data_5KS9 # _entry.id 5KS9 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.284 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5KS9 WWPDB D_1000222675 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5KS9 _pdbx_database_status.recvd_initial_deposition_date 2016-07-08 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _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 'Petersen, J.' 1 'Rossjohn, J.' 2 'Reid, H.H.' 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 Structure _citation.journal_id_ASTM STRUE6 _citation.journal_id_CSD 2005 _citation.journal_id_ISSN 0969-2126 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 24 _citation.language ? _citation.page_first 1643 _citation.page_last 1657 _citation.title 'Diverse T Cell Receptor Gene Usage in HLA-DQ8-Associated Celiac Disease Converges into a Consensus Binding Solution.' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1016/j.str.2016.07.010 _citation.pdbx_database_id_PubMed 27568928 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Petersen, J.' 1 primary 'Kooy-Winkelaar, Y.' 2 primary 'Loh, K.L.' 3 primary 'Tran, M.' 4 primary 'van Bergen, J.' 5 primary 'Koning, F.' 6 primary 'Rossjohn, J.' 7 primary 'Reid, H.H.' 8 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 92.77 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5KS9 _cell.details ? _cell.formula_units_Z ? _cell.length_a 74.560 _cell.length_a_esd ? _cell.length_b 56.870 _cell.length_b_esd ? _cell.length_c 232.050 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 4 _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 5KS9 _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 1 21 1' _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 'HLA class II histocompatibility antigen, DQ alpha 1 chain' 21882.221 2 ? ? ? ? 2 polymer man 'HLA class II histocompatibility antigen, DQ beta 1 chain' 26198.922 2 ? ? ? ? 3 polymer man 'Bel502 TCR alpha TRAV20*01' 22984.539 2 ? ? ? ? 4 polymer man 'Bel502 TCR beta TRBV9*01' 27233.248 2 ? ? ? ? 5 polymer man 'DQ8-glia-alpha1 peptide' 1659.665 2 ? ? ? ? 6 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 7 non-polymer syn 'CALCIUM ION' 40.078 4 ? ? ? ? 8 water nat water 18.015 692 ? ? ? ? # _entity_name_com.entity_id 2 _entity_name_com.name 'MHC class II antigen DQB1' # 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 ;EDIVADHVASYGVNLYQSYGPSGQYSHEFDGDEEFYVDLERKETVWQLPLFRRFRRFDPQFALTNIAVLKHNLNIVIKRS NSTAATNEVPEVTVFSKSPVTLGQPNTLICLVDNIFPPVVNITWLSNGHSVTEGVSETSFLSKSDHSFFKISYLTFLPSA DEIYDCKVEHWGLDEPLLKHWEPETSGDDDDK ; ;EDIVADHVASYGVNLYQSYGPSGQYSHEFDGDEEFYVDLERKETVWQLPLFRRFRRFDPQFALTNIAVLKHNLNIVIKRS NSTAATNEVPEVTVFSKSPVTLGQPNTLICLVDNIFPPVVNITWLSNGHSVTEGVSETSFLSKSDHSFFKISYLTFLPSA DEIYDCKVEHWGLDEPLLKHWEPETSGDDDDK ; A,C ? 2 'polypeptide(L)' no no ;PSGEGSFQPSQENPQGSGGSIEGRGGSGASRDSPEDFVYQFKGMCYFTNGTERVRLVTRYIYNREEYARFDSDVGVYRAV TPLGPPAAEYWNSQKEVLERTRAELDTVCRHNYQLELRTTLQRRVEPTVTISPSRTEALNHHNLLVCSVTDFYPAQIKVR WFRNDQEETTGVVSTPLIRNGDWTFQILVMLEMTPQRGDVYTCHVEHPSLQNPIIVEWRAQSTGGDDDDK ; ;PSGEGSFQPSQENPQGSGGSIEGRGGSGASRDSPEDFVYQFKGMCYFTNGTERVRLVTRYIYNREEYARFDSDVGVYRAV TPLGPPAAEYWNSQKEVLERTRAELDTVCRHNYQLELRTTLQRRVEPTVTISPSRTEALNHHNLLVCSVTDFYPAQIKVR WFRNDQEETTGVVSTPLIRNGDWTFQILVMLEMTPQRGDVYTCHVEHPSLQNPIIVEWRAQSTGGDDDDK ; B,D ? 3 'polypeptide(L)' no no ;MEDQVTQSPEALRLQEGESSSLNCSYTVSGLRGLFWYRQDPGKGPEFLFTLYSAGEEKEKERLKATLTKKESFLHITAPK PEDSATYLCAVALNNNAGNMLTFGGGTRLMVKPHIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDK CVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS ; ;MEDQVTQSPEALRLQEGESSSLNCSYTVSGLRGLFWYRQDPGKGPEFLFTLYSAGEEKEKERLKATLTKKESFLHITAPK PEDSATYLCAVALNNNAGNMLTFGGGTRLMVKPHIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDK CVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS ; E,G ? 4 'polypeptide(L)' no no ;MGVTQTPKHLITATGQRVTLRCSPRSGDLSVYWYQQSLDQGLQFLIQYYNGEERAKGNILERFSAQQFPDLHSELNLSSL ELGDSALYFCASSVAPGSDTQYFGPGTRLTVLEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFFPDHVELSWWVN GKEVHSGVCTDPQPLKEQPALNDSRYALSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGR AD ; ;MGVTQTPKHLITATGQRVTLRCSPRSGDLSVYWYQQSLDQGLQFLIQYYNGEERAKGNILERFSAQQFPDLHSELNLSSL ELGDSALYFCASSVAPGSDTQYFGPGTRLTVLEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFFPDHVELSWWVN GKEVHSGVCTDPQPLKEQPALNDSRYALSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGR AD ; F,H ? 5 'polypeptide(L)' no no APSGEGSFQPSQENPQ APSGEGSFQPSQENPQ I,J ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLU n 1 2 ASP n 1 3 ILE n 1 4 VAL n 1 5 ALA n 1 6 ASP n 1 7 HIS n 1 8 VAL n 1 9 ALA n 1 10 SER n 1 11 TYR n 1 12 GLY n 1 13 VAL n 1 14 ASN n 1 15 LEU n 1 16 TYR n 1 17 GLN n 1 18 SER n 1 19 TYR n 1 20 GLY n 1 21 PRO n 1 22 SER n 1 23 GLY n 1 24 GLN n 1 25 TYR n 1 26 SER n 1 27 HIS n 1 28 GLU n 1 29 PHE n 1 30 ASP n 1 31 GLY n 1 32 ASP n 1 33 GLU n 1 34 GLU n 1 35 PHE n 1 36 TYR n 1 37 VAL n 1 38 ASP n 1 39 LEU n 1 40 GLU n 1 41 ARG n 1 42 LYS n 1 43 GLU n 1 44 THR n 1 45 VAL n 1 46 TRP n 1 47 GLN n 1 48 LEU n 1 49 PRO n 1 50 LEU n 1 51 PHE n 1 52 ARG n 1 53 ARG n 1 54 PHE n 1 55 ARG n 1 56 ARG n 1 57 PHE n 1 58 ASP n 1 59 PRO n 1 60 GLN n 1 61 PHE n 1 62 ALA n 1 63 LEU n 1 64 THR n 1 65 ASN n 1 66 ILE n 1 67 ALA n 1 68 VAL n 1 69 LEU n 1 70 LYS n 1 71 HIS n 1 72 ASN n 1 73 LEU n 1 74 ASN n 1 75 ILE n 1 76 VAL n 1 77 ILE n 1 78 LYS n 1 79 ARG n 1 80 SER n 1 81 ASN n 1 82 SER n 1 83 THR n 1 84 ALA n 1 85 ALA n 1 86 THR n 1 87 ASN n 1 88 GLU n 1 89 VAL n 1 90 PRO n 1 91 GLU n 1 92 VAL n 1 93 THR n 1 94 VAL n 1 95 PHE n 1 96 SER n 1 97 LYS n 1 98 SER n 1 99 PRO n 1 100 VAL n 1 101 THR n 1 102 LEU n 1 103 GLY n 1 104 GLN n 1 105 PRO n 1 106 ASN n 1 107 THR n 1 108 LEU n 1 109 ILE n 1 110 CYS n 1 111 LEU n 1 112 VAL n 1 113 ASP n 1 114 ASN n 1 115 ILE n 1 116 PHE n 1 117 PRO n 1 118 PRO n 1 119 VAL n 1 120 VAL n 1 121 ASN n 1 122 ILE n 1 123 THR n 1 124 TRP n 1 125 LEU n 1 126 SER n 1 127 ASN n 1 128 GLY n 1 129 HIS n 1 130 SER n 1 131 VAL n 1 132 THR n 1 133 GLU n 1 134 GLY n 1 135 VAL n 1 136 SER n 1 137 GLU n 1 138 THR n 1 139 SER n 1 140 PHE n 1 141 LEU n 1 142 SER n 1 143 LYS n 1 144 SER n 1 145 ASP n 1 146 HIS n 1 147 SER n 1 148 PHE n 1 149 PHE n 1 150 LYS n 1 151 ILE n 1 152 SER n 1 153 TYR n 1 154 LEU n 1 155 THR n 1 156 PHE n 1 157 LEU n 1 158 PRO n 1 159 SER n 1 160 ALA n 1 161 ASP n 1 162 GLU n 1 163 ILE n 1 164 TYR n 1 165 ASP n 1 166 CYS n 1 167 LYS n 1 168 VAL n 1 169 GLU n 1 170 HIS n 1 171 TRP n 1 172 GLY n 1 173 LEU n 1 174 ASP n 1 175 GLU n 1 176 PRO n 1 177 LEU n 1 178 LEU n 1 179 LYS n 1 180 HIS n 1 181 TRP n 1 182 GLU n 1 183 PRO n 1 184 GLU n 1 185 THR n 1 186 SER n 1 187 GLY n 1 188 ASP n 1 189 ASP n 1 190 ASP n 1 191 ASP n 1 192 LYS n 2 1 PRO n 2 2 SER n 2 3 GLY n 2 4 GLU n 2 5 GLY n 2 6 SER n 2 7 PHE n 2 8 GLN n 2 9 PRO n 2 10 SER n 2 11 GLN n 2 12 GLU n 2 13 ASN n 2 14 PRO n 2 15 GLN n 2 16 GLY n 2 17 SER n 2 18 GLY n 2 19 GLY n 2 20 SER n 2 21 ILE n 2 22 GLU n 2 23 GLY n 2 24 ARG n 2 25 GLY n 2 26 GLY n 2 27 SER n 2 28 GLY n 2 29 ALA n 2 30 SER n 2 31 ARG n 2 32 ASP n 2 33 SER n 2 34 PRO n 2 35 GLU n 2 36 ASP n 2 37 PHE n 2 38 VAL n 2 39 TYR n 2 40 GLN n 2 41 PHE n 2 42 LYS n 2 43 GLY n 2 44 MET n 2 45 CYS n 2 46 TYR n 2 47 PHE n 2 48 THR n 2 49 ASN n 2 50 GLY n 2 51 THR n 2 52 GLU n 2 53 ARG n 2 54 VAL n 2 55 ARG n 2 56 LEU n 2 57 VAL n 2 58 THR n 2 59 ARG n 2 60 TYR n 2 61 ILE n 2 62 TYR n 2 63 ASN n 2 64 ARG n 2 65 GLU n 2 66 GLU n 2 67 TYR n 2 68 ALA n 2 69 ARG n 2 70 PHE n 2 71 ASP n 2 72 SER n 2 73 ASP n 2 74 VAL n 2 75 GLY n 2 76 VAL n 2 77 TYR n 2 78 ARG n 2 79 ALA n 2 80 VAL n 2 81 THR n 2 82 PRO n 2 83 LEU n 2 84 GLY n 2 85 PRO n 2 86 PRO n 2 87 ALA n 2 88 ALA n 2 89 GLU n 2 90 TYR n 2 91 TRP n 2 92 ASN n 2 93 SER n 2 94 GLN n 2 95 LYS n 2 96 GLU n 2 97 VAL n 2 98 LEU n 2 99 GLU n 2 100 ARG n 2 101 THR n 2 102 ARG n 2 103 ALA n 2 104 GLU n 2 105 LEU n 2 106 ASP n 2 107 THR n 2 108 VAL n 2 109 CYS n 2 110 ARG n 2 111 HIS n 2 112 ASN n 2 113 TYR n 2 114 GLN n 2 115 LEU n 2 116 GLU n 2 117 LEU n 2 118 ARG n 2 119 THR n 2 120 THR n 2 121 LEU n 2 122 GLN n 2 123 ARG n 2 124 ARG n 2 125 VAL n 2 126 GLU n 2 127 PRO n 2 128 THR n 2 129 VAL n 2 130 THR n 2 131 ILE n 2 132 SER n 2 133 PRO n 2 134 SER n 2 135 ARG n 2 136 THR n 2 137 GLU n 2 138 ALA n 2 139 LEU n 2 140 ASN n 2 141 HIS n 2 142 HIS n 2 143 ASN n 2 144 LEU n 2 145 LEU n 2 146 VAL n 2 147 CYS n 2 148 SER n 2 149 VAL n 2 150 THR n 2 151 ASP n 2 152 PHE n 2 153 TYR n 2 154 PRO n 2 155 ALA n 2 156 GLN n 2 157 ILE n 2 158 LYS n 2 159 VAL n 2 160 ARG n 2 161 TRP n 2 162 PHE n 2 163 ARG n 2 164 ASN n 2 165 ASP n 2 166 GLN n 2 167 GLU n 2 168 GLU n 2 169 THR n 2 170 THR n 2 171 GLY n 2 172 VAL n 2 173 VAL n 2 174 SER n 2 175 THR n 2 176 PRO n 2 177 LEU n 2 178 ILE n 2 179 ARG n 2 180 ASN n 2 181 GLY n 2 182 ASP n 2 183 TRP n 2 184 THR n 2 185 PHE n 2 186 GLN n 2 187 ILE n 2 188 LEU n 2 189 VAL n 2 190 MET n 2 191 LEU n 2 192 GLU n 2 193 MET n 2 194 THR n 2 195 PRO n 2 196 GLN n 2 197 ARG n 2 198 GLY n 2 199 ASP n 2 200 VAL n 2 201 TYR n 2 202 THR n 2 203 CYS n 2 204 HIS n 2 205 VAL n 2 206 GLU n 2 207 HIS n 2 208 PRO n 2 209 SER n 2 210 LEU n 2 211 GLN n 2 212 ASN n 2 213 PRO n 2 214 ILE n 2 215 ILE n 2 216 VAL n 2 217 GLU n 2 218 TRP n 2 219 ARG n 2 220 ALA n 2 221 GLN n 2 222 SER n 2 223 THR n 2 224 GLY n 2 225 GLY n 2 226 ASP n 2 227 ASP n 2 228 ASP n 2 229 ASP n 2 230 LYS n 3 1 MET n 3 2 GLU n 3 3 ASP n 3 4 GLN n 3 5 VAL n 3 6 THR n 3 7 GLN n 3 8 SER n 3 9 PRO n 3 10 GLU n 3 11 ALA n 3 12 LEU n 3 13 ARG n 3 14 LEU n 3 15 GLN n 3 16 GLU n 3 17 GLY n 3 18 GLU n 3 19 SER n 3 20 SER n 3 21 SER n 3 22 LEU n 3 23 ASN n 3 24 CYS n 3 25 SER n 3 26 TYR n 3 27 THR n 3 28 VAL n 3 29 SER n 3 30 GLY n 3 31 LEU n 3 32 ARG n 3 33 GLY n 3 34 LEU n 3 35 PHE n 3 36 TRP n 3 37 TYR n 3 38 ARG n 3 39 GLN n 3 40 ASP n 3 41 PRO n 3 42 GLY n 3 43 LYS n 3 44 GLY n 3 45 PRO n 3 46 GLU n 3 47 PHE n 3 48 LEU n 3 49 PHE n 3 50 THR n 3 51 LEU n 3 52 TYR n 3 53 SER n 3 54 ALA n 3 55 GLY n 3 56 GLU n 3 57 GLU n 3 58 LYS n 3 59 GLU n 3 60 LYS n 3 61 GLU n 3 62 ARG n 3 63 LEU n 3 64 LYS n 3 65 ALA n 3 66 THR n 3 67 LEU n 3 68 THR n 3 69 LYS n 3 70 LYS n 3 71 GLU n 3 72 SER n 3 73 PHE n 3 74 LEU n 3 75 HIS n 3 76 ILE n 3 77 THR n 3 78 ALA n 3 79 PRO n 3 80 LYS n 3 81 PRO n 3 82 GLU n 3 83 ASP n 3 84 SER n 3 85 ALA n 3 86 THR n 3 87 TYR n 3 88 LEU n 3 89 CYS n 3 90 ALA n 3 91 VAL n 3 92 ALA n 3 93 LEU n 3 94 ASN n 3 95 ASN n 3 96 ASN n 3 97 ALA n 3 98 GLY n 3 99 ASN n 3 100 MET n 3 101 LEU n 3 102 THR n 3 103 PHE n 3 104 GLY n 3 105 GLY n 3 106 GLY n 3 107 THR n 3 108 ARG n 3 109 LEU n 3 110 MET n 3 111 VAL n 3 112 LYS n 3 113 PRO n 3 114 HIS n 3 115 ILE n 3 116 GLN n 3 117 ASN n 3 118 PRO n 3 119 ASP n 3 120 PRO n 3 121 ALA n 3 122 VAL n 3 123 TYR n 3 124 GLN n 3 125 LEU n 3 126 ARG n 3 127 ASP n 3 128 SER n 3 129 LYS n 3 130 SER n 3 131 SER n 3 132 ASP n 3 133 LYS n 3 134 SER n 3 135 VAL n 3 136 CYS n 3 137 LEU n 3 138 PHE n 3 139 THR n 3 140 ASP n 3 141 PHE n 3 142 ASP n 3 143 SER n 3 144 GLN n 3 145 THR n 3 146 ASN n 3 147 VAL n 3 148 SER n 3 149 GLN n 3 150 SER n 3 151 LYS n 3 152 ASP n 3 153 SER n 3 154 ASP n 3 155 VAL n 3 156 TYR n 3 157 ILE n 3 158 THR n 3 159 ASP n 3 160 LYS n 3 161 CYS n 3 162 VAL n 3 163 LEU n 3 164 ASP n 3 165 MET n 3 166 ARG n 3 167 SER n 3 168 MET n 3 169 ASP n 3 170 PHE n 3 171 LYS n 3 172 SER n 3 173 ASN n 3 174 SER n 3 175 ALA n 3 176 VAL n 3 177 ALA n 3 178 TRP n 3 179 SER n 3 180 ASN n 3 181 LYS n 3 182 SER n 3 183 ASP n 3 184 PHE n 3 185 ALA n 3 186 CYS n 3 187 ALA n 3 188 ASN n 3 189 ALA n 3 190 PHE n 3 191 ASN n 3 192 ASN n 3 193 SER n 3 194 ILE n 3 195 ILE n 3 196 PRO n 3 197 GLU n 3 198 ASP n 3 199 THR n 3 200 PHE n 3 201 PHE n 3 202 PRO n 3 203 SER n 3 204 PRO n 3 205 GLU n 3 206 SER n 3 207 SER n 4 1 MET n 4 2 GLY n 4 3 VAL n 4 4 THR n 4 5 GLN n 4 6 THR n 4 7 PRO n 4 8 LYS n 4 9 HIS n 4 10 LEU n 4 11 ILE n 4 12 THR n 4 13 ALA n 4 14 THR n 4 15 GLY n 4 16 GLN n 4 17 ARG n 4 18 VAL n 4 19 THR n 4 20 LEU n 4 21 ARG n 4 22 CYS n 4 23 SER n 4 24 PRO n 4 25 ARG n 4 26 SER n 4 27 GLY n 4 28 ASP n 4 29 LEU n 4 30 SER n 4 31 VAL n 4 32 TYR n 4 33 TRP n 4 34 TYR n 4 35 GLN n 4 36 GLN n 4 37 SER n 4 38 LEU n 4 39 ASP n 4 40 GLN n 4 41 GLY n 4 42 LEU n 4 43 GLN n 4 44 PHE n 4 45 LEU n 4 46 ILE n 4 47 GLN n 4 48 TYR n 4 49 TYR n 4 50 ASN n 4 51 GLY n 4 52 GLU n 4 53 GLU n 4 54 ARG n 4 55 ALA n 4 56 LYS n 4 57 GLY n 4 58 ASN n 4 59 ILE n 4 60 LEU n 4 61 GLU n 4 62 ARG n 4 63 PHE n 4 64 SER n 4 65 ALA n 4 66 GLN n 4 67 GLN n 4 68 PHE n 4 69 PRO n 4 70 ASP n 4 71 LEU n 4 72 HIS n 4 73 SER n 4 74 GLU n 4 75 LEU n 4 76 ASN n 4 77 LEU n 4 78 SER n 4 79 SER n 4 80 LEU n 4 81 GLU n 4 82 LEU n 4 83 GLY n 4 84 ASP n 4 85 SER n 4 86 ALA n 4 87 LEU n 4 88 TYR n 4 89 PHE n 4 90 CYS n 4 91 ALA n 4 92 SER n 4 93 SER n 4 94 VAL n 4 95 ALA n 4 96 PRO n 4 97 GLY n 4 98 SER n 4 99 ASP n 4 100 THR n 4 101 GLN n 4 102 TYR n 4 103 PHE n 4 104 GLY n 4 105 PRO n 4 106 GLY n 4 107 THR n 4 108 ARG n 4 109 LEU n 4 110 THR n 4 111 VAL n 4 112 LEU n 4 113 GLU n 4 114 ASP n 4 115 LEU n 4 116 LYS n 4 117 ASN n 4 118 VAL n 4 119 PHE n 4 120 PRO n 4 121 PRO n 4 122 GLU n 4 123 VAL n 4 124 ALA n 4 125 VAL n 4 126 PHE n 4 127 GLU n 4 128 PRO n 4 129 SER n 4 130 GLU n 4 131 ALA n 4 132 GLU n 4 133 ILE n 4 134 SER n 4 135 HIS n 4 136 THR n 4 137 GLN n 4 138 LYS n 4 139 ALA n 4 140 THR n 4 141 LEU n 4 142 VAL n 4 143 CYS n 4 144 LEU n 4 145 ALA n 4 146 THR n 4 147 GLY n 4 148 PHE n 4 149 PHE n 4 150 PRO n 4 151 ASP n 4 152 HIS n 4 153 VAL n 4 154 GLU n 4 155 LEU n 4 156 SER n 4 157 TRP n 4 158 TRP n 4 159 VAL n 4 160 ASN n 4 161 GLY n 4 162 LYS n 4 163 GLU n 4 164 VAL n 4 165 HIS n 4 166 SER n 4 167 GLY n 4 168 VAL n 4 169 CYS n 4 170 THR n 4 171 ASP n 4 172 PRO n 4 173 GLN n 4 174 PRO n 4 175 LEU n 4 176 LYS n 4 177 GLU n 4 178 GLN n 4 179 PRO n 4 180 ALA n 4 181 LEU n 4 182 ASN n 4 183 ASP n 4 184 SER n 4 185 ARG n 4 186 TYR n 4 187 ALA n 4 188 LEU n 4 189 SER n 4 190 SER n 4 191 ARG n 4 192 LEU n 4 193 ARG n 4 194 VAL n 4 195 SER n 4 196 ALA n 4 197 THR n 4 198 PHE n 4 199 TRP n 4 200 GLN n 4 201 ASN n 4 202 PRO n 4 203 ARG n 4 204 ASN n 4 205 HIS n 4 206 PHE n 4 207 ARG n 4 208 CYS n 4 209 GLN n 4 210 VAL n 4 211 GLN n 4 212 PHE n 4 213 TYR n 4 214 GLY n 4 215 LEU n 4 216 SER n 4 217 GLU n 4 218 ASN n 4 219 ASP n 4 220 GLU n 4 221 TRP n 4 222 THR n 4 223 GLN n 4 224 ASP n 4 225 ARG n 4 226 ALA n 4 227 LYS n 4 228 PRO n 4 229 VAL n 4 230 THR n 4 231 GLN n 4 232 ILE n 4 233 VAL n 4 234 SER n 4 235 ALA n 4 236 GLU n 4 237 ALA n 4 238 TRP n 4 239 GLY n 4 240 ARG n 4 241 ALA n 4 242 ASP n 5 1 ALA n 5 2 PRO n 5 3 SER n 5 4 GLY n 5 5 GLU n 5 6 GLY n 5 7 SER n 5 8 PHE n 5 9 GLN n 5 10 PRO n 5 11 SER n 5 12 GLN n 5 13 GLU n 5 14 ASN n 5 15 PRO n 5 16 GLN 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' 1 192 Human ? HLA-DQA1 ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Trichoplusia ni' 7111 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample 'Biological sequence' 1 16 ? ? ? ? ? ? ? ? ? 'Triticum aestivum' 4565 ? ? ? ? ? ? ? ? 'Trichoplusia ni' 7111 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 2 sample 'Biological sequence' 17 230 Human ? HLA-DQB1 ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Trichoplusia ni' 7111 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 3 1 sample 'Biological sequence' 1 207 ? ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 4 1 sample 'Biological sequence' 1 242 ? ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 5 1 sample 'Biological sequence' 1 16 ? ? ? ? ? ? ? ? ? 'Triticum aestivum' 4565 ? ? ? ? ? ? ? ? 'Trichoplusia ni' 7111 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # 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 Q30063_HUMAN Q30063 ? 1 ;EDIVADHVASYGVNLYQSYGPSGQYSHEFDGDEEFYVDLERKETVWQLPLFRRFRRFDPQFALTNIAVLKHNLNIVIKRS NSTAATNEVPEVTVFSKSPVTLGQPNTLICLVDNIFPPVVNITWLSNGHSVTEGVSETSFLSKSDHSFFKISYLTFLPSA DEIYDCKVEHWGLDEPLLKHWEPE ; 24 2 PDB 5KS9 5KS9 ? 2 ? 1 3 UNP U3PYM0_HUMAN U3PYM0 ? 2 ;RDSPEDFVYQFKGMCYFTNGTERVRLVTRYIYNREEYARFDSDVGVYRAVTPLGPPAAEYWNSQKEVLERTRAELDTVCR HNYQLELRTTLQRRVEPTVTISPSRTEALNHHNLLVCSVTDFYPAQIKVRWFRNDQEETTGVVSTPLIRNGDWTFQILVM LEMTPQRGDVYTCHVEHPSLQNPIIVEWRAQS ; 33 4 PDB 5KS9 5KS9 ? 3 ? 1 5 PDB 5KS9 5KS9 ? 4 ? 1 6 PDB 5KS9 5KS9 ? 5 ? 1 # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 5KS9 A 1 ? 184 ? Q30063 24 ? 207 ? -1 181 2 2 5KS9 B 1 ? 16 ? 5KS9 -29 ? -14 ? -29 -14 3 3 5KS9 B 31 ? 222 ? U3PYM0 33 ? 224 ? 1 192 4 1 5KS9 C 1 ? 184 ? Q30063 24 ? 207 ? -1 181 5 2 5KS9 D 1 ? 16 ? 5KS9 -29 ? -14 ? -29 -14 6 3 5KS9 D 31 ? 222 ? U3PYM0 33 ? 224 ? 1 192 7 4 5KS9 E 1 ? 207 ? 5KS9 6 ? 222 ? 6 222 8 5 5KS9 F 1 ? 242 ? 5KS9 2 ? 257 ? 2 257 9 4 5KS9 G 1 ? 207 ? 5KS9 6 ? 222 ? 6 222 10 5 5KS9 H 1 ? 242 ? 5KS9 2 ? 257 ? 2 257 11 6 5KS9 I 1 ? 16 ? 5KS9 -4 ? 12 ? -4 12 12 6 5KS9 J 1 ? 16 ? 5KS9 -4 ? 12 ? -4 12 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 5KS9 THR A 185 ? UNP Q30063 ? ? 'expression tag' 182 1 1 5KS9 SER A 186 ? UNP Q30063 ? ? 'expression tag' 183 2 1 5KS9 GLY A 187 ? UNP Q30063 ? ? 'expression tag' 184 3 1 5KS9 ASP A 188 ? UNP Q30063 ? ? 'expression tag' 185 4 1 5KS9 ASP A 189 ? UNP Q30063 ? ? 'expression tag' 186 5 1 5KS9 ASP A 190 ? UNP Q30063 ? ? 'expression tag' 187 6 1 5KS9 ASP A 191 ? UNP Q30063 ? ? 'expression tag' 188 7 1 5KS9 LYS A 192 ? UNP Q30063 ? ? 'expression tag' 189 8 2 5KS9 SER B 17 ? PDB ? ? ? linker -13 9 2 5KS9 GLY B 18 ? PDB ? ? ? linker -12 10 2 5KS9 GLY B 19 ? PDB ? ? ? linker -11 11 2 5KS9 SER B 20 ? PDB ? ? ? linker -10 12 2 5KS9 ILE B 21 ? PDB ? ? ? linker -9 13 2 5KS9 GLU B 22 ? PDB ? ? ? linker -8 14 2 5KS9 GLY B 23 ? PDB ? ? ? linker -7 15 2 5KS9 ARG B 24 ? PDB ? ? ? linker -6 16 2 5KS9 GLY B 25 ? PDB ? ? ? linker -5 17 2 5KS9 GLY B 26 ? PDB ? ? ? linker -4 18 2 5KS9 SER B 27 ? PDB ? ? ? linker -3 19 2 5KS9 GLY B 28 ? PDB ? ? ? linker -2 20 2 5KS9 ALA B 29 ? PDB ? ? ? linker -1 21 2 5KS9 SER B 30 ? PDB ? ? ? linker 0 22 3 5KS9 THR B 223 ? UNP U3PYM0 ? ? 'expression tag' 193 23 3 5KS9 GLY B 224 ? UNP U3PYM0 ? ? 'expression tag' 194 24 3 5KS9 GLY B 225 ? UNP U3PYM0 ? ? 'expression tag' 195 25 3 5KS9 ASP B 226 ? UNP U3PYM0 ? ? 'expression tag' 196 26 3 5KS9 ASP B 227 ? UNP U3PYM0 ? ? 'expression tag' 197 27 3 5KS9 ASP B 228 ? UNP U3PYM0 ? ? 'expression tag' 198 28 3 5KS9 ASP B 229 ? UNP U3PYM0 ? ? 'expression tag' 199 29 3 5KS9 LYS B 230 ? UNP U3PYM0 ? ? 'expression tag' 200 30 4 5KS9 THR C 185 ? UNP Q30063 ? ? 'expression tag' 182 31 4 5KS9 SER C 186 ? UNP Q30063 ? ? 'expression tag' 183 32 4 5KS9 GLY C 187 ? UNP Q30063 ? ? 'expression tag' 184 33 4 5KS9 ASP C 188 ? UNP Q30063 ? ? 'expression tag' 185 34 4 5KS9 ASP C 189 ? UNP Q30063 ? ? 'expression tag' 186 35 4 5KS9 ASP C 190 ? UNP Q30063 ? ? 'expression tag' 187 36 4 5KS9 ASP C 191 ? UNP Q30063 ? ? 'expression tag' 188 37 4 5KS9 LYS C 192 ? UNP Q30063 ? ? 'expression tag' 189 38 5 5KS9 SER D 17 ? PDB ? ? ? linker -13 39 5 5KS9 GLY D 18 ? PDB ? ? ? linker -12 40 5 5KS9 GLY D 19 ? PDB ? ? ? linker -11 41 5 5KS9 SER D 20 ? PDB ? ? ? linker -10 42 5 5KS9 ILE D 21 ? PDB ? ? ? linker -9 43 5 5KS9 GLU D 22 ? PDB ? ? ? linker -8 44 5 5KS9 GLY D 23 ? PDB ? ? ? linker -7 45 5 5KS9 ARG D 24 ? PDB ? ? ? linker -6 46 5 5KS9 GLY D 25 ? PDB ? ? ? linker -5 47 5 5KS9 GLY D 26 ? PDB ? ? ? linker -4 48 5 5KS9 SER D 27 ? PDB ? ? ? linker -3 49 5 5KS9 GLY D 28 ? PDB ? ? ? linker -2 50 5 5KS9 ALA D 29 ? PDB ? ? ? linker -1 51 5 5KS9 SER D 30 ? PDB ? ? ? linker 0 52 6 5KS9 THR D 223 ? UNP U3PYM0 ? ? 'expression tag' 193 53 6 5KS9 GLY D 224 ? UNP U3PYM0 ? ? 'expression tag' 194 54 6 5KS9 GLY D 225 ? UNP U3PYM0 ? ? 'expression tag' 195 55 6 5KS9 ASP D 226 ? UNP U3PYM0 ? ? 'expression tag' 196 56 6 5KS9 ASP D 227 ? UNP U3PYM0 ? ? 'expression tag' 197 57 6 5KS9 ASP D 228 ? UNP U3PYM0 ? ? 'expression tag' 198 58 6 5KS9 ASP D 229 ? UNP U3PYM0 ? ? 'expression tag' 199 59 6 5KS9 LYS D 230 ? UNP U3PYM0 ? ? 'expression tag' 200 60 # 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 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 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 5KS9 _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 2.43 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 49.45 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH ? _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293.15 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.2M Na-Acetate, 22% PEG8000, Tris/Cl pH8' _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 CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'ADSC QUANTUM 315r' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2014-04-06 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9686 _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 'AUSTRALIAN SYNCHROTRON BEAMLINE MX2' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.9686 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline MX2 _diffrn_source.pdbx_synchrotron_site 'Australian Synchrotron' # _reflns.B_iso_Wilson_estimate 38.28 _reflns.entry_id 5KS9 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.55 _reflns.d_resolution_low 46.9 _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 63405 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 98.84 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 1.9 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 5.52 _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 . _reflns_shell.d_res_low ? _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs ? _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 ? _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 ? _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] 5.17490 _refine.aniso_B[1][2] 0.00000 _refine.aniso_B[1][3] 3.12590 _refine.aniso_B[2][2] -4.89810 _refine.aniso_B[2][3] 0.00000 _refine.aniso_B[3][3] -0.27680 _refine.B_iso_max ? _refine.B_iso_mean 36.26 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.928 _refine.correlation_coeff_Fo_to_Fc_free 0.916 _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 5KS9 _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 2.55 _refine.ls_d_res_low 46.90 _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 63405 _refine.ls_number_reflns_R_free 1263 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 98.8 _refine.ls_percent_reflns_R_free 1.990 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.200 _refine.ls_R_factor_R_free 0.224 _refine.ls_R_factor_R_free_error 0.000 _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.199 _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 0.000 _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 ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _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 0.264 _refine.pdbx_overall_SU_R_free_Blow_DPI 0.263 _refine.pdbx_overall_SU_R_Blow_DPI 0.661 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML ? _refine.overall_SU_R_Cruickshank_DPI 0.612 _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_analyze.entry_id 5KS9 _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_coordinate_error_obs 0.34 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_sigma_a_free_details ? _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_sigma_a_obs_details ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.RG_d_res_high ? _refine_analyze.RG_d_res_low ? _refine_analyze.RG_free ? _refine_analyze.RG_work ? _refine_analyze.RG_free_work_ratio ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 12756 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 60 _refine_hist.number_atoms_solvent 694 _refine_hist.number_atoms_total 13510 _refine_hist.d_res_high 2.55 _refine_hist.d_res_low 46.90 # 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 ? 13168 ? t_bond_d 2.00 HARMONIC 'X-RAY DIFFRACTION' ? 1.16 ? 17958 ? t_angle_deg 2.00 HARMONIC 'X-RAY DIFFRACTION' ? ? ? 5926 ? t_dihedral_angle_d 2.00 SINUSOIDAL 'X-RAY DIFFRACTION' ? ? ? ? ? t_incorr_chiral_ct ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_pseud_angle ? ? 'X-RAY DIFFRACTION' ? ? ? 343 ? t_trig_c_planes 2.00 HARMONIC 'X-RAY DIFFRACTION' ? ? ? 1913 ? t_gen_planes 5.00 HARMONIC 'X-RAY DIFFRACTION' ? ? ? 13168 ? t_it 20.00 HARMONIC 'X-RAY DIFFRACTION' ? ? ? 5 ? t_nbd 5.00 SEMIHARMONIC 'X-RAY DIFFRACTION' ? 3.91 ? ? ? t_omega_torsion ? ? 'X-RAY DIFFRACTION' ? 3.13 ? ? ? t_other_torsion ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_improper_torsion ? ? 'X-RAY DIFFRACTION' ? ? ? 1708 ? t_chiral_improper_torsion 5.00 SEMIHARMONIC 'X-RAY DIFFRACTION' ? ? ? ? ? t_sum_occupancies ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_utility_distance ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_utility_angle ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_utility_torsion ? ? 