192 ? 1.3639 1.4351 1.5744 -0.0010 -0.3347 0.2201 412 VAL A CA 1407 C C . VAL A 192 ? 1.3021 1.3997 1.5751 -0.0049 -0.3744 0.2168 412 VAL A C 1408 O O . VAL A 192 ? 1.2285 1.3558 1.5665 -0.0185 -0.3697 0.2172 412 VAL A O 1409 C CB . VAL A 192 ? 1.4041 1.4773 1.6203 0.0170 -0.3226 0.2346 412 VAL A CB 1410 C CG1 . VAL A 192 ? 1.3970 1.4320 1.5364 0.0198 -0.2944 0.2364 412 VAL A CG1 1411 C CG2 . VAL A 192 ? 1.3444 1.4623 1.6429 0.0181 -0.2999 0.2427 412 VAL A CG2 1412 N N . ASP A 193 ? 1.4157 1.5009 1.6672 0.0057 -0.4140 0.2143 413 ASP A N 1413 C CA . ASP A 193 ? 1.4778 1.5895 1.7903 0.0036 -0.4581 0.2094 413 ASP A CA 1414 C C . ASP A 193 ? 1.4388 1.6027 1.8486 0.0082 -0.4519 0.2211 413 ASP A C 1415 O O . ASP A 193 ? 1.4300 1.5996 1.8431 0.0235 -0.4280 0.2325 413 ASP A O 1416 C CB . ASP A 193 ? 1.5676 1.6539 1.8303 0.0189 -0.5027 0.2059 413 ASP A CB 1417 C CG . ASP A 193 ? 1.6934 1.7270 1.8431 0.0194 -0.4994 0.1981 413 ASP A CG 1418 O OD1 . ASP A 193 ? 1.7435 1.7639 1.8597 0.0080 -0.4662 0.1915 413 ASP A OD1 1419 O OD2 . ASP A 193 ? 1.7500 1.7565 1.8431 0.0316 -0.5306 0.1984 413 ASP A OD2 1420 N N . LYS A 194 ? 1.4465 1.6494 1.9375 -0.0052 -0.4732 0.2170 414 LYS A N 1421 C CA . LYS A 194 ? 1.3991 1.6623 1.9919 -0.0032 -0.4658 0.2261 414 LYS A CA 1422 C C . LYS A 194 ? 1.4019 1.6699 1.9943 0.0273 -0.4815 0.2316 414 LYS A C 1423 O O . LYS A 194 ? 1.3766 1.6687 2.0012 0.0407 -0.4523 0.2407 414 LYS A O 1424 C CB . LYS A 194 ? 1.4051 1.7088 2.0840 -0.0230 -0.4977 0.2192 414 LYS A CB 1425 C CG . LYS A 194 ? 1.3722 1.7461 2.1634 -0.0325 -0.4753 0.2286 414 LYS A CG 1426 C CD . LYS A 194 ? 1.3977 1.8011 2.2633 -0.0647 -0.4938 0.2240 414 LYS A CD 1427 C CE . LYS A 194 ? 1.4999 1.9428 2.4364 -0.0609 -0.5469 0.2145 414 LYS A CE 1428 N NZ . LYS A 194 ? 1.5218 2.0070 2.5537 -0.0955 -0.5602 0.2120 414 LYS A NZ 1429 N N . SER A 195 ? 1.5090 1.7480 2.0566 0.0395 -0.5283 0.2255 415 SER A N 1430 C CA . SER A 195 ? 1.5466 1.7871 2.0981 0.0694 -0.5578 0.2306 415 SER A CA 1431 C C . SER A 195 ? 1.5376 1.7440 2.0317 0.0891 -0.5257 0.2430 415 SER A C 1432 O O . SER A 195 ? 1.5791 1.8039 2.1119 0.1133 -0.5291 0.2494 415 SER A O 1433 C CB . SER A 195 ? 1.5863 1.7914 2.0811 0.0768 -0.6152 0.2225 415 SER A CB 1434 O OG . SER A 195 ? 1.5776 1.7184 1.9549 0.0717 -0.6065 0.2209 415 SER A OG 1435 N N . ARG A 196 ? 1.4654 1.6234 1.8719 0.0788 -0.4955 0.2445 416 ARG A N 1436 C CA . ARG A 196 ? 1.4375 1.5611 1.7901 0.0914 -0.4615 0.2553 416 ARG A CA 1437 C C . ARG A 196 ? 1.3622 1.5268 1.7843 0.0961 -0.4204 0.2598 416 ARG A C 1438 O O . ARG A 196 ? 1.3964 1.5474 1.8095 0.1173 -0.4089 0.2671 416 ARG A O 1439 C CB . ARG A 196 ? 1.4848 1.5588 1.7409 0.0754 -0.4359 0.2532 416 ARG A CB 1440 C CG . ARG A 196 ? 1.4637 1.4757 1.6180 0.0859 -0.4493 0.2603 416 ARG A CG 1441 C CD . ARG A 196 ? 1.4911 1.4675 1.5615 0.0668 -0.4232 0.2544 416 ARG A CD 1442 N NE . ARG A 196 ? 1.5476 1.4890 1.5645 0.0689 -0.3882 0.2647 416 ARG A NE 1443 C CZ . ARG A 196 ? 1.4768 1.4008 1.4432 0.0523 -0.3530 0.2595 416 ARG A CZ 1444 N NH1 . ARG A 196 ? 1.5003 1.4372 1.4613 0.0358 -0.3484 0.2438 416 ARG A NH1 1445 N NH2 . ARG A 196 ? 1.4280 1.3217 1.3525 0.0528 -0.3245 0.2685 416 ARG A NH2 1446 N N . TRP A 197 ? 1.2438 1.4542 1.7298 0.0763 -0.3982 0.2554 417 TRP A N 1447 C CA . TRP A 197 ? 1.1774 1.4338 1.7321 0.0803 -0.3600 0.2592 417 TRP A CA 1448 C C . TRP A 197 ? 1.1668 1.4696 1.8029 0.1036 -0.3853 0.2589 417 TRP A C 1449 O O . TRP A 197 ? 1.1654 1.4636 1.8030 0.1303 -0.3776 0.2620 417 TRP A O 1450 C CB . TRP A 197 ? 1.0802 1.3719 1.6793 0.0513 -0.3317 0.2577 417 TRP A CB 1451 C CG . TRP A 197 ? 1.0379 1.3817 1.7053 0.0522 -0.2894 0.2622 417 TRP A CG 1452 C CD1 . TRP A 197 ? 1.0987 1.5084 1.8618 0.0397 -0.2835 0.2632 417 TRP A CD1 1453 C CD2 . TRP A 197 ? 1.0459 1.3803 1.6878 0.0644 -0.2468 0.2651 417 TRP A CD2 1454 N NE1 . TRP A 197 ? 1.0400 1.4839 1.8355 0.0443 -0.2379 0.2671 417 TRP A NE1 1455 C CE2 . TRP A 197 ? 1.0311 1.4286 1.7528 0.0608 -0.2164 0.2671 417 TRP A CE2 1456 C CE3 . TRP A 197 ? 1.0738 1.3533 1.6337 0.0765 -0.2313 0.2654 417 TRP A CE3 1457 C CZ2 . TRP A 197 ? 1.0407 1.4463 1.7576 0.0719 -0.1726 0.2676 417 TRP A CZ2 1458 C CZ3 . TRP A 197 ? 1.0389 1.3251 1.5991 0.0863 -0.1898 0.2657 417 TRP A CZ3 1459 C CH2 . TRP A 197 ? 1.0202 1.3682 1.6559 0.0851 -0.1616 0.2659 417 TRP A CH2 1460 N N . GLN A 198 ? 1.1208 1.4640 1.8217 0.0947 -0.4196 0.2535 418 GLN A N 1461 C CA . GLN A 198 ? 1.1956 1.5988 1.9935 0.1131 -0.4440 0.2501 418 GLN A CA 1462 C C . GLN A 198 ? 1.2557 1.6357 2.0340 0.1526 -0.4733 0.2518 418 GLN A C 1463 O O . GLN A 198 ? 1.2524 1.6853 2.1154 0.1752 -0.4842 0.2479 418 GLN A O 1464 C CB . GLN A 198 ? 1.2058 1.6469 2.0656 0.0938 -0.4838 0.2424 418 GLN A CB 1465 C CG . GLN A 198 ? 1.1710 1.6978 2.1522 0.0775 -0.4617 0.2408 418 GLN A CG 1466 C CD . GLN A 198 ? 1.1871 1.7197 2.1812 0.0356 -0.4520 0.2409 418 GLN A CD 1467 O OE1 . GLN A 198 ? 1.1295 1.7010 2.1939 0.0180 -0.4827 0.2347 418 GLN A OE1 1468 N NE2 . GLN A 198 ? 1.1634 1.6556 2.0912 0.0195 -0.4114 0.2472 418 GLN A NE2 1469 N N . GLN A 199 ? 1.3073 1.6087 1.9755 0.1608 -0.4848 0.2578 419 GLN A N 1470 C CA . GLN A 199 ? 1.3474 1.6102 1.9805 0.1961 -0.5150 0.2633 419 GLN A CA 1471 C C . GLN A 199 ? 1.3747 1.6152 1.9890 0.2165 -0.4781 0.2689 419 GLN A C 1472 O O . GLN A 199 ? 1.4558 1.6434 2.0182 0.2424 -0.4983 0.2761 419 GLN A O 1473 C CB . GLN A 199 ? 1.3987 1.5862 1.9199 0.1933 -0.5491 0.2690 419 GLN A CB 1474 C CG . GLN A 199 ? 1.5677 1.7746 2.1138 0.1904 -0.6055 0.2612 419 GLN A CG 1475 C CD . GLN A 199 ? 1.6699 1.8117 2.1035 0.1771 -0.6287 0.2624 419 GLN A CD 1476 O OE1 . GLN A 199 ? 1.6951 1.7750 2.0291 0.1730 -0.6052 0.2713 419 GLN A OE1 1477 N NE2 . GLN A 199 ? 1.6423 1.8000 2.0925 0.1698 -0.6749 0.2517 419 GLN A NE2 1478 N N . GLY A 200 ? 1.3680 1.6445 2.0205 0.2045 -0.4259 0.2655 420 GLY A N 1479 C CA . GLY A 200 ? 1.3247 1.5903 1.9726 0.2241 -0.3892 0.2662 420 GLY A CA 1480 C C . GLY A 200 ? 1.3258 1.5063 1.8608 0.2217 -0.3718 0.2745 420 GLY A C 1481 O O . GLY A 200 ? 1.3041 1.4581 1.8245 0.2439 -0.3575 0.2753 420 GLY A O 1482 N N . ASN A 201 ? 1.3302 1.4694 1.7883 0.1947 -0.3729 0.2790 421 ASN A N 1483 C CA . ASN A 201 ? 1.4247 1.4897 1.7787 0.1871 -0.3544 0.2862 421 ASN A CA 1484 C C . ASN A 201 ? 1.3711 1.4425 1.7252 0.1777 -0.3003 0.2818 421 ASN A C 1485 O O . ASN A 201 ? 1.4201 1.5502 1.8397 0.1691 -0.2750 0.2746 421 ASN A O 1486 C CB . ASN A 201 ? 1.4954 1.5271 1.7755 0.1603 -0.3654 0.2882 421 ASN A CB 1487 C CG . ASN A 201 ? 1.6081 1.6258 1.8716 0.1688 -0.4201 0.2915 421 ASN A CG 1488 O OD1 . ASN A 201 ? 1.7404 1.7014 1.9398 0.1837 -0.4450 0.3023 421 ASN A OD1 1489 N ND2 . ASN A 201 ? 1.5733 1.6390 1.8914 0.1583 -0.4407 0.2828 421 ASN A ND2 1490 N N . VAL A 202 ? 1.3006 1.3104 1.5795 0.1779 -0.2837 0.2867 422 VAL A N 1491 C CA . VAL A 202 ? 1.2274 1.2363 1.4973 0.1694 -0.2366 0.2809 422 VAL A CA 1492 C C . VAL A 202 ? 1.2385 1.2224 1.4428 0.1380 -0.2157 0.2802 422 VAL A C 1493 O O . VAL A 202 ? 1.2264 1.1561 1.3534 0.1281 -0.2251 0.2866 422 VAL A O 1494 C CB . VAL A 202 ? 1.2529 1.2166 1.4980 0.1915 -0.2278 0.2822 422 VAL A CB 1495 C CG1 . VAL A 202 ? 1.2313 1.1490 1.4051 0.1710 -0.1955 0.2815 422 VAL A CG1 1496 C CG2 . VAL A 202 ? 1.2432 1.2590 1.5714 0.2162 -0.2118 0.2715 422 VAL A CG2 1497 N N . PHE A 203 ? 1.2031 1.2284 1.4395 0.1230 -0.1858 0.2722 423 PHE A N 1498 C CA . PHE A 203 ? 1.1402 1.1488 1.3257 0.0974 -0.1647 0.2684 423 PHE A CA 1499 C C . PHE A 203 ? 1.1176 1.1208 1.2946 0.0976 -0.1265 0.2625 423 PHE A C 1500 O O . PHE A 203 ? 1.0979 1.1283 1.3233 0.1141 -0.1125 0.2593 423 PHE A O 1501 C CB . PHE A 203 ? 1.0417 1.0911 1.2601 0.0796 -0.1683 0.2644 423 PHE A CB 1502 C CG . PHE A 203 ? 1.0857 1.1304 1.2975 0.0771 -0.2085 0.2670 423 PHE A CG 1503 C CD1 . PHE A 203 ? 1.0361 1.1145 1.3114 0.0905 -0.2374 0.2695 423 PHE A CD1 1504 C CD2 . PHE A 203 ? 1.0980 1.1065 1.2395 0.0622 -0.2183 0.2647 423 PHE A CD2 1505 C CE1 . PHE A 203 ? 1.0629 1.1356 1.3296 0.0885 -0.2780 0.2698 423 PHE A CE1 1506 C CE2 . PHE A 203 ? 1.1399 1.1421 1.2683 0.0610 -0.2564 0.2648 423 PHE A CE2 1507 C CZ . PHE A 203 ? 1.1067 1.1386 1.2960 0.0742 -0.2880 0.2675 423 PHE A CZ 1508 N N . SER A 204 ? 1.1124 1.0810 1.2269 0.0803 -0.1111 0.2594 424 SER A N 1509 C CA . SER A 204 ? 1.0713 1.0242 1.1651 0.0787 -0.0799 0.2524 424 SER A CA 1510 C C . SER A 204 ? 1.0554 1.0132 1.1214 0.0554 -0.0603 0.2439 424 SER A C 1511 O O . SER A 204 ? 1.0631 1.0044 1.0882 0.0393 -0.0688 0.2433 424 SER A O 1512 C CB . SER A 204 ? 1.2216 1.1142 1.2632 0.0841 -0.0844 0.2571 424 SER A CB 1513 O OG . SER A 204 ? 1.2793 1.1659 1.3509 0.1107 -0.0864 0.2576 424 SER A OG 1514 N N . CYS A 205 ? 1.0466 1.0281 1.1342 0.0558 -0.0344 0.2360 425 CYS A N 1515 C CA . CYS A 205 ? 0.9895 0.9774 1.0564 0.0388 -0.0153 0.2263 425 CYS A CA 1516 C C . CYS A 205 ? 0.9929 0.9494 1.0218 0.0372 0.0037 0.2177 425 CYS A C 1517 O O . CYS A 205 ? 0.9979 0.9526 1.0405 0.0517 0.0163 0.2144 425 CYS A O 1518 C CB . CYS A 205 ? 0.9194 0.9513 1.0315 0.0406 -0.0013 0.2253 425 CYS A CB 1519 S SG . CYS A 205 ? 0.9984 1.0353 1.0848 0.0225 0.0139 0.2152 425 CYS A SG 1520 N N . SER A 206 ? 1.0468 0.9805 1.0302 0.0195 0.0056 0.2121 426 SER A N 1521 C CA . SER A 206 ? 1.0239 0.9277 0.9723 0.0122 0.0219 0.2029 426 SER A CA 1522 C C . SER A 206 ? 1.0184 0.9434 0.9634 0.0014 0.0387 0.1879 426 SER A C 1523 O O . SER A 206 ? 1.0588 1.0049 1.0038 -0.0087 0.0347 0.1841 426 SER A O 1524 C CB . SER A 206 ? 1.0435 0.9104 0.9439 -0.0039 0.0150 0.2068 426 SER A CB 1525 O OG . SER A 206 ? 1.2060 1.0513 1.1022 0.0058 -0.0062 0.2226 426 SER A OG 1526 N N . VAL A 207 ? 0.9579 0.8741 0.8978 0.0047 0.0548 0.1775 427 VAL A N 1527 C CA . VAL A 207 ? 0.9105 0.8442 0.8443 -0.0037 0.0675 0.1620 427 VAL A CA 1528 C C . VAL A 207 ? 0.9327 0.8393 0.8382 -0.0141 0.0775 0.1487 427 VAL A C 1529 O O . VAL A 207 ? 0.9794 0.8602 0.8810 -0.0054 0.0825 0.1469 427 VAL A O 1530 C CB . VAL A 207 ? 0.9194 0.8797 0.8788 0.0110 0.0775 0.1602 427 VAL A CB 1531 C CG1 . VAL A 207 ? 0.9428 0.9139 0.8877 0.0041 0.0870 0.1443 427 VAL A CG1 1532 C CG2 . VAL A 207 ? 0.8414 0.8315 0.8331 0.0155 0.0687 0.1738 427 VAL A CG2 1533 N N . MET A 208 ? 0.9633 0.8766 0.8520 -0.0328 0.0797 0.1378 428 MET A N 1534 C CA . MET A 208 ? 0.9845 0.8800 0.8529 -0.0475 0.0893 0.1229 428 MET A CA 1535 C C . MET A 208 ? 0.9357 0.8604 0.8129 -0.0455 0.0950 0.1043 428 MET A C 1536 O O . MET A 208 ? 0.8679 0.8235 0.7545 -0.0459 0.0903 0.1011 428 MET A O 1537 C CB . MET A 208 ? 1.0256 0.9170 0.8730 -0.0715 0.0893 0.1215 428 MET A CB 1538 C CG . MET A 208 ? 1.1739 1.0226 0.9946 -0.0815 0.0862 0.1378 428 MET A CG 1539 S SD . MET A 208 ? 1.1835 1.0392 0.9751 -0.1092 0.0886 0.1390 428 MET A SD 1540 C CE . MET A 208 ? 1.0361 0.9239 0.8426 -0.0931 0.0723 0.1460 428 MET A CE 1541 N N . HIS A 209 ? 0.9311 0.8427 0.8029 -0.0419 0.1025 0.0915 429 HIS A N 1542 C CA . HIS A 209 ? 0.8988 0.8336 0.7726 -0.0380 0.1052 0.0735 429 HIS A CA 1543 C C . HIS A 209 ? 0.9936 0.9057 0.8542 -0.0427 0.1109 0.0547 429 HIS A C 1544 O O . HIS A 209 ? 1.0632 0.9402 0.9169 -0.0373 0.1141 0.0580 429 HIS A O 1545 C CB . HIS A 209 ? 0.8036 0.7561 0.6886 -0.0166 0.1061 0.0819 429 HIS A CB 1546 C CG . HIS A 209 ? 0.8774 0.8486 0.7555 -0.0114 0.1068 0.0671 429 HIS A CG 1547 N ND1 . HIS A 209 ? 0.8963 0.8556 0.7591 -0.0057 0.1124 0.0504 429 HIS A ND1 1548 C CD2 . HIS A 209 ? 0.8429 0.8396 0.7236 -0.0103 0.0994 0.0657 429 HIS A CD2 1549 C CE1 . HIS A 209 ? 0.8792 0.8578 0.7333 -0.0012 0.1084 0.0403 429 HIS A CE1 1550 N NE2 . HIS A 209 ? 0.8570 0.8569 0.7219 -0.0036 0.1001 0.0502 429 HIS A NE2 1551 N N . GLU A 210 ? 0.9369 0.8670 0.7953 -0.0514 0.1095 0.0333 430 GLU A N 1552 C CA . GLU A 210 ? 0.9500 0.8573 0.7980 -0.0614 0.1120 0.0130 430 GLU A CA 1553 C C . GLU A 210 ? 0.9210 0.8010 0.7580 -0.0417 0.1157 0.0095 430 GLU A C 1554 O O . GLU A 210 ? 0.9972 0.8431 0.8248 -0.0486 0.1168 -0.0015 430 GLU A O 1555 C CB . GLU A 210 ? 0.9423 0.8781 0.7946 -0.0719 0.1067 -0.0132 430 GLU A CB 1556 C CG . GLU A 210 ? 1.0255 0.9867 0.8743 -0.0509 0.1000 -0.0205 430 GLU A CG 1557 C CD . GLU A 210 ? 1.0813 1.0521 0.9255 -0.0543 0.0920 -0.0499 430 GLU A CD 1558 O OE1 . GLU A 210 ? 1.0543 1.0598 0.9089 -0.0555 0.0814 -0.0609 430 GLU A OE1 1559 O OE2 . GLU A 210 ? 1.1151 1.0580 0.9460 -0.0541 0.0937 -0.0637 430 GLU A OE2 1560 N N . ALA A 211 ? 0.9564 0.8508 0.7945 -0.0179 0.1184 0.0178 431 ALA A N 1561 C CA . ALA A 211 ? 1.0125 0.8886 0.8375 0.0018 0.1244 0.0073 431 ALA A CA 1562 C C . ALA A 211 ? 0.9974 0.8469 0.8287 0.0160 0.1297 0.0206 431 ALA A C 1563 O O . ALA A 211 ? 1.0367 0.8676 0.8590 0.0327 0.1350 0.0093 431 ALA A O 1564 C CB . ALA A 211 ? 0.9144 0.8198 0.7308 0.0196 0.1277 0.0047 431 ALA A CB 1565 N N . LEU A 212 ? 1.0213 0.8693 0.8675 0.0113 0.1267 0.0427 432 LEU A N 1566 C CA . LEU A 212 ? 1.0407 0.8605 0.8949 0.0255 0.1266 0.0552 432 LEU A CA 1567 C C . LEU A 212 ? 1.1358 0.8990 0.9739 0.0138 0.1213 0.0488 432 LEU A C 1568 O O . LEU A 212 ? 1.1150 0.8660 0.9414 -0.0135 0.1181 0.0439 432 LEU A O 1569 C CB . LEU A 212 ? 1.0017 0.8361 0.8739 0.0236 0.1205 0.0804 432 LEU A CB 1570 C CG . LEU A 212 ? 0.9481 0.8301 0.8409 0.0310 0.1222 0.0925 432 LEU A CG 1571 C CD1 . LEU A 212 ? 0.9197 0.8074 0.8215 0.0187 0.1109 0.1110 432 LEU A CD1 1572 C CD2 . LEU A 212 ? 0.9417 0.8353 0.8548 0.0574 0.1300 0.0974 432 LEU A CD2 1573 N N . HIS A 213 ? 1.1511 0.8801 0.9905 0.0346 0.1204 0.0491 433 HIS A N 1574 C CA . HIS A 213 ? 1.1569 0.8220 0.9795 0.0267 0.1128 0.0456 433 HIS A CA 1575 C C . HIS A 213 ? 1.1642 0.8101 0.9801 0.0040 0.1044 0.0688 433 HIS A C 1576 O O . HIS A 213 ? 1.1038 0.7708 0.9329 0.0115 0.1001 0.0897 433 HIS A O 1577 C CB . HIS A 213 ? 1.1792 0.8162 1.0099 0.0601 0.1107 0.0441 433 HIS A CB 1578 C CG . HIS A 213 ? 1.1695 0.7308 0.9818 0.0564 0.0992 0.0427 433 HIS A CG 1579 N ND1 . HIS A 213 ? 1.2327 0.7523 1.0224 0.0372 0.0977 0.0232 433 HIS A ND1 1580 C CD2 . HIS A 213 ? 1.2035 0.7194 1.0167 0.0709 0.0863 0.0579 433 HIS A CD2 1581 C CE1 . HIS A 213 ? 1.2907 0.7379 1.0664 0.0378 0.0856 0.0277 433 HIS A CE1 1582 N NE2 . HIS A 213 ? 1.3131 0.7554 1.1008 0.0598 0.0778 0.0490 433 HIS A NE2 1583 N N . ASN A 214 ? 1.2247 0.8312 1.0190 -0.0254 0.1022 0.0650 434 ASN A N 1584 C CA . ASN A 214 ? 1.2666 0.8600 1.0471 -0.0527 0.0985 0.0862 434 ASN A CA 1585 C C . ASN A 214 ? 1.2413 0.8990 1.0344 -0.0613 0.1029 0.0927 434 ASN A C 1586 O O . ASN A 214 ? 1.2616 0.9175 1.0455 -0.0729 0.0989 0.1123 434 ASN A O 1587 C CB . ASN A 214 ? 1.3034 0.8546 1.0766 -0.0371 0.0858 0.1111 434 ASN A CB 1588 C CG . ASN A 214 ? 1.3857 0.8571 1.1380 -0.0357 0.0771 0.1104 434 ASN A CG 1589 O OD1 . ASN A 214 ? 1.4116 0.8520 1.1497 -0.0574 0.0810 0.0953 434 ASN A OD1 1590 N ND2 . ASN A 214 ? 1.4290 0.8647 1.1809 -0.0100 0.0628 0.1265 434 ASN A ND2 1591 N N . HIS A 215 ? 1.1603 0.8702 0.9709 -0.0534 0.1090 0.0767 435 HIS A N 1592 C CA . HIS A 215 ? 1.0982 0.8634 0.9204 -0.0609 0.1106 0.0795 435 HIS A CA 1593 C C . HIS A 215 ? 1.0601 0.8378 0.8910 -0.0490 0.1036 0.1036 435 HIS A C 1594 O O . HIS A 215 ? 0.9836 0.7939 0.8190 -0.0578 0.1017 0.1090 435 HIS A O 1595 C CB . HIS A 215 ? 1.0893 0.8639 0.9028 -0.0950 0.1150 0.0701 435 HIS A CB 1596 C CG . HIS A 215 ? 1.2289 0.9796 1.0357 -0.1101 0.1186 0.0490 435 HIS A CG 1597 N ND1 . HIS A 215 ? 1.1960 0.9718 1.0124 -0.1037 0.1191 0.0239 435 HIS A ND1 1598 C CD2 . HIS A 215 ? 1.3434 1.0417 1.1331 -0.1304 0.1194 0.0495 435 HIS A CD2 1599 C CE1 . HIS A 215 ? 1.3298 1.0738 1.1386 -0.1198 0.1195 0.0073 435 HIS A CE1 1600 N NE2 . HIS A 215 ? 1.4201 1.1159 1.2140 -0.1376 0.1204 0.0228 435 HIS A NE2 1601 N N . TYR A 216 ? 1.0456 0.7992 0.8822 -0.0266 0.0980 0.1151 436 TYR A N 1602 C CA . TYR A 216 ? 1.0650 0.8280 0.9128 -0.0157 0.0876 0.1366 436 TYR A CA 1603 C C . TYR A 216 ? 1.0353 0.8016 0.9095 0.0170 0.0840 0.1418 436 TYR A C 1604 O O . TYR A 216 ? 1.1731 0.9073 1.0452 0.0317 0.0853 0.1344 436 TYR A O 1605 C CB . TYR A 216 ? 1.1273 0.8479 0.9459 -0.0332 0.0784 0.1531 436 TYR A CB 1606 C CG . TYR A 216 ? 1.1979 0.9182 1.0233 -0.0190 0.0625 0.1743 436 TYR A CG 1607 C CD1 . TYR A 216 ? 1.2389 0.9367 1.0789 0.0083 0.0521 0.1819 436 TYR A CD1 1608 C CD2 . TYR A 216 ? 1.1375 0.8820 0.9573 -0.0303 0.0559 0.1841 436 TYR A CD2 1609 C CE1 . TYR A 216 ? 1.3055 1.0069 1.1575 0.0231 0.0341 0.1994 436 TYR A CE1 1610 C CE2 . TYR A 216 ? 1.1583 0.9030 0.9855 -0.0164 0.0377 0.2015 436 TYR A CE2 1611 C CZ . TYR A 216 ? 1.2337 0.9573 1.0783 0.0099 0.0261 0.2097 436 TYR A CZ 1612 O OH . TYR A 216 ? 1.2941 1.0191 1.1518 0.0262 0.0045 0.2254 436 TYR A OH 1613 N N . THR A 217 ? 0.9468 0.7531 0.8482 0.0279 0.0794 0.1526 437 THR A N 1614 C CA . THR A 217 ? 0.9962 0.8172 0.9320 0.0566 0.0762 0.1589 437 THR A CA 1615 C C . THR A 217 ? 1.0075 0.8580 0.9671 0.0579 0.0623 0.1764 437 THR A C 1616 O O . THR A 217 ? 0.9992 0.8699 0.9526 0.0401 0.0595 0.1798 437 THR A O 1617 C CB . THR A 217 ? 0.9405 0.7982 0.8990 0.0730 0.0939 0.1454 437 THR A CB 1618 O OG1 . THR A 217 ? 0.9233 0.7993 0.9192 0.0993 0.0928 0.1509 437 THR A OG1 1619 C CG2 . THR A 217 ? 0.9143 0.8192 0.8834 0.0626 0.1000 0.1472 437 THR A CG2 1620 N N . GLN A 218 ? 1.0104 0.8671 1.0014 0.0806 0.0528 0.1848 438 GLN A N 1621 C CA . GLN A 218 ? 1.0422 0.9137 1.0505 0.0807 0.0329 0.2010 438 GLN A CA 1622 C C . GLN A 218 ? 1.0407 0.9546 1.1063 0.1051 0.0327 0.2028 438 GLN A C 1623 O O . GLN A 218 ? 1.1155 1.0225 1.1960 0.1272 0.0393 0.1950 438 GLN A O 1624 C CB . GLN A 218 ? 1.1872 1.0016 1.1618 0.0804 0.0133 0.2116 438 GLN A CB 1625 C CG . GLN A 218 ? 1.3110 1.1242 1.2902 0.0836 -0.0139 0.2286 438 GLN A CG 1626 C CD . GLN A 218 ? 1.3905 1.1616 1.3691 0.1070 -0.0341 0.2373 438 GLN A CD 1627 O OE1 . GLN A 218 ? 1.4407 1.1554 1.3833 0.1068 -0.0332 0.2370 438 GLN A OE1 1628 N NE2 . GLN A 218 ? 1.3543 1.1524 1.3763 0.1279 -0.0541 0.2442 438 GLN A NE2 1629 N N . LYS A 219 ? 1.0139 0.9729 1.1137 0.1006 0.0266 0.2108 439 LYS A N 1630 C CA . LYS A 219 ? 1.0167 1.0228 1.1800 0.1200 0.0244 0.2144 439 LYS A CA 1631 C C . LYS A 219 ? 1.0402 1.0600 1.2263 0.1163 -0.0041 0.2278 439 LYS A C 1632 O O . LYS A 219 ? 0.9885 0.9994 1.1478 0.0955 -0.0147 0.2327 439 LYS A O 1633 C CB . LYS A 219 ? 1.0066 1.0652 1.2011 0.1168 0.0502 0.2099 439 LYS A CB 1634 C CG . LYS A 219 ? 1.0501 1.1052 1.2263 0.1240 0.0789 0.1950 439 LYS A CG 1635 C CD . LYS A 219 ? 1.0267 1.0763 1.2219 0.1541 0.0850 0.1846 439 LYS A CD 1636 C CE . LYS A 219 ? 1.0065 1.0881 1.2106 0.1639 0.1172 0.1713 439 LYS A CE 1637 N NZ . LYS A 219 ? 0.9147 1.0612 1.1657 0.1579 0.1301 0.1809 439 LYS A NZ 1638 N N . SER A 220 ? 1.1329 1.1768 1.3705 0.1380 -0.0173 0.2311 440 SER A N 1639 C CA . SER A 220 ? 1.1680 1.2174 1.4259 0.1399 -0.0519 0.2420 440 SER A CA 1640 C C . SER A 220 ? 1.1525 1.2697 1.4905 0.1463 -0.0551 0.2435 440 SER A C 1641 O O . SER A 220 ? 1.1800 1.3382 1.5635 0.1587 -0.0316 0.2366 440 SER A O 1642 C CB . SER A 220 ? 1.2060 1.2095 1.4471 0.1624 -0.0764 0.2457 440 SER A CB 1643 O OG . SER A 220 ? 1.3096 1.2517 1.4845 0.1568 -0.0668 0.2436 440 SER A OG 1644 N N . LEU A 221 ? 1.1596 1.2907 1.5157 0.1371 -0.0835 0.2514 441 LEU A N 1645 C CA . LEU A 221 ? 1.2227 1.4181 1.6627 0.1434 -0.0916 0.2525 441 LEU A CA 1646 C C . LEU A 221 ? 1.2542 1.4547 1.7170 0.1455 -0.1358 0.2586 441 LEU A C 1647 O O . LEU A 221 ? 1.2027 1.3571 1.6075 0.1359 -0.1599 0.2633 441 LEU A O 1648 C CB . LEU A 221 ? 1.1211 1.3666 1.5960 0.1225 -0.0623 0.2525 441 LEU A CB 1649 C CG . LEU A 221 ? 1.0486 1.3080 1.5286 0.0928 -0.0705 0.2587 441 LEU A CG 1650 C CD1 . LEU A 221 ? 1.0214 1.3241 1.5341 0.0799 -0.0346 0.2602 441 LEU A CD1 1651 C CD2 . LEU A 221 ? 1.0382 1.2426 1.4396 0.0764 -0.0781 0.2584 441 LEU A CD2 1652 N N . SER A 222 ? 1.2202 1.4804 1.7684 0.1587 -0.1446 0.2567 442 SER A N 1653 C CA . SER A 222 ? 1.2023 1.4838 1.7949 0.1652 -0.1882 0.2593 442 SER A CA 1654 C C . SER A 222 ? 1.1147 1.4833 1.8141 0.1633 -0.1802 0.2558 442 SER A C 1655 O O . SER A 222 ? 1.0433 1.4456 1.7636 0.1421 -0.1461 0.2566 442 SER A O 1656 C CB . SER A 222 ? 1.2615 1.5067 1.8390 0.1987 -0.2187 0.2595 442 SER A CB 1657 O OG . SER A 222 ? 1.3262 1.5694 1.9118 0.2225 -0.1922 0.2526 442 SER A OG 1658 N N . LEU A 223 ? 1.1584 1.5636 1.9249 0.1850 -0.2112 0.2523 443 LEU A N 1659 C CA . LEU A 223 ? 1.1730 1.6690 2.0511 0.1806 -0.2070 0.2481 443 LEU A CA 1660 C C . LEU A 223 ? 1.2015 1.7546 2.1511 0.2098 -0.1814 0.2374 443 LEU A C 1661 O O . LEU A 223 ? 1.1557 1.7830 2.1792 0.1980 -0.1505 0.2347 443 LEU A O 1662 C CB . LEU A 223 ? 1.1122 1.6284 2.0351 0.1795 -0.2608 0.2481 443 LEU A CB 1663 C CG . LEU A 223 ? 1.0175 1.5068 1.9003 0.1430 -0.2777 0.2546 443 LEU A CG 1664 C CD1 . LEU A 223 ? 1.0078 1.4057 1.7724 0.1443 -0.2926 0.2591 443 LEU A CD1 1665 C CD2 . LEU A 223 ? 0.9108 1.4435 1.8642 0.1342 -0.3219 0.2514 443 LEU A CD2 1666 N N . SER B 19 ? 1.2476 1.6025 1.7863 -0.2384 0.0284 0.3886 239 SER B N 1667 C CA . SER B 19 ? 1.2826 1.6048 1.7731 -0.2459 0.0344 0.4093 239 SER B CA 1668 C C . SER B 19 ? 1.3147 1.6013 1.7299 -0.2239 0.0293 0.3923 239 SER B C 1669 O O . SER B 19 ? 1.3032 1.5716 1.7082 -0.2076 0.0073 0.3697 239 SER B O 1670 C CB . SER B 19 ? 1.2890 1.5747 1.8169 -0.2607 0.0087 0.4161 239 SER B CB 1671 O OG . SER B 19 ? 1.3813 1.6976 1.9907 -0.2850 0.0150 0.4410 239 SER B OG 1672 N N . VAL B 20 ? 1.3430 1.6253 1.7081 -0.2244 0.0485 0.4062 240 VAL B N 1673 C CA . VAL B 20 ? 1.3071 1.5562 1.6059 -0.2050 0.0459 0.3915 240 VAL B CA 1674 C C . VAL B 20 ? 1.3541 1.5680 1.6140 -0.2122 0.0442 0.4092 240 VAL B C 1675 O O . VAL B 20 ? 1.4689 1.7040 1.7347 -0.2287 0.0595 0.4387 240 VAL B O 1676 C CB . VAL B 20 ? 1.2159 1.5013 1.4998 -0.1905 0.0696 0.3762 240 VAL B CB 1677 C CG1 . VAL B 20 ? 1.1450 1.4013 1.3701 -0.1755 0.0718 0.3665 240 VAL B CG1 1678 C CG2 . VAL B 20 ? 1.0976 1.4008 1.4260 -0.1773 0.0613 0.3550 240 VAL B CG2 1679 N N . PHE B 21 ? 1.3605 1.5274 1.5854 -0.2005 0.0250 0.3942 241 PHE B N 1680 C CA . PHE B 21 ? 1.3740 1.5044 1.5653 -0.2031 0.0209 0.4039 241 PHE B CA 1681 C C . PHE B 21 ? 1.4199 1.5262 1.5528 -0.1830 0.0204 0.3854 241 PHE B C 1682 O O . PHE B 21 ? 1.4658 1.5680 1.5920 -0.1691 0.0101 0.3666 241 PHE B O 1683 C CB . PHE B 21 ? 1.3729 1.4712 1.6016 -0.2122 -0.0057 0.3994 241 PHE B CB 1684 C CG . PHE B 21 ? 1.4052 1.5225 1.7103 -0.2325 -0.0098 0.4158 241 PHE B CG 1685 C CD1 . PHE B 21 ? 1.4155 1.5462 1.7515 -0.2528 0.0030 0.4586 241 PHE B CD1 1686 C CD2 . PHE B 21 ? 1.3648 1.4932 1.7157 -0.2323 -0.0274 0.3929 241 PHE B CD2 1687 C CE1 . PHE B 21 ? 1.3764 1.5274 1.7939 -0.2736 0.0002 0.4804 241 PHE B CE1 1688 C CE2 . PHE B 21 ? 1.3603 1.5071 1.7926 -0.2519 -0.0315 0.4068 241 PHE B CE2 1689 C CZ . PHE B 21 ? 1.3557 1.5118 1.8244 -0.2731 -0.0168 0.4518 241 PHE B CZ 1690 N N . LEU B 22 ? 1.4938 1.5876 1.5893 -0.1824 0.0298 0.3950 242 LEU B N 1691 C CA . LEU B 22 ? 1.4228 1.4948 1.4708 -0.1651 0.0309 0.3789 242 LEU B CA 1692 C C . LEU B 22 ? 1.3850 1.4166 1.4100 -0.1660 0.0192 0.3808 242 LEU B C 1693 O O . LEU B 22 ? 1.4162 1.4466 1.4398 -0.1762 0.0234 0.4016 242 LEU B O 1694 C CB . LEU B 22 ? 1.4514 1.5563 1.4811 -0.1592 0.0543 0.3769 242 LEU B CB 1695 C CG . LEU B 22 ? 1.5190 1.6112 1.5211 -0.1407 0.0580 0.3563 242 LEU B CG 1696 C CD1 . LEU B 22 ? 1.5506 1.6302 1.5698 -0.1273 0.0469 0.3437 242 LEU B CD1 1697 C CD2 . LEU B 22 ? 1.4967 1.6351 1.4985 -0.1366 0.0797 0.3442 242 LEU B CD2 1698 N N . PHE B 23 ? 1.3835 1.3899 1.3935 -0.1555 0.0046 0.3611 243 PHE B N 1699 C CA . PHE B 23 ? 1.4197 1.3926 1.4160 -0.1548 -0.0071 0.3537 243 PHE B CA 1700 C C . PHE B 23 ? 1.4516 1.4081 1.4029 -0.1418 0.0003 0.3472 243 PHE B C 1701 O O . PHE B 23 ? 1.4207 1.3870 1.3543 -0.1304 0.0091 0.3424 243 PHE B O 1702 C CB . PHE B 23 ? 1.2760 1.2444 1.2916 -0.1538 -0.0286 0.3293 243 PHE B CB 1703 C CG . PHE B 23 ? 1.2221 1.2053 1.2917 -0.1660 -0.0394 0.3291 243 PHE B CG 1704 C CD1 . PHE B 23 ? 1.2296 1.1972 1.3519 -0.1792 -0.0527 0.3294 243 PHE B CD1 1705 C CD2 . PHE B 23 ? 1.2366 1.2496 1.3170 -0.1643 -0.0382 0.3291 243 PHE B CD2 1706 C CE1 . PHE B 23 ? 1.2911 1.2723 1.4771 -0.1916 -0.0637 0.3288 243 PHE B CE1 1707 C CE2 . PHE B 23 ? 1.2212 1.2502 1.3575 -0.1759 -0.0490 0.3270 243 PHE B CE2 1708 C CZ . PHE B 23 ? 1.2779 1.2909 1.4677 -0.1902 -0.0612 0.3264 243 PHE B CZ 1709 N N . PRO B 24 ? 1.4149 1.3464 1.3598 -0.1438 -0.0048 0.3480 244 PRO B N 1710 C CA . PRO B 24 ? 1.3589 1.2731 1.2697 -0.1323 -0.0014 0.3378 244 PRO B CA 1711 C C . PRO B 24 ? 1.2903 1.1952 1.1921 -0.1240 -0.0118 0.3132 244 PRO B C 1712 O O . PRO B 24 ? 1.1418 1.0518 1.0658 -0.1277 -0.0261 0.2972 244 PRO B O 1713 C CB . PRO B 24 ? 1.3493 1.2483 1.2660 -0.1395 -0.0041 0.3534 244 PRO B CB 1714 C CG . PRO B 24 ? 1.2938 1.1884 1.2593 -0.1535 -0.0180 0.3635 244 PRO B CG 1715 C CD . PRO B 24 ? 1.3260 1.2488 1.3037 -0.1584 -0.0116 0.3683 244 PRO B CD 1716 N N . PRO B 25 ? 1.2302 1.1291 1.1039 -0.1135 -0.0042 0.3081 245 PRO B N 1717 C CA . PRO B 25 ? 1.2477 1.1482 1.1071 -0.1062 -0.0081 0.2901 245 PRO B CA 1718 C C . PRO B 25 ? 1.2776 1.1622 1.1533 -0.1091 -0.0198 0.2700 245 PRO B C 1719 O O . PRO B 25 ? 1.3016 1.1652 1.2000 -0.1160 -0.0248 0.2790 245 PRO B O 1720 C CB . PRO B 25 ? 1.2308 1.1228 1.0713 -0.0978 0.0051 0.2972 245 PRO B CB 1721 C CG . PRO B 25 ? 1.2186 1.1005 1.0624 -0.1008 0.0112 0.3083 245 PRO B CG 1722 C CD . PRO B 25 ? 1.2472 1.1451 1.1068 -0.1086 0.0102 0.3186 245 PRO B CD 1723 N N . LYS B 26 ? 1.2890 1.1899 1.1586 -0.1038 -0.0243 0.2442 246 LYS B N 1724 C CA . LYS B 26 ? 1.3562 1.2483 1.2549 -0.1045 -0.0367 0.2133 246 LYS B CA 1725 C C . LYS B 26 ? 1.3730 1.2487 1.2589 -0.0979 -0.0289 0.2106 246 LYS B C 1726 O O . LYS B 26 ? 1.4261 1.3249 1.2846 -0.0911 -0.0189 0.2038 246 LYS B O 1727 C CB . LYS B 26 ? 1.5078 1.4441 1.4120 -0.1021 -0.0465 0.1744 246 LYS B CB 1728 C CG . LYS B 26 ? 1.5265 1.4800 1.4616 -0.1089 -0.0614 0.1635 246 LYS B CG 1729 C CD . LYS B 26 ? 1.4589 1.4748 1.3871 -0.1045 -0.0708 0.1224 246 LYS B CD 1730 C CE . LYS B 26 ? 1.4029 1.4649 1.2715 -0.0990 -0.0592 0.1469 246 LYS B CE 1731 N NZ . LYS B 26 ? 1.3103 1.3753 1.1750 -0.1023 -0.0603 0.1807 246 LYS B NZ 1732 N N . PRO B 27 ? 1.3897 1.2300 1.2988 -0.1006 -0.0342 0.2205 247 PRO B N 1733 C CA . PRO B 27 ? 1.3443 1.1657 1.2459 -0.0948 -0.0294 0.2232 247 PRO B CA 1734 C C . PRO B 27 ? 1.3284 1.1679 1.2077 -0.0855 -0.0179 0.2038 247 PRO B C 1735 O O . PRO B 27 ? 1.2785 1.1144 1.1344 -0.0814 -0.0053 0.2201 247 PRO B O 1736 C CB . PRO B 27 ? 1.3393 1.1353 1.2952 -0.0986 -0.0485 0.2155 247 PRO B CB 1737 C CG . PRO B 27 ? 1.3794 1.1709 1.3615 -0.1102 -0.0575 0.2385 247 PRO B CG 1738 C CD . PRO B 27 ? 1.3792 1.1995 1.3325 -0.1110 -0.0483 0.2349 247 PRO B CD 1739 N N . LYS B 28 ? 1.3276 1.1939 1.2187 -0.0827 -0.0215 0.1680 248 LYS B N 1740 C CA . LYS B 28 ? 1.2309 1.1294 1.1002 -0.0760 -0.0075 0.1542 248 LYS B CA 1741 C C . LYS B 28 ? 1.2497 1.1701 1.0794 -0.0756 0.0087 0.1877 248 LYS B C 1742 O O . LYS B 28 ? 1.2453 1.1774 1.0641 -0.0720 0.0224 0.1976 248 LYS B O 1743 C CB . LYS B 28 ? 1.2513 1.1960 1.1362 -0.0738 -0.0130 0.1064 248 LYS B CB 1744 C CG . LYS B 28 ? 1.4219 1.3400 1.3709 -0.0740 -0.0336 0.0707 248 LYS B CG 1745 C CD . LYS B 28 ? 1.4715 1.4169 1.4559 -0.0767 -0.0502 0.0322 248 LYS B CD 1746 C CE . LYS B 28 ? 1.5018 1.4991 1.5191 -0.0697 -0.0545 -0.0372 248 LYS B CE 1747 N NZ . LYS B 28 ? 1.3983 1.4486 1.4378 -0.0703 -0.0677 -0.0856 248 LYS B NZ 1748 N N . ASP B 29 ? 1.2250 1.1491 1.0452 -0.0795 0.0059 0.2076 249 ASP B N 1749 C CA . ASP B 29 ? 1.2345 1.1795 1.0343 -0.0785 0.0169 0.2404 249 ASP B CA 1750 C C . ASP B 29 ? 1.1683 1.0796 0.9747 -0.0759 0.0258 0.2631 249 ASP B C 1751 O O . ASP B 29 ? 1.1876 1.1097 0.9964 -0.0730 0.0361 0.2835 249 ASP B O 1752 C CB . ASP B 29 ? 1.2625 1.2199 1.0609 -0.0823 0.0091 0.2522 249 ASP B CB 1753 C CG . ASP B 29 ? 1.2358 1.2455 1.0261 -0.0837 -0.0006 0.2297 249 ASP B CG 1754 O OD1 . ASP B 29 ? 1.1840 1.2395 0.9589 -0.0810 0.0039 0.2150 249 ASP B OD1 1755 O OD2 . ASP B 29 ? 1.2024 1.2149 1.0037 -0.0878 -0.0125 0.2252 249 ASP B OD2 1756 N N . THR B 30 ? 1.2081 1.0842 1.0240 -0.0774 0.0204 0.2597 250 THR B N 1757 C CA . THR B 30 ? 1.1886 1.0451 1.0100 -0.0744 0.0269 0.2722 250 THR B CA 1758 C C . THR B 30 ? 1.1778 1.0205 1.0062 -0.0698 0.0297 0.2612 250 THR B C 1759 O O . THR B 30 ? 1.2006 1.0369 1.0396 -0.0655 0.0362 0.2657 250 THR B O 1760 C CB . THR B 30 ? 1.1811 1.0234 1.0041 -0.0790 0.0205 0.2769 250 THR B CB 1761 O OG1 . THR B 30 ? 1.2608 1.0850 1.0867 -0.0781 0.0157 0.2713 250 THR B OG1 1762 C CG2 . THR B 30 ? 1.1516 0.9973 0.9794 -0.0870 0.0094 0.2756 250 THR B CG2 1763 N N . LEU B 31 ? 1.1277 0.9671 0.9595 -0.0700 0.0234 0.2420 251 LEU B N 1764 C CA . LEU B 31 ? 1.1255 0.9523 0.9697 -0.0652 0.0247 0.2305 251 LEU B CA 1765 C C . LEU B 31 ? 1.1866 1.0375 1.0350 -0.0622 0.0381 0.2268 251 LEU B C 1766 O O . LEU B 31 ? 1.2948 1.1381 1.1591 -0.0585 0.0412 0.2180 251 LEU B O 1767 C CB . LEU B 31 ? 1.0740 0.8829 0.9356 -0.0657 0.0094 0.2125 251 LEU B CB 1768 C CG . LEU B 31 ? 1.0569 0.8456 0.9247 -0.0710 -0.0055 0.2268 251 LEU B CG 1769 C CD1 . LEU B 31 ? 1.0122 0.7875 0.9168 -0.0734 -0.0236 0.2129 251 LEU B CD1 1770 C CD2 . LEU B 31 ? 1.1125 0.8921 0.9741 -0.0690 -0.0074 0.2415 251 LEU B CD2 1771 N N . MET B 32 ? 1.2542 1.1403 1.0903 -0.0646 0.0459 0.2378 252 MET B N 1772 C CA . MET B 32 ? 1.1744 1.0998 1.0126 -0.0643 0.0600 0.2431 252 MET B CA 1773 C C . MET B 32 ? 1.1853 1.1244 1.0332 -0.0656 0.0698 0.2826 252 MET B C 1774 O O . MET B 32 ? 1.1962 1.1501 1.0345 -0.0678 0.0669 0.3025 252 MET B O 1775 C CB . MET B 32 ? 1.1677 1.1435 0.9876 -0.0662 0.0597 0.2226 252 MET B CB 1776 C CG . MET B 32 ? 1.2461 1.2189 1.0816 -0.0631 0.0540 0.1779 252 MET B CG 1777 S SD . MET B 32 ? 1.3886 1.4366 1.2148 -0.0632 0.0543 0.1355 252 MET B SD 1778 C CE . MET B 32 ? 1.3982 1.4449 1.2634 -0.0572 0.0559 0.0885 252 MET B CE 1779 N N . ILE B 33 ? 1.2178 1.1525 1.0957 -0.0643 0.0796 0.2938 253 ILE B N 1780 C CA . ILE B 33 ? 1.1927 1.1324 1.1077 -0.0653 0.0870 0.3318 253 ILE B CA 1781 C C . ILE B 33 ? 1.1814 1.1692 1.0903 -0.0702 0.0909 0.3724 253 ILE B C 1782 O O . ILE B 33 ? 1.2550 1.2406 1.2049 -0.0706 0.0913 0.4079 253 ILE B O 1783 C CB . ILE B 33 ? 1.2651 1.2037 1.2224 -0.0650 0.0976 0.3350 253 ILE B CB 1784 C CG1 . ILE B 33 ? 1.4244 1.3239 1.3839 -0.0595 0.0905 0.2932 253 ILE B CG1 1785 C CG2 . ILE B 33 ? 1.2104 1.1371 1.2323 -0.0648 0.1001 0.3656 253 ILE B CG2 1786 C CD1 . ILE B 33 ? 1.3156 1.2222 1.2433 -0.0587 0.0871 0.2604 253 ILE B CD1 1787 N N . SER B 34 ? 1.2506 1.2865 1.1155 -0.0733 0.0913 0.3662 254 SER B N 1788 C CA . SER B 34 ? 1.2633 1.3645 1.1165 -0.0784 0.0942 0.4087 254 SER B CA 1789 C C . SER B 34 ? 1.3115 1.4357 1.1246 -0.0785 0.0810 0.3980 254 SER B C 1790 O O . SER B 34 ? 1.3471 1.5123 1.1579 -0.0812 0.0772 0.4374 254 SER B O 1791 C CB . SER B 34 ? 1.2280 1.3996 1.0634 -0.0829 0.1087 0.4118 254 SER B CB 1792 O OG . SER B 34 ? 1.2162 1.4014 1.0133 -0.0802 0.1045 0.3534 254 SER B OG 1793 N N . ARG B 35 ? 1.3028 1.4048 1.0927 -0.0761 0.0722 0.3470 255 ARG B N 1794 C CA . ARG B 35 ? 1.3195 1.4365 1.0850 -0.0767 0.0579 0.3302 255 ARG B CA 1795 C C . ARG B 35 ? 1.3127 1.3873 1.0984 -0.0759 0.0498 0.3546 255 ARG B C 1796 O O . ARG B 35 ? 1.2791 1.3064 1.0956 -0.0735 0.0541 0.3653 255 ARG B O 1797 C CB . ARG B 35 ? 1.3725 1.4632 1.1338 -0.0750 0.0498 0.2738 255 ARG B CB 1798 C CG . ARG B 35 ? 1.5486 1.6880 1.2914 -0.0761 0.0383 0.2386 255 ARG B CG 1799 C CD . ARG B 35 ? 1.5793 1.6781 1.3442 -0.0747 0.0267 0.1877 255 ARG B CD 1800 N NE . ARG B 35 ? 1.6906 1.8405 1.4557 -0.0747 0.0146 0.1412 255 ARG B NE 1801 C CZ . ARG B 35 ? 1.7057 1.9098 1.4732 -0.0716 0.0172 0.0950 255 ARG B CZ 1802 N NH1 . ARG B 35 ? 1.6961 1.9069 1.4640 -0.0692 0.0330 0.0949 255 ARG B NH1 1803 N NH2 . ARG B 35 ? 1.6917 1.9481 1.4680 -0.0706 0.0038 0.0433 255 ARG B NH2 1804 N N . THR B 36 ? 1.2646 1.3611 1.0383 -0.0772 0.0379 0.3581 256 THR B N 1805 C CA . THR B 36 ? 1.2362 1.3043 1.0359 -0.0760 0.0320 0.3825 256 THR B CA 1806 C C . THR B 36 ? 1.3143 1.3448 1.1139 -0.0770 0.0226 0.3524 256 THR B C 1807 O O . THR B 36 ? 1.4445 1.5004 1.2295 -0.0798 0.0114 0.3370 256 THR B O 1808 C CB . THR B 36 ? 1.2693 1.3933 1.0676 -0.0771 0.0240 0.4203 256 THR B CB 1809 O OG1 . THR B 36 ? 1.3424 1.5162 1.1394 -0.0788 0.0324 0.4576 256 THR B OG1 1810 C CG2 . THR B 36 ? 1.2284 1.3239 1.0709 -0.0743 0.0186 0.4473 256 THR B CG2 1811 N N . PRO B 37 ? 1.2221 1.2013 1.0419 -0.0755 0.0268 0.3457 257 PRO B N 1812 C CA . PRO B 37 ? 1.2472 1.2009 1.0683 -0.0788 0.0204 0.3268 257 PRO B CA 1813 C C . PRO B 37 ? 1.3125 1.2737 1.1528 -0.0791 0.0165 0.3424 257 PRO B C 1814 O O . PRO B 37 ? 1.1460 1.1086 1.0149 -0.0742 0.0210 0.3637 257 PRO B O 1815 C CB . PRO B 37 ? 1.1666 1.0821 0.9965 -0.0768 0.0276 0.3177 257 PRO B CB 1816 C CG . PRO B 37 ? 1.1874 1.1038 1.0408 -0.0709 0.0366 0.3355 257 PRO B CG 1817 C CD . PRO B 37 ? 1.1928 1.1453 1.0399 -0.0712 0.0371 0.3558 257 PRO B CD 1818 N N . GLU B 38 ? 1.3732 1.3389 1.2103 -0.0849 0.0071 0.3299 258 GLU B N 1819 C CA . GLU B 38 ? 1.3446 1.3263 1.2014 -0.0861 0.0014 0.3413 258 GLU B CA 1820 C C . GLU B 38 ? 1.3417 1.3133 1.2084 -0.0944 -0.0029 0.3278 258 GLU B C 1821 O O . GLU B 38 ? 1.3432 1.3158 1.2062 -0.1004 -0.0128 0.3099 258 GLU B O 1822 C CB . GLU B 38 ? 1.3365 1.3637 1.1857 -0.0853 -0.0107 0.3517 258 GLU B CB 1823 C CG . GLU B 38 ? 1.4119 1.4670 1.2317 -0.0836 -0.0106 0.3497 258 GLU B CG 1824 C CD . GLU B 38 ? 1.4850 1.6042 1.2885 -0.0838 -0.0240 0.3560 258 GLU B CD 1825 O OE1 . GLU B 38 ? 1.4655 1.6010 1.2851 -0.0842 -0.0351 0.3662 258 GLU B OE1 1826 O OE2 . GLU B 38 ? 1.5685 1.7296 1.3435 -0.0833 -0.0233 0.3495 258 GLU B OE2 1827 N N . VAL B 39 ? 1.3078 1.2751 1.1964 -0.0947 0.0047 0.3353 259 VAL B N 1828 C CA . VAL B 39 ? 1.3333 1.3067 1.2406 -0.1038 0.0028 0.3331 259 VAL B CA 1829 C C . VAL B 39 ? 1.4063 1.4050 1.3285 -0.1073 -0.0125 0.3318 259 VAL B C 1830 O O . VAL B 39 ? 1.4149 1.4296 1.3227 -0.1049 -0.0247 0.3253 259 VAL B O 1831 C CB . VAL B 39 ? 1.2575 1.2417 1.1894 -0.1013 0.0159 0.3383 259 VAL B CB 1832 C CG1 . VAL B 39 ? 1.1784 1.1534 1.0995 -0.1007 0.0300 0.3325 259 VAL B CG1 1833 C CG2 . VAL B 39 ? 1.1907 1.1889 1.1479 -0.0902 0.0141 0.3470 259 VAL B CG2 1834 N N . THR B 40 ? 1.3726 1.3832 1.3245 -0.1132 -0.0112 0.3355 260 THR B N 1835 C CA . THR B 40 ? 1.3517 1.3905 1.3303 -0.1157 -0.0248 0.3351 260 THR B CA 1836 C C . THR B 40 ? 1.3290 1.3776 1.3447 -0.1241 -0.0154 0.3398 260 THR B C 1837 O O . THR B 40 ? 1.2572 1.2961 1.2793 -0.1359 -0.0095 0.3410 260 THR B O 1838 C CB . THR B 40 ? 1.3344 1.3829 1.3129 -0.1217 -0.0449 0.3158 260 THR B CB 1839 O OG1 . THR B 40 ? 1.3559 1.4090 1.2986 -0.1148 -0.0505 0.3065 260 THR B OG1 1840 C CG2 . THR B 40 ? 1.3196 1.4048 1.3245 -0.1220 -0.0610 0.3135 260 THR B CG2 1841 N N . CYS B 41 ? 1.2921 1.3647 1.3376 -0.1183 -0.0139 0.3455 261 CYS B N 1842 C CA . CYS B 41 ? 1.1756 1.2718 1.2636 -0.1263 -0.0071 0.3462 261 CYS B CA 1843 C C . CYS B 41 ? 1.1278 1.2424 1.2415 -0.1305 -0.0283 0.3427 261 CYS B C 1844 O O . CYS B 41 ? 1.1149 1.2504 1.2468 -0.1214 -0.0396 0.3463 261 CYS B O 1845 C CB . CYS B 41 ? 1.1529 1.2704 1.2737 -0.1160 0.0053 0.3457 261 CYS B CB 1846 S SG . CYS B 41 ? 1.1969 1.3508 1.3513 -0.1249 0.0314 0.3388 261 CYS B SG 1847 N N . VAL B 42 ? 1.1638 1.2724 1.2867 -0.1440 -0.0364 0.3357 262 VAL B N 1848 C CA . VAL B 42 ? 1.2522 1.3826 1.4131 -0.1502 -0.0575 0.3244 262 VAL B CA 1849 C C . VAL B 42 ? 1.2872 1.4399 1.5044 -0.1612 -0.0481 0.3323 262 VAL B C 1850 O O . VAL B 42 ? 1.2713 1.4190 1.5097 -0.1764 -0.0349 0.3426 262 VAL B O 1851 C CB . VAL B 42 ? 1.2697 1.3858 1.4333 -0.1585 -0.0748 0.3041 262 VAL B CB 1852 C CG1 . VAL B 42 ? 1.2052 1.3441 1.4292 -0.1686 -0.0949 0.2872 262 VAL B CG1 1853 C CG2 . VAL B 42 ? 1.2377 1.3548 1.3515 -0.1461 -0.0868 0.2889 262 VAL B CG2 1854 N N . VAL B 43 ? 1.3091 1.4917 1.5541 -0.1537 -0.0553 0.3315 263 VAL B N 1855 C CA . VAL B 43 ? 1.3200 1.5334 1.6270 -0.1624 -0.0502 0.3337 263 VAL B CA 1856 C C . VAL B 43 ? 1.3458 1.5733 1.6952 -0.1719 -0.0774 0.3186 263 VAL B C 1857 O O . VAL B 43 ? 1.3494 1.5921 1.6899 -0.1617 -0.1036 0.3057 263 VAL B O 1858 C CB . VAL B 43 ? 1.3069 1.5465 1.6367 -0.1470 -0.0477 0.3364 263 VAL B CB 1859 C CG1 . VAL B 43 ? 1.3086 1.5837 1.7014 -0.1548 -0.0323 0.3358 263 VAL B CG1 1860 C CG2 . VAL B 43 ? 1.2916 1.5151 1.5877 -0.1335 -0.0312 0.3415 263 VAL B CG2 1861 N N . VAL B 44 ? 1.3414 1.5700 1.7407 -0.1915 -0.0729 0.3211 264 VAL B N 1862 C CA . VAL B 44 ? 1.2863 1.5325 1.7514 -0.2021 -0.0988 0.3023 264 VAL B CA 1863 C C . VAL B 44 ? 1.2621 1.5463 1.7998 -0.2111 -0.0922 0.3097 264 VAL B C 1864 O O . VAL B 44 ? 1.2262 1.5253 1.7690 -0.2138 -0.0625 0.3303 264 VAL B O 1865 C CB . VAL B 44 ? 1.2728 1.4912 1.7670 -0.2176 -0.1097 0.2928 264 VAL B CB 1866 C CG1 . VAL B 44 ? 1.2180 1.4016 1.6445 -0.2085 -0.1101 0.2865 264 VAL B CG1 1867 C CG2 . VAL B 44 ? 1.2104 1.4257 1.7640 -0.2408 -0.0893 0.3241 264 VAL B CG2 1868 N N . ASP B 45 ? 1.2625 1.5701 1.8578 -0.2147 -0.1199 0.2881 265 ASP B N 1869 C CA . ASP B 45 ? 1.2638 1.6093 1.9401 -0.2246 -0.1173 0.2915 265 ASP B CA 1870 C C . ASP B 45 ? 1.2878 1.6652 1.9636 -0.2095 -0.1087 0.2974 265 ASP B C 1871 O O . ASP B 45 ? 1.2628 1.6647 1.9791 -0.2171 -0.0821 0.3113 265 ASP B O 1872 C CB . ASP B 45 ? 1.2581 1.6042 1.9862 -0.2493 -0.0887 0.3193 265 ASP B CB 1873 C CG . ASP B 45 ? 1.3370 1.6546 2.1070 -0.2674 -0.1029 0.3174 265 ASP B CG 1874 O OD1 . ASP B 45 ? 1.4002 1.7201 2.2180 -0.2681 -0.1372 0.2832 265 ASP B OD1 1875 O OD2 . ASP B 45 ? 1.3057 1.6028 2.0681 -0.2805 -0.0815 0.3489 265 ASP B OD2 1876 N N . VAL B 46 ? 1.3552 1.7384 1.9927 -0.1884 -0.1316 0.2880 266 VAL B N 1877 C CA . VAL B 46 ? 1.3742 1.7863 2.0303 -0.1719 -0.1326 0.2948 266 VAL B CA 1878 C C . VAL B 46 ? 1.4404 1.8949 2.1630 -0.1710 -0.1645 0.2804 266 VAL B C 1879 O O . VAL B 46 ? 1.4699 1.9372 2.1809 -0.1676 -0.2002 0.2638 266 VAL B O 1880 C CB . VAL B 46 ? 1.3380 1.7361 1.9289 -0.1501 -0.1401 0.3060 266 VAL B CB 1881 C CG1 . VAL B 46 ? 1.3234 1.7517 1.9561 -0.1328 -0.1516 0.3157 266 VAL B CG1 1882 C CG2 . VAL B 46 ? 1.3132 1.6759 1.8546 -0.1494 -0.1066 0.3171 266 VAL B CG2 1883 N N . SER B 47 ? 1.4493 1.9334 2.2427 -0.1736 -0.1514 0.2832 267 SER B N 1884 C CA . SER B 47 ? 1.5133 2.0401 2.3843 -0.1749 -0.1781 0.2696 267 SER B CA 1885 C C . SER B 47 ? 1.6047 2.1559 2.4621 -0.1536 -0.2208 0.2691 267 SER B C 1886 O O . SER B 47 ? 1.6124 2.1560 2.4321 -0.1356 -0.2210 0.2889 267 SER B O 1887 C CB . SER B 47 ? 1.4519 2.0097 2.3996 -0.1789 -0.1506 0.2736 267 SER B CB 1888 O OG . SER B 47 ? 1.4404 1.9871 2.3765 -0.1935 -0.1055 0.2843 267 SER B OG 1889 N N . HIS B 48 ? 1.6744 2.2600 2.5667 -0.1566 -0.2583 0.2483 268 HIS B N 1890 C CA . HIS B 48 ? 1.7001 2.3314 2.6018 -0.1385 -0.3004 0.2522 268 HIS B CA 1891 C C . HIS B 48 ? 1.7318 2.3864 2.7189 -0.1317 -0.2929 0.2644 268 HIS B C 1892 O O . HIS B 48 ? 1.7198 2.4077 2.7301 -0.1142 -0.3225 0.2795 268 HIS B O 1893 C CB . HIS B 48 ? 1.6942 2.3682 2.6164 -0.1440 -0.3434 0.2178 268 HIS B CB 1894 C CG . HIS B 48 ? 1.6795 2.3538 2.5195 -0.1423 -0.3620 0.2001 268 HIS B CG 1895 N ND1 . HIS B 48 ? 1.6851 2.4197 2.4924 -0.1300 -0.4068 0.1889 268 HIS B ND1 1896 C CD2 . HIS B 48 ? 1.6553 2.2860 2.4435 -0.1512 -0.3422 0.1888 268 HIS B CD2 1897 C CE1 . HIS B 48 ? 1.6919 2.4238 2.4297 -0.1312 -0.4113 0.1670 268 HIS B CE1 1898 N NE2 . HIS B 48 ? 1.6794 2.3439 2.4085 -0.1436 -0.3733 0.1660 268 HIS B NE2 1899 N N . GLU B 49 ? 1.7732 2.4165 2.8107 -0.1460 -0.2533 0.2587 269 GLU B N 1900 C CA . GLU B 49 ? 1.7892 2.4548 2.9045 -0.1403 -0.2325 0.2634 269 GLU B CA 1901 C C . GLU B 49 ? 1.8884 2.5321 2.9752 -0.1222 -0.2115 0.2815 269 GLU B C 1902 O O . GLU B 49 ? 1.9675 2.6315 3.1063 -0.1033 -0.2268 0.2902 269 GLU B O 1903 C CB . GLU B 49 ? 1.6775 2.3526 2.8484 -0.1638 -0.1926 0.2520 269 GLU B CB 1904 C CG . GLU B 49 ? 1.6346 2.3609 2.9177 -0.1705 -0.2015 0.2375 269 GLU B CG 1905 C CD . GLU B 49 ? 1.6103 2.3595 2.9510 -0.1911 -0.1521 0.2358 269 GLU B CD 1906 O OE1 . GLU B 49 ? 1.5645 2.3571 3.0010 -0.2020 -0.1542 0.2249 269 GLU B OE1 1907 O OE2 . GLU B 49 ? 1.5456 2.2777 2.8371 -0.1970 -0.1110 0.2464 269 GLU B OE2 1908 N N . ASP B 50 ? 1.8988 2.5027 2.9153 -0.1278 -0.1788 0.2859 270 ASP B N 1909 C CA . ASP B 50 ? 1.8594 2.4408 2.8507 -0.1120 -0.1583 0.2962 270 ASP B CA 1910 C C . ASP B 50 ? 1.8522 2.3909 2.7434 -0.1065 -0.1682 0.3138 270 ASP B C 1911 O O . ASP B 50 ? 1.7473 2.2540 2.5774 -0.1162 -0.1408 0.3115 270 ASP B O 1912 C CB . ASP B 50 ? 1.8603 2.4465 2.8641 -0.1222 -0.1064 0.2815 270 ASP B CB 1913 C CG . ASP B 50 ? 1.8954 2.5352 3.0046 -0.1217 -0.0909 0.2623 270 ASP B CG 1914 O OD1 . ASP B 50 ? 1.8835 2.5474 3.0644 -0.1085 -0.1206 0.2612 270 ASP B OD1 1915 O OD2 . ASP B 50 ? 1.8984 2.5637 3.0205 -0.1347 -0.0484 0.2492 270 ASP B OD2 1916 N N . PRO B 51 ? 1.8698 2.4149 2.7466 -0.0910 -0.2075 0.3348 271 PRO B N 1917 C CA . PRO B 51 ? 1.8001 2.3227 2.5829 -0.0886 -0.2225 0.3509 271 PRO B CA 1918 C C . PRO B 51 ? 1.6586 2.1438 2.4012 -0.0781 -0.2034 0.3697 271 PRO B C 1919 O O . PRO B 51 ? 1.5728 2.0346 2.2344 -0.0803 -0.2033 0.3773 271 PRO B O 1920 C CB . PRO B 51 ? 1.8692 2.4354 2.6633 -0.0769 -0.2718 0.3711 271 PRO B CB 1921 C CG . PRO B 51 ? 1.8583 2.4503 2.7563 -0.0650 -0.2803 0.3797 271 PRO B CG 1922 C CD . PRO B 51 ? 1.8109 2.3919 2.7651 -0.0740 -0.2387 0.3497 271 PRO B CD 1923 N N . GLU B 52 ? 1.6030 2.0866 2.4118 -0.0663 -0.1887 0.3720 272 GLU B N 1924 C CA . GLU B 52 ? 1.5326 1.9850 2.3315 -0.0541 -0.1744 0.3853 272 GLU B CA 1925 C C . GLU B 52 ? 1.4888 1.9114 2.2450 -0.0635 -0.1310 0.3600 272 GLU B C 1926 O O . GLU B 52 ? 1.4557 1.8944 2.2433 -0.0722 -0.1034 0.3321 272 GLU B O 1927 C CB . GLU B 52 ? 1.5034 1.9710 2.4120 -0.0351 -0.1834 0.3931 272 GLU B CB 1928 C CG . GLU B 52 ? 1.5426 2.0109 2.4669 -0.0195 -0.2206 0.4436 272 GLU B CG 1929 C CD . GLU B 52 ? 1.5443 2.0497 2.4355 -0.0220 -0.2622 0.4733 272 GLU B CD 1930 O OE1 . GLU B 52 ? 1.4825 2.0262 2.4437 -0.0181 -0.2857 0.4738 272 GLU B OE1 1931 O OE2 . GLU B 52 ? 1.5513 2.0549 2.3490 -0.0272 -0.2721 0.4930 272 GLU B OE2 1932 N N . VAL B 53 ? 1.5029 1.8901 2.1872 -0.0620 -0.1264 0.3733 273 VAL B N 1933 C CA . VAL B 53 ? 1.3908 1.7485 2.0188 -0.0702 -0.0920 0.3560 273 VAL B CA 1934 C C . VAL B 53 ? 1.4060 1.7346 2.0253 -0.0563 -0.0886 0.3685 273 VAL B C 1935 O O . VAL B 53 ? 1.2655 1.5820 1.8561 -0.0501 -0.1116 0.4008 273 VAL B O 1936 C CB . VAL B 53 ? 1.3800 1.7216 1.9241 -0.0875 -0.0923 0.3554 273 VAL B CB 1937 C CG1 . VAL B 53 ? 1.3816 1.6898 1.8647 -0.0935 -0.0642 0.3479 273 VAL B CG1 1938 C CG2 . VAL B 53 ? 1.3484 1.7155 1.9210 -0.1036 -0.0905 0.3398 273 VAL B CG2 1939 N N . LYS B 54 ? 1.4660 1.7922 2.1139 -0.0524 -0.0594 0.3410 274 LYS B N 1940 C CA . LYS B 54 ? 1.4558 1.7605 2.1292 -0.0379 -0.0533 0.3390 274 LYS B CA 1941 C C . LYS B 54 ? 