'X-RAY DIFFRACTION' ? ? ? 14623 ? t_ideal_dist_contact 4.00 SEMIHARMONIC # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 2.55 _refine_ls_shell.d_res_low 2.62 _refine_ls_shell.number_reflns_all 4680 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 102 _refine_ls_shell.number_reflns_R_work 4578 _refine_ls_shell.percent_reflns_obs 99.15 _refine_ls_shell.percent_reflns_R_free 2.18 _refine_ls_shell.R_factor_all 0.217 _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.231 _refine_ls_shell.R_factor_R_free_error 0.000 _refine_ls_shell.R_factor_R_work 0.216 _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 5KS9 _struct.title 'Bel502-DQ8-glia-alpha1 complex' _struct.pdbx_descriptor ? _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _struct_keywords.entry_id 5KS9 _struct_keywords.text 'Celiac Disease T cell receptor peptide MHC complex, 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 1 ? D N N 2 ? E N N 3 ? F N N 4 ? G N N 3 ? H N N 4 ? I N N 5 ? J N N 5 ? K N N 6 ? L N N 7 ? M N N 6 ? N N N 6 ? O N N 7 ? P N N 6 ? Q N N 7 ? R N N 7 ? S N N 8 ? T N N 8 ? U N N 8 ? V N N 8 ? W N N 8 ? X N N 8 ? Y N N 8 ? Z N N 8 ? AA N N 8 ? BA N N 8 ? # 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 LEU A 48 ? PHE A 54 ? LEU A 45 PHE A 51 1 ? 7 HELX_P HELX_P2 AA2 ASP A 58 ? SER A 80 ? ASP A 55 SER A 77 1 ? 23 HELX_P HELX_P3 AA3 GLY B 84 ? SER B 93 ? GLY B 54 SER B 63 1 ? 10 HELX_P HELX_P4 AA4 GLN B 94 ? VAL B 108 ? GLN B 64 VAL B 78 1 ? 15 HELX_P HELX_P5 AA5 VAL B 108 ? LEU B 117 ? VAL B 78 LEU B 87 1 ? 10 HELX_P HELX_P6 AA6 LEU C 50 ? PHE C 54 ? LEU C 47 PHE C 51 1 ? 5 HELX_P HELX_P7 AA7 ASP C 58 ? SER C 80 ? ASP C 55 SER C 77 1 ? 23 HELX_P HELX_P8 AA8 GLY D 84 ? SER D 93 ? GLY D 54 SER D 63 1 ? 10 HELX_P HELX_P9 AA9 GLN D 94 ? VAL D 108 ? GLN D 64 VAL D 78 1 ? 15 HELX_P HELX_P10 AB1 VAL D 108 ? THR D 119 ? VAL D 78 THR D 89 1 ? 12 HELX_P HELX_P11 AB2 THR D 120 ? ARG D 123 ? THR D 90 ARG D 93 5 ? 4 HELX_P HELX_P12 AB3 LYS E 80 ? SER E 84 ? LYS E 95 SER E 99 5 ? 5 HELX_P HELX_P13 AB4 GLU F 81 ? SER F 85 ? GLU F 95 SER F 99 5 ? 5 HELX_P HELX_P14 AB5 ASP F 114 ? VAL F 118 ? ASP F 129 VAL F 133 5 ? 5 HELX_P HELX_P15 AB6 SER F 129 ? GLN F 137 ? SER F 144 GLN F 152 1 ? 9 HELX_P HELX_P16 AB7 ALA F 196 ? GLN F 200 ? ALA F 211 GLN F 215 1 ? 5 HELX_P HELX_P17 AB8 LYS G 80 ? SER G 84 ? LYS G 95 SER G 99 5 ? 5 HELX_P HELX_P18 AB9 GLU H 81 ? SER H 85 ? GLU H 95 SER H 99 5 ? 5 HELX_P HELX_P19 AC1 SER H 129 ? GLN H 137 ? SER H 144 GLN H 152 1 ? 9 HELX_P HELX_P20 AC2 ALA H 196 ? GLN H 200 ? ALA H 211 GLN H 215 1 ? 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 110 SG ? ? ? 1_555 A CYS 166 SG ? ? A CYS 107 A CYS 163 1_555 ? ? ? ? ? ? ? 2.031 ? disulf2 disulf ? ? B CYS 45 SG ? ? ? 1_555 B CYS 109 SG ? ? B CYS 15 B CYS 79 1_555 ? ? ? ? ? ? ? 2.053 ? disulf3 disulf ? ? C CYS 110 SG ? ? ? 1_555 C CYS 166 SG ? ? C CYS 107 C CYS 163 1_555 ? ? ? ? ? ? ? 2.037 ? disulf4 disulf ? ? D CYS 45 SG ? ? ? 1_555 D CYS 109 SG ? ? D CYS 15 D CYS 79 1_555 ? ? ? ? ? ? ? 2.058 ? disulf5 disulf ? ? D CYS 147 SG ? ? ? 1_555 D CYS 203 SG ? ? D CYS 117 D CYS 173 1_555 ? ? ? ? ? ? ? 2.036 ? disulf6 disulf ? ? E CYS 24 SG ? ? ? 1_555 E CYS 89 SG ? ? E CYS 29 E CYS 104 1_555 ? ? ? ? ? ? ? 2.024 ? disulf7 disulf ? ? E CYS 136 SG ? ? ? 1_555 E CYS 186 SG ? ? E CYS 151 E CYS 201 1_555 ? ? ? ? ? ? ? 2.045 ? disulf8 disulf ? ? E CYS 161 SG ? ? ? 1_555 F CYS 169 SG ? ? E CYS 176 F CYS 184 1_555 ? ? ? ? ? ? ? 2.034 ? disulf9 disulf ? ? F CYS 22 SG ? ? ? 1_555 F CYS 90 SG ? ? F CYS 23 F CYS 104 1_555 ? ? ? ? ? ? ? 2.025 ? disulf10 disulf ? ? F CYS 143 SG ? ? ? 1_555 F CYS 208 SG ? ? F CYS 158 F CYS 223 1_555 ? ? ? ? ? ? ? 2.028 ? disulf11 disulf ? ? G CYS 24 SG ? ? ? 1_555 G CYS 89 SG ? ? G CYS 29 G CYS 104 1_555 ? ? ? ? ? ? ? 2.028 ? disulf12 disulf ? ? G CYS 136 SG ? ? ? 1_555 G CYS 186 SG ? ? G CYS 151 G CYS 201 1_555 ? ? ? ? ? ? ? 2.044 ? disulf13 disulf ? ? G CYS 161 SG ? ? ? 1_555 H CYS 169 SG ? ? G CYS 176 H CYS 184 1_555 ? ? ? ? ? ? ? 2.034 ? disulf14 disulf ? ? H CYS 22 SG ? ? ? 1_555 H CYS 90 SG ? ? H CYS 23 H CYS 104 1_555 ? ? ? ? ? ? ? 2.025 ? disulf15 disulf ? ? H CYS 143 SG ? ? ? 1_555 H CYS 208 SG ? ? H CYS 158 H CYS 223 1_555 ? ? ? ? ? ? ? 2.032 ? metalc1 metalc ? ? A GLN 47 OE1 ? ? ? 1_555 L CA . CA ? ? A GLN 44 A CA 302 1_555 ? ? ? ? ? ? ? 2.533 ? covale1 covale one ? A ASN 121 ND2 ? ? ? 1_555 K NAG . C1 ? ? A ASN 118 A NAG 301 1_555 ? ? ? ? ? ? ? 1.433 ? covale2 covale one ? B ASN 49 ND2 ? ? ? 1_555 M NAG . C1 ? ? B ASN 19 B NAG 1000 1_555 ? ? ? ? ? ? ? 1.435 ? metalc2 metalc ? ? C GLN 47 OE1 ? ? ? 1_555 O CA . CA ? ? C GLN 44 C CA 302 1_555 ? ? ? ? ? ? ? 2.798 ? covale3 covale one ? C ASN 121 ND2 ? ? ? 1_555 N NAG . C1 ? ? C ASN 118 C NAG 301 1_555 ? ? ? ? ? ? ? 1.431 ? covale4 covale one ? D ASN 49 ND2 ? ? ? 1_555 P NAG . C1 ? ? D ASN 19 D NAG 1000 1_555 ? ? ? ? ? ? ? 1.432 ? metalc3 metalc ? ? E GLN 149 OE1 ? ? ? 1_555 Q CA . CA ? ? E GLN 164 E CA 301 1_555 ? ? ? ? ? ? ? 2.171 ? metalc4 metalc ? ? E ASP 159 OD1 ? ? ? 1_555 Q CA . CA ? ? E ASP 174 E CA 301 1_555 ? ? ? ? ? ? ? 2.357 ? metalc5 metalc ? ? G GLN 149 OE1 ? ? ? 1_555 R CA . CA ? ? G GLN 164 G CA 301 1_555 ? ? ? ? ? ? ? 2.885 ? metalc6 metalc ? ? G ASP 159 OD1 ? ? ? 1_555 R CA . CA ? ? G ASP 174 G CA 301 1_555 ? ? ? ? ? ? ? 2.142 ? metalc7 metalc ? ? L CA . CA ? ? ? 1_555 S HOH . O ? ? A CA 302 A HOH 450 1_555 ? ? ? ? ? ? ? 2.757 ? metalc8 metalc ? ? R CA . CA ? ? ? 1_555 Y HOH . O ? ? G CA 301 G HOH 408 1_555 ? ? ? ? ? ? ? 2.557 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? metalc ? ? 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 11 A . ? TYR 9 A GLY 12 A A GLY 9 A 1 0.45 2 GLY 20 A . ? GLY 17 A PRO 21 A ? PRO 18 A 1 -2.45 3 PHE 116 A . ? PHE 113 A PRO 117 A ? PRO 114 A 1 -4.94 4 TYR 153 B . ? TYR 123 B PRO 154 B ? PRO 124 B 1 4.22 5 TYR 11 C . ? TYR 9 C GLY 12 C A GLY 9 C 1 -0.82 6 GLY 20 C . ? GLY 17 C PRO 21 C ? PRO 18 C 1 -7.85 7 PHE 116 C . ? PHE 113 C PRO 117 C ? PRO 114 C 1 -5.01 8 TYR 153 D . ? TYR 123 D PRO 154 D ? PRO 124 D 1 3.33 9 SER 8 E . ? SER 13 E PRO 9 E ? PRO 14 E 1 -3.09 10 THR 6 F . ? THR 7 F PRO 7 F ? PRO 8 F 1 -7.27 11 PHE 149 F . ? PHE 164 F PRO 150 F ? PRO 165 F 1 -4.00 12 SER 8 G . ? SER 13 G PRO 9 G ? PRO 14 G 1 -1.86 13 THR 6 H . ? THR 7 H PRO 7 H ? PRO 8 H 1 -4.44 14 PHE 149 H . ? PHE 164 H PRO 150 H ? PRO 165 H 1 -0.57 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 8 ? AA2 ? 2 ? AA3 ? 4 ? AA4 ? 4 ? AA5 ? 4 ? AA6 ? 4 ? AA7 ? 4 ? AA8 ? 4 ? AA9 ? 8 ? AB1 ? 2 ? AB2 ? 4 ? AB3 ? 4 ? AB4 ? 4 ? AB5 ? 4 ? AB6 ? 4 ? AB7 ? 4 ? AB8 ? 5 ? AB9 ? 5 ? AC1 ? 4 ? AC2 ? 4 ? AC3 ? 4 ? AC4 ? 2 ? AC5 ? 4 ? AC6 ? 6 ? AC7 ? 4 ? AC8 ? 4 ? AC9 ? 4 ? AD1 ? 4 ? AD2 ? 5 ? AD3 ? 5 ? AD4 ? 4 ? AD5 ? 4 ? AD6 ? 4 ? AD7 ? 4 ? AD8 ? 6 ? AD9 ? 4 ? AE1 ? 4 ? AE2 ? 4 ? AE3 ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA1 5 6 ? anti-parallel AA1 6 7 ? anti-parallel AA1 7 8 ? anti-parallel AA2 1 2 ? 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 AA7 2 3 ? anti-parallel AA7 3 4 ? anti-parallel AA8 1 2 ? anti-parallel AA8 2 3 ? anti-parallel AA8 3 4 ? anti-parallel AA9 1 2 ? anti-parallel AA9 2 3 ? anti-parallel AA9 3 4 ? anti-parallel AA9 4 5 ? anti-parallel AA9 5 6 ? anti-parallel AA9 6 7 ? anti-parallel AA9 7 8 ? anti-parallel AB1 1 2 ? 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 AB3 3 4 ? anti-parallel AB4 1 2 ? anti-parallel AB4 2 3 ? anti-parallel AB4 3 4 ? anti-parallel AB5 1 2 ? anti-parallel AB5 2 3 ? anti-parallel AB5 3 4 ? anti-parallel AB6 1 2 ? anti-parallel AB6 2 3 ? anti-parallel AB6 3 4 ? anti-parallel AB7 1 2 ? anti-parallel AB7 2 3 ? anti-parallel AB7 3 4 ? anti-parallel AB8 1 2 ? anti-parallel AB8 2 3 ? anti-parallel AB8 3 4 ? anti-parallel AB8 4 5 ? anti-parallel AB9 1 2 ? parallel AB9 2 3 ? anti-parallel AB9 3 4 ? anti-parallel AB9 4 5 ? anti-parallel AC1 1 2 ? parallel AC1 2 3 ? anti-parallel AC1 3 4 ? anti-parallel AC2 1 2 ? anti-parallel AC2 2 3 ? anti-parallel AC2 3 4 ? anti-parallel AC3 1 2 ? anti-parallel AC3 2 3 ? anti-parallel AC3 3 4 ? anti-parallel AC4 1 2 ? anti-parallel AC5 1 2 ? anti-parallel AC5 2 3 ? anti-parallel AC5 3 4 ? anti-parallel AC6 1 2 ? parallel AC6 2 3 ? anti-parallel AC6 3 4 ? anti-parallel AC6 4 5 ? anti-parallel AC6 5 6 ? anti-parallel AC7 1 2 ? parallel AC7 2 3 ? anti-parallel AC7 3 4 ? anti-parallel AC8 1 2 ? anti-parallel AC8 2 3 ? anti-parallel AC8 3 4 ? anti-parallel AC9 1 2 ? anti-parallel AC9 2 3 ? anti-parallel AC9 3 4 ? anti-parallel AD1 1 2 ? anti-parallel AD1 2 3 ? anti-parallel AD1 3 4 ? anti-parallel AD2 1 2 ? anti-parallel AD2 2 3 ? anti-parallel AD2 3 4 ? anti-parallel AD2 4 5 ? anti-parallel AD3 1 2 ? parallel AD3 2 3 ? anti-parallel AD3 3 4 ? anti-parallel AD3 4 5 ? anti-parallel AD4 1 2 ? parallel AD4 2 3 ? anti-parallel AD4 3 4 ? anti-parallel AD5 1 2 ? anti-parallel AD5 2 3 ? anti-parallel AD5 3 4 ? anti-parallel AD6 1 2 ? anti-parallel AD6 2 3 ? anti-parallel AD6 3 4 ? anti-parallel AD7 1 2 ? anti-parallel AD7 2 3 ? anti-parallel AD7 3 4 ? anti-parallel AD8 1 2 ? parallel AD8 2 3 ? anti-parallel AD8 3 4 ? anti-parallel AD8 4 5 ? anti-parallel AD8 5 6 ? anti-parallel AD9 1 2 ? parallel AD9 2 3 ? anti-parallel AD9 3 4 ? anti-parallel AE1 1 2 ? anti-parallel AE1 2 3 ? anti-parallel AE1 3 4 ? anti-parallel AE2 1 2 ? anti-parallel AE2 2 3 ? anti-parallel AE2 3 4 ? anti-parallel AE3 1 2 ? anti-parallel AE3 2 3 ? anti-parallel AE3 3 4 ? 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 GLU A 43 ? TRP A 46 ? GLU A 40 TRP A 43 AA1 2 ASP A 32 ? ASP A 38 ? ASP A 29 ASP A 35 AA1 3 SER A 22 ? PHE A 29 ? SER A 19 PHE A 26 AA1 4 HIS A 7 ? GLN A 17 ? HIS A 5 GLN A 14 AA1 5 VAL B 38 ? THR B 48 ? VAL B 8 THR B 18 AA1 6 ARG B 53 ? TYR B 62 ? ARG B 23 TYR B 32 AA1 7 GLU B 65 ? ASP B 71 ? GLU B 35 ASP B 41 AA1 8 TYR B 77 ? ALA B 79 ? TYR B 47 ALA B 49 AA2 1 ARG A 55 ? ARG A 56 ? ARG A 52 ARG A 53 AA2 2 SER J 3 ? GLY J 4 ? SER J -2 GLY J -1 AA3 1 GLU A 91 ? SER A 96 ? GLU A 88 SER A 93 AA3 2 ASN A 106 ? ILE A 115 ? ASN A 103 ILE A 112 AA3 3 PHE A 148 ? PHE A 156 ? PHE A 145 PHE A 153 AA3 4 VAL A 135 ? GLU A 137 ? VAL A 132 GLU A 134 AA4 1 GLU A 91 ? SER A 96 ? GLU A 88 SER A 93 AA4 2 ASN A 106 ? ILE A 115 ? ASN A 103 ILE A 112 AA4 3 PHE A 148 ? PHE A 156 ? PHE A 145 PHE A 153 AA4 4 LEU A 141 ? SER A 142 ? LEU A 138 SER A 139 AA5 1 HIS A 129 ? VAL A 131 ? HIS A 126 VAL A 128 AA5 2 ASN A 121 ? SER A 126 ? ASN A 118 SER A 123 AA5 3 TYR A 164 ? GLU A 169 ? TYR A 161 GLU A 166 AA5 4 LEU A 177 ? TRP A 181 ? LEU A 174 TRP A 178 AA6 1 THR B 128 ? SER B 132 ? THR B 98 SER B 102 AA6 2 LEU B 145 ? PHE B 152 ? LEU B 115 PHE B 122 AA6 3 PHE B 185 ? LEU B 191 ? PHE B 155 LEU B 161 AA6 4 VAL B 172 ? SER B 174 ? VAL B 142 SER B 144 AA7 1 THR B 128 ? SER B 132 ? THR B 98 SER B 102 AA7 2 LEU B 145 ? PHE B 152 ? LEU B 115 PHE B 122 AA7 3 PHE B 185 ? LEU B 191 ? PHE B 155 LEU B 161 AA7 4 ILE B 178 ? ARG B 179 ? ILE B 148 ARG B 149 AA8 1 GLN B 166 ? GLU B 167 ? GLN B 136 GLU B 137 AA8 2 LYS B 158 ? ARG B 163 ? LYS B 128 ARG B 133 AA8 3 VAL B 200 ? GLU B 206 ? VAL B 170 GLU B 176 AA8 4 ILE B 214 ? ARG B 219 ? ILE B 184 ARG B 189 AA9 1 GLU C 43 ? TRP C 46 ? GLU C 40 TRP C 43 AA9 2 ASP C 32 ? ASP C 38 ? ASP C 29 ASP C 35 AA9 3 SER C 22 ? PHE C 29 ? SER C 19 PHE C 26 AA9 4 HIS C 7 ? GLN C 17 ? HIS C 5 GLN C 14 AA9 5 VAL D 38 ? THR D 48 ? VAL D 8 THR D 18 AA9 6 ARG D 53 ? TYR D 62 ? ARG D 23 TYR D 32 AA9 7 GLU D 65 ? ASP D 71 ? GLU D 35 ASP D 41 AA9 8 TYR D 77 ? ALA D 79 ? TYR D 47 ALA D 49 AB1 1 ARG C 55 ? ARG C 56 ? ARG C 52 ARG C 53 AB1 2 SER I 3 ? GLY I 4 ? SER I -2 GLY I -1 AB2 1 GLU C 91 ? SER C 96 ? GLU C 88 SER C 93 AB2 2 ASN C 106 ? ILE C 115 ? ASN C 103 ILE C 112 AB2 3 PHE C 148 ? PHE C 156 ? PHE C 145 PHE C 153 AB2 4 VAL C 135 ? GLU C 137 ? VAL C 132 GLU C 134 AB3 1 GLU C 91 ? SER C 96 ? GLU C 88 SER C 93 AB3 2 ASN C 106 ? ILE C 115 ? ASN C 103 ILE C 112 AB3 3 PHE C 148 ? PHE C 156 ? PHE C 145 PHE C 153 AB3 4 LEU C 141 ? SER C 142 ? LEU C 138 SER C 139 AB4 1 HIS C 129 ? VAL C 131 ? HIS C 126 VAL C 128 AB4 2 ASN C 121 ? SER C 126 ? ASN C 118 SER C 123 AB4 3 TYR C 164 ? GLU C 169 ? TYR C 161 GLU C 166 AB4 4 LEU C 177 ? TRP C 181 ? LEU C 174 TRP C 178 AB5 1 THR D 128 ? SER D 132 ? THR D 98 SER D 102 AB5 2 LEU D 145 ? PHE D 152 ? LEU D 115 PHE D 122 AB5 3 PHE D 185 ? LEU D 191 ? PHE D 155 LEU D 161 AB5 4 VAL D 172 ? SER D 174 ? VAL D 142 SER D 144 AB6 1 THR D 128 ? SER D 132 ? THR D 98 SER D 102 AB6 2 LEU D 145 ? PHE D 152 ? LEU D 115 PHE D 122 AB6 3 PHE D 185 ? LEU D 191 ? PHE D 155 LEU D 161 AB6 4 ILE D 178 ? ARG D 179 ? ILE D 148 ARG D 149 AB7 1 GLN D 166 ? GLU D 167 ? GLN D 136 GLU D 137 AB7 2 LYS D 158 ? ARG D 163 ? LYS D 128 ARG D 133 AB7 3 TYR D 201 ? GLU D 206 ? TYR D 171 GLU D 176 AB7 4 ILE D 214 ? TRP D 218 ? ILE D 184 TRP D 188 AB8 1 VAL E 5 ? SER E 8 ? VAL E 10 SER E 13 AB8 2 SER E 20 ? TYR E 26 ? SER E 25 TYR E 31 AB8 3 GLU E 71 ? ILE E 76 ? GLU E 86 ILE E 91 AB8 4 LEU E 63 ? LEU E 67 ? LEU E 76 LEU E 80 AB8 5 GLU E 57 ? LYS E 60 ? GLU E 65 LYS E 68 AB9 1 ALA E 11 ? GLN E 15 ? ALA E 16 GLN E 20 AB9 2 THR E 107 ? LYS E 112 ? THR E 122 LYS E 127 AB9 3 ALA E 85 ? LEU E 93 ? ALA E 100 LEU E 108 AB9 4 LEU E 31 ? GLN E 39 ? LEU E 36 GLN E 44 AB9 5 GLU E 46 ? LEU E 51 ? GLU E 51 LEU E 56 AC1 1 ALA E 11 ? GLN E 15 ? ALA E 16 GLN E 20 AC1 2 THR E 107 ? LYS E 112 ? THR E 122 LYS E 127 AC1 3 ALA E 85 ? LEU E 93 ? ALA E 100 LEU E 108 AC1 4 THR E 102 ? PHE E 103 ? THR E 117 PHE E 118 AC2 1 ALA E 121 ? GLN E 124 ? ALA E 136 GLN E 139 AC2 2 SER E 134 ? PHE E 141 ? SER E 149 PHE E 156 AC2 3 PHE E 170 ? SER E 179 ? PHE E 185 SER E 194 AC2 4 VAL E 155 ? ILE E 157 ? VAL E 170 ILE E 172 AC3 1 ALA E 121 ? GLN E 124 ? ALA E 136 GLN E 139 AC3 2 SER E 134 ? PHE E 141 ? SER E 149 PHE E 156 AC3 3 PHE E 170 ? SER E 179 ? PHE E 185 SER E 194 AC3 4 CYS E 161 ? MET E 165 ? CYS E 176 MET E 180 AC4 1 ASN E 146 ? VAL E 147 ? ASN E 161 VAL E 162 AC4 2 ILE E 194 ? ILE E 195 ? ILE E 209 ILE E 210 AC5 1 THR F 4 ? THR F 6 ? THR F 5 THR F 7 AC5 2 VAL F 18 ? SER F 23 ? VAL F 19 SER F 24 AC5 3 SER F 73 ? LEU F 77 ? SER F 87 LEU F 91 AC5 4 PHE F 63 ? GLN F 67 ? PHE F 76 GLN F 80 AC6 1 HIS F 9 ? ALA F 13 ? HIS F 10 ALA F 14 AC6 2 THR F 107 ? LEU F 112 ? THR F 122 LEU F 127 AC6 3 ALA F 86 ? SER F 93 ? ALA F 100 SER F 107 AC6 4 SER F 30 ? SER F 37 ? SER F 38 SER F 45 AC6 5 GLY F 41 ? TYR F 49 ? GLY F 49 TYR F 57 AC6 6 GLU F 52 ? LYS F 56 ? GLU F 64 LYS F 68 AC7 1 HIS F 9 ? ALA F 13 ? HIS F 10 ALA F 14 AC7 2 THR F 107 ? LEU F 112 ? THR F 122 LEU F 127 AC7 3 ALA F 86 ? SER F 93 ? ALA F 100 SER F 107 AC7 4 TYR F 102 ? PHE F 103 ? TYR F 117 PHE F 118 AC8 1 GLU F 122 ? PHE F 126 ? GLU F 137 PHE F 141 AC8 2 LYS F 138 ? PHE F 148 ? LYS F 153 PHE F 163 AC8 3 TYR F 186 ? SER F 195 ? TYR F 201 SER F 210 AC8 4 VAL F 168 ? THR F 170 ? VAL F 183 THR F 185 AC9 1 GLU F 122 ? PHE F 126 ? GLU F 137 PHE F 141 AC9 2 LYS F 138 ? PHE F 148 ? LYS F 153 PHE F 163 AC9 3 TYR F 186 ? SER F 195 ? TYR F 201 SER F 210 AC9 4 LEU F 175 ? LYS F 176 ? LEU F 190 LYS F 191 AD1 1 LYS F 162 ? VAL F 164 ? LYS F 177 VAL F 179 AD1 2 VAL F 153 ? VAL F 159 ? VAL F 168 VAL F 174 AD1 3 HIS F 205 ? PHE F 212 ? HIS F 220 PHE F 227 AD1 4 GLN F 231 ? TRP F 238 ? GLN F 246 TRP F 253 AD2 1 VAL G 5 ? SER G 8 ? VAL G 10 SER G 13 AD2 2 SER G 20 ? TYR G 26 ? SER G 25 TYR G 31 AD2 3 GLU G 71 ? ILE G 76 ? GLU G 86 ILE G 91 AD2 4 LEU G 63 ? LEU G 67 ? LEU G 76 LEU G 80 AD2 5 GLU G 57 ? LYS G 60 ? GLU G 65 LYS G 68 AD3 1 ALA G 11 ? GLN G 15 ? ALA G 16 GLN G 20 AD3 2 THR G 107 ? LYS G 112 ? THR G 122 LYS G 127 AD3 3 ALA G 85 ? LEU G 93 ? ALA G 100 LEU G 108 AD3 4 LEU G 31 ? GLN G 39 ? LEU G 36 GLN G 44 AD3 5 GLU G 46 ? LEU G 51 ? GLU G 51 LEU G 56 AD4 1 ALA G 11 ? GLN G 15 ? ALA G 16 GLN G 20 AD4 2 THR G 107 ? LYS G 112 ? THR G 122 LYS G 127 AD4 3 ALA G 85 ? LEU G 93 ? ALA G 100 LEU G 108 AD4 4 THR G 102 ? PHE G 103 ? THR G 117 PHE G 118 AD5 1 ALA G 121 ? GLN G 124 ? ALA G 136 GLN G 139 AD5 2 SER G 134 ? THR G 139 ? SER G 149 THR G 154 AD5 3 PHE G 170 ? SER G 179 ? PHE G 185 SER G 194 AD5 4 TYR G 156 ? ILE G 157 ? TYR G 171 ILE G 172 AD6 1 ALA G 121 ? GLN G 124 ? ALA G 136 GLN G 139 AD6 2 SER G 134 ? THR G 139 ? SER G 149 THR G 154 AD6 3 PHE G 170 ? SER G 179 ? PHE G 185 SER G 194 AD6 4 CYS G 161 ? MET G 165 ? CYS G 176 MET G 180 AD7 1 THR H 4 ? THR H 6 ? THR H 5 THR H 7 AD7 2 VAL H 18 ? SER H 23 ? VAL H 19 SER H 24 AD7 3 SER H 73 ? LEU H 77 ? SER H 87 LEU H 91 AD7 4 PHE H 63 ? GLN H 67 ? PHE H 76 GLN H 80 AD8 1 HIS H 9 ? ALA H 13 ? HIS H 10 ALA H 14 AD8 2 THR H 107 ? LEU H 112 ? THR H 122 LEU H 127 AD8 3 ALA H 86 ? SER H 93 ? ALA H 100 SER H 107 AD8 4 SER H 30 ? SER H 37 ? SER H 38 SER H 45 AD8 5 GLY H 41 ? TYR H 49 ? GLY H 49 TYR H 57 AD8 6 GLU H 52 ? LYS H 56 ? GLU H 64 LYS H 68 AD9 1 HIS H 9 ? ALA H 13 ? HIS H 10 ALA H 14 AD9 2 THR H 107 ? LEU H 112 ? THR H 122 LEU H 127 AD9 3 ALA H 86 ? SER H 93 ? ALA H 100 SER H 107 AD9 4 TYR H 102 ? PHE H 103 ? TYR H 117 PHE H 118 AE1 1 GLU H 122 ? PHE H 126 ? GLU H 137 PHE H 141 AE1 2 LYS H 138 ? PHE H 148 ? LYS H 153 PHE H 163 AE1 3 TYR H 186 ? SER H 195 ? TYR H 201 SER H 210 AE1 4 VAL H 168 ? THR H 170 ? VAL H 183 THR H 185 AE2 1 GLU H 122 ? PHE H 126 ? GLU H 137 PHE H 141 AE2 2 LYS H 138 ? PHE H 148 ? LYS H 153 PHE H 163 AE2 3 TYR H 186 ? SER H 195 ? TYR H 201 SER H 210 AE2 4 LEU H 175 ? LYS H 176 ? LEU H 190 LYS H 191 AE3 1 LYS H 162 ? VAL H 164 ? LYS H 177 VAL H 179 AE3 2 VAL H 153 ? VAL H 159 ? VAL H 168 VAL H 174 AE3 3 HIS H 205 ? PHE H 212 ? HIS H 220 PHE H 227 AE3 4 GLN H 231 ? TRP H 238 ? GLN H 246 TRP H 253 # 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 O GLU A 43 ? O GLU A 40 N ASP A 38 ? N ASP A 35 AA1 2 3 O GLU A 34 ? O GLU A 31 N HIS A 27 ? N HIS A 24 AA1 3 4 O SER A 26 ? O SER A 23 N VAL A 13 ? N VAL A 10 AA1 4 5 N TYR A 11 ? N TYR A 9 O GLY B 43 ? O GLY B 13 AA1 5 6 N TYR B 46 ? N TYR B 16 O ARG B 55 ? O ARG B 25 AA1 6 7 N TYR B 62 ? N TYR B 32 O GLU B 65 ? O GLU B 35 AA1 7 8 N ARG B 69 ? N ARG B 39 O ARG B 78 ? O ARG B 48 AA2 1 2 N ARG A 56 ? N ARG A 53 O SER J 3 ? O SER J -2 AA3 1 2 N PHE A 95 ? N PHE A 92 O ILE A 109 ? O ILE A 106 AA3 2 3 N ILE A 115 ? N ILE A 112 O PHE A 148 ? O PHE A 145 AA3 3 4 O TYR A 153 ? O TYR A 150 N SER A 136 ? N SER A 133 AA4 1 2 N PHE A 95 ? N PHE A 92 O ILE A 109 ? O ILE A 106 AA4 2 3 N ILE A 115 ? N ILE A 112 O PHE A 148 ? O PHE A 145 AA4 3 4 O PHE A 149 ? O PHE A 146 N LEU A 141 ? N LEU A 138 AA5 1 2 O HIS A 129 ? O HIS A 126 N SER A 126 ? N SER A 123 AA5 2 3 N THR A 123 ? N THR A 120 O LYS A 167 ? O LYS A 164 AA5 3 4 N TYR A 164 ? N TYR A 161 O TRP A 181 ? O TRP A 178 AA6 1 2 N THR B 128 ? N THR B 98 O THR B 150 ? O THR B 120 AA6 2 3 N VAL B 149 ? N VAL B 119 O ILE B 187 ? O ILE B 157 AA6 3 4 O MET B 190 ? O MET B 160 N VAL B 173 ? N VAL B 143 AA7 1 2 N THR B 128 ? N THR B 98 O THR B 150 ? O THR B 120 AA7 2 3 N VAL B 149 ? N VAL B 119 O ILE B 187 ? O ILE B 157 AA7 3 4 O GLN B 186 ? O GLN B 156 N ILE B 178 ? N ILE B 148 AA8 1 2 O GLN B 166 ? O GLN B 136 N ARG B 163 ? N ARG B 133 AA8 2 3 N ARG B 160 ? N ARG B 130 O HIS B 204 ? O HIS B 174 AA8 3 4 N CYS B 203 ? N CYS B 173 O VAL B 216 ? O VAL B 186 AA9 1 2 O VAL C 45 ? O VAL C 42 N TYR C 36 ? N TYR C 33 AA9 2 3 O GLU C 34 ? O GLU C 31 N HIS C 27 ? N HIS C 24 AA9 3 4 O SER C 22 ? O SER C 19 N GLN C 17 ? N GLN C 14 AA9 4 5 N TYR C 16 ? N TYR C 13 O TYR D 39 ? O TYR D 9 AA9 5 6 N TYR D 46 ? N TYR D 16 O ARG D 55 ? O ARG D 25 AA9 6 7 N TYR D 62 ? N TYR D 32 O GLU D 65 ? O GLU D 35 AA9 7 8 N ARG D 69 ? N ARG D 39 O ARG D 78 ? O ARG D 48 AB1 1 2 N ARG C 56 ? N ARG C 53 O SER I 3 ? O SER I -2 AB2 1 2 N PHE C 95 ? N PHE C 92 O ILE C 109 ? O ILE C 106 AB2 2 3 N ASN C 106 ? N ASN C 103 O PHE C 156 ? O PHE C 153 AB2 3 4 O TYR C 153 ? O TYR C 150 N SER C 136 ? N SER C 133 AB3 1 2 N PHE C 95 ? N PHE C 92 O ILE C 109 ? O ILE C 106 AB3 2 3 N ASN C 106 ? N ASN C 103 O PHE C 156 ? O PHE C 153 AB3 3 4 O PHE C 149 ? O PHE C 146 N LEU C 141 ? N LEU C 138 AB4 1 2 O HIS C 129 ? O HIS C 126 N SER C 126 ? N SER C 123 AB4 2 3 N THR C 123 ? N THR C 120 O LYS C 167 ? O LYS C 164 AB4 3 4 N VAL C 168 ? N VAL C 165 O LEU C 177 ? O LEU C 174 AB5 1 2 N THR D 130 ? N THR D 100 O SER D 148 ? O SER D 118 AB5 2 3 N LEU D 145 ? N LEU D 115 O LEU D 191 ? O LEU D 161 AB5 3 4 O MET D 190 ? O MET D 160 N VAL D 173 ? N VAL D 143 AB6 1 2 N THR D 130 ? N THR D 100 O SER D 148 ? O SER D 118 AB6 2 3 N LEU D 145 ? N LEU D 115 O LEU D 191 ? O LEU D 161 AB6 3 4 O GLN D 186 ? O GLN D 156 N ILE D 178 ? N ILE D 148 AB7 1 2 O GLN D 166 ? O GLN D 136 N ARG D 163 ? N ARG D 133 AB7 2 3 N PHE D 162 ? N PHE D 132 O THR D 202 ? O THR D 172 AB7 3 4 N CYS D 203 ? N CYS D 173 O VAL D 216 ? O VAL D 186 AB8 1 2 N THR E 6 ? N THR E 11 O SER E 25 ? O SER E 30 AB8 2 3 N SER E 20 ? N SER E 25 O ILE E 76 ? O ILE E 91 AB8 3 4 O HIS E 75 ? O HIS E 90 N LYS E 64 ? N LYS E 77 AB8 4 5 O ALA E 65 ? O ALA E 78 N LYS E 58 ? N LYS E 66 AB9 1 2 N LEU E 12 ? N LEU E 17 O MET E 110 ? O MET E 125 AB9 2 3 O LEU E 109 ? O LEU E 124 N ALA E 85 ? N ALA E 100 AB9 3 4 O ALA E 90 ? O ALA E 105 N PHE E 35 ? N PHE E 40 AB9 4 5 N ARG E 38 ? N ARG E 43 O GLU E 46 ? O GLU E 51 AC1 1 2 N LEU E 12 ? N LEU E 17 O MET E 110 ? O MET E 125 AC1 2 3 O LEU E 109 ? O LEU E 124 N ALA E 85 ? N ALA E 100 AC1 3 4 N VAL E 91 ? N VAL E 106 O THR E 102 ? O THR E 117 AC2 1 2 N TYR E 123 ? N TYR E 138 O LEU E 137 ? O LEU E 152 AC2 2 3 N CYS E 136 ? N CYS E 151 O ALA E 177 ? O ALA E 192 AC2 3 4 O TRP E 178 ? O TRP E 193 N TYR E 156 ? N TYR E 171 AC3 1 2 N TYR E 123 ? N TYR E 138 O LEU E 137 ? O LEU E 152 AC3 2 3 N CYS E 136 ? N CYS E 151 O ALA E 177 ? O ALA E 192 AC3 3 4 O PHE E 170 ? O PHE E 185 N MET E 165 ? N MET E 180 AC4 1 2 N ASN E 146 ? N ASN E 161 O ILE E 195 ? O ILE E 210 AC5 1 2 N THR F 6 ? N THR F 7 O ARG F 21 ? O ARG F 22 AC5 2 3 N VAL F 18 ? N VAL F 19 O LEU F 77 ? O LEU F 91 AC5 3 4 O ASN F 76 ? O ASN F 90 N SER F 64 ? N SER F 77 AC6 1 2 N THR F 12 ? N THR F 13 O THR F 110 ? O THR F 125 AC6 2 3 O LEU F 109 ? O LEU F 124 N ALA F 86 ? N ALA F 100 AC6 3 4 O LEU F 87 ? O LEU F 101 N GLN F 36 ? N GLN F 44 AC6 4 5 N GLN F 35 ? N GLN F 43 O GLN F 43 ? O GLN F 51 AC6 5 6 N GLN F 47 ? N GLN F 55 O ALA F 55 ? O ALA F 67 AC7 1 2 N THR F 12 ? N THR F 13 O THR F 110 ? O THR F 125 AC7 2 3 O LEU F 109 ? O LEU F 124 N ALA F 86 ? N ALA F 100 AC7 3 4 N SER F 92 ? N SER F 106 O TYR F 102 ? O TYR F 117 AC8 1 2 N GLU F 122 ? N GLU F 137 O THR F 146 ? O THR F 161 AC8 2 3 N LEU F 141 ? N LEU F 156 O LEU F 192 ? O LEU F 207 AC8 3 4 O ARG F 191 ? O ARG F 206 N CYS F 169 ? N CYS F 184 AC9 1 2 N GLU F 122 ? N GLU F 137 O THR F 146 ? O THR F 161 AC9 2 3 N LEU F 141 ? N LEU F 156 O LEU F 192 ? O LEU F 207 AC9 3 4 O ALA F 187 ? O ALA F 202 N LEU F 175 ? N LEU F 190 AD1 1 2 O LYS F 162 ? O LYS F 177 N VAL F 159 ? N VAL F 174 AD1 2 3 N SER F 156 ? N SER F 171 O GLN F 209 ? O GLN F 224 AD1 3 4 N PHE F 212 ? N PHE F 227 O GLN F 231 ? O GLN F 246 AD2 1 2 N THR G 6 ? N THR G 11 O SER G 25 ? O SER G 30 AD2 2 3 N LEU G 22 ? N LEU G 27 O LEU G 74 ? O LEU G 89 AD2 3 4 O HIS G 75 ? O HIS G 90 N LYS G 64 ? N LYS G 77 AD2 4 5 O ALA G 65 ? O ALA G 78 N LYS G 58 ? N LYS G 66 AD3 1 2 N LEU G 12 ? N LEU G 17 O ARG G 108 ? O ARG G 123 AD3 2 3 O LEU G 109 ? O LEU G 124 N ALA G 85 ? N ALA G 100 AD3 3 4 O ALA G 90 ? O ALA G 105 N PHE G 35 ? N PHE G 40 AD3 4 5 N ARG G 38 ? N ARG G 43 O GLU G 46 ? O GLU G 51 AD4 1 2 N LEU G 12 ? N LEU G 17 O ARG G 108 ? O ARG G 123 AD4 2 3 O LEU G 109 ? O LEU G 124 N ALA G 85 ? N ALA G 100 AD4 3 4 N VAL G 91 ? N VAL G 106 O THR G 102 ? O THR G 117 AD5 1 2 N TYR G 123 ? N TYR G 138 O LEU G 137 ? O LEU G 152 AD5 2 3 N CYS G 136 ? N CYS G 151 O ALA G 177 ? O ALA G 192 AD5 3 4 O TRP G 178 ? O TRP G 193 N TYR G 156 ? N TYR G 171 AD6 1 2 N TYR G 123 ? N TYR G 138 O LEU G 137 ? O LEU G 152 AD6 2 3 N CYS G 136 ? N CYS G 151 O ALA G 177 ? O ALA G 192 AD6 3 4 O PHE G 170 ? O PHE G 185 N MET G 165 ? N MET G 180 AD7 1 2 N THR H 6 ? N THR H 7 O ARG H 21 ? O ARG H 22 AD7 2 3 N LEU H 20 ? N LEU H 21 O LEU H 75 ? O LEU H 89 AD7 3 4 O ASN H 76 ? O ASN H 90 N SER H 64 ? N SER H 77 AD8 1 2 N LEU H 10 ? N LEU H 11 O THR H 110 ? O THR H 125 AD8 2 3 O LEU H 109 ? O LEU H 124 N ALA H 86 ? N ALA H 100 AD8 3 4 O LEU H 87 ? O LEU H 101 N GLN H 36 ? N GLN H 44 AD8 4 5 N TRP H 33 ? N TRP H 41 O LEU H 45 ? O LEU H 53 AD8 5 6 N GLN H 47 ? N GLN H 55 O ARG H 54 ? O ARG H 66 AD9 1 2 N LEU H 10 ? N LEU H 11 O THR H 110 ? O THR H 125 AD9 2 3 O LEU H 109 ? O LEU H 124 N ALA H 86 ? N ALA H 100 AD9 3 4 N SER H 92 ? N SER H 106 O TYR H 102 ? O TYR H 117 AE1 1 2 N PHE H 126 ? N PHE H 141 O VAL H 142 ? O VAL H 157 AE1 2 3 N PHE H 148 ? N PHE H 163 O TYR H 186 ? O TYR H 201 AE1 3 4 O ARG H 191 ? O ARG H 206 N CYS H 169 ? N CYS H 184 AE2 1 2 N PHE H 126 ? N PHE H 141 O VAL H 142 ? O VAL H 157 AE2 2 3 N PHE H 148 ? N PHE H 163 O TYR H 186 ? O TYR H 201 AE2 3 4 O ALA H 187 ? O ALA H 202 N LEU H 175 ? N LEU H 190 AE3 1 2 O LYS H 162 ? O LYS H 177 N VAL H 159 ? N VAL H 174 AE3 2 3 N SER H 156 ? N SER H 171 O GLN H 209 ? O GLN H 224 AE3 3 4 N PHE H 212 ? N PHE H 227 O GLN H 231 ? O GLN H 246 # 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 CA 302 ? 2 'binding site for residue CA A 302' AC2 Software C CA 302 ? 2 'binding site for residue CA C 302' AC3 Software E CA 301 ? 2 'binding site for residue CA E 301' AC4 Software G CA 301 ? 3 'binding site for residue CA G 301' AC5 Software A NAG 301 ? 3 'binding site for Mono-Saccharide NAG A 301 bound to ASN A 118' AC6 Software B NAG 1000 ? 2 'binding site for Mono-Saccharide NAG B 1000 bound to ASN B 19' AC7 Software C NAG 301 ? 2 'binding site for Mono-Saccharide NAG C 301 bound to ASN C 118' AC8 Software D NAG 1000 ? 2 'binding site for Mono-Saccharide NAG D 1000 bound to ASN D 19' # 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 2 GLN A 47 ? GLN A 44 . ? 1_555 ? 2 AC1 2 HOH S . ? HOH A 450 . ? 1_555 ? 3 AC2 2 GLN C 47 ? GLN C 44 . ? 1_555 ? 4 AC2 2 GLU C 137 ? GLU C 134 . ? 1_555 ? 5 AC3 2 GLN E 149 ? GLN E 164 . ? 1_555 ? 6 AC3 2 ASP E 159 ? ASP E 174 . ? 1_555 ? 7 AC4 3 GLN G 149 ? GLN G 164 . ? 1_555 ? 8 AC4 3 ASP G 159 ? ASP G 174 . ? 1_555 ? 9 AC4 3 HOH Y . ? HOH G 408 . ? 1_555 ? 10 AC5 3 ASN A 121 ? ASN A 118 . ? 1_555 ? 11 AC5 3 GLU A 169 ? GLU A 166 . ? 1_555 ? 12 AC5 3 TRP A 171 ? TRP A 168 . ? 1_555 ? 13 AC6 2 ASN B 49 ? ASN B 19 . ? 1_555 ? 14 AC6 2 GLU B 52 ? GLU B 22 . ? 1_555 ? 15 AC7 2 ASN C 121 ? ASN C 118 . ? 1_555 ? 16 AC7 2 GLU C 169 ? GLU C 166 . ? 1_555 ? 17 AC8 2 ASN D 49 ? ASN D 19 . ? 1_555 ? 18 AC8 2 GLU D 52 ? GLU D 22 . ? 1_555 ? # _atom_sites.entry_id 5KS9 _atom_sites.fract_transf_matrix[1][1] 0.013412 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000649 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.017584 _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] 0.004314 _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 CA 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 . ASP A 1 2 ? 3.528 -42.966 22.887 1.00 54.33 ? 0 ASP A N 1 ATOM 2 C CA . ASP A 1 2 ? 4.703 -42.542 23.655 1.00 53.66 ? 0 ASP A CA 1 ATOM 3 C C . ASP A 1 2 ? 5.889 -43.488 23.420 1.00 55.28 ? 0 ASP A C 1 ATOM 4 O O . ASP A 1 2 ? 5.732 -44.713 23.489 1.00 55.78 ? 0 ASP A O 1 ATOM 5 C CB . ASP A 1 2 ? 4.381 -42.457 25.160 1.00 56.38 ? 0 ASP A CB 1 ATOM 6 C CG . ASP A 1 2 ? 3.404 -41.361 25.535 1.00 68.15 ? 0 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 2 ? 3.690 -40.174 25.225 1.00 68.02 -1 0 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 2 ? 2.377 -41.678 26.185 1.00 74.97 ? 0 ASP A OD2 1 ATOM 9 N N . ILE A 1 3 ? 7.077 -42.915 23.149 1.00 48.65 ? 1 ILE A N 1 ATOM 10 C CA . ILE A 1 3 ? 8.277 -43.705 22.872 1.00 47.03 ? 1 ILE A CA 1 ATOM 11 C C . ILE A 1 3 ? 9.247 -43.640 24.068 1.00 47.68 ? 1 ILE A C 1 ATOM 12 O O . ILE A 1 3 ? 9.603 -42.547 24.520 1.00 46.09 ? 1 ILE A O 1 ATOM 13 C CB . ILE A 1 3 ? 8.944 -43.256 21.541 1.00 49.34 ? 1 ILE A CB 1 ATOM 14 C CG1 . ILE A 1 3 ? 7.960 -43.375 20.352 1.00 49.48 ? 1 ILE A CG1 1 ATOM 15 C CG2 . ILE A 1 3 ? 10.224 -44.054 21.265 1.00 50.29 ? 1 ILE A CG2 1 ATOM 16 C CD1 . ILE A 1 3 ? 8.110 -42.339 19.313 1.00 53.33 ? 1 ILE A CD1 1 ATOM 17 N N . VAL A 1 4 ? 9.671 -44.827 24.564 1.00 42.77 ? 2 VAL A N 1 ATOM 18 C CA . VAL A 1 4 ? 10.619 -44.951 25.676 1.00 41.53 ? 2 VAL A CA 1 ATOM 19 C C . VAL A 1 4 ? 12.061 -44.915 25.113 1.00 42.04 ? 2 VAL A C 1 ATOM 20 O O . VAL A 1 4 ? 12.455 -45.773 24.318 1.00 42.35 ? 2 VAL A O 1 ATOM 21 C CB . VAL A 1 4 ? 10.353 -46.170 26.623 1.00 46.25 ? 2 VAL A CB 1 ATOM 22 C CG1 . VAL A 1 4 ? 10.257 -47.502 25.871 1.00 46.88 ? 2 VAL A CG1 1 ATOM 23 C CG2 . VAL A 1 4 ? 11.380 -46.244 27.750 1.00 46.06 ? 2 VAL A CG2 1 ATOM 24 N N . ALA A 1 5 ? 12.816 -43.882 25.510 1.00 35.28 ? 3 ALA A N 1 ATOM 25 C CA . ALA A 1 5 ? 14.205 -43.673 25.103 1.00 33.90 ? 3 ALA A CA 1 ATOM 26 C C . ALA A 1 5 ? 15.003 -43.093 26.256 1.00 34.84 ? 3 ALA A C 1 ATOM 27 O O . ALA A 1 5 ? 14.423 -42.433 27.122 1.00 33.76 ? 3 ALA A O 1 ATOM 28 C CB . ALA A 1 5 ? 14.272 -42.737 23.895 1.00 34.04 ? 3 ALA A CB 1 ATOM 29 N N . ASP A 1 6 ? 16.334 -43.312 26.258 1.00 29.74 ? 4 ASP A N 1 ATOM 30 C CA . ASP A 1 6 ? 17.222 -42.751 27.277 1.00 28.56 ? 4 ASP A CA 1 ATOM 31 C C . ASP A 1 6 ? 17.359 -41.249 27.053 1.00 29.73 ? 4 ASP A C 1 ATOM 32 O O . ASP A 1 6 ? 17.447 -40.487 28.017 1.00 29.42 ? 4 ASP A O 1 ATOM 33 C CB . ASP A 1 6 ? 18.601 -43.435 27.251 1.00 31.00 ? 4 ASP A CB 1 ATOM 34 C CG . ASP A 1 6 ? 18.590 -44.944 27.445 1.00 44.48 ? 4 ASP A CG 1 ATOM 35 O OD1 . ASP A 1 6 ? 17.490 -45.520 27.598 1.00 46.18 ? 4 ASP A OD1 1 ATOM 36 O OD2 . ASP A 1 6 ? 19.682 -45.551 27.422 1.00 51.09 -1 4 ASP A OD2 1 ATOM 37 N N . HIS A 1 7 ? 17.360 -40.828 25.777 1.00 24.41 ? 5 HIS A N 1 ATOM 38 C CA . HIS A 1 7 ? 17.470 -39.430 25.387 1.00 23.08 ? 5 HIS A CA 1 ATOM 39 C C . HIS A 1 7 ? 16.513 -39.098 24.250 1.00 27.09 ? 5 HIS A C 1 ATOM 40 O O . HIS A 1 7 ? 16.407 -39.863 23.294 1.00 28.13 ? 5 HIS A O 1 ATOM 41 C CB . HIS A 1 7 ? 18.909 -39.085 24.974 1.00 23.59 ? 5 HIS A CB 1 ATOM 42 C CG . HIS A 1 7 ? 19.925 -39.331 26.049 1.00 27.21 ? 5 HIS A CG 1 ATOM 43 N ND1 . HIS A 1 7 ? 19.888 -38.646 27.250 1.00 28.90 ? 5 HIS A ND1 1 ATOM 44 C CD2 . HIS A 1 7 ? 20.976 -40.184 26.066 1.00 29.31 ? 5 HIS A CD2 1 ATOM 45 C CE1 . HIS A 1 7 ? 20.918 -39.095 27.951 1.00 28.66 ? 5 HIS A CE1 1 ATOM 46 N NE2 . HIS A 1 7 ? 21.602 -40.019 27.278 1.00 29.32 ? 5 HIS A NE2 1 ATOM 47 N N . VAL A 1 8 ? 15.804 -37.962 24.361 1.00 22.06 ? 6 VAL A N 1 ATOM 48 C CA . VAL A 1 8 ? 14.892 -37.491 23.318 1.00 21.05 ? 6 VAL A CA 1 ATOM 49 C C . VAL A 1 8 ? 15.348 -36.106 22.865 1.00 22.73 ? 6 VAL A C 1 ATOM 50 O O . VAL A 1 8 ? 15.549 -35.207 23.683 1.00 22.12 ? 6 VAL A O 1 ATOM 51 C CB . VAL A 1 8 ? 13.391 -37.508 23.699 1.00 25.26 ? 6 VAL A CB 1 ATOM 52 C CG1 . VAL A 1 8 ? 12.526 -37.101 22.500 1.00 24.86 ? 6 VAL A CG1 1 ATOM 53 C CG2 . VAL A 1 8 ? 12.968 -38.886 24.211 1.00 25.51 ? 6 VAL A CG2 1 ATOM 54 N N . ALA A 1 9 ? 15.521 -35.952 21.555 1.00 17.77 ? 7 ALA A N 1 ATOM 55 C CA . ALA A 1 9 ? 15.974 -34.709 20.956 1.00 16.70 ? 7 ALA A CA 1 ATOM 56 C C . ALA A 1 9 ? 15.089 -34.271 19.800 1.00 19.92 ? 7 ALA A C 1 ATOM 57 O O . ALA A 1 9 ? 14.457 -35.104 19.143 1.00 20.30 ? 7 ALA A O 1 ATOM 58 C CB . ALA A 1 9 ? 17.395 -34.874 20.467 1.00 17.24 ? 7 ALA A CB 1 ATOM 59 N N . SER A 1 10 ? 15.058 -32.955 19.561 1.00 14.72 ? 8 SER A N 1 ATOM 60 C CA . SER A 1 10 ? 14.366 -32.347 18.441 1.00 13.78 ? 8 SER A CA 1 ATOM 61 C C . SER A 1 10 ? 15.362 -31.514 17.657 1.00 18.34 ? 8 SER A C 1 ATOM 62 O O . SER A 1 10 ? 15.917 -30.557 18.192 1.00 18.19 ? 8 SER A O 1 ATOM 63 C CB . SER A 1 10 ? 13.188 -31.503 18.915 1.00 15.54 ? 8 SER A CB 1 ATOM 64 O OG . SER A 1 10 ? 12.151 -32.336 19.392 1.00 18.21 ? 8 SER A OG 1 ATOM 65 N N . TYR A 1 11 ? 15.626 -31.903 16.402 1.00 15.05 ? 9 TYR A N 1 ATOM 66 C CA . TYR A 1 11 ? 16.547 -31.189 15.523 1.00 15.05 ? 9 TYR A CA 1 ATOM 67 C C . TYR A 1 11 ? 15.859 -30.779 14.204 1.00 20.73 ? 9 TYR A C 1 ATOM 68 O O . TYR A 1 11 ? 16.217 -31.292 13.139 1.00 21.19 ? 9 TYR A O 1 ATOM 69 C CB . TYR A 1 11 ? 17.790 -32.028 15.219 1.00 15.96 ? 9 TYR A CB 1 ATOM 70 C CG . TYR A 1 11 ? 18.477 -32.683 16.397 1.00 16.53 ? 9 TYR A CG 1 ATOM 71 C CD1 . TYR A 1 11 ? 19.000 -31.918 17.439 1.00 18.04 ? 9 TYR A CD1 1 ATOM 72 C CD2 . TYR A 1 11 ? 18.743 -34.050 16.396 1.00 16.86 ? 9 TYR A CD2 1 ATOM 73 C CE1 . TYR A 1 11 ? 19.717 -32.509 18.479 1.00 17.24 ? 9 TYR A CE1 1 ATOM 74 C CE2 . TYR A 1 11 ? 19.451 -34.651 17.431 1.00 17.58 ? 9 TYR A CE2 1 ATOM 75 C CZ . TYR A 1 11 ? 19.959 -33.873 18.457 1.00 23.10 ? 9 TYR A CZ 1 ATOM 76 O OH . TYR A 1 11 ? 20.636 -34.488 19.481 1.00 21.47 ? 9 TYR A OH 1 ATOM 77 N N . GLY A 1 12 A 14.901 -29.855 14.253 1.00 16.82 ? 9 GLY A N 1 ATOM 78 C CA . GLY A 1 12 A 14.436 -29.174 15.449 1.00 16.43 ? 9 GLY A CA 1 ATOM 79 C C . GLY A 1 12 A 12.937 -29.026 15.557 1.00 19.23 ? 9 GLY A C 1 ATOM 80 O O . GLY A 1 12 A 12.170 -29.802 14.979 1.00 18.84 ? 9 GLY A O 1 ATOM 81 N N . VAL A 1 13 ? 12.531 -28.059 16.382 1.00 14.50 ? 10 VAL A N 1 ATOM 82 C CA . VAL A 1 13 ? 11.146 -27.670 16.585 1.00 13.55 ? 10 VAL A CA 1 ATOM 83 C C . VAL A 1 13 ? 10.934 -26.552 15.584 1.00 17.60 ? 10 VAL A C 1 ATOM 84 O O . VAL A 1 13 ? 11.635 -25.538 15.635 1.00 16.90 ? 10 VAL A O 1 ATOM 85 C CB . VAL A 1 13 ? 10.803 -27.249 18.053 1.00 16.46 ? 10 VAL A CB 1 ATOM 86 C CG1 . VAL A 1 13 ? 9.337 -26.822 18.168 1.00 16.15 ? 10 VAL A CG1 1 ATOM 87 C CG2 . VAL A 1 13 ? 11.109 -28.361 19.046 1.00 15.79 ? 10 VAL A CG2 1 ATOM 88 N N . ASN A 1 14 ? 10.058 -26.782 14.618 1.00 14.13 ? 11 ASN A N 1 ATOM 89 C CA . ASN A 1 14 ? 9.769 -25.802 13.574 1.00 14.13 ? 11 ASN A CA 1 ATOM 90 C C . ASN A 1 14 ? 8.353 -25.324 13.769 1.00 18.15 ? 11 ASN A C 1 ATOM 91 O O . ASN A 1 14 ? 7.424 -26.133 13.845 1.00 18.33 ? 11 ASN A O 1 ATOM 92 C CB . ASN A 1 14 ? 9.975 -26.394 12.181 1.00 14.62 ? 11 ASN A CB 1 ATOM 93 C CG . ASN A 1 14 ? 11.382 -26.827 11.849 1.00 23.96 ? 11 ASN A CG 1 ATOM 94 O OD1 . ASN A 1 14 ? 12.009 -26.270 10.960 1.00 16.81 ? 11 ASN A OD1 1 ATOM 95 N ND2 . ASN A 1 14 ? 11.862 -27.910 12.453 1.00 16.29 ? 11 ASN A ND2 1 ATOM 96 N N . LEU A 1 15 ? 8.201 -24.011 13.918 1.00 14.40 ? 12 LEU A N 1 ATOM 97 C CA . LEU A 1 15 ? 6.920 -23.387 14.164 1.00 14.49 ? 12 LEU A CA 1 ATOM 98 C C . LEU A 1 15 ? 6.709 -22.216 13.216 1.00 17.61 ? 12 LEU A C 1 ATOM 99 O O . LEU A 1 15 ? 7.635 -21.454 12.950 1.00 17.23 ? 12 LEU A O 1 ATOM 100 C CB . LEU A 1 15 ? 6.905 -22.934 15.643 1.00 14.92 ? 12 LEU A CB 1 ATOM 101 C CG . LEU A 1 15 ? 5.788 -22.031 16.150 1.00 20.70 ? 12 LEU A CG 1 ATOM 102 C CD1 . LEU A 1 15 ? 4.421 -22.733 16.097 1.00 20.89 ? 12 LEU A CD1 1 ATOM 103 C CD2 . LEU A 1 15 ? 6.106 -21.556 17.567 1.00 24.54 ? 12 LEU A CD2 1 ATOM 104 N N . TYR A 1 16 ? 5.486 -22.111 12.689 1.00 13.94 ? 13 TYR A N 1 ATOM 105 C CA . TYR A 1 16 ? 5.019 -21.027 11.841 1.00 13.60 ? 13 TYR A CA 1 ATOM 106 C C . TYR A 1 16 ? 3.522 -20.873 12.047 1.00 18.36 ? 13 TYR A C 1 ATOM 107 O O . TYR A 1 16 ? 2.768 -21.840 11.913 1.00 17.97 ? 13 TYR A O 1 ATOM 108 C CB . TYR A 1 16 ? 5.366 -21.234 10.353 1.00 13.90 ? 13 TYR A CB 1 ATOM 109 C CG . TYR A 1 16 ? 4.956 -20.059 9.483 1.00 14.93 ? 13 TYR A CG 1 ATOM 110 C CD1 . TYR A 1 16 ? 5.765 -18.931 9.372 1.00 16.46 ? 13 TYR A CD1 1 ATOM 111 C CD2 . TYR A 1 16 ? 3.742 -20.064 8.792 1.00 15.13 ? 13 TYR A CD2 1 ATOM 112 C CE1 . TYR A 1 16 ? 5.386 -17.844 8.584 1.00 17.05 ? 13 TYR A CE1 1 ATOM 113 C CE2 . TYR A 1 16 ? 3.345 -18.974 8.018 1.00 16.08 ? 13 TYR A CE2 1 ATOM 114 C CZ . TYR A 1 16 ? 4.179 -17.874 7.901 1.00 22.43 ? 13 TYR A CZ 1 ATOM 115 O OH . TYR A 1 16 ? 3.814 -16.811 7.114 1.00 24.61 ? 13 TYR A OH 1 ATOM 116 N N . GLN A 1 17 ? 3.096 -19.657 12.398 1.00 15.45 ? 14 GLN A N 1 ATOM 117 C CA . GLN A 1 17 ? 1.693 -19.368 12.620 1.00 15.73 ? 14 GLN A CA 1 ATOM 118 C C . GLN A 1 17 ? 1.261 -18.143 11.809 1.00 20.63 ? 14 GLN A C 1 ATOM 119 O O . GLN A 1 17 ? 2.080 -17.261 11.523 1.00 20.50 ? 14 GLN A O 1 ATOM 120 C CB . GLN A 1 17 ? 1.377 -19.227 14.118 1.00 17.16 ? 14 GLN A CB 1 ATOM 121 C CG . GLN A 1 17 ? 2.048 -18.059 14.837 1.00 26.00 ? 14 GLN A CG 1 ATOM 122 C CD . GLN A 1 17 ? 1.981 -18.206 16.332 1.00 38.02 ? 14 GLN A CD 1 ATOM 123 O OE1 . GLN A 1 17 ? 1.033 -18.759 16.890 1.00 36.18 ? 14 GLN A OE1 1 ATOM 124 N NE2 . GLN A 1 17 ? 2.981 -17.687 17.018 1.00 28.61 ? 14 GLN A NE2 1 ATOM 125 N N . SER A 1 18 ? -0.002 -18.141 11.462 1.00 18.12 ? 15 SER A N 1 ATOM 126 C CA . SER A 1 18 ? -0.627 -17.107 10.715 1.00 19.12 ? 15 SER A CA 1 ATOM 127 C C . SER A 1 18 ? -0.644 -15.786 11.437 1.00 26.14 ? 15 SER A C 1 ATOM 128 O O . SER A 1 18 ? -0.540 -14.770 10.818 1.00 26.54 ? 15 SER A O 1 ATOM 129 C CB . SER A 1 18 ? -1.986 -17.531 10.181 1.00 21.90 ? 15 SER A CB 1 ATOM 130 O OG . SER A 1 18 ? -3.019 -17.396 11.087 1.00 30.18 ? 15 SER A OG 1 ATOM 131 N N . TYR A 1 19 ? -0.773 -15.822 12.749 1.00 23.20 ? 16 TYR A N 1 ATOM 132 C CA . TYR A 1 19 ? -0.820 -14.623 13.521 1.00 23.61 ? 16 TYR A CA 1 ATOM 133 C C . TYR A 1 19 ? 0.560 -14.054 13.567 1.00 27.97 ? 16 TYR A C 1 ATOM 134 O O . TYR A 1 19 ? 1.467 -14.658 14.029 1.00 26.94 ? 16 TYR A O 1 ATOM 135 C CB . TYR A 1 19 ? -1.368 -14.909 14.917 1.00 24.81 ? 16 TYR A CB 1 ATOM 136 C CG . TYR A 1 19 ? -1.483 -13.694 15.749 1.00 26.74 ? 16 TYR A CG 1 ATOM 137 C CD1 . TYR A 1 19 ? -2.511 -12.835 15.590 1.00 29.64 ? 16 TYR A CD1 1 ATOM 138 C CD2 . TYR A 1 19 ? -0.533 -13.387 16.655 1.00 27.19 ? 16 TYR A CD2 1 ATOM 139 C CE1 . TYR A 1 19 ? -2.592 -11.693 16.333 1.00 31.50 ? 16 TYR A CE1 1 ATOM 140 C CE2 . TYR A 1 19 ? -0.597 -12.254 17.378 1.00 28.89 ? 16 TYR A CE2 1 ATOM 141 C CZ . TYR A 1 19 ? -1.627 -11.415 17.217 1.00 37.41 ? 16 TYR A CZ 1 ATOM 142 O OH . TYR A 1 19 ? -1.677 -10.309 17.973 1.00 39.64 ? 16 TYR A OH 1 ATOM 143 N N . GLY A 1 20 ? 0.687 -12.854 13.058 1.00 25.56 ? 17 GLY A N 1 ATOM 144 C CA . GLY A 1 20 ? 1.948 -12.191 12.956 1.00 25.50 ? 17 GLY A CA 1 ATOM 145 C C . GLY A 1 20 ? 2.070 -11.741 11.526 1.00 29.42 ? 17 GLY A C 1 ATOM 146 O O . GLY A 1 20 ? 1.854 -10.612 11.297 1.00 30.15 ? 17 GLY A O 1 ATOM 147 N N . PRO A 1 21 ? 2.401 -12.632 10.503 1.00 24.60 ? 18 PRO A N 1 ATOM 148 C CA . PRO A 1 21 ? 2.679 -14.016 10.891 1.00 23.16 ? 18 PRO A CA 1 ATOM 149 C C . PRO A 1 21 ? 4.023 -14.161 11.478 1.00 26.13 ? 18 PRO A C 1 ATOM 150 O O . PRO A 1 21 ? 4.825 -13.340 11.289 1.00 25.90 ? 18 PRO A O 1 ATOM 151 C CB . PRO A 1 21 ? 2.577 -14.777 9.617 1.00 24.62 ? 18 PRO A CB 1 ATOM 152 C CG . PRO A 1 21 ? 3.144 -13.886 8.672 1.00 29.77 ? 18 PRO A CG 1 ATOM 153 C CD . PRO A 1 21 ? 2.568 -12.573 8.994 1.00 26.16 ? 18 PRO A CD 1 ATOM 154 N N . SER A 1 22 ? 4.216 -15.213 12.238 1.00 22.30 ? 19 SER A N 1 ATOM 155 C CA . SER A 1 22 ? 5.437 -15.477 12.961 1.00 21.36 ? 19 SER A CA 1 ATOM 156 C C . SER A 1 22 ? 5.884 -16.899 13.018 1.00 24.58 ? 19 SER A C 1 ATOM 157 O O . SER A 1 22 ? 5.161 -17.800 12.804 1.00 23.44 ? 19 SER A O 1 ATOM 158 C CB . SER A 1 22 ? 5.383 -14.893 14.369 1.00 24.47 ? 19 SER A CB 1 ATOM 159 O OG . SER A 1 22 ? 4.242 -15.242 15.085 1.00 31.34 ? 19 SER A OG 1 ATOM 160 N N . GLY A 1 23 ? 7.138 -17.070 13.338 1.00 21.12 ? 20 GLY A N 1 ATOM 161 C CA . GLY A 1 23 ? 7.687 -18.412 13.403 1.00 19.75 ? 20 GLY A CA 1 ATOM 162 C C . GLY A 1 23 ? 8.763 -18.581 14.448 1.00 22.30 ? 20 GLY A C 1 ATOM 163 O O . GLY A 1 23 ? 9.216 -17.604 15.048 1.00 22.55 ? 20 GLY A O 1 ATOM 164 N N . GLN A 1 24 ? 9.198 -19.833 14.635 1.00 17.44 ? 21 GLN A N 1 ATOM 165 C CA . GLN A 1 24 ? 10.246 -20.203 15.576 1.00 16.46 ? 21 GLN A CA 1 ATOM 166 C C . GLN A 1 24 ? 11.016 -21.420 15.079 1.00 18.94 ? 21 GLN A C 1 ATOM 167 O O . GLN A 1 24 ? 10.437 -22.335 14.498 1.00 18.80 ? 21 GLN A O 1 ATOM 168 C CB . GLN A 1 24 ? 9.651 -20.487 16.975 1.00 17.11 ? 21 GLN A CB 1 ATOM 169 C CG . GLN A 1 24 ? 10.684 -20.511 18.113 1.00 21.89 ? 21 GLN A CG 1 ATOM 170 C CD . GLN A 1 24 ? 10.082 -20.838 19.456 1.00 28.58 ? 21 GLN A CD 1 ATOM 171 O OE1 . GLN A 1 24 ? 9.714 -19.952 20.232 1.00 22.85 ? 21 GLN A OE1 1 ATOM 172 N NE2 . GLN A 1 24 ? 9.991 -22.119 19.774 1.00 14.06 ? 21 GLN A NE2 1 ATOM 173 N N . TYR A 1 25 ? 12.331 -21.409 15.321 1.00 13.96 ? 22 TYR A N 1 ATOM 174 C CA . TYR A 1 25 ? 13.239 -22.511 15.053 1.00 12.64 ? 22 TYR A CA 1 ATOM 175 C C . TYR A 1 25 ? 14.131 -22.699 16.261 1.00 16.43 ? 22 TYR A C 1 ATOM 176 O O . TYR A 1 25 ? 14.770 -21.746 16.714 1.00 16.79 ? 22 TYR A O 1 ATOM 177 C CB . TYR A 1 25 ? 14.082 -22.329 13.773 1.00 12.91 ? 22 TYR A CB 1 ATOM 178 C CG . TYR A 1 25 ? 14.798 -23.614 13.409 1.00 12.74 ? 22 TYR A CG 1 ATOM 179 C CD1 . TYR A 1 25 ? 16.004 -23.964 14.018 1.00 14.81 ? 22 TYR A CD1 1 ATOM 180 C CD2 . TYR A 1 25 ? 14.228 -24.524 12.524 1.00 12.59 ? 22 TYR A CD2 1 ATOM 181 C CE1 . TYR A 1 25 ? 16.622 -25.184 13.751 1.00 14.92 ? 22 TYR A CE1 1 ATOM 182 C CE2 . TYR A 1 25 ? 14.864 -25.725 12.211 1.00 13.16 ? 22 TYR A CE2 1 ATOM 183 C CZ . TYR A 1 25 ? 16.053 -26.056 12.834 1.00 20.13 ? 22 TYR A CZ 1 ATOM 184 O OH . TYR A 1 25 ? 16.649 -27.254 12.533 1.00 20.27 ? 22 TYR A OH 1 ATOM 185 N N . SER A 1 26 ? 14.180 -23.931 16.778 1.00 11.87 ? 23 SER A N 1 ATOM 186 C CA . SER A 1 26 ? 15.004 -24.263 17.939 1.00 11.69 ? 23 SER A CA 1 ATOM 187 C C . SER A 1 26 ? 15.394 -25.740 17.952 1.00 15.24 ? 23 SER A C 1 ATOM 188 O O . SER A 1 26 ? 14.672 -26.564 17.386 1.00 14.73 ? 23 SER A O 1 ATOM 189 C CB . SER A 1 26 ? 14.259 -23.920 19.232 1.00 14.34 ? 23 SER A CB 1 ATOM 190 O OG . SER A 1 26 ? 13.004 -24.573 19.287 1.00 23.82 ? 23 SER A OG 1 ATOM 191 N N . HIS A 1 27 ? 16.528 -26.075 18.606 1.00 11.04 ? 24 HIS A N 1 ATOM 192 C CA . HIS A 1 27 ? 16.911 -27.473 18.818 1.00 10.65 ? 24 HIS A CA 1 ATOM 193 C C . HIS A 1 27 ? 16.762 -27.791 20.291 1.00 17.98 ? 24 HIS A C 1 ATOM 194 O O . HIS A 1 27 ? 17.148 -26.981 21.134 1.00 20.29 ? 24 HIS A O 1 ATOM 195 C CB . HIS A 1 27 ? 18.323 -27.810 18.316 1.00 10.87 ? 24 HIS A CB 1 ATOM 196 C CG . HIS A 1 27 ? 18.404 -28.064 16.836 1.00 13.70 ? 24 HIS A CG 1 ATOM 197 N ND1 . HIS A 1 27 ? 19.511 -28.663 16.272 1.00 15.33 ? 24 HIS A ND1 1 ATOM 198 C CD2 . HIS A 1 27 ? 17.546 -27.725 15.845 1.00 14.68 ? 24 HIS A CD2 1 ATOM 199 C CE1 . HIS A 1 27 ? 19.292 -28.676 14.967 1.00 14.64 ? 24 HIS A CE1 1 ATOM 200 N NE2 . HIS A 1 27 ? 18.121 -28.134 14.665 1.00 14.62 ? 24 HIS A NE2 1 ATOM 201 N N . GLU A 1 28 ? 16.153 -28.940 20.610 1.00 13.55 ? 25 GLU A N 1 ATOM 202 C CA . GLU A 1 28 ? 15.946 -29.348 21.997 1.00 13.16 ? 25 GLU A CA 1 ATOM 203 C C . GLU A 1 28 ? 16.646 -30.675 22.292 1.00 17.34 ? 25 GLU A C 1 ATOM 204 O O . GLU A 1 28 ? 16.813 -31.506 21.403 1.00 15.22 ? 25 GLU A O 1 ATOM 205 C CB . GLU A 1 28 ? 14.439 -29.446 22.337 1.00 14.31 ? 25 GLU A CB 1 ATOM 206 C CG . GLU A 1 28 ? 13.735 -28.096 22.363 1.00 24.92 ? 25 GLU A CG 1 ATOM 207 C CD . GLU A 1 28 ? 12.220 -28.081 22.498 1.00 40.69 ? 25 GLU A CD 1 ATOM 208 O OE1 . GLU A 1 28 ? 11.615 -29.159 22.694 1.00 31.01 ? 25 GLU A OE1 1 ATOM 209 O OE2 . GLU A 1 28 ? 11.634 -26.980 22.398 1.00 30.36 -1 25 GLU A OE2 1 ATOM 210 N N . PHE A 1 29 ? 17.085 -30.848 23.548 1.00 15.41 ? 26 PHE A N 1 ATOM 211 C CA . PHE A 1 29 ? 17.693 -32.083 24.021 1.00 15.75 ? 26 PHE A CA 1 ATOM 212 C C . PHE A 1 29 ? 17.228 -32.338 25.429 1.00 20.86 ? 26 PHE A C 1 ATOM 213 O O . PHE A 1 29 ? 17.503 -31.535 26.320 1.00 21.59 ? 26 PHE A O 1 ATOM 214 C CB . PHE A 1 29 ? 19.221 -32.071 23.927 1.00 17.74 ? 26 PHE A CB 1 ATOM 215 C CG . PHE A 1 29 ? 19.815 -33.452 24.069 1.00 19.20 ? 26 PHE A CG 1 ATOM 216 C CD1 . PHE A 1 29 ? 19.877 -34.314 22.981 1.00 21.79 ? 26 PHE A CD1 1 ATOM 217 C CD2 . PHE A 1 29 ? 20.290 -33.899 25.297 1.00 21.09 ? 26 PHE A CD2 1 ATOM 218 C CE1 . PHE A 1 29 ? 20.407 -35.600 23.117 1.00 23.15 ? 26 PHE A CE1 1 ATOM 219 C CE2 . PHE A 1 29 ? 20.818 -35.186 25.435 1.00 23.86 ? 26 PHE A CE2 1 ATOM 220 C CZ . PHE A 1 29 ? 20.883 -36.024 24.341 1.00 22.34 ? 26 PHE A CZ 1 ATOM 221 N N . ASP A 1 30 ? 16.479 -33.446 25.614 1.00 17.68 ? 27 ASP A N 1 ATOM 222 C CA . ASP A 1 30 ? 15.872 -33.908 26.877 1.00 17.55 ? 27 ASP A CA 1 ATOM 223 C C . ASP A 1 30 ? 15.060 -32.776 27.549 1.00 21.05 ? 27 ASP A C 1 ATOM 224 O O . ASP A 1 30 ? 15.214 -32.514 28.739 1.00 21.35 ? 27 ASP A O 1 ATOM 225 C CB . ASP A 1 30 ? 16.944 -34.500 27.828 1.00 19.61 ? 27 ASP A CB 1 ATOM 226 C CG . ASP A 1 30 ? 17.545 -35.825 27.379 1.00 27.52 ? 27 ASP A CG 1 ATOM 227 O OD1 . ASP A 1 30 ? 16.934 -36.495 26.519 1.00 27.16 ? 27 ASP A OD1 1 ATOM 228 O OD2 . ASP A 1 30 ? 18.618 -36.204 27.909 1.00 31.43 -1 27 ASP A OD2 1 ATOM 229 N N . GLY A 1 31 ? 14.224 -32.112 26.756 1.00 17.43 ? 28 GLY A N 1 ATOM 230 C CA . GLY A 1 31 ? 13.344 -31.033 27.200 1.00 17.51 ? 28 GLY A CA 1 ATOM 231 C C . GLY A 1 31 ? 13.972 -29.670 27.444 1.00 21.66 ? 28 GLY A C 1 ATOM 232 O O . GLY A 1 31 ? 13.294 -28.754 27.924 1.00 21.92 ? 28 GLY A O 1 ATOM 233 N N . ASP A 1 32 ? 15.266 -29.519 27.126 1.00 17.45 ? 29 ASP A N 1 ATOM 234 C CA . ASP A 1 32 ? 15.978 -28.249 27.278 1.00 17.19 ? 29 ASP A CA 1 ATOM 235 C C . ASP A 1 32 ? 16.335 -27.706 25.914 1.00 21.12 ? 29 ASP A C 1 ATOM 236 O O . ASP A 1 32 ? 16.672 -28.469 25.013 1.00 20.44 ? 29 ASP A O 1 ATOM 237 C CB . ASP A 1 32 ? 17.240 -28.387 28.147 1.00 19.00 ? 29 ASP A CB 1 ATOM 238 C CG . ASP A 1 32 ? 16.993 -28.668 29.616 1.00 29.01 ? 29 ASP A CG 1 ATOM 239 O OD1 . ASP A 1 32 ? 16.200 -27.929 30.243 1.00 30.00 ? 29 ASP A OD1 1 ATOM 240 O OD2 . ASP A 1 32 ? 17.628 -29.585 30.150 1.00 34.50 -1 29 ASP A OD2 1 ATOM 241 N N . GLU A 1 33 ? 16.278 -26.386 25.774 1.00 17.99 ? 30 GLU A N 1 ATOM 242 C CA . GLU A 1 33 ? 16.577 -25.687 24.533 1.00 17.56 ? 30 GLU A CA 1 ATOM 243 C C . GLU A 1 33 ? 18.079 -25.538 24.378 1.00 20.69 ? 30 GLU A C 1 ATOM 244 O O . GLU A 1 33 ? 18.733 -24.992 25.262 1.00 20.99 ? 30 GLU A O 1 ATOM 245 C CB . GLU A 1 33 ? 15.866 -24.324 24.547 1.00 19.21 ? 30 GLU A CB 1 ATOM 246 C CG . GLU A 1 33 ? 16.234 -23.366 23.426 1.00 29.95 ? 30 GLU A CG 1 ATOM 247 C CD . GLU A 1 33 ? 15.634 -21.980 23.563 1.00 54.17 ? 30 GLU A CD 1 ATOM 248 O OE1 . GLU A 1 33 ? 15.398 -21.514 24.703 1.00 46.26 ? 30 GLU A OE1 1 ATOM 249 O OE2 . GLU A 1 33 ? 15.423 -21.345 22.509 1.00 53.97 -1 30 GLU A OE2 1 ATOM 250 N N . GLU A 1 34 ? 18.629 -26.035 23.256 1.00 16.47 ? 31 GLU A N 1 ATOM 251 C CA . GLU A 1 34 ? 20.062 -25.919 22.958 1.00 15.93 ? 31 GLU A CA 1 ATOM 252 C C . GLU A 1 34 ? 20.343 -24.547 22.367 1.00 19.18 ? 31 GLU A C 1 ATOM 253 O O . GLU A 1 34 ? 21.289 -23.871 22.768 1.00 20.81 ? 31 GLU A O 1 ATOM 254 C CB . GLU A 1 34 ? 20.522 -27.031 22.008 1.00 16.80 ? 31 GLU A CB 1 ATOM 255 C CG . GLU A 1 34 ? 20.296 -28.405 22.601 1.00 24.56 ? 31 GLU A CG 1 ATOM 256 C CD . GLU A 1 34 ? 20.747 -29.564 21.749 1.00 38.89 ? 31 GLU A CD 1 ATOM 257 O OE1 . GLU A 1 34 ? 20.277 -29.684 20.596 1.00 47.42 ? 31 GLU A OE1 1 ATOM 258 O OE2 . GLU A 1 34 ? 21.542 -30.383 22.259 1.00 24.64 -1 31 GLU A OE2 1 ATOM 259 N N . PHE A 1 35 ? 19.499 -24.141 21.419 1.00 12.71 ? 32 PHE A N 1 ATOM 260 C CA . PHE A 1 35 ? 19.569 -22.870 20.722 1.00 12.10 ? 32 PHE A CA 1 ATOM 261 C C . PHE A 1 35 ? 18.251 -22.562 20.086 1.00 14.15 ? 32 PHE A C 1 ATOM 262 O O . PHE A 1 35 ? 17.429 -23.456 19.890 1.00 12.49 ? 32 PHE A O 1 ATOM 263 C CB . PHE A 1 35 ? 20.679 -22.891 19.629 1.00 14.40 ? 32 PHE A CB 1 ATOM 264 C CG . PHE A 1 35 ? 20.423 -23.709 18.373 1.00 16.07 ? 32 PHE A CG 1 ATOM 265 C CD1 . PHE A 1 35 ? 19.538 -23.259 17.390 1.00 18.99 ? 32 PHE A CD1 1 ATOM 266 C CD2 . PHE A 1 35 ? 21.099 -24.898 18.152 1.00 18.35 ? 32 PHE A CD2 1 ATOM 267 C CE1 . PHE A 1 35 ? 19.290 -24.013 16.247 1.00 19.42 ? 32 PHE A CE1 1 ATOM 268 C CE2 . PHE A 1 35 ? 20.884 -25.631 16.982 1.00 21.52 ? 32 PHE A CE2 1 ATOM 269 C CZ . PHE A 1 35 ? 19.973 -25.185 16.042 1.00 19.34 ? 32 PHE A CZ 1 ATOM 270 N N . TYR A 1 36 ? 18.095 -21.308 19.674 1.00 11.86 ? 33 TYR A N 1 ATOM 271 C CA . TYR A 1 36 ? 17.010 -20.821 18.843 1.00 11.53 ? 33 TYR A CA 1 ATOM 272 C C . TYR A 1 36 ? 17.636 -19.949 17.769 1.00 16.92 ? 33 TYR A C 1 ATOM 273 O O . TYR A 1 36 ? 18.725 -19.399 17.986 1.00 17.25 ? 33 TYR A O 1 ATOM 274 C CB . TYR A 1 36 ? 15.923 -20.076 19.636 1.00 12.78 ? 33 TYR A CB 1 ATOM 275 C CG . TYR A 1 36 ? 16.308 -18.690 20.107 1.00 16.06 ? 33 TYR A CG 1 ATOM 276 C CD1 . TYR A 1 36 ? 16.062 -17.570 19.318 1.00 18.40 ? 33 TYR A CD1 1 ATOM 277 C CD2 . TYR A 1 36 ? 16.862 -18.490 21.368 1.00 17.33 ? 33 TYR A CD2 1 ATOM 278 C CE1 . TYR A 1 36 ? 16.410 -16.292 19.748 1.00 19.32 ? 33 TYR A CE1 1 ATOM 279 C CE2 . TYR A 1 36 ? 17.207 -17.215 21.812 1.00 18.81 ? 33 TYR A CE2 1 ATOM 280 C CZ . TYR A 1 36 ? 16.977 -16.118 20.999 1.00 25.82 ? 33 TYR A CZ 1 ATOM 281 O OH . TYR A 1 36 ? 17.299 -14.858 21.438 1.00 28.96 ? 33 TYR A OH 1 ATOM 282 N N . VAL A 1 37 ? 16.963 -19.822 16.615 1.00 13.80 ? 34 VAL A N 1 ATOM 283 C CA . VAL A 1 37 ? 17.432 -18.945 15.553 1.00 14.41 ? 34 VAL A CA 1 ATOM 284 C C . VAL A 1 37 ? 16.560 -17.700 15.571 1.00 20.74 ? 34 VAL A C 1 ATOM 285 O O . VAL A 1 37 ? 15.340 -17.806 15.541 1.00 19.64 ? 34 VAL A O 1 ATOM 286 C CB . VAL A 1 37 ? 17.483 -19.612 14.146 1.00 17.79 ? 34 VAL A CB 1 ATOM 287 C CG1 . VAL A 1 37 ? 17.773 -18.585 13.048 1.00 18.25 ? 34 VAL A CG1 1 ATOM 288 C CG2 . VAL A 1 37 ? 18.517 -20.728 14.101 1.00 17.46 ? 34 VAL A CG2 1 ATOM 289 N N . ASP A 1 38 ? 17.191 -16.522 15.648 1.00 20.88 ? 35 ASP A N 1 ATOM 290 C CA . ASP A 1 38 ? 