1.4549 1.7390 2.0550 -0.0459 -0.0244 0.3191 274 LYS B C 1942 O O . LYS B 54 ? 1.4047 1.7097 1.9831 -0.0574 0.0010 0.2935 274 LYS B O 1943 C CB . LYS B 54 ? 1.3925 1.7259 2.1837 -0.0236 -0.0464 0.3090 274 LYS B CB 1944 C CG . LYS B 54 ? 1.3311 1.6481 2.2085 -0.0038 -0.0653 0.3239 274 LYS B CG 1945 C CD . LYS B 54 ? 1.3060 1.6145 2.2144 0.0048 -0.0417 0.2834 274 LYS B CD 1946 C CE . LYS B 54 ? 1.2924 1.5636 2.2448 0.0173 -0.0622 0.3162 274 LYS B CE 1947 N NZ . LYS B 54 ? 1.2494 1.5179 2.2781 0.0300 -0.0465 0.2686 274 LYS B NZ 1948 N N . PHE B 55 ? 1.4204 1.6693 1.9862 -0.0406 -0.0286 0.3351 275 PHE B N 1949 C CA . PHE B 55 ? 1.3911 1.6190 1.8842 -0.0478 -0.0064 0.3203 275 PHE B CA 1950 C C . PHE B 55 ? 1.4534 1.6779 1.9894 -0.0355 0.0086 0.2921 275 PHE B C 1951 O O . PHE B 55 ? 1.5548 1.7744 2.1731 -0.0203 -0.0044 0.2960 275 PHE B O 1952 C CB . PHE B 55 ? 1.3190 1.5131 1.7323 -0.0533 -0.0197 0.3516 275 PHE B CB 1953 C CG . PHE B 55 ? 1.3448 1.5467 1.7139 -0.0654 -0.0345 0.3664 275 PHE B CG 1954 C CD1 . PHE B 55 ? 1.3583 1.5561 1.6735 -0.0813 -0.0219 0.3536 275 PHE B CD1 1955 C CD2 . PHE B 55 ? 1.2911 1.5093 1.6808 -0.0610 -0.0635 0.3931 275 PHE B CD2 1956 C CE1 . PHE B 55 ? 1.3818 1.5868 1.6743 -0.0921 -0.0382 0.3596 275 PHE B CE1 1957 C CE2 . PHE B 55 ? 1.3191 1.5529 1.6738 -0.0712 -0.0794 0.3964 275 PHE B CE2 1958 C CZ . PHE B 55 ? 1.3814 1.6061 1.6923 -0.0865 -0.0668 0.3758 275 PHE B CZ 1959 N N . ASN B 56 ? 1.4818 1.7120 1.9684 -0.0422 0.0336 0.2646 276 ASN B N 1960 C CA . ASN B 56 ? 1.5095 1.7446 2.0267 -0.0314 0.0482 0.2281 276 ASN B CA 1961 C C . ASN B 56 ? 1.5356 1.7581 1.9624 -0.0407 0.0634 0.2230 276 ASN B C 1962 O O . ASN B 56 ? 1.5098 1.7714 1.9063 -0.0489 0.0852 0.1986 276 ASN B O 1963 C CB . ASN B 56 ? 1.5437 1.8385 2.1342 -0.0249 0.0668 0.1762 276 ASN B CB 1964 C CG . ASN B 56 ? 1.5965 1.8993 2.3093 -0.0087 0.0500 0.1696 276 ASN B CG 1965 O OD1 . ASN B 56 ? 1.5759 1.9046 2.3239 -0.0109 0.0455 0.1746 276 ASN B OD1 1966 N ND2 . ASN B 56 ? 1.5618 1.8418 2.3507 0.0075 0.0383 0.1608 276 ASN B ND2 1967 N N . TRP B 57 ? 1.4835 1.6588 1.8690 -0.0402 0.0519 0.2489 277 TRP B N 1968 C CA . TRP B 57 ? 1.3625 1.5258 1.6765 -0.0464 0.0644 0.2404 277 TRP B CA 1969 C C . TRP B 57 ? 1.3280 1.4953 1.6883 -0.0327 0.0711 0.2038 277 TRP B C 1970 O O . TRP B 57 ? 1.3056 1.4525 1.7385 -0.0200 0.0580 0.2072 277 TRP B O 1971 C CB . TRP B 57 ? 1.3027 1.4207 1.5453 -0.0541 0.0522 0.2775 277 TRP B CB 1972 C CG . TRP B 57 ? 1.2271 1.3304 1.4609 -0.0576 0.0320 0.3143 277 TRP B CG 1973 C CD1 . TRP B 57 ? 1.2219 1.3295 1.5141 -0.0490 0.0151 0.3333 277 TRP B CD1 1974 C CD2 . TRP B 57 ? 1.2374 1.3251 1.4029 -0.0698 0.0236 0.3348 277 TRP B CD2 1975 N NE1 . TRP B 57 ? 1.2150 1.3195 1.4698 -0.0554 -0.0027 0.3645 277 TRP B NE1 1976 C CE2 . TRP B 57 ? 1.1883 1.2809 1.3683 -0.0676 0.0025 0.3606 277 TRP B CE2 1977 C CE3 . TRP B 57 ? 1.1784 1.2526 1.2804 -0.0817 0.0299 0.3324 277 TRP B CE3 1978 C CZ2 . TRP B 57 ? 1.1394 1.2305 1.2701 -0.0761 -0.0115 0.3741 277 TRP B CZ2 1979 C CZ3 . TRP B 57 ? 1.1428 1.2062 1.2083 -0.0902 0.0153 0.3466 277 TRP B CZ3 1980 C CH2 . TRP B 57 ? 1.1584 1.2334 1.2369 -0.0868 -0.0046 0.3624 277 TRP B CH2 1981 N N . TYR B 58 ? 1.2738 1.4737 1.5991 -0.0358 0.0898 0.1701 278 TYR B N 1982 C CA . TYR B 58 ? 1.2622 1.4741 1.6157 -0.0244 0.0963 0.1266 278 TYR B CA 1983 C C . TYR B 58 ? 1.2927 1.4786 1.5557 -0.0332 0.0975 0.1434 278 TYR B C 1984 O O . TYR B 58 ? 1.2276 1.3995 1.4158 -0.0478 0.0971 0.1790 278 TYR B O 1985 C CB . TYR B 58 ? 1.2592 1.5520 1.6425 -0.0201 0.1167 0.0665 278 TYR B CB 1986 C CG . TYR B 58 ? 1.3041 1.6385 1.7609 -0.0159 0.1210 0.0483 278 TYR B CG 1987 C CD1 . TYR B 58 ? 1.3541 1.6801 1.7893 -0.0275 0.1173 0.0909 278 TYR B CD1 1988 C CD2 . TYR B 58 ? 1.3358 1.7226 1.8924 0.0004 0.1278 -0.0174 278 TYR B CD2 1989 C CE1 . TYR B 58 ? 1.3343 1.6994 1.8413 -0.0236 0.1202 0.0746 278 TYR B CE1 1990 C CE2 . TYR B 58 ? 1.3120 1.7396 1.9448 0.0052 0.1316 -0.0372 278 TYR B CE2 1991 C CZ . TYR B 58 ? 1.3030 1.7184 1.9077 -0.0072 0.1279 0.0121 278 TYR B CZ 1992 O OH . TYR B 58 ? 1.2344 1.6891 1.9152 -0.0031 0.1303 -0.0043 278 TYR B OH 1993 N N . VAL B 59 ? 1.3822 1.5600 1.6647 -0.0236 0.0966 0.1163 279 VAL B N 1994 C CA . VAL B 59 ? 1.4968 1.6677 1.7035 -0.0299 0.0997 0.1185 279 VAL B CA 1995 C C . VAL B 59 ? 1.5831 1.8197 1.8087 -0.0220 0.1120 0.0569 279 VAL B C 1996 O O . VAL B 59 ? 1.5188 1.7624 1.8271 -0.0067 0.1087 0.0116 279 VAL B O 1997 C CB . VAL B 59 ? 1.4453 1.5510 1.6440 -0.0278 0.0862 0.1449 279 VAL B CB 1998 C CG1 . VAL B 59 ? 1.3175 1.3798 1.4905 -0.0357 0.0752 0.1998 279 VAL B CG1 1999 C CG2 . VAL B 59 ? 1.3449 1.4394 1.6384 -0.0122 0.0800 0.1156 279 VAL B CG2 2000 N N . ASP B 60 ? 1.5711 1.8640 1.7289 -0.0327 0.1252 0.0548 280 ASP B N 2001 C CA . ASP B 60 ? 1.5683 1.9479 1.7305 -0.0267 0.1383 -0.0039 280 ASP B CA 2002 C C . ASP B 60 ? 1.5823 2.0250 1.8298 -0.0158 0.1491 -0.0588 280 ASP B C 2003 O O . ASP B 60 ? 1.5416 2.0421 1.8425 -0.0018 0.1536 -0.1295 280 ASP B O 2004 C CB . ASP B 60 ? 1.4537 1.8195 1.6313 -0.0151 0.1290 -0.0388 280 ASP B CB 2005 C CG . ASP B 60 ? 1.4338 1.7786 1.5193 -0.0258 0.1236 -0.0016 280 ASP B CG 2006 O OD1 . ASP B 60 ? 1.3703 1.6920 1.3913 -0.0416 0.1234 0.0568 280 ASP B OD1 2007 O OD2 . ASP B 60 ? 1.4408 1.7939 1.5283 -0.0179 0.1176 -0.0335 280 ASP B OD2 2008 N N . GLY B 61 ? 1.6155 2.0497 1.8834 -0.0213 0.1516 -0.0315 281 GLY B N 2009 C CA . GLY B 61 ? 1.6921 2.1848 2.0474 -0.0115 0.1613 -0.0795 281 GLY B CA 2010 C C . GLY B 61 ? 1.6816 2.1508 2.1668 0.0101 0.1485 -0.1263 281 GLY B C 2011 O O . GLY B 61 ? 1.6502 2.1877 2.2199 0.0229 0.1573 -0.1946 281 GLY B O 2012 N N . VAL B 62 ? 1.6555 2.0340 2.1649 0.0138 0.1277 -0.0894 282 VAL B N 2013 C CA . VAL B 62 ? 1.5642 1.9073 2.2080 0.0314 0.1110 -0.1109 282 VAL B CA 2014 C C . VAL B 62 ? 1.5295 1.7912 2.1724 0.0255 0.0926 -0.0299 282 VAL B C 2015 O O . VAL B 62 ? 1.4830 1.6990 2.0331 0.0132 0.0885 0.0249 282 VAL B O 2016 C CB . VAL B 62 ? 1.5112 1.8496 2.2025 0.0432 0.1048 -0.1587 282 VAL B CB 2017 C CG1 . VAL B 62 ? 1.4556 1.7254 2.2686 0.0542 0.0823 -0.1415 282 VAL B CG1 2018 C CG2 . VAL B 62 ? 1.4436 1.8804 2.1866 0.0556 0.1183 -0.2584 282 VAL B CG2 2019 N N . GLU B 63 ? 1.5689 1.8216 2.3193 0.0349 0.0806 -0.0254 283 GLU B N 2020 C CA . GLU B 63 ? 1.6075 1.8167 2.3503 0.0283 0.0653 0.0470 283 GLU B CA 2021 C C . GLU B 63 ? 1.5837 1.7256 2.3602 0.0299 0.0420 0.1082 283 GLU B C 2022 O O . GLU B 63 ? 1.5812 1.7087 2.4818 0.0431 0.0289 0.0975 283 GLU B O 2023 C CB . GLU B 63 ? 1.6689 1.9160 2.5081 0.0367 0.0634 0.0249 283 GLU B CB 2024 C CG . GLU B 63 ? 1.7318 1.9537 2.5667 0.0307 0.0471 0.0903 283 GLU B CG 2025 C CD . GLU B 63 ? 1.7504 1.9637 2.4427 0.0109 0.0535 0.1341 283 GLU B CD 2026 O OE1 . GLU B 63 ? 1.6697 1.8843 2.2676 0.0014 0.0680 0.1263 283 GLU B OE1 2027 O OE2 . GLU B 63 ? 1.8012 2.0081 2.4847 0.0053 0.0415 0.1752 283 GLU B OE2 2028 N N . VAL B 64 ? 1.5888 1.6967 2.2649 0.0164 0.0365 0.1718 284 VAL B N 2029 C CA . VAL B 64 ? 1.6113 1.6753 2.3131 0.0161 0.0157 0.2380 284 VAL B CA 2030 C C . VAL B 64 ? 1.5945 1.6560 2.2471 0.0072 0.0025 0.2992 284 VAL B C 2031 O O . VAL B 64 ? 1.3626 1.4417 1.9332 -0.0026 0.0105 0.2946 284 VAL B O 2032 C CB . VAL B 64 ? 1.6717 1.7016 2.3283 0.0118 0.0171 0.2549 284 VAL B CB 2033 C CG1 . VAL B 64 ? 1.5642 1.5686 2.3379 0.0200 0.0001 0.2869 284 VAL B CG1 2034 C CG2 . VAL B 64 ? 1.5793 1.6228 2.2007 0.0129 0.0350 0.1928 284 VAL B CG2 2035 N N . HIS B 65 ? 1.5924 1.6380 2.3010 0.0102 -0.0189 0.3572 285 HIS B N 2036 C CA . HIS B 65 ? 1.5257 1.5838 2.2168 0.0056 -0.0377 0.4139 285 HIS B CA 2037 C C . HIS B 65 ? 1.5174 1.5661 2.1683 -0.0010 -0.0511 0.4836 285 HIS B C 2038 O O . HIS B 65 ? 1.4953 1.5411 2.2333 0.0042 -0.0680 0.5316 285 HIS B O 2039 C CB . HIS B 65 ? 1.3889 1.4625 2.2135 0.0178 -0.0553 0.4200 285 HIS B CB 2040 C CG . HIS B 65 ? 1.3303 1.4095 2.2629 0.0310 -0.0451 0.3519 285 HIS B CG 2041 N ND1 . HIS B 65 ? 1.2728 1.3859 2.2353 0.0357 -0.0356 0.2987 285 HIS B ND1 2042 C CD2 . HIS B 65 ? 1.2690 1.3322 2.2903 0.0405 -0.0426 0.3218 285 HIS B CD2 2043 C CE1 . HIS B 65 ? 1.2679 1.3918 2.3302 0.0485 -0.0272 0.2353 285 HIS B CE1 2044 N NE2 . HIS B 65 ? 1.2592 1.3512 2.3615 0.0520 -0.0327 0.2457 285 HIS B NE2 2045 N N . ASN B 66 ? 1.5047 1.5551 2.0294 -0.0130 -0.0435 0.4887 286 ASN B N 2046 C CA . ASN B 66 ? 1.4768 1.5302 1.9431 -0.0204 -0.0493 0.5389 286 ASN B CA 2047 C C . ASN B 66 ? 1.4375 1.5043 1.7825 -0.0313 -0.0446 0.5258 286 ASN B C 2048 O O . ASN B 66 ? 1.5196 1.5942 1.7934 -0.0384 -0.0438 0.5449 286 ASN B O 2049 C CB . ASN B 66 ? 1.4426 1.4673 1.9134 -0.0202 -0.0358 0.5288 286 ASN B CB 2050 C CG . ASN B 66 ? 1.3695 1.3748 1.8084 -0.0197 -0.0154 0.4601 286 ASN B CG 2051 O OD1 . ASN B 66 ? 1.3042 1.3107 1.8067 -0.0117 -0.0109 0.4183 286 ASN B OD1 2052 N ND2 . ASN B 66 ? 1.3885 1.3842 1.7311 -0.0279 -0.0039 0.4475 286 ASN B ND2 2053 N N . ALA B 67 ? 1.3064 1.3787 1.6380 -0.0327 -0.0408 0.4892 287 ALA B N 2054 C CA . ALA B 67 ? 1.2991 1.3885 1.5488 -0.0426 -0.0436 0.4817 287 ALA B CA 2055 C C . ALA B 67 ? 1.3447 1.4745 1.5896 -0.0434 -0.0680 0.5273 287 ALA B C 2056 O O . ALA B 67 ? 1.2818 1.4290 1.5994 -0.0363 -0.0838 0.5551 287 ALA B O 2057 C CB . ALA B 67 ? 1.3073 1.3998 1.5687 -0.0446 -0.0355 0.4423 287 ALA B CB 2058 N N . LYS B 68 ? 1.4314 1.5820 1.5950 -0.0512 -0.0722 0.5327 288 LYS B N 2059 C CA . LYS B 68 ? 1.4458 1.6517 1.5822 -0.0536 -0.0951 0.5588 288 LYS B CA 2060 C C . LYS B 68 ? 1.5240 1.7405 1.6519 -0.0580 -0.1021 0.5231 288 LYS B C 2061 O O . LYS B 68 ? 1.4978 1.6804 1.6401 -0.0604 -0.0868 0.4863 288 LYS B O 2062 C CB . LYS B 68 ? 1.4160 1.6506 1.4730 -0.0596 -0.0946 0.5640 288 LYS B CB 2063 C CG . LYS B 68 ? 1.4536 1.7326 1.5167 -0.0576 -0.1042 0.6267 288 LYS B CG 2064 C CD . LYS B 68 ? 1.4705 1.8221 1.5344 -0.0567 -0.1324 0.6631 288 LYS B CD 2065 C CE . LYS B 68 ? 1.4456 1.8654 1.4890 -0.0584 -0.1414 0.7275 288 LYS B CE 2066 N NZ . LYS B 68 ? 1.4334 1.9317 1.4826 -0.0568 -0.1719 0.7700 288 LYS B NZ 2067 N N . THR B 69 ? 1.5606 1.8311 1.6675 -0.0599 -0.1252 0.5344 289 THR B N 2068 C CA . THR B 69 ? 1.5053 1.7914 1.6249 -0.0637 -0.1366 0.5053 289 THR B CA 2069 C C . THR B 69 ? 1.5608 1.9061 1.6290 -0.0688 -0.1585 0.4921 289 THR B C 2070 O O . THR B 69 ? 1.5510 1.9493 1.6374 -0.0657 -0.1840 0.5106 289 THR B O 2071 C CB . THR B 69 ? 1.4772 1.7679 1.6833 -0.0556 -0.1467 0.5270 289 THR B CB 2072 O OG1 . THR B 69 ? 1.4055 1.6462 1.6583 -0.0526 -0.1227 0.5085 289 THR B OG1 2073 C CG2 . THR B 69 ? 1.4642 1.7867 1.6911 -0.0587 -0.1644 0.5079 289 THR B CG2 2074 N N . LYS B 70 ? 1.6716 2.0101 1.6846 -0.0758 -0.1499 0.4544 290 LYS B N 2075 C CA . LYS B 70 ? 1.8395 2.2404 1.7990 -0.0789 -0.1670 0.4312 290 LYS B CA 2076 C C . LYS B 70 ? 1.9411 2.4331 1.8946 -0.0757 -0.1997 0.4456 290 LYS B C 2077 O O . LYS B 70 ? 1.9663 2.4690 1.9665 -0.0740 -0.2158 0.4527 290 LYS B O 2078 C CB . LYS B 70 ? 1.7443 2.1178 1.6935 -0.0877 -0.1611 0.3694 290 LYS B CB 2079 C CG . LYS B 70 ? 1.6641 2.0126 1.5716 -0.0896 -0.1433 0.3508 290 LYS B CG 2080 C CD . LYS B 70 ? 1.6731 2.0359 1.5729 -0.0957 -0.1525 0.2895 290 LYS B CD 2081 C CE . LYS B 70 ? 1.6099 1.9044 1.5529 -0.1047 -0.1430 0.2638 290 LYS B CE 2082 N NZ . LYS B 70 ? 1.4890 1.8032 1.4760 -0.1117 -0.1636 0.2243 290 LYS B NZ 2083 N N . PRO B 71 ? 1.9928 2.5596 1.8879 -0.0750 -0.2096 0.4469 291 PRO B N 2084 C CA . PRO B 71 ? 1.9650 2.6387 1.8414 -0.0718 -0.2415 0.4633 291 PRO B CA 2085 C C . PRO B 71 ? 1.8767 2.5799 1.7760 -0.0740 -0.2656 0.4100 291 PRO B C 2086 O O . PRO B 71 ? 1.8494 2.5667 1.7931 -0.0710 -0.2847 0.4335 291 PRO B O 2087 C CB . PRO B 71 ? 2.0116 2.7599 1.8145 -0.0728 -0.2390 0.4512 291 PRO B CB 2088 C CG . PRO B 71 ? 2.0163 2.6919 1.8094 -0.0745 -0.2061 0.4598 291 PRO B CG 2089 C CD . PRO B 71 ? 1.9597 2.5239 1.8030 -0.0769 -0.1903 0.4332 291 PRO B CD 2090 N N . ASN B 77 ? 1.6192 2.2124 2.3368 -0.1806 -0.4012 -0.0953 297 ASN B N 2091 C CA . ASN B 77 ? 1.7109 2.3142 2.5581 -0.1945 -0.4265 -0.1480 297 ASN B CA 2092 C C . ASN B 77 ? 1.6992 2.3058 2.6104 -0.2032 -0.4253 -0.1146 297 ASN B C 2093 O O . ASN B 77 ? 1.7287 2.4017 2.6765 -0.1988 -0.4587 -0.1483 297 ASN B O 2094 C CB . ASN B 77 ? 1.8023 2.3330 2.7301 -0.2117 -0.4126 -0.1568 297 ASN B CB 2095 C CG . ASN B 77 ? 1.8947 2.3836 2.7406 -0.2054 -0.3895 -0.1423 297 ASN B CG 2096 O OD1 . ASN B 77 ? 1.9592 2.4820 2.6929 -0.1880 -0.3876 -0.1411 297 ASN B OD1 2097 N ND2 . ASN B 77 ? 1.8726 2.2905 2.7802 -0.2204 -0.3725 -0.1264 297 ASN B ND2 2098 N N . SER B 78 ? 1.6617 2.2044 2.5866 -0.2151 -0.3869 -0.0507 298 SER B N 2099 C CA . SER B 78 ? 1.6290 2.1761 2.6015 -0.2221 -0.3754 -0.0108 298 SER B CA 2100 C C . SER B 78 ? 1.6507 2.1882 2.5293 -0.2091 -0.3466 0.0501 298 SER B C 2101 O O . SER B 78 ? 1.6161 2.1771 2.5161 -0.2061 -0.3444 0.0744 298 SER B O 2102 C CB . SER B 78 ? 1.5719 2.0717 2.6518 -0.2482 -0.3535 0.0109 298 SER B CB 2103 O OG . SER B 78 ? 1.5540 2.0836 2.7232 -0.2579 -0.3594 0.0161 298 SER B OG 2104 N N . THR B 79 ? 1.7657 2.2696 2.5519 -0.2009 -0.3261 0.0707 299 THR B N 2105 C CA . THR B 79 ? 1.7398 2.2351 2.4433 -0.1867 -0.3031 0.1206 299 THR B CA 2106 C C . THR B 79 ? 1.7545 2.2466 2.3529 -0.1717 -0.3029 0.1220 299 THR B C 2107 O O . THR B 79 ? 1.7044 2.1926 2.2869 -0.1734 -0.3123 0.0858 299 THR B O 2108 C CB . THR B 79 ? 1.6353 2.0825 2.3561 -0.1975 -0.2590 0.1671 299 THR B CB 2109 O OG1 . THR B 79 ? 1.6161 2.0599 2.2731 -0.1818 -0.2410 0.2036 299 THR B OG1 2110 C CG2 . THR B 79 ? 1.5612 1.9546 2.2779 -0.2113 -0.2367 0.1721 299 THR B CG2 2111 N N . TYR B 80 ? 1.7973 2.2962 2.3357 -0.1570 -0.2936 0.1623 300 TYR B N 2112 C CA . TYR B 80 ? 1.8293 2.3119 2.2776 -0.1462 -0.2814 0.1802 300 TYR B CA 2113 C C . TYR B 80 ? 1.8145 2.2280 2.2552 -0.1530 -0.2396 0.2105 300 TYR B C 2114 O O . TYR B 80 ? 1.6884 2.0889 2.1656 -0.1558 -0.2201 0.2366 300 TYR B O 2115 C CB . TYR B 80 ? 1.8069 2.3330 2.2095 -0.1281 -0.2947 0.2143 300 TYR B CB 2116 C CG . TYR B 80 ? 1.8259 2.3697 2.2862 -0.1239 -0.2998 0.2415 300 TYR B CG 2117 C CD1 . TYR B 80 ? 1.7470 2.2510 2.2241 -0.1209 -0.2700 0.2787 300 TYR B CD1 2118 C CD2 . TYR B 80 ? 1.7833 2.3901 2.2873 -0.1216 -0.3361 0.2243 300 TYR B CD2 2119 C CE1 . TYR B 80 ? 1.6702 2.1942 2.2112 -0.1155 -0.2748 0.2967 300 TYR B CE1 2120 C CE2 . TYR B 80 ? 1.7351 2.3591 2.2995 -0.1168 -0.3423 0.2482 300 TYR B CE2 2121 C CZ . TYR B 80 ? 1.7057 2.2872 2.2912 -0.1136 -0.3110 0.2836 300 TYR B CZ 2122 O OH . TYR B 80 ? 1.6416 2.2441 2.2987 -0.1074 -0.3175 0.3005 300 TYR B OH 2123 N N . ARG B 81 ? 1.8555 2.2331 2.2537 -0.1557 -0.2270 0.2024 301 ARG B N 2124 C CA . ARG B 81 ? 1.7850 2.1052 2.1599 -0.1598 -0.1903 0.2314 301 ARG B CA 2125 C C . ARG B 81 ? 1.7559 2.0656 2.0534 -0.1445 -0.1782 0.2565 301 ARG B C 2126 O O . ARG B 81 ? 1.7721 2.0726 2.0195 -0.1410 -0.1794 0.2456 301 ARG B O 2127 C CB . ARG B 81 ? 1.7475 2.0282 2.1486 -0.1757 -0.1823 0.2151 301 ARG B CB 2128 C CG . ARG B 81 ? 1.6923 1.9708 2.0692 -0.1733 -0.1992 0.1775 301 ARG B CG 2129 C CD . ARG B 81 ? 1.6853 1.9174 2.0086 -0.1713 -0.1762 0.1938 301 ARG B CD 2130 N NE . ARG B 81 ? 1.6022 1.8486 1.8441 -0.1544 -0.1726 0.2055 301 ARG B NE 2131 C CZ . ARG B 81 ? 1.5014 1.7193 1.6893 -0.1491 -0.1568 0.2150 301 ARG B CZ 2132 N NH1 . ARG B 81 ? 1.4133 1.5857 1.6130 -0.1578 -0.1442 0.2138 301 ARG B NH1 2133 N NH2 . ARG B 81 ? 1.5084 1.7462 1.6362 -0.1354 -0.1551 0.2299 301 ARG B NH2 2134 N N . VAL B 82 ? 1.7283 2.0408 2.0296 -0.1359 -0.1666 0.2881 302 VAL B N 2135 C CA . VAL B 82 ? 1.7179 2.0318 1.9737 -0.1201 -0.1632 0.3166 302 VAL B CA 2136 C C . VAL B 82 ? 1.7365 2.0032 1.9476 -0.1186 -0.1356 0.3277 302 VAL B C 2137 O O . VAL B 82 ? 1.6791 1.9150 1.9052 -0.1245 -0.1100 0.3307 302 VAL B O 2138 C CB . VAL B 82 ? 1.6381 1.9761 1.9408 -0.1102 -0.1684 0.3417 302 VAL B CB 2139 C CG1 . VAL B 82 ? 1.5596 1.8689 1.8663 -0.1010 -0.1441 0.3663 302 VAL B CG1 2140 C CG2 . VAL B 82 ? 1.7009 2.0953 1.9977 -0.1003 -0.2042 0.3529 302 VAL B CG2 2141 N N . VAL B 83 ? 1.7713 2.0426 1.9275 -0.1108 -0.1418 0.3337 303 VAL B N 2142 C CA . VAL B 83 ? 1.6768 1.9078 1.7889 -0.1098 -0.1207 0.3377 303 VAL B CA 2143 C C . VAL B 83 ? 1.6375 1.8489 1.7548 -0.0998 -0.1030 0.3676 303 VAL B C 2144 O O . VAL B 83 ? 1.5002 1.7164 1.6670 -0.0963 -0.0988 0.3775 303 VAL B O 2145 C CB . VAL B 83 ? 1.6672 1.9182 1.7241 -0.1067 -0.1326 0.3266 303 VAL B CB 2146 C CG1 . VAL B 83 ? 1.6070 1.8145 1.6399 -0.1129 -0.1165 0.3071 303 VAL B CG1 2147 C CG2 . VAL B 83 ? 1.6000 1.9076 1.6604 -0.1085 -0.1622 0.2993 303 VAL B CG2 2148 N N . SER B 84 ? 1.6373 1.8295 1.7132 -0.0951 -0.0936 0.3767 304 SER B N 2149 C CA . SER B 84 ? 1.6312 1.8022 1.7182 -0.0857 -0.0787 0.3993 304 SER B CA 2150 C C . SER B 84 ? 1.7064 1.8424 1.7496 -0.0869 -0.0617 0.3922 304 SER B C 2151 O O . SER B 84 ? 1.7011 1.8117 1.7304 -0.0952 -0.0495 0.3705 304 SER B O 2152 C CB . SER B 84 ? 1.5476 1.7085 1.6911 -0.0843 -0.0645 0.3947 304 SER B CB 2153 O OG . SER B 84 ? 1.5537 1.6932 1.7145 -0.0755 -0.0492 0.4013 304 SER B OG 2154 N N . VAL B 85 ? 1.6088 1.7466 1.6376 -0.0793 -0.0619 0.4151 305 VAL B N 2155 C CA . VAL B 85 ? 1.4737 1.5855 1.4624 -0.0800 -0.0488 0.4088 305 VAL B CA 2156 C C . VAL B 85 ? 1.4943 1.5811 1.5091 -0.0721 -0.0350 0.4248 305 VAL B C 2157 O O . VAL B 85 ? 1.5601 1.6609 1.6155 -0.0646 -0.0419 0.4561 305 VAL B O 2158 C CB . VAL B 85 ? 1.4283 1.5739 1.3699 -0.0810 -0.0603 0.4123 305 VAL B CB 2159 C CG1 . VAL B 85 ? 1.3492 1.4751 1.2620 -0.0795 -0.0464 0.4140 305 VAL B CG1 2160 C CG2 . VAL B 85 ? 1.4389 1.5995 1.3608 -0.0890 -0.0713 0.3760 305 VAL B CG2 2161 N N . LEU B 86 ? 1.3917 1.4440 1.3919 -0.0739 -0.0181 0.4036 306 LEU B N 2162 C CA . LEU B 86 ? 1.3282 1.3583 1.3552 -0.0667 -0.0058 0.4069 306 LEU B CA 2163 C C . LEU B 86 ? 1.4155 1.4279 1.4000 -0.0684 0.0010 0.4027 306 LEU B C 2164 O O . LEU B 86 ? 1.5575 1.5657 1.4959 -0.0752 0.0006 0.3861 306 LEU B O 2165 C CB . LEU B 86 ? 1.1645 1.1827 1.2215 -0.0653 0.0081 0.3800 306 LEU B CB 2166 C CG . LEU B 86 ? 1.1491 1.1570 1.2598 -0.0550 0.0170 0.3720 306 LEU B CG 2167 C CD1 . LEU B 86 ? 1.2326 1.2544 1.4242 -0.0456 0.0072 0.3898 306 LEU B CD1 2168 C CD2 . LEU B 86 ? 1.0954 1.1060 1.2101 -0.0551 0.0328 0.3347 306 LEU B CD2 2169 N N . THR B 87 ? 1.4477 1.4506 1.4605 -0.0620 0.0059 0.4176 307 THR B N 2170 C CA . THR B 87 ? 1.3014 1.2859 1.2886 -0.0625 0.0148 0.4112 307 THR B CA 2171 C C . THR B 87 ? 1.2509 1.2084 1.2632 -0.0584 0.0265 0.3839 307 THR B C 2172 O O . THR B 87 ? 1.2653 1.2240 1.3351 -0.0519 0.0282 0.3773 307 THR B O 2173 C CB . THR B 87 ? 1.2218 1.2221 1.2288 -0.0599 0.0123 0.4492 307 THR B CB 2174 O OG1 . THR B 87 ? 1.2294 1.2718 1.2015 -0.0641 0.0014 0.4714 307 THR B OG1 2175 C CG2 . THR B 87 ? 1.2449 1.2291 1.2313 -0.0610 0.0229 0.4408 307 THR B CG2 2176 N N . VAL B 88 ? 1.1412 1.0810 1.1145 -0.0613 0.0330 0.3642 308 VAL B N 2177 C CA . VAL B 88 ? 1.1592 1.0854 1.1445 -0.0581 0.0419 0.3363 308 VAL B CA 2178 C C . VAL B 88 ? 1.1224 1.0320 1.1145 -0.0545 0.0457 0.3343 308 VAL B C 2179 O O . VAL B 88 ? 1.1435 1.0491 1.1011 -0.0583 0.0445 0.3444 308 VAL B O 2180 C CB . VAL B 88 ? 1.1852 1.1109 1.1244 -0.0659 0.0435 0.3193 308 VAL B CB 2181 C CG1 . VAL B 88 ? 1.1757 1.1154 1.1042 -0.0729 0.0366 0.3299 308 VAL B CG1 2182 C CG2 . VAL B 88 ? 1.1532 1.0605 1.0517 -0.0698 0.0420 0.3149 308 VAL B CG2 2183 N N . LEU B 89 ? 1.0236 0.9288 1.0666 -0.0469 0.0500 0.3164 309 LEU B N 2184 C CA . LEU B 89 ? 1.0029 0.8929 1.0625 -0.0440 0.0527 0.3128 309 LEU B CA 2185 C C . LEU B 89 ? 1.0078 0.8882 1.0056 -0.0482 0.0541 0.2949 309 LEU B C 2186 O O . LEU B 89 ? 1.0462 0.9335 1.0139 -0.0504 0.0542 0.2770 309 LEU B O 2187 C CB . LEU B 89 ? 0.9776 0.8673 1.1161 -0.0344 0.0542 0.2867 309 LEU B CB 2188 C CG . LEU B 89 ? 0.9633 0.8638 1.1898 -0.0271 0.0506 0.2867 309 LEU B CG 2189 C CD1 . LEU B 89 ? 0.9195 0.8167 1.2379 -0.0174 0.0499 0.2543 309 LEU B CD1 2190 C CD2 . LEU B 89 ? 0.8944 0.7971 1.1498 -0.0295 0.0435 0.3395 309 LEU B CD2 2191 N N . HIS B 90 ? 1.0351 0.9045 1.0187 -0.0499 0.0549 0.3035 310 HIS B N 2192 C CA . HIS B 90 ? 1.0058 0.8648 0.9414 -0.0532 0.0532 0.2885 310 HIS B CA 2193 C C . HIS B 90 ? 1.0450 0.9050 0.9827 -0.0495 0.0523 0.2599 310 HIS B C 2194 O O . HIS B 90 ? 1.0607 0.9232 0.9594 -0.0538 0.0481 0.2547 310 HIS B O 2195 C CB . HIS B 90 ? 0.9917 0.8437 0.9282 -0.0534 0.0559 0.2938 310 HIS B CB 2196 C CG . HIS B 90 ? 1.0244 0.8929 0.9379 -0.0585 0.0569 0.3155 310 HIS B CG 2197 N ND1 . HIS B 90 ? 1.0447 0.9350 0.9831 -0.0593 0.0605 0.3473 310 HIS B ND1 2198 C CD2 . HIS B 90 ? 1.0187 0.8937 0.8920 -0.0627 0.0534 0.3077 310 HIS B CD2 2199 C CE1 . HIS B 90 ? 1.0555 0.9734 0.9577 -0.0639 0.0602 0.3573 310 HIS B CE1 2200 N NE2 . HIS B 90 ? 1.0414 0.9496 0.9074 -0.0655 0.0560 0.3279 310 HIS B NE2 2201 N N . GLN B 91 ? 1.1230 0.9872 1.1129 -0.0419 0.0548 0.2425 311 GLN B N 2202 C CA . GLN B 91 ? 1.2092 1.0896 1.2074 -0.0363 0.0532 0.2062 311 GLN B CA 2203 C C . GLN B 91 ? 1.2022 1.1142 1.1804 -0.0377 0.0549 0.1948 311 GLN B C 2204 O O . GLN B 91 ? 1.1783 1.1138 1.1207 -0.0392 0.0527 0.1813 311 GLN B O 2205 C CB . GLN B 91 ? 1.3078 1.1895 1.3869 -0.0272 0.0541 0.1836 311 GLN B CB 2206 C CG . GLN B 91 ? 1.4228 1.3049 1.5669 -0.0244 0.0563 0.1971 311 GLN B CG 2207 C CD . GLN B 91 ? 1.6098 1.4714 1.8174 -0.0243 0.0564 0.2252 311 GLN B CD 2208 O OE1 . GLN B 91 ? 1.7235 1.5845 1.9828 -0.0242 0.0555 0.2540 311 GLN B OE1 2209 N NE2 . GLN B 91 ? 