16.514 -15.236 15.556 1.00 22.09 ? 35 ASP A CA 1 ATOM 291 C C . ASP A 1 38 ? 16.313 -15.017 14.070 1.00 26.60 ? 35 ASP A C 1 ATOM 292 O O . ASP A 1 38 ? 17.260 -14.682 13.367 1.00 26.80 ? 35 ASP A O 1 ATOM 293 C CB . ASP A 1 38 ? 17.346 -14.124 16.222 1.00 25.12 ? 35 ASP A CB 1 ATOM 294 C CG . ASP A 1 38 ? 16.631 -12.787 16.326 1.00 39.26 ? 35 ASP A CG 1 ATOM 295 O OD1 . ASP A 1 38 ? 16.092 -12.313 15.295 1.00 40.87 ? 35 ASP A OD1 1 ATOM 296 O OD2 . ASP A 1 38 ? 16.639 -12.196 17.425 1.00 47.50 -1 35 ASP A OD2 1 ATOM 297 N N . LEU A 1 39 ? 15.097 -15.285 13.585 1.00 23.24 ? 36 LEU A N 1 ATOM 298 C CA . LEU A 1 39 ? 14.736 -15.254 12.167 1.00 22.84 ? 36 LEU A CA 1 ATOM 299 C C . LEU A 1 39 ? 14.803 -13.859 11.533 1.00 29.96 ? 36 LEU A C 1 ATOM 300 O O . LEU A 1 39 ? 14.963 -13.768 10.315 1.00 31.19 ? 36 LEU A O 1 ATOM 301 C CB . LEU A 1 39 ? 13.352 -15.878 11.961 1.00 21.63 ? 36 LEU A CB 1 ATOM 302 C CG . LEU A 1 39 ? 13.143 -17.255 12.617 1.00 24.50 ? 36 LEU A CG 1 ATOM 303 C CD1 . LEU A 1 39 ? 11.685 -17.617 12.651 1.00 24.12 ? 36 LEU A CD1 1 ATOM 304 C CD2 . LEU A 1 39 ? 13.968 -18.353 11.927 1.00 25.50 ? 36 LEU A CD2 1 ATOM 305 N N . GLU A 1 40 ? 14.728 -12.789 12.336 1.00 28.40 ? 37 GLU A N 1 ATOM 306 C CA . GLU A 1 40 ? 14.839 -11.419 11.831 1.00 30.15 ? 37 GLU A CA 1 ATOM 307 C C . GLU A 1 40 ? 16.321 -11.037 11.663 1.00 33.61 ? 37 GLU A C 1 ATOM 308 O O . GLU A 1 40 ? 16.716 -10.554 10.595 1.00 33.09 ? 37 GLU A O 1 ATOM 309 C CB . GLU A 1 40 ? 14.117 -10.424 12.765 1.00 32.55 ? 37 GLU A CB 1 ATOM 310 C CG . GLU A 1 40 ? 12.619 -10.306 12.515 1.00 47.77 ? 37 GLU A CG 1 ATOM 311 C CD . GLU A 1 40 ? 11.750 -11.471 12.961 1.00 79.62 ? 37 GLU A CD 1 ATOM 312 O OE1 . GLU A 1 40 ? 10.760 -11.768 12.253 1.00 78.42 ? 37 GLU A OE1 1 ATOM 313 O OE2 . GLU A 1 40 ? 12.047 -12.077 14.018 1.00 77.87 -1 37 GLU A OE2 1 ATOM 314 N N . ARG A 1 41 ? 17.133 -11.280 12.715 1.00 29.99 ? 38 ARG A N 1 ATOM 315 C CA . ARG A 1 41 ? 18.568 -10.986 12.747 1.00 30.40 ? 38 ARG A CA 1 ATOM 316 C C . ARG A 1 41 ? 19.403 -11.996 11.943 1.00 33.78 ? 38 ARG A C 1 ATOM 317 O O . ARG A 1 41 ? 20.533 -11.671 11.576 1.00 34.43 ? 38 ARG A O 1 ATOM 318 C CB . ARG A 1 41 ? 19.077 -10.948 14.194 1.00 30.45 ? 38 ARG A CB 1 ATOM 319 C CG . ARG A 1 41 ? 18.814 -9.632 14.912 1.00 41.89 ? 38 ARG A CG 1 ATOM 320 C CD . ARG A 1 41 ? 19.464 -9.580 16.288 1.00 54.82 ? 38 ARG A CD 1 ATOM 321 N NE . ARG A 1 41 ? 20.930 -9.666 16.229 1.00 67.36 ? 38 ARG A NE 1 ATOM 322 C CZ . ARG A 1 41 ? 21.754 -8.621 16.256 1.00 84.56 ? 38 ARG A CZ 1 ATOM 323 N NH1 . ARG A 1 41 ? 21.271 -7.386 16.344 1.00 74.46 1 38 ARG A NH1 1 ATOM 324 N NH2 . ARG A 1 41 ? 23.067 -8.801 16.199 1.00 71.10 ? 38 ARG A NH2 1 ATOM 325 N N . LYS A 1 42 ? 18.847 -13.201 11.656 1.00 28.86 ? 39 LYS A N 1 ATOM 326 C CA . LYS A 1 42 ? 19.507 -14.317 10.951 1.00 28.25 ? 39 LYS A CA 1 ATOM 327 C C . LYS A 1 42 ? 20.708 -14.786 11.806 1.00 31.94 ? 39 LYS A C 1 ATOM 328 O O . LYS A 1 42 ? 21.838 -14.880 11.322 1.00 32.77 ? 39 LYS A O 1 ATOM 329 C CB . LYS A 1 42 ? 19.926 -13.949 9.499 1.00 31.92 ? 39 LYS A CB 1 ATOM 330 C CG . LYS A 1 42 ? 18.780 -13.507 8.590 1.00 50.74 ? 39 LYS A CG 1 ATOM 331 C CD . LYS A 1 42 ? 19.237 -13.315 7.142 1.00 62.18 ? 39 LYS A CD 1 ATOM 332 C CE . LYS A 1 42 ? 18.088 -12.917 6.239 1.00 73.21 ? 39 LYS A CE 1 ATOM 333 N NZ . LYS A 1 42 ? 18.511 -12.777 4.819 1.00 83.12 1 39 LYS A NZ 1 ATOM 334 N N . GLU A 1 43 ? 20.454 -15.044 13.095 1.00 26.79 ? 40 GLU A N 1 ATOM 335 C CA . GLU A 1 43 ? 21.503 -15.441 14.025 1.00 26.46 ? 40 GLU A CA 1 ATOM 336 C C . GLU A 1 43 ? 21.096 -16.615 14.904 1.00 26.84 ? 40 GLU A C 1 ATOM 337 O O . GLU A 1 43 ? 19.959 -16.685 15.362 1.00 25.53 ? 40 GLU A O 1 ATOM 338 C CB . GLU A 1 43 ? 21.885 -14.248 14.913 1.00 29.31 ? 40 GLU A CB 1 ATOM 339 C CG . GLU A 1 43 ? 23.337 -14.269 15.355 1.00 47.14 ? 40 GLU A CG 1 ATOM 340 C CD . GLU A 1 43 ? 23.696 -13.217 16.384 1.00 83.28 ? 40 GLU A CD 1 ATOM 341 O OE1 . GLU A 1 43 ? 23.824 -13.573 17.579 1.00 81.82 ? 40 GLU A OE1 1 ATOM 342 O OE2 . GLU A 1 43 ? 23.852 -12.036 15.996 1.00 86.33 -1 40 GLU A OE2 1 ATOM 343 N N . THR A 1 44 ? 22.044 -17.526 15.153 1.00 21.98 ? 41 THR A N 1 ATOM 344 C CA . THR A 1 44 ? 21.851 -18.665 16.050 1.00 20.37 ? 41 THR A CA 1 ATOM 345 C C . THR A 1 44 ? 22.249 -18.211 17.455 1.00 24.81 ? 41 THR A C 1 ATOM 346 O O . THR A 1 44 ? 23.353 -17.698 17.642 1.00 25.61 ? 41 THR A O 1 ATOM 347 C CB . THR A 1 44 ? 22.655 -19.897 15.585 1.00 22.57 ? 41 THR A CB 1 ATOM 348 O OG1 . THR A 1 44 ? 22.334 -20.205 14.227 1.00 22.49 ? 41 THR A OG1 1 ATOM 349 C CG2 . THR A 1 44 ? 22.428 -21.112 16.474 1.00 16.81 ? 41 THR A CG2 1 ATOM 350 N N . VAL A 1 45 ? 21.345 -18.371 18.423 1.00 21.00 ? 42 VAL A N 1 ATOM 351 C CA . VAL A 1 45 ? 21.597 -18.001 19.811 1.00 21.08 ? 42 VAL A CA 1 ATOM 352 C C . VAL A 1 45 ? 21.623 -19.278 20.637 1.00 25.96 ? 42 VAL A C 1 ATOM 353 O O . VAL A 1 45 ? 20.565 -19.840 20.898 1.00 25.23 ? 42 VAL A O 1 ATOM 354 C CB . VAL A 1 45 ? 20.555 -16.978 20.359 1.00 24.35 ? 42 VAL A CB 1 ATOM 355 C CG1 . VAL A 1 45 ? 20.890 -16.561 21.791 1.00 23.80 ? 42 VAL A CG1 1 ATOM 356 C CG2 . VAL A 1 45 ? 20.431 -15.757 19.447 1.00 24.54 ? 42 VAL A CG2 1 ATOM 357 N N . TRP A 1 46 ? 22.824 -19.752 21.011 1.00 24.18 ? 43 TRP A N 1 ATOM 358 C CA . TRP A 1 46 ? 22.975 -20.947 21.835 1.00 24.13 ? 43 TRP A CA 1 ATOM 359 C C . TRP A 1 46 ? 22.762 -20.593 23.312 1.00 29.57 ? 43 TRP A C 1 ATOM 360 O O . TRP A 1 46 ? 23.106 -19.493 23.751 1.00 29.20 ? 43 TRP A O 1 ATOM 361 C CB . TRP A 1 46 ? 24.329 -21.615 21.623 1.00 23.22 ? 43 TRP A CB 1 ATOM 362 C CG . TRP A 1 46 ? 24.488 -22.286 20.293 1.00 23.96 ? 43 TRP A CG 1 ATOM 363 C CD1 . TRP A 1 46 ? 24.929 -21.713 19.137 1.00 27.33 ? 43 TRP A CD1 1 ATOM 364 C CD2 . TRP A 1 46 ? 24.334 -23.686 20.014 1.00 23.24 ? 43 TRP A CD2 1 ATOM 365 N NE1 . TRP A 1 46 ? 25.043 -22.664 18.149 1.00 26.56 ? 43 TRP A NE1 1 ATOM 366 C CE2 . TRP A 1 46 ? 24.691 -23.886 18.661 1.00 27.31 ? 43 TRP A CE2 1 ATOM 367 C CE3 . TRP A 1 46 ? 23.913 -24.792 20.771 1.00 23.75 ? 43 TRP A CE3 1 ATOM 368 C CZ2 . TRP A 1 46 ? 24.630 -25.144 18.047 1.00 26.26 ? 43 TRP A CZ2 1 ATOM 369 C CZ3 . TRP A 1 46 ? 23.893 -26.044 20.177 1.00 24.96 ? 43 TRP A CZ3 1 ATOM 370 C CH2 . TRP A 1 46 ? 24.220 -26.207 18.823 1.00 25.87 ? 43 TRP A CH2 1 ATOM 371 N N . GLN A 1 47 ? 22.183 -21.530 24.067 1.00 27.52 ? 44 GLN A N 1 ATOM 372 C CA . GLN A 1 47 ? 21.818 -21.319 25.468 1.00 28.15 ? 44 GLN A CA 1 ATOM 373 C C . GLN A 1 47 ? 22.967 -21.589 26.452 1.00 33.00 ? 44 GLN A C 1 ATOM 374 O O . GLN A 1 47 ? 23.004 -20.950 27.504 1.00 32.40 ? 44 GLN A O 1 ATOM 375 C CB . GLN A 1 47 ? 20.583 -22.154 25.824 1.00 29.14 ? 44 GLN A CB 1 ATOM 376 C CG . GLN A 1 47 ? 19.366 -21.861 24.921 1.00 46.80 ? 44 GLN A CG 1 ATOM 377 C CD . GLN A 1 47 ? 19.046 -20.389 24.786 1.00 64.26 ? 44 GLN A CD 1 ATOM 378 O OE1 . GLN A 1 47 ? 18.691 -19.708 25.758 1.00 62.24 ? 44 GLN A OE1 1 ATOM 379 N NE2 . GLN A 1 47 ? 19.174 -19.867 23.573 1.00 50.94 ? 44 GLN A NE2 1 ATOM 380 N N . LEU A 1 48 ? 23.909 -22.489 26.114 1.00 31.23 ? 45 LEU A N 1 ATOM 381 C CA . LEU A 1 48 ? 25.055 -22.754 26.985 1.00 32.09 ? 45 LEU A CA 1 ATOM 382 C C . LEU A 1 48 ? 26.356 -22.291 26.319 1.00 39.52 ? 45 LEU A C 1 ATOM 383 O O . LEU A 1 48 ? 26.434 -22.322 25.090 1.00 38.79 ? 45 LEU A O 1 ATOM 384 C CB . LEU A 1 48 ? 25.147 -24.232 27.404 1.00 31.36 ? 45 LEU A CB 1 ATOM 385 C CG . LEU A 1 48 ? 24.079 -24.762 28.357 1.00 34.70 ? 45 LEU A CG 1 ATOM 386 C CD1 . LEU A 1 48 ? 24.328 -26.204 28.656 1.00 34.39 ? 45 LEU A CD1 1 ATOM 387 C CD2 . LEU A 1 48 ? 24.037 -23.981 29.664 1.00 37.05 ? 45 LEU A CD2 1 ATOM 388 N N . PRO A 1 49 ? 27.365 -21.814 27.101 1.00 39.97 ? 46 PRO A N 1 ATOM 389 C CA . PRO A 1 49 ? 28.615 -21.328 26.481 1.00 41.30 ? 46 PRO A CA 1 ATOM 390 C C . PRO A 1 49 ? 29.424 -22.433 25.812 1.00 45.46 ? 46 PRO A C 1 ATOM 391 O O . PRO A 1 49 ? 29.928 -22.234 24.708 1.00 45.20 ? 46 PRO A O 1 ATOM 392 C CB . PRO A 1 49 ? 29.399 -20.726 27.663 1.00 43.88 ? 46 PRO A CB 1 ATOM 393 C CG . PRO A 1 49 ? 28.427 -20.613 28.788 1.00 47.95 ? 46 PRO A CG 1 ATOM 394 C CD . PRO A 1 49 ? 27.422 -21.691 28.574 1.00 42.25 ? 46 PRO A CD 1 ATOM 395 N N . LEU A 1 50 ? 29.520 -23.601 26.478 1.00 42.10 ? 47 LEU A N 1 ATOM 396 C CA . LEU A 1 50 ? 30.261 -24.772 26.013 1.00 42.30 ? 47 LEU A CA 1 ATOM 397 C C . LEU A 1 50 ? 29.866 -25.171 24.583 1.00 44.17 ? 47 LEU A C 1 ATOM 398 O O . LEU A 1 50 ? 30.751 -25.462 23.781 1.00 44.42 ? 47 LEU A O 1 ATOM 399 C CB . LEU A 1 50 ? 30.048 -25.957 26.975 1.00 42.30 ? 47 LEU A CB 1 ATOM 400 C CG . LEU A 1 50 ? 31.052 -27.115 26.850 1.00 48.19 ? 47 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 50 ? 32.244 -26.913 27.776 1.00 49.49 ? 47 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 50 ? 30.386 -28.450 27.144 1.00 50.68 ? 47 LEU A CD2 1 ATOM 403 N N . PHE A 1 51 ? 28.582 -25.070 24.258 1.00 38.24 ? 48 PHE A N 1 ATOM 404 C CA . PHE A 1 51 ? 28.033 -25.531 22.988 1.00 36.58 ? 48 PHE A CA 1 ATOM 405 C C . PHE A 1 51 ? 28.649 -24.841 21.761 1.00 39.72 ? 48 PHE A C 1 ATOM 406 O O . PHE A 1 51 ? 28.918 -25.465 20.800 1.00 38.41 ? 48 PHE A O 1 ATOM 407 C CB . PHE A 1 51 ? 26.540 -25.229 22.931 1.00 37.50 ? 48 PHE A CB 1 ATOM 408 C CG . PHE A 1 51 ? 25.663 -26.114 23.751 1.00 38.18 ? 48 PHE A CG 1 ATOM 409 C CD1 . PHE A 1 51 ? 26.015 -27.371 24.083 1.00 40.90 ? 48 PHE A CD1 1 ATOM 410 C CD2 . PHE A 1 51 ? 24.441 -25.655 24.163 1.00 40.26 ? 48 PHE A CD2 1 ATOM 411 C CE1 . PHE A 1 51 ? 25.191 -28.169 24.825 1.00 41.40 ? 48 PHE A CE1 1 ATOM 412 C CE2 . PHE A 1 51 ? 23.605 -26.442 24.903 1.00 42.58 ? 48 PHE A CE2 1 ATOM 413 C CZ . PHE A 1 51 ? 23.984 -27.714 25.232 1.00 40.31 ? 48 PHE A CZ 1 ATOM 414 N N . ARG A 1 52 ? 28.851 -23.542 21.813 1.00 37.51 ? 49 ARG A N 1 ATOM 415 C CA . ARG A 1 52 ? 29.447 -22.803 20.704 1.00 38.31 ? 49 ARG A CA 1 ATOM 416 C C . ARG A 1 52 ? 30.845 -23.260 20.355 1.00 42.49 ? 49 ARG A C 1 ATOM 417 O O . ARG A 1 52 ? 31.261 -23.205 19.223 1.00 42.86 ? 49 ARG A O 1 ATOM 418 C CB . ARG A 1 52 ? 29.453 -21.311 20.982 1.00 39.99 ? 49 ARG A CB 1 ATOM 419 C CG . ARG A 1 52 ? 28.145 -20.636 20.640 1.00 51.38 ? 49 ARG A CG 1 ATOM 420 C CD . ARG A 1 52 ? 28.348 -19.242 20.103 1.00 63.09 ? 49 ARG A CD 1 ATOM 421 N NE . ARG A 1 52 ? 27.705 -19.016 18.822 1.00 72.05 ? 49 ARG A NE 1 ATOM 422 C CZ . ARG A 1 52 ? 26.450 -18.600 18.667 1.00 85.03 ? 49 ARG A CZ 1 ATOM 423 N NH1 . ARG A 1 52 ? 25.661 -18.381 19.710 1.00 69.41 1 49 ARG A NH1 1 ATOM 424 N NH2 . ARG A 1 52 ? 25.980 -18.416 17.452 1.00 71.76 ? 49 ARG A NH2 1 ATOM 425 N N . ARG A 1 53 ? 31.582 -23.676 21.356 1.00 38.12 ? 50 ARG A N 1 ATOM 426 C CA . ARG A 1 53 ? 32.933 -24.161 21.162 1.00 38.21 ? 50 ARG A CA 1 ATOM 427 C C . ARG A 1 53 ? 33.016 -25.339 20.230 1.00 40.26 ? 50 ARG A C 1 ATOM 428 O O . ARG A 1 53 ? 33.929 -25.426 19.452 1.00 41.40 ? 50 ARG A O 1 ATOM 429 C CB . ARG A 1 53 ? 33.620 -24.442 22.510 1.00 38.71 ? 50 ARG A CB 1 ATOM 430 C CG . ARG A 1 53 ? 34.840 -25.336 22.428 1.00 50.26 ? 50 ARG A CG 1 ATOM 431 C CD . ARG A 1 53 ? 35.607 -25.534 23.740 1.00 64.23 ? 50 ARG A CD 1 ATOM 432 N NE . ARG A 1 53 ? 36.832 -26.283 23.448 1.00 78.22 ? 50 ARG A NE 1 ATOM 433 C CZ . ARG A 1 53 ? 37.493 -27.100 24.265 1.00 93.35 ? 50 ARG A CZ 1 ATOM 434 N NH1 . ARG A 1 53 ? 38.577 -27.721 23.819 1.00 81.80 1 50 ARG A NH1 1 ATOM 435 N NH2 . ARG A 1 53 ? 37.087 -27.314 25.508 1.00 77.13 ? 50 ARG A NH2 1 ATOM 436 N N . PHE A 1 54 ? 32.074 -26.255 20.319 1.00 33.55 ? 51 PHE A N 1 ATOM 437 C CA . PHE A 1 54 ? 32.098 -27.490 19.530 1.00 32.32 ? 51 PHE A CA 1 ATOM 438 C C . PHE A 1 54 ? 30.961 -27.634 18.519 1.00 33.55 ? 51 PHE A C 1 ATOM 439 O O . PHE A 1 54 ? 30.965 -28.594 17.738 1.00 33.95 ? 51 PHE A O 1 ATOM 440 C CB . PHE A 1 54 ? 32.058 -28.709 20.477 1.00 33.71 ? 51 PHE A CB 1 ATOM 441 C CG . PHE A 1 54 ? 32.960 -28.624 21.688 1.00 35.60 ? 51 PHE A CG 1 ATOM 442 C CD1 . PHE A 1 54 ? 34.337 -28.489 21.545 1.00 40.02 ? 51 PHE A CD1 1 ATOM 443 C CD2 . PHE A 1 54 ? 32.434 -28.682 22.972 1.00 36.74 ? 51 PHE A CD2 1 ATOM 444 C CE1 . PHE A 1 54 ? 35.166 -28.383 22.668 1.00 41.41 ? 51 PHE A CE1 1 ATOM 445 C CE2 . PHE A 1 54 ? 33.266 -28.597 24.095 1.00 40.17 ? 51 PHE A CE2 1 ATOM 446 C CZ . PHE A 1 54 ? 34.627 -28.466 23.935 1.00 39.48 ? 51 PHE A CZ 1 ATOM 447 N N . ARG A 1 55 ? 29.971 -26.736 18.546 1.00 26.96 ? 52 ARG A N 1 ATOM 448 C CA . ARG A 1 55 ? 28.826 -26.864 17.643 1.00 24.59 ? 52 ARG A CA 1 ATOM 449 C C . ARG A 1 55 ? 28.513 -25.563 16.921 1.00 26.30 ? 52 ARG A C 1 ATOM 450 O O . ARG A 1 55 ? 28.700 -24.476 17.469 1.00 25.46 ? 52 ARG A O 1 ATOM 451 C CB . ARG A 1 55 ? 27.583 -27.357 18.402 1.00 22.06 ? 52 ARG A CB 1 ATOM 452 C CG . ARG A 1 55 ? 27.762 -28.693 19.095 1.00 21.21 ? 52 ARG A CG 1 ATOM 453 C CD . ARG A 1 55 ? 26.677 -28.923 20.104 1.00 19.50 ? 52 ARG A CD 1 ATOM 454 N NE . ARG A 1 55 ? 25.551 -29.605 19.485 1.00 19.47 ? 52 ARG A NE 1 ATOM 455 C CZ . ARG A 1 55 ? 24.595 -30.234 20.147 1.00 26.98 ? 52 ARG A CZ 1 ATOM 456 N NH1 . ARG A 1 55 ? 24.612 -30.269 21.475 1.00 14.91 1 52 ARG A NH1 1 ATOM 457 N NH2 . ARG A 1 55 ? 23.617 -30.833 19.494 1.00 14.24 ? 52 ARG A NH2 1 ATOM 458 N N . ARG A 1 56 ? 28.024 -25.691 15.680 1.00 22.23 ? 53 ARG A N 1 ATOM 459 C CA . ARG A 1 56 ? 27.671 -24.558 14.829 1.00 21.84 ? 53 ARG A CA 1 ATOM 460 C C . ARG A 1 56 ? 26.494 -24.903 13.911 1.00 24.86 ? 53 ARG A C 1 ATOM 461 O O . ARG A 1 56 ? 26.565 -25.855 13.131 1.00 24.72 ? 53 ARG A O 1 ATOM 462 C CB . ARG A 1 56 ? 28.886 -24.103 14.000 1.00 21.77 ? 53 ARG A CB 1 ATOM 463 C CG . ARG A 1 56 ? 28.708 -22.723 13.367 1.00 36.38 ? 53 ARG A CG 1 ATOM 464 C CD . ARG A 1 56 ? 29.619 -22.514 12.169 1.00 51.25 ? 53 ARG A CD 1 ATOM 465 N NE . ARG A 1 56 ? 29.213 -21.357 11.369 1.00 62.55 ? 53 ARG A NE 1 ATOM 466 C CZ . ARG A 1 56 ? 28.368 -21.406 10.341 1.00 78.43 ? 53 ARG A CZ 1 ATOM 467 N NH1 . ARG A 1 56 ? 28.061 -20.302 9.674 1.00 68.71 1 53 ARG A NH1 1 ATOM 468 N NH2 . ARG A 1 56 ? 27.823 -22.561 9.974 1.00 63.03 ? 53 ARG A NH2 1 ATOM 469 N N . PHE A 1 57 ? 25.422 -24.117 13.997 1.00 19.92 ? 54 PHE A N 1 ATOM 470 C CA . PHE A 1 57 ? 24.262 -24.272 13.134 1.00 18.39 ? 54 PHE A CA 1 ATOM 471 C C . PHE A 1 57 ? 24.139 -23.034 12.250 1.00 23.41 ? 54 PHE A C 1 ATOM 472 O O . PHE A 1 57 ? 24.176 -21.912 12.762 1.00 23.80 ? 54 PHE A O 1 ATOM 473 C CB . PHE A 1 57 ? 22.980 -24.506 13.951 1.00 18.53 ? 54 PHE A CB 1 ATOM 474 C CG . PHE A 1 57 ? 21.718 -24.623 13.117 1.00 18.68 ? 54 PHE A CG 1 ATOM 475 C CD1 . PHE A 1 57 ? 21.384 -25.821 12.494 1.00 20.94 ? 54 PHE A CD1 1 ATOM 476 C CD2 . PHE A 1 57 ? 20.850 -23.543 12.979 1.00 19.05 ? 54 PHE A CD2 1 ATOM 477 C CE1 . PHE A 1 57 ? 20.218 -25.927 11.725 1.00 20.91 ? 54 PHE A CE1 1 ATOM 478 C CE2 . PHE A 1 57 ? 19.680 -23.654 12.218 1.00 20.96 ? 54 PHE A CE2 1 ATOM 479 C CZ . PHE A 1 57 ? 19.372 -24.846 11.600 1.00 18.98 ? 54 PHE A CZ 1 ATOM 480 N N . ASP A 1 58 ? 23.969 -23.225 10.930 1.00 19.65 ? 55 ASP A N 1 ATOM 481 C CA . ASP A 1 58 ? 23.801 -22.075 10.053 1.00 19.51 ? 55 ASP A CA 1 ATOM 482 C C . ASP A 1 58 ? 22.326 -21.655 10.018 1.00 22.20 ? 55 ASP A C 1 ATOM 483 O O . ASP A 1 58 ? 21.456 -22.485 9.717 1.00 20.80 ? 55 ASP A O 1 ATOM 484 C CB . ASP A 1 58 ? 24.343 -22.307 8.647 1.00 21.91 ? 55 ASP A CB 1 ATOM 485 C CG . ASP A 1 58 ? 24.528 -20.984 7.936 1.00 34.04 ? 55 ASP A CG 1 ATOM 486 O OD1 . ASP A 1 58 ? 23.512 -20.431 7.421 1.00 33.00 ? 55 ASP A OD1 1 ATOM 487 O OD2 . ASP A 1 58 ? 25.665 -20.452 7.960 1.00 43.46 -1 55 ASP A OD2 1 ATOM 488 N N . PRO A 1 59 ? 22.052 -20.399 10.268 1.00 18.33 ? 56 PRO A N 1 ATOM 489 C CA . PRO A 1 59 ? 20.696 -19.860 10.332 1.00 16.84 ? 56 PRO A CA 1 ATOM 490 C C . PRO A 1 59 ? 19.816 -20.003 9.084 1.00 17.66 ? 56 PRO A C 1 ATOM 491 O O . PRO A 1 59 ? 18.637 -20.029 9.200 1.00 16.68 ? 56 PRO A O 1 ATOM 492 C CB . PRO A 1 59 ? 20.923 -18.401 10.639 1.00 19.22 ? 56 PRO A CB 1 ATOM 493 C CG . PRO A 1 59 ? 22.238 -18.327 11.244 1.00 24.44 ? 56 PRO A CG 1 ATOM 494 C CD . PRO A 1 59 ? 23.047 -19.470 10.776 1.00 20.13 ? 56 PRO A CD 1 ATOM 495 N N . GLN A 1 60 ? 20.423 -20.096 7.919 1.00 14.03 ? 57 GLN A N 1 ATOM 496 C CA . GLN A 1 60 ? 19.729 -20.230 6.660 1.00 13.68 ? 57 GLN A CA 1 ATOM 497 C C . GLN A 1 60 ? 18.929 -21.509 6.572 1.00 17.81 ? 57 GLN A C 1 ATOM 498 O O . GLN A 1 60 ? 17.921 -21.519 5.979 1.00 18.55 ? 57 GLN A O 1 ATOM 499 C CB . GLN A 1 60 ? 20.650 -20.017 5.446 1.00 15.17 ? 57 GLN A CB 1 ATOM 500 C CG . GLN A 1 60 ? 19.958 -19.946 4.097 1.00 18.52 ? 57 GLN A CG 1 ATOM 501 C CD . GLN A 1 60 ? 18.858 -18.929 3.998 1.00 25.96 ? 57 GLN A CD 1 ATOM 502 O OE1 . GLN A 1 60 ? 17.782 -19.245 3.620 1.00 21.51 ? 57 GLN A OE1 1 ATOM 503 N NE2 . GLN A 1 60 ? 19.143 -17.726 4.329 1.00 10.61 ? 57 GLN A NE2 1 ATOM 504 N N . PHE A 1 61 ? 19.408 -22.570 7.178 1.00 13.94 ? 58 PHE A N 1 ATOM 505 C CA . PHE A 1 61 ? 18.684 -23.804 7.199 1.00 13.27 ? 58 PHE A CA 1 ATOM 506 C C . PHE A 1 61 ? 17.337 -23.637 7.911 1.00 19.00 ? 58 PHE A C 1 ATOM 507 O O . PHE A 1 61 ? 16.351 -24.165 7.474 1.00 19.35 ? 58 PHE A O 1 ATOM 508 C CB . PHE A 1 61 ? 19.484 -24.894 7.849 1.00 14.42 ? 58 PHE A CB 1 ATOM 509 C CG . PHE A 1 61 ? 20.589 -25.410 7.009 1.00 16.07 ? 58 PHE A CG 1 ATOM 510 C CD1 . PHE A 1 61 ? 20.333 -25.966 5.786 1.00 18.71 ? 58 PHE A CD1 1 ATOM 511 C CD2 . PHE A 1 61 ? 21.891 -25.326 7.432 1.00 17.85 ? 58 PHE A CD2 1 ATOM 512 C CE1 . PHE A 1 61 ? 21.339 -26.421 5.012 1.00 20.11 ? 58 PHE A CE1 1 ATOM 513 C CE2 . PHE A 1 61 ? 22.908 -25.798 6.657 1.00 21.15 ? 58 PHE A CE2 1 ATOM 514 C CZ . PHE A 1 61 ? 22.622 -26.359 5.459 1.00 19.77 ? 58 PHE A CZ 1 ATOM 515 N N . ALA A 1 62 ? 17.335 -22.904 9.011 1.00 15.62 ? 59 ALA A N 1 ATOM 516 C CA . ALA A 1 62 ? 16.134 -22.602 9.736 1.00 15.07 ? 59 ALA A CA 1 ATOM 517 C C . ALA A 1 62 ? 15.158 -21.742 8.943 1.00 20.07 ? 59 ALA A C 1 ATOM 518 O O . ALA A 1 62 ? 13.995 -22.020 8.913 1.00 19.82 ? 59 ALA A O 1 ATOM 519 C CB . ALA A 1 62 ? 16.479 -21.942 11.040 1.00 15.58 ? 59 ALA A CB 1 ATOM 520 N N . LEU A 1 63 ? 15.676 -20.721 8.286 1.00 15.99 ? 60 LEU A N 1 ATOM 521 C CA . LEU A 1 63 ? 14.897 -19.835 7.471 1.00 15.68 ? 60 LEU A CA 1 ATOM 522 C C . LEU A 1 63 ? 14.278 -20.523 6.265 1.00 19.08 ? 60 LEU A C 1 ATOM 523 O O . LEU A 1 63 ? 13.188 -20.217 5.864 1.00 17.15 ? 60 LEU A O 1 ATOM 524 C CB . LEU A 1 63 ? 15.728 -18.653 7.081 1.00 16.58 ? 60 LEU A CB 1 ATOM 525 C CG . LEU A 1 63 ? 16.237 -17.780 8.185 1.00 21.54 ? 60 LEU A CG 1 ATOM 526 C CD1 . LEU A 1 63 ? 17.463 -17.064 7.738 1.00 22.81 ? 60 LEU A CD1 1 ATOM 527 C CD2 . LEU A 1 63 ? 15.195 -16.779 8.584 1.00 24.45 ? 60 LEU A CD2 1 ATOM 528 N N . THR A 1 64 ? 15.036 -21.421 5.672 1.00 16.62 ? 61 THR A N 1 ATOM 529 C CA . THR A 1 64 ? 14.550 -22.269 4.622 1.00 16.60 ? 61 THR A CA 1 ATOM 530 C C . THR A 1 64 ? 13.472 -23.256 5.069 1.00 20.80 ? 61 THR A C 1 ATOM 531 O O . THR A 1 64 ? 12.502 -23.415 4.381 1.00 21.34 ? 61 THR A O 1 ATOM 532 C CB . THR A 1 64 ? 15.676 -22.955 3.810 1.00 22.84 ? 61 THR A CB 1 ATOM 533 O OG1 . THR A 1 64 ? 16.470 -21.980 3.179 1.00 25.78 ? 61 THR A OG1 1 ATOM 534 C CG2 . THR A 1 64 ? 15.113 -23.797 2.742 1.00 19.19 ? 61 THR A CG2 1 ATOM 535 N N . ASN A 1 65 ? 13.639 -23.872 6.229 1.00 16.49 ? 62 ASN A N 1 ATOM 536 C CA . ASN A 1 65 ? 12.632 -24.755 6.784 1.00 15.70 ? 62 ASN A CA 1 ATOM 537 C C . ASN A 1 65 ? 11.352 -23.965 7.035 1.00 18.70 ? 62 ASN A C 1 ATOM 538 O O . ASN A 1 65 ? 10.312 -24.383 6.634 1.00 18.88 ? 62 ASN A O 1 ATOM 539 C CB . ASN A 1 65 ? 13.094 -25.352 8.107 1.00 15.87 ? 62 ASN A CB 1 ATOM 540 C CG . ASN A 1 65 ? 13.939 -26.581 7.961 1.00 27.98 ? 62 ASN A CG 1 ATOM 541 O OD1 . ASN A 1 65 ? 14.443 -26.883 6.935 1.00 21.66 ? 62 ASN A OD1 1 ATOM 542 N ND2 . ASN A 1 65 ? 14.062 -27.291 9.015 1.00 13.26 ? 62 ASN A ND2 1 ATOM 543 N N . ILE A 1 66 ? 11.471 -22.776 7.596 1.00 14.04 ? 63 ILE A N 1 ATOM 544 C CA . ILE A 1 66 ? 10.337 -21.938 7.893 1.00 13.14 ? 63 ILE A CA 1 ATOM 545 C C . ILE A 1 66 ? 9.518 -21.520 6.657 1.00 17.37 ? 63 ILE A C 1 ATOM 546 O O . ILE A 1 66 ? 8.324 -21.439 6.727 1.00 16.75 ? 63 ILE A O 1 ATOM 547 C CB . ILE A 1 66 ? 10.695 -20.755 8.811 1.00 15.93 ? 63 ILE A CB 1 ATOM 548 C CG1 . ILE A 1 66 ? 11.284 -21.226 10.140 1.00 15.44 ? 63 ILE A CG1 1 ATOM 549 C CG2 . ILE A 1 66 ? 9.499 -19.898 9.139 1.00 16.18 ? 63 ILE A CG2 1 ATOM 550 C CD1 . ILE A 1 66 ? 10.488 -22.259 10.884 1.00 14.90 ? 63 ILE A CD1 1 ATOM 551 N N . ALA A 1 67 ? 10.192 -21.273 5.544 1.00 14.42 ? 64 ALA A N 1 ATOM 552 C CA . ALA A 1 67 ? 9.528 -21.041 4.278 1.00 14.46 ? 64 ALA A CA 1 ATOM 553 C C . ALA A 1 67 ? 8.730 -22.218 3.780 1.00 17.76 ? 64 ALA A C 1 ATOM 554 O O . ALA A 1 67 ? 7.669 -22.051 3.299 1.00 17.64 ? 64 ALA A O 1 ATOM 555 C CB . ALA A 1 67 ? 10.483 -20.574 3.224 1.00 15.81 ? 64 ALA A CB 1 ATOM 556 N N . VAL A 1 68 ? 9.256 -23.403 3.941 1.00 13.49 ? 65 VAL A N 1 ATOM 557 C CA . VAL A 1 68 ? 8.526 -24.589 3.660 1.00 12.87 ? 65 VAL A CA 1 ATOM 558 C C . VAL A 1 68 ? 7.288 -24.745 4.541 1.00 17.01 ? 65 VAL A C 1 ATOM 559 O O . VAL A 1 68 ? 6.263 -25.068 4.043 1.00 17.68 ? 65 VAL A O 1 ATOM 560 C CB . VAL A 1 68 ? 9.411 -25.808 3.748 1.00 15.74 ? 65 VAL A CB 1 ATOM 561 C CG1 . VAL A 1 68 ? 8.621 -27.077 3.571 1.00 15.14 ? 65 VAL A CG1 1 ATOM 562 C CG2 . VAL A 1 68 ? 10.532 -25.700 2.760 1.00 15.46 ? 65 VAL A CG2 1 ATOM 563 N N . LEU A 1 69 ? 7.400 -24.473 5.832 1.00 13.07 ? 66 LEU A N 1 ATOM 564 C CA . LEU A 1 69 ? 6.274 -24.516 6.773 1.00 12.68 ? 66 LEU A CA 1 ATOM 565 C C . LEU A 1 69 ? 5.158 -23.535 6.340 1.00 16.54 ? 66 LEU A C 1 ATOM 566 O O . LEU A 1 69 ? 3.990 -23.922 6.355 1.00 15.08 ? 66 LEU A O 1 ATOM 567 C CB . LEU A 1 69 ? 6.736 -24.236 8.210 1.00 12.35 ? 66 LEU A CB 1 ATOM 568 C CG . LEU A 1 69 ? 7.018 -25.492 9.062 1.00 15.93 ? 66 LEU A CG 1 ATOM 569 C CD1 . LEU A 1 69 ? 8.418 -26.042 8.830 1.00 15.52 ? 66 LEU A CD1 1 ATOM 570 C CD2 . LEU A 1 69 ? 6.775 -25.228 10.523 1.00 16.31 ? 66 LEU A CD2 1 ATOM 571 N N . LYS A 1 70 ? 5.546 -22.310 5.868 1.00 14.44 ? 67 LYS A N 1 ATOM 572 C CA . LYS A 1 70 ? 4.668 -21.243 5.375 1.00 14.60 ? 67 LYS A CA 1 ATOM 573 C C . LYS A 1 70 ? 3.844 -21.753 4.181 1.00 19.59 ? 67 LYS A C 1 ATOM 574 O O . LYS A 1 70 ? 2.635 -21.494 4.100 1.00 20.23 ? 67 LYS A O 1 ATOM 575 C CB . LYS A 1 70 ? 5.506 -20.002 4.997 1.00 16.72 ? 67 LYS A CB 1 ATOM 576 C CG . LYS A 1 70 ? 4.730 -18.888 4.294 1.00 19.35 ? 67 LYS A CG 1 ATOM 577 C CD . LYS A 1 70 ? 5.595 -17.675 4.048 1.00 25.69 ? 67 LYS A CD 1 ATOM 578 C CE . LYS A 1 70 ? 4.838 -16.567 3.358 1.00 34.92 ? 67 LYS A CE 1 ATOM 579 N NZ . LYS A 1 70 ? 5.664 -15.336 3.235 1.00 43.49 1 67 LYS A NZ 1 ATOM 580 N N . HIS A 1 71 ? 4.511 -22.513 3.287 1.00 15.72 ? 68 HIS A N 1 ATOM 581 C CA . HIS A 1 71 ? 3.932 -23.139 2.104 1.00 15.30 ? 68 HIS A CA 1 ATOM 582 C C . HIS A 1 71 ? 2.924 -24.221 2.514 1.00 18.47 ? 68 HIS A C 1 ATOM 583 O O . HIS A 1 71 ? 1.806 -24.248 1.987 1.00 18.61 ? 68 HIS A O 1 ATOM 584 C CB . HIS A 1 71 ? 5.056 -23.734 1.224 1.00 15.97 ? 68 HIS A CB 1 ATOM 585 C CG . HIS A 1 71 ? 4.574 -24.585 0.088 1.00 19.31 ? 68 HIS A CG 1 ATOM 586 N ND1 . HIS A 1 71 ? 4.223 -24.034 -1.128 1.00 21.29 ? 68 HIS A ND1 1 ATOM 587 C CD2 . HIS A 1 71 ? 4.398 -25.923 0.026 1.00 20.43 ? 68 HIS A CD2 1 ATOM 588 C CE1 . HIS A 1 71 ? 3.838 -25.048 -1.878 1.00 20.59 ? 68 HIS A CE1 1 ATOM 589 N NE2 . HIS A 1 71 ? 3.939 -26.203 -1.230 1.00 20.61 ? 68 HIS A NE2 1 ATOM 590 N N . ASN A 1 72 ? 3.345 -25.128 3.423 1.00 14.76 ? 69 ASN A N 1 ATOM 591 C CA . ASN A 1 72 ? 2.553 -26.258 3.911 1.00 13.94 ? 69 ASN A CA 1 ATOM 592 C C . ASN A 1 72 ? 1.326 -25.790 4.654 1.00 17.62 ? 69 ASN A C 1 ATOM 593 O O . ASN A 1 72 ? 0.244 -26.313 4.395 1.00 17.98 ? 69 ASN A O 1 ATOM 594 C CB . ASN A 1 72 ? 3.393 -27.173 4.802 1.00 12.43 ? 69 ASN A CB 1 ATOM 595 C CG . ASN A 1 72 ? 4.361 -28.065 4.057 1.00 29.38 ? 69 ASN A CG 1 ATOM 596 O OD1 . ASN A 1 72 ? 4.572 -27.949 2.834 1.00 16.14 ? 69 ASN A OD1 1 ATOM 597 N ND2 . ASN A 1 72 ? 4.955 -29.002 4.781 1.00 19.99 ? 69 ASN A ND2 1 ATOM 598 N N . LEU A 1 73 ? 1.480 -24.758 5.516 1.00 13.89 ? 70 LEU A N 1 ATOM 599 C CA . LEU A 1 73 ? 0.393 -24.195 6.300 1.00 14.05 ? 70 LEU A CA 1 ATOM 600 C C . LEU A 1 73 ? -0.760 -23.762 5.413 1.00 20.38 ? 70 LEU A C 1 ATOM 601 O O . LEU A 1 73 ? -1.888 -24.188 5.663 1.00 21.10 ? 70 LEU A O 1 ATOM 602 C CB . LEU A 1 73 ? 0.848 -23.023 7.203 1.00 13.86 ? 70 LEU A CB 1 ATOM 603 C CG . LEU A 1 73 ? -0.255 -22.376 8.089 1.00 18.06 ? 70 LEU A CG 1 ATOM 604 C CD1 . LEU A 1 73 ? -0.995 -23.412 8.948 1.00 17.86 ? 70 LEU A CD1 1 ATOM 605 C CD2 . LEU A 1 73 ? 0.288 -21.256 8.934 1.00 19.26 ? 70 LEU A CD2 1 ATOM 606 N N . ASN A 1 74 ? -0.478 -22.964 4.367 1.00 17.57 ? 71 ASN A N 1 ATOM 607 C CA . ASN A 1 74 ? -1.506 -22.443 3.479 1.00 18.47 ? 71 ASN A CA 1 ATOM 608 C C . ASN A 1 74 ? -2.261 -23.547 2.722 1.00 21.55 ? 71 ASN A C 1 ATOM 609 O O . ASN A 1 74 ? -3.435 -23.363 2.423 1.00 22.12 ? 71 ASN A O 1 ATOM 610 C CB . ASN A 1 74 ? -0.921 -21.413 2.525 1.00 25.63 ? 71 ASN A CB 1 ATOM 611 C CG . ASN A 1 74 ? -0.769 -20.077 3.207 1.00 69.04 ? 71 ASN A CG 1 ATOM 612 O OD1 . ASN A 1 74 ? -1.716 -19.282 3.277 1.00 67.97 ? 71 ASN A OD1 1 ATOM 613 N ND2 . ASN A 1 74 ? 0.389 -19.844 3.825 1.00 63.80 ? 71 ASN A ND2 1 ATOM 614 N N . ILE A 1 75 ? -1.621 -24.693 2.465 1.00 17.04 ? 72 ILE A N 1 ATOM 615 C CA . ILE A 1 75 ? -2.268 -25.810 1.771 1.00 17.24 ? 72 ILE A CA 1 ATOM 616 C C . ILE A 1 75 ? -3.175 -26.571 2.757 1.00 21.71 ? 72 ILE A C 1 ATOM 617 O O . ILE A 1 75 ? -4.317 -26.884 2.412 1.00 22.08 ? 72 ILE A O 1 ATOM 618 C CB . ILE A 1 75 ? -1.200 -26.721 1.096 1.00 19.82 ? 72 ILE A CB 1 ATOM 619 C CG1 . ILE A 1 75 ? -0.568 -25.996 -0.112 1.00 20.36 ? 72 ILE A CG1 1 ATOM 620 C CG2 . ILE A 1 75 ? -1.757 -28.102 0.697 1.00 19.50 ? 72 ILE A CG2 1 ATOM 621 C CD1 . ILE A 1 75 ? 0.730 -26.606 -0.630 1.00 25.05 ? 72 ILE A CD1 1 ATOM 622 N N . VAL A 1 76 ? -2.674 -26.828 3.985 1.00 17.66 ? 73 VAL A N 1 ATOM 623 C CA . VAL A 1 76 ? -3.391 -27.578 5.018 1.00 17.48 ? 73 VAL A CA 1 ATOM 624 C C . VAL A 1 76 ? -4.612 -26.763 5.553 1.00 23.72 ? 73 VAL A C 1 ATOM 625 O O . VAL A 1 76 ? -5.635 -27.378 5.844 1.00 23.79 ? 73 VAL A O 1 ATOM 626 C CB . VAL A 1 76 ? -2.448 -28.099 6.149 1.00 19.77 ? 73 VAL A CB 1 ATOM 627 C CG1 . VAL A 1 76 ? -3.200 -29.007 7.114 1.00 19.74 ? 73 VAL A CG1 1 ATOM 628 C CG2 . VAL A 1 76 ? -1.272 -28.876 5.559 1.00 18.73 ? 73 VAL A CG2 1 ATOM 629 N N . ILE A 1 77 ? -4.534 -25.406 5.631 1.00 21.32 ? 74 ILE A N 1 ATOM 630 C CA . ILE A 1 77 ? -5.677 -24.551 6.038 1.00 21.41 ? 74 ILE A CA 1 ATOM 631 C C . ILE A 1 77 ? -6.883 -24.828 5.088 1.00 25.46 ? 74 ILE A C 1 ATOM 632 O O . ILE A 1 77 ? -8.011 -24.992 5.563 1.00 26.21 ? 74 ILE A O 1 ATOM 633 C CB . ILE A 1 77 ? -5.315 -23.023 6.073 1.00 24.36 ? 74 ILE A CB 1 ATOM 634 C CG1 . ILE A 1 77 ? -4.295 -22.698 7.173 1.00 23.76 ? 74 ILE A CG1 1 ATOM 635 C CG2 . ILE A 1 77 ? -6.577 -22.136 6.243 1.00 25.94 ? 74 ILE A CG2 1 ATOM 636 C CD1 . ILE A 1 77 ? -3.595 -21.377 6.984 1.00 27.01 ? 74 ILE A CD1 1 ATOM 637 N N . LYS A 1 78 ? -6.619 -24.917 3.762 1.00 21.33 ? 75 LYS A N 1 ATOM 638 C CA . LYS A 1 78 ? -7.644 -25.191 2.738 1.00 22.21 ? 75 LYS A CA 1 ATOM 639 C C . LYS A 1 78 ? -8.240 -26.598 2.908 1.00 25.98 ? 75 LYS A C 1 ATOM 640 O O . LYS A 1 78 ? -9.455 -26.750 2.836 1.00 26.63 ? 75 LYS A O 1 ATOM 641 C CB . LYS A 1 78 ? -7.076 -25.013 1.308 1.00 25.12 ? 75 LYS A CB 1 ATOM 642 C CG . LYS A 1 78 ? -8.144 -25.119 0.208 1.00 43.26 ? 75 LYS A CG 1 ATOM 643 C CD . LYS A 1 78 ? -7.534 -25.282 -1.180 1.00 54.47 ? 75 LYS A CD 1 ATOM 644 C CE . LYS A 1 78 ? -8.567 -25.331 -2.279 1.00 61.76 ? 75 LYS A CE 1 ATOM 645 N NZ . LYS A 1 78 ? -7.936 -25.393 -3.623 1.00 68.77 1 75 LYS A NZ 1 ATOM 646 N N . ARG A 1 79 ? -7.389 -27.601 3.152 1.00 22.41 ? 76 ARG A N 1 ATOM 647 C CA . ARG A 1 79 ? -7.776 -28.999 3.325 1.00 22.56 ? 76 ARG A CA 1 ATOM 648 C C . ARG A 1 79 ? -8.618 -29.216 4.586 1.00 27.82 ? 76 ARG A C 1 ATOM 649 O O . ARG A 1 79 ? -9.511 -30.068 4.576 1.00 28.39 ? 76 ARG A O 1 ATOM 650 C CB . ARG A 1 79 ? -6.524 -29.889 3.373 1.00 21.57 ? 76 ARG A CB 1 ATOM 651 C CG . ARG A 1 79 ? -6.783 -31.340 2.978 1.00 26.07 ? 76 ARG A CG 1 ATOM 652 C CD . ARG A 1 79 ? -5.586 -32.210 3.288 1.00 27.09 ? 76 ARG A CD 1 ATOM 653 N NE . ARG A 1 79 ? -4.526 -31.967 2.323 1.00 28.61 ? 76 ARG A NE 1 ATOM 654 C CZ . ARG A 1 79 ? -3.227 -32.080 2.568 1.00 39.75 ? 76 ARG A CZ 1 ATOM 655 N NH1 . ARG A 1 79 ? -2.797 -32.463 3.766 1.00 15.74 1 76 ARG A NH1 1 ATOM 656 N NH2 . ARG A 1 79 ? -2.347 -31.824 1.615 1.00 33.96 ? 76 ARG A NH2 1 ATOM 657 N N . SER A 1 80 ? -8.335 -28.459 5.660 1.00 24.53 ? 77 SER A N 1 ATOM 658 C CA . SER A 1 80 ? -9.063 -28.555 6.928 1.00 24.76 ? 77 SER A CA 1 ATOM 659 C C . SER A 1 80 ? -10.363 -27.757 6.898 1.00 31.16 ? 77 SER A C 1 ATOM 660 O O . SER A 1 80 ? -11.110 -27.817 7.867 1.00 32.13 ? 77 SER A O 1 ATOM 661 C CB . SER A 1 80 ? -8.195 -28.065 8.083 1.00 27.12 ? 77 SER A CB 1 ATOM 662 O OG . SER A 1 80 ? -8.067 -26.651 8.080 1.00 35.55 ? 77 SER A OG 1 ATOM 663 N N . ASN A 1 81 ? -10.631 -27.017 5.798 1.00 28.15 ? 78 ASN A N 1 ATOM 664 C CA . ASN A 1 81 ? -11.797 -26.138 5.603 1.00 29.26 ? 78 ASN A CA 1 ATOM 665 C C . ASN A 1 81 ? -11.728 -24.962 6.616 1.00 32.88 ? 78 ASN A C 1 ATOM 666 O O . ASN A 1 81 ? -12.733 -24.572 7.218 1.00 33.65 ? 78 ASN A O 1 ATOM 667 C CB . ASN A 1 81 ? -13.155 -26.901 5.641 1.00 32.19 ? 78 ASN A CB 1 ATOM 668 C CG . ASN A 1 81 ? -13.495 -27.620 4.345 1.00 66.37 ? 78 ASN A CG 1 ATOM 669 O OD1 . ASN A 1 81 ? -13.402 -27.061 3.243 1.00 62.70 ? 78 ASN A OD1 1 ATOM 670 N ND2 . ASN A 1 81 ? -13.920 -28.876 4.441 1.00 60.49 ? 78 ASN A ND2 1 ATOM 671 N N . SER A 1 82 ? -10.511 -24.466 6.781 1.00 27.57 ? 79 SER A N 1 ATOM 672 C CA . SER A 1 82 ? -10.145 -23.343 7.615 1.00 26.57 ? 79 SER A CA 1 ATOM 673 C C . SER A 1 82 ? -10.439 -23.499 9.085 1.00 28.62 ? 79 SER A C 1 ATOM 674 O O . SER A 1 82 ? -10.902 -22.599 9.711 1.00 28.60 ? 79 SER A O 1 ATOM 675 C CB . SER A 1 82 ? -10.717 -22.040 7.074 1.00 30.21 ? 79 SER A CB 1 ATOM 676 O OG . SER A 1 82 ? -10.470 -21.931 5.702 1.00 38.69 ? 79 SER A OG 1 ATOM 677 N N . THR A 1 83 ? -10.110 -24.650 9.616 1.00 23.22 ? 80 THR A N 1 ATOM 678 C CA . THR A 1 83 ? -10.252 -24.884 11.010 1.00 22.69 ? 80 THR A CA 1 ATOM 679 C C . THR A 1 83 ? -9.157 -24.146 11.729 1.00 25.76 ? 80 THR A C 1 ATOM 680 O O . THR A 1 83 ? -8.015 -24.356 11.491 1.00 24.65 ? 80 THR A O 1 ATOM 681 C CB . THR A 1 83 ? -10.089 -26.365 11.331 1.00 29.72 ? 80 THR A CB 1 ATOM 682 O OG1 . THR A 1 83 ? -10.979 -27.126 10.541 1.00 29.71 ? 80 THR A OG1 1 ATOM 683 C CG2 . THR A 1 83 ? -10.376 -26.627 12.743 1.00 26.63 ? 80 THR A CG2 1 ATOM 684 N N . ALA A 1 84 ? -9.558 -23.268 12.624 1.00 22.64 ? 81 ALA A N 1 ATOM 685 C CA . ALA A 1 84 ? -8.639 -22.508 13.422 1.00 22.17 ? 81 ALA A CA 1 ATOM 686 C C . ALA A 1 84 ? -8.222 -23.208 14.681 1.00 27.04 ? 81 ALA A C 1 ATOM 687 O O . ALA A 1 84 ? -8.809 -24.166 15.069 1.00 27.07 ? 81 ALA A O 1 ATOM 688 C CB . ALA A 1 84 ? -9.171 -21.141 13.724 1.00 23.51 ? 81 ALA A CB 1 ATOM 689 N N . ALA A 1 85 ? -7.164 -22.704 15.270 1.00 23.42 ? 82 ALA A N 1 ATOM 690 C CA . ALA A 1 85 ? -6.685 -23.154 16.541 1.00 23.18 ? 82 ALA A CA 1 ATOM 691 C C . ALA A 1 85 ? -7.635 -22.860 17.704 1.00 29.50 ? 82 ALA A C 1 ATOM 692 O O . ALA A 1 85 ? -8.322 -21.880 17.746 1.00 30.58 ? 82 ALA A O 1 ATOM 693 C CB . ALA A 1 85 ? -5.317 -22.591 16.814 1.00 23.03 ? 82 ALA A CB 1 ATOM 694 N N . THR A 1 86 ? -7.651 -23.764 18.641 1.00 25.77 ? 83 THR A N 1 ATOM 695 C CA . THR A 1 86 ? -8.417 -23.623 19.817 1.00 26.55 ? 83 THR A CA 1 ATOM 696 C C . THR A 1 86 ? -7.511 -23.113 20.924 1.00 30.92 ? 83 THR A C 1 ATOM 697 O O . THR A 1 86 ? -6.412 -23.585 21.080 1.00 30.44 ? 83 THR A O 1 ATOM 698 C CB . THR A 1 86 ? -9.027 -24.982 20.148 1.00 35.70 ? 83 THR A CB 1 ATOM 699 O OG1 . THR A 1 86 ? -10.089 -25.240 19.237 1.00 36.28 ? 83 THR A OG1 1 ATOM 700 C CG2 . THR A 1 86 ? -9.537 -25.026 21.542 1.00 35.28 ? 83 THR A CG2 1 ATOM 701 N N . ASN A 1 87 ? -7.992 -22.144 21.682 1.00 28.06 ? 84 ASN A N 1 ATOM 702 C CA . ASN A 1 87 ? -7.246 -21.504 22.769 1.00 27.68 ? 84 ASN A CA 1 ATOM 703 C C . ASN A 1 87 ? -7.333 -22.329 24.058 1.00 30.85 ? 84 ASN A C 1 ATOM 704 O O . ASN A 1 87 ? -8.430 -22.549 24.576 1.00 30.23 ? 84 ASN A O 1 ATOM 705 C CB . ASN A 1 87 ? -7.751 -20.071 23.024 1.00 28.44 ? 84 ASN A CB 1 ATOM 706 C CG . ASN A 1 87 ? -7.535 -19.086 21.896 1.00 47.51 ? 84 ASN A CG 1 ATOM 707 O OD1 . ASN A 1 87 ? -6.443 -18.953 21.338 1.00 40.11 ? 84 ASN A OD1 1 ATOM 708 N ND2 . ASN A 1 87 ? -8.560 -18.315 21.583 1.00 39.61 ? 84 ASN A ND2 1 ATOM 709 N N . GLU A 1 88 ? -6.169 -22.789 24.562 1.00 27.45 ? 85 GLU A N 1 ATOM 710 C CA . GLU A 1 88 ? -6.044 -23.554 25.810 1.00 27.48 ? 85 GLU A CA 1 ATOM 711 C C . GLU A 1 88 ? -5.845 -22.616 26.989 1.00 31.36 ? 85 GLU A C 1 ATOM 712 O O . GLU A 1 88 ? -5.464 -21.462 26.798 1.00 30.62 ? 85 GLU A O 1 ATOM 713 C CB . GLU A 1 88 ? -4.866 -24.548 25.744 1.00 27.86 ? 85 GLU A CB 1 ATOM 714 C CG . GLU A 1 88 ? -5.098 -25.760 24.854 1.00 38.10 ? 85 GLU A CG 1 ATOM 715 C CD . GLU A 1 88 ? -6.039 -26.838 25.363 1.00 62.91 ? 85 GLU A CD 1 ATOM 716 O OE1 . GLU A 1 88 ? -6.096 -27.063 26.596 1.00 61.91 ? 85 GLU A OE1 1 ATOM 717 O OE2 . GLU A 1 88 ? -6.684 -27.494 24.513 1.00 56.12 -1 85 GLU A OE2 1 ATOM 718 N N . VAL A 1 89 ? -6.082 -23.114 28.207 1.00 28.73 ? 86 VAL A N 1 ATOM 719 C CA . VAL A 1 89 ? -5.873 -22.326 29.412 1.00 29.19 ? 86 VAL A CA 1 ATOM 720 C C . VAL A 1 89 ? -4.451 -22.622 29.923 1.00 32.97 ? 86 VAL A C 1 ATOM 721 O O . VAL A 1 89 ? -4.167 -23.764 30.291 1.00 32.94 ? 86 VAL A O 1 ATOM 722 C CB . VAL A 1 89 ? -6.957 -22.574 30.496 1.00 34.15 ? 86 VAL A CB 1 ATOM 723 C CG1 . VAL A 1 89 ? -6.667 -21.766 31.760 1.00 34.48 ? 86 VAL A CG1 1 ATOM 724 C CG2 . VAL A 1 89 ? -8.355 -22.258 29.964 1.00 34.81 ? 86 VAL A CG2 1 ATOM 725 N N . PRO A 1 90 ? -3.536 -21.630 29.948 1.00 29.14 ? 87 PRO A N 1 ATOM 726 C CA . PRO A 1 90 ? -2.188 -21.915 30.466 1.00 28.23 ? 87 PRO A CA 1 ATOM 727 C C . PRO A 1 90 ? -2.153 -22.010 31.995 1.00 34.44 ? 87 PRO A C 1 ATOM 728 O O . PRO A 1 90 ? -2.994 -21.424 32.679 1.00 35.06 ? 87 PRO A O 1 ATOM 729 C CB . PRO A 1 90 ? -1.343 -20.749 29.948 1.00 29.47 ? 87 PRO A CB 1 ATOM 730 C CG . PRO A 1 90 ? -2.303 -19.648 29.704 1.00 35.00 ? 87 PRO A CG 1 ATOM 731 C CD . PRO A 1 90 ? -3.682 -20.218 29.536 1.00 31.15 ? 87 PRO A CD 1 ATOM 732 N N . GLU A 1 91 ? -1.177 -22.773 32.519 1.00 32.25 ? 88 GLU A N 1 ATOM 733 C CA . GLU A 1 91 ? -0.941 -23.000 33.951 1.00 33.20 ? 88 GLU A CA 1 ATOM 734 C C . GLU A 1 91 ? 0.310 -22.247 34.374 1.00 36.28 ? 88 GLU A C 1 ATOM 735 O O . GLU A 1 91 ? 1.370 -22.457 33.787 1.00 35.69 ? 88 GLU A O 1 ATOM 736 C CB . GLU A 1 91 ? -0.798 -24.507 34.253 1.00 34.38 ? 88 GLU A CB 1 ATOM 737 C CG . GLU A 1 91 ? -2.072 -25.307 34.021 1.00 47.46 ? 88 GLU A CG 1 ATOM 738 C CD . GLU A 1 91 ? -1.895 -26.703 33.451 1.00 69.69 ? 88 GLU A CD 1 ATOM 739 O OE1 . GLU A 1 91 ? -0.828 -27.318 33.684 1.00 69.85 ? 88 GLU A OE1 1 ATOM 740 O OE2 . GLU A 1 91 ? -2.845 -27.196 32.799 1.00 58.18 -1 88 GLU A OE2 1 ATOM 741 N N . VAL A 1 92 ? 0.190 -21.354 35.368 1.00 32.26 ? 89 VAL A N 1 ATOM 742 C CA . VAL A 1 92 ? 1.323 -20.538 35.806 1.00 31.31 ? 89 VAL A CA 1 ATOM 743 C C . VAL A 1 92 ? 1.819 -20.983 37.189 1.00 35.05 ? 89 VAL A C 1 ATOM 744 O O . VAL A 1 92 ? 1.026 -21.169 38.112 1.00 34.94 ? 89 VAL A O 1 ATOM 745 C CB . VAL A 1 92 ? 0.986 -19.026 35.771 1.00 35.58 ? 89 VAL A CB 1 ATOM 746 C CG1 . VAL A 1 92 ? 2.209 -18.173 36.087 1.00 34.97 ? 89 VAL A CG1 1 ATOM 747 C CG2 . VAL A 1 92 ? 0.408 -18.626 34.416 1.00 35.14 ? 89 VAL A CG2 1 ATOM 748 N N . THR A 1 93 ? 3.147 -21.173 37.304 1.00 30.66 ? 90 THR A N 1 ATOM 749 C CA . THR A 1 93 ? 3.830 -21.565 38.533 1.00 30.28 ? 90 THR A CA 1 ATOM 750 C C . THR A 1 93 ? 5.063 -20.683 38.661 1.00 34.27 ? 90 THR A C 1 ATOM 751 O O . THR A 1 93 ? 5.798 -20.521 37.689 1.00 32.97 ? 90 THR A O 1 ATOM 752 C CB . THR A 1 93 ? 4.147 -23.071 38.522 1.00 33.88 ? 90 THR A CB 1 ATOM 753 O OG1 . THR A 1 93 ? 2.955 -23.805 38.235 1.00 34.85 ? 90 THR A OG1 1 ATOM 754 C CG2 . THR A 1 93 ? 4.723 -23.558 39.837 1.00 30.67 ? 90 THR A CG2 1 ATOM 755 N N . VAL A 1 94 ? 5.265 -20.083 39.850 1.00 31.83 ? 91 VAL A N 1 ATOM 756 C CA . VAL A 1 94 ? 6.395 -19.191 40.151 1.00 31.38 ? 91 VAL A CA 1 ATOM 757 C C . VAL A 1 94 ? 7.184 -19.766 41.331 1.00 33.50 ? 91 VAL A C 1 ATOM 758 O O . VAL A 1 94 ? 6.596 -20.127 42.349 1.00 34.40 ? 91 VAL A O 1 ATOM 759 C CB . VAL A 1 94 ? 5.960 -17.715 40.420 1.00 36.81 ? 91 VAL A CB 1 ATOM 760 C CG1 . VAL A 1 94 ? 7.169 -16.785 40.526 1.00 36.86 ? 91 VAL A CG1 1 ATOM 761 C CG2 . VAL A 1 94 ? 5.007 -17.207 39.346 1.00 36.71 ? 91 VAL A CG2 1 ATOM 762 N N . PHE A 1 95 ? 8.513 -19.836 41.194 1.00 27.11 ? 92 PHE A N 1 ATOM 763 C CA . PHE A 1 95 ? 9.410 -20.354 42.225 1.00 26.27 ? 92 PHE A CA 1 ATOM 764 C C . PHE A 1 95 ? 10.786 -19.734 42.060 1.00 29.89 ? 92 PHE A C 1 ATOM 765 O O . PHE A 1 95 ? 11.113 -19.277 40.971 1.00 28.09 ? 92 PHE A O 1 ATOM 766 C CB . PHE A 1 95 ? 9.490 -21.896 42.160 1.00 26.81 ? 92 PHE A CB 1 ATOM 767 C CG . PHE A 1 95 ? 9.863 -22.454 40.805 1.00 26.92 ? 92 PHE A CG 1 ATOM 768 C CD1 . PHE A 1 95 ? 8.904 -22.599 39.804 1.00 29.10 ? 92 PHE A CD1 1 ATOM 769 C CD2 . PHE A 1 95 ? 11.159 -22.870 40.541 1.00 28.28 ? 92 PHE A CD2 1 ATOM 770 C CE1 . PHE A 1 95 ? 9.249 -23.095 38.548 1.00 28.89 ? 92 PHE A CE1 1 ATOM 771 C CE2 . PHE A 1 95 ? 11.508 -23.360 39.280 1.00 30.28 ? 92 PHE A CE2 1 ATOM 772 C CZ . PHE A 1 95 ? 10.546 -23.490 38.300 1.00 27.98 ? 92 PHE A CZ 1 ATOM 773 N N . SER A 1 96 ? 11.594 -19.708 43.130 1.00 28.17 ? 93 SER A N 1 ATOM 774 C CA . SER A 1 96 ? 12.949 -19.173 43.029 1.00 28.21 ? 93 SER A CA 1 ATOM 775 C C . SER A 1 96 ? 13.898 -20.245 42.477 1.00 32.40 ? 93 SER A C 1 ATOM 776 O O . SER A 1 96 ? 13.602 -21.446 42.548 1.00 31.30 ? 93 SER A O 1 ATOM 777 C CB . SER A 1 96 ? 13.438 -18.649 44.377 1.00 32.38 ? 93 SER A CB 1 ATOM 778 O OG . SER A 1 96 ? 13.619 -19.686 45.325 1.00 42.03 ? 93 SER A OG 1 ATOM 779 N N . LYS A 1 97 ? 15.011 -19.798 41.954 1.00 29.52 ? 94 LYS A N 1 ATOM 780 C CA . LYS A 1 97 ? 16.037 -20.651 41.446 1.00 27.97 ? 94 LYS A CA 1 ATOM 781 C C . LYS A 1 97 ? 16.819 -21.325 42.551 1.00 33.45 ? 94 LYS A C 1 ATOM 782 O O . LYS A 1 97 ? 17.095 -22.487 42.454 1.00 33.15 ? 94 LYS A O 1 ATOM 783 C CB . LYS A 1 97 ? 16.955 -19.849 40.546 1.00 29.15 ? 94 LYS A CB 1 ATOM 784 C CG . LYS A 1 97 ? 17.841 -20.682 39.656 1.00 33.13 ? 94 LYS A CG 1 ATOM 785 C CD . LYS A 1 97 ? 19.125 -19.983 39.353 1.00 35.37 ? 94 LYS A CD 1 ATOM 786 C CE . LYS A 1 97 ? 19.663 -20.370 38.007 1.00 35.24 ? 94 LYS A CE 1 ATOM 787 N NZ . LYS A 1 97 ? 20.301 -21.690 37.956 1.00 38.17 1 94 LYS A NZ 1 ATOM 788 N N . SER A 1 98 ? 17.173 -20.597 43.598 1.00 31.22 ? 95 SER A N 1 ATOM 789 C CA . SER A 1 98 ? 17.888 -21.180 44.716 1.00 31.85 ? 95 SER A CA 1 ATOM 790 C C . SER A 1 98 ? 17.304 -20.750 46.048 1.00 37.59 ? 95 SER A C 1 ATOM 791 O O . SER A 1 98 ? 16.407 -19.931 46.071 1.00 37.78 ? 95 SER A O 1 ATOM 792 C CB . SER A 1 98 ? 19.338 -20.802 44.650 1.00 36.21 ? 95 SER A CB 1 ATOM 793 O OG . SER A 1 98 ? 19.436 -19.424 44.686 1.00 48.75 ? 95 SER A OG 1 ATOM 794 N N . PRO A 1 99 ? 17.799 -21.293 47.159 1.00 35.11 ? 96 PRO A N 1 ATOM 795 C CA . PRO A 1 99 ? 17.206 -20.844 48.432 1.00 36.01 ? 96 PRO A CA 1 ATOM 796 C C . PRO A 1 99 ? 17.422 -19.338 48.614 1.00 39.51 ? 96 PRO A C 1 ATOM 797 O O . PRO A 1 99 ? 18.478 -18.805 48.256 1.00 38.62 ? 96 PRO A O 1 ATOM 798 C CB . PRO A 1 99 ? 17.942 -21.677 49.488 1.00 38.01 ? 96 PRO A CB 1 ATOM 799 C CG . PRO A 1 99 ? 19.230 -22.056 48.843 1.00 41.81 ? 96 PRO A CG 1 ATOM 800 C CD . PRO A 1 99 ? 18.894 -22.261 47.401 1.00 36.40 ? 96 PRO A CD 1 ATOM 801 N N . VAL A 1 100 ? 16.386 -18.659 49.111 1.00 36.41 ? 97 VAL A N 1 ATOM 802 C CA . VAL A 1 100 ? 16.339 -17.210 49.278 1.00 37.17 ? 97 VAL A CA 1 ATOM 803 C C . VAL A 1 100 ? 17.252 -16.726 50.414 1.00 41.54 ? 97 VAL A C 1 ATOM 804 O O . VAL A 1 100 ? 17.018 -17.009 51.593 1.00 42.24 ? 97 VAL A O 1 ATOM 805 C CB . VAL A 1 100 ? 14.874 -16.728 49.470 1.00 41.89 ? 97 VAL A CB 1 ATOM 806 C CG1 . VAL A 1 100 ? 14.807 -15.257 49.872 1.00 43.23 ? 97 VAL A CG1 1 ATOM 807 C CG2 . VAL A 1 100 ? 14.057 -16.972 48.207 1.00 40.62 ? 97 VAL A CG2 1 ATOM 808 N N . THR A 1 101 ? 18.282 -15.966 50.032 1.00 37.72 ? 98 THR A N 1 ATOM 809 C CA . THR A 1 101 ? 19.187 -15.295 50.956 1.00 38.43 ? 98 THR A CA 1 ATOM 810 C C . THR A 1 101 ? 18.998 -13.802 50.670 1.00 42.99 ? 98 THR A C 1 ATOM 811 O O . THR A 1 101 ? 19.275 -13.344 49.557 1.00 41.51 ? 98 THR A O 1 ATOM 812 C CB . THR A 1 101 ? 20.627 -15.816 50.839 1.00 43.06 ? 98 THR A CB 1 ATOM 813 O OG1 . THR A 1 101 ? 20.623 -17.242 50.937 1.00 41.02 ? 98 THR A OG1 1 ATOM 814 C CG2 . THR A 1 101 ? 21.544 -15.233 51.905 1.00 41.51 ? 98 THR A CG2 1 ATOM 815 N N . LEU A 1 102 ? 18.440 -13.075 51.648 1.00 40.76 ? 99 LEU A N 1 ATOM 816 C CA . LEU A 1 102 ? 18.134 -11.648 51.547 1.00 41.76 ? 99 LEU A CA 1 ATOM 817 C C . LEU A 1 102 ? 19.393 -10.792 51.298 1.00 45.32 ? 99 LEU A C 1 ATOM 818 O O . LEU A 1 102 ? 20.355 -10.854 52.067 1.00 45.52 ? 99 LEU A O 1 ATOM 819 C CB . LEU A 1 102 ? 17.402 -11.181 52.817 1.00 43.57 ? 99 LEU A CB 1 ATOM 820 C CG . LEU A 1 102 ? 15.890 -10.956 52.707 1.00 48.86 ? 99 LEU A CG 1 ATOM 821 C CD1 . LEU A 1 102 ? 15.135 -12.246 52.343 1.00 47.55 ? 99 LEU A CD1 1 ATOM 822 C CD2 . LEU A 1 102 ? 15.341 -10.371 53.994 1.00 53.48 ? 99 LEU A CD2 1 ATOM 823 N N . GLY A 1 103 ? 19.358 -10.032 50.205 1.00 40.97 ? 100 GLY A N 1 ATOM 824 C CA . GLY A 1 103 ? 20.437 -9.147 49.777 1.00 41.01 ? 100 GLY A CA 1 ATOM 825 C C . GLY A 1 103 ? 21.479 -9.805 48.892 1.00 42.70 ? 100 GLY A C 1 ATOM 826 O O . GLY A 1 103 ? 22.515 -9.198 48.609 1.00 43.40 ? 100 GLY A O 1 ATOM 827 N N . GLN A 1 104 ? 21.205 -11.040 48.428 1.00 36.21 ? 101 GLN A N 1 ATOM 828 C CA . GLN A 1 104 ? 22.140 -11.822 47.622 1.00 34.14 ? 101 GLN A CA 1 ATOM 829 C C . GLN A 1 104 ? 21.557 -12.198 46.257 1.00 37.19 ? 101 GLN A C 1 ATOM 830 O O . GLN A 1 104 ? 20.341 -12.398 46.163 1.00 36.26 ? 101 GLN A O 1 ATOM 831 C CB . GLN A 1 104 ? 22.584 -13.075 48.394 1.00 34.29 ? 101 GLN A CB 1 ATOM 832 C CG . GLN A 1 104 ? 23.548 -12.756 49.546 1.00 32.76 ? 101 GLN A CG 1 ATOM 833 C CD . GLN A 1 104 ? 24.855 -12.138 49.089 1.00 42.24 ? 101 GLN A CD 1 ATOM 834 O OE1 . GLN A 1 104 ? 25.433 -12.516 48.074 1.00 36.10 ? 101 GLN A OE1 1 ATOM 835 N NE2 . GLN A 1 104 ? 25.355 -11.171 49.830 1.00 35.88 ? 101 GLN A NE2 1 ATOM 836 N N . PRO A 1 105 ? 22.404 -12.282 45.187 1.00 33.28 ? 102 PRO A N 1 ATOM 837 C CA . PRO A 1 105 ? 21.874 -12.578 43.838 1.00 32.09 ? 102 PRO A CA 1 ATOM 838 C C . PRO A 1 105 ? 21.069 -13.875 43.745 1.00 36.11 ? 102 PRO A C 1 ATOM 839 O O . PRO A 1 105 ? 21.491 -14.912 44.263 1.00 36.48 ? 102 PRO A O 1 ATOM 840 C CB . PRO A 1 105 ? 23.129 -12.651 42.961 1.00 33.16 ? 102 PRO A CB 1 ATOM 841 C CG . PRO A 1 105 ? 24.161 -11.912 43.689 1.00 38.70 ? 102 PRO A CG 1 ATOM 842 C CD . PRO A 1 105 ? 23.864 -12.051 45.149 1.00 34.90 ? 102 PRO A CD 1 ATOM 843 N N . ASN A 1 106 ? 19.892 -13.791 43.096 1.00 31.48 ? 103 ASN A N 1 ATOM 844 C CA . ASN A 1 106 ? 18.964 -14.902 42.880 1.00 30.25 ? 103 ASN A CA 1 ATOM 845 C C . ASN A 1 106 ? 18.128 -14.634 41.620 1.00 34.73 ? 103 ASN A C 1 ATOM 846 O O . ASN A 1 106 ? 18.176 -13.532 41.073 1.00 35.36 ? 103 ASN A O 1 ATOM 847 C CB . ASN A 1 106 ? 18.060 -15.106 44.116 1.00 30.54 ? 103 ASN A CB 1 ATOM 848 C CG . ASN A 1 106 ? 17.521 -16.512 44.325 1.00 43.45 ? 103 ASN A CG 1 ATOM 849 O OD1 . ASN A 1 106 ? 17.301 -17.303 43.387 1.00 28.73 ? 103 ASN A OD1 1 ATOM 850 N ND2 . ASN A 1 106 ? 17.256 -16.840 45.579 1.00 36.13 ? 103 ASN A ND2 1 ATOM 851 N N . THR A 1 107 ? 17.380 -15.645 41.159 1.00 30.24 ? 104 THR A N 1 ATOM 852 C CA . THR A 1 107 ? 16.531 -15.565 39.978 1.00 29.44 ? 104 THR A CA 1 ATOM 853 C C . THR A 1 107 ? 15.146 -16.140 40.296 1.00 32.62 ? 104 THR A C 1 ATOM 854 O O . THR A 1 107 ? 15.036 -17.218 40.882 1.00 31.91 ? 104 THR A O 1 ATOM 855 C CB . THR A 1 107 ? 17.203 -16.301 38.793 1.00 37.18 ? 104 THR A CB 1 ATOM 856 O OG1 . THR A 1 107 ? 18.572 -15.900 38.689 1.00 37.75 ? 104 THR A OG1 1 ATOM 857 C CG2 . THR A 1 107 ? 16.493 -16.055 37.460 1.00 34.35 ? 104 THR A CG2 1 ATOM 858 N N . LEU A 1 108 ? 14.096 -15.400 39.923 1.00 28.78 ? 105 LEU A N 1 ATOM 859 C CA . LEU A 1 108 ? 12.706 -15.824 40.068 1.00 28.31 ? 105 LEU A CA 1 ATOM 860 C C . LEU A 1 108 ? 12.269 -16.455 38.766 1.00 29.87 ? 105 LEU A C 1 ATOM 861 O O . LEU A 1 108 ? 12.458 -15.855 37.707 1.00 28.58 ? 105 LEU A O 1 ATOM 862 C CB . LEU A 1 108 ? 11.788 -14.653 40.447 1.00 29.76 ? 105 LEU A CB 1 ATOM 863 C CG . LEU A 1 108 ? 11.284 -14.634 41.883 1.00 35.60 ? 105 LEU A CG 1 ATOM 864 C CD1 . LEU A 1 108 ? 10.427 -13.412 42.122 1.00 36.92 ? 105 LEU A CD1 1 ATOM 865 C CD2 . LEU A 1 108 ? 10.511 -15.905 42.220 1.00 37.30 ? 105 LEU A CD2 1 ATOM 866 N N . ILE A 1 109 ? 11.735 -17.676 38.836 1.00 25.81 ? 106 ILE A N 1 ATOM 867 C CA . ILE A 1 109 ? 11.341 -18.456 37.663 1.00 24.98 ? 106 ILE A CA 1 ATOM 868 C C . ILE A 1 109 ? 9.808 -18.536 37.524 1.00 30.23 ? 106 ILE A C 1 ATOM 869 O O . ILE A 1 109 ? 9.122 -18.969 38.450 1.00 30.38 ? 106 ILE A O 1 ATOM 870 C CB . ILE A 1 109 ? 11.984 -19.875 37.724 1.00 26.90 ? 106 ILE A CB 1 ATOM 871 C CG1 . ILE A 1 109 ? 13.532 -19.789 37.845 1.00 26.70 ? 106 ILE A CG1 1 ATOM 872 C CG2 . ILE A 1 109 ? 11.561 -20.724 36.524 1.00 26.38 ? 106 ILE A CG2 1 ATOM 873 C CD1 . ILE A 1 109 ? 14.257 -21.095 38.162 1.00 30.94 ? 106 ILE A CD1 1 ATOM 874 N N . CYS A 1 110 ? 9.287 -18.142 36.351 1.00 27.25 ? 107 CYS A N 1 ATOM 875 C CA . CYS A 1 110 ? 7.857 -18.210 36.063 1.00 27.81 ? 107 CYS A CA 1 ATOM 876 C C . CYS A 1 110 ? 7.590 -19.184 34.919 1.00 29.88 ? 107 CYS A C 1 ATOM 877 O O . CYS A 1 110 ? 7.793 -18.863 33.740 1.00 29.06 ? 107 CYS A O 1 ATOM 878 C CB . CYS A 1 110 ? 7.279 -16.833 35.768 1.00 29.54 ? 107 CYS A CB 1 ATOM 879 S SG . CYS A 1 110 ? 5.475 -16.809 35.601 1.00 34.41 ? 107 CYS A SG 1 ATOM 880 N N . LEU A 1 111 ? 7.131 -20.378 35.285 1.00 24.92 ? 108 LEU A N 1 ATOM 881 C CA . LEU A 1 111 ? 6.791 -21.444 34.366 1.00 23.66 ? 108 LEU A CA 1 ATOM 882 C C . LEU A 1 111 ? 5.356 -21.284 33.872 1.00 26.99 ? 108 LEU A C 1 ATOM 883 O O . LEU A 1 111 ? 4.412 -21.331 34.663 1.00 28.52 ? 108 LEU A O 1 ATOM 884 C CB . LEU A 1 111 ? 6.992 -22.806 35.061 1.00 23.49 ? 108 LEU A CB 1 ATOM 885 C CG . LEU A 1 111 ? 6.363 -24.054 34.420 1.00 27.56 ? 108 LEU A CG 1 ATOM 886 C CD1 . LEU A 1 111 ? 7.059 -24.425 33.106 1.00 26.21 ? 108 LEU A CD1 1 ATOM 887 C CD2 . LEU A 1 111 ? 6.365 -25.219 35.412 1.00 30.56 ? 108 LEU A CD2 1 ATOM 888 N N . VAL A 1 112 ? 5.197 -21.099 32.559 1.00 20.76 ? 109 VAL A N 1 ATOM 889 C CA . VAL A 1 112 ? 3.874 -21.004 31.935 1.00 19.95 ? 109 VAL A CA 1 ATOM 890 C C . VAL A 1 112 ? 3.731 -22.261 31.075 1.00 21.94 ? 109 VAL A C 1 ATOM 891 O O . VAL A 1 112 ? 4.420 -22.406 30.064 1.00 21.29 ? 109 VAL A O 1 ATOM 892 C CB . VAL A 1 112 ? 3.619 -19.680 31.165 1.00 23.49 ? 109 VAL A CB 1 ATOM 893 C CG1 . VAL A 1 112 ? 2.161 -19.582 30.727 1.00 23.41 ? 109 VAL A CG1 1 ATOM 894 C CG2 . VAL A 1 112 ? 3.991 -18.471 32.023 1.00 24.29 ? 109 VAL A CG2 1 ATOM 895 N N . ASP A 1 113 ? 2.915 -23.202 31.549 1.00 17.39 ? 110 ASP A N 1 ATOM 896 C CA . ASP A 1 113 ? 2.679 -24.503 30.932 1.00 16.48 ? 110 ASP A CA 1 ATOM 897 C C . ASP A 1 113 ? 1.334 -24.540 30.208 1.00 21.12 ? 110 ASP A C 1 ATOM 898 O O . ASP A 1 113 ? 0.454 -23.748 30.524 1.00 21.62 ? 110 ASP A O 1 ATOM 899 C CB . ASP A 1 113 ? 2.716 -25.581 32.033 1.00 18.48 ? 110 ASP A CB 1 ATOM 900 C CG . ASP A 1 113 ? 2.834 -27.013 31.554 1.00 28.32 ? 110 ASP A CG 1 ATOM 901 O OD1 . ASP A 1 113 ? 3.085 -27.217 30.349 1.00 28.14 ? 110 ASP A OD1 1 ATOM 902 O OD2 . ASP A 1 113 ? 2.709 -27.928 32.393 1.00 35.43 -1 110 ASP A OD2 1 ATOM 903 N N . ASN A 1 114 ? 1.182 -25.472 29.240 1.00 17.37 ? 111 ASN A N 1 ATOM 904 C CA . ASN A 1 114 ? -0.025 -25.721 28.429 1.00 17.41 ? 111 ASN A CA 1 ATOM 905 C C . ASN A 1 114 ? -0.398 -24.485 27.581 1.00 20.71 ? 111 ASN A C 1 ATOM 906 O O . ASN A 1 114 ? -1.549 -24.028 27.573 1.00 21.13 ? 111 ASN A O 1 ATOM 907 C CB . ASN A 1 114 ? -1.203 -26.187 29.312 1.00 16.21 ? 111 ASN A CB 1 ATOM 908 C CG . ASN A 1 114 ? -2.341 -26.792 28.537 1.00 33.85 ? 111 ASN A CG 1 ATOM 909 O OD1 . ASN A 1 114 ? -3.470 -26.314 28.603 1.00 23.97 ? 111 ASN A OD1 1 ATOM 910 N ND2 . ASN A 1 114 ? -2.063 -27.834 27.756 1.00 28.48 ? 111 ASN A ND2 1 ATOM 911 N N . ILE A 1 115 ? 0.595 -23.986 26.886 1.00 15.62 ? 112 ILE A N 1 ATOM 912 C CA . ILE A 1 115 ? 0.437 -22.876 26.012 1.00 15.31 ? 112 ILE A CA 1 ATOM 913 C C . ILE A 1 115 ? 0.054 -23.336 24.591 1.00 18.65 ? 112 ILE A C 1 ATOM 914 O O . ILE A 1 115 ? 0.783 -24.034 23.948 1.00 16.67 ? 112 ILE A O 1 ATOM 915 C CB . ILE A 1 115 ? 1.699 -22.013 25.991 1.00 17.82 ? 112 ILE A CB 1 ATOM 916 C CG1 . ILE A 1 115 ? 2.104 -21.588 27.376 1.00 17.80 ? 112 ILE A CG1 1 ATOM 917 C CG2 . ILE A 1 115 ? 1.497 -20.780 25.151 1.00 19.57 ? 112 ILE A CG2 1 ATOM 918 C CD1 . ILE A 1 115 ? 3.336 -20.769 27.371 1.00 17.97 ? 112 ILE A CD1 1 ATOM 919 N N . PHE A 1 116 ? -1.156 -22.991 24.198 1.00 16.59 ? 113 PHE A N 1 ATOM 920 C CA . PHE A 1 116 ? -1.617 -23.047 22.834 1.00 16.49 ? 