1.6773 1.5266 1.8860 -0.0251 0.0569 0.2220 311 GLN B NE2 2210 N N . ASP B 92 ? 1.2114 1.1298 1.2154 -0.0377 0.0585 0.2046 312 ASP B N 2211 C CA . ASP B 92 ? 1.1731 1.1261 1.1670 -0.0398 0.0627 0.1958 312 ASP B CA 2212 C C . ASP B 92 ? 1.1683 1.1256 1.0929 -0.0514 0.0610 0.2167 312 ASP B C 2213 O O . ASP B 92 ? 1.2253 1.2197 1.1251 -0.0545 0.0636 0.2068 312 ASP B O 2214 C CB . ASP B 92 ? 1.1450 1.0967 1.1772 -0.0392 0.0639 0.2122 312 ASP B CB 2215 C CG . ASP B 92 ? 1.1340 1.0935 1.2588 -0.0274 0.0642 0.1893 312 ASP B CG 2216 O OD1 . ASP B 92 ? 1.0775 1.0374 1.2436 -0.0197 0.0632 0.1599 312 ASP B OD1 2217 O OD2 . ASP B 92 ? 1.0470 1.0123 1.2134 -0.0256 0.0631 0.2005 312 ASP B OD2 2218 N N . TRP B 93 ? 1.1235 1.0493 1.0241 -0.0581 0.0557 0.2460 313 TRP B N 2219 C CA . TRP B 93 ? 1.1371 1.0615 0.9954 -0.0692 0.0509 0.2651 313 TRP B CA 2220 C C . TRP B 93 ? 1.1623 1.0821 0.9943 -0.0712 0.0442 0.2651 313 TRP B C 2221 O O . TRP B 93 ? 1.3070 1.2365 1.1172 -0.0803 0.0392 0.2825 313 TRP B O 2222 C CB . TRP B 93 ? 1.1578 1.0572 1.0105 -0.0740 0.0451 0.2845 313 TRP B CB 2223 C CG . TRP B 93 ? 1.1977 1.0905 1.0286 -0.0845 0.0370 0.2982 313 TRP B CG 2224 C CD1 . TRP B 93 ? 1.1859 1.0560 1.0068 -0.0870 0.0275 0.3003 313 TRP B CD1 2225 C CD2 . TRP B 93 ? 1.2911 1.2008 1.1220 -0.0944 0.0362 0.3121 313 TRP B CD2 2226 N NE1 . TRP B 93 ? 1.2209 1.0891 1.0433 -0.0976 0.0187 0.3150 313 TRP B NE1 2227 C CE2 . TRP B 93 ? 1.3027 1.1952 1.1300 -0.1034 0.0244 0.3250 313 TRP B CE2 2228 C CE3 . TRP B 93 ? 1.3128 1.2520 1.1561 -0.0969 0.0440 0.3142 313 TRP B CE3 2229 C CZ2 . TRP B 93 ? 1.3260 1.2277 1.1657 -0.1159 0.0196 0.3443 313 TRP B CZ2 2230 C CZ3 . TRP B 93 ? 1.3886 1.3406 1.2347 -0.1094 0.0417 0.3324 313 TRP B CZ3 2231 C CH2 . TRP B 93 ? 1.3931 1.3254 1.2392 -0.1196 0.0293 0.3495 313 TRP B CH2 2232 N N . LEU B 94 ? 1.1628 1.0692 1.0044 -0.0635 0.0424 0.2496 314 LEU B N 2233 C CA . LEU B 94 ? 1.1900 1.0954 1.0110 -0.0644 0.0333 0.2498 314 LEU B CA 2234 C C . LEU B 94 ? 1.2862 1.2399 1.0993 -0.0617 0.0348 0.2330 314 LEU B C 2235 O O . LEU B 94 ? 1.4325 1.4047 1.2204 -0.0656 0.0259 0.2443 314 LEU B O 2236 C CB . LEU B 94 ? 1.1254 1.0012 0.9613 -0.0580 0.0298 0.2391 314 LEU B CB 2237 C CG . LEU B 94 ? 1.1085 0.9537 0.9425 -0.0622 0.0279 0.2542 314 LEU B CG 2238 C CD1 . LEU B 94 ? 1.0520 0.8802 0.9059 -0.0565 0.0309 0.2450 314 LEU B CD1 2239 C CD2 . LEU B 94 ? 1.0570 0.8929 0.8749 -0.0704 0.0156 0.2698 314 LEU B CD2 2240 N N . ASN B 95 ? 1.3075 1.2890 1.1474 -0.0546 0.0447 0.2052 315 ASN B N 2241 C CA . ASN B 95 ? 1.4060 1.4530 1.2398 -0.0513 0.0481 0.1782 315 ASN B CA 2242 C C . ASN B 95 ? 1.4389 1.5319 1.2543 -0.0601 0.0574 0.1922 315 ASN B C 2243 O O . ASN B 95 ? 1.2954 1.4545 1.1162 -0.0565 0.0662 0.1625 315 ASN B O 2244 C CB . ASN B 95 ? 1.3675 1.4273 1.2559 -0.0371 0.0513 0.1278 315 ASN B CB 2245 C CG . ASN B 95 ? 1.4102 1.4245 1.3235 -0.0313 0.0432 0.1217 315 ASN B CG 2246 O OD1 . ASN B 95 ? 1.4493 1.4367 1.3300 -0.0361 0.0350 0.1463 315 ASN B OD1 2247 N ND2 . ASN B 95 ? 1.3046 1.3111 1.2864 -0.0212 0.0452 0.0898 315 ASN B ND2 2248 N N . GLY B 96 ? 1.4736 1.5356 1.2728 -0.0717 0.0552 0.2341 316 GLY B N 2249 C CA . GLY B 96 ? 1.5225 1.6153 1.3124 -0.0831 0.0626 0.2573 316 GLY B CA 2250 C C . GLY B 96 ? 1.5339 1.6685 1.3525 -0.0780 0.0773 0.2284 316 GLY B C 2251 O O . GLY B 96 ? 1.7060 1.9076 1.5128 -0.0836 0.0875 0.2271 316 GLY B O 2252 N N . LYS B 97 ? 1.5042 1.6059 1.3667 -0.0676 0.0784 0.2069 317 LYS B N 2253 C CA . LYS B 97 ? 1.4244 1.5617 1.3319 -0.0610 0.0892 0.1777 317 LYS B CA 2254 C C . LYS B 97 ? 1.3966 1.5522 1.2933 -0.0733 0.0953 0.2057 317 LYS B C 2255 O O . LYS B 97 ? 1.3496 1.4685 1.2225 -0.0844 0.0880 0.2456 317 LYS B O 2256 C CB . LYS B 97 ? 1.3721 1.4656 1.3409 -0.0492 0.0850 0.1642 317 LYS B CB 2257 C CG . LYS B 97 ? 1.3550 1.4515 1.3645 -0.0358 0.0825 0.1230 317 LYS B CG 2258 C CD . LYS B 97 ? 1.4102 1.5634 1.4827 -0.0246 0.0902 0.0682 317 LYS B CD 2259 C CE . LYS B 97 ? 1.4258 1.5497 1.5926 -0.0145 0.0865 0.0604 317 LYS B CE 2260 N NZ . LYS B 97 ? 1.3894 1.4808 1.6221 -0.0042 0.0776 0.0422 317 LYS B NZ 2261 N N . GLU B 98 ? 1.4244 1.6427 1.3453 -0.0712 0.1087 0.1799 318 GLU B N 2262 C CA . GLU B 98 ? 1.5276 1.7740 1.4436 -0.0840 0.1167 0.2050 318 GLU B CA 2263 C C . GLU B 98 ? 1.5179 1.7306 1.4849 -0.0790 0.1135 0.2046 318 GLU B C 2264 O O . GLU B 98 ? 1.4025 1.6306 1.4279 -0.0657 0.1171 0.1678 318 GLU B O 2265 C CB . GLU B 98 ? 1.6546 2.0014 1.5600 -0.0881 0.1347 0.1853 318 GLU B CB 2266 C CG . GLU B 98 ? 1.7875 2.1696 1.6334 -0.0958 0.1329 0.2031 318 GLU B CG 2267 C CD . GLU B 98 ? 1.8657 2.3613 1.6853 -0.1053 0.1504 0.2032 318 GLU B CD 2268 O OE1 . GLU B 98 ? 1.7687 2.3299 1.5622 -0.0998 0.1528 0.1753 318 GLU B OE1 2269 O OE2 . GLU B 98 ? 1.9462 2.4723 1.7716 -0.1189 0.1616 0.2315 318 GLU B OE2 2270 N N . TYR B 99 ? 1.5051 1.6726 1.4567 -0.0893 0.1036 0.2450 319 TYR B N 2271 C CA . TYR B 99 ? 1.5281 1.6611 1.5170 -0.0851 0.0949 0.2522 319 TYR B CA 2272 C C . TYR B 99 ? 1.5091 1.6804 1.5251 -0.0915 0.1022 0.2551 319 TYR B C 2273 O O . TYR B 99 ? 1.6042 1.7634 1.6086 -0.1042 0.0964 0.2844 319 TYR B O 2274 C CB . TYR B 99 ? 1.6164 1.6909 1.5781 -0.0903 0.0787 0.2828 319 TYR B CB 2275 C CG . TYR B 99 ? 1.6975 1.7354 1.6572 -0.0796 0.0721 0.2755 319 TYR B CG 2276 C CD1 . TYR B 99 ? 1.7306 1.7582 1.6560 -0.0801 0.0721 0.2718 319 TYR B CD1 2277 C CD2 . TYR B 99 ? 1.7161 1.7348 1.7152 -0.0693 0.0655 0.2761 319 TYR B CD2 2278 C CE1 . TYR B 99 ? 1.7736 1.7712 1.7046 -0.0709 0.0674 0.2641 319 TYR B CE1 2279 C CE2 . TYR B 99 ? 1.6931 1.6842 1.6991 -0.0615 0.0614 0.2751 319 TYR B CE2 2280 C CZ . TYR B 99 ? 1.6929 1.6727 1.6651 -0.0624 0.0633 0.2665 319 TYR B CZ 2281 O OH . TYR B 99 ? 1.5980 1.5527 1.5837 -0.0555 0.0601 0.2656 319 TYR B OH 2282 N N . LYS B 100 ? 1.4323 1.6527 1.4941 -0.0821 0.1144 0.2192 320 LYS B N 2283 C CA . LYS B 100 ? 1.4178 1.6874 1.5172 -0.0860 0.1248 0.2125 320 LYS B CA 2284 C C . LYS B 100 ? 1.4019 1.6360 1.5387 -0.0853 0.1097 0.2331 320 LYS B C 2285 O O . LYS B 100 ? 1.4062 1.6162 1.5917 -0.0712 0.0986 0.2242 320 LYS B O 2286 C CB . LYS B 100 ? 1.5351 1.8679 1.6879 -0.0721 0.1397 0.1567 320 LYS B CB 2287 C CG . LYS B 100 ? 1.7431 2.1610 1.9104 -0.0803 0.1607 0.1429 320 LYS B CG 2288 C CD . LYS B 100 ? 1.8059 2.2727 2.0620 -0.0639 0.1689 0.0865 320 LYS B CD 2289 C CE . LYS B 100 ? 1.7879 2.3383 2.0546 -0.0545 0.1870 0.0238 320 LYS B CE 2290 N NZ . LYS B 100 ? 1.6767 2.2975 2.0336 -0.0426 0.1997 -0.0342 320 LYS B NZ 2291 N N . CYS B 101 ? 1.3473 1.5815 1.4674 -0.1010 0.1070 0.2632 321 CYS B N 2292 C CA . CYS B 101 ? 1.3445 1.5650 1.5039 -0.1006 0.0931 0.2757 321 CYS B CA 2293 C C . CYS B 101 ? 1.4292 1.7110 1.6415 -0.1030 0.1073 0.2597 321 CYS B C 2294 O O . CYS B 101 ? 1.4172 1.7528 1.6163 -0.1139 0.1284 0.2551 321 CYS B O 2295 C CB . CYS B 101 ? 1.2900 1.4733 1.4159 -0.1141 0.0766 0.3087 321 CYS B CB 2296 S SG . CYS B 101 ? 1.2803 1.4405 1.4403 -0.1060 0.0506 0.3185 321 CYS B SG 2297 N N . LYS B 102 ? 1.4444 1.7254 1.7187 -0.0929 0.0959 0.2534 322 LYS B N 2298 C CA . LYS B 102 ? 1.4863 1.8241 1.8256 -0.0927 0.1067 0.2346 322 LYS B CA 2299 C C . LYS B 102 ? 1.5082 1.8319 1.8968 -0.0901 0.0844 0.2508 322 LYS B C 2300 O O . LYS B 102 ? 1.5202 1.8223 1.9539 -0.0743 0.0662 0.2503 322 LYS B O 2301 C CB . LYS B 102 ? 1.4939 1.8761 1.8916 -0.0759 0.1217 0.1850 322 LYS B CB 2302 C CG . LYS B 102 ? 1.4136 1.8656 1.8831 -0.0746 0.1365 0.1562 322 LYS B CG 2303 C CD . LYS B 102 ? 1.3410 1.8216 1.8992 -0.0521 0.1398 0.1018 322 LYS B CD 2304 C CE . LYS B 102 ? 1.3460 1.8799 1.9946 -0.0476 0.1450 0.0777 322 LYS B CE 2305 N NZ . LYS B 102 ? 1.3231 1.9078 2.0686 -0.0271 0.1548 0.0096 322 LYS B NZ 2306 N N . VAL B 103 ? 1.4963 1.8376 1.8830 -0.1065 0.0849 0.2675 323 VAL B N 2307 C CA . VAL B 103 ? 1.4416 1.7778 1.8705 -0.1064 0.0623 0.2809 323 VAL B CA 2308 C C . VAL B 103 ? 1.4764 1.8737 1.9787 -0.1079 0.0761 0.2615 323 VAL B C 2309 O O . VAL B 103 ? 1.3755 1.8220 1.8757 -0.1209 0.1037 0.2531 323 VAL B O 2310 C CB . VAL B 103 ? 1.4234 1.7315 1.8086 -0.1232 0.0465 0.3086 323 VAL B CB 2311 C CG1 . VAL B 103 ? 1.4954 1.8027 1.9192 -0.1207 0.0178 0.3170 323 VAL B CG1 2312 C CG2 . VAL B 103 ? 1.4067 1.6646 1.7226 -0.1219 0.0378 0.3203 323 VAL B CG2 2313 N N . SER B 104 ? 1.5831 1.9835 2.1538 -0.0947 0.0566 0.2574 324 SER B N 2314 C CA . SER B 104 ? 1.5701 2.0278 2.2257 -0.0922 0.0666 0.2342 324 SER B CA 2315 C C . SER B 104 ? 1.5392 1.9961 2.2420 -0.0929 0.0380 0.2518 324 SER B C 2316 O O . SER B 104 ? 1.5370 1.9658 2.2602 -0.0790 0.0067 0.2673 324 SER B O 2317 C CB . SER B 104 ? 1.4980 1.9774 2.2225 -0.0703 0.0747 0.1958 324 SER B CB 2318 O OG . SER B 104 ? 1.4516 1.9493 2.1362 -0.0709 0.1026 0.1700 324 SER B OG 2319 N N . ASN B 105 ? 1.5351 2.0288 2.2560 -0.1103 0.0482 0.2529 325 ASN B N 2320 C CA . ASN B 105 ? 1.5009 2.0051 2.2735 -0.1135 0.0231 0.2630 325 ASN B CA 2321 C C . ASN B 105 ? 1.5365 2.1093 2.3933 -0.1169 0.0457 0.2382 325 ASN B C 2322 O O . ASN B 105 ? 1.5853 2.2019 2.4437 -0.1211 0.0827 0.2166 325 ASN B O 2323 C CB . ASN B 105 ? 1.4312 1.9125 2.1538 -0.1346 0.0113 0.2867 325 ASN B CB 2324 C CG . ASN B 105 ? 1.3706 1.8510 2.1289 -0.1336 -0.0269 0.2948 325 ASN B CG 2325 O OD1 . ASN B 105 ? 1.4080 1.9062 2.1926 -0.1510 -0.0300 0.2964 325 ASN B OD1 2326 N ND2 . ASN B 105 ? 1.3478 1.8127 2.1108 -0.1143 -0.0577 0.3023 325 ASN B ND2 2327 N N . LYS B 106 ? 1.5087 2.0999 2.4357 -0.1148 0.0236 0.2393 326 LYS B N 2328 C CA . LYS B 106 ? 1.4269 2.0868 2.4427 -0.1187 0.0434 0.2155 326 LYS B CA 2329 C C . LYS B 106 ? 1.4059 2.0953 2.4146 -0.1484 0.0611 0.2300 326 LYS B C 2330 O O . LYS B 106 ? 1.4455 2.2006 2.5214 -0.1573 0.0842 0.2154 326 LYS B O 2331 C CB . LYS B 106 ? 1.4212 2.0904 2.5309 -0.1008 0.0097 0.2097 326 LYS B CB 2332 C CG . LYS B 106 ? 1.4443 2.0630 2.5459 -0.0778 -0.0266 0.2258 326 LYS B CG 2333 C CD . LYS B 106 ? 1.4217 2.0628 2.6394 -0.0535 -0.0426 0.2097 326 LYS B CD 2334 C CE . LYS B 106 ? 1.4090 2.0026 2.6221 -0.0329 -0.0680 0.2301 326 LYS B CE 2335 N NZ . LYS B 106 ? 1.3356 1.9470 2.6801 -0.0085 -0.0822 0.2144 326 LYS B NZ 2336 N N . ALA B 107 ? 1.3290 1.9726 2.2662 -0.1639 0.0503 0.2586 327 ALA B N 2337 C CA . ALA B 107 ? 1.2659 1.9258 2.2051 -0.1933 0.0626 0.2794 327 ALA B CA 2338 C C . ALA B 107 ? 1.2477 1.9273 2.1334 -0.2091 0.1026 0.2931 327 ALA B C 2339 O O . ALA B 107 ? 1.2661 1.9548 2.1511 -0.2351 0.1130 0.3218 327 ALA B O 2340 C CB . ALA B 107 ? 1.2613 1.8652 2.1731 -0.2005 0.0244 0.2971 327 ALA B CB 2341 N N . LEU B 108 ? 1.2151 1.9050 2.0644 -0.1935 0.1224 0.2738 328 LEU B N 2342 C CA . LEU B 108 ? 1.2291 1.9444 2.0160 -0.2043 0.1572 0.2832 328 LEU B CA 2343 C C . LEU B 108 ? 1.2837 2.0984 2.1060 -0.2018 0.1992 0.2512 328 LEU B C 2344 O O . LEU B 108 ? 1.2617 2.1068 2.1545 -0.1843 0.1980 0.2129 328 LEU B O 2345 C CB . LEU B 108 ? 1.1385 1.7876 1.8442 -0.1891 0.1441 0.2823 328 LEU B CB 2346 C CG . LEU B 108 ? 1.0795 1.6404 1.7440 -0.1845 0.1043 0.3006 328 LEU B CG 2347 C CD1 . LEU B 108 ? 1.0273 1.5462 1.6328 -0.1652 0.0997 0.2899 328 LEU B CD1 2348 C CD2 . LEU B 108 ? 1.0681 1.6013 1.7062 -0.2088 0.0972 0.3358 328 LEU B CD2 2349 N N . PRO B 109 ? 1.3488 2.2228 2.1272 -0.2188 0.2354 0.2655 329 PRO B N 2350 C CA . PRO B 109 ? 1.3565 2.3441 2.1661 -0.2166 0.2765 0.2284 329 PRO B CA 2351 C C . PRO B 109 ? 1.3695 2.3661 2.1554 -0.1896 0.2829 0.1751 329 PRO B C 2352 O O . PRO B 109 ? 1.3225 2.3535 2.1786 -0.1682 0.2858 0.1197 329 PRO B O 2353 C CB . PRO B 109 ? 1.3958 2.4521 2.1629 -0.2482 0.3095 0.2755 329 PRO B CB 2354 C CG . PRO B 109 ? 1.3975 2.3615 2.1032 -0.2610 0.2841 0.3303 329 PRO B CG 2355 C CD . PRO B 109 ? 1.4054 2.2556 2.1083 -0.2393 0.2395 0.3142 329 PRO B CD 2356 N N . ALA B 110 ? 1.4446 2.4125 2.1429 -0.1912 0.2839 0.1910 330 ALA B N 2357 C CA . ALA B 110 ? 1.5124 2.4659 2.1842 -0.1666 0.2816 0.1464 330 ALA B CA 2358 C C . ALA B 110 ? 1.5373 2.3644 2.1935 -0.1517 0.2384 0.1608 330 ALA B C 2359 O O . ALA B 110 ? 1.5160 2.2859 2.1884 -0.1581 0.2125 0.1937 330 ALA B O 2360 C CB . ALA B 110 ? 1.5620 2.5609 2.1466 -0.1784 0.3052 0.1600 330 ALA B CB 2361 N N . PRO B 111 ? 1.5670 2.3584 2.1971 -0.1319 0.2301 0.1342 331 PRO B N 2362 C CA . PRO B 111 ? 1.5777 2.2595 2.1650 -0.1262 0.1953 0.1651 331 PRO B CA 2363 C C . PRO B 111 ? 1.5618 2.2183 2.0524 -0.1446 0.1991 0.2069 331 PRO B C 2364 O O . PRO B 111 ? 1.6511 2.3632 2.1019 -0.1492 0.2241 0.1964 331 PRO B O 2365 C CB . PRO B 111 ? 1.5923 2.2538 2.2092 -0.0986 0.1867 0.1210 331 PRO B CB 2366 C CG . PRO B 111 ? 1.5573 2.3171 2.1967 -0.0934 0.2207 0.0652 331 PRO B CG 2367 C CD . PRO B 111 ? 1.5673 2.4156 2.2277 -0.1116 0.2475 0.0685 331 PRO B CD 2368 N N . ILE B 112 ? 1.4498 2.0325 1.9087 -0.1547 0.1740 0.2506 332 ILE B N 2369 C CA . ILE B 112 ? 1.3937 1.9493 1.7781 -0.1722 0.1745 0.2905 332 ILE B CA 2370 C C . ILE B 112 ? 1.2809 1.7734 1.6062 -0.1592 0.1605 0.2871 332 ILE B C 2371 O O . ILE B 112 ? 1.2260 1.6675 1.5626 -0.1412 0.1397 0.2727 332 ILE B O 2372 C CB . ILE B 112 ? 1.4088 1.9393 1.8032 -0.1953 0.1612 0.3356 332 ILE B CB 2373 C CG1 . ILE B 112 ? 1.4354 2.0488 1.8501 -0.2198 0.1908 0.3601 332 ILE B CG1 2374 C CG2 . ILE B 112 ? 1.4097 1.8691 1.7488 -0.2013 0.1415 0.3646 332 ILE B CG2 2375 C CD1 . ILE B 112 ? 1.4011 2.0044 1.8586 -0.2438 0.1807 0.4006 332 ILE B CD1 2376 N N . GLU B 113 ? 1.3133 1.8173 1.5802 -0.1688 0.1724 0.3034 333 GLU B N 2377 C CA . GLU B 113 ? 1.3596 1.8262 1.5777 -0.1550 0.1663 0.2897 333 GLU B CA 2378 C C . GLU B 113 ? 1.3954 1.8324 1.5519 -0.1695 0.1613 0.3292 333 GLU B C 2379 O O . GLU B 113 ? 1.3213 1.8152 1.4561 -0.1853 0.1793 0.3516 333 GLU B O 2380 C CB . GLU B 113 ? 1.3269 1.8631 1.5504 -0.1419 0.1892 0.2425 333 GLU B CB 2381 C CG . GLU B 113 ? 1.4099 1.9767 1.7124 -0.1247 0.1929 0.1953 333 GLU B CG 2382 C CD . GLU B 113 ? 1.4852 2.0989 1.8097 -0.1053 0.2059 0.1347 333 GLU B CD 2383 O OE1 . GLU B 113 ? 1.5648 2.1833 1.8359 -0.1039 0.2100 0.1278 333 GLU B OE1 2384 O OE2 . GLU B 113 ? 1.4551 2.1014 1.8601 -0.0906 0.2095 0.0902 333 GLU B OE2 2385 N N . LYS B 114 ? 1.4096 1.7651 1.5430 -0.1642 0.1366 0.3395 334 LYS B N 2386 C CA . LYS B 114 ? 1.3927 1.7137 1.4773 -0.1735 0.1287 0.3687 334 LYS B CA 2387 C C . LYS B 114 ? 1.3539 1.6676 1.3991 -0.1578 0.1317 0.3442 334 LYS B C 2388 O O . LYS B 114 ? 1.2971 1.6194 1.3616 -0.1400 0.1354 0.3057 334 LYS B O 2389 C CB . LYS B 114 ? 1.3744 1.6225 1.4628 -0.1776 0.1015 0.3868 334 LYS B CB 2390 C CG . LYS B 114 ? 1.3425 1.5961 1.4771 -0.1958 0.0946 0.4106 334 LYS B CG 2391 C CD . LYS B 114 ? 1.2447 1.5641 1.3977 -0.2165 0.1162 0.4412 334 LYS B CD 2392 C CE . LYS B 114 ? 1.2070 1.5690 1.4174 -0.2219 0.1243 0.4349 334 LYS B CE 2393 N NZ . LYS B 114 ? 1.2015 1.6215 1.4467 -0.2477 0.1407 0.4755 334 LYS B NZ 2394 N N . THR B 115 ? 1.3777 1.6773 1.3793 -0.1645 0.1282 0.3663 335 THR B N 2395 C CA . THR B 115 ? 1.4558 1.7602 1.4206 -0.1518 0.1317 0.3435 335 THR B CA 2396 C C . THR B 115 ? 1.4536 1.7079 1.3815 -0.1568 0.1160 0.3709 335 THR B C 2397 O O . THR B 115 ? 1.4581 1.7270 1.3748 -0.1738 0.1149 0.4117 335 THR B O 2398 C CB . THR B 115 ? 1.5215 1.9236 1.4750 -0.1522 0.1562 0.3246 335 THR B CB 2399 O OG1 . THR B 115 ? 1.4115 1.8432 1.4067 -0.1355 0.1660 0.2719 335 THR B OG1 2400 C CG2 . THR B 115 ? 1.5322 1.9491 1.4365 -0.1480 0.1554 0.3199 335 THR B CG2 2401 N N . ILE B 116 ? 1.4658 1.6638 1.3837 -0.1420 0.1034 0.3506 336 ILE B N 2402 C CA . ILE B 116 ? 1.4089 1.5514 1.3042 -0.1449 0.0863 0.3702 336 ILE B CA 2403 C C . ILE B 116 ? 1.4302 1.5602 1.2962 -0.1320 0.0846 0.3501 336 ILE B C 2404 O O . ILE B 116 ? 1.2950 1.4368 1.1690 -0.1169 0.0916 0.3138 336 ILE B O 2405 C CB . ILE B 116 ? 1.2451 1.3298 1.1611 -0.1450 0.0687 0.3738 336 ILE B CB 2406 C CG1 . ILE B 116 ? 1.1708 1.2252 1.0909 -0.1586 0.0535 0.4024 336 ILE B CG1 2407 C CG2 . ILE B 116 ? 1.1122 1.1600 1.0227 -0.1280 0.0619 0.3485 336 ILE B CG2 2408 C CD1 . ILE B 116 ? 1.1816 1.1850 1.1114 -0.1535 0.0351 0.3890 336 ILE B CD1 2409 N N . SER B 117 ? 1.3256 1.4339 1.1701 -0.1387 0.0737 0.3742 337 SER B N 2410 C CA . SER B 117 ? 1.3752 1.4649 1.1955 -0.1288 0.0676 0.3610 337 SER B CA 2411 C C . SER B 117 ? 1.3690 1.4105 1.1876 -0.1357 0.0491 0.3879 337 SER B C 2412 O O . SER B 117 ? 1.3183 1.3465 1.1597 -0.1487 0.0410 0.4156 337 SER B O 2413 C CB . SER B 117 ? 1.4070 1.5655 1.2028 -0.1270 0.0788 0.3519 337 SER B CB 2414 O OG . SER B 117 ? 1.5862 1.8054 1.3766 -0.1431 0.0874 0.3848 337 SER B OG 2415 N N . LYS B 118 ? 1.3988 1.4125 1.2030 -0.1261 0.0412 0.3745 338 LYS B N 2416 C CA . LYS B 118 ? 1.3711 1.3569 1.1781 -0.1320 0.0242 0.3990 338 LYS B CA 2417 C C . LYS B 118 ? 1.3148 1.3575 1.1061 -0.1420 0.0261 0.4319 338 LYS B C 2418 O O . LYS B 118 ? 1.2813 1.3855 1.0504 -0.1401 0.0416 0.4211 338 LYS B O 2419 C CB . LYS B 118 ? 1.4224 1.3747 1.2199 -0.1189 0.0169 0.3752 338 LYS B CB 2420 C CG . LYS B 118 ? 1.3969 1.3859 1.1696 -0.1091 0.0245 0.3545 338 LYS B CG 2421 C CD . LYS B 118 ? 1.3818 1.3558 1.1473 -0.1040 0.0109 0.3542 338 LYS B CD 2422 C CE . LYS B 118 ? 1.3793 1.4057 1.1231 -0.0955 0.0168 0.3304 338 LYS B CE 2423 N NZ . LYS B 118 ? 1.3393 1.3769 1.0704 -0.0927 0.0017 0.3367 338 LYS B NZ 2424 N N . ALA B 119 ? 1.2981 1.3278 1.1060 -0.1524 0.0093 0.4718 339 ALA B N 2425 C CA . ALA B 119 ? 1.2308 1.3219 1.0253 -0.1641 0.0079 0.5175 339 ALA B CA 2426 C C . ALA B 119 ? 1.2120 1.3499 0.9599 -0.1525 0.0115 0.4961 339 ALA B C 2427 O O . ALA B 119 ? 1.2117 1.3122 0.9553 -0.1396 0.0013 0.4699 339 ALA B O 2428 C CB . ALA B 119 ? 1.2101 1.2696 1.0496 -0.1766 -0.0160 0.5690 339 ALA B CB 2429 N N . LYS B 120 ? 1.2473 1.4741 0.9644 -0.1569 0.0268 0.5016 340 LYS B N 2430 C CA . LYS B 120 ? 1.3316 1.6276 1.0063 -0.1482 0.0285 0.4818 340 LYS B CA 2431 C C . LYS B 120 ? 1.3706 1.6750 1.0398 -0.1549 0.0051 0.5337 340 LYS B C 2432 O O . LYS B 120 ? 1.3217 1.6030 1.0232 -0.1705 -0.0083 0.5956 340 LYS B O 2433 C CB . LYS B 120 ? 1.4192 1.8295 1.0645 -0.1536 0.0504 0.4776 340 LYS B CB 2434 C CG . LYS B 120 ? 1.4821 1.8976 1.1462 -0.1513 0.0730 0.4411 340 LYS B CG 2435 C CD . LYS B 120 ? 1.5124 1.9761 1.1686 -0.1329 0.0876 0.3642 340 LYS B CD 2436 C CE . LYS B 120 ? 1.4705 1.9169 1.1639 -0.1285 0.1041 0.3304 340 LYS B CE 2437 N NZ . LYS B 120 ? 1.4129 1.7439 1.1383 -0.1234 0.0923 0.3304 340 LYS B NZ 2438 N N . GLY B 121 ? 1.4006 1.7396 1.0391 -0.1429 -0.0021 0.5077 341 GLY B N 2439 C CA . GLY B 121 ? 1.4755 1.8351 1.1069 -0.1473 -0.0267 0.5557 341 GLY B CA 2440 C C . GLY B 121 ? 1.4469 1.7470 1.0867 -0.1297 -0.0419 0.5130 341 GLY B C 2441 O O . GLY B 121 ? 1.3361 1.5760 0.9911 -0.1176 -0.0323 0.4577 341 GLY B O 2442 N N . GLN B 122 ? 1.1377 1.1092 1.2721 -0.1632 -0.2107 0.0428 342 GLN B N 2443 C CA . GLN B 122 ? 1.1375 1.1151 1.3071 -0.1802 -0.2184 0.0509 342 GLN B CA 2444 C C . GLN B 122 ? 1.0955 1.0848 1.2842 -0.1731 -0.2077 0.0812 342 GLN B C 2445 O O . GLN B 122 ? 1.1073 1.1208 1.2826 -0.1625 -0.2063 0.0942 342 GLN B O 2446 C CB . GLN B 122 ? 1.2321 1.2424 1.3987 -0.1935 -0.2406 0.0413 342 GLN B CB 2447 C CG . GLN B 122 ? 1.4403 1.4539 1.6453 -0.2161 -0.2533 0.0288 342 GLN B CG 2448 C CD . GLN B 122 ? 1.6128 1.6704 1.8229 -0.2244 -0.2799 0.0247 342 GLN B CD 2449 O OE1 . GLN B 122 ? 1.7069 1.7862 1.9641 -0.2386 -0.2890 0.0253 342 GLN B OE1 2450 N NE2 . GLN B 122 ? 1.5888 1.6597 1.7509 -0.2150 -0.2921 0.0206 342 GLN B NE2 2451 N N . PRO B 123 ? 1.1066 1.0737 1.3230 -0.1792 -0.1969 0.0920 343 PRO B N 2452 C CA . PRO B 123 ? 1.0315 1.0101 1.2612 -0.1736 -0.1849 0.1191 343 PRO B CA 2453 C C . PRO B 123 ? 0.9324 0.9518 1.1892 -0.1848 -0.1941 0.1248 343 PRO B C 2454 O O . PRO B 123 ? 1.0207 1.0513 1.3026 -0.2023 -0.2066 0.1114 343 PRO B O 2455 C CB . PRO B 123 ? 1.0296 0.9666 1.2753 -0.1793 -0.1686 0.1282 343 PRO B CB 2456 C CG . PRO B 123 ? 1.0383 0.9358 1.2648 -0.1731 -0.1695 0.1105 343 PRO B CG 2457 C CD . PRO B 123 ? 1.1060 1.0261 1.3311 -0.1850 -0.1884 0.0831 343 PRO B CD 2458 N N . ARG B 124 ? 0.9708 1.0143 1.2235 -0.1737 -0.1897 0.1419 344 ARG B N 2459 C CA . ARG B 124 ? 0.9483 1.0300 1.2313 -0.1800 -0.1977 0.1489 344 ARG B CA 2460 C C . ARG B 124 ? 0.9157 1.0018 1.2217 -0.1779 -0.1775 0.1699 344 ARG B C 2461 O O . ARG B 124 ? 0.8982 0.9717 1.1806 -0.1641 -0.1619 0.1827 344 ARG B O 2462 C CB . ARG B 124 ? 0.9573 1.0639 1.2154 -0.1691 -0.2116 0.1488 344 ARG B CB 2463 C CG . ARG B 124 ? 1.0684 1.1842 1.3132 -0.1763 -0.2363 0.1292 344 ARG B CG 2464 C CD . ARG B 124 ? 1.0918 1.2135 1.2900 -0.1636 -0.2432 0.1301 344 ARG B CD 2465 N NE . ARG B 124 ? 1.1556 1.2505 1.3147 -0.1581 -0.2319 0.1191 344 ARG B NE 2466 C CZ . ARG B 124 ? 1.2137 1.3058 1.3395 -0.1464 -0.2210 0.1237 344 ARG B CZ 2467 N NH1 . ARG B 124 ? 1.0827 1.1566 1.1836 -0.1422 -0.2104 0.1097 344 ARG B NH1 2468 N NH2 . ARG B 124 ? 1.2966 1.4041 1.4186 -0.1391 -0.2189 0.1408 344 ARG B NH2 2469 N N . GLU B 125 ? 0.8849 0.9921 1.2386 -0.1927 -0.1783 0.1702 345 GLU B N 2470 C CA . GLU B 125 ? 0.9501 1.0652 1.3355 -0.1962 -0.1568 0.1862 345 GLU B CA 2471 C C . GLU B 125 ? 0.9116 1.0542 1.2939 -0.1804 -0.1549 0.1986 345 GLU B C 2472 O O . GLU B 125 ? 0.9821 1.1531 1.3692 -0.1748 -0.1750 0.1943 345 GLU B O 2473 C CB . GLU B 125 ? 1.0332 1.1732 1.4807 -0.2182 -0.1607 0.1768 345 GLU B CB 2474 C CG . GLU B 125 ? 1.1103 1.2652 1.5997 -0.2244 -0.1354 0.1903 345 GLU B CG 2475 C CD . GLU B 125 ? 1.2174 1.4078 1.7792 -0.2464 -0.1398 0.1772 345 GLU B CD 2476 O OE1 . GLU B 125 ? 1.2360 1.4079 1.8159 -0.2679 -0.1384 0.1636 345 GLU B OE1 2477 O OE2 . GLU B 125 ? 