113 PHE A CA 1 ATOM 921 C C . PHE A 1 116 ? -2.727 -22.062 22.526 1.00 22.38 ? 113 PHE A C 1 ATOM 922 O O . PHE A 1 116 ? -3.674 -22.031 23.236 1.00 22.58 ? 113 PHE A O 1 ATOM 923 C CB . PHE A 1 116 ? -2.044 -24.450 22.437 1.00 17.52 ? 113 PHE A CB 1 ATOM 924 C CG . PHE A 1 116 ? -1.930 -24.678 20.989 1.00 18.23 ? 113 PHE A CG 1 ATOM 925 C CD1 . PHE A 1 116 ? -0.711 -24.917 20.431 1.00 20.73 ? 113 PHE A CD1 1 ATOM 926 C CD2 . PHE A 1 116 ? -3.010 -24.520 20.169 1.00 20.61 ? 113 PHE A CD2 1 ATOM 927 C CE1 . PHE A 1 116 ? -0.583 -25.065 19.084 1.00 21.26 ? 113 PHE A CE1 1 ATOM 928 C CE2 . PHE A 1 116 ? -2.881 -24.669 18.823 1.00 22.79 ? 113 PHE A CE2 1 ATOM 929 C CZ . PHE A 1 116 ? -1.671 -24.941 18.280 1.00 20.03 ? 113 PHE A CZ 1 ATOM 930 N N . PRO A 1 117 ? -2.698 -21.261 21.360 1.00 20.14 ? 114 PRO A N 1 ATOM 931 C CA . PRO A 1 117 ? -1.492 -21.358 20.538 1.00 18.93 ? 114 PRO A CA 1 ATOM 932 C C . PRO A 1 117 ? -0.267 -20.615 21.061 1.00 23.08 ? 114 PRO A C 1 ATOM 933 O O . PRO A 1 117 ? -0.381 -19.984 22.077 1.00 22.66 ? 114 PRO A O 1 ATOM 934 C CB . PRO A 1 117 ? -1.947 -20.771 19.218 1.00 20.78 ? 114 PRO A CB 1 ATOM 935 C CG . PRO A 1 117 ? -2.835 -19.699 19.561 1.00 26.23 ? 114 PRO A CG 1 ATOM 936 C CD . PRO A 1 117 ? -3.655 -20.299 20.609 1.00 22.71 ? 114 PRO A CD 1 ATOM 937 N N . PRO A 1 118 ? 0.888 -20.686 20.389 1.00 19.81 ? 115 PRO A N 1 ATOM 938 C CA . PRO A 1 118 ? 2.090 -20.095 21.014 1.00 19.76 ? 115 PRO A CA 1 ATOM 939 C C . PRO A 1 118 ? 2.210 -18.583 20.785 1.00 24.16 ? 115 PRO A C 1 ATOM 940 O O . PRO A 1 118 ? 3.067 -18.106 20.032 1.00 24.68 ? 115 PRO A O 1 ATOM 941 C CB . PRO A 1 118 ? 3.235 -20.874 20.370 1.00 20.70 ? 115 PRO A CB 1 ATOM 942 C CG . PRO A 1 118 ? 2.706 -21.214 19.009 1.00 24.21 ? 115 PRO A CG 1 ATOM 943 C CD . PRO A 1 118 ? 1.230 -21.416 19.149 1.00 20.10 ? 115 PRO A CD 1 ATOM 944 N N . VAL A 1 119 ? 1.330 -17.834 21.450 1.00 20.28 ? 116 VAL A N 1 ATOM 945 C CA . VAL A 1 119 ? 1.275 -16.370 21.496 1.00 20.80 ? 116 VAL A CA 1 ATOM 946 C C . VAL A 1 119 ? 1.046 -16.034 22.973 1.00 26.42 ? 116 VAL A C 1 ATOM 947 O O . VAL A 1 119 ? 0.001 -16.401 23.499 1.00 26.12 ? 116 VAL A O 1 ATOM 948 C CB . VAL A 1 119 ? 0.186 -15.763 20.560 1.00 24.75 ? 116 VAL A CB 1 ATOM 949 C CG1 . VAL A 1 119 ? 0.169 -14.238 20.641 1.00 25.61 ? 116 VAL A CG1 1 ATOM 950 C CG2 . VAL A 1 119 ? 0.351 -16.219 19.118 1.00 23.61 ? 116 VAL A CG2 1 ATOM 951 N N . VAL A 1 120 ? 2.027 -15.413 23.671 1.00 24.44 ? 117 VAL A N 1 ATOM 952 C CA . VAL A 1 120 ? 1.855 -15.123 25.105 1.00 25.34 ? 117 VAL A CA 1 ATOM 953 C C . VAL A 1 120 ? 2.695 -13.908 25.552 1.00 31.55 ? 117 VAL A C 1 ATOM 954 O O . VAL A 1 120 ? 3.783 -13.658 25.019 1.00 31.05 ? 117 VAL A O 1 ATOM 955 C CB . VAL A 1 120 ? 2.142 -16.388 25.984 1.00 28.50 ? 117 VAL A CB 1 ATOM 956 C CG1 . VAL A 1 120 ? 3.636 -16.702 26.095 1.00 27.53 ? 117 VAL A CG1 1 ATOM 957 C CG2 . VAL A 1 120 ? 1.487 -16.294 27.361 1.00 29.12 ? 117 VAL A CG2 1 ATOM 958 N N . ASN A 1 121 ? 2.162 -13.167 26.539 1.00 30.16 ? 118 ASN A N 1 ATOM 959 C CA . ASN A 1 121 ? 2.811 -12.036 27.194 1.00 31.15 ? 118 ASN A CA 1 ATOM 960 C C . ASN A 1 121 ? 3.112 -12.430 28.634 1.00 34.09 ? 118 ASN A C 1 ATOM 961 O O . ASN A 1 121 ? 2.185 -12.709 29.386 1.00 34.67 ? 118 ASN A O 1 ATOM 962 C CB . ASN A 1 121 ? 1.931 -10.778 27.134 1.00 37.16 ? 118 ASN A CB 1 ATOM 963 C CG . ASN A 1 121 ? 1.672 -10.236 25.749 1.00 76.57 ? 118 ASN A CG 1 ATOM 964 O OD1 . ASN A 1 121 ? 2.268 -10.681 24.751 1.00 69.83 ? 118 ASN A OD1 1 ATOM 965 N ND2 . ASN A 1 121 ? 0.770 -9.252 25.675 1.00 80.37 ? 118 ASN A ND2 1 ATOM 966 N N . ILE A 1 122 ? 4.400 -12.537 28.995 1.00 29.07 ? 119 ILE A N 1 ATOM 967 C CA . ILE A 1 122 ? 4.826 -12.882 30.355 1.00 28.16 ? 119 ILE A CA 1 ATOM 968 C C . ILE A 1 122 ? 5.608 -11.693 30.894 1.00 33.58 ? 119 ILE A C 1 ATOM 969 O O . ILE A 1 122 ? 6.636 -11.318 30.324 1.00 32.49 ? 119 ILE A O 1 ATOM 970 C CB . ILE A 1 122 ? 5.612 -14.217 30.468 1.00 29.23 ? 119 ILE A CB 1 ATOM 971 C CG1 . ILE A 1 122 ? 4.860 -15.391 29.788 1.00 27.93 ? 119 ILE A CG1 1 ATOM 972 C CG2 . ILE A 1 122 ? 5.903 -14.529 31.939 1.00 30.05 ? 119 ILE A CG2 1 ATOM 973 C CD1 . ILE A 1 122 ? 5.764 -16.547 29.328 1.00 32.21 ? 119 ILE A CD1 1 ATOM 974 N N . THR A 1 123 ? 5.079 -11.057 31.954 1.00 32.50 ? 120 THR A N 1 ATOM 975 C CA . THR A 1 123 ? 5.700 -9.868 32.541 1.00 33.67 ? 120 THR A CA 1 ATOM 976 C C . THR A 1 123 ? 5.824 -9.999 34.061 1.00 37.59 ? 120 THR A C 1 ATOM 977 O O . THR A 1 123 ? 5.124 -10.803 34.677 1.00 37.22 ? 120 THR A O 1 ATOM 978 C CB . THR A 1 123 ? 4.934 -8.589 32.143 1.00 45.71 ? 120 THR A CB 1 ATOM 979 O OG1 . THR A 1 123 ? 3.556 -8.718 32.485 1.00 48.45 ? 120 THR A OG1 1 ATOM 980 C CG2 . THR A 1 123 ? 5.090 -8.229 30.660 1.00 42.52 ? 120 THR A CG2 1 ATOM 981 N N . TRP A 1 124 ? 6.736 -9.218 34.651 1.00 34.15 ? 121 TRP A N 1 ATOM 982 C CA . TRP A 1 124 ? 7.007 -9.230 36.080 1.00 34.70 ? 121 TRP A CA 1 ATOM 983 C C . TRP A 1 124 ? 6.602 -7.924 36.749 1.00 43.12 ? 121 TRP A C 1 ATOM 984 O O . TRP A 1 124 ? 6.774 -6.844 36.175 1.00 43.25 ? 121 TRP A O 1 ATOM 985 C CB . TRP A 1 124 ? 8.497 -9.494 36.338 1.00 32.30 ? 121 TRP A CB 1 ATOM 986 C CG . TRP A 1 124 ? 8.926 -10.898 36.047 1.00 31.24 ? 121 TRP A CG 1 ATOM 987 C CD1 . TRP A 1 124 ? 9.495 -11.361 34.898 1.00 32.74 ? 121 TRP A CD1 1 ATOM 988 C CD2 . TRP A 1 124 ? 8.819 -12.025 36.927 1.00 30.56 ? 121 TRP A CD2 1 ATOM 989 N NE1 . TRP A 1 124 ? 9.753 -12.710 35.007 1.00 30.67 ? 121 TRP A NE1 1 ATOM 990 C CE2 . TRP A 1 124 ? 9.352 -13.142 36.245 1.00 32.58 ? 121 TRP A CE2 1 ATOM 991 C CE3 . TRP A 1 124 ? 8.308 -12.206 38.226 1.00 32.54 ? 121 TRP A CE3 1 ATOM 992 C CZ2 . TRP A 1 124 ? 9.421 -14.412 36.828 1.00 31.10 ? 121 TRP A CZ2 1 ATOM 993 C CZ3 . TRP A 1 124 ? 8.352 -13.473 38.790 1.00 33.25 ? 121 TRP A CZ3 1 ATOM 994 C CH2 . TRP A 1 124 ? 8.904 -14.558 38.095 1.00 32.32 ? 121 TRP A CH2 1 ATOM 995 N N . LEU A 1 125 ? 6.086 -8.032 37.978 1.00 42.71 ? 122 LEU A N 1 ATOM 996 C CA . LEU A 1 125 ? 5.700 -6.886 38.800 1.00 45.71 ? 122 LEU A CA 1 ATOM 997 C C . LEU A 1 125 ? 6.440 -6.912 40.134 1.00 52.18 ? 122 LEU A C 1 ATOM 998 O O . LEU A 1 125 ? 6.681 -7.989 40.675 1.00 51.12 ? 122 LEU A O 1 ATOM 999 C CB . LEU A 1 125 ? 4.178 -6.845 39.063 1.00 46.95 ? 122 LEU A CB 1 ATOM 1000 C CG . LEU A 1 125 ? 3.218 -6.736 37.880 1.00 51.60 ? 122 LEU A CG 1 ATOM 1001 C CD1 . LEU A 1 125 ? 1.804 -7.010 38.330 1.00 52.72 ? 122 LEU A CD1 1 ATOM 1002 C CD2 . LEU A 1 125 ? 3.270 -5.363 37.238 1.00 55.36 ? 122 LEU A CD2 1 ATOM 1003 N N . SER A 1 126 ? 6.792 -5.730 40.657 1.00 51.57 ? 123 SER A N 1 ATOM 1004 C CA . SER A 1 126 ? 7.420 -5.549 41.967 1.00 52.85 ? 123 SER A CA 1 ATOM 1005 C C . SER A 1 126 ? 6.616 -4.497 42.730 1.00 59.66 ? 123 SER A C 1 ATOM 1006 O O . SER A 1 126 ? 6.537 -3.342 42.292 1.00 60.53 ? 123 SER A O 1 ATOM 1007 C CB . SER A 1 126 ? 8.886 -5.150 41.833 1.00 56.63 ? 123 SER A CB 1 ATOM 1008 O OG . SER A 1 126 ? 9.526 -5.130 43.099 1.00 68.22 ? 123 SER A OG 1 ATOM 1009 N N . ASN A 1 127 ? 5.940 -4.926 43.822 1.00 57.09 ? 124 ASN A N 1 ATOM 1010 C CA . ASN A 1 127 ? 5.059 -4.104 44.669 1.00 58.99 ? 124 ASN A CA 1 ATOM 1011 C C . ASN A 1 127 ? 3.847 -3.540 43.870 1.00 63.82 ? 124 ASN A C 1 ATOM 1012 O O . ASN A 1 127 ? 3.201 -2.590 44.325 1.00 65.52 ? 124 ASN A O 1 ATOM 1013 C CB . ASN A 1 127 ? 5.839 -2.965 45.347 1.00 61.23 ? 124 ASN A CB 1 ATOM 1014 C CG . ASN A 1 127 ? 6.988 -3.410 46.215 1.00 83.87 ? 124 ASN A CG 1 ATOM 1015 O OD1 . ASN A 1 127 ? 6.857 -4.288 47.072 1.00 79.70 ? 124 ASN A OD1 1 ATOM 1016 N ND2 . ASN A 1 127 ? 8.127 -2.757 46.052 1.00 74.86 ? 124 ASN A ND2 1 ATOM 1017 N N . GLY A 1 128 ? 3.554 -4.146 42.712 1.00 58.82 ? 125 GLY A N 1 ATOM 1018 C CA . GLY A 1 128 ? 2.460 -3.756 41.827 1.00 58.93 ? 125 GLY A CA 1 ATOM 1019 C C . GLY A 1 128 ? 2.889 -3.082 40.536 1.00 62.50 ? 125 GLY A C 1 ATOM 1020 O O . GLY A 1 128 ? 2.144 -3.110 39.553 1.00 61.54 ? 125 GLY A O 1 ATOM 1021 N N . HIS A 1 129 ? 4.090 -2.461 40.532 1.00 59.61 ? 126 HIS A N 1 ATOM 1022 C CA . HIS A 1 129 ? 4.666 -1.737 39.389 1.00 59.37 ? 126 HIS A CA 1 ATOM 1023 C C . HIS A 1 129 ? 5.447 -2.688 38.470 1.00 61.95 ? 126 HIS A C 1 ATOM 1024 O O . HIS A 1 129 ? 5.936 -3.713 38.938 1.00 60.47 ? 126 HIS A O 1 ATOM 1025 C CB . HIS A 1 129 ? 5.563 -0.587 39.881 1.00 61.66 ? 126 HIS A CB 1 ATOM 1026 C CG . HIS A 1 129 ? 4.862 0.370 40.800 1.00 67.36 ? 126 HIS A CG 1 ATOM 1027 N ND1 . HIS A 1 129 ? 5.203 0.466 42.138 1.00 70.12 ? 126 HIS A ND1 1 ATOM 1028 C CD2 . HIS A 1 129 ? 3.837 1.220 40.549 1.00 70.48 ? 126 HIS A CD2 1 ATOM 1029 C CE1 . HIS A 1 129 ? 4.393 1.378 42.651 1.00 71.66 ? 126 HIS A CE1 1 ATOM 1030 N NE2 . HIS A 1 129 ? 3.550 1.857 41.734 1.00 72.32 ? 126 HIS A NE2 1 ATOM 1031 N N . SER A 1 130 ? 5.565 -2.353 37.169 1.00 58.74 ? 127 SER A N 1 ATOM 1032 C CA . SER A 1 130 ? 6.223 -3.222 36.184 1.00 56.91 ? 127 SER A CA 1 ATOM 1033 C C . SER A 1 130 ? 7.764 -3.103 36.159 1.00 61.22 ? 127 SER A C 1 ATOM 1034 O O . SER A 1 130 ? 8.313 -2.001 36.206 1.00 61.76 ? 127 SER A O 1 ATOM 1035 C CB . SER A 1 130 ? 5.658 -2.983 34.785 1.00 60.09 ? 127 SER A CB 1 ATOM 1036 O OG . SER A 1 130 ? 6.119 -1.789 34.175 1.00 71.14 ? 127 SER A OG 1 ATOM 1037 N N . VAL A 1 131 ? 8.437 -4.268 36.057 1.00 57.19 ? 128 VAL A N 1 ATOM 1038 C CA . VAL A 1 131 ? 9.896 -4.431 35.972 1.00 56.89 ? 128 VAL A CA 1 ATOM 1039 C C . VAL A 1 131 ? 10.245 -4.822 34.536 1.00 61.37 ? 128 VAL A C 1 ATOM 1040 O O . VAL A 1 131 ? 9.570 -5.683 33.965 1.00 60.59 ? 128 VAL A O 1 ATOM 1041 C CB . VAL A 1 131 ? 10.438 -5.479 36.986 1.00 59.80 ? 128 VAL A CB 1 ATOM 1042 C CG1 . VAL A 1 131 ? 11.958 -5.395 37.111 1.00 59.38 ? 128 VAL A CG1 1 ATOM 1043 C CG2 . VAL A 1 131 ? 9.782 -5.326 38.351 1.00 60.87 ? 128 VAL A CG2 1 ATOM 1044 N N . THR A 1 132 ? 11.293 -4.207 33.956 1.00 58.74 ? 129 THR A N 1 ATOM 1045 C CA . THR A 1 132 ? 11.705 -4.496 32.576 1.00 57.72 ? 129 THR A CA 1 ATOM 1046 C C . THR A 1 132 ? 13.151 -5.019 32.509 1.00 60.02 ? 129 THR A C 1 ATOM 1047 O O . THR A 1 132 ? 13.413 -5.972 31.767 1.00 58.17 ? 129 THR A O 1 ATOM 1048 C CB . THR A 1 132 ? 11.512 -3.270 31.671 1.00 68.60 ? 129 THR A CB 1 ATOM 1049 O OG1 . THR A 1 132 ? 12.067 -2.112 32.303 1.00 69.77 ? 129 THR A OG1 1 ATOM 1050 C CG2 . THR A 1 132 ? 10.046 -3.033 31.313 1.00 67.87 ? 129 THR A CG2 1 ATOM 1051 N N . GLU A 1 133 ? 14.079 -4.404 33.273 1.00 56.41 ? 130 GLU A N 1 ATOM 1052 C CA . GLU A 1 133 ? 15.479 -4.829 33.293 1.00 55.00 ? 130 GLU A CA 1 ATOM 1053 C C . GLU A 1 133 ? 15.668 -6.076 34.161 1.00 55.10 ? 130 GLU A C 1 ATOM 1054 O O . GLU A 1 133 ? 14.965 -6.254 35.158 1.00 54.77 ? 130 GLU A O 1 ATOM 1055 C CB . GLU A 1 133 ? 16.393 -3.696 33.764 1.00 58.06 ? 130 GLU A CB 1 ATOM 1056 C CG . GLU A 1 133 ? 16.946 -2.877 32.615 1.00 69.70 ? 130 GLU A CG 1 ATOM 1057 C CD . GLU A 1 133 ? 17.394 -1.490 33.019 1.00 96.68 ? 130 GLU A CD 1 ATOM 1058 O OE1 . GLU A 1 133 ? 18.604 -1.308 33.284 1.00 95.28 ? 130 GLU A OE1 1 ATOM 1059 O OE2 . GLU A 1 133 ? 16.527 -0.590 33.095 1.00 92.58 -1 130 GLU A OE2 1 ATOM 1060 N N . GLY A 1 134 ? 16.610 -6.924 33.754 1.00 48.82 ? 131 GLY A N 1 ATOM 1061 C CA . GLY A 1 134 ? 16.925 -8.179 34.431 1.00 46.91 ? 131 GLY A CA 1 ATOM 1062 C C . GLY A 1 134 ? 15.949 -9.297 34.122 1.00 47.52 ? 131 GLY A C 1 ATOM 1063 O O . GLY A 1 134 ? 15.929 -10.316 34.818 1.00 46.49 ? 131 GLY A O 1 ATOM 1064 N N . VAL A 1 135 ? 15.138 -9.111 33.065 1.00 41.98 ? 132 VAL A N 1 ATOM 1065 C CA . VAL A 1 135 ? 14.121 -10.056 32.621 1.00 39.69 ? 132 VAL A CA 1 ATOM 1066 C C . VAL A 1 135 ? 14.595 -10.762 31.347 1.00 40.50 ? 132 VAL A C 1 ATOM 1067 O O . VAL A 1 135 ? 14.993 -10.114 30.374 1.00 40.21 ? 132 VAL A O 1 ATOM 1068 C CB . VAL A 1 135 ? 12.738 -9.364 32.426 1.00 44.11 ? 132 VAL A CB 1 ATOM 1069 C CG1 . VAL A 1 135 ? 11.688 -10.332 31.868 1.00 42.69 ? 132 VAL A CG1 1 ATOM 1070 C CG2 . VAL A 1 135 ? 12.245 -8.733 33.730 1.00 45.20 ? 132 VAL A CG2 1 ATOM 1071 N N . SER A 1 136 ? 14.553 -12.098 31.377 1.00 34.57 ? 133 SER A N 1 ATOM 1072 C CA . SER A 1 136 ? 14.880 -12.977 30.256 1.00 32.31 ? 133 SER A CA 1 ATOM 1073 C C . SER A 1 136 ? 13.833 -14.087 30.167 1.00 32.84 ? 133 SER A C 1 ATOM 1074 O O . SER A 1 136 ? 13.094 -14.305 31.115 1.00 31.73 ? 133 SER A O 1 ATOM 1075 C CB . SER A 1 136 ? 16.283 -13.559 30.408 1.00 36.05 ? 133 SER A CB 1 ATOM 1076 O OG . SER A 1 136 ? 16.391 -14.395 31.547 1.00 47.31 ? 133 SER A OG 1 ATOM 1077 N N . GLU A 1 137 ? 13.741 -14.759 29.029 1.00 28.46 ? 134 GLU A N 1 ATOM 1078 C CA . GLU A 1 137 ? 12.801 -15.860 28.866 1.00 27.23 ? 134 GLU A CA 1 ATOM 1079 C C . GLU A 1 137 ? 13.289 -16.835 27.803 1.00 29.68 ? 134 GLU A C 1 ATOM 1080 O O . GLU A 1 137 ? 14.042 -16.458 26.901 1.00 29.67 ? 134 GLU A O 1 ATOM 1081 C CB . GLU A 1 137 ? 11.363 -15.381 28.554 1.00 28.80 ? 134 GLU A CB 1 ATOM 1082 C CG . GLU A 1 137 ? 11.186 -14.554 27.292 1.00 38.76 ? 134 GLU A CG 1 ATOM 1083 C CD . GLU A 1 137 ? 9.750 -14.430 26.820 1.00 66.14 ? 134 GLU A CD 1 ATOM 1084 O OE1 . GLU A 1 137 ? 9.476 -14.817 25.661 1.00 68.76 ? 134 GLU A OE1 1 ATOM 1085 O OE2 . GLU A 1 137 ? 8.895 -13.959 27.606 1.00 64.15 -1 134 GLU A OE2 1 ATOM 1086 N N . THR A 1 138 ? 12.853 -18.097 27.926 1.00 24.39 ? 135 THR A N 1 ATOM 1087 C CA . THR A 1 138 ? 13.155 -19.164 26.982 1.00 22.66 ? 135 THR A CA 1 ATOM 1088 C C . THR A 1 138 ? 12.270 -18.995 25.764 1.00 26.72 ? 135 THR A C 1 ATOM 1089 O O . THR A 1 138 ? 11.350 -18.179 25.791 1.00 26.49 ? 135 THR A O 1 ATOM 1090 C CB . THR A 1 138 ? 12.884 -20.537 27.632 1.00 24.35 ? 135 THR A CB 1 ATOM 1091 O OG1 . THR A 1 138 ? 11.474 -20.703 27.799 1.00 18.95 ? 135 THR A OG1 1 ATOM 1092 C CG2 . THR A 1 138 ? 13.616 -20.737 28.959 1.00 25.14 ? 135 THR A CG2 1 ATOM 1093 N N . SER A 1 139 ? 12.482 -19.820 24.729 1.00 23.56 ? 136 SER A N 1 ATOM 1094 C CA . SER A 1 139 ? 11.584 -19.880 23.578 1.00 23.17 ? 136 SER A CA 1 ATOM 1095 C C . SER A 1 139 ? 10.347 -20.715 23.975 1.00 26.68 ? 136 SER A C 1 ATOM 1096 O O . SER A 1 139 ? 10.253 -21.161 25.128 1.00 26.72 ? 136 SER A O 1 ATOM 1097 C CB . SER A 1 139 ? 12.304 -20.517 22.393 1.00 25.89 ? 136 SER A CB 1 ATOM 1098 O OG . SER A 1 139 ? 13.369 -19.696 21.948 1.00 36.56 ? 136 SER A OG 1 ATOM 1099 N N . PHE A 1 140 ? 9.408 -20.936 23.036 1.00 22.73 ? 137 PHE A N 1 ATOM 1100 C CA . PHE A 1 140 ? 8.275 -21.827 23.277 1.00 22.13 ? 137 PHE A CA 1 ATOM 1101 C C . PHE A 1 140 ? 8.834 -23.243 23.209 1.00 26.51 ? 137 PHE A C 1 ATOM 1102 O O . PHE A 1 140 ? 9.264 -23.686 22.137 1.00 26.53 ? 137 PHE A O 1 ATOM 1103 C CB . PHE A 1 140 ? 7.142 -21.609 22.250 1.00 23.48 ? 137 PHE A CB 1 ATOM 1104 C CG . PHE A 1 140 ? 6.399 -20.307 22.404 1.00 25.41 ? 137 PHE A CG 1 ATOM 1105 C CD1 . PHE A 1 140 ? 5.379 -20.176 23.337 1.00 29.11 ? 137 PHE A CD1 1 ATOM 1106 C CD2 . PHE A 1 140 ? 6.716 -19.209 21.615 1.00 27.29 ? 137 PHE A CD2 1 ATOM 1107 C CE1 . PHE A 1 140 ? 4.686 -18.969 23.473 1.00 30.76 ? 137 PHE A CE1 1 ATOM 1108 C CE2 . PHE A 1 140 ? 6.024 -18.001 21.753 1.00 30.58 ? 137 PHE A CE2 1 ATOM 1109 C CZ . PHE A 1 140 ? 5.022 -17.886 22.687 1.00 29.56 ? 137 PHE A CZ 1 ATOM 1110 N N . LEU A 1 141 ? 8.937 -23.910 24.362 1.00 22.49 ? 138 LEU A N 1 ATOM 1111 C CA . LEU A 1 141 ? 9.472 -25.266 24.426 1.00 21.65 ? 138 LEU A CA 1 ATOM 1112 C C . LEU A 1 141 ? 8.353 -26.241 24.135 1.00 24.52 ? 138 LEU A C 1 ATOM 1113 O O . LEU A 1 141 ? 7.276 -26.144 24.732 1.00 24.65 ? 138 LEU A O 1 ATOM 1114 C CB . LEU A 1 141 ? 10.137 -25.542 25.780 1.00 22.28 ? 138 LEU A CB 1 ATOM 1115 C CG . LEU A 1 141 ? 11.450 -24.790 26.023 1.00 27.55 ? 138 LEU A CG 1 ATOM 1116 C CD1 . LEU A 1 141 ? 11.445 -24.112 27.364 1.00 28.27 ? 138 LEU A CD1 1 ATOM 1117 C CD2 . LEU A 1 141 ? 12.633 -25.719 25.916 1.00 31.04 ? 138 LEU A CD2 1 ATOM 1118 N N . SER A 1 142 ? 8.586 -27.143 23.166 1.00 20.54 ? 139 SER A N 1 ATOM 1119 C CA . SER A 1 142 ? 7.606 -28.128 22.707 1.00 20.08 ? 139 SER A CA 1 ATOM 1120 C C . SER A 1 142 ? 7.227 -29.151 23.792 1.00 23.59 ? 139 SER A C 1 ATOM 1121 O O . SER A 1 142 ? 7.992 -29.402 24.726 1.00 23.34 ? 139 SER A O 1 ATOM 1122 C CB . SER A 1 142 ? 8.130 -28.860 21.476 1.00 23.01 ? 139 SER A CB 1 ATOM 1123 O OG . SER A 1 142 ? 9.110 -29.815 21.844 1.00 31.91 ? 139 SER A OG 1 ATOM 1124 N N . LYS A 1 143 ? 6.028 -29.725 23.641 1.00 19.94 ? 140 LYS A N 1 ATOM 1125 C CA . LYS A 1 143 ? 5.445 -30.770 24.489 1.00 19.37 ? 140 LYS A CA 1 ATOM 1126 C C . LYS A 1 143 ? 4.907 -31.880 23.585 1.00 22.57 ? 140 LYS A C 1 ATOM 1127 O O . LYS A 1 143 ? 4.479 -31.582 22.472 1.00 20.90 ? 140 LYS A O 1 ATOM 1128 C CB . LYS A 1 143 ? 4.328 -30.197 25.375 1.00 21.27 ? 140 LYS A CB 1 ATOM 1129 C CG . LYS A 1 143 ? 4.790 -29.251 26.486 1.00 24.00 ? 140 LYS A CG 1 ATOM 1130 C CD . LYS A 1 143 ? 3.608 -28.703 27.301 1.00 24.17 ? 140 LYS A CD 1 ATOM 1131 C CE . LYS A 1 143 ? 2.973 -29.732 28.220 1.00 27.18 ? 140 LYS A CE 1 ATOM 1132 N NZ . LYS A 1 143 ? 1.739 -29.208 28.867 1.00 33.90 1 140 LYS A NZ 1 ATOM 1133 N N . SER A 1 144 ? 4.903 -33.144 24.061 1.00 19.89 ? 141 SER A N 1 ATOM 1134 C CA . SER A 1 144 ? 4.429 -34.320 23.308 1.00 19.87 ? 141 SER A CA 1 ATOM 1135 C C . SER A 1 144 ? 2.952 -34.215 22.857 1.00 24.17 ? 141 SER A C 1 ATOM 1136 O O . SER A 1 144 ? 2.562 -34.893 21.905 1.00 23.56 ? 141 SER A O 1 ATOM 1137 C CB . SER A 1 144 ? 4.613 -35.590 24.133 1.00 24.04 ? 141 SER A CB 1 ATOM 1138 O OG . SER A 1 144 ? 3.660 -35.690 25.181 1.00 35.99 ? 141 SER A OG 1 ATOM 1139 N N . ASP A 1 145 ? 2.134 -33.388 23.554 1.00 21.55 ? 142 ASP A N 1 ATOM 1140 C CA . ASP A 1 145 ? 0.708 -33.198 23.241 1.00 21.86 ? 142 ASP A CA 1 ATOM 1141 C C . ASP A 1 145 ? 0.502 -32.052 22.227 1.00 25.32 ? 142 ASP A C 1 ATOM 1142 O O . ASP A 1 145 ? -0.634 -31.722 21.898 1.00 25.62 ? 142 ASP A O 1 ATOM 1143 C CB . ASP A 1 145 ? -0.122 -32.974 24.529 1.00 24.29 ? 142 ASP A CB 1 ATOM 1144 C CG . ASP A 1 145 ? 0.151 -31.709 25.336 1.00 32.74 ? 142 ASP A CG 1 ATOM 1145 O OD1 . ASP A 1 145 ? 1.039 -30.918 24.933 1.00 30.22 ? 142 ASP A OD1 1 ATOM 1146 O OD2 . ASP A 1 145 ? -0.546 -31.496 26.357 1.00 42.68 -1 142 ASP A OD2 1 ATOM 1147 N N . HIS A 1 146 ? 1.620 -31.453 21.754 1.00 20.47 ? 143 HIS A N 1 ATOM 1148 C CA . HIS A 1 146 ? 1.756 -30.415 20.720 1.00 19.22 ? 143 HIS A CA 1 ATOM 1149 C C . HIS A 1 146 ? 1.336 -29.005 21.205 1.00 22.83 ? 143 HIS A C 1 ATOM 1150 O O . HIS A 1 146 ? 1.179 -28.083 20.392 1.00 22.67 ? 143 HIS A O 1 ATOM 1151 C CB . HIS A 1 146 ? 1.047 -30.819 19.414 1.00 19.84 ? 143 HIS A CB 1 ATOM 1152 C CG . HIS A 1 146 ? 1.497 -32.169 18.921 1.00 23.22 ? 143 HIS A CG 1 ATOM 1153 N ND1 . HIS A 1 146 ? 2.832 -32.542 18.948 1.00 24.49 ? 143 HIS A ND1 1 ATOM 1154 C CD2 . HIS A 1 146 ? 0.769 -33.211 18.455 1.00 25.20 ? 143 HIS A CD2 1 ATOM 1155 C CE1 . HIS A 1 146 ? 2.871 -33.779 18.480 1.00 23.90 ? 143 HIS A CE1 1 ATOM 1156 N NE2 . HIS A 1 146 ? 1.658 -34.218 18.161 1.00 24.68 ? 143 HIS A NE2 1 ATOM 1157 N N . SER A 1 147 ? 1.272 -28.822 22.540 1.00 18.08 ? 144 SER A N 1 ATOM 1158 C CA . SER A 1 147 ? 1.113 -27.525 23.185 1.00 17.25 ? 144 SER A CA 1 ATOM 1159 C C . SER A 1 147 ? 2.548 -27.075 23.537 1.00 20.56 ? 144 SER A C 1 ATOM 1160 O O . SER A 1 147 ? 3.492 -27.783 23.173 1.00 19.78 ? 144 SER A O 1 ATOM 1161 C CB . SER A 1 147 ? 0.193 -27.610 24.403 1.00 20.46 ? 144 SER A CB 1 ATOM 1162 O OG . SER A 1 147 ? 0.790 -28.256 25.516 1.00 26.99 ? 144 SER A OG 1 ATOM 1163 N N . PHE A 1 148 ? 2.732 -25.923 24.204 1.00 17.24 ? 145 PHE A N 1 ATOM 1164 C CA . PHE A 1 148 ? 4.077 -25.448 24.558 1.00 16.61 ? 145 PHE A CA 1 ATOM 1165 C C . PHE A 1 148 ? 4.168 -24.980 26.001 1.00 20.75 ? 145 PHE A C 1 ATOM 1166 O O . PHE A 1 148 ? 3.162 -24.784 26.664 1.00 21.19 ? 145 PHE A O 1 ATOM 1167 C CB . PHE A 1 148 ? 4.513 -24.276 23.650 1.00 17.97 ? 145 PHE A CB 1 ATOM 1168 C CG . PHE A 1 148 ? 4.510 -24.553 22.172 1.00 18.69 ? 145 PHE A CG 1 ATOM 1169 C CD1 . PHE A 1 148 ? 3.355 -24.370 21.414 1.00 21.07 ? 145 PHE A CD1 1 ATOM 1170 C CD2 . PHE A 1 148 ? 5.665 -24.980 21.527 1.00 19.97 ? 145 PHE A CD2 1 ATOM 1171 C CE1 . PHE A 1 148 ? 3.350 -24.625 20.041 1.00 21.24 ? 145 PHE A CE1 1 ATOM 1172 C CE2 . PHE A 1 148 ? 5.662 -25.222 20.150 1.00 21.94 ? 145 PHE A CE2 1 ATOM 1173 C CZ . PHE A 1 148 ? 4.503 -25.039 19.419 1.00 19.93 ? 145 PHE A CZ 1 ATOM 1174 N N . PHE A 1 149 ? 5.391 -24.806 26.483 1.00 16.58 ? 146 PHE A N 1 ATOM 1175 C CA . PHE A 1 149 ? 5.656 -24.211 27.784 1.00 16.56 ? 146 PHE A CA 1 ATOM 1176 C C . PHE A 1 149 ? 6.754 -23.176 27.581 1.00 19.96 ? 146 PHE A C 1 ATOM 1177 O O . PHE A 1 149 ? 7.588 -23.334 26.688 1.00 18.75 ? 146 PHE A O 1 ATOM 1178 C CB . PHE A 1 149 ? 5.978 -25.236 28.885 1.00 18.10 ? 146 PHE A CB 1 ATOM 1179 C CG . PHE A 1 149 ? 7.302 -25.966 28.816 1.00 18.89 ? 146 PHE A CG 1 ATOM 1180 C CD1 . PHE A 1 149 ? 7.424 -27.150 28.100 1.00 20.95 ? 146 PHE A CD1 1 ATOM 1181 C CD2 . PHE A 1 149 ? 8.402 -25.518 29.546 1.00 20.82 ? 146 PHE A CD2 1 ATOM 1182 C CE1 . PHE A 1 149 ? 8.630 -27.857 28.088 1.00 21.08 ? 146 PHE A CE1 1 ATOM 1183 C CE2 . PHE A 1 149 ? 9.608 -26.220 29.525 1.00 22.68 ? 146 PHE A CE2 1 ATOM 1184 C CZ . PHE A 1 149 ? 9.714 -27.387 28.802 1.00 20.15 ? 146 PHE A CZ 1 ATOM 1185 N N . LYS A 1 150 ? 6.679 -22.070 28.326 1.00 16.81 ? 147 LYS A N 1 ATOM 1186 C CA . LYS A 1 150 ? 7.653 -20.986 28.249 1.00 16.59 ? 147 LYS A CA 1 ATOM 1187 C C . LYS A 1 150 ? 8.015 -20.596 29.669 1.00 22.04 ? 147 LYS A C 1 ATOM 1188 O O . LYS A 1 150 ? 7.141 -20.569 30.537 1.00 22.54 ? 147 LYS A O 1 ATOM 1189 C CB . LYS A 1 150 ? 7.109 -19.799 27.428 1.00 18.72 ? 147 LYS A CB 1 ATOM 1190 C CG . LYS A 1 150 ? 8.154 -18.733 27.107 1.00 20.02 ? 147 LYS A CG 1 ATOM 1191 C CD . LYS A 1 150 ? 7.642 -17.681 26.123 1.00 27.42 ? 147 LYS A CD 1 ATOM 1192 C CE . LYS A 1 150 ? 8.241 -17.855 24.750 1.00 36.26 ? 147 LYS A CE 1 ATOM 1193 N NZ . LYS A 1 150 ? 8.181 -16.608 23.955 1.00 44.90 1 147 LYS A NZ 1 ATOM 1194 N N . ILE A 1 151 ? 9.315 -20.371 29.918 1.00 19.01 ? 148 ILE A N 1 ATOM 1195 C CA . ILE A 1 151 ? 9.833 -20.022 31.241 1.00 19.15 ? 148 ILE A CA 1 ATOM 1196 C C . ILE A 1 151 ? 10.444 -18.614 31.218 1.00 23.77 ? 148 ILE A C 1 ATOM 1197 O O . ILE A 1 151 ? 11.359 -18.358 30.435 1.00 23.38 ? 148 ILE A O 1 ATOM 1198 C CB . ILE A 1 151 ? 10.863 -21.075 31.741 1.00 21.26 ? 148 ILE A CB 1 ATOM 1199 C CG1 . ILE A 1 151 ? 10.266 -22.501 31.756 1.00 20.87 ? 148 ILE A CG1 1 ATOM 1200 C CG2 . ILE A 1 151 ? 11.385 -20.683 33.108 1.00 22.65 ? 148 ILE A CG2 1 ATOM 1201 C CD1 . ILE A 1 151 ? 11.236 -23.657 32.149 1.00 24.63 ? 148 ILE A CD1 1 ATOM 1202 N N . SER A 1 152 ? 9.939 -17.716 32.087 1.00 20.61 ? 149 SER A N 1 ATOM 1203 C CA . SER A 1 152 ? 10.455 -16.361 32.244 1.00 20.84 ? 149 SER A CA 1 ATOM 1204 C C . SER A 1 152 ? 11.306 -16.264 33.508 1.00 25.45 ? 149 SER A C 1 ATOM 1205 O O . SER A 1 152 ? 11.044 -16.956 34.496 1.00 24.86 ? 149 SER A O 1 ATOM 1206 C CB . SER A 1 152 ? 9.325 -15.343 32.288 1.00 24.62 ? 149 SER A CB 1 ATOM 1207 O OG . SER A 1 152 ? 9.830 -14.018 32.228 1.00 30.76 ? 149 SER A OG 1 ATOM 1208 N N . TYR A 1 153 ? 12.325 -15.398 33.467 1.00 22.55 ? 150 TYR A N 1 ATOM 1209 C CA . TYR A 1 153 ? 13.289 -15.182 34.540 1.00 22.31 ? 150 TYR A CA 1 ATOM 1210 C C . TYR A 1 153 ? 13.371 -13.730 34.945 1.00 28.05 ? 150 TYR A C 1 ATOM 1211 O O . TYR A 1 153 ? 13.307 -12.839 34.090 1.00 28.91 ? 150 TYR A O 1 ATOM 1212 C CB . TYR A 1 153 ? 14.686 -15.654 34.117 1.00 21.91 ? 150 TYR A CB 1 ATOM 1213 C CG . TYR A 1 153 ? 14.728 -17.086 33.647 1.00 21.08 ? 150 TYR A CG 1 ATOM 1214 C CD1 . TYR A 1 153 ? 14.705 -18.138 34.557 1.00 22.52 ? 150 TYR A CD1 1 ATOM 1215 C CD2 . TYR A 1 153 ? 14.787 -17.395 32.292 1.00 20.88 ? 150 TYR A CD2 1 ATOM 1216 C CE1 . TYR A 1 153 ? 14.743 -19.462 34.132 1.00 21.87 ? 150 TYR A CE1 1 ATOM 1217 C CE2 . TYR A 1 153 ? 14.816 -18.718 31.853 1.00 20.76 ? 150 TYR A CE2 1 ATOM 1218 C CZ . TYR A 1 153 ? 14.801 -19.748 32.780 1.00 25.25 ? 150 TYR A CZ 1 ATOM 1219 O OH . TYR A 1 153 ? 14.844 -21.055 32.376 1.00 22.35 ? 150 TYR A OH 1 ATOM 1220 N N . LEU A 1 154 ? 13.532 -13.502 36.259 1.00 24.66 ? 151 LEU A N 1 ATOM 1221 C CA . LEU A 1 154 ? 13.707 -12.186 36.845 1.00 25.90 ? 151 LEU A CA 1 ATOM 1222 C C . LEU A 1 154 ? 14.838 -12.256 37.863 1.00 30.65 ? 151 LEU A C 1 ATOM 1223 O O . LEU A 1 154 ? 14.663 -12.838 38.942 1.00 30.08 ? 151 LEU A O 1 ATOM 1224 C CB . LEU A 1 154 ? 12.397 -11.647 37.478 1.00 27.00 ? 151 LEU A CB 1 ATOM 1225 C CG . LEU A 1 154 ? 12.504 -10.354 38.337 1.00 33.34 ? 151 LEU A CG 1 ATOM 1226 C CD1 . LEU A 1 154 ? 12.975 -9.152 37.520 1.00 34.13 ? 151 LEU A CD1 1 ATOM 1227 C CD2 . LEU A 1 154 ? 11.204 -10.046 39.031 1.00 36.11 ? 151 LEU A CD2 1 ATOM 1228 N N . THR A 1 155 ? 16.014 -11.694 37.502 1.00 27.97 ? 152 THR A N 1 ATOM 1229 C CA . THR A 1 155 ? 