1.2694 1.5066 1.8733 -0.2418 -0.1442 0.1792 345 GLU B OE2 2478 N N . PRO B 126 ? 0.8708 1.0021 1.2420 -0.1727 -0.1307 0.2139 346 PRO B N 2479 C CA . PRO B 126 ? 0.8770 1.0300 1.2503 -0.1598 -0.1224 0.2242 346 PRO B CA 2480 C C . PRO B 126 ? 0.8696 1.0623 1.3029 -0.1657 -0.1229 0.2254 346 PRO B C 2481 O O . PRO B 126 ? 0.7869 0.9881 1.2625 -0.1825 -0.1195 0.2206 346 PRO B O 2482 C CB . PRO B 126 ? 0.8832 1.0110 1.2341 -0.1561 -0.0949 0.2362 346 PRO B CB 2483 C CG . PRO B 126 ? 0.8565 0.9590 1.2188 -0.1720 -0.0847 0.2369 346 PRO B CG 2484 C CD . PRO B 126 ? 0.8574 0.9505 1.2126 -0.1765 -0.1083 0.2221 346 PRO B CD 2485 N N . GLN B 127 ? 0.8640 1.0801 1.3039 -0.1517 -0.1269 0.2303 347 GLN B N 2486 C CA . GLN B 127 ? 0.8409 1.0945 1.3397 -0.1510 -0.1230 0.2331 347 GLN B CA 2487 C C . GLN B 127 ? 0.9023 1.1478 1.3923 -0.1425 -0.0925 0.2434 347 GLN B C 2488 O O . GLN B 127 ? 0.9811 1.2072 1.4241 -0.1300 -0.0886 0.2472 347 GLN B O 2489 C CB . GLN B 127 ? 0.9508 1.2321 1.4610 -0.1365 -0.1503 0.2327 347 GLN B CB 2490 C CG . GLN B 127 ? 1.0263 1.3053 1.5082 -0.1364 -0.1838 0.2241 347 GLN B CG 2491 C CD . GLN B 127 ? 1.1409 1.4235 1.6441 -0.1570 -0.1950 0.2091 347 GLN B CD 2492 O OE1 . GLN B 127 ? 1.2818 1.5916 1.8462 -0.1698 -0.1922 0.2033 347 GLN B OE1 2493 N NE2 . GLN B 127 ? 1.1515 1.4062 1.6079 -0.1618 -0.2050 0.2003 347 GLN B NE2 2494 N N . VAL B 128 ? 0.8399 1.1015 1.3758 -0.1504 -0.0693 0.2455 348 VAL B N 2495 C CA . VAL B 128 ? 0.7997 1.0493 1.3205 -0.1453 -0.0360 0.2531 348 VAL B CA 2496 C C . VAL B 128 ? 0.7408 1.0246 1.3141 -0.1368 -0.0246 0.2532 348 VAL B C 2497 O O . VAL B 128 ? 0.8521 1.1711 1.4906 -0.1432 -0.0285 0.2483 348 VAL B O 2498 C CB . VAL B 128 ? 0.8640 1.0890 1.3754 -0.1618 -0.0083 0.2573 348 VAL B CB 2499 C CG1 . VAL B 128 ? 0.8473 1.0552 1.3263 -0.1556 0.0244 0.2646 348 VAL B CG1 2500 C CG2 . VAL B 128 ? 0.8835 1.0718 1.3471 -0.1668 -0.0219 0.2572 348 VAL B CG2 2501 N N . CYS B 129 ? 0.7867 1.0616 1.3359 -0.1225 -0.0099 0.2565 349 CYS B N 2502 C CA . CYS B 129 ? 0.9278 1.2310 1.5253 -0.1095 -0.0012 0.2557 349 CYS B CA 2503 C C . CYS B 129 ? 0.9459 1.2348 1.5232 -0.1033 0.0328 0.2557 349 CYS B C 2504 O O . CYS B 129 ? 1.0489 1.3088 1.5671 -0.0974 0.0349 0.2557 349 CYS B O 2505 C CB . CYS B 129 ? 1.0190 1.3290 1.6152 -0.0913 -0.0315 0.2577 349 CYS B CB 2506 S SG . CYS B 129 ? 1.2580 1.6157 1.9272 -0.0900 -0.0638 0.2546 349 CYS B SG 2507 N N . THR B 130 ? 0.8082 1.1203 1.4372 -0.1050 0.0597 0.2527 350 THR B N 2508 C CA . THR B 130 ? 0.8192 1.1185 1.4290 -0.0998 0.0943 0.2496 350 THR B CA 2509 C C . THR B 130 ? 0.8580 1.1714 1.5003 -0.0790 0.0903 0.2466 350 THR B C 2510 O O . THR B 130 ? 0.8909 1.2371 1.5956 -0.0705 0.0727 0.2472 350 THR B O 2511 C CB . THR B 130 ? 0.8653 1.1807 1.5148 -0.1124 0.1312 0.2465 350 THR B CB 2512 O OG1 . THR B 130 ? 0.9743 1.3366 1.7136 -0.1113 0.1231 0.2424 350 THR B OG1 2513 C CG2 . THR B 130 ? 0.9250 1.2174 1.5387 -0.1333 0.1405 0.2525 350 THR B CG2 2514 N N . LEU B 131 ? 0.9452 1.2335 1.5463 -0.0699 0.1057 0.2424 351 LEU B N 2515 C CA . LEU B 131 ? 0.9451 1.2380 1.5768 -0.0498 0.1110 0.2387 351 LEU B CA 2516 C C . LEU B 131 ? 0.9219 1.2072 1.5521 -0.0476 0.1536 0.2268 351 LEU B C 2517 O O . LEU B 131 ? 1.1049 1.3647 1.6747 -0.0566 0.1705 0.2206 351 LEU B O 2518 C CB . LEU B 131 ? 0.9045 1.1708 1.4946 -0.0393 0.0866 0.2427 351 LEU B CB 2519 C CG . LEU B 131 ? 0.9392 1.2087 1.5206 -0.0403 0.0464 0.2529 351 LEU B CG 2520 C CD1 . LEU B 131 ? 0.9143 1.1527 1.4512 -0.0307 0.0327 0.2560 351 LEU B CD1 2521 C CD2 . LEU B 131 ? 0.9659 1.2735 1.6162 -0.0318 0.0255 0.2585 351 LEU B CD2 2522 N N . PRO B 132 ? 0.8674 1.1764 1.5644 -0.0345 0.1701 0.2218 352 PRO B N 2523 C CA . PRO B 132 ? 0.8997 1.2019 1.5992 -0.0313 0.2125 0.2074 352 PRO B CA 2524 C C . PRO B 132 ? 0.9626 1.2279 1.6187 -0.0200 0.2137 0.2006 352 PRO B C 2525 O O . PRO B 132 ? 0.9602 1.2100 1.5980 -0.0130 0.1833 0.2094 352 PRO B O 2526 C CB . PRO B 132 ? 0.8446 1.1852 1.6391 -0.0152 0.2203 0.2048 352 PRO B CB 2527 C CG . PRO B 132 ? 0.8635 1.2122 1.6820 0.0009 0.1746 0.2184 352 PRO B CG 2528 C CD . PRO B 132 ? 0.8654 1.2087 1.6384 -0.0182 0.1469 0.2279 352 PRO B CD 2529 N N . PRO B 133 ? 1.0620 1.3122 1.7025 -0.0192 0.2506 0.1834 353 PRO B N 2530 C CA . PRO B 133 ? 1.0472 1.2608 1.6503 -0.0115 0.2532 0.1729 353 PRO B CA 2531 C C . PRO B 133 ? 1.1109 1.3176 1.7603 0.0118 0.2385 0.1805 353 PRO B C 2532 O O . PRO B 133 ? 1.1639 1.3996 1.8815 0.0263 0.2302 0.1902 353 PRO B O 2533 C CB . PRO B 133 ? 1.1010 1.3062 1.6927 -0.0143 0.2982 0.1498 353 PRO B CB 2534 C CG . PRO B 133 ? 1.0290 1.2678 1.6630 -0.0195 0.3223 0.1504 353 PRO B CG 2535 C CD . PRO B 133 ? 0.9900 1.2535 1.6424 -0.0277 0.2931 0.1710 353 PRO B CD 2536 N N . SER B 134 ? 1.1589 1.3271 1.7718 0.0156 0.2344 0.1765 354 SER B N 2537 C CA . SER B 134 ? 1.1793 1.3273 1.8270 0.0391 0.2288 0.1841 354 SER B CA 2538 C C . SER B 134 ? 1.1473 1.2918 1.8405 0.0538 0.2668 0.1673 354 SER B C 2539 O O . SER B 134 ? 1.1427 1.2843 1.8149 0.0414 0.2995 0.1445 354 SER B O 2540 C CB . SER B 134 ? 1.1804 1.2826 1.7731 0.0344 0.2198 0.1836 354 SER B CB 2541 O OG . SER B 134 ? 1.2483 1.3280 1.8614 0.0555 0.2030 0.2025 354 SER B OG 2542 N N . ARG B 135 ? 1.1427 1.2868 1.8957 0.0816 0.2624 0.1776 355 ARG B N 2543 C CA . ARG B 135 ? 1.2587 1.4026 2.0648 0.0987 0.2993 0.1606 355 ARG B CA 2544 C C . ARG B 135 ? 1.2788 1.3708 2.0445 0.0937 0.3315 0.1373 355 ARG B C 2545 O O . ARG B 135 ? 1.3068 1.3985 2.0909 0.0950 0.3707 0.1128 355 ARG B O 2546 C CB . ARG B 135 ? 1.2873 1.4444 2.1730 0.1347 0.2854 0.1766 355 ARG B CB 2547 C CG . ARG B 135 ? 1.4173 1.6063 2.3801 0.1492 0.3206 0.1586 355 ARG B CG 2548 C CD . ARG B 135 ? 1.5262 1.6901 2.5447 0.1871 0.3306 0.1591 355 ARG B CD 2549 N NE . ARG B 135 ? 1.6278 1.8264 2.7165 0.2186 0.2938 0.1829 355 ARG B NE 2550 C CZ . ARG B 135 ? 1.7460 1.9567 2.9177 0.2563 0.2996 0.1828 355 ARG B CZ 2551 N NH1 . ARG B 135 ? 1.7401 1.9278 2.9387 0.2676 0.3454 0.1593 355 ARG B NH1 2552 N NH2 . ARG B 135 ? 1.7691 2.0172 2.9990 0.2845 0.2580 0.2047 355 ARG B NH2 2553 N N . ASP B 136 ? 1.2823 1.3313 1.9939 0.0861 0.3175 0.1418 356 ASP B N 2554 C CA . ASP B 136 ? 1.3801 1.3832 2.0536 0.0754 0.3473 0.1150 356 ASP B CA 2555 C C . ASP B 136 ? 1.3995 1.4200 2.0248 0.0475 0.3651 0.0883 356 ASP B C 2556 O O . ASP B 136 ? 1.4502 1.4517 2.0624 0.0415 0.3991 0.0578 356 ASP B O 2557 C CB . ASP B 136 ? 1.3829 1.3379 2.0140 0.0702 0.3313 0.1240 356 ASP B CB 2558 C CG . ASP B 136 ? 1.4167 1.3421 2.0829 0.1001 0.3175 0.1517 356 ASP B CG 2559 O OD1 . ASP B 136 ? 1.4662 1.4252 2.1805 0.1221 0.2972 0.1736 356 ASP B OD1 2560 O OD2 . ASP B 136 ? 1.4307 1.2986 2.0752 0.1014 0.3264 0.1518 356 ASP B OD2 2561 N N . GLU B 137 ? 1.3355 1.3896 1.9324 0.0319 0.3419 0.0996 357 GLU B N 2562 C CA . GLU B 137 ? 1.2929 1.3603 1.8362 0.0087 0.3541 0.0798 357 GLU B CA 2563 C C . GLU B 137 ? 1.3621 1.4514 1.9281 0.0103 0.3903 0.0644 357 GLU B C 2564 O O . GLU B 137 ? 1.4337 1.5201 1.9506 -0.0049 0.4123 0.0406 357 GLU B O 2565 C CB . GLU B 137 ? 1.2046 1.2955 1.7113 -0.0057 0.3210 0.0979 357 GLU B CB 2566 C CG . GLU B 137 ? 1.2061 1.2988 1.6434 -0.0266 0.3279 0.0786 357 GLU B CG 2567 C CD . GLU B 137 ? 1.2045 1.3148 1.6046 -0.0382 0.2966 0.0960 357 GLU B CD 2568 O OE1 . GLU B 137 ? 1.1830 1.3166 1.6141 -0.0347 0.2843 0.1188 357 GLU B OE1 2569 O OE2 . GLU B 137 ? 1.2151 1.3171 1.5583 -0.0505 0.2847 0.0844 357 GLU B OE2 2570 N N . LEU B 138 ? 1.3319 1.4453 1.9713 0.0287 0.3965 0.0767 358 LEU B N 2571 C CA . LEU B 138 ? 1.3982 1.5355 2.0703 0.0305 0.4357 0.0612 358 LEU B CA 2572 C C . LEU B 138 ? 1.4536 1.5606 2.1026 0.0289 0.4769 0.0257 358 LEU B C 2573 O O . LEU B 138 ? 1.5145 1.6329 2.1486 0.0199 0.5122 0.0060 358 LEU B O 2574 C CB . LEU B 138 ? 1.3607 1.5296 2.1312 0.0548 0.4364 0.0747 358 LEU B CB 2575 C CG . LEU B 138 ? 1.2773 1.4923 2.0840 0.0525 0.4076 0.1005 358 LEU B CG 2576 C CD1 . LEU B 138 ? 1.2856 1.5442 2.1926 0.0705 0.4263 0.0985 358 LEU B CD1 2577 C CD2 . LEU B 138 ? 1.1722 1.3975 1.9156 0.0232 0.4079 0.1021 358 LEU B CD2 2578 N N . THR B 139 ? 1.4754 1.5407 2.1175 0.0358 0.4739 0.0168 359 THR B N 2579 C CA . THR B 139 ? 1.5812 1.6125 2.2076 0.0344 0.5122 -0.0201 359 THR B CA 2580 C C . THR B 139 ? 1.5986 1.6171 2.1341 0.0066 0.5146 -0.0458 359 THR B C 2581 O O . THR B 139 ? 1.6670 1.6657 2.1784 0.0003 0.5474 -0.0820 359 THR B O 2582 C CB . THR B 139 ? 1.5618 1.5476 2.2282 0.0549 0.5151 -0.0212 359 THR B CB 2583 O OG1 . THR B 139 ? 1.5202 1.4785 2.1494 0.0461 0.4825 -0.0077 359 THR B OG1 2584 C CG2 . THR B 139 ? 1.5269 1.5285 2.2828 0.0877 0.5101 0.0037 359 THR B CG2 2585 N N . LYS B 140 ? 1.6289 1.6608 2.1155 -0.0086 0.4790 -0.0292 360 LYS B N 2586 C CA . LYS B 140 ? 1.6597 1.6873 2.0630 -0.0314 0.4752 -0.0521 360 LYS B CA 2587 C C . LYS B 140 ? 1.6443 1.6949 2.0088 -0.0399 0.4973 -0.0611 360 LYS B C 2588 O O . LYS B 140 ? 1.6078 1.6735 2.0140 -0.0307 0.5256 -0.0575 360 LYS B O 2589 C CB . LYS B 140 ? 1.6224 1.6540 1.9889 -0.0423 0.4300 -0.0340 360 LYS B CB 2590 C CG . LYS B 140 ? 1.5884 1.5876 1.9557 -0.0458 0.4182 -0.0438 360 LYS B CG 2591 C CD . LYS B 140 ? 1.6469 1.6159 2.0035 -0.0523 0.4511 -0.0874 360 LYS B CD 2592 C CE . LYS B 140 ? 1.5645 1.4897 1.9549 -0.0483 0.4560 -0.0916 360 LYS B CE 2593 N NZ . LYS B 140 ? 1.4649 1.3809 1.8221 -0.0672 0.4318 -0.0986 360 LYS B NZ 2594 N N . ASN B 141 ? 1.6165 1.6694 1.9007 -0.0567 0.4853 -0.0728 361 ASN B N 2595 C CA . ASN B 141 ? 1.5844 1.6490 1.8147 -0.0646 0.5084 -0.0821 361 ASN B CA 2596 C C . ASN B 141 ? 1.5330 1.6198 1.7378 -0.0690 0.4902 -0.0482 361 ASN B C 2597 O O . ASN B 141 ? 1.5321 1.6271 1.7157 -0.0725 0.5172 -0.0452 361 ASN B O 2598 C CB . ASN B 141 ? 1.6116 1.6626 1.7621 -0.0776 0.5118 -0.1200 361 ASN B CB 2599 C CG . ASN B 141 ? 1.6432 1.6973 1.7370 -0.0829 0.5464 -0.1357 361 ASN B CG 2600 O OD1 . ASN B 141 ? 1.5811 1.6307 1.7065 -0.0777 0.5904 -0.1508 361 ASN B OD1 2601 N ND2 . ASN B 141 ? 1.6632 1.7236 1.6719 -0.0916 0.5278 -0.1305 361 ASN B ND2 2602 N N . GLN B 142 ? 1.5481 1.6409 1.7526 -0.0699 0.4472 -0.0236 362 GLN B N 2603 C CA . GLN B 142 ? 1.5511 1.6603 1.7428 -0.0731 0.4294 0.0097 362 GLN B CA 2604 C C . GLN B 142 ? 1.4797 1.5987 1.7352 -0.0658 0.3977 0.0373 362 GLN B C 2605 O O . GLN B 142 ? 1.4206 1.5291 1.6994 -0.0610 0.3810 0.0318 362 GLN B O 2606 C CB . GLN B 142 ? 1.6482 1.7529 1.7494 -0.0822 0.4049 0.0087 362 GLN B CB 2607 C CG . GLN B 142 ? 1.7579 1.8520 1.7821 -0.0881 0.4284 -0.0209 362 GLN B CG 2608 C CD . GLN B 142 ? 1.7947 1.8871 1.7311 -0.0923 0.3958 -0.0209 362 GLN B CD 2609 O OE1 . GLN B 142 ? 1.7434 1.8364 1.6580 -0.0942 0.3715 -0.0437 362 GLN B OE1 2610 N NE2 . GLN B 142 ? 1.8383 1.9284 1.7270 -0.0932 0.3953 0.0047 362 GLN B NE2 2611 N N . VAL B 143 ? 1.3958 1.5328 1.6786 -0.0660 0.3909 0.0657 363 VAL B N 2612 C CA . VAL B 143 ? 1.2595 1.4083 1.6031 -0.0585 0.3606 0.0894 363 VAL B CA 2613 C C . VAL B 143 ? 1.2167 1.3658 1.5236 -0.0652 0.3202 0.1085 363 VAL B C 2614 O O . VAL B 143 ? 1.3000 1.4441 1.5440 -0.0742 0.3166 0.1105 363 VAL B O 2615 C CB . VAL B 143 ? 1.1472 1.3220 1.5712 -0.0518 0.3757 0.1039 363 VAL B CB 2616 C CG1 . VAL B 143 ? 1.0813 1.2564 1.5725 -0.0348 0.3937 0.0916 363 VAL B CG1 2617 C CG2 . VAL B 143 ? 1.1988 1.3833 1.6059 -0.0628 0.4096 0.1038 363 VAL B CG2 2618 N N . SER B 144 ? 1.1670 1.3193 1.5107 -0.0591 0.2903 0.1224 364 SER B N 2619 C CA . SER B 144 ? 1.1412 1.2940 1.4580 -0.0643 0.2528 0.1385 364 SER B CA 2620 C C . SER B 144 ? 1.1136 1.2856 1.4798 -0.0627 0.2359 0.1634 364 SER B C 2621 O O . SER B 144 ? 1.1050 1.2830 1.5196 -0.0531 0.2197 0.1720 364 SER B O 2622 C CB . SER B 144 ? 1.0572 1.1952 1.3587 -0.0627 0.2307 0.1297 364 SER B CB 2623 O OG . SER B 144 ? 1.0417 1.1707 1.2801 -0.0706 0.2296 0.1099 364 SER B OG 2624 N N . LEU B 145 ? 0.9524 1.1313 1.3029 -0.0722 0.2401 0.1745 365 LEU B N 2625 C CA . LEU B 145 ? 0.9023 1.0994 1.2961 -0.0753 0.2247 0.1941 365 LEU B CA 2626 C C . LEU B 145 ? 0.9103 1.0996 1.2767 -0.0775 0.1860 0.2042 365 LEU B C 2627 O O . LEU B 145 ? 0.9804 1.1523 1.2851 -0.0809 0.1768 0.2005 365 LEU B O 2628 C CB . LEU B 145 ? 0.9683 1.1685 1.3536 -0.0878 0.2484 0.2012 365 LEU B CB 2629 C CG . LEU B 145 ? 0.9972 1.2052 1.4033 -0.0890 0.2942 0.1901 365 LEU B CG 2630 C CD1 . LEU B 145 ? 0.9297 1.1387 1.3302 -0.1047 0.3169 0.2017 365 LEU B CD1 2631 C CD2 . LEU B 145 ? 1.0016 1.2365 1.4956 -0.0765 0.3013 0.1838 365 LEU B CD2 2632 N N . SER B 146 ? 0.8704 1.0744 1.2825 -0.0744 0.1621 0.2154 366 SER B N 2633 C CA . SER B 146 ? 0.9280 1.1233 1.3147 -0.0751 0.1271 0.2216 366 SER B CA 2634 C C . SER B 146 ? 0.9562 1.1628 1.3624 -0.0832 0.1082 0.2352 366 SER B C 2635 O O . SER B 146 ? 0.9091 1.1389 1.3725 -0.0850 0.1126 0.2400 366 SER B O 2636 C CB . SER B 146 ? 0.8966 1.0889 1.3009 -0.0634 0.1122 0.2197 366 SER B CB 2637 O OG . SER B 146 ? 0.9105 1.0887 1.3024 -0.0580 0.1336 0.2048 366 SER B OG 2638 N N . CYS B 147 ? 0.9299 1.1215 1.2928 -0.0883 0.0878 0.2386 367 CYS B N 2639 C CA . CYS B 147 ? 0.9701 1.1670 1.3487 -0.0964 0.0681 0.2483 367 CYS B CA 2640 C C . CYS B 147 ? 0.9686 1.1624 1.3366 -0.0927 0.0343 0.2487 367 CYS B C 2641 O O . CYS B 147 ? 1.0332 1.2095 1.3541 -0.0920 0.0238 0.2449 367 CYS B O 2642 C CB . CYS B 147 ? 0.9654 1.1423 1.3042 -0.1063 0.0773 0.2537 367 CYS B CB 2643 S SG . CYS B 147 ? 1.0690 1.2519 1.4468 -0.1217 0.0718 0.2634 367 CYS B SG 2644 N N . ALA B 148 ? 0.8882 1.1004 1.2988 -0.0894 0.0170 0.2521 368 ALA B N 2645 C CA . ALA B 148 ? 0.8431 1.0494 1.2351 -0.0869 -0.0124 0.2526 368 ALA B CA 2646 C C . ALA B 148 ? 0.7911 0.9957 1.1793 -0.0987 -0.0282 0.2542 368 ALA B C 2647 O O . ALA B 148 ? 0.7252 0.9447 1.1520 -0.1077 -0.0258 0.2565 368 ALA B O 2648 C CB . ALA B 148 ? 0.8060 1.0264 1.2303 -0.0757 -0.0275 0.2567 368 ALA B CB 2649 N N . VAL B 149 ? 0.6748 0.8609 1.0196 -0.0994 -0.0419 0.2506 369 VAL B N 2650 C CA . VAL B 149 ? 0.8034 0.9823 1.1427 -0.1090 -0.0561 0.2500 369 VAL B CA 2651 C C . VAL B 149 ? 0.8579 1.0314 1.1738 -0.1062 -0.0804 0.2444 369 VAL B C 2652 O O . VAL B 149 ? 0.8380 0.9977 1.1159 -0.1009 -0.0803 0.2389 369 VAL B O 2653 C CB . VAL B 149 ? 0.8200 0.9748 1.1245 -0.1125 -0.0425 0.2513 369 VAL B CB 2654 C CG1 . VAL B 149 ? 0.7420 0.8821 1.0447 -0.1223 -0.0536 0.2517 369 VAL B CG1 2655 C CG2 . VAL B 149 ? 0.6886 0.8446 1.0030 -0.1148 -0.0138 0.2572 369 VAL B CG2 2656 N N . LYS B 150 ? 0.8865 1.0732 1.2257 -0.1103 -0.1006 0.2436 370 LYS B N 2657 C CA . LYS B 150 ? 0.8902 1.0723 1.2036 -0.1070 -0.1216 0.2388 370 LYS B CA 2658 C C . LYS B 150 ? 0.8642 1.0460 1.1791 -0.1170 -0.1421 0.2309 370 LYS B C 2659 O O . LYS B 150 ? 0.8374 1.0246 1.1825 -0.1280 -0.1412 0.2295 370 LYS B O 2660 C CB . LYS B 150 ? 1.0025 1.1966 1.3255 -0.0958 -0.1285 0.2454 370 LYS B CB 2661 C CG . LYS B 150 ? 1.0306 1.2468 1.3815 -0.0947 -0.1542 0.2473 370 LYS B CG 2662 C CD . LYS B 150 ? 1.1155 1.3184 1.4233 -0.0868 -0.1703 0.2490 370 LYS B CD 2663 C CE . LYS B 150 ? 1.1395 1.3623 1.4605 -0.0822 -0.2016 0.2511 370 LYS B CE 2664 N NZ . LYS B 150 ? 1.1416 1.3801 1.4947 -0.0653 -0.2040 0.2645 370 LYS B NZ 2665 N N . GLY B 151 ? 0.8978 1.0704 1.1782 -0.1148 -0.1571 0.2242 371 GLY B N 2666 C CA . GLY B 151 ? 0.8661 1.0361 1.1390 -0.1236 -0.1775 0.2126 371 GLY B CA 2667 C C . GLY B 151 ? 0.8960 1.0455 1.1624 -0.1327 -0.1730 0.2030 371 GLY B C 2668 O O . GLY B 151 ? 0.8677 1.0163 1.1430 -0.1434 -0.1875 0.1921 371 GLY B O 2669 N N . PHE B 152 ? 0.7920 0.9236 1.0418 -0.1278 -0.1546 0.2059 372 PHE B N 2670 C CA . PHE B 152 ? 0.7844 0.8919 1.0293 -0.1328 -0.1504 0.2012 372 PHE B CA 2671 C C . PHE B 152 ? 0.8275 0.9166 1.0378 -0.1269 -0.1555 0.1882 372 PHE B C 2672 O O . PHE B 152 ? 0.8900 0.9840 1.0774 -0.1177 -0.1532 0.1848 372 PHE B O 2673 C CB . PHE B 152 ? 0.8057 0.9020 1.0556 -0.1309 -0.1298 0.2137 372 PHE B CB 2674 C CG . PHE B 152 ? 0.7820 0.8819 1.0104 -0.1178 -0.1176 0.2191 372 PHE B CG 2675 C CD1 . PHE B 152 ? 0.7575 0.8780 1.0014 -0.1155 -0.1094 0.2259 372 PHE B CD1 2676 C CD2 . PHE B 152 ? 0.8605 0.9430 1.0567 -0.1070 -0.1142 0.2157 372 PHE B CD2 2677 C CE1 . PHE B 152 ? 0.7865 0.9084 1.0119 -0.1059 -0.0966 0.2272 372 PHE B CE1 2678 C CE2 . PHE B 152 ? 0.8577 0.9478 1.0369 -0.0966 -0.1048 0.2163 372 PHE B CE2 2679 C CZ . PHE B 152 ? 0.7870 0.8956 0.9799 -0.0977 -0.0950 0.2212 372 PHE B CZ 2680 N N . TYR B 153 ? 0.7685 0.8365 0.9785 -0.1329 -0.1606 0.1788 373 TYR B N 2681 C CA . TYR B 153 ? 0.8217 0.8711 1.0038 -0.1241 -0.1622 0.1654 373 TYR B CA 2682 C C . TYR B 153 ? 0.9153 0.9311 1.1021 -0.1263 -0.1589 0.1641 373 TYR B C 2683 O O . TYR B 153 ? 1.0165 1.0257 1.2271 -0.1414 -0.1602 0.1652 373 TYR B O 2684 C CB . TYR B 153 ? 0.8077 0.8640 0.9744 -0.1281 -0.1754 0.1477 373 TYR B CB 2685 C CG . TYR B 153 ? 0.7740 0.8176 0.9151 -0.1185 -0.1730 0.1306 373 TYR B CG 2686 C CD1 . TYR B 153 ? 0.7322 0.7895 0.8558 -0.1089 -0.1653 0.1276 373 TYR B CD1 2687 C CD2 . TYR B 153 ? 0.8014 0.8204 0.9405 -0.1202 -0.1768 0.1148 373 TYR B CD2 2688 C CE1 . TYR B 153 ? 0.7562 0.8086 0.8655 -0.1009 -0.1612 0.1089 373 TYR B CE1 2689 C CE2 . TYR B 153 ? 0.8102 0.8205 0.9324 -0.1097 -0.1733 0.0968 373 TYR B CE2 2690 C CZ . TYR B 153 ? 0.8700 0.9001 0.9791 -0.1001 -0.1656 0.0935 373 TYR B CZ 2691 O OH . TYR B 153 ? 0.9236 0.9511 1.0244 -0.0903 -0.1602 0.0730 373 TYR B OH 2692 N N . PRO B 154 ? 0.8605 0.8549 1.0276 -0.1107 -0.1544 0.1618 374 PRO B N 2693 C CA . PRO B 154 ? 0.8097 0.8191 0.9581 -0.0933 -0.1519 0.1592 374 PRO B CA 2694 C C . PRO B 154 ? 0.8516 0.8753 0.9992 -0.0883 -0.1424 0.1763 374 PRO B C 2695 O O . PRO B 154 ? 0.8520 0.8754 1.0137 -0.0979 -0.1358 0.1909 374 PRO B O 2696 C CB . PRO B 154 ? 0.7533 0.7365 0.8901 -0.0770 -0.1532 0.1513 374 PRO B CB 2697 C CG . PRO B 154 ? 0.8858 0.8307 1.0302 -0.0845 -0.1521 0.1565 374 PRO B CG 2698 C CD . PRO B 154 ? 0.8467 0.8014 1.0122 -0.1091 -0.1542 0.1562 374 PRO B CD 2699 N N . SER B 155 ? 0.8417 0.8810 0.9764 -0.0749 -0.1405 0.1710 375 SER B N 2700 C CA . SER B 155 ? 0.8713 0.9277 1.0035 -0.0718 -0.1318 0.1811 375 SER B CA 2701 C C . SER B 155 ? 0.9106 0.9478 1.0304 -0.0630 -0.1257 0.1969 375 SER B C 2702 O O . SER B 155 ? 0.9296 0.9767 1.0444 -0.0622 -0.1164 0.2058 375 SER B O 2703 C CB . SER B 155 ? 0.8490 0.9297 0.9746 -0.0640 -0.1313 0.1657 375 SER B CB 2704 O OG . SER B 155 ? 0.9188 0.9974 1.0348 -0.0469 -0.1365 0.1573 375 SER B OG 2705 N N . ASP B 156 ? 0.9222 0.9275 1.0333 -0.0563 -0.1297 0.2005 376 ASP B N 2706 C CA . ASP B 156 ? 0.9637 0.9405 1.0526 -0.0460 -0.1239 0.2184 376 ASP B CA 2707 C C . ASP B 156 ? 0.9467 0.9175 1.0442 -0.0629 -0.1071 0.2361 376 ASP B C 2708 O O . ASP B 156 ? 0.9953 0.9579 1.1172 -0.0804 -0.1033 0.2379 376 ASP B O 2709 C CB . ASP B 156 ? 1.0366 0.9722 1.1163 -0.0358 -0.1302 0.2195 376 ASP B CB 2710 C CG . ASP B 156 ? 1.1591 1.1067 1.2393 -0.0178 -0.1455 0.1979 376 ASP B CG 2711 O OD1 . ASP B 156 ? 1.4160 1.3724 1.4799 0.0043 -0.1532 0.1962 376 ASP B OD1 2712 O OD2 . ASP B 156 ? 1.2172 1.1683 1.3145 -0.0250 -0.1499 0.1805 376 ASP B OD2 2713 N N . ILE B 157 ? 1.0029 0.9818 1.0831 -0.0581 -0.0968 0.2460 377 ILE B N 2714 C CA . ILE B 157 ? 0.9342 0.9144 1.0251 -0.0730 -0.0767 0.2598 377 ILE B CA 2715 C C . ILE B 157 ? 0.9829 0.9559 1.0373 -0.0635 -0.0633 0.2720 377 ILE B C 2716 O O . ILE B 157 ? 1.0733 1.0486 1.0952 -0.0448 -0.0736 0.2677 377 ILE B O 2717 C CB . ILE B 157 ? 0.9225 0.9421 1.0487 -0.0848 -0.0758 0.2502 377 ILE B CB 2718 C CG1 . ILE B 157 ? 0.9324 0.9560 1.0850 -0.1006 -0.0561 0.2618 377 ILE B CG1 2719 C CG2 . ILE B 157 ? 0.8645 0.9109 0.9776 -0.0740 -0.0784 0.2396 377 ILE B CG2 2720 C CD1 . ILE B 157 ? 0.9177 0.9733 1.1157 -0.1121 -0.0615 0.2540 377 ILE B CD1 2721 N N . ALA B 158 ? 0.9885 0.9575 1.0508 -0.0769 -0.0404 0.2845 378 ALA B N 2722 C CA . ALA B 158 ? 0.9095 0.8619 0.9311 -0.0713 -0.0221 0.2985 378 ALA B CA 2723 C C . ALA B 158 ? 0.9372 0.9061 0.9894 -0.0895 0.0042 0.3022 378 ALA B C 2724 O O . ALA B 158 ? 1.0069 0.9700 1.0970 -0.1076 0.0159 0.3078 378 ALA B O 2725 C CB . ALA B 158 ? 0.9479 0.8468 0.9344 -0.0673 -0.0158 0.3185 378 ALA B CB 2726 N N . VAL B 159 ? 0.8613 0.8526 0.9021 -0.0850 0.0133 0.2961 379 VAL B N 2727 C CA . VAL B 159 ? 0.8478 0.8601 0.9208 -0.0979 0.0387 0.2954 379 VAL B CA 2728 C C . VAL B 159 ? 0.9806 0.9781 1.0041 -0.0934 0.0627 0.3026 379 VAL B C 2729 O O . VAL B 159 ? 0.9972 0.9867 0.9670 -0.0773 0.0516 0.2996 379 VAL B O 2730 C CB . VAL B 159 ? 0.8524 0.9052 0.9597 -0.0958 0.0291 0.2771 379 VAL B CB 2731 C CG1 . VAL B 159 ? 0.7974 0.8691 0.9317 -0.1029 0.0561 0.2752 379 VAL B CG1 2732 C CG2 . VAL B 159 ? 0.8053 0.8738 0.9571 -0.1008 0.0074 0.2706 379 VAL B CG2 2733 N N . GLU B 160 ? 1.0734 1.0690 1.1143 -0.1076 0.0956 0.3103 380 GLU B N 2734 C CA . GLU B 160 ? 1.1577 1.1389 1.1488 -0.1054 0.1239 0.3158 380 GLU B CA 2735 C C . GLU B 160 ? 1.2128 1.2163 1.2531 -0.1209 0.1587 0.3120 380 GLU B C 2736 O O . GLU B 160 ? 1.1562 1.1808 1.2680 -0.1340 0.1609 0.3101 380 GLU B O 2737 C CB . GLU B 160 ? 1.3424 1.2702 1.2686 -0.1038 0.1366 0.3396 380 GLU B CB 2738 C CG . GLU B 160 ? 1.4339 1.3298 1.3608 -0.1037 0.1186 0.3527 380 GLU B CG 2739 C CD . GLU B 160 ? 1.6173 1.4530 1.4636 -0.0937 0.1266 0.3774 380 GLU B CD 2740 O OE1 . GLU B 160 ? 1.6419 1.4562 1.4372 -0.0949 0.1558 0.3891 380 GLU B OE1 2741 O OE2 . GLU B 160 ? 1.7289 1.5352 1.5584 -0.0831 0.1041 0.3858 380 GLU B OE2 2742 N N . TRP B 161 ? 1.3144 1.3154 1.3172 -0.1183 0.1848 0.3087 381 TRP B N 2743 C CA . TRP B 161 ? 