17.167 -11.633 38.406 1.00 28.33 ? 152 THR A CA 1 ATOM 1230 C C . THR A 1 155 ? 16.880 -10.549 39.424 1.00 33.22 ? 152 THR A C 1 ATOM 1231 O O . THR A 1 155 ? 16.286 -9.525 39.073 1.00 33.30 ? 152 THR A O 1 ATOM 1232 C CB . THR A 1 155 ? 18.487 -11.409 37.662 1.00 38.14 ? 152 THR A CB 1 ATOM 1233 O OG1 . THR A 1 155 ? 18.396 -10.226 36.875 1.00 42.84 ? 152 THR A OG1 1 ATOM 1234 C CG2 . THR A 1 155 ? 18.878 -12.588 36.789 1.00 35.95 ? 152 THR A CG2 1 ATOM 1235 N N . PHE A 1 156 ? 17.250 -10.787 40.690 1.00 30.71 ? 153 PHE A N 1 ATOM 1236 C CA . PHE A 1 156 ? 16.977 -9.862 41.796 1.00 32.22 ? 153 PHE A CA 1 ATOM 1237 C C . PHE A 1 156 ? 17.746 -10.235 43.047 1.00 37.35 ? 153 PHE A C 1 ATOM 1238 O O . PHE A 1 156 ? 18.224 -11.365 43.173 1.00 36.09 ? 153 PHE A O 1 ATOM 1239 C CB . PHE A 1 156 ? 15.455 -9.873 42.126 1.00 34.28 ? 153 PHE A CB 1 ATOM 1240 C CG . PHE A 1 156 ? 14.931 -11.100 42.851 1.00 35.14 ? 153 PHE A CG 1 ATOM 1241 C CD1 . PHE A 1 156 ? 15.054 -12.368 42.293 1.00 36.02 ? 153 PHE A CD1 1 ATOM 1242 C CD2 . PHE A 1 156 ? 14.282 -10.980 44.074 1.00 38.65 ? 153 PHE A CD2 1 ATOM 1243 C CE1 . PHE A 1 156 ? 14.590 -13.498 42.973 1.00 36.47 ? 153 PHE A CE1 1 ATOM 1244 C CE2 . PHE A 1 156 ? 13.776 -12.109 44.731 1.00 40.88 ? 153 PHE A CE2 1 ATOM 1245 C CZ . PHE A 1 156 ? 13.949 -13.360 44.184 1.00 37.06 ? 153 PHE A CZ 1 ATOM 1246 N N . LEU A 1 157 ? 17.814 -9.291 43.994 1.00 36.06 ? 154 LEU A N 1 ATOM 1247 C CA . LEU A 1 157 ? 18.357 -9.514 45.324 1.00 36.73 ? 154 LEU A CA 1 ATOM 1248 C C . LEU A 1 157 ? 17.143 -9.499 46.261 1.00 42.97 ? 154 LEU A C 1 ATOM 1249 O O . LEU A 1 157 ? 16.549 -8.429 46.431 1.00 44.50 ? 154 LEU A O 1 ATOM 1250 C CB . LEU A 1 157 ? 19.430 -8.473 45.746 1.00 38.12 ? 154 LEU A CB 1 ATOM 1251 C CG . LEU A 1 157 ? 20.508 -8.008 44.746 1.00 42.55 ? 154 LEU A CG 1 ATOM 1252 C CD1 . LEU A 1 157 ? 21.513 -7.116 45.435 1.00 44.06 ? 154 LEU A CD1 1 ATOM 1253 C CD2 . LEU A 1 157 ? 21.269 -9.159 44.147 1.00 43.41 ? 154 LEU A CD2 1 ATOM 1254 N N . PRO A 1 158 ? 16.680 -10.666 46.786 1.00 39.09 ? 155 PRO A N 1 ATOM 1255 C CA . PRO A 1 158 ? 15.484 -10.659 47.658 1.00 39.88 ? 155 PRO A CA 1 ATOM 1256 C C . PRO A 1 158 ? 15.607 -9.730 48.864 1.00 46.72 ? 155 PRO A C 1 ATOM 1257 O O . PRO A 1 158 ? 16.697 -9.556 49.413 1.00 45.75 ? 155 PRO A O 1 ATOM 1258 C CB . PRO A 1 158 ? 15.349 -12.113 48.118 1.00 40.41 ? 155 PRO A CB 1 ATOM 1259 C CG . PRO A 1 158 ? 16.165 -12.911 47.178 1.00 43.11 ? 155 PRO A CG 1 ATOM 1260 C CD . PRO A 1 158 ? 17.231 -12.028 46.628 1.00 38.88 ? 155 PRO A CD 1 ATOM 1261 N N . SER A 1 159 ? 14.474 -9.113 49.244 1.00 46.47 ? 156 SER A N 1 ATOM 1262 C CA . SER A 1 159 ? 14.344 -8.171 50.361 1.00 49.27 ? 156 SER A CA 1 ATOM 1263 C C . SER A 1 159 ? 12.983 -8.334 51.059 1.00 56.15 ? 156 SER A C 1 ATOM 1264 O O . SER A 1 159 ? 12.012 -8.764 50.428 1.00 55.29 ? 156 SER A O 1 ATOM 1265 C CB . SER A 1 159 ? 14.513 -6.735 49.870 1.00 53.75 ? 156 SER A CB 1 ATOM 1266 O OG . SER A 1 159 ? 13.596 -6.426 48.832 1.00 62.16 ? 156 SER A OG 1 ATOM 1267 N N . ALA A 1 160 ? 12.914 -7.966 52.351 1.00 55.54 ? 157 ALA A N 1 ATOM 1268 C CA . ALA A 1 160 ? 11.706 -8.065 53.179 1.00 57.28 ? 157 ALA A CA 1 ATOM 1269 C C . ALA A 1 160 ? 10.591 -7.066 52.770 1.00 63.79 ? 157 ALA A C 1 ATOM 1270 O O . ALA A 1 160 ? 9.434 -7.254 53.163 1.00 64.41 ? 157 ALA A O 1 ATOM 1271 C CB . ALA A 1 160 ? 12.073 -7.850 54.642 1.00 59.71 ? 157 ALA A CB 1 ATOM 1272 N N . ASP A 1 161 ? 10.935 -6.023 51.986 1.00 61.24 ? 158 ASP A N 1 ATOM 1273 C CA . ASP A 1 161 ? 10.008 -4.964 51.569 1.00 62.67 ? 158 ASP A CA 1 ATOM 1274 C C . ASP A 1 161 ? 9.427 -5.138 50.141 1.00 64.30 ? 158 ASP A C 1 ATOM 1275 O O . ASP A 1 161 ? 8.521 -4.379 49.773 1.00 64.80 ? 158 ASP A O 1 ATOM 1276 C CB . ASP A 1 161 ? 10.690 -3.583 51.686 1.00 66.62 ? 158 ASP A CB 1 ATOM 1277 C CG . ASP A 1 161 ? 12.132 -3.529 51.208 1.00 78.68 ? 158 ASP A CG 1 ATOM 1278 O OD1 . ASP A 1 161 ? 12.365 -3.728 49.987 1.00 78.38 -1 158 ASP A OD1 1 ATOM 1279 O OD2 . ASP A 1 161 ? 13.026 -3.260 52.048 1.00 84.77 ? 158 ASP A OD2 1 ATOM 1280 N N . GLU A 1 162 ? 9.913 -6.128 49.355 1.00 57.79 ? 159 GLU A N 1 ATOM 1281 C CA . GLU A 1 162 ? 9.419 -6.337 47.993 1.00 55.73 ? 159 GLU A CA 1 ATOM 1282 C C . GLU A 1 162 ? 8.741 -7.699 47.801 1.00 55.82 ? 159 GLU A C 1 ATOM 1283 O O . GLU A 1 162 ? 9.284 -8.741 48.177 1.00 54.07 ? 159 GLU A O 1 ATOM 1284 C CB . GLU A 1 162 ? 10.538 -6.162 46.958 1.00 56.11 ? 159 GLU A CB 1 ATOM 1285 C CG . GLU A 1 162 ? 10.887 -4.712 46.672 1.00 70.14 ? 159 GLU A CG 1 ATOM 1286 C CD . GLU A 1 162 ? 12.161 -4.509 45.877 1.00 93.73 ? 159 GLU A CD 1 ATOM 1287 O OE1 . GLU A 1 162 ? 12.236 -5.009 44.731 1.00 85.27 ? 159 GLU A OE1 1 ATOM 1288 O OE2 . GLU A 1 162 ? 13.082 -3.837 46.396 1.00 90.15 ? 159 GLU A OE2 1 ATOM 1289 N N . ILE A 1 163 ? 7.543 -7.659 47.192 1.00 50.93 ? 160 ILE A N 1 ATOM 1290 C CA . ILE A 1 163 ? 6.693 -8.802 46.835 1.00 48.90 ? 160 ILE A CA 1 ATOM 1291 C C . ILE A 1 163 ? 6.508 -8.782 45.313 1.00 49.03 ? 160 ILE A C 1 ATOM 1292 O O . ILE A 1 163 ? 6.336 -7.708 44.725 1.00 49.12 ? 160 ILE A O 1 ATOM 1293 C CB . ILE A 1 163 ? 5.344 -8.822 47.618 1.00 53.61 ? 160 ILE A CB 1 ATOM 1294 C CG1 . ILE A 1 163 ? 4.563 -7.480 47.491 1.00 55.80 ? 160 ILE A CG1 1 ATOM 1295 C CG2 . ILE A 1 163 ? 5.585 -9.203 49.091 1.00 54.97 ? 160 ILE A CG2 1 ATOM 1296 C CD1 . ILE A 1 163 ? 3.055 -7.549 47.790 1.00 63.16 ? 160 ILE A CD1 1 ATOM 1297 N N . TYR A 1 164 ? 6.590 -9.959 44.670 1.00 42.06 ? 161 TYR A N 1 ATOM 1298 C CA . TYR A 1 164 ? 6.534 -10.050 43.211 1.00 39.46 ? 161 TYR A CA 1 ATOM 1299 C C . TYR A 1 164 ? 5.330 -10.796 42.665 1.00 42.30 ? 161 TYR A C 1 ATOM 1300 O O . TYR A 1 164 ? 4.724 -11.618 43.346 1.00 42.28 ? 161 TYR A O 1 ATOM 1301 C CB . TYR A 1 164 ? 7.806 -10.716 42.673 1.00 38.40 ? 161 TYR A CB 1 ATOM 1302 C CG . TYR A 1 164 ? 9.069 -9.969 43.029 1.00 40.07 ? 161 TYR A CG 1 ATOM 1303 C CD1 . TYR A 1 164 ? 9.520 -8.910 42.248 1.00 42.09 ? 161 TYR A CD1 1 ATOM 1304 C CD2 . TYR A 1 164 ? 9.811 -10.314 44.153 1.00 41.21 ? 161 TYR A CD2 1 ATOM 1305 C CE1 . TYR A 1 164 ? 10.678 -8.209 42.581 1.00 43.37 ? 161 TYR A CE1 1 ATOM 1306 C CE2 . TYR A 1 164 ? 10.966 -9.618 44.497 1.00 42.88 ? 161 TYR A CE2 1 ATOM 1307 C CZ . TYR A 1 164 ? 11.398 -8.567 43.708 1.00 51.06 ? 161 TYR A CZ 1 ATOM 1308 O OH . TYR A 1 164 ? 12.543 -7.885 44.046 1.00 54.06 ? 161 TYR A OH 1 ATOM 1309 N N . ASP A 1 165 ? 5.015 -10.507 41.399 1.00 38.38 ? 162 ASP A N 1 ATOM 1310 C CA . ASP A 1 165 ? 3.944 -11.127 40.630 1.00 37.30 ? 162 ASP A CA 1 ATOM 1311 C C . ASP A 1 165 ? 4.392 -11.388 39.203 1.00 38.46 ? 162 ASP A C 1 ATOM 1312 O O . ASP A 1 165 ? 5.168 -10.614 38.636 1.00 36.73 ? 162 ASP A O 1 ATOM 1313 C CB . ASP A 1 165 ? 2.674 -10.261 40.626 1.00 40.55 ? 162 ASP A CB 1 ATOM 1314 C CG . ASP A 1 165 ? 1.972 -10.214 41.960 1.00 51.50 ? 162 ASP A CG 1 ATOM 1315 O OD1 . ASP A 1 165 ? 2.322 -9.341 42.780 1.00 54.15 -1 162 ASP A OD1 1 ATOM 1316 O OD2 . ASP A 1 165 ? 1.078 -11.058 42.190 1.00 56.20 ? 162 ASP A OD2 1 ATOM 1317 N N . CYS A 1 166 ? 3.886 -12.483 38.628 1.00 34.59 ? 163 CYS A N 1 ATOM 1318 C CA . CYS A 1 166 ? 4.122 -12.864 37.243 1.00 33.17 ? 163 CYS A CA 1 ATOM 1319 C C . CYS A 1 166 ? 2.802 -12.690 36.473 1.00 34.85 ? 163 CYS A C 1 ATOM 1320 O O . CYS A 1 166 ? 1.879 -13.485 36.655 1.00 33.81 ? 163 CYS A O 1 ATOM 1321 C CB . CYS A 1 166 ? 4.660 -14.291 37.155 1.00 32.85 ? 163 CYS A CB 1 ATOM 1322 S SG . CYS A 1 166 ? 5.090 -14.819 35.477 1.00 35.76 ? 163 CYS A SG 1 ATOM 1323 N N . LYS A 1 167 ? 2.683 -11.605 35.682 1.00 31.19 ? 164 LYS A N 1 ATOM 1324 C CA . LYS A 1 167 ? 1.485 -11.314 34.881 1.00 30.91 ? 164 LYS A CA 1 ATOM 1325 C C . LYS A 1 167 ? 1.566 -12.033 33.518 1.00 33.25 ? 164 LYS A C 1 ATOM 1326 O O . LYS A 1 167 ? 2.493 -11.805 32.732 1.00 31.44 ? 164 LYS A O 1 ATOM 1327 C CB . LYS A 1 167 ? 1.281 -9.800 34.696 1.00 34.17 ? 164 LYS A CB 1 ATOM 1328 N N . VAL A 1 168 ? 0.594 -12.919 33.259 1.00 29.92 ? 165 VAL A N 1 ATOM 1329 C CA . VAL A 1 168 ? 0.540 -13.712 32.032 1.00 28.41 ? 165 VAL A CA 1 ATOM 1330 C C . VAL A 1 168 ? -0.744 -13.382 31.257 1.00 33.43 ? 165 VAL A C 1 ATOM 1331 O O . VAL A 1 168 ? -1.850 -13.516 31.784 1.00 33.23 ? 165 VAL A O 1 ATOM 1332 C CB . VAL A 1 168 ? 0.678 -15.228 32.325 1.00 30.75 ? 165 VAL A CB 1 ATOM 1333 C CG1 . VAL A 1 168 ? 0.593 -16.057 31.043 1.00 29.24 ? 165 VAL A CG1 1 ATOM 1334 C CG2 . VAL A 1 168 ? 1.980 -15.519 33.068 1.00 30.15 ? 165 VAL A CG2 1 ATOM 1335 N N . GLU A 1 169 ? -0.575 -12.933 30.005 1.00 30.68 ? 166 GLU A N 1 ATOM 1336 C CA . GLU A 1 169 ? -1.685 -12.590 29.122 1.00 31.56 ? 166 GLU A CA 1 ATOM 1337 C C . GLU A 1 169 ? -1.724 -13.576 27.970 1.00 34.49 ? 166 GLU A C 1 ATOM 1338 O O . GLU A 1 169 ? -0.742 -13.707 27.233 1.00 33.31 ? 166 GLU A O 1 ATOM 1339 C CB . GLU A 1 169 ? -1.576 -11.143 28.604 1.00 33.98 ? 166 GLU A CB 1 ATOM 1340 C CG . GLU A 1 169 ? -1.664 -10.074 29.675 1.00 48.88 ? 166 GLU A CG 1 ATOM 1341 C CD . GLU A 1 169 ? -1.427 -8.679 29.134 1.00 79.31 ? 166 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 169 ? -0.244 -8.289 28.998 1.00 74.89 ? 166 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 169 ? -2.421 -7.988 28.813 1.00 80.54 -1 166 GLU A OE2 1 ATOM 1344 N N . HIS A 1 170 ? -2.853 -14.286 27.838 1.00 30.95 ? 167 HIS A N 1 ATOM 1345 C CA . HIS A 1 170 ? -3.108 -15.280 26.795 1.00 29.93 ? 167 HIS A CA 1 ATOM 1346 C C . HIS A 1 170 ? -4.580 -15.210 26.346 1.00 36.40 ? 167 HIS A C 1 ATOM 1347 O O . HIS A 1 170 ? -5.439 -14.814 27.137 1.00 37.90 ? 167 HIS A O 1 ATOM 1348 C CB . HIS A 1 170 ? -2.750 -16.687 27.303 1.00 29.49 ? 167 HIS A CB 1 ATOM 1349 C CG . HIS A 1 170 ? -2.690 -17.714 26.219 1.00 31.38 ? 167 HIS A CG 1 ATOM 1350 N ND1 . HIS A 1 170 ? -3.816 -18.405 25.819 1.00 32.97 ? 167 HIS A ND1 1 ATOM 1351 C CD2 . HIS A 1 170 ? -1.639 -18.123 25.475 1.00 31.76 ? 167 HIS A CD2 1 ATOM 1352 C CE1 . HIS A 1 170 ? -3.418 -19.204 24.845 1.00 31.24 ? 167 HIS A CE1 1 ATOM 1353 N NE2 . HIS A 1 170 ? -2.116 -19.070 24.606 1.00 30.79 ? 167 HIS A NE2 1 ATOM 1354 N N . TRP A 1 171 ? -4.868 -15.591 25.085 1.00 33.00 ? 168 TRP A N 1 ATOM 1355 C CA . TRP A 1 171 ? -6.222 -15.579 24.506 1.00 33.94 ? 168 TRP A CA 1 ATOM 1356 C C . TRP A 1 171 ? -7.161 -16.598 25.182 1.00 37.40 ? 168 TRP A C 1 ATOM 1357 O O . TRP A 1 171 ? -8.387 -16.445 25.107 1.00 37.16 ? 168 TRP A O 1 ATOM 1358 C CB . TRP A 1 171 ? -6.176 -15.841 22.987 1.00 32.49 ? 168 TRP A CB 1 ATOM 1359 C CG . TRP A 1 171 ? -5.434 -14.804 22.187 1.00 33.71 ? 168 TRP A CG 1 ATOM 1360 C CD1 . TRP A 1 171 ? -5.382 -13.458 22.423 1.00 37.68 ? 168 TRP A CD1 1 ATOM 1361 C CD2 . TRP A 1 171 ? -4.693 -15.028 20.980 1.00 32.57 ? 168 TRP A CD2 1 ATOM 1362 N NE1 . TRP A 1 171 ? -4.614 -12.838 21.465 1.00 36.86 ? 168 TRP A NE1 1 ATOM 1363 C CE2 . TRP A 1 171 ? -4.179 -13.778 20.564 1.00 37.05 ? 168 TRP A CE2 1 ATOM 1364 C CE3 . TRP A 1 171 ? -4.386 -16.172 20.221 1.00 32.71 ? 168 TRP A CE3 1 ATOM 1365 C CZ2 . TRP A 1 171 ? -3.387 -13.638 19.417 1.00 35.70 ? 168 TRP A CZ2 1 ATOM 1366 C CZ3 . TRP A 1 171 ? -3.598 -16.033 19.089 1.00 33.48 ? 168 TRP A CZ3 1 ATOM 1367 C CH2 . TRP A 1 171 ? -3.103 -14.783 18.700 1.00 34.55 ? 168 TRP A CH2 1 ATOM 1368 N N . GLY A 1 172 ? -6.572 -17.615 25.822 1.00 33.41 ? 169 GLY A N 1 ATOM 1369 C CA . GLY A 1 172 ? -7.284 -18.656 26.559 1.00 33.64 ? 169 GLY A CA 1 ATOM 1370 C C . GLY A 1 172 ? -7.701 -18.223 27.956 1.00 39.25 ? 169 GLY A C 1 ATOM 1371 O O . GLY A 1 172 ? -8.347 -18.986 28.680 1.00 39.02 ? 169 GLY A O 1 ATOM 1372 N N . LEU A 1 173 ? -7.307 -16.996 28.344 1.00 36.99 ? 170 LEU A N 1 ATOM 1373 C CA . LEU A 1 173 ? -7.631 -16.352 29.618 1.00 38.57 ? 170 LEU A CA 1 ATOM 1374 C C . LEU A 1 173 ? -8.546 -15.159 29.350 1.00 45.60 ? 170 LEU A C 1 ATOM 1375 O O . LEU A 1 173 ? -8.347 -14.443 28.362 1.00 44.60 ? 170 LEU A O 1 ATOM 1376 C CB . LEU A 1 173 ? -6.358 -15.885 30.369 1.00 38.09 ? 170 LEU A CB 1 ATOM 1377 C CG . LEU A 1 173 ? -5.278 -16.916 30.710 1.00 41.24 ? 170 LEU A CG 1 ATOM 1378 C CD1 . LEU A 1 173 ? -3.982 -16.224 31.107 1.00 41.04 ? 170 LEU A CD1 1 ATOM 1379 C CD2 . LEU A 1 173 ? -5.721 -17.852 31.824 1.00 43.49 ? 170 LEU A CD2 1 ATOM 1380 N N . ASP A 1 174 ? -9.542 -14.944 30.221 1.00 45.65 ? 171 ASP A N 1 ATOM 1381 C CA . ASP A 1 174 ? -10.480 -13.824 30.098 1.00 47.84 ? 171 ASP A CA 1 ATOM 1382 C C . ASP A 1 174 ? -9.815 -12.543 30.598 1.00 52.82 ? 171 ASP A C 1 ATOM 1383 O O . ASP A 1 174 ? -10.018 -11.467 30.028 1.00 53.47 ? 171 ASP A O 1 ATOM 1384 C CB . ASP A 1 174 ? -11.772 -14.102 30.882 1.00 51.80 ? 171 ASP A CB 1 ATOM 1385 C CG . ASP A 1 174 ? -12.417 -15.435 30.560 1.00 66.62 ? 171 ASP A CG 1 ATOM 1386 O OD1 . ASP A 1 174 ? -13.021 -15.556 29.465 1.00 67.70 ? 171 ASP A OD1 1 ATOM 1387 O OD2 . ASP A 1 174 ? -12.329 -16.354 31.405 1.00 73.66 -1 171 ASP A OD2 1 ATOM 1388 N N . GLU A 1 175 ? -9.010 -12.681 31.661 1.00 48.72 ? 172 GLU A N 1 ATOM 1389 C CA . GLU A 1 175 ? -8.268 -11.606 32.304 1.00 48.82 ? 172 GLU A CA 1 ATOM 1390 C C . GLU A 1 175 ? -6.814 -12.036 32.494 1.00 49.81 ? 172 GLU A C 1 ATOM 1391 O O . GLU A 1 175 ? -6.563 -13.244 32.539 1.00 47.60 ? 172 GLU A O 1 ATOM 1392 C CB . GLU A 1 175 ? -8.917 -11.269 33.662 1.00 52.08 ? 172 GLU A CB 1 ATOM 1393 N N . PRO A 1 176 ? -5.844 -11.096 32.636 1.00 46.19 ? 173 PRO A N 1 ATOM 1394 C CA . PRO A 1 176 ? -4.448 -11.516 32.864 1.00 44.65 ? 173 PRO A CA 1 ATOM 1395 C C . PRO A 1 176 ? -4.293 -12.287 34.175 1.00 48.69 ? 173 PRO A C 1 ATOM 1396 O O . PRO A 1 176 ? -4.864 -11.894 35.196 1.00 49.56 ? 173 PRO A O 1 ATOM 1397 C CB . PRO A 1 176 ? -3.672 -10.191 32.908 1.00 46.85 ? 173 PRO A CB 1 ATOM 1398 C CG . PRO A 1 176 ? -4.560 -9.191 32.271 1.00 52.32 ? 173 PRO A CG 1 ATOM 1399 C CD . PRO A 1 176 ? -5.951 -9.624 32.611 1.00 48.91 ? 173 PRO A CD 1 ATOM 1400 N N . LEU A 1 177 ? -3.563 -13.410 34.125 1.00 43.80 ? 174 LEU A N 1 ATOM 1401 C CA . LEU A 1 177 ? -3.314 -14.260 35.283 1.00 43.52 ? 174 LEU A CA 1 ATOM 1402 C C . LEU A 1 177 ? -2.125 -13.714 36.064 1.00 46.84 ? 174 LEU A C 1 ATOM 1403 O O . LEU A 1 177 ? -1.036 -13.536 35.508 1.00 45.72 ? 174 LEU A O 1 ATOM 1404 C CB . LEU A 1 177 ? -3.061 -15.716 34.840 1.00 42.16 ? 174 LEU A CB 1 ATOM 1405 C CG . LEU A 1 177 ? -3.345 -16.836 35.854 1.00 47.29 ? 174 LEU A CG 1 ATOM 1406 C CD1 . LEU A 1 177 ? -3.592 -18.150 35.139 1.00 46.29 ? 174 LEU A CD1 1 ATOM 1407 C CD2 . LEU A 1 177 ? -2.187 -17.024 36.829 1.00 50.03 ? 174 LEU A CD2 1 ATOM 1408 N N . LEU A 1 178 ? -2.347 -13.435 37.349 1.00 43.87 ? 175 LEU A N 1 ATOM 1409 C CA . LEU A 1 178 ? -1.313 -12.934 38.244 1.00 44.17 ? 175 LEU A CA 1 ATOM 1410 C C . LEU A 1 178 ? -0.973 -13.997 39.283 1.00 47.16 ? 175 LEU A C 1 ATOM 1411 O O . LEU A 1 178 ? -1.849 -14.418 40.048 1.00 48.30 ? 175 LEU A O 1 ATOM 1412 C CB . LEU A 1 178 ? -1.751 -11.619 38.918 1.00 46.38 ? 175 LEU A CB 1 ATOM 1413 C CG . LEU A 1 178 ? -1.123 -10.337 38.371 1.00 51.40 ? 175 LEU A CG 1 ATOM 1414 C CD1 . LEU A 1 178 ? -1.857 -9.844 37.125 1.00 51.50 ? 175 LEU A CD1 1 ATOM 1415 C CD2 . LEU A 1 178 ? -1.126 -9.256 39.424 1.00 55.95 ? 175 LEU A CD2 1 ATOM 1416 N N . LYS A 1 179 ? 0.291 -14.465 39.267 1.00 41.01 ? 176 LYS A N 1 ATOM 1417 C CA . LYS A 1 179 ? 0.794 -15.473 40.196 1.00 39.86 ? 176 LYS A CA 1 ATOM 1418 C C . LYS A 1 179 ? 1.822 -14.813 41.109 1.00 43.86 ? 176 LYS A C 1 ATOM 1419 O O . LYS A 1 179 ? 2.852 -14.325 40.646 1.00 42.40 ? 176 LYS A O 1 ATOM 1420 C CB . LYS A 1 179 ? 1.360 -16.686 39.443 1.00 40.11 ? 176 LYS A CB 1 ATOM 1421 C CG . LYS A 1 179 ? 1.209 -18.000 40.204 1.00 49.67 ? 176 LYS A CG 1 ATOM 1422 C CD . LYS A 1 179 ? -0.150 -18.658 39.967 1.00 56.48 ? 176 LYS A CD 1 ATOM 1423 C CE . LYS A 1 179 ? -0.344 -19.895 40.807 1.00 66.05 ? 176 LYS A CE 1 ATOM 1424 N NZ . LYS A 1 179 ? -1.479 -20.714 40.307 1.00 77.50 ? 176 LYS A NZ 1 ATOM 1425 N N . HIS A 1 180 ? 1.491 -14.740 42.399 1.00 42.48 ? 177 HIS A N 1 ATOM 1426 C CA . HIS A 1 180 ? 2.271 -14.067 43.433 1.00 43.39 ? 177 HIS A CA 1 ATOM 1427 C C . HIS A 1 180 ? 3.358 -14.943 44.024 1.00 46.36 ? 177 HIS A C 1 ATOM 1428 O O . HIS A 1 180 ? 3.185 -16.151 44.176 1.00 45.36 ? 177 HIS A O 1 ATOM 1429 C CB . HIS A 1 180 ? 1.335 -13.591 44.556 1.00 46.30 ? 177 HIS A CB 1 ATOM 1430 C CG . HIS A 1 180 ? 1.939 -12.568 45.470 1.00 51.47 ? 177 HIS A CG 1 ATOM 1431 N ND1 . HIS A 1 180 ? 2.614 -12.937 46.626 1.00 53.85 ? 177 HIS A ND1 1 ATOM 1432 C CD2 . HIS A 1 180 ? 1.932 -11.217 45.383 1.00 54.65 ? 177 HIS A CD2 1 ATOM 1433 C CE1 . HIS A 1 180 ? 3.000 -11.806 47.194 1.00 54.72 ? 177 HIS A CE1 1 ATOM 1434 N NE2 . HIS A 1 180 ? 2.611 -10.745 46.486 1.00 55.63 ? 177 HIS A NE2 1 ATOM 1435 N N . TRP A 1 181 ? 4.475 -14.303 44.377 1.00 43.64 ? 178 TRP A N 1 ATOM 1436 C CA . TRP A 1 181 ? 5.627 -14.885 45.049 1.00 43.29 ? 178 TRP A CA 1 ATOM 1437 C C . TRP A 1 181 ? 6.176 -13.874 46.051 1.00 49.78 ? 178 TRP A C 1 ATOM 1438 O O . TRP A 1 181 ? 6.210 -12.674 45.765 1.00 50.13 ? 178 TRP A O 1 ATOM 1439 C CB . TRP A 1 181 ? 6.707 -15.304 44.050 1.00 40.20 ? 178 TRP A CB 1 ATOM 1440 C CG . TRP A 1 181 ? 7.864 -16.029 44.676 1.00 40.46 ? 178 TRP A CG 1 ATOM 1441 C CD1 . TRP A 1 181 ? 8.032 -17.380 44.766 1.00 42.31 ? 178 TRP A CD1 1 ATOM 1442 C CD2 . TRP A 1 181 ? 9.018 -15.438 45.298 1.00 40.74 ? 178 TRP A CD2 1 ATOM 1443 N NE1 . TRP A 1 181 ? 9.228 -17.671 45.380 1.00 41.41 ? 178 TRP A NE1 1 ATOM 1444 C CE2 . TRP A 1 181 ? 9.849 -16.496 45.729 1.00 43.73 ? 178 TRP A CE2 1 ATOM 1445 C CE3 . TRP A 1 181 ? 9.453 -14.115 45.494 1.00 43.00 ? 178 TRP A CE3 1 ATOM 1446 C CZ2 . TRP A 1 181 ? 11.071 -16.272 46.373 1.00 43.25 ? 178 TRP A CZ2 1 ATOM 1447 C CZ3 . TRP A 1 181 ? 10.658 -13.895 46.140 1.00 44.79 ? 178 TRP A CZ3 1 ATOM 1448 C CH2 . TRP A 1 181 ? 11.458 -14.964 46.563 1.00 44.62 ? 178 TRP A CH2 1 ATOM 1449 N N . GLU A 1 182 ? 6.614 -14.357 47.217 1.00 47.97 ? 179 GLU A N 1 ATOM 1450 C CA . GLU A 1 182 ? 7.193 -13.512 48.261 1.00 50.17 ? 179 GLU A CA 1 ATOM 1451 C C . GLU A 1 182 ? 8.246 -14.300 49.073 1.00 54.61 ? 179 GLU A C 1 ATOM 1452 O O . GLU A 1 182 ? 8.110 -15.521 49.221 1.00 53.63 ? 179 GLU A O 1 ATOM 1453 C CB . GLU A 1 182 ? 6.104 -12.903 49.177 1.00 53.95 ? 179 GLU A CB 1 ATOM 1454 C CG . GLU A 1 182 ? 5.125 -13.888 49.807 1.00 67.56 ? 179 GLU A CG 1 ATOM 1455 C CD . GLU A 1 182 ? 3.888 -13.275 50.441 1.00 91.01 ? 179 GLU A CD 1 ATOM 1456 O OE1 . GLU A 1 182 ? 4.018 -12.256 51.158 1.00 86.96 ? 179 GLU A OE1 1 ATOM 1457 O OE2 . GLU A 1 182 ? 2.788 -13.842 50.248 1.00 85.02 -1 179 GLU A OE2 1 ATOM 1458 N N . PRO A 1 183 ? 9.319 -13.636 49.572 1.00 52.15 ? 180 PRO A N 1 ATOM 1459 C CA . PRO A 1 183 ? 10.329 -14.366 50.358 1.00 55.80 ? 180 PRO A CA 1 ATOM 1460 C C . PRO A 1 183 ? 9.853 -14.634 51.786 1.00 84.56 ? 180 PRO A C 1 ATOM 1461 O O . PRO A 1 183 ? 9.399 -15.734 52.096 1.00 48.54 ? 180 PRO A O 1 ATOM 1462 C CB . PRO A 1 183 ? 11.547 -13.428 50.347 1.00 57.37 ? 180 PRO A CB 1 ATOM 1463 C CG . PRO A 1 183 ? 11.141 -12.203 49.560 1.00 60.96 ? 180 PRO A CG 1 ATOM 1464 C CD . PRO A 1 183 ? 9.654 -12.201 49.482 1.00 56.07 ? 180 PRO A CD 1 ATOM 1465 N N . ASP B 2 32 ? -14.807 -12.921 21.570 1.00 55.20 ? 2 ASP B N 1 ATOM 1466 C CA . ASP B 2 32 ? -13.839 -12.081 20.870 1.00 54.11 ? 2 ASP B CA 1 ATOM 1467 C C . ASP B 2 32 ? -12.398 -12.528 21.175 1.00 54.79 ? 2 ASP B C 1 ATOM 1468 O O . ASP B 2 32 ? -11.935 -12.413 22.317 1.00 55.08 ? 2 ASP B O 1 ATOM 1469 C CB . ASP B 2 32 ? -14.042 -10.600 21.237 1.00 57.57 ? 2 ASP B CB 1 ATOM 1470 N N . SER B 2 33 ? -11.705 -13.058 20.147 1.00 47.63 ? 3 SER B N 1 ATOM 1471 C CA . SER B 2 33 ? -10.322 -13.549 20.208 1.00 44.78 ? 3 SER B CA 1 ATOM 1472 C C . SER B 2 33 ? -9.716 -13.637 18.794 1.00 45.58 ? 3 SER B C 1 ATOM 1473 O O . SER B 2 33 ? -10.405 -14.089 17.870 1.00 45.30 ? 3 SER B O 1 ATOM 1474 C CB . SER B 2 33 ? -10.259 -14.917 20.890 1.00 47.60 ? 3 SER B CB 1 ATOM 1475 O OG . SER B 2 33 ? -8.940 -15.439 20.922 1.00 55.52 ? 3 SER B OG 1 ATOM 1476 N N . PRO B 2 34 ? -8.432 -13.241 18.605 1.00 39.26 ? 4 PRO B N 1 ATOM 1477 C CA . PRO B 2 34 ? -7.828 -13.308 17.260 1.00 37.39 ? 4 PRO B CA 1 ATOM 1478 C C . PRO B 2 34 ? -7.673 -14.731 16.743 1.00 38.26 ? 4 PRO B C 1 ATOM 1479 O O . PRO B 2 34 ? -7.257 -15.617 17.488 1.00 38.32 ? 4 PRO B O 1 ATOM 1480 C CB . PRO B 2 34 ? -6.453 -12.653 17.449 1.00 38.66 ? 4 PRO B CB 1 ATOM 1481 C CG . PRO B 2 34 ? -6.565 -11.873 18.707 1.00 44.72 ? 4 PRO B CG 1 ATOM 1482 C CD . PRO B 2 34 ? -7.486 -12.666 19.577 1.00 40.65 ? 4 PRO B CD 1 ATOM 1483 N N . GLU B 2 35 ? -7.990 -14.929 15.471 1.00 32.74 ? 5 GLU B N 1 ATOM 1484 C CA . GLU B 2 35 ? -7.852 -16.200 14.761 1.00 30.79 ? 5 GLU B CA 1 ATOM 1485 C C . GLU B 2 35 ? -6.390 -16.565 14.457 1.00 31.12 ? 5 GLU B C 1 ATOM 1486 O O . GLU B 2 35 ? -5.601 -15.718 14.151 1.00 30.23 ? 5 GLU B O 1 ATOM 1487 C CB . GLU B 2 35 ? -8.654 -16.135 13.470 1.00 32.65 ? 5 GLU B CB 1 ATOM 1488 C CG . GLU B 2 35 ? -8.813 -17.440 12.735 1.00 44.41 ? 5 GLU B CG 1 ATOM 1489 C CD . GLU B 2 35 ? -9.802 -17.349 11.585 1.00 70.75 ? 5 GLU B CD 1 ATOM 1490 O OE1 . GLU B 2 35 ? -9.542 -16.621 10.628 1.00 69.35 ? 5 GLU B OE1 1 ATOM 1491 O OE2 . GLU B 2 35 ? -10.851 -17.987 11.639 1.00 67.10 -1 5 GLU B OE2 1 ATOM 1492 N N . ASP B 2 36 ? -6.035 -17.821 14.629 1.00 25.16 ? 6 ASP B N 1 ATOM 1493 C CA . ASP B 2 36 ? -4.690 -18.277 14.382 1.00 22.94 ? 6 ASP B CA 1 ATOM 1494 C C . ASP B 2 36 ? -4.696 -19.638 13.743 1.00 25.52 ? 6 ASP B C 1 ATOM 1495 O O . ASP B 2 36 ? -5.393 -20.523 14.160 1.00 25.64 ? 6 ASP B O 1 ATOM 1496 C CB . ASP B 2 36 ? -3.857 -18.291 15.686 1.00 23.70 ? 6 ASP B CB 1 ATOM 1497 C CG . ASP B 2 36 ? -2.348 -18.326 15.460 1.00 25.83 ? 6 ASP B CG 1 ATOM 1498 O OD1 . ASP B 2 36 ? -1.884 -18.154 14.367 1.00 24.71 ? 6 ASP B OD1 1 ATOM 1499 O OD2 . ASP B 2 36 ? -1.624 -18.502 16.406 1.00 27.88 -1 6 ASP B OD2 1 ATOM 1500 N N . PHE B 2 37 ? -3.856 -19.780 12.746 1.00 20.22 ? 7 PHE B N 1 ATOM 1501 C CA . PHE B 2 37 ? -3.558 -21.036 12.135 1.00 18.80 ? 7 PHE B CA 1 ATOM 1502 C C . PHE B 2 37 ? -2.090 -21.363 12.397 1.00 20.42 ? 7 PHE B C 1 ATOM 1503 O O . PHE B 2 37 ? -1.217 -20.589 12.119 1.00 19.71 ? 7 PHE B O 1 ATOM 1504 C CB . PHE B 2 37 ? -3.889 -20.959 10.656 1.00 20.93 ? 7 PHE B CB 1 ATOM 1505 C CG . PHE B 2 37 ? -5.331 -20.679 10.372 1.00 23.17 ? 7 PHE B CG 1 ATOM 1506 C CD1 . PHE B 2 37 ? -6.253 -21.675 10.435 1.00 26.31 ? 7 PHE B CD1 1 ATOM 1507 C CD2 . PHE B 2 37 ? -5.756 -19.425 10.050 1.00 25.54 ? 7 PHE B CD2 1 ATOM 1508 C CE1 . PHE B 2 37 ? -7.576 -21.435 10.182 1.00 28.18 ? 7 PHE B CE1 1 ATOM 1509 C CE2 . PHE B 2 37 ? -7.077 -19.172 9.810 1.00 29.44 ? 7 PHE B CE2 1 ATOM 1510 C CZ . PHE B 2 37 ? -7.989 -20.183 9.874 1.00 27.81 ? 7 PHE B CZ 1 ATOM 1511 N N . VAL B 2 38 ? -1.861 -22.524 12.969 1.00 15.23 ? 8 VAL B N 1 ATOM 1512 C CA . VAL B 2 38 ? -0.574 -22.929 13.480 1.00 13.63 ? 8 VAL B CA 1 ATOM 1513 C C . VAL B 2 38 ? -0.058 -24.164 12.746 1.00 17.25 ? 8 VAL B C 1 ATOM 1514 O O . VAL B 2 38 ? -0.783 -25.078 12.513 1.00 16.48 ? 8 VAL B O 1 ATOM 1515 C CB . VAL B 2 38 ? -0.642 -23.215 14.994 1.00 16.73 ? 8 VAL B CB 1 ATOM 1516 C CG1 . VAL B 2 38 ? 0.711 -23.563 15.558 1.00 15.44 ? 8 VAL B CG1 1 ATOM 1517 C CG2 . VAL B 2 38 ? -1.229 -22.049 15.747 1.00 16.99 ? 8 VAL B CG2 1 ATOM 1518 N N . TYR B 2 39 ? 1.198 -24.144 12.352 1.00 13.80 ? 9 TYR B N 1 ATOM 1519 C CA . TYR B 2 39 ? 1.867 -25.286 11.783 1.00 12.91 ? 9 TYR B CA 1 ATOM 1520 C C . TYR B 2 39 ? 3.106 -25.717 12.565 1.00 17.73 ? 9 TYR B C 1 ATOM 1521 O O . TYR B 2 39 ? 3.938 -24.922 12.887 1.00 17.63 ? 9 TYR B O 1 ATOM 1522 C CB . TYR B 2 39 ? 2.194 -25.022 10.303 1.00 13.50 ? 9 TYR B CB 1 ATOM 1523 C CG . TYR B 2 39 ? 2.460 -26.232 9.458 1.00 13.97 ? 9 TYR B CG 1 ATOM 1524 C CD1 . TYR B 2 39 ? 3.690 -26.823 9.444 1.00 14.68 ? 9 TYR B CD1 1 ATOM 1525 C CD2 . TYR B 2 39 ? 1.481 -26.781 8.686 1.00 15.17 ? 9 TYR B CD2 1 ATOM 1526 C CE1 . TYR B 2 39 ? 3.937 -27.922 8.691 1.00 14.10 ? 9 TYR B CE1 1 ATOM 1527 C CE2 . TYR B 2 39 ? 1.724 -27.876 7.934 1.00 16.13 ? 9 TYR B CE2 1 ATOM 1528 C CZ . TYR B 2 39 ? 2.963 -28.436 7.941 1.00 21.53 ? 9 TYR B CZ 1 ATOM 1529 O OH . TYR B 2 39 ? 3.207 -29.505 7.200 1.00 19.89 ? 9 TYR B OH 1 ATOM 1530 N N . GLN B 2 40 ? 3.207 -26.998 12.854 1.00 14.78 ? 10 GLN B N 1 ATOM 1531 C CA . GLN B 2 40 ? 4.374 -27.547 13.514 1.00 14.15 ? 10 GLN B CA 1 ATOM 1532 C C . GLN B 2 40 ? 5.079 -28.666 12.750 1.00 19.28 ? 10 GLN B C 1 ATOM 1533 O O . GLN B 2 40 ? 4.479 -29.611 12.325 1.00 19.68 ? 10 GLN B O 1 ATOM 1534 C CB . GLN B 2 40 ? 4.059 -27.999 14.953 1.00 15.11 ? 10 GLN B CB 1 ATOM 1535 C CG . GLN B 2 40 ? 3.413 -26.984 15.872 1.00 26.06 ? 10 GLN B CG 1 ATOM 1536 C CD . GLN B 2 40 ? 3.192 -27.483 17.294 1.00 32.40 ? 10 GLN B CD 1 ATOM 1537 O OE1 . GLN B 2 40 ? 4.110 -27.766 18.004 1.00 20.66 ? 10 GLN B OE1 1 ATOM 1538 N NE2 . GLN B 2 40 ? 1.972 -27.559 17.691 1.00 25.60 ? 10 GLN B NE2 1 ATOM 1539 N N . PHE B 2 41 ? 6.380 -28.540 12.597 1.00 15.46 ? 11 PHE B N 1 ATOM 1540 C CA . PHE B 2 41 ? 7.214 -29.646 12.154 1.00 14.84 ? 11 PHE B CA 1 ATOM 1541 C C . PHE B 2 41 ? 8.234 -30.055 13.226 1.00 18.13 ? 11 PHE B C 1 ATOM 1542 O O . PHE B 2 41 ? 9.036 -29.294 13.646 1.00 17.93 ? 11 PHE B O 1 ATOM 1543 C CB . PHE B 2 41 ? 7.858 -29.378 10.783 1.00 16.19 ? 11 PHE B CB 1 ATOM 1544 C CG . PHE B 2 41 ? 8.801 -30.459 10.302 1.00 16.98 ? 11 PHE B CG 1 ATOM 1545 C CD1 . PHE B 2 41 ? 8.363 -31.716 10.023 1.00 18.52 ? 11 PHE B CD1 1 ATOM 1546 C CD2 . PHE B 2 41 ? 10.127 -30.188 10.113 1.00 18.65 ? 11 PHE B CD2 1 ATOM 1547 C CE1 . PHE B 2 41 ? 9.213 -32.685 9.595 1.00 18.86 ? 11 PHE B CE1 1 ATOM 1548 C CE2 . PHE B 2 41 ? 10.998 -31.157 9.680 1.00 20.75 ? 11 PHE B CE2 1 ATOM 1549 C CZ . PHE B 2 41 ? 10.532 -32.412 9.421 1.00 18.38 ? 11 PHE B CZ 1 ATOM 1550 N N . LYS B 2 42 ? 8.168 -31.300 13.629 1.00 14.07 ? 12 LYS B N 1 ATOM 1551 C CA . LYS B 2 42 ? 9.075 -31.817 14.651 1.00 13.30 ? 12 LYS B CA 1 ATOM 1552 C C . LYS B 2 42 ? 9.937 -32.954 14.117 1.00 17.03 ? 12 LYS B C 1 ATOM 1553 O O . LYS B 2 42 ? 9.424 -34.027 13.835 1.00 15.79 ? 12 LYS B O 1 ATOM 1554 C CB . LYS B 2 42 ? 8.293 -32.293 15.885 1.00 15.43 ? 12 LYS B CB 1 ATOM 1555 C CG . LYS B 2 42 ? 7.664 -31.185 16.707 1.00 14.39 ? 12 LYS B CG 1 ATOM 1556 C CD . LYS B 2 42 ? 6.713 -31.778 17.737 1.00 21.39 ? 12 LYS B CD 1 ATOM 1557 C CE . LYS B 2 42 ? 6.161 -30.740 18.674 1.00 16.72 ? 12 LYS B CE 1 ATOM 1558 N NZ . LYS B 2 42 ? 5.349 -31.351 19.743 1.00 8.45 1 12 LYS B NZ 1 ATOM 1559 N N . GLY B 2 43 ? 11.240 -32.707 14.006 1.00 15.09 ? 13 GLY B N 1 ATOM 1560 C CA . GLY B 2 43 ? 12.218 -33.705 13.584 1.00 15.35 ? 13 GLY B CA 1 ATOM 1561 C C . GLY B 2 43 ? 12.850 -34.290 14.831 1.00 19.23 ? 13 GLY B C 1 ATOM 1562 O O . GLY B 2 43 ? 13.785 -33.708 15.386 1.00 18.19 ? 13 GLY B O 1 ATOM 1563 N N . MET B 2 44 ? 12.321 -35.429 15.302 1.00 16.19 ? 14 MET B N 1 ATOM 1564 C CA . MET B 2 44 ? 12.739 -36.019 16.573 1.00 16.11 ? 14 MET B CA 1 ATOM 1565 C C . MET B 2 44 ? 13.624 -37.259 16.464 1.00 19.62 ? 14 MET B C 1 ATOM 1566 O O . MET B 2 44 ? 13.457 -38.088 15.575 1.00 18.74 ? 14 MET B O 1 ATOM 1567 C CB . MET B 2 44 ? 11.511 -36.339 17.415 1.00 18.66 ? 14 MET B CB 1 ATOM 1568 C CG . MET B 2 44 ? 10.611 -35.144 17.564 1.00 22.27 ? 14 MET B CG 1 ATOM 1569 S SD . MET B 2 44 ? 9.276 -35.373 18.719 1.00 27.40 ? 14 MET B SD 1 ATOM 1570 C CE . MET B 2 44 ? 10.168 -35.211 20.290 1.00 23.92 ? 14 MET B CE 1 ATOM 1571 N N . CYS B 2 45 ? 14.594 -37.342 17.383 1.00 17.30 ? 15 CYS B N 1 ATOM 1572 C CA . CYS B 2 45 ? 15.538 -38.461 17.519 1.00 17.77 ? 15 CYS B CA 1 ATOM 1573 C C . CYS B 2 45 ? 15.365 -39.061 18.897 1.00 20.34 ? 15 CYS B C 1 ATOM 1574 O O . CYS B 2 45 ? 15.321 -38.331 19.887 1.00 19.60 ? 15 CYS B O 1 ATOM 1575 C CB . CYS B 2 45 ? 16.983 -38.027 17.281 1.00 18.17 ? 15 CYS B CB 1 ATOM 1576 S SG . CYS B 2 45 ? 17.320 -37.395 15.618 1.00 22.16 ? 15 CYS B SG 1 ATOM 1577 N N . TYR B 2 46 ? 15.250 -40.387 18.951 1.00 16.65 ? 16 TYR B N 1 ATOM 1578 C CA . TYR B 2 46 ? 15.080 -41.180 20.163 1.00 16.68 ? 16 TYR B CA 1 ATOM 1579 C C . TYR B 2 46 ? 16.312 -42.070 20.327 1.00 21.14 ? 16 TYR B C 1 ATOM 1580 O O . TYR B 2 46 ? 16.564 -42.925 19.480 1.00 20.81 ? 16 TYR B O 1 ATOM 1581 C CB . TYR B 2 46 ? 13.776 -41.993 20.076 1.00 18.04 ? 16 TYR B CB 1 ATOM 1582 C CG . TYR B 2 46 ? 12.542 -41.116 20.021 1.00 19.92 ? 16 TYR B CG 1 ATOM 1583 C CD1 . TYR B 2 46 ? 12.059 -40.629 18.805 1.00 21.48 ? 16 TYR B CD1 1 ATOM 1584 C CD2 . TYR B 2 46 ? 11.866 -40.753 21.185 1.00 20.86 ? 16 TYR B CD2 1 ATOM 1585 C CE1 . TYR B 2 46 ? 10.938 -39.797 18.753 1.00 21.43 ? 16 TYR B CE1 1 ATOM 1586 C CE2 . TYR B 2 46 ? 10.725 -39.952 21.140 1.00 21.68 ? 16 TYR B CE2 1 ATOM 1587 C CZ . TYR B 2 46 ? 10.263 -39.478 19.920 1.00 28.14 ? 16 TYR B CZ 1 ATOM 1588 O OH . TYR B 2 46 ? 9.145 -38.680 19.877 1.00 29.33 ? 16 TYR B OH 1 ATOM 1589 N N . PHE B 2 47 ? 17.114 -41.830 21.383 1.00 18.20 ? 17 PHE B N 1 ATOM 1590 C CA . PHE B 2 47 ? 18.357 -42.570 21.613 1.00 18.46 ? 17 PHE B CA 1 ATOM 1591 C C . PHE B 2 47 ? 18.271 -43.462 22.857 1.00 26.53 ? 17 PHE B C 1 ATOM 1592 O O . PHE B 2 47 ? 17.877 -42.990 23.930 1.00 27.04 ? 17 PHE B O 1 ATOM 1593 C CB . PHE B 2 47 ? 19.546 -41.598 21.728 1.00 19.26 ? 17 PHE B CB 1 ATOM 1594 C CG . PHE B 2 47 ? 19.715 -40.573 20.621 1.00 19.56 ? 17 PHE B CG 1 ATOM 1595 C CD1 . PHE B 2 47 ? 20.213 -40.944 19.375 1.00 21.93 ? 17 PHE B CD1 1 ATOM 1596 C CD2 . PHE B 2 47 ? 19.477 -39.223 20.857 1.00 20.49 ? 17 PHE B CD2 1 ATOM 1597 C CE1 . PHE B 2 47 ? 20.437 -39.986 18.379 1.00 22.06 ? 17 PHE B CE1 1 ATOM 1598 C CE2 . PHE B 2 47 ? 19.684 -38.271 19.852 1.00 22.52 ? 17 PHE B CE2 1 ATOM 1599 C CZ . PHE B 2 47 ? 20.178 -38.656 18.626 1.00 20.43 ? 17 PHE B CZ 1 ATOM 1600 N N . THR B 2 48 ? 18.649 -44.759 22.704 1.00 25.87 ? 18 THR B N 1 ATOM 1601 C CA . THR B 2 48 ? 18.650 -45.779 23.766 1.00 27.34 ? 18 THR B CA 1 ATOM 1602 C C . THR B 2 48 ? 19.952 -46.609 23.727 1.00 34.10 ? 18 THR B C 1 ATOM 1603 O O . THR B 2 48 ? 20.387 -47.026 22.644 1.00 33.68 ? 18 THR B O 1 ATOM 1604 C CB . THR B 2 48 ? 17.406 -46.689 23.646 1.00 35.70 ? 18 THR B CB 1 ATOM 1605 O OG1 . THR B 2 48 ? 16.243 -45.883 23.451 1.00 35.58 ? 18 THR B OG1 1 ATOM 1606 C CG2 . THR B 2 48 ? 17.201 -47.579 24.872 1.00 34.27 ? 18 THR B CG2 1 ATOM 1607 N N . ASN B 2 49 ? 20.553 -46.857 24.932 1.00 32.69 ? 19 ASN B N 1 ATOM 1608 C CA . ASN B 2 49 ? 21.782 -47.635 25.182 1.00 33.62 ? 19 ASN B CA 1 ATOM 1609 C C . ASN B 2 49 ? 22.940 -47.079 24.326 1.00 37.16 ? 19 ASN B C 1 ATOM 1610 O O . ASN B 2 49 ? 23.402 -47.724 23.386 1.00 37.60 ? 19 ASN B O 1 ATOM 1611 C CB . ASN B 2 49 ? 21.542 -49.155 24.943 1.00 37.11 ? 19 ASN B CB 1 ATOM 1612 C CG . ASN B 2 49 ? 22.671 -50.098 25.329 1.00 77.01 ? 19 ASN B CG 1 ATOM 1613 O OD1 . ASN B 2 49 ? 23.673 -49.705 25.955 1.00 72.82 ? 19 ASN B OD1 1 ATOM 1614 N ND2 . ASN B 2 49 ? 22.504 -51.377 24.947 1.00 78.95 ? 19 ASN B ND2 1 ATOM 1615 N N . GLY B 2 50 ? 23.365 -45.862 24.656 1.00 32.69 ? 20 GLY B N 1 ATOM 1616 C CA . GLY B 2 50 ? 24.419 -45.152 23.939 1.00 32.23 ? 20 GLY B CA 1 ATOM 1617 C C . GLY B 2 50 ? 24.078 -44.942 22.478 1.00 36.33 ? 20 GLY B C 1 ATOM 1618 O O . GLY B 2 50 ? 23.088 -44.272 22.154 1.00 35.23 ? 20 GLY B O 1 ATOM 1619 N N . THR B 2 51 ? 24.864 -45.583 21.594 1.00 33.55 ? 21 THR B N 1 ATOM 1620 C CA . THR B 2 51 ? 24.695 -45.510 20.139 1.00 33.32 ? 21 THR B CA 1 ATOM 1621 C C . THR B 2 51 ? 23.880 -46.698 19.580 1.00 37.15 ? 21 THR B C 1 ATOM 1622 O O . THR B 2 51 ? 23.307 -46.565 18.500 1.00 37.05 ? 21 THR B O 1 ATOM 1623 C CB . THR B 2 51 ? 26.073 -45.435 19.424 1.00 41.59 ? 21 THR B CB 1 ATOM 1624 O OG1 . THR B 2 51 ? 26.831 -46.610 19.720 1.00 45.51 ? 21 THR B OG1 1 ATOM 1625 C CG2 . THR B 2 51 ? 26.876 -44.182 19.788 1.00 37.40 ? 21 THR B CG2 1 ATOM 1626 N N . GLU B 2 52 ? 23.843 -47.840 20.304 1.00 33.55 ? 22 GLU B N 1 ATOM 1627 C CA . GLU B 2 52 ? 23.206 -49.112 19.928 1.00 34.26 ? 22 GLU B CA 1 ATOM 1628 C C . GLU B 2 52 ? 21.808 -48.977 19.277 1.00 36.94 ? 22 GLU B C 1 ATOM 1629 O O . GLU B 2 52 ? 21.557 -49.637 18.264 1.00 37.32 ? 22 GLU B O 1 ATOM 1630 C CB . GLU B 2 52 ? 23.109 -50.046 21.154 1.00 36.63 ? 22 GLU B CB 1 ATOM 1631 C CG . GLU B 2 52 ? 22.734 -51.494 20.846 1.00 52.48 ? 22 GLU B CG 1 ATOM 1632 C CD . GLU B 2 52 ? 21.392 -51.997 21.360 1.00 78.78 ? 22 GLU B CD 1 ATOM 1633 O OE1 . GLU B 2 52 ? 20.780 -51.331 22.229 1.00 72.38 ? 22 GLU B OE1 1 ATOM 1634 O OE2 . GLU B 2 52 ? 20.965 -53.085 20.909 1.00 74.64 -1 22 GLU B OE2 1 ATOM 1635 N N . ARG B 2 53 ? 20.907 -48.170 19.861 1.00 31.66 ? 23 ARG B N 1 ATOM 1636 C CA . ARG B 2 53 ? 19.543 -48.029 19.362 1.00 30.99 ? 23 ARG B CA 1 ATOM 1637 C C . ARG B 2 53 ? 19.208 -46.560 19.067 1.00 32.35 ? 23 ARG B C 1 ATOM 1638 O O . ARG B 2 53 ? 19.333 -45.704 19.947 1.00 31.43 ? 23 ARG B O 1 ATOM 1639 C CB . ARG B 2 53 ? 18.555 -48.645 20.379 1.00 33.64 ? 23 ARG B CB 1 ATOM 1640 C CG . ARG B 2 53 ? 17.075 -48.377 20.113 1.00 47.97 ? 23 ARG B CG 1 ATOM 1641 C CD . ARG B 2 53 ? 16.439 -49.355 19.147 1.00 62.50 ? 23 ARG B CD 1 ATOM 1642 N NE . ARG B 2 53 ? 15.046 -48.990 18.890 1.00 72.90 ? 23 ARG B NE 1 ATOM 1643 C CZ . ARG B 2 53 ? 14.579 -48.570 17.719 1.00 86.06 ? 23 ARG B CZ 1 ATOM 1644 N NH1 . ARG B 2 53 ? 15.383 -48.486 16.665 1.00 73.31 1 23 ARG B NH1 1 ATOM 1645 N NH2 . ARG B 2 53 ? 13.302 -48.249 17.587 1.00 71.54 ? 23 ARG B NH2 1 ATOM 1646 N N . VAL B 2 54 ? 18.800 -46.277 17.809 1.00 27.60 ? 24 VAL B N 1 ATOM 1647 C CA . VAL B 2 54 ? 18.433 -44.930 17.345 1.00 25.68 ? 24 VAL B CA 1 ATOM 1648 C C . VAL B 2 54 ? 17.142 -45.013 16.517 1.00 26.81 ? 24 VAL B C 1 ATOM 1649 O O . VAL B 2 54 ? 17.066 -45.799 15.570 1.00 26.93 ? 24 VAL B O 1 ATOM 1650 C CB . VAL B 2 54 ? 19.566 -44.215 16.543 1.00 29.59 ? 24 VAL B CB 1 ATOM 1651 C CG1 . VAL B 2 54 ? 19.206 -42.758 16.275 1.00 28.43 ? 24 VAL B CG1 1 ATOM 1652 C CG2 . VAL B 2 54 ? 20.911 -44.301 17.259 1.00 29.97 ? 24 VAL B CG2 1 ATOM 1653 N N . ARG B 2 55 ? 16.154 -44.171 16.849 1.00 21.53 ? 25 ARG B N 1 ATOM 1654 C CA . ARG B 2 55 ? 14.879 -44.132 16.136 1.00 20.69 ? 25 ARG B CA 1 ATOM 1655 C C . ARG B 2 55 ? 14.486 -42.692 15.826 1.00 22.09 ? 25 ARG B C 1 ATOM 1656 O O . ARG B 2 55 ? 14.540 -41.834 16.707 1.00 21.31 ? 25 ARG B O 1 ATOM 1657 C CB . ARG B 2 55 ? 13.793 -44.829 16.974 1.00 20.29 ? 25 ARG B CB 1 ATOM 1658 C CG . ARG B 2 55 ? 12.447 -44.983 16.289 1.00 27.77 ? 25 ARG B CG 1 ATOM 1659 C CD . ARG B 2 55 ? 11.395 -45.221 17.345 1.00 35.16 ? 25 ARG B CD 1 ATOM 1660 N NE . ARG B 2 55 ? 10.080 -45.507 16.774 1.00 43.92 ? 25 ARG B NE 1 ATOM 1661 C CZ . ARG B 2 55 ? 9.056 -45.984 17.474 1.00 60.30 ? 25 ARG B CZ 1 ATOM 1662 N NH1 . ARG B 2 55 ? 9.188 -46.237 18.770 1.00 51.63 1 25 ARG B NH1 1 ATOM 1663 N NH2 . ARG B 2 55 ? 7.894 -46.224 16.882 1.00 47.08 ? 25 ARG B NH2 1 ATOM 1664 N N . LEU B 2 56 ? 14.090 -42.427 14.576 1.00 17.22 ? 26 LEU B N 1 ATOM 1665 C CA . LEU B 2 56 ? 13.653 -41.091 14.197 1.00 15.20 ? 26 LEU B CA 1 ATOM 1666 C C . LEU B 2 56 ? 12.138 -41.093 13.922 1.00 16.21 ? 26 LEU B C 1 ATOM 1667 O O . LEU B 2 56 ? 11.578 -42.066 13.409 1.00 14.58 ? 26 LEU B O 1 ATOM 1668 C CB . LEU B 2 56 ? 14.463 -40.524 12.994 1.00 15.01 ? 26 LEU B CB 1 ATOM 1669 C CG . LEU B 2 56 ? 13.902 -40.701 11.560 1.00 19.67 ? 26 LEU B CG 1 ATOM 1670 C CD1 . LEU B 2 56 ? 13.000 -39.552 11.176 1.00 19.81 ? 26 LEU B CD1 1 ATOM 1671 C CD2 . LEU B 2 56 ? 15.004 -40.771 10.542 1.00 22.34 ? 26 LEU B CD2 1 ATOM 1672 N N . VAL B 2 57 ? 11.487 -39.990 14.297 1.00 11.83 ? 27 VAL B N 1 ATOM 1673 C CA . VAL B 2 57 ? 10.078 -39.729 14.048 1.00 11.09 ? 27 VAL B CA 1 ATOM 1674 C C . VAL B 2 57 ? 9.947 -38.265 13.640 1.00 15.29 ? 27 VAL B C 1 ATOM 1675 O O . VAL B 2 57 ? 10.265 -37.378 14.433 1.00 15.03 ? 27 VAL B O 1 ATOM 1676 C CB . VAL B 2 57 ? 9.061 -40.083 15.172 1.00 14.41 ? 27 VAL B CB 1 ATOM 1677 C CG1 . VAL B 2 57 ? 7.636 -40.023 14.624 1.00 14.19 ? 27 VAL B CG1 1 ATOM 1678 C CG2 . VAL B 2 57 ? 9.326 -41.454 15.792 1.00 14.62 ? 27 VAL B CG2 1 ATOM 1679 N N . THR B 2 58 ? 9.486 -38.012 12.408 1.00 12.03 ? 28 THR B N 1 ATOM 1680 C CA . THR B 2 58 ? 9.233 -36.634 11.972 1.00 11.26 ? 28 THR B CA 1 ATOM 1681 C C . THR B 2 58 ? 7.734 -36.438 12.082 1.00 14.97 ? 28 THR B C 1 ATOM 1682 O O . THR B 2 58 ? 6.975 -37.354 11.777 1.00 15.37 ? 28 THR B O 1 ATOM 1683 C CB . THR B 2 58 ? 9.822 -36.277 10.593 1.00 14.58 ? 28 THR B CB 1 ATOM 1684 O OG1 . THR B 2 58 ? 9.270 -37.108 9.583 1.00 13.83 ? 28 THR B OG1 1 ATOM 1685 C CG2 . THR B 2 58 ? 11.339 -36.314 10.571 1.00 12.36 ? 28 THR B CG2 1 ATOM 1686 N N . ARG B 2 59 ? 7.312 -35.284 12.588 1.00 11.21 ? 29 ARG B N 1 ATOM 1687 C CA . ARG B 2 59 ? 5.904 -35.022 12.847 1.00 11.40 ? 29 ARG B CA 1 ATOM 1688 C C . ARG B 2 59 ? 5.447 -33.765 12.138 1.00 14.89 ? 29 ARG B C 1 ATOM 1689 O O . ARG B 2 59 ? 6.059 -32.711 12.285 1.00 13.41 ? 29 ARG B O 1 ATOM 1690 C CB . ARG B 2 59 ? 5.642 -34.937 14.374 1.00 11.73 ? 29 ARG B CB 1 ATOM 1691 C CG . ARG B 2 59 ? 6.238 -36.108 15.157 1.00 21.67 ? 29 ARG B CG 1 ATOM 1692 C CD . ARG B 2 59 ? 6.130 -35.977 16.671 1.00 23.71 ? 29 ARG B CD 1 ATOM 1693 N NE . ARG B 2 59 ? 6.806 -37.084 17.361 1.00 16.70 ? 29 ARG B NE 1 ATOM 1694 C CZ . ARG B 2 59 ? 6.273 -38.285 17.568 1.00 19.44 ? 29 ARG B CZ 1 ATOM 1695 N NH1 . ARG B 2 59 ? 5.046 -38.558 17.142 1.00 4.09 1 29 ARG B NH1 1 ATOM 1696 N NH2 . ARG B 2 59 ? 6.968 -39.227 18.194 1.00 9.36 ? 29 ARG B NH2 1 ATOM 1697 N N . TYR B 2 60 ? 4.371 -33.913 11.395 1.00 13.02 ? 30 TYR B N 1 ATOM 1698 C CA . TYR B 2 60 ? 3.704 -32.867 10.643 1.00 12.73 ? 30 TYR B CA 1 ATOM 1699 C C . TYR B 2 60 ? 2.385 -32.560 11.310 1.00 16.89 ? 30 TYR B C 1 ATOM 1700 O O . TYR B 2 60 ? 1.522 -33.370 11.351 1.00 17.67 ? 30 TYR B O 1 ATOM 1701 C CB . TYR B 2 60 ? 3.519 -33.309 9.191 1.00 13.30 ? 30 TYR B CB 1 ATOM 1702 C CG . TYR B 2 60 ? 4.823 -33.427 8.438 1.00 13.56 ? 30 TYR B CG 1 ATOM 1703 C CD1 . TYR B 2 60 ? 5.579 -34.546 8.532 1.00 14.91 ? 30 TYR B CD1 1 ATOM 1704 C CD2 . TYR B 2 60 ? 5.294 -32.398 7.661 1.00 13.79 ? 30 TYR B CD2 1 ATOM 1705 C CE1 . TYR B 2 60 ? 6.763 -34.650 7.881 1.00 15.08 ? 30 TYR B CE1 1 ATOM 1706 C CE2 . TYR B 2 60 ? 6.476 -32.507 6.993 1.00 13.84 ? 30 TYR B CE2 1 ATOM 1707 C CZ . TYR B 2 60 ? 7.214 -33.633 7.120 1.00 18.51 ? 30 TYR B CZ 1 ATOM 1708 O OH . TYR B 2 60 ? 8.386 -33.767 6.496 1.00 13.70 ? 30 TYR B OH 1 ATOM 1709 N N . ILE B 2 61 ? 2.293 -31.406 11.945 1.00 12.46 ? 31 ILE B N 1 ATOM 1710 C CA . ILE B 2 61 ? 1.204 -30.967 12.772 1.00 12.52 ? 31 ILE B CA 1 ATOM 1711 C C . ILE B 2 61 ? 0.467 -29.700 12.355 1.00 16.70 ? 31 ILE B C 1 ATOM 1712 O O . ILE B 2 61 ? 1.052 -28.718 12.098 1.00 15.39 ? 31 ILE B O 1 ATOM 1713 C CB . ILE B 2 61 ? 1.801 -30.805 14.204 1.00 15.63 ? 31 ILE B CB 1 ATOM 1714 C CG1 . ILE B 2 61 ? 2.362 -32.124 14.687 1.00 16.12 ? 31 ILE B CG1 1 ATOM 1715 C CG2 . ILE B 2 61 ? 0.824 -30.290 15.218 1.00 15.80 ? 31 ILE B CG2 1 ATOM 1716 C CD1 . ILE B 2 61 ? 3.674 -32.039 15.389 1.00 18.95 ? 31 ILE B CD1 1 ATOM 1717 N N . TYR B 2 62 ? -0.854 -29.764 12.318 1.00 14.43 ? 32 TYR B N 1 ATOM 1718 C CA . TYR B 2 62 ? -1.694 -28.624 12.006 1.00 14.52 ? 32 TYR B CA 1 ATOM 1719 C C . TYR B 2 62 ? -2.431 -28.291 13.288 1.00 19.11 ? 32 TYR B C 1 ATOM 1720 O O . TYR B 2 62 ? -3.183 -29.053 13.760 1.00 18.56 ? 32 TYR B O 1 ATOM 1721 C CB . TYR B 2 62 ? -2.611 -28.907 10.814 1.00 15.91 ? 32 TYR B CB 1 ATOM 1722 C CG . TYR B 2 62 ? -3.538 -27.795 10.477 1.00 17.26 ? 32 TYR B CG 1 ATOM 1723 C CD1 . TYR B 2 62 ? -3.090 -26.673 9.898 1.00 18.65 ? 32 TYR B CD1 1 ATOM 1724 C CD2 . TYR B 2 62 ? -4.860 -27.887 10.737 1.00 18.27 ? 32 TYR B CD2 1 ATOM 1725 C CE1 . TYR B 2 62 ? -3.936 -25.657 9.598 1.00 19.41 ? 32 TYR B CE1 1 ATOM 1726 C CE2 . TYR B 2 62 ? -5.695 -26.883 10.448 1.00 19.43 ? 32 TYR B CE2 1 ATOM 1727 C CZ . TYR B 2 62 ? -5.220 -25.772 9.869 1.00 26.53 ? 32 TYR B CZ 1 ATOM 1728 O OH . TYR B 2 62 ? -6.050 -24.774 9.597 1.00 27.34 ? 32 TYR B OH 1 ATOM 1729 N N . ASN B 2 63 ? -2.192 -27.101 13.804 1.00 16.06 ? 33 ASN B N 1 ATOM 1730 C CA . ASN B 2 63 ? -2.682 -26.644 15.083 1.00 16.06 ? 33 ASN B CA 1 ATOM 1731 C C . ASN B 2 63 ? -2.074 -27.610 16.079 1.00 20.38 ? 33 ASN B C 1 ATOM 1732 O O . ASN B 2 63 ? -0.905 -27.597 16.237 1.00 20.10 ? 33 ASN B O 1 ATOM 1733 C CB . ASN B 2 63 ? -4.172 -26.465 15.150 1.00 15.33 ? 33 ASN B CB 1 ATOM 1734 C CG . ASN B 2 63 ? -4.669 -25.428 14.208 1.00 32.61 ? 33 ASN B CG 1 ATOM 1735 O OD1 . ASN B 2 63 ? -4.100 -24.409 14.042 1.00 20.13 ? 33 ASN B OD1 1 ATOM 1736 N ND2 . ASN B 2 63 ? -5.761 -25.700 13.616 1.00 26.33 ? 33 ASN B ND2 1 ATOM 1737 N N . ARG B 2 64 ? -2.846 -28.400 16.782 1.00 18.17 ? 34 ARG B N 1 ATOM 1738 C CA . ARG B 2 64 ? -2.308 -29.392 17.676 1.00 18.52 ? 34 ARG B CA 1 ATOM 1739 C C . ARG B 2 64 ? -2.453 -30.787 17.130 1.00 23.52 ? 34 ARG B C 1 ATOM 1740 O O . ARG B 2 64 ? -2.182 -31.705 17.804 1.00 23.79 ? 34 ARG B O 1 ATOM 1741 C CB . ARG B 2 64 ? -2.891 -29.296 19.077 1.00 17.60 ? 34 ARG B CB 1 ATOM 1742 C CG . ARG B 2 64 ? -2.314 -28.184 19.886 1.00 18.13 ? 34 ARG B CG 1 ATOM 1743 C CD . ARG B 2 64 ? -3.038 -28.034 21.142 1.00 24.83 ? 34 ARG B CD 1 ATOM 1744 N NE . ARG B 2 64 ? -2.719 -29.126 22.007 1.00 40.59 ? 34 ARG B NE 1 ATOM 1745 C CZ . ARG B 2 64 ? -3.107 -29.187 23.256 1.00 62.97 ? 34 ARG B CZ 1 ATOM 1746 N NH1 . ARG B 2 64 ? -2.778 -30.184 24.022 1.00 53.04 1 34 ARG B NH1 1 ATOM 1747 N NH2 . ARG B 2 64 ? -3.824 -28.226 23.744 1.00 56.16 ? 34 ARG B NH2 1 ATOM 1748 N N . GLU B 2 65 ? -2.874 -30.924 15.897 1.00 19.41 ? 35 GLU B N 1 ATOM 1749 C CA . GLU B 2 65 ? -3.114 -32.214 15.279 1.00 19.08 ? 35 GLU B CA 1 ATOM 1750 C C . GLU B 2 65 ? -2.009 -32.765 14.407 1.00 20.80 ? 35 GLU B C 1 ATOM 1751 O O . GLU B 2 65 ? -1.685 -32.203 13.435 1.00 19.28 ? 35 GLU B O 1 ATOM 1752 C CB . GLU B 2 65 ? -4.419 -32.113 14.462 1.00 21.22 ? 35 GLU B CB 1 ATOM 1753 C CG . GLU B 2 65 ? -4.900 -33.341 13.702 1.00 32.39 ? 35 GLU B CG 1 ATOM 1754 C CD . GLU B 2 65 ? -6.062 -33.040 12.759 1.00 53.31 ? 35 GLU B CD 1 ATOM 1755 O OE1 . GLU B 2 65 ? -6.858 -32.190 13.087 1.00 52.22 ? 35 GLU B OE1 1 ATOM 1756 O OE2 . GLU B 2 65 ? -6.198 -33.619 11.687 1.00 41.80 -1 35 GLU B OE2 1 ATOM 1757 N N . GLU B 2 66 ? -1.481 -33.910 14.768 1.00 16.84 ? 36 GLU B N 1 ATOM 1758 C CA . GLU B 2 66 ? -0.468 -34.541 13.996 1.00 16.02 ? 36 GLU B CA 1 ATOM 1759 C C . GLU B 2 66 ? -1.181 -35.262 12.868 1.00 19.75 ? 36 GLU B C 1 ATOM 1760 O O . GLU B 2 66 ? -1.938 -36.148 13.064 1.00 20.97 ? 36 GLU B O 1 ATOM 1761 C CB . GLU B 2 66 ? 0.344 -35.487 14.847 1.00 17.29 ? 36 GLU B CB 1 ATOM 1762 C CG . GLU B 2 66 ? 1.544 -36.100 14.182 1.00 25.92 ? 36 GLU B CG 1 ATOM 1763 C CD . GLU B 2 66 ? 2.472 -36.755 15.160 1.00 48.63 ? 36 GLU B CD 1 ATOM 1764 O OE1 . GLU B 2 66 ? 2.474 -36.373 16.314 1.00 52.46 ? 36 GLU B OE1 1 ATOM 1765 O OE2 . GLU B 2 66 ? 3.221 -37.633 14.783 1.00 39.44 -1 36 GLU B OE2 1 ATOM 1766 N N . TYR B 2 67 ? -0.898 -34.867 11.660 1.00 14.27 ? 37 TYR B N 1 ATOM 1767 C CA . TYR B 2 67 ? -1.632 -35.481 10.555 1.00 14.71 ? 37 TYR B CA 1 ATOM 1768 C C . TYR B 2 67 ? -0.796 -36.440 9.722 1.00 18.96 ? 37 TYR B C 1 ATOM 1769 O O . TYR B 2 67 ? -1.351 -37.234 8.964 1.00 19.21 ? 37 TYR B O 1 ATOM 1770 C CB . TYR B 2 67 ? -2.268 -34.401 9.655 1.00 15.67 ? 37 TYR B CB 1 ATOM 1771 C CG . TYR B 2 67 ? -1.292 -33.538 8.878 1.00 15.00 ? 37 TYR B CG 1 ATOM 1772 C CD1 . TYR B 2 67 ? -0.884 -33.896 7.596 1.00 16.63 ? 37 TYR B CD1 1 ATOM 1773 C CD2 . TYR B 2 67 ? -0.852 -32.318 9.384 1.00 14.31 ? 37 TYR B CD2 1 ATOM 1774 C CE1 . TYR B 2 67 ? 0.005 -33.107 6.871 1.00 15.46 ? 37 TYR B CE1 1 ATOM 1775 C CE2 . TYR B 2 67 ? 0.032 -31.512 8.663 1.00 14.06 ? 37 TYR B CE2 1 ATOM 1776 C CZ . TYR B 2 67 ? 0.441 -31.905 7.398 1.00 17.99 ? 37 TYR B CZ 1 ATOM 1777 O OH . TYR B 2 67 ? 1.220 -31.093 6.625 1.00 14.43 ? 37 TYR B OH 1 ATOM 1778 N N . ALA B 2 68 ? 0.526 -36.350 9.830 1.00 15.59 ? 38 ALA B N 1 ATOM 1779 C CA . ALA B 2 68 ? 1.434 -37.198 9.069 1.00 15.15 ? 38 ALA B CA 1 ATOM 1780 C C . ALA B 2 68 ? 2.738 -37.368 9.821 1.00 18.36 ? 38 ALA B C 1 ATOM 1781 O O . ALA B 2 68 ? 3.113 -36.501 10.619 1.00 18.15 ? 38 ALA B O 1 ATOM 1782 C CB . ALA B 2 68 ? 1.680 -36.603 7.682 1.00 15.85 ? 38 ALA B CB 1 ATOM 1783 N N . ARG B 2 69 ? 3.409 -38.512 9.601 1.00 14.95 ? 39 ARG B N 1 ATOM 1784 C CA . ARG B 2 69 ? 4.674 -38.810 10.248 1.00 14.36 ? 39 ARG B CA 1 ATOM 1785 C C . ARG B 2 69 ? 5.542 -39.793 9.464 1.00 17.63 ? 39 ARG B C 1 ATOM 1786 O O . ARG B 2 69 ? 5.046 -40.650 8.725 1.00 17.38 ? 39 ARG B O 1 ATOM 1787 C CB . ARG B 2 69 ? 4.478 -39.345 11.686 1.00 15.45 ? 39 ARG B CB 1 ATOM 1788 C CG . ARG B 2 69 ? 3.945 -40.773 11.808 1.00 24.31 ? 39 ARG B CG 1 ATOM 1789 C CD . ARG B 2 69 ? 4.191 -41.351 13.183 1.00 23.31 ? 39 ARG B CD 1 ATOM 1790 N NE . ARG B 2 69 ? 3.385 -40.663 14.188 1.00 28.90 ? 39 ARG B NE 1 ATOM 1791 C CZ . ARG B 2 69 ? 2.280 -41.150 14.743 1.00 41.77 ? 39 ARG B CZ 1 ATOM 1792 N NH1 . ARG B 2 69 ? 1.842 -42.360 14.417 1.00 29.53 1 39 ARG B NH1 1 ATOM 1793 N NH2 . ARG B 2 69 ? 1.604 -40.432 15.627 1.00 26.08 ? 39 ARG B NH2 1 ATOM 1794 N N . PHE B 2 70 ? 6.859 -39.665 9.673 1.00 13.01 ? 40 PHE B N 1 ATOM 1795 C CA . PHE B 2 70 ? 7.810 -40.612 9.168 1.00 12.34 ? 40 PHE B CA 1 ATOM 1796 C C . PHE B 2 70 ? 8.489 -41.225 10.381 1.00 15.90 ? 40 PHE B C 1 ATOM 1797 O O . PHE B 2 70 ? 9.080 -40.512 11.182 1.00 14.02 ? 40 PHE B O 1 ATOM 1798 C CB . PHE B 2 70 ? 8.806 -40.009 8.175 1.00 13.49 ? 40 PHE B CB 1 ATOM 1799 C CG . PHE B 2 70 ? 9.814 -41.027 7.698 1.00 15.22 ? 40 PHE B CG 1 ATOM 1800 C CD1 . PHE B 2 70 ? 10.977 -41.277 8.426 1.00 18.28 ? 40 PHE B CD1 1 ATOM 1801 C CD2 . PHE B 2 70 ? 9.595 -41.752 6.535 1.00 17.58 ? 40 PHE B CD2 1 ATOM 1802 C CE1 . PHE B 2 70 ? 11.906 -42.225 7.988 1.00 19.43 ? 40 PHE B CE1 1 ATOM 1803 C CE2 . PHE B 2 70 ? 10.531 -42.692 6.092 1.00 20.74 ? 40 PHE B CE2 1 ATOM 1804 C CZ . PHE B 2 70 ? 11.673 -42.930 6.827 1.00 18.72 ? 40 PHE B CZ 1 ATOM 1805 N N . ASP B 2 71 ? 8.383 -42.542 10.510 1.00 14.62 ? 41 ASP B N 1 ATOM 1806 C CA . ASP B 2 71 ? 8.983 -43.330 11.579 1.00 14.93 ? 41 ASP B CA 1 ATOM 1807 C C . ASP B 2 71 ? 10.003 -44.256 10.941 1.00 19.87 ? 41 ASP B C 1 ATOM 1808 O O . ASP B 2 71 ? 9.645 -44.999 10.026 1.00 20.54 ? 41 ASP B O 1 ATOM 1809 C CB . ASP B 2 71 ? 7.890 -44.104 12.350 1.00 17.20 ? 41 ASP B CB 1 ATOM 1810 C CG . ASP B 2 71 ? 8.340 -44.874 13.590 1.00 27.23 ? 41 ASP B CG 1 ATOM 1811 O OD1 . ASP B 2 71 ? 9.554 -44.834 13.922 1.00 27.11 ? 41 ASP B OD1 1 ATOM 1812 O OD2 . ASP B 2 71 ? 7.481 -45.515 14.229 1.00 33.68 -1 41 ASP B OD2 1 ATOM 1813 N N . SER B 2 72 ? 11.277 -44.186 11.398 1.00 16.80 ? 42 SER B N 1 ATOM 1814 C CA . SER B 2 72 ? 12.413 -44.959 10.860 1.00 17.51 ? 42 SER B CA 1 ATOM 1815 C C . SER B 2 72 ? 12.194 -46.482 10.948 1.00 23.48 ? 42 SER B C 1 ATOM 1816 O O . SER B 2 72 ? 12.649 -47.207 10.057 1.00 24.02 ? 42 SER B O 1 ATOM 1817 C CB . SER B 2 72 ? 13.727 -44.564 11.532 1.00 20.23 ? 42 SER B CB 1 ATOM 1818 O OG . SER B 2 72 ? 13.753 -44.850 12.920 1.00 30.29 ? 42 SER B OG 1 ATOM 1819 N N . ASP B 2 73 ? 11.467 -46.953 11.981 1.00 20.49 ? 43 ASP B N 1 ATOM 1820 C CA . ASP B 2 73 ? 11.122 -48.369 12.155 1.00 21.45 ? 43 ASP B CA 1 ATOM 1821 C C . ASP B 2 73 ? 10.083 -48.815 11.118 1.00 25.70 ? 43 ASP B C 1 ATOM 1822 O O . ASP B 2 73 ? 10.024 -49.999 10.781 1.00 26.47 ? 43 ASP B O 1 ATOM 1823 C CB . ASP B 2 73 ? 10.600 -48.637 13.570 1.00 23.29 ? 43 ASP B CB 1 ATOM 1824 C CG . ASP B 2 73 ? 11.614 -48.438 14.685 1.00 34.37 ? 43 ASP B CG 1 ATOM 1825 O OD1 . ASP B 2 73 ? 12.842 -48.407 14.388 1.00 34.49 ? 43 ASP B OD1 1 ATOM 1826 O OD2 . ASP B 2 73 ? 11.190 -48.343 15.855 1.00 42.11 -1 43 ASP B OD2 1 ATOM 1827 N N . VAL B 2 74 ? 9.272 -47.866 10.616 1.00 21.66 ? 44 VAL B N 1 ATOM 1828 C CA . VAL B 2 74 ? 8.266 -48.118 9.590 1.00 22.21 ? 44 VAL B CA 1 ATOM 1829 C C . VAL B 2 74 ? 8.963 -48.010 8.213 1.00 25.55 ? 44 VAL B C 1 ATOM 1830 O O . VAL B 2 74 ? 8.855 -48.940 7.413 1.00 26.69 ? 44 VAL B O 1 ATOM 1831 C CB . VAL B 2 74 ? 7.017 -47.201 9.732 1.00 25.80 ? 44 VAL B CB 1 ATOM 1832 C CG1 . VAL B 2 74 ? 5.996 -47.477 8.628 1.00 26.11 ? 44 VAL B CG1 1 ATOM 1833 C CG2 . VAL B 2 74 ? 6.368 -47.375 11.107 1.00 25.83 ? 44 VAL B CG2 1 ATOM 1834 N N . GLY B 2 75 ? 9.694 -46.914 7.976 1.00 19.89 ? 45 GLY B N 1 ATOM 1835 C CA . GLY B 2 75 ? 10.451 -46.718 6.742 1.00 19.25 ? 45 GLY B CA 1 ATOM 1836 C C . GLY B 2 75 ? 9.741 -46.002 5.613 1.00 21.86 ? 45 GLY B C 1 ATOM 1837 O O . GLY B 2 75 ? 10.337 -45.780 4.557 1.00 22.61 ? 45 GLY B O 1 ATOM 1838 N N . VAL B 2 76 ? 8.474 -45.638 5.817 1.00 16.27 ? 46 VAL B N 1 ATOM 1839 C CA . VAL B 2 76 ? 7.653 -44.896 4.852 1.00 15.44 ? 46 VAL B CA 1 ATOM 1840 C C . VAL B 2 76 ? 6.821 -43.853 5.608 1.00 20.22 ? 46 VAL B C 1 ATOM 1841 O O . VAL B 2 76 ? 6.665 -43.958 6.830 1.00 20.25 ? 46 VAL B O 1 ATOM 1842 C CB . VAL B 2 76 ? 6.744 -45.799 3.967 1.00 19.71 ? 46 VAL B CB 1 ATOM 1843 C CG1 . VAL B 2 76 ? 7.522 -46.462 2.831 1.00 19.61 ? 46 VAL B CG1 1 ATOM 1844 C CG2 . VAL B 2 76 ? 5.963 -46.823 4.797 1.00 20.13 ? 46 VAL B CG2 1 ATOM 1845 N N . TYR B 2 77 ? 6.278 -42.854 4.886 1.00 16.30 ? 47 TYR B N 1 ATOM 1846 C CA . TYR B 2 77 ? 5.397 -41.859 5.497 1.00 15.12 ? 47 TYR B CA 1 ATOM 1847 C C . TYR B 2 77 ? 4.037 -42.497 5.779 1.00 20.19 ? 47 TYR B C 1 ATOM 1848 O O . TYR B 2 77 ? 3.557 -43.328 5.007 1.00 19.54 ? 47 TYR B O 1 ATOM 1849 C CB . TYR B 2 77 ? 5.233 -40.631 4.590 1.00 15.24 ? 47 TYR B CB 1 ATOM 1850 C CG . TYR B 2 77 