1.2681 1.2894 1.3134 -0.1306 0.2232 0.3029 381 TRP B CA 2744 C C . TRP B 161 ? 1.3872 1.3748 1.3814 -0.1394 0.2657 0.3174 381 TRP B C 2745 O O . TRP B 161 ? 1.3401 1.2950 1.2453 -0.1290 0.2668 0.3248 381 TRP B O 2746 C CB . TRP B 161 ? 1.2699 1.3205 1.3237 -0.1212 0.2244 0.2803 381 TRP B CB 2747 C CG . TRP B 161 ? 1.3023 1.3856 1.4133 -0.1151 0.1951 0.2660 381 TRP B CG 2748 C CD1 . TRP B 161 ? 1.3129 1.3990 1.4026 -0.1033 0.1609 0.2566 381 TRP B CD1 2749 C CD2 . TRP B 161 ? 1.2695 1.3861 1.4652 -0.1193 0.1987 0.2594 381 TRP B CD2 2750 N NE1 . TRP B 161 ? 1.2616 1.3744 1.4109 -0.1017 0.1462 0.2469 381 TRP B NE1 2751 C CE2 . TRP B 161 ? 1.2395 1.3706 1.4519 -0.1094 0.1663 0.2495 381 TRP B CE2 2752 C CE3 . TRP B 161 ? 1.2604 1.3972 1.5207 -0.1296 0.2257 0.2605 381 TRP B CE3 2753 C CZ2 . TRP B 161 ? 1.2174 1.3762 1.4991 -0.1072 0.1587 0.2443 381 TRP B CZ2 2754 C CZ3 . TRP B 161 ? 1.2936 1.4654 1.6313 -0.1259 0.2146 0.2528 381 TRP B CZ3 2755 C CH2 . TRP B 161 ? 1.2820 1.4615 1.6251 -0.1137 0.1804 0.2465 381 TRP B CH2 2756 N N . GLU B 162 ? 1.4079 1.4060 1.4598 -0.1585 0.3007 0.3204 382 GLU B N 2757 C CA . GLU B 162 ? 1.5377 1.5078 1.5540 -0.1716 0.3509 0.3321 382 GLU B CA 2758 C C . GLU B 162 ? 1.5368 1.5482 1.6305 -0.1835 0.3874 0.3163 382 GLU B C 2759 O O . GLU B 162 ? 1.4908 1.5468 1.6766 -0.1851 0.3720 0.3036 382 GLU B O 2760 C CB . GLU B 162 ? 1.5571 1.4870 1.5667 -0.1878 0.3631 0.3560 382 GLU B CB 2761 C CG . GLU B 162 ? 1.5457 1.4954 1.6347 -0.1960 0.3337 0.3538 382 GLU B CG 2762 C CD . GLU B 162 ? 1.6159 1.5361 1.6580 -0.1809 0.2892 0.3629 382 GLU B CD 2763 O OE1 . GLU B 162 ? 1.4658 1.4064 1.4978 -0.1616 0.2519 0.3507 382 GLU B OE1 2764 O OE2 . GLU B 162 ? 1.8206 1.6957 1.8390 -0.1889 0.2934 0.3816 382 GLU B OE2 2765 N N . SER B 163 ? 1.5835 1.5801 1.6375 -0.1897 0.4348 0.3165 383 SER B N 2766 C CA . SER B 163 ? 1.6202 1.6535 1.7481 -0.2018 0.4788 0.3012 383 SER B CA 2767 C C . SER B 163 ? 1.6924 1.6947 1.7958 -0.2243 0.5368 0.3159 383 SER B C 2768 O O . SER B 163 ? 1.8326 1.7825 1.8278 -0.2227 0.5539 0.3317 383 SER B O 2769 C CB . SER B 163 ? 1.6280 1.6810 1.7402 -0.1865 0.4866 0.2780 383 SER B CB 2770 O OG . SER B 163 ? 1.6411 1.7237 1.8167 -0.1965 0.5354 0.2633 383 SER B OG 2771 N N . ASN B 164 ? 1.6426 1.6779 1.8463 -0.2449 0.5672 0.3101 384 ASN B N 2772 C CA . ASN B 164 ? 1.7559 1.7639 1.9546 -0.2725 0.6255 0.3236 384 ASN B CA 2773 C C . ASN B 164 ? 1.7963 1.7306 1.8980 -0.2782 0.6217 0.3555 384 ASN B C 2774 O O . ASN B 164 ? 1.8032 1.6865 1.8256 -0.2888 0.6677 0.3727 384 ASN B O 2775 C CB . ASN B 164 ? 1.8217 1.8261 1.9865 -0.2773 0.6871 0.3145 384 ASN B CB 2776 C CG . ASN B 164 ? 1.7804 1.8441 2.0116 -0.2622 0.6864 0.2828 384 ASN B CG 2777 O OD1 . ASN B 164 ? 1.7202 1.8425 2.0747 -0.2653 0.6834 0.2659 384 ASN B OD1 2778 N ND2 . ASN B 164 ? 1.8562 1.9032 2.0046 -0.2448 0.6890 0.2739 384 ASN B ND2 2779 N N . GLY B 165 ? 1.7636 1.6895 1.8680 -0.2693 0.5676 0.3635 385 GLY B N 2780 C CA . GLY B 165 ? 1.8552 1.7108 1.8756 -0.2700 0.5574 0.3930 385 GLY B CA 2781 C C . GLY B 165 ? 1.9235 1.7237 1.8022 -0.2491 0.5567 0.4098 385 GLY B C 2782 O O . GLY B 165 ? 1.9001 1.6382 1.6977 -0.2577 0.5938 0.4346 385 GLY B O 2783 N N . GLN B 166 ? 1.9376 1.7605 1.7867 -0.2219 0.5138 0.3956 386 GLN B N 2784 C CA . GLN B 166 ? 2.0131 1.7991 1.7365 -0.1991 0.5035 0.4033 386 GLN B CA 2785 C C . GLN B 166 ? 1.9637 1.7802 1.6851 -0.1725 0.4413 0.3863 386 GLN B C 2786 O O . GLN B 166 ? 1.9828 1.8556 1.7818 -0.1707 0.4276 0.3601 386 GLN B O 2787 C CB . GLN B 166 ? 2.0343 1.8276 1.7231 -0.2030 0.5510 0.3908 386 GLN B CB 2788 C CG . GLN B 166 ? 2.1142 1.8460 1.7200 -0.2177 0.6077 0.4165 386 GLN B CG 2789 C CD . GLN B 166 ? 2.2140 1.8769 1.6835 -0.1977 0.5851 0.4457 386 GLN B CD 2790 O OE1 . GLN B 166 ? 2.2506 1.9126 1.6402 -0.1730 0.5569 0.4379 386 GLN B OE1 2791 N NE2 . GLN B 166 ? 2.2278 1.8325 1.6720 -0.2074 0.5962 0.4783 386 GLN B NE2 2792 N N . PRO B 167 ? 1.9338 1.7126 1.5669 -0.1510 0.4051 0.4008 387 PRO B N 2793 C CA . PRO B 167 ? 1.7873 1.5964 1.4286 -0.1285 0.3464 0.3841 387 PRO B CA 2794 C C . PRO B 167 ? 1.6820 1.5390 1.3371 -0.1212 0.3424 0.3516 387 PRO B C 2795 O O . PRO B 167 ? 1.6937 1.5424 1.2928 -0.1210 0.3720 0.3459 387 PRO B O 2796 C CB . PRO B 167 ? 1.8340 1.5927 1.3633 -0.1057 0.3210 0.4046 387 PRO B CB 2797 C CG . PRO B 167 ? 1.9538 1.6656 1.3944 -0.1113 0.3680 0.4232 387 PRO B CG 2798 C CD . PRO B 167 ? 1.9799 1.6898 1.4908 -0.1431 0.4202 0.4300 387 PRO B CD 2799 N N . GLU B 168 ? 1.6323 1.5352 1.3599 -0.1163 0.3090 0.3304 388 GLU B N 2800 C CA . GLU B 168 ? 1.5598 1.5012 1.3001 -0.1086 0.3021 0.2995 388 GLU B CA 2801 C C . GLU B 168 ? 1.5186 1.4627 1.2097 -0.0879 0.2551 0.2896 388 GLU B C 2802 O O . GLU B 168 ? 1.5305 1.4634 1.2167 -0.0795 0.2217 0.3019 388 GLU B O 2803 C CB . GLU B 168 ? 1.5299 1.5170 1.3816 -0.1164 0.2994 0.2830 388 GLU B CB 2804 C CG . GLU B 168 ? 1.6501 1.6496 1.5626 -0.1343 0.3465 0.2835 388 GLU B CG 2805 C CD . GLU B 168 ? 1.7677 1.7694 1.6486 -0.1349 0.3859 0.2672 388 GLU B CD 2806 O OE1 . GLU B 168 ? 1.7578 1.7743 1.6223 -0.1231 0.3714 0.2441 388 GLU B OE1 2807 O OE2 . GLU B 168 ? 1.8325 1.8202 1.7058 -0.1485 0.4333 0.2754 388 GLU B OE2 2808 N N . ASN B 169 ? 1.5823 1.5427 1.2403 -0.0803 0.2533 0.2645 389 ASN B N 2809 C CA . ASN B 169 ? 1.6289 1.5964 1.2385 -0.0618 0.2102 0.2508 389 ASN B CA 2810 C C . ASN B 169 ? 1.5255 1.5355 1.1987 -0.0608 0.1868 0.2207 389 ASN B C 2811 O O . ASN B 169 ? 1.5052 1.5272 1.1823 -0.0505 0.1474 0.2147 389 ASN B O 2812 C CB . ASN B 169 ? 1.7954 1.7474 1.3047 -0.0529 0.2190 0.2422 389 ASN B CB 2813 C CG . ASN B 169 ? 1.9825 1.8889 1.3971 -0.0394 0.2090 0.2725 389 ASN B CG 2814 O OD1 . ASN B 169 ? 2.0654 1.9554 1.4897 -0.0325 0.1851 0.2947 389 ASN B OD1 2815 N ND2 . ASN B 169 ? 2.0154 1.8975 1.3336 -0.0343 0.2274 0.2739 389 ASN B ND2 2816 N N . ASN B 170 ? 1.5324 1.5624 1.2548 -0.0712 0.2142 0.2017 390 ASN B N 2817 C CA . ASN B 170 ? 1.4216 1.4827 1.1910 -0.0709 0.2010 0.1712 390 ASN B CA 2818 C C . ASN B 170 ? 1.3046 1.3829 1.1616 -0.0750 0.1869 0.1768 390 ASN B C 2819 O O . ASN B 170 ? 1.1864 1.2775 1.1091 -0.0818 0.2062 0.1722 390 ASN B O 2820 C CB . ASN B 170 ? 1.5258 1.5931 1.3002 -0.0772 0.2382 0.1481 390 ASN B CB 2821 C CG . ASN B 170 ? 1.6746 1.7548 1.4168 -0.0729 0.2251 0.1123 390 ASN B CG 2822 O OD1 . ASN B 170 ? 1.7664 1.8498 1.4602 -0.0639 0.1911 0.1058 390 ASN B OD1 2823 N ND2 . ASN B 170 ? 1.7299 1.8182 1.5019 -0.0789 0.2524 0.0867 390 ASN B ND2 2824 N N . TYR B 171 ? 1.2404 1.3183 1.0956 -0.0688 0.1517 0.1866 391 TYR B N 2825 C CA . TYR B 171 ? 1.1582 1.2490 1.0821 -0.0722 0.1358 0.1923 391 TYR B CA 2826 C C . TYR B 171 ? 1.1092 1.2082 1.0217 -0.0635 0.0969 0.1844 391 TYR B C 2827 O O . TYR B 171 ? 1.1499 1.2376 1.0097 -0.0536 0.0786 0.1905 391 TYR B O 2828 C CB . TYR B 171 ? 1.1846 1.2621 1.1350 -0.0791 0.1451 0.2204 391 TYR B CB 2829 C CG . TYR B 171 ? 1.2448 1.2976 1.1551 -0.0741 0.1259 0.2414 391 TYR B CG 2830 C CD1 . TYR B 171 ? 1.1632 1.2205 1.0950 -0.0696 0.0928 0.2436 391 TYR B CD1 2831 C CD2 . TYR B 171 ? 1.3271 1.3471 1.1766 -0.0735 0.1439 0.2599 391 TYR B CD2 2832 C CE1 . TYR B 171 ? 1.2480 1.2796 1.1474 -0.0632 0.0766 0.2614 391 TYR B CE1 2833 C CE2 . TYR B 171 ? 1.3302 1.3195 1.1425 -0.0669 0.1279 0.2815 391 TYR B CE2 2834 C CZ . TYR B 171 ? 1.3749 1.3706 1.2151 -0.0611 0.0935 0.2813 391 TYR B CZ 2835 O OH . TYR B 171 ? 1.2935 1.2563 1.1014 -0.0526 0.0777 0.3008 391 TYR B OH 2836 N N . LYS B 172 ? 1.0335 1.1513 0.9952 -0.0663 0.0858 0.1706 392 LYS B N 2837 C CA . LYS B 172 ? 1.0016 1.1297 0.9667 -0.0610 0.0533 0.1636 392 LYS B CA 2838 C C . LYS B 172 ? 0.9443 1.0744 0.9628 -0.0659 0.0453 0.1763 392 LYS B C 2839 O O . LYS B 172 ? 0.9750 1.1058 1.0350 -0.0726 0.0616 0.1837 392 LYS B O 2840 C CB . LYS B 172 ? 0.9805 1.1279 0.9471 -0.0619 0.0480 0.1316 392 LYS B CB 2841 C CG . LYS B 172 ? 1.0336 1.1828 0.9486 -0.0586 0.0557 0.1131 392 LYS B CG 2842 C CD . LYS B 172 ? 1.0432 1.1929 0.9025 -0.0447 0.0283 0.1156 392 LYS B CD 2843 C CE . LYS B 172 ? 1.0600 1.2294 0.8829 -0.0406 0.0175 0.0828 392 LYS B CE 2844 N NZ . LYS B 172 ? 1.1343 1.3108 0.9156 -0.0228 -0.0179 0.0849 392 LYS B NZ 2845 N N . THR B 173 ? 0.9116 1.0441 0.9285 -0.0612 0.0192 0.1774 393 THR B N 2846 C CA . THR B 173 ? 0.9133 1.0449 0.9693 -0.0654 0.0096 0.1890 393 THR B CA 2847 C C . THR B 173 ? 0.8548 0.9996 0.9213 -0.0637 -0.0112 0.1739 393 THR B C 2848 O O . THR B 173 ? 0.9524 1.1040 0.9946 -0.0556 -0.0274 0.1624 393 THR B O 2849 C CB . THR B 173 ? 0.9091 1.0208 0.9553 -0.0647 0.0064 0.2122 393 THR B CB 2850 O OG1 . THR B 173 ? 0.8774 0.9819 0.9357 -0.0724 0.0323 0.2249 393 THR B OG1 2851 C CG2 . THR B 173 ? 0.8205 0.9316 0.8969 -0.0677 -0.0108 0.2184 393 THR B CG2 2852 N N . THR B 174 ? 0.7669 0.9160 0.8699 -0.0705 -0.0100 0.1736 394 THR B N 2853 C CA . THR B 174 ? 0.7181 0.8773 0.8303 -0.0720 -0.0217 0.1584 394 THR B CA 2854 C C . THR B 174 ? 0.6755 0.8313 0.7821 -0.0675 -0.0413 0.1652 394 THR B C 2855 O O . THR B 174 ? 0.7702 0.9125 0.8759 -0.0667 -0.0437 0.1836 394 THR B O 2856 C CB . THR B 174 ? 0.7300 0.8861 0.8733 -0.0793 -0.0133 0.1614 394 THR B CB 2857 O OG1 . THR B 174 ? 0.6650 0.8145 0.8235 -0.0800 -0.0222 0.1805 394 THR B OG1 2858 C CG2 . THR B 174 ? 0.7160 0.8685 0.8719 -0.0812 0.0098 0.1604 394 THR B CG2 2859 N N . PRO B 175 ? 0.6325 0.8001 0.7388 -0.0655 -0.0534 0.1485 395 PRO B N 2860 C CA . PRO B 175 ? 0.6169 0.7807 0.7225 -0.0607 -0.0703 0.1519 395 PRO B CA 2861 C C . PRO B 175 ? 0.7299 0.8834 0.8546 -0.0692 -0.0696 0.1641 395 PRO B C 2862 O O . PRO B 175 ? 0.6887 0.8409 0.8285 -0.0768 -0.0582 0.1690 395 PRO B O 2863 C CB . PRO B 175 ? 0.6623 0.8474 0.7730 -0.0592 -0.0771 0.1264 395 PRO B CB 2864 C CG . PRO B 175 ? 0.6210 0.8222 0.7290 -0.0615 -0.0680 0.1087 395 PRO B CG 2865 C CD . PRO B 175 ? 0.6343 0.8203 0.7459 -0.0693 -0.0493 0.1229 395 PRO B CD 2866 N N . PRO B 176 ? 0.7106 0.8553 0.8340 -0.0666 -0.0828 0.1685 396 PRO B N 2867 C CA . PRO B 176 ? 0.7370 0.8750 0.8747 -0.0751 -0.0853 0.1762 396 PRO B CA 2868 C C . PRO B 176 ? 0.7007 0.8470 0.8410 -0.0802 -0.0824 0.1628 396 PRO B C 2869 O O . PRO B 176 ? 0.6563 0.8127 0.7919 -0.0774 -0.0843 0.1448 396 PRO B O 2870 C CB . PRO B 176 ? 0.7585 0.8838 0.8908 -0.0713 -0.0991 0.1780 396 PRO B CB 2871 C CG . PRO B 176 ? 0.6589 0.7786 0.7736 -0.0591 -0.1020 0.1785 396 PRO B CG 2872 C CD . PRO B 176 ? 0.6381 0.7789 0.7479 -0.0553 -0.0970 0.1636 396 PRO B CD 2873 N N . VAL B 177 ? 0.7095 0.8515 0.8574 -0.0868 -0.0768 0.1713 397 VAL B N 2874 C CA . VAL B 177 ? 0.7213 0.8615 0.8627 -0.0924 -0.0717 0.1630 397 VAL B CA 2875 C C . VAL B 177 ? 0.7445 0.8757 0.8780 -0.0953 -0.0838 0.1691 397 VAL B C 2876 O O . VAL B 177 ? 0.8170 0.9447 0.9588 -0.0952 -0.0928 0.1840 397 VAL B O 2877 C CB . VAL B 177 ? 0.7487 0.8822 0.8942 -0.0960 -0.0559 0.1684 397 VAL B CB 2878 C CG1 . VAL B 177 ? 0.7553 0.8846 0.8898 -0.1034 -0.0433 0.1543 397 VAL B CG1 2879 C CG2 . VAL B 177 ? 0.7074 0.8459 0.8641 -0.0936 -0.0438 0.1671 397 VAL B CG2 2880 N N . LEU B 178 ? 0.7728 0.9031 0.8919 -0.0984 -0.0834 0.1551 398 LEU B N 2881 C CA . LEU B 178 ? 0.7619 0.8826 0.8645 -0.1020 -0.0937 0.1559 398 LEU B CA 2882 C C . LEU B 178 ? 0.7437 0.8529 0.8335 -0.1047 -0.0940 0.1710 398 LEU B C 2883 O O . LEU B 178 ? 0.8602 0.9621 0.9426 -0.1067 -0.0788 0.1737 398 LEU B O 2884 C CB . LEU B 178 ? 0.8020 0.9245 0.8904 -0.1055 -0.0855 0.1349 398 LEU B CB 2885 C CG . LEU B 178 ? 0.8619 0.9731 0.9253 -0.1099 -0.0922 0.1307 398 LEU B CG 2886 C CD1 . LEU B 178 ? 0.8806 0.9878 0.9492 -0.1074 -0.1136 0.1356 398 LEU B CD1 2887 C CD2 . LEU B 178 ? 0.7440 0.8603 0.7998 -0.1125 -0.0807 0.1062 398 LEU B CD2 2888 N N . ASP B 179 ? 0.9062 1.0124 0.9921 -0.1046 -0.1120 0.1798 399 ASP B N 2889 C CA . ASP B 179 ? 0.9962 1.0934 1.0678 -0.1030 -0.1187 0.1960 399 ASP B CA 2890 C C . ASP B 179 ? 0.9575 1.0421 0.9877 -0.1069 -0.1259 0.1914 399 ASP B C 2891 O O . ASP B 179 ? 1.1675 1.2528 1.1869 -0.1117 -0.1285 0.1744 399 ASP B O 2892 C CB . ASP B 179 ? 0.9581 1.0677 1.0598 -0.0987 -0.1364 0.2095 399 ASP B CB 2893 C CG . ASP B 179 ? 1.0288 1.1360 1.1385 -0.0905 -0.1349 0.2280 399 ASP B CG 2894 O OD1 . ASP B 179 ? 1.0524 1.1410 1.1299 -0.0874 -0.1309 0.2355 399 ASP B OD1 2895 O OD2 . ASP B 179 ? 0.9612 1.0827 1.1092 -0.0863 -0.1361 0.2355 399 ASP B OD2 2896 N N . SER B 180 ? 0.9141 0.9847 0.9183 -0.1033 -0.1288 0.2067 400 SER B N 2897 C CA . SER B 180 ? 0.9857 1.0390 0.9381 -0.1064 -0.1323 0.2049 400 SER B CA 2898 C C . SER B 180 ? 1.0033 1.0657 0.9460 -0.1094 -0.1579 0.1939 400 SER B C 2899 O O . SER B 180 ? 1.1209 1.1706 1.0192 -0.1145 -0.1572 0.1838 400 SER B O 2900 C CB . SER B 180 ? 1.0347 1.0664 0.9567 -0.0979 -0.1338 0.2292 400 SER B CB 2901 O OG . SER B 180 ? 1.0781 1.1250 1.0359 -0.0864 -0.1542 0.2451 400 SER B OG 2902 N N . ASP B 181 ? 1.0165 1.0991 0.9995 -0.1081 -0.1781 0.1938 401 ASP B N 2903 C CA . ASP B 181 ? 1.0117 1.1010 0.9915 -0.1146 -0.1987 0.1777 401 ASP B CA 2904 C C . ASP B 181 ? 0.9800 1.0712 0.9835 -0.1208 -0.1896 0.1578 401 ASP B C 2905 O O . ASP B 181 ? 0.9987 1.0923 1.0117 -0.1267 -0.2040 0.1441 401 ASP B O 2906 C CB . ASP B 181 ? 1.0431 1.1524 1.0523 -0.1122 -0.2274 0.1860 401 ASP B CB 2907 C CG . ASP B 181 ? 0.9896 1.1160 1.0592 -0.1111 -0.2228 0.1931 401 ASP B CG 2908 O OD1 . ASP B 181 ? 0.9965 1.1172 1.0758 -0.1077 -0.1994 0.1989 401 ASP B OD1 2909 O OD2 . ASP B 181 ? 0.9944 1.1406 1.1011 -0.1150 -0.2416 0.1910 401 ASP B OD2 2910 N N . GLY B 182 ? 0.8658 0.9545 0.8783 -0.1186 -0.1663 0.1553 402 GLY B N 2911 C CA . GLY B 182 ? 0.9000 0.9892 0.9311 -0.1190 -0.1592 0.1389 402 GLY B CA 2912 C C . GLY B 182 ? 0.9590 1.0553 1.0315 -0.1165 -0.1633 0.1468 402 GLY B C 2913 O O . GLY B 182 ? 0.8811 0.9743 0.9661 -0.1129 -0.1565 0.1387 402 GLY B O 2914 N N . SER B 183 ? 0.9670 1.0724 1.0600 -0.1174 -0.1739 0.1626 403 SER B N 2915 C CA . SER B 183 ? 0.9096 1.0220 1.0410 -0.1167 -0.1718 0.1727 403 SER B CA 2916 C C . SER B 183 ? 0.8592 0.9745 0.9957 -0.1094 -0.1525 0.1807 403 SER B C 2917 O O . SER B 183 ? 0.9143 1.0276 1.0305 -0.1067 -0.1423 0.1777 403 SER B O 2918 C CB . SER B 183 ? 0.8978 1.0255 1.0540 -0.1198 -0.1865 0.1840 403 SER B CB 2919 O OG . SER B 183 ? 0.8225 0.9568 0.9739 -0.1121 -0.1831 0.1976 403 SER B OG 2920 N N . PHE B 184 ? 0.8821 1.0006 1.0433 -0.1078 -0.1456 0.1889 404 PHE B N 2921 C CA . PHE B 184 ? 0.7711 0.8932 0.9342 -0.1013 -0.1283 0.1935 404 PHE B CA 2922 C C . PHE B 184 ? 0.7096 0.8411 0.8984 -0.1008 -0.1216 0.2079 404 PHE B C 2923 O O . PHE B 184 ? 0.7654 0.9036 0.9789 -0.1053 -0.1290 0.2148 404 PHE B O 2924 C CB . PHE B 184 ? 0.6274 0.7423 0.7862 -0.0966 -0.1230 0.1880 404 PHE B CB 2925 C CG . PHE B 184 ? 0.6910 0.8016 0.8312 -0.0927 -0.1256 0.1711 404 PHE B CG 2926 C CD1 . PHE B 184 ? 0.6753 0.7739 0.8109 -0.0948 -0.1364 0.1624 404 PHE B CD1 2927 C CD2 . PHE B 184 ? 0.6587 0.7789 0.7905 -0.0873 -0.1161 0.1602 404 PHE B CD2 2928 C CE1 . PHE B 184 ? 0.6586 0.7549 0.7815 -0.0893 -0.1366 0.1441 404 PHE B CE1 2929 C CE2 . PHE B 184 ? 0.6285 0.7511 0.7521 -0.0832 -0.1173 0.1415 404 PHE B CE2 2930 C CZ . PHE B 184 ? 0.6034 0.7140 0.7226 -0.0830 -0.1270 0.1339 404 PHE B CZ 2931 N N . PHE B 185 ? 0.6833 0.8173 0.8702 -0.0959 -0.1061 0.2094 405 PHE B N 2932 C CA . PHE B 185 ? 0.6987 0.8403 0.9098 -0.0944 -0.0949 0.2200 405 PHE B CA 2933 C C . PHE B 185 ? 0.7697 0.9099 0.9703 -0.0902 -0.0769 0.2153 405 PHE B C 2934 O O . PHE B 185 ? 0.7965 0.9345 0.9755 -0.0881 -0.0745 0.2027 405 PHE B O 2935 C CB . PHE B 185 ? 0.6596 0.8079 0.8864 -0.0913 -0.0970 0.2285 405 PHE B CB 2936 C CG . PHE B 185 ? 0.6538 0.7935 0.8638 -0.0870 -0.0846 0.2258 405 PHE B CG 2937 C CD1 . PHE B 185 ? 0.6897 0.8185 0.8711 -0.0887 -0.0879 0.2195 405 PHE B CD1 2938 C CD2 . PHE B 185 ? 0.6876 0.8277 0.9109 -0.0828 -0.0661 0.2278 405 PHE B CD2 2939 C CE1 . PHE B 185 ? 0.7536 0.8705 0.9212 -0.0881 -0.0719 0.2163 405 PHE B CE1 2940 C CE2 . PHE B 185 ? 0.7390 0.8668 0.9490 -0.0813 -0.0522 0.2230 405 PHE B CE2 2941 C CZ . PHE B 185 ? 0.7511 0.8665 0.9341 -0.0848 -0.0545 0.2177 405 PHE B CZ 2942 N N . LEU B 186 ? 0.7182 0.8629 0.9363 -0.0896 -0.0638 0.2227 406 LEU B N 2943 C CA . LEU B 186 ? 0.7148 0.8591 0.9214 -0.0861 -0.0463 0.2171 406 LEU B CA 2944 C C . LEU B 186 ? 0.7399 0.8905 0.9733 -0.0861 -0.0308 0.2258 406 LEU B C 2945 O O . LEU B 186 ? 0.7541 0.9127 1.0189 -0.0886 -0.0351 0.2355 406 LEU B O 2946 C CB . LEU B 186 ? 0.7436 0.8810 0.9227 -0.0837 -0.0470 0.2130 406 LEU B CB 2947 C CG . LEU B 186 ? 0.7534 0.8812 0.9376 -0.0872 -0.0469 0.2263 406 LEU B CG 2948 C CD1 . LEU B 186 ? 0.6981 0.8293 0.8985 -0.0901 -0.0259 0.2348 406 LEU B CD1 2949 C CD2 . LEU B 186 ? 0.7174 0.8285 0.8689 -0.0817 -0.0533 0.2262 406 LEU B CD2 2950 N N . VAL B 187 ? 0.7479 0.8975 0.9707 -0.0835 -0.0127 0.2192 407 VAL B N 2951 C CA . VAL B 187 ? 0.8119 0.9664 1.0559 -0.0829 0.0079 0.2232 407 VAL B CA 2952 C C . VAL B 187 ? 1.0050 1.1530 1.2145 -0.0827 0.0214 0.2169 407 VAL B C 2953 O O . VAL B 187 ? 1.0485 1.1930 1.2242 -0.0801 0.0149 0.2047 407 VAL B O 2954 C CB . VAL B 187 ? 0.9045 1.0593 1.1637 -0.0781 0.0192 0.2171 407 VAL B CB 2955 C CG1 . VAL B 187 ? 0.9850 1.1443 1.2636 -0.0761 0.0447 0.2164 407 VAL B CG1 2956 C CG2 . VAL B 187 ? 0.8846 1.0412 1.1690 -0.0745 0.0049 0.2261 407 VAL B CG2 2957 N N . SER B 188 ? 1.0459 1.1940 1.2633 -0.0853 0.0401 0.2243 408 SER B N 2958 C CA . SER B 188 ? 0.9546 1.0935 1.1325 -0.0843 0.0568 0.2202 408 SER B CA 2959 C C . SER B 188 ? 0.8977 1.0426 1.0931 -0.0843 0.0853 0.2141 408 SER B C 2960 O O . SER B 188 ? 0.9019 1.0567 1.1427 -0.0869 0.0982 0.2218 408 SER B O 2961 C CB . SER B 188 ? 0.9787 1.1037 1.1391 -0.0885 0.0598 0.2355 408 SER B CB 2962 O OG . SER B 188 ? 0.9821 1.0941 1.0942 -0.0859 0.0764 0.2341 408 SER B OG 2963 N N . LYS B 189 ? 0.8404 0.9819 1.0037 -0.0812 0.0949 0.1975 409 LYS B N 2964 C CA . LYS B 189 ? 0.8956 1.0397 1.0721 -0.0810 0.1244 0.1876 409 LYS B CA 2965 C C . LYS B 189 ? 0.9859 1.1208 1.1144 -0.0825 0.1455 0.1844 409 LYS B C 2966 O O . LYS B 189 ? 1.0155 1.1436 1.0880 -0.0798 0.1369 0.1740 409 LYS B O 2967 C CB . LYS B 189 ? 0.8943 1.0387 1.0786 -0.0781 0.1254 0.1677 409 LYS B CB 2968 C CG . LYS B 189 ? 1.0236 1.1639 1.1910 -0.0781 0.1526 0.1471 409 LYS B CG 2969 C CD . LYS B 189 ? 1.0503 1.1856 1.2322 -0.0777 0.1549 0.1271 409 LYS B CD 2970 C CE . LYS B 189 ? 1.0991 1.2318 1.2373 -0.0815 0.1632 0.0981 409 LYS B CE 2971 N NZ . LYS B 189 ? 1.0755 1.2150 1.1869 -0.0842 0.1347 0.0896 409 LYS B NZ 2972 N N . LEU B 190 ? 0.9665 1.1031 1.1184 -0.0865 0.1729 0.1929 410 LEU B N 2973 C CA . LEU B 190 ? 1.0276 1.1530 1.1365 -0.0895 0.2017 0.1916 410 LEU B CA 2974 C C . LEU B 190 ? 1.0795 1.2113 1.2061 -0.0879 0.2304 0.1714 410 LEU B C 2975 O O . LEU B 190 ? 1.0683 1.2142 1.2621 -0.0860 0.2400 0.1702 410 LEU B O 2976 C CB . LEU B 190 ? 1.0459 1.1686 1.1757 -0.0982 0.2202 0.2125 410 LEU B CB 2977 C CG . LEU B 190 ? 1.0736 1.1898 1.1880 -0.1045 0.2648 0.2116 410 LEU B CG 2978 C CD1 . LEU B 190 ? 1.1214 1.2112 1.1392 -0.1022 0.2710 0.2094 410 LEU B CD1 2979 C CD2 . LEU B 190 ? 1.0797 1.1984 1.2354 -0.1167 0.2823 0.2308 410 LEU B CD2 2980 N N . THR B 191 ? 1.1441 1.2651 1.2093 -0.0873 0.2432 0.1550 411 THR B N 2981 C CA . THR B 191 ? 1.1732 1.2959 1.2434 -0.0861 0.2698 0.1295 411 THR B CA 2982 C C . THR B 191 ? 1.2884 1.4025 1.3244 -0.0907 0.3081 0.1297 411 THR B C 2983 O O . THR B 191 ? 1.4766 1.5753 1.4391 -0.0921 0.3063 0.1365 411 THR B O 2984 C CB . THR B 191 ? 1.2526 1.3717 1.2744 -0.0840 0.2527 0.1035 411 THR B CB 2985 O OG1 . THR B 191 ? 1.2772 1.4021 1.3114 -0.0819 0.2146 0.1076 411 THR B OG1 2986 C CG2 . THR B 191 ? 1.2852 1.4041 1.3314 -0.0840 0.2765 0.0742 411 THR B CG2 2987 N N . VAL B 192 ? 1.3227 1.4453 1.4102 -0.0917 0.3437 0.1226 412 VAL B N 2988 C CA . VAL B 192 ? 1.3352 1.4514 1.3988 -0.0979 0.3881 0.1217 412 VAL B CA 2989 C C . VAL B 192 ? 1.4186 1.5358 1.4896 -0.0952 0.4224 0.0903 412 VAL B C 2990 O O . VAL B 192 ? 1.3912 1.5151 1.5099 -0.0881 0.4142 0.0743 412 VAL B O 2991 C CB . VAL B 192 ? 1.3128 1.4430 1.4426 -0.1044 0.4064 0.1440 412 VAL B CB 2992 C CG1 . VAL B 192 ? 1.2695 1.3881 1.3709 -0.1108 0.3833 0.1726 412 VAL B CG1 2993 C CG2 . VAL B 192 ? 1.2030 1.3603 1.4367 -0.0972 0.3966 0.1428 412 VAL B CG2 2994 N N . ASP B 193 ? 1.4885 1.5945 1.5088 -0.1009 0.4621 0.0817 413 ASP B N 2995 C CA . ASP B 193 ? 1.5602 1.6668 1.5918 -0.0996 0.5043 0.0510 413 ASP B CA 2996 C C . ASP B 193 ? 1.5711 1.7006 1.7163 -0.0942 0.5260 0.0504 413 ASP B C 2997 O O . ASP B 193 ? 1.5489 1.6951 1.7474 -0.0977 0.5326 0.0730 413 ASP B O 2998 C CB . ASP B 193 ? 1.7484 1.8395 1.7072 -0.1083 0.5475 0.0483 413 ASP B CB 2999 C CG . ASP B 193 ? 1.8413 1.9109 1.6871 -0.1083 0.5392 0.0286 413 ASP B CG 3000 O OD1 . ASP B 193 ? 1.8998 1.9665 1.7090 -0.1041 0.4918 0.0314 413 ASP B OD1 3001 O OD2 . ASP B 193 ? 1.8497 1.9077 1.6438 -0.1123 0.5800 0.0087 413 ASP B OD2 3002 N N . LYS B 194 ? 1.6431 1.7730 1.8261 -0.0853 0.5377 0.0231 414 LYS B N 3003 C CA . LYS B 194 ? 1.6674 1.8171 1.9610 -0.0734 0.5510 0.0215 414 LYS B CA 3004 C C . LYS B 194 ? 1.6677 1.8399 2.0153 -0.0760 0.5952 0.0259 414 LYS B C 3005 O O . LYS B 194 ? 1.6137 1.8141 2.0492 -0.0708 0.5880 0.0431 414 LYS B O 3006 C CB . LYS B 194 ? 1.7680 1.9028 2.0764 -0.0634 0.5643 -0.0117 414 LYS B CB 3007 C CG . LYS B 194 ? 1.7496 1.8963 2.1661 -0.0452 0.5719 -0.0132 414 LYS B CG 3008 C CD . LYS B 194 ? 1.7620 1.8848 2.1829 -0.0371 0.5989 -0.0497 414 LYS B CD 3009 C CE . LYS B 194 ? 1.7972 1.9198 2.1966 -0.0422 0.6552 -0.0772 414 LYS B CE 3010 N NZ . LYS B 194 ? 1.7883 1.8818 2.1658 -0.0397 0.6805 -0.1187 414 LYS B NZ 3011 N N . SER B 195 ? 1.7310 1.8925 2.0255 -0.0848 0.6411 0.0082 415 SER B N 3012 C CA . SER B 195 ? 1.6852 1.8658 2.0212 -0.0910 0.6930 0.0078 415 SER B CA 3013 C C . SER B 195 ? 1.6682 1.8670 2.0318 -0.1025 0.6834 0.0418 415 SER B C 3014 O O . SER B 195 ? 1.5817 1.8150 2.0423 -0.1021 0.7023 0.0465 415 SER B O 3015 C CB . SER B 195 ? 1.7645 1.9206 2.0040 -0.1022 0.7387 -0.0126 415 SER B CB 3016 O OG . SER B 195 ? 1.8342 2.0069 2.1116 -0.1099 0.7968 -0.0163 415 SER B OG 3017 N N . ARG B 196 ? 1.6906 1.8670 1.9725 -0.1120 0.6520 0.0633 416 ARG B N 3018 C CA . ARG B 196 ? 1.6927 1.8742 1.9815 -0.1255 0.6449 0.0944 416 ARG B CA 3019 C C . ARG B 196 ? 1.5874 1.8058 1.9896 -0.1208 0.6161 0.1088 416 ARG B C 3020 O O . ARG B 196 ? 1.6001 1.8426 2.0638 -0.1319 0.6372 0.1189 416 ARG B O 3021 C CB . ARG B 196 ? 1.7148 1.8602 1.8920 -0.1312 0.6121 0.1131 416 ARG B CB 3022 C CG . ARG B 196 ? 1.8631 1.9743 1.9257 -0.1393 0.6477 0.1068 416 ARG B CG 3023 C CD . ARG B 196 ? 1.8503 1.9263 1.7996 -0.1392 0.6120 0.1240 416 ARG B CD 3024 N NE . ARG B 196 ? 1.8786 1.9457 1.8318 -0.1476 0.5949 0.1592 416 ARG B NE 3025 C CZ . ARG B 196 ? 1.9129 1.9790 1.8701 -0.1416 0.5409 0.1749 416 ARG B CZ 3026 N NH1 . ARG B 196 ? 1.8643 1.9395 1.8223 -0.1280 0.4991 0.1596 416 ARG B NH1 3027 N NH2 . ARG B 196 ? 1.8381 1.8922 1.7988 -0.1505 0.5315 0.2043 416 ARG B NH2 3028 N N . TRP B 197 ? 1.5016 1.7251 1.9312 -0.1053 0.5696 0.1081 417 TRP B N 3029 C CA . TRP B 197 ? 1.4351 1.6912 1.9609 -0.0979 0.5361 0.1215 417 TRP B CA 3030 C C . TRP B 197 ? 1.4402 1.7383 2.0775 -0.0918 0.5688 0.1102 417 TRP B C 3031 O O . TRP B 197 ? 1.3361 1.6693 2.0501 -0.0974 0.5638 0.1216 417 TRP B O 3032 C CB . TRP B 197 ? 1.3943 1.6414 1.9191 -0.0809 0.4880 0.1206 417 TRP B CB 3033 C CG . TRP B 197 ? 1.3025 1.5807 1.9222 -0.0677 0.4548 0.1313 417 TRP B CG 3034 C CD1 . TRP B 197 ? 1.3357 1.6290 2.0278 -0.0463 0.4532 0.1215 417 TRP B CD1 3035 C CD2 . TRP B 197 ? 1.2450 1.5404 1.8931 -0.0733 0.4177 0.1533 417 TRP B CD2 3036 N NE1 . TRP B 197 ? 1.3219 1.6419 2.0803 -0.0369 0.4150 0.1377 417 TRP B NE1 3037 C CE2 . TRP B 197 ? 1.2605 1.5846 1.9953 -0.0544 0.3932 0.1552 417 TRP B CE2 3038 C CE3 . TRP B 197 ? 1.2067 1.4939 1.8145 -0.0915 0.4033 0.1708 417 TRP B CE3 3039 C CZ2 . TRP B 197 ? 1.2046 1.5526 1.9824 -0.0548 0.3535 0.1719 417 TRP B CZ2 3040 C CZ3 . TRP B 197 ? 1.1293 1.4383 1.7856 -0.0930 0.3662 0.1859 417 TRP B CZ3 3041 C CH2 . TRP B 197 ? 1.1441 1.4865 1.8859 -0.0755 0.3419 0.1850 417 TRP B CH2 3042 N N . GLN B 198 ? 1.5326 1.8276 2.1785 -0.0808 0.6031 0.0851 418 GLN B N 3043 C CA . GLN B 198 ? 1.5756 1.9088 2.3253 -0.0712 0.6408 0.0686 418 GLN B CA 3044 C C . GLN B 198 ? 1.5977 1.9548 2.3762 -0.0913 0.6897 0.0682 418 GLN B C 3045 O O . GLN B 198 ? 1.6214 2.0266 2.5125 -0.0860 0.7060 0.0617 418 GLN B O 3046 C CB . GLN B 198 ? 1.5816 1.8976 2.3229 -0.0557 0.6705 0.0392 418 GLN B CB 3047 C CG . GLN B 198 ? 1.5241 1.8600 2.3634 -0.0266 0.6529 0.0324 418 GLN B CG 3048 C CD . GLN B 198 ? 1.5464 1.8419 2.3440 -0.0121 0.6533 0.0125 418 GLN B CD 3049 O OE1 . GLN B 198 ? 1.5991 1.8648 2.3200 -0.0221 0.6848 -0.0084 418 GLN B OE1 3050 N NE2 . GLN B 198 ? 1.4828 1.7747 2.3279 0.0109 0.6184 0.0184 418 GLN B NE2 3051 N N . GLN B 199 ? 1.6807 2.0048 2.3598 -0.1136 0.7144 0.0745 419 GLN B N 3052 C CA . GLN B 199 ? 1.7456 2.0843 2.4435 -0.1374 0.7613 0.0799 419 GLN B CA 3053 C C . GLN B 199 ? 1.7034 2.0558 2.4322 -0.1512 0.7263 0.1069 419 GLN B C 3054 O O . GLN B 199 ? 1.7501 2.0699 2.4028 -0.1718 0.7305 0.1262 419 GLN B O 3055 C CB . GLN B 199 ? 1.7706 2.0633 2.3465 -0.1546 0.8083 0.0771 419 GLN B CB 3056 C CG . GLN B 199 ? 1.7973 2.0960 2.3840 -0.1510 0.8709 0.0455 419 GLN B CG 3057 C CD . GLN B 199 ? 1.9637 2.2286 2.4527 -0.1740 0.9304 0.0459 419 GLN B CD 3058 O OE1 . GLN B 199 ? 2.0537 2.2691 2.4122 -0.1805 0.9182 0.0590 419 GLN B OE1 3059 N NE2 . GLN B 199 ? 1.8970 2.1888 2.4482 -0.1852 0.9960 0.0310 419 GLN B NE2 3060 N N . GLY B 200 ? 1.6077 2.0059 2.4461 -0.1376 0.6900 0.1073 420 GLY B N 3061 C CA . GLY B 200 ? 1.4521 1.8745 2.3427 -0.1471 0.6508 0.1261 420 GLY B CA 3062 C C . GLY B 200 ? 1.3646 1.7476 2.1710 -0.1691 0.6333 0.1509 420 GLY B C 3063 O O . GLY B 200 ? 1.2708 1.6743 2.1276 -0.1856 0.6234 0.1613 420 GLY B O 3064 N N . ASN B 201 ? 1.3510 1.6782 2.0322 -0.1686 0.6280 0.1589 421 ASN B N 3065 C CA . ASN B 201 ? 1.3734 1.6586 1.9704 -0.1859 0.6153 0.1828 421 ASN B CA 3066 C C . ASN B 201 ? 1.3674 1.6631 1.9964 -0.1835 0.5560 0.1969 421 ASN B C 3067 O O . ASN B 201 ? 1.4000 1.7036 2.0381 -0.1629 0.5110 0.1935 421 ASN B O 3068 C CB . ASN B 201 ? 1.3891 1.6201 1.8521 -0.1793 0.6113 0.1859 421 ASN B CB 3069 C CG . ASN B 201 ? 1.4232 1.6231 1.8124 -0.1936 0.6706 0.1850 421 ASN B CG 3070 O OD1 . ASN B 201 ? 1.4699 1.6230 1.7411 -0.1924 0.6683 0.1928 421 ASN B OD1 3071 N ND2 . ASN B 201 ? 1.3895 1.6167 1.8471 -0.2066 0.7241 0.1749 421 ASN B ND2 3072 N N . VAL B 202 ? 1.3576 1.6513 2.0039 -0.2056 0.5588 0.2115 422 VAL B N 3073 C CA . VAL B 202 ? 1.3021 1.5956 1.9591 -0.2062 0.5044 0.2246 422 VAL B CA 3074 C C . VAL B 202 ? 1.3139 1.5495 1.8493 -0.2009 0.4788 0.2406 422 VAL B C 3075 O O . VAL B 202 ? 1.3996 1.5896 1.8510 -0.2121 0.5067 0.2529 422 VAL B O 3076 C CB . VAL B 202 ? 1.3137 1.6219 2.0320 -0.2330 0.5139 0.2315 422 VAL B CB 3077 C CG1 . VAL B 202 ? 1.2822 1.5605 1.9589 -0.2370 0.4672 0.2484 422 VAL B CG1 3078 C CG2 . VAL B 202 ? 1.2077 1.5895 2.0669 -0.2320 0.5098 0.2133 422 VAL B CG2 3079 N N . PHE B 203 ? 1.2234 1.4620 1.7512 -0.1826 0.4263 0.2400 423 PHE B N 3080 C CA . PHE B 203 ? 1.1549 1.3506 1.5862 -0.1748 0.3937 0.2511 423 PHE B CA 3081 C C . PHE B 203 ? 1.1225 1.3196 1.5737 -0.1773 0.3481 0.2615 423 PHE B C 3082 O O . PHE B 203 ? 1.0591 1.2961 1.5940 -0.1755 0.3261 0.2552 423 PHE B O 3083 C CB . PHE B 203 ? 1.1376 1.3352 1.5428 -0.1529 0.3748 0.2375 423 PHE B CB 3084 C CG . PHE B 203 ? 1.1713 1.3553 1.5284 -0.1496 0.4140 0.2252 423 PHE B CG 3085 C CD1 . PHE B 203 ? 1.1553 1.3691 1.5743 -0.1440 0.4428 0.2068 423 PHE B CD1 3086 C CD2 . PHE B 203 ? 1.1826 1.3242 1.4309 -0.1499 0.4198 0.2305 423 PHE B CD2 3087 C CE1 . PHE B 203 ? 1.2504 1.4498 1.6220 -0.1415 0.4800 0.1920 423 PHE B CE1 3088 C CE2 . PHE B 203 ? 1.2325 1.3618 1.4293 -0.1470 0.4536 0.2165 423 PHE B CE2 3089 C CZ . PHE B 203 ? 1.2833 1.4406 1.5411 -0.1442 0.4856 0.1962 423 PHE B CZ 3090 N N . SER B 204 ? 1.1406 1.2942 1.5128 -0.1790 0.3320 0.2761 424 SER B N 3091 C CA . SER B 204 ? 1.1679 1.3156 1.5558 -0.1856 0.2982 0.2856 424 SER B CA 3092 C C . SER B 204 ? 1.1098 1.2313 1.4342 -0.1717 0.2552 0.2908 424 SER B C 3093 O O . SER B 204 ? 1.2294 1.3145 1.4690 -0.1639 0.2563 0.2976 424 SER B O 3094 C CB . SER B 204 ? 1.1511 1.2724 1.5364 -0.2094 0.3279 0.2996 424 SER B CB 3095 O OG . SER B 204 ? 1.1790 1.3302 1.6314 -0.2242 0.3704 0.2918 424 SER B OG 3096 N N . CYS B 205 ? 1.0017 1.1439 1.3692 -0.1687 0.2173 0.2867 425 CYS B N 3097 C CA . CYS B 205 ? 1.0691 1.1926 1.3910 -0.1574 0.1777 0.2889 425 CYS B CA 3098 C C . CYS B 205 ? 1.0295 1.1286 1.3498 -0.1706 0.1677 0.2997 425 CYS B C 3099 O O . CYS B 205 ? 1.0578 1.1765 1.4436 -0.1863 0.1707 0.2975 425 CYS B O 3100 C CB . CYS B 205 ? 1.0987 1.2568 1.4629 -0.1452 0.1465 0.2765 425 CYS B CB 3101 S SG . CYS B 205 ? 1.2455 1.3891 1.5662 -0.1330 0.1018 0.2747 425 CYS B SG 3102 N N . SER B 206 ? 1.0001 1.0570 1.2498 -0.1642 0.1565 0.3098 426 SER B N 3103 C CA . SER B 206 ? 1.1249 1.1489 1.3684 -0.1754 0.1507 0.3204 426 SER B CA 3104 C C . SER B 206 ? 1.1525 1.1655 1.3676 -0.1611 0.1104 0.3171 426 SER B C 3105 O O . SER B 206 ? 1.2691 1.2724 1.4291 -0.1424 0.0976 0.3164 426 SER B O 3106 C CB . SER B 206 ? 1.3030 1.2728 1.4818 -0.1797 0.1811 0.3404 426 SER B CB 3107 O OG . SER B 206 ? 1.4110 1.3849 1.6073 -0.1948 0.2257 0.3442 426 SER B OG 3108 N N . VAL B 207 ? 1.0196 1.0348 1.2721 -0.1705 0.0913 0.3127 427 VAL B N 3109 C CA . VAL B 207 ? 0.9880 1.0001 1.2225 -0.1577 0.0545 0.3051 427 VAL B CA 3110 C C . VAL B 207 ? 1.0804 1.0524 1.3038 -0.1645 0.0474 0.3104 427 VAL B C 3111 O O . VAL B 207 ? 1.1355 1.1023 1.4004 -0.1858 0.0594 0.3108 427 VAL B O 3112 C CB . VAL B 207 ? 0.8725 0.9314 1.1602 -0.1579 0.0306 0.2887 427 VAL B CB 3113 C CG1 . VAL B 207 ? 0.7599 0.8164 1.0216 -0.1444 -0.0013 0.2800 427 VAL B CG1 3114 C CG2 . VAL B 207 ? 0.8336 0.9272 1.1411 -0.1517 0.0409 0.2845 427 VAL B CG2 3115 N N . MET B 208 ? 1.0155 0.9606 1.1893 -0.1470 0.0282 0.3119 428 MET B N 3116 C CA . MET B 208 ? 1.1157 1.0164 1.2780 -0.1508 0.0234 0.3168 428 MET B CA 3117 C C . MET B 208 ? 1.0519 0.9602 1.2153 -0.1399 -0.0102 0.3007 428 MET B C 3118 O O . MET B 208 ? 1.0316 0.9526 1.1664 -0.1197 -0.0265 0.2951 428 MET B O 3119 C CB . MET B 208 ? 1.2354 1.0792 1.3306 -0.1386 0.0387 0.3390 428 MET B CB 3120 C CG . MET B 208 ? 1.1828 1.0118 1.2572 -0.1468 0.0756 0.3566 428 MET B CG 3121 S SD . MET B 208 ? 1.5433 1.2897 1.5330 -0.1333 0.0896 0.3862 428 MET B SD 3122 C CE . MET B 208 ? 1.4159 1.1137 1.4399 -0.1567 0.1007 0.3909 428 MET B CE 3123 N N . HIS B 209 ? 1.0351 0.9361 1.2318 -0.1544 -0.0188 0.2909 429 HIS B N 3124 C CA . HIS B 209 ? 1.0714 0.9849 1.2736 -0.1475 -0.0482 0.2717 429 HIS B CA 3125 C C . HIS B 209 ? 1.0566 0.9425 1.2828 -0.1648 -0.0500 0.2638 429 HIS B C 3126 O O . HIS B 209 ? 1.0604 0.9481 1.3261 -0.1885 -0.0355 0.2644 429 HIS B O 3127 C CB . HIS B 209 ? 1.0433 1.0141 1.2778 -0.1501 -0.0633 0.2570 429 HIS B CB 3128 C CG . HIS B 209 ? 1.0487 1.0315 1.2784 -0.1429 -0.0893 0.2386 429 HIS B CG 3129 N ND1 . HIS B 209 ? 0.9795 0.9604 1.2316 -0.1559 -0.1028 0.2236 429 HIS B ND1 3130 C CD2 . HIS B 209 ? 0.9867 0.9844 1.1917 -0.1259 -0.1017 0.2310 429 HIS B CD2 3131 C CE1 . HIS B 209 ? 0.9804 0.9724 1.2163 -0.1461 -0.1213 0.2089 429 HIS B CE1 3132 N NE2 . HIS B 209 ? 0.8979 0.9002 1.1075 -0.1285 -0.1197 0.2135 429 HIS B NE2 3133 N N . GLU B 210 ? 1.0660 0.9301 1.2738 -0.1542 -0.0671 0.2530 430 GLU B N 3134 C CA . GLU B 210 ? 1.1273 0.9580 1.3534 -0.1694 -0.0689 0.2418 430 GLU B CA 3135 C C . GLU B 210 ? 1.0795 0.9425 1.3605 -0.1971 -0.0756 0.2226 430 GLU B C 3136 O O . GLU B 210 ? 1.1473 0.9841 1.4539 -0.2182 -0.0672 0.2164 430 GLU B O 3137 C CB . GLU B 210 ? 1.1168 0.9270 1.3173 -0.1508 -0.0874 0.2279 430 GLU B CB 3138 C CG . GLU B 210 ? 1.0206 0.8782 1.2208 -0.1413 -0.1100 0.2083 430 GLU B CG 3139 C CD . GLU B 210 ? 1.0672 0.9033 1.2457 -0.1237 -0.1222 0.1933 430 GLU B CD 3140 O OE1 . GLU B 210 ? 0.9695 0.8181 1.1236 -0.1002 -0.1283 0.1940 430 GLU B OE1 3141 O OE2 . GLU B 210 ? 1.1371 0.9451 1.3268 -0.1339 -0.1247 0.1784 430 GLU B OE2 3142 N N . ALA B 211 ? 1.0875 1.0066 1.3863 -0.1963 -0.0920 0.2126 431 ALA B N 3143 C CA . ALA B 211 ? 1.0316 0.9844 1.3746 -0.2162 -0.1082 0.1916 431 ALA B CA 3144 C C . ALA B 211 ? 1.0414 1.0174 1.4382 -0.2385 -0.0933 0.1958 431 ALA B C 3145 O O . ALA B 211 ? 1.0586 1.0594 1.5025 -0.2592 -0.1041 0.1775 431 ALA B O 3146 C CB . ALA B 211 ? 0.9310 0.9275 1.2646 -0.2040 -0.1328 0.1811 431 ALA B CB 3147 N N . LEU B 212 ? 0.9883 0.9566 1.3785 -0.2345 -0.0675 0.2178 432 LEU B N 3148 C CA . LEU B 212 ? 0.9936 0.9783 1.4342 -0.2559 -0.0450 0.2225 432 LEU B CA 3149 C C . LEU B 212 ? 1.1030 1.0453 1.5663 -0.2823 -0.0241 0.2201 432 LEU B C 3150 O O . LEU B 212 ? 1.0928 0.9738 1.5152 -0.2781 -0.0161 0.2272 432 LEU B O 3151 C CB . LEU B 212 ? 0.9770 0.9570 1.3931 -0.2441 -0.0192 0.2459 432 LEU B CB 3152 C CG . LEU B 212 ? 0.9358 0.9559 1.3372 -0.2220 -0.0340 0.2470 432 LEU B CG 3153 C CD1 . LEU B 212 ? 1.0476 1.0503 1.4067 -0.2075 -0.0101 0.2673 432 LEU B CD1 3154 C CD2 . LEU B 212 ? 0.8334 0.9129 1.2997 -0.2320 -0.0419 0.2360 432 LEU B CD2 3155 N N . HIS B 213 ? 1.1711 1.1483 1.7045 -0.3091 -0.0158 0.2086 433 HIS B N 3156 C CA . HIS B 213 ? 1.2573 1.2032 1.8251 -0.3392 0.0191 0.2111 433 HIS B CA 3157 C C . HIS B 213 ? 1.3284 1.2323 1.8508 -0.3306 0.0581 0.2433 433 HIS B C 3158 O O . HIS B 213 ? 1.2426 1.1804 1.7676 -0.3213 0.0693 0.2541 433 HIS B O 3159 C CB . HIS B 213 ? 1.2383 1.2502 1.8994 -0.3660 0.0191 0.1906 433 HIS B CB 3160 C CG . HIS B 213 ? 1.3106 1.3022 2.0182 -0.3997 0.0625 0.1928 433 HIS B CG 3161 N ND1 . HIS B 213 ? 1.3674 1.3153 2.0951 -0.4287 0.0745 0.1800 433 HIS B ND1 3162 C CD2 . HIS B 213 ? 1.3381 1.3479 2.0799 -0.4113 0.0995 0.2039 433 HIS B CD2 3163 C CE1 . HIS B 213 ? 1.3681 1.3060 2.1393 -0.4579 0.1183 0.1848 433 HIS B CE1 3164 N NE2 . HIS B 213 ? 1.3989 1.3752 2.1789 -0.4478 0.1348 0.1992 433 HIS B NE2 3165 N N . ASN B 214 ? 1.3647 1.1912 1.8411 -0.3321 0.0778 0.2581 434 ASN B N 3166 C CA . ASN B 214 ? 1.3795 1.1514 1.7971 -0.3226 0.1131 0.2908 434 ASN B CA 3167 C C . ASN B 214 ? 1.3390 1.1083 1.6837 -0.2837 0.0981 0.3074 434 ASN B C 3168 O O . ASN B 214 ? 1.3185 1.0568 1.6121 -0.2729 0.1228 0.3326 434 ASN B O 3169 C CB . ASN B 214 ? 1.4004 1.1924 1.8592 -0.3463 0.1537 0.2981 434 ASN B CB 3170 C CG . ASN B 214 ? 1.4709 1.2429 1.9897 -0.3871 0.1809 0.2873 434 ASN B CG 3171 O OD1 . ASN B 214 ? 1.4644 1.2778 2.0529 -0.4066 0.1601 0.2573 434 ASN B OD1 3172 N ND2 . ASN B 214 ? 1.5718 1.2787 2.0620 -0.4014 0.2284 0.3111 434 ASN B ND2 3173 N N . HIS B 215 ? 1.2541 1.0564 1.5936 -0.2642 0.0585 0.2917 435 HIS B N 3174 C CA . HIS B 215 ? 1.2485 1.0579 1.5315 -0.2305 0.0418 0.3005 435 HIS B CA 3175 C C . HIS B 215 ? 1.2500 1.0879 1.5230 -0.2241 0.0599 0.3135 435 HIS B C 3176 O O . HIS B 215 ? 1.3275 1.1557 1.5437 -0.1994 0.0573 0.3256 435 HIS B O 3177 C CB . HIS B 215 ? 1.3468 1.0881 1.5616 -0.2093 0.0415 0.3168 435 HIS B CB 3178 C CG . HIS B 215 ? 1.4164 1.1242 1.6386 -0.2125 0.0262 0.3028 435 HIS B CG 3179 N ND1 . HIS B 215 ? 1.4098 1.1540 1.6843 -0.2287 0.0059 0.2741 435 HIS B ND1 3180 C CD2 . HIS B 215 ? 1.5248 1.1648 1.7064 -0.1995 0.0274 0.3125 435 HIS B CD2 3181 C CE1 . HIS B 215 ? 1.5315 1.2315 1.7981 -0.2285 -0.0021 0.2644 435 HIS B CE1 3182 N NE2 . HIS B 215 ? 1.5910 1.2267 1.8043 -0.2101 0.0112 0.2877 435 HIS B NE2 3183 N N . TYR B 216 ? 1.2040 1.0798 1.5357 -0.2462 0.0780 0.3080 436 TYR B N 3184 C CA . TYR B 216 ? 1.1572 1.0594 1.4877 -0.2428 0.1005 0.3172 436 TYR B CA 3185 C C . TYR B 216 ? 1.1297 1.1006 1.5427 -0.2573 0.0979 0.2992 436 TYR B C 3186 O O . TYR B 216 ? 1.1286 1.1218 1.6015 -0.2759 0.0857 0.2822 436 TYR B O 3187 C CB . TYR B 216 ? 1.2115 1.0627 1.5124 -0.2549 0.1454 0.3395 436 TYR B CB 3188 C CG . TYR B 216 ? 1.2137 1.0844 1.5059 -0.2534 0.1759 0.3485 436 TYR B CG 3189 C CD1 . TYR B 216 ? 1.1648 1.0803 1.5309 -0.2757 0.2005 0.3386 436 TYR B CD1 3190 C CD2 . TYR B 216 ? 1.2666 1.1110 1.4777 -0.2297 0.1812 0.3650 436 TYR B CD2 3191 C CE1 . TYR B 216 ? 1.1824 1.1138 1.5410 -0.2739 0.2320 0.3447 436 TYR B CE1 3192 C CE2 . TYR B 216 ? 1.2563 1.1152 1.4538 -0.2290 0.2109 0.3706 436 TYR B CE2 3193 C CZ . TYR B 216 ? 1.2256 1.1257 1.4959 -0.2512 0.2381 0.3606 436 TYR B CZ 3194 O OH . TYR B 216 ? 1.2408 1.1544 1.4969 -0.2492 0.2697 0.3638 436 TYR B OH 3195 N N . THR B 217 ? 1.1385 1.1435 1.5535 -0.2463 0.1069 0.3015 437 THR B N 3196 C CA . THR B 217 ? 1.1188 1.1862 1.6108 -0.2555 0.1114 0.2885 437 THR B CA 3197 C C . THR B 217 ? 1.1318 1.2101 1.5999 -0.2413 0.1342 0.2968 437 THR B C 3198 O O . THR B 217 ? 1.1526 1.2139 1.5566 -0.2194 0.1258 0.3035 437 THR B O 3199 C CB . THR B 217 ? 1.0190 1.1376 1.5576 -0.2493 0.0679 0.2688 437 THR B CB 3200 O OG1 . THR B 217 ? 0.9233 1.0997 1.5204 -0.2458 0.0700 0.2611 437 THR B OG1 3201 C CG2 . THR B 217 ? 0.9350 1.0413 1.4139 -0.2243 0.0352 0.2690 437 THR B CG2 3202 N N . GLN B 218 ? 1.1824 1.2882 1.7039 -0.2556 0.1659 0.2941 438 GLN B N 3203 C CA . GLN B 218 ? 1.1535 1.2788 1.6680 -0.2433 0.1868 0.2957 438 GLN B CA 3204 C C . GLN B 218 ? 1.0816 1.2732 1.6737 -0.2361 0.1644 0.2784 438 GLN B C 3205 O O . GLN B 218 ? 0.9781 1.2014 1.6346 -0.2468 0.1429 0.2664 438 GLN B O 3206 C CB . GLN B 218 ? 1.2829 1.3950 1.8080 -0.2634 0.2410 0.3032 438 GLN B CB 3207 C CG . GLN B 218 ? 1.2904 1.4067 1.7852 -0.2513 0.2709 0.3062 438 GLN B CG 3208 C CD . GLN B 218 ? 1.3410 1.4000 1.7628 -0.2602 0.3148 0.3252 438 GLN B CD 3209 O OE1 . GLN B 218 ? 1.3632 1.4112 1.8127 -0.2854 0.3547 0.3296 438 GLN B OE1 3210 N NE2 . GLN B 218 ? 1.3374 1.3595 1.6639 -0.2395 0.3080 0.3361 438 GLN B NE2 3211 N N . LYS B 219 ? 1.0968 1.3058 1.6776 -0.2165 0.1673 0.2767 439 LYS B N 3212 C CA . LYS B 219 ? 1.0559 1.3219 1.7102 -0.2073 0.1616 0.2641 439 LYS B CA 3213 C C . LYS B 219 ? 1.1575 1.4202 1.7895 -0.1972 0.1975 0.2655 439 LYS B C 3214 O O . LYS B 219 ? 1.2546 1.4758 1.8038 -0.1903 0.2075 0.2740 439 LYS B O 3215 C CB . LYS B 219 ? 0.9906 1.2749 1.6468 -0.1881 0.1134 0.2588 439 LYS B CB 3216 C CG . LYS B 219 ? 1.0471 1.3774 1.7807 -0.1928 0.0823 0.2476 439 LYS B CG 3217 C CD . LYS B 219 ? 1.0833 1.4007 1.8223 -0.2147 0.0688 0.2443 439 LYS B CD 3218 C CE . LYS B 219 ? 1.1200 1.4579 1.8719 -0.2083 0.0188 0.2353 439 LYS B CE 3219 N NZ . LYS B 219 ? 1.0678 1.4667 1.8950 -0.1981 -0.0043 0.2247 439 LYS B NZ 3220 N N . SER B 220 ? 1.2061 1.5134 1.9124 -0.1961 0.2168 0.2552 440 SER B N 3221 C CA . SER B 220 ? 1.1944 1.4990 1.8886 -0.1920 0.2608 0.2531 440 SER B CA 3222 C C . SER B 220 ? 1.1683 1.5224 1.9370 -0.1753 0.2622 0.2394 440 SER B C 3223 O O . SER B 220 ? 1.1970 1.5970 2.0474 -0.1722 0.2384 0.2320 440 SER B O 3224 C CB . SER B 220 ? 1.3070 1.6011 2.0117 -0.2179 0.3098 0.2565 440 SER B CB 3225 O OG . SER B 220 ? 1.4066 1.6641 2.0772 -0.2358 0.3024 0.2682 440 SER B OG 3226 N N . LEU B 221 ? 1.1634 1.5076 1.9038 -0.1632 0.2895 0.2351 441 LEU B N 3227 C CA . LEU B 221 ? 1.0837 1.4663 1.8893 -0.1432 0.2923 0.2223 441 LEU B CA 3228 C C . LEU B 221 ? 1.0441 1.4181 1.8337 -0.1412 0.3438 0.2132 441 LEU B C 3229 O O . LEU B 221 ? 1.0522 1.3844 1.7582 -0.1505 0.3689 0.2179 441 LEU B O 3230 C CB . LEU B 221 ? 1.0008 1.3771 1.7859 -0.1187 0.2478 0.2239 441 LEU B CB 3231 C CG . LEU B 221 ? 1.0157 1.3478 1.7107 -0.1078 0.2488 0.2243 441 LEU B CG 3232 C CD1 . LEU B 221 ? 1.0146 1.3460 1.7117 -0.0854 0.2143 0.2236 441 LEU B CD1 3233 C CD2 . LEU B 221 ? 1.0334 1.3235 1.6392 -0.1209 0.2422 0.2343 441 LEU B CD2 3234 N N . SER B 222 ? 0.9701 1.3834 1.8383 -0.1271 0.3576 0.1995 442 SER B N 3235 C CA . SER B 222 ? 1.0627 1.4756 1.9331 -0.1256 0.4104 0.1862 442 SER B CA 3236 C C . SER B 222 ? 1.0987 1.5515 2.0566 -0.1003 0.4100 0.1717 442 SER B C 3237 O O . SER B 222 ? 1.1361 1.6321 2.1781 -0.0903 0.3792 0.1718 442 SER B O 3238 C CB . SER B 222 ? 1.1300 1.5548 2.0273 -0.1528 0.4583 0.1846 442 SER B CB 3239 O OG . SER B 222 ? 1.1175 1.5790 2.0910 -0.1671 0.4396 0.1878 442 SER B OG 3240 N N . LEU B 223 ? 1.1156 1.5527 2.0519 -0.0887 0.4435 0.1583 443 LEU B N 3241 C CA . LEU B 223 ? 1.1108 1.5761 2.1246 -0.0616 0.4496 0.1435 443 LEU B CA 3242 C C . LEU B 223 ? 1.0268 1.5421 2.1446 -0.0420 0.4083 0.1469 443 LEU B C 3243 O O . LEU B 223 ? 0.9653 1.5359 2.1841 -0.0433 0.4211 0.1382 443 LEU B O 3244 C CB . LEU B 223 ? 1.1826 1.6667 2.2365 -0.0672 0.5132 0.1238 443 LEU B CB 3245 C CG . LEU B 223 ? 1.2007 1.6754 2.2666 -0.0410 0.5325 0.1056 443 LEU B CG 3246 C CD1 . LEU B 223 ? 1.0752 1.4876 2.0235 -0.0395 0.5251 0.1060 443 LEU B CD1 3247 C CD2 . LEU B 223 ? 1.2624 1.7617 2.3786 -0.0461 0.5979 0.0832 443 LEU B CD2 # 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 ASP 1 221 ? ? ? A . n A 1 2 LYS 2 222 ? ? ? A . n A 1 3 THR 3 223 ? ? ? A . n A 1 4 HIS 4 224 ? ? ? A . n A 1 5 THR 5 225 ? ? ? A . n A 1 6 CYS 6 226 ? ? ? A . n A 1 7 PRO 7 227 ? ? ? A . n A 1 8 PRO 8 228 ? ? ? A . n A 1 9 CYS 9 229 ? ? ? A . n A 1 10 PRO 10 230 ? ? ? A . n A 1 11 ALA 11 231 ? ? ? A . n A 1 12 PRO 12 232 ? ? ? A . n A 1 13 GLU 13 233 ? ? ? A . n A 1 14 LEU 14 234 ? ? ? A . n A 1 15 LEU 15 235 ? ? ? A . n A 1 16 GLY 16 236 ? ? ? A . n A 1 17 GLY 17 237 237 GLY GLY A . n A 1 18 PRO 18 238 238 PRO PRO A . n A 1 19 SER 19 239 239 SER SER A . n A 1 20 VAL 20 240 240 VAL VAL A . n A 1 21 PHE 21 241 241 PHE PHE A . n A 1 22 LEU 22 242 242 LEU LEU A . n A 1 23 PHE 23 243 243 PHE PHE A . n A 1 24 PRO 24 244 244 PRO PRO A . n A 1 25 PRO 25 245 245 PRO PRO A . n A 1 26 LYS 26 246 246 LYS LYS A . n A 1 27 PRO 27 247 247 PRO PRO A . n A 1 28 LYS 28 248 248 LYS LYS A . n A 1 29 ASP 29 249 249 ASP ASP A . n A 1 30 THR 30 250 250 THR THR A . n A 1 31 LEU 31 251 251 LEU LEU A . n A 1 32 MET 32 252 252 MET MET A . n A 1 33 ILE 33 253 253 ILE ILE A . n A 1 34 SER 34 254 254 SER SER A . n A 1 35 ARG 35 255 255 ARG ARG A . n A 1 36 THR 36 256 256 THR THR A . n A 1 37 PRO 37 257 257 PRO PRO A . n A 1 38 GLU 38 258 258 GLU GLU A . n A 1 39 VAL 39 259 259 VAL VAL A . n A 1 40 THR 40 260 260 THR THR A . n A 1 41 CYS 41 261 261 CYS CYS A . n A 1 42 VAL 42 262 262 VAL VAL A . n A 1 43 VAL 43 263 263 VAL VAL A . n A 1 44 VAL 44 264 264 VAL VAL A . n A 1 45 ASP 45 265 265 ASP ASP A . n A 1 46 VAL 46 266 266 VAL VAL A . n A 1 47 SER 47 267 267 SER SER A . n A 1 48 HIS 48 268 268 HIS HIS A . n A 1 49 GLU 49 269 269 GLU GLU A . n A 1 50 ASP 50 270 270 ASP ASP A . n A 1 51 PRO 51 271 271 PRO PRO A . n A 1 52 GLU 52 272 272 GLU GLU A . n A 1 53 VAL 53 273 273 VAL VAL A . n A 1 54 LYS 54 274 274 LYS LYS A . n A 1 55 PHE 55 275 275 PHE PHE A . n A 1 56 ASN 56 276 276 ASN ASN A . n A 1 57 TRP 57 277 277 TRP TRP A . n A 1 58 TYR 58 278 278 TYR TYR A . n A 1 59 VAL 59 279 279 VAL VAL A . n A 1 60 ASP 60 280 280 ASP ASP A . n A 1 61 GLY 61 281 281 GLY GLY A . n A 1 62 VAL 62 282 282 VAL VAL A . n A 1 63 GLU 63 283 283 GLU GLU A . n A 1 64 VAL 64 284 284 VAL VAL A . n A 1 65 HIS 65 285 285 HIS HIS A . n A 1 66 ASN 66 286 286 ASN ASN A . n A 1 67 ALA 67 287 287 ALA ALA A . n A 1 68 LYS 68 288 288 LYS LYS A . n A 1 69 THR 69 289 289 THR THR A . n A 1 70 LYS 70 290 290 LYS LYS A . n A 1 71 PRO 71 291 291 PRO PRO A . n A 1 72 ARG 72 292 292 ARG ARG A . n A 1 73 GLU 73 293 293 GLU GLU A . n A 1 74 GLU 74 294 294 GLU GLU A . n A 1 75 GLN 75 295 295 GLN GLN A . n A 1 76 TYR 76 296 296 TYR TYR A . n A 1 77 ASN 77 297 297 ASN ASN A . n A 1 78 SER 78 298 298 SER SER A . n A 1 79 THR 79 299 299 THR THR A . n A 1 80 TYR 80 300 300 TYR TYR A . n A 1 81 ARG 81 301 301 ARG ARG A . n A 1 82 VAL 82 302 302 VAL VAL A . n A 1 83 VAL 83 303 303 VAL VAL A . n A 1 84 SER 84 304 304 SER SER A . n A 1 85 VAL 85 305 305 VAL VAL A . n A 1 86 LEU 86 306 306 LEU LEU A . n A 1 87 THR 87 307 307 THR THR A . n A 1 88 VAL 88 308 308 VAL VAL A . n A 1 89 LEU 89 309 309 LEU LEU A . n A 1 90 HIS 90 310 310 HIS HIS A . n A 1 91 GLN 91 311 311 GLN GLN A . n A 1 92 ASP 92 312 312 ASP ASP A . n A 1 93 TRP 93 313 313 TRP TRP A . n A 1 94 LEU 94 314 314 LEU LEU A . n A 1 95 ASN 95 315 315 ASN ASN A . n A 1 96 GLY 96 316 316 GLY GLY A . n A 1 97 LYS 97 317 317 LYS LYS A . n A 1 98 GLU 98 318 318 GLU GLU A . n A 1 99 TYR 99 319 319 TYR TYR A . n A 1 100 LYS 100 320 320 LYS LYS A . n A 1 101 CYS 101 321 321 CYS CYS A . n A 1 102 LYS 102 322 322 LYS LYS A . n A 1 103 VAL 103 323 323 VAL VAL A . n A 1 104 SER 104 324 324 SER SER A . n A 1 105 ASN 105 325 325 ASN ASN A . n A 1 106 LYS 106 326 326 LYS LYS A . n A 1 107 ALA 107 327 327 ALA ALA A . n A 1 108 LEU 108 328 328 LEU LEU A . n A 1 109 PRO 109 329 329 PRO PRO A . n A 1 110 ALA 110 330 330 ALA ALA A . n A 1 111 PRO 111 331 331 PRO PRO A . n A 1 112 ILE 112 332 332 ILE ILE A . n A 1 113 GLU 113 333 333 GLU GLU A . n A 1 114 LYS 114 334 334 LYS LYS A . n A 1 115 THR 115 335 335 THR THR A . n A 1 116 ILE 116 336 336 ILE ILE A . n A 1 117 SER 117 337 337 SER SER A . n A 1 118 LYS 118 338 338 LYS LYS A . n A 1 119 ALA 119 339 339 ALA ALA A . n A 1 120 LYS 120 340 340 LYS LYS A . n A 1 121 GLY 121 341 341 GLY GLY A . n A 1 122 GLN 122 342 342 GLN GLN A . n A 1 123 PRO 123 343 343 PRO PRO A . n A 1 124 ARG 124 344 344 ARG ARG A . n A 1 125 GLU 125 345 345 GLU GLU A . n A 1 126 PRO 126 346 346 PRO PRO A . n A 1 127 GLN 127 347 347 GLN GLN A . n A 1 128 VAL 128 348 348 VAL VAL A . n A 1 129 TYR 129 349 349 TYR TYR A . n A 1 130 THR 130 350 350 THR THR A . n A 1 131 LEU 131 351 351 LEU LEU A . n A 1 132 PRO 132 352 352 PRO PRO A . n A 1 133 PRO 133 353 353 PRO PRO A . n A 1 134 CYS 134 354 354 CYS CYS A . n A 1 135 ARG 135 355 355 ARG ARG A . n A 1 136 ASP 136 356 356 ASP ASP A . n A 1 137 GLU 137 357 357 GLU GLU A . n A 1 138 LEU 138 358 358 LEU LEU A . n A 1 139 THR 139 359 359 THR THR A . n A 1 140 LYS 140 360 360 LYS LYS A . n A 1 141 ASN 141 361 361 ASN ASN A . n A 1 142 GLN 142 362 362 GLN GLN A . n A 1 143 VAL 143 363 363 VAL VAL A . n A 1 144 SER 144 364 364 SER SER A . n A 1 145 LEU 145 365 365 LEU LEU A . n A 1 146 TRP 146 366 366 TRP TRP A . n A 1 147 CYS 147 367 367 CYS CYS A . n A 1 148 LEU 148 368 368 LEU LEU A . n A 1 149 VAL 149 369 369 VAL VAL A . n A 1 150 LYS 150 370 370 LYS LYS A . n A 1 151 GLY 151 371 371 GLY GLY A . n A 1 152 PHE 152 372 372 PHE PHE A . n A 1 153 TYR 153 373 373 TYR TYR A . n A 1 154 PRO 154 374 374 PRO PRO A . n A 1 155 SER 155 375 375 SER SER A . n A 1 156 ASP 156 376 376 ASP ASP A . n A 1 157 ILE 157 377 377 ILE ILE A . n A 1 158 ALA 158 378 378 ALA ALA A . n A 1 159 VAL 159 379 379 VAL VAL A . n A 1 160 GLU 160 380 380 GLU GLU A . n A 1 161 TRP 161 381 381 TRP TRP A . n A 1 162 GLU 162 382 382 GLU GLU A . n A 1 163 SER 163 383 383 SER SER A . n A 1 164 ASN 164 384 384 ASN ASN A . n A 1 165 GLY 165 385 385 GLY GLY A . n A 1 166 GLN 166 386 386 GLN GLN A . n A 1 167 PRO 167 387 387 PRO PRO A . n A 1 168 GLU 168 388 388 GLU GLU A . n A 1 169 ASN 169 389 389 ASN ASN A . n A 1 170 ASN 170 390 390 ASN ASN A . n A 1 171 TYR 171 391 391 TYR TYR A . n A 1 172 LYS 172 392 392 LYS LYS A . n A 1 173 THR 173 393 393 THR THR A . n A 1 174 THR 174 394 394 THR THR A . n A 1 175 PRO 175 395 395 PRO PRO A . n A 1 176 PRO 176 396 396 PRO PRO A . n A 1 177 VAL 177 397 397 VAL VAL A . n A 1 178 LEU 178 398 398 LEU LEU A . n A 1 179 ASP 179 399 399 ASP ASP A . n A 1 180 SER 180 400 400 SER SER A . n A 1 181 ASP 181 401 401 ASP ASP A . n A 1 182 GLY 182 402 402 GLY GLY A . n A 1 183 SER 183 403 403 SER SER A . n A 1 184 PHE 184 404 404 PHE PHE A . n A 1 185 PHE 185 405 405 PHE PHE A . n A 1 186 LEU 186 406 406 LEU LEU A . n A 1 187 TYR 187 407 407 TYR TYR A . n A 1 188 SER 188 408 408 SER SER A . n A 1 189 LYS 189 409 409 LYS LYS A . n A 1 190 LEU 190 410 410 LEU LEU A . n A 1 191 THR 191 411 411 THR THR A . n A 1 192 VAL 192 412 412 VAL VAL A . n A 1 193 ASP 193 413 413 ASP ASP A . n A 1 194 LYS 194 414 414 LYS LYS A . n A 1 195 SER 195 415 415 SER SER A . n A 1 196 ARG 196 416 416 ARG ARG A . n A 1 197 TRP 197 417 417 TRP TRP A . n A 1 198 GLN 198 418 418 GLN GLN A . n A 1 199 GLN 199 419 419 GLN GLN A . n A 1 200 GLY 200 420 420 GLY GLY A . n A 1 201 ASN 201 421 421 ASN ASN A . n A 1 202 VAL 202 422 422 VAL VAL A . n A 1 203 PHE 203 423 423 PHE PHE A . n A 1 204 SER 204 424 424 SER SER A . n A 1 205 CYS 205 425 425 CYS CYS A . n A 1 206 SER 206 426 426 SER SER A . n A 1 207 VAL 207 427 427 VAL VAL A . n A 1 208 MET 208 428 428 MET MET A . n A 1 209 HIS 209 429 429 HIS HIS A . n A 1 210 GLU 210 430 430 GLU GLU A . n A 1 211 ALA 211 431 431 ALA ALA A . n A 1 212 LEU 212 432 432 LEU LEU A . n A 1 213 HIS 213 433 433 HIS HIS A . n A 1 214 ASN 214 434 434 ASN ASN A . n A 1 215 HIS 215 435 435 HIS HIS A . n A 1 216 TYR 216 436 436 TYR TYR A . n A 1 217 THR 217 437 437 THR THR A . n A 1 218 GLN 218 438 438 GLN GLN A . n A 1 219 LYS 219 439 439 LYS LYS A . n A 1 220 SER 220 440 440 SER SER A . n A 1 221 LEU 221 441 441 LEU LEU A . n A 1 222 SER 222 442 442 SER SER A . n A 1 223 LEU 223 443 443 LEU LEU A . n A 1 224 SER 224 444 ? ? ? A . n A 1 225 PRO 225 445 ? ? ? A . n A 1 226 GLY 226 446 ? ? ? A . n A 1 227 LYS 227 447 ? ? ? A . n B 2 1 ASP 1 221 ? ? ? B . n B 2 2 LYS 2 222 ? ? ? B . n B 2 3 THR 3 223 ? ? ? B . n B 2 4 HIS 4 224 ? ? ? B . n B 2 5 THR 5 225 ? ? ? B . n B 2 6 CYS 6 226 ? ? ? B . n B 2 7 PRO 7 227 ? ? ? B . n B 2 8 PRO 8 228 ? ? ? B . n B 2 9 CYS 9 229 ? ? ? B . n B 2 10 PRO 10 230 ? ? ? B . n B 2 11 ALA 11 231 ? ? ? B . n B 2 12 PRO 12 232 ? ? ? B . n B 2 13 GLU 13 233 ? ? ? B . n B 2 14 LEU 14 234 ? ? ? B . n B 2 15 LEU 15 235 ? ? ? B . n B 2 16 GLY 16 236 ? ? ? B . n B 2 17 GLY 17 237 ? ? ? B . n B 2 18 PRO 18 238 ? ? ? B . n B 2 19 SER 19 239 239 SER SER B . n B 2 20 VAL 20 240 240 VAL VAL B . n B 2 21 PHE 21 241 241 PHE PHE B . n B 2 22 LEU 22 242 242 LEU LEU B . n B 2 23 PHE 23 243 243 PHE PHE B . n B 2 24 PRO 24 244 244 PRO PRO B . n B 2 25 PRO 25 245 245 PRO PRO B . n B 2 26 LYS 26 246 246 LYS LYS B . n B 2 27 PRO 27 247 247 PRO PRO B . n B 2 28 LYS 28 248 248 LYS LYS B . n B 2 29 ASP 29 249 249 ASP ASP B . n B 2 30 THR 30 250 250 THR THR B . n B 2 31 LEU 31 251 251 LEU LEU B . n B 2 32 MET 32 252 252 MET MET B . n B 2 33 ILE 33 253 253 ILE ILE B . n B 2 34 SER 34 254 254 SER SER B . n B 2 35 ARG 35 255 255 ARG ARG B . n B 2 36 THR 36 256 256 THR THR B . n B 2 37 PRO 37 257 257 PRO PRO B . n B 2 38 GLU 38 258 258 GLU GLU B . n B 2 39 VAL 39 259 259 VAL VAL B . n B 2 40 THR 40 260 260 THR THR B . n B 2 41 CYS 41 261 261 CYS CYS B . n B 2 42 VAL 42 262 262 VAL VAL B . n B 2 43 VAL 43 263 263 VAL VAL B . n B 2 44 VAL 44 264 264 VAL VAL B . n B 2 45 ASP 45 265 265 ASP ASP B . n B 2 46 VAL 46 266 266 VAL VAL B . n B 2 47 SER 47 267 267 SER SER B . n B 2 48 HIS 48 268 268 HIS HIS B . n B 2 49 GLU 49 269 269 GLU GLU B . n B 2 50 ASP 50 270 270 ASP ASP B . n B 2 51 PRO 51 271 271 PRO PRO B . n B 2 52 GLU 52 272 272 GLU GLU B . n B 2 53 VAL 53 273 273 VAL VAL B . n B 2 54 LYS 54 274 274 LYS LYS B . n B 2 55 PHE 55 275 275 PHE PHE B . n B 2 56 ASN 56 276 276 ASN ASN B . n B 2 57 TRP 57 277 277 TRP TRP B . n B 2 58 TYR 58 278 278 TYR TYR B . n B 2 59 VAL 59 279 279 VAL VAL B . n B 2 60 ASP 60 280 280 ASP ASP B . n B 2 61 GLY 61 281 281 GLY GLY B . n B 2 62 VAL 62 282 282 VAL VAL B . n B 2 63 GLU 63 283 283 GLU GLU B . n B 2 64 VAL 64 284 284 VAL VAL B . n B 2 65 HIS 65 285 285 HIS HIS B . n B 2 66 ASN 66 286 286 ASN ASN B . n B 2 67 ALA 67 287 287 ALA ALA B . n B 2 68 LYS 68 288 288 LYS LYS B . n B 2 69 THR 69 289 289 THR THR B . n B 2 70 LYS 70 290 290 LYS LYS B . n B 2 71 PRO 71 291 291 PRO PRO B . n B 2 72 ARG 72 292 ? ? ? B . n B 2 73 GLU 73 293 ? ? ? B . n B 2 74 GLU 74 294 ? ? ? B . n B 2 75 GLN 75 295 ? ? ? B . n B 2 76 TYR 76 296 ? ? ? B . n B 2 77 ASN 77 297 297 ASN ASN B . n B 2 78 SER 78 298 298 SER SER B . n B 2 79 THR 79 299 299 THR THR B . n B 2 80 TYR 80 300 300 TYR TYR B . n B 2 81 ARG 81 301 301 ARG ARG B . n B 2 82 VAL 82 302 302 VAL VAL B . n B 2 83 VAL 83 303 303 VAL VAL B . n B 2 84 SER 84 304 304 SER SER B . n B 2 85 VAL 85 305 305 VAL VAL B . n B 2 86 LEU 86 306 306 LEU LEU B . n B 2 87 THR 87 307 307 THR THR B . n B 2 88 VAL 88 308 308 VAL VAL B . n B 2 89 LEU 89 309 309 LEU LEU B . n B 2 90 HIS 90 310 310 HIS HIS B . n B 2 91 GLN 91 311 311 GLN GLN B . n B 2 92 ASP 92 312 312 ASP ASP B . n B 2 93 TRP 93 313 313 TRP TRP B . n B 2 94 LEU 94 314 314 LEU LEU B . n B 2 95 ASN 95 315 315 ASN ASN B . n B 2 96 GLY 96 316 316 GLY GLY B . n B 2 97 LYS 97 317 317 LYS LYS B . n B 2 98 GLU 98 318 318 GLU GLU B . n B 2 99 TYR 99 319 319 TYR TYR B . n B 2 100 LYS 100 320 320 LYS LYS B . n B 2 101 CYS 101 321 321 CYS CYS B . n B 2 102 LYS 102 322 322 LYS LYS B . n B 2 103 VAL 103 323 323 VAL VAL B . n B 2 104 SER 104 324 324 SER SER B . n B 2 105 ASN 105 325 325 ASN ASN B . n B 2 106 LYS 106 326 326 LYS LYS B . n B 2 107 ALA 107 327 327 ALA ALA B . n B 2 108 LEU 108 328 328 LEU LEU B . n B 2 109 PRO 109 329 329 PRO PRO B . n B 2 110 ALA 110 330 330 ALA ALA B . n B 2 111 PRO 111 331 331 PRO PRO B . n B 2 112 ILE 112 332 332 ILE ILE B . n B 2 113 GLU 113 333 333 GLU GLU B . n B 2 114 LYS 114 334 334 LYS LYS B . n B 2 115 THR 115 335 335 THR THR B . n B 2 116 ILE 116 336 336 ILE ILE B . n B 2 117 SER 117 337 337 SER SER B . n B 2 118 LYS 118 338 338 LYS LYS B . n B 2 119 ALA 119 339 339 ALA ALA B . n B 2 120 LYS 120 340 340 LYS LYS B . n B 2 121 GLY 121 341 341 GLY GLY B . n B 2 122 GLN 122 342 342 GLN GLN B . n B 2 123 PRO 123 343 343 PRO PRO B . n B 2 124 ARG 124 344 344 ARG ARG B . n B 2 125 GLU 125 345 345 GLU GLU B . n B 2 126 PRO 126 346 346 PRO PRO B . n B 2 127 GLN 127 347 347 GLN GLN B . n B 2 128 VAL 128 348 348 VAL VAL B . n B 2 129 CYS 129 349 349 CYS CYS B . n B 2 130 THR 130 350 350 THR THR B . n B 2 131 LEU 131 351 351 LEU LEU B . n B 2 132 PRO 132 352 352 PRO PRO B . n B 2 133 PRO 133 353 353 PRO PRO B . n B 2 134 SER 134 354 354 SER SER B . n B 2 135 ARG 135 355 355 ARG ARG B . n B 2 136 ASP 136 356 356 ASP ASP B . n B 2 137 GLU 137 357 357 GLU GLU B . n B 2 138 LEU 138 358 358 LEU LEU B . n B 2 139 THR 139 359 359 THR THR B . n B 2 140 LYS 140 360 360 LYS LYS B . n B 2 141 ASN 141 361 361 ASN ASN B . n B 2 142 GLN 142 362 362 GLN GLN B . n B 2 143 VAL 143 363 363 VAL VAL B . n B 2 144 SER 144 364 364 SER SER B . n B 2 145 LEU 145 365 365 LEU LEU B . n B 2 146 SER 146 366 366 SER SER B . n B 2 147 CYS 147 367 367 CYS CYS B . n B 2 148 ALA 148 368 368 ALA ALA B . n B 2 149 VAL 149 369 369 VAL VAL B . n B 2 150 LYS 150 370 370 LYS LYS B . n B 2 151 GLY 151 371 371 GLY GLY B . n B 2 152 PHE 152 372 372 PHE PHE B . n B 2 153 TYR 153 373 373 TYR TYR B . n B 2 154 PRO 154 374 374 PRO PRO B . n B 2 155 SER 155 375 375 SER SER B . n B 2 156 ASP 156 376 376 ASP ASP B . n B 2 157 ILE 157 377 377 ILE ILE B . n B 2 158 ALA 158 378 378 ALA ALA B . n B 2 159 VAL 159 379 379 VAL VAL B . n B 2 160 GLU 160 380 380 GLU GLU B . n B 2 161 TRP 161 381 381 TRP TRP B . n B 2 162 GLU 162 382 382 GLU GLU B . n B 2 163 SER 163 383 383 SER SER B . n B 2 164 ASN 164 384 384 ASN ASN B . n B 2 165 GLY 165 385 385 GLY GLY B . n B 2 166 GLN 166 386 386 GLN GLN B . n B 2 167 PRO 167 387 387 PRO PRO B . n B 2 168 GLU 168 388 388 GLU GLU B . n B 2 169 ASN 169 389 389 ASN ASN B . n B 2 170 ASN 170 390 390 ASN ASN B . n B 2 171 TYR 171 391 391 TYR TYR B . n B 2 172 LYS 172 392 392 LYS LYS B . n B 2 173 THR 173 393 393 THR THR B . n B 2 174 THR 174 394 394 THR THR B . n B 2 175 PRO 175 395 395 PRO PRO B . n B 2 176 PRO 176 396 396 PRO PRO B . n B 2 177 VAL 177 397 397 VAL VAL B . n B 2 178 LEU 178 398 398 LEU LEU B . n B 2 179 ASP 179 399 399 ASP ASP B . n B 2 180 SER 180 400 400 SER SER B . n B 2 181 ASP 181 401 401 ASP ASP B . n B 2 182 GLY 182 402 402 GLY GLY B . n B 2 183 SER 183 403 403 SER SER B . n B 2 184 PHE 184 404 404 PHE PHE B . n B 2 185 PHE 185 405 405 PHE PHE B . n B 2 186 LEU 186 406 406 LEU LEU B . n B 2 187 VAL 187 407 407 VAL VAL B . n B 2 188 SER 188 408 408 SER SER B . n B 2 189 LYS 189 409 409 LYS LYS B . n B 2 190 LEU 190 410 410 LEU LEU B . n B 2 191 THR 191 411 411 THR THR B . n B 2 192 VAL 192 412 412 VAL VAL B . n B 2 193 ASP 193 413 413 ASP ASP B . n B 2 194 LYS 194 414 414 LYS LYS B . n B 2 195 SER 195 415 415 SER SER B . n B 2 196 ARG 196 416 416 ARG ARG B . n B 2 197 TRP 197 417 417 TRP TRP B . n B 2 198 GLN 198 418 418 GLN GLN B . n B 2 199 GLN 199 419 419 GLN GLN B . n B 2 200 GLY 200 420 420 GLY GLY B . n B 2 201 ASN 201 421 421 ASN ASN B . n B 2 202 VAL 202 422 422 VAL VAL B . n B 2 203 PHE 203 423 423 PHE PHE B . n B 2 204 SER 204 424 424 SER SER B . n B 2 205 CYS 205 425 425 CYS CYS B . n B 2 206 SER 206 426 426 SER SER B . n B 2 207 VAL 207 427 427 VAL VAL B . n B 2 208 MET 208 428 428 MET MET B . n B 2 209 HIS 209 429 429 HIS HIS B . n B 2 210 GLU 210 430 430 GLU GLU B . n B 2 211 ALA 211 431 431 ALA ALA B . n B 2 212 LEU 212 432 432 LEU LEU B . n B 2 213 HIS 213 433 433 HIS HIS B . n B 2 214 ASN 214 434 434 ASN ASN B . n B 2 215 HIS 215 435 435 HIS HIS B . n B 2 216 TYR 216 436 436 TYR TYR B . n B 2 217 THR 217 437 437 THR THR B . n B 2 218 GLN 218 438 438 GLN GLN B . n B 2 219 LYS 219 439 439 LYS LYS B . n B 2 220 SER 220 440 440 SER SER B . n B 2 221 LEU 221 441 441 LEU LEU B . n B 2 222 SER 222 442 442 SER SER B . n B 2 223 LEU 223 443 443 LEU LEU B . n B 2 224 SER 224 444 ? ? ? B . n B 2 225 PRO 225 445 ? ? ? B . n B 2 226 GLY 226 446 ? ? ? B . n B 2 227 LYS 227 447 ? ? ? 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 3 NAG 1 501 1 NAG NAG A . D 3 NAG 2 502 2 NAG NAG A . E 4 BMA 3 503 3 BMA BMA A . F 4 BMA 4 504 4 BMA MAN A . G 3 NAG 5 505 5 NAG NAG A . H 4 BMA 6 506 6 BMA MAN A . I 5 GAL 7 507 7 GAL GAL A . J 6 FUC 8 508 8 FUC FUL A . K 3 NAG 9 509 9 NAG NAG A . L 3 NAG 1 501 1 NAG NAG B . M 3 NAG 2 502 2 NAG NAG B . N 4 BMA 3 503 3 BMA BMA B . O 4 BMA 4 504 6 BMA MAN B . P 6 FUC 5 505 8 FUC FUL B . Q 3 NAG 6 506 9 NAG NAG B . R 7 HOH 1 601 10 HOH HOH A . R 7 HOH 2 602 2 HOH HOH A . R 7 HOH 3 603 12 HOH HOH A . R 7 HOH 4 604 33 HOH HOH A . R 7 HOH 5 605 6 HOH HOH A . R 7 HOH 6 606 4 HOH HOH A . R 7 HOH 7 607 20 HOH HOH A . R 7 HOH 8 608 29 HOH HOH A . R 7 HOH 9 609 27 HOH HOH A . R 7 HOH 10 610 28 HOH HOH A . R 7 HOH 11 611 36 HOH HOH A . R 7 HOH 12 612 11 HOH HOH A . R 7 HOH 13 613 18 HOH HOH A . R 7 HOH 14 614 7 HOH HOH A . R 7 HOH 15 615 3 HOH HOH A . R 7 HOH 16 616 5 HOH HOH A . R 7 HOH 17 617 9 HOH HOH A . R 7 HOH 18 618 17 HOH HOH A . R 7 HOH 19 619 14 HOH HOH A . R 7 HOH 20 620 8 HOH HOH A . R 7 HOH 21 621 34 HOH HOH A . R 7 HOH 22 622 32 HOH HOH A . R 7 HOH 23 623 1 HOH HOH A . R 7 HOH 24 624 37 HOH HOH A . R 7 HOH 25 625 24 HOH HOH A . R 7 HOH 26 626 31 HOH HOH A . R 7 HOH 27 627 26 HOH HOH A . R 7 HOH 28 628 25 HOH HOH A . R 7 HOH 29 629 23 HOH HOH A . R 7 HOH 30 630 19 HOH HOH A . R 7 HOH 31 631 16 HOH HOH A . R 7 HOH 32 632 13 HOH HOH A . R 7 HOH 33 633 30 HOH HOH A . R 7 HOH 34 634 15 HOH HOH A . S 7 HOH 1 601 22 HOH HOH B . S 7 HOH 2 602 38 HOH HOH B . S 7 HOH 3 603 39 HOH HOH B . S 7 HOH 4 604 35 HOH HOH B . S 7 HOH 5 605 21 HOH HOH 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 C NAG ? A NAG 501 ? NAG -D 2 D NAG ? A NAG 502 ? NAG -D 3 G NAG ? A NAG 505 ? NAG -D 4 I GAL ? A GAL 507 ? GAL -D 5 K NAG ? A NAG 509 ? NAG -D 6 L NAG ? B NAG 501 ? NAG -D 7 M NAG ? B NAG 502 ? NAG -D 8 Q NAG ? B NAG 506 ? NAG -D # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 6710 ? 1 MORE 44 ? 1 'SSA (A^2)' 22350 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 A HOH 626 ? R HOH . 2 1 B HOH 605 ? S HOH . # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2017-02-01 2 'Structure model' 1 1 2017-12-06 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' citation 2 2 'Structure model' citation_author # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_citation.country' 2 2 'Structure model' '_citation.journal_abbrev' 3 2 'Structure model' '_citation.journal_id_CSD' 4 2 'Structure model' '_citation.journal_id_ISSN' 5 2 'Structure model' '_citation.journal_volume' 6 2 'Structure model' '_citation.page_first' 7 2 'Structure model' '_citation.page_last' 8 2 'Structure model' '_citation.pdbx_database_id_DOI' 9 2 'Structure model' '_citation.pdbx_database_id_PubMed' 10 2 'Structure model' '_citation.title' 11 2 'Structure model' '_citation.year' 12 2 'Structure model' '_citation_author.name' # 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 29.0376 15.9504 -4.1216 0.3184 0.2700 0.0611 -0.0180 0.0641 0.0434 2.1480 2.4716 1.2836 -1.1410 -0.4814 0.6878 0.1576 0.0577 0.2390 -0.2804 -0.0128 -0.3480 -0.1687 -0.1249 -0.1448 'X-RAY DIFFRACTION' 2 ? refined 62.2948 13.0712 -1.9900 0.2302 0.3096 0.3631 0.0112 0.0059 0.2232 3.5487 4.3551 4.2069 -0.1995 1.3692 1.2142 -0.0733 0.1136 -0.0185 0.2079 -0.1957 -0.9867 0.3182 0.4950 0.2690 'X-RAY DIFFRACTION' 3 ? refined 41.1958 46.8048 -8.2211 0.5178 0.5881 0.5655 -0.1162 0.0107 0.3453 12.6226 3.1609 1.3145 0.1558 1.5830 0.7131 0.1339 -0.0400 0.1234 -0.0739 -0.0503 0.8347 0.1570 -0.5785 -0.0836 'X-RAY DIFFRACTION' 4 ? refined 67.1580 27.4524 -10.0306 0.1820 0.3437 0.4949 -0.1124 0.0897 0.2586 3.9087 5.0759 3.8399 -0.2302 -1.2449 1.7481 -0.0864 0.4114 0.0310 -0.7147 -0.0269 -1.1827 -0.3223 0.4018 0.1133 # 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 237 ? ? A 341 ? ? ? ? 'X-RAY DIFFRACTION' 2 2 A 342 ? ? A 443 ? ? ? ? 'X-RAY DIFFRACTION' 3 3 B 239 ? ? B 341 ? ? ? ? 'X-RAY DIFFRACTION' 4 4 B 342 ? ? B 443 ? ? ? ? # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.7.0029 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALA ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 4 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 NE A ARG 301 ? ? CZ A ARG 301 ? ? NH1 A ARG 301 ? ? 124.62 120.30 4.32 0.50 N 2 1 CB A ASP 312 ? ? CG A ASP 312 ? ? OD2 A ASP 312 ? ? 124.81 118.30 6.51 0.90 N 3 1 C B PRO 244 ? ? N B PRO 245 ? ? CA B PRO 245 ? ? 128.46 119.30 9.16 1.50 Y # 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 ASN A 286 ? ? -140.85 43.47 2 1 ASN A 325 ? ? -173.42 138.49 3 1 LEU A 358 ? ? -57.53 -5.41 4 1 THR A 359 ? ? -96.38 -65.02 5 1 ASN A 361 ? ? -75.11 22.09 6 1 ASN A 384 ? ? 19.17 78.29 7 1 ASN A 389 ? ? -127.07 -69.51 8 1 SER A 442 ? ? -155.40 -143.75 9 1 PRO B 247 ? ? -17.70 -56.31 10 1 ILE B 253 ? ? -46.68 -15.88 11 1 VAL B 259 ? ? -57.06 -153.93 12 1 THR B 260 ? ? 178.43 120.72 13 1 ASN B 286 ? ? -163.19 10.44 14 1 THR B 289 ? ? -150.28 70.16 15 1 LYS B 290 ? ? -9.94 142.25 16 1 VAL B 303 ? ? -82.96 -151.88 17 1 SER B 304 ? ? 150.32 125.07 18 1 LYS B 360 ? ? -77.61 -166.93 19 1 PRO B 374 ? ? -68.31 -177.62 20 1 HIS B 435 ? ? 49.87 24.25 # 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 ASP 221 ? A ASP 1 2 1 Y 1 A LYS 222 ? A LYS 2 3 1 Y 1 A THR 223 ? A THR 3 4 1 Y 1 A HIS 224 ? A HIS 4 5 1 Y 1 A THR 225 ? A THR 5 6 1 Y 1 A CYS 226 ? A CYS 6 7 1 Y 1 A PRO 227 ? A PRO 7 8 1 Y 1 A PRO 228 ? A PRO 8 9 1 Y 1 A CYS 229 ? A CYS 9 10 1 Y 1 A PRO 230 ? A PRO 10 11 1 Y 1 A ALA 231 ? A ALA 11 12 1 Y 1 A PRO 232 ? A PRO 12 13 1 Y 1 A GLU 233 ? A GLU 13 14 1 Y 1 A LEU 234 ? A LEU 14 15 1 Y 1 A LEU 235 ? A LEU 15 16 1 Y 1 A GLY 236 ? A GLY 16 17 1 Y 1 A SER 444 ? A SER 224 18 1 Y 1 A PRO 445 ? A PRO 225 19 1 Y 1 A GLY 446 ? A GLY 226 20 1 Y 1 A LYS 447 ? A LYS 227 21 1 Y 1 B ASP 221 ? B ASP 1 22 1 Y 1 B LYS 222 ? B LYS 2 23 1 Y 1 B THR 223 ? B THR 3 24 1 Y 1 B HIS 224 ? B HIS 4 25 1 Y 1 B THR 225 ? B THR 5 26 1 Y 1 B CYS 226 ? B CYS 6 27 1 Y 1 B PRO 227 ? B PRO 7 28 1 Y 1 B PRO 228 ? B PRO 8 29 1 Y 1 B CYS 229 ? B CYS 9 30 1 Y 1 B PRO 230 ? B PRO 10 31 1 Y 1 B ALA 231 ? B ALA 11 32 1 Y 1 B PRO 232 ? B PRO 12 33 1 Y 1 B GLU 233 ? B GLU 13 34 1 Y 1 B LEU 234 ? B LEU 14 35 1 Y 1 B LEU 235 ? B LEU 15 36 1 Y 1 B GLY 236 ? B GLY 16 37 1 Y 1 B GLY 237 ? B GLY 17 38 1 Y 1 B PRO 238 ? B PRO 18 39 1 Y 1 B ARG 292 ? B ARG 72 40 1 Y 1 B GLU 293 ? B GLU 73 41 1 Y 1 B GLU 294 ? B GLU 74 42 1 Y 1 B GLN 295 ? B GLN 75 43 1 Y 1 B TYR 296 ? B TYR 76 44 1 Y 1 B SER 444 ? B SER 224 45 1 Y 1 B PRO 445 ? B PRO 225 46 1 Y 1 B GLY 446 ? B GLY 226 47 1 Y 1 B LYS 447 ? B LYS 227 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 N-ACETYL-D-GLUCOSAMINE NAG 4 BETA-D-MANNOSE BMA 5 BETA-D-GALACTOSE GAL 6 ALPHA-L-FUCOSE FUC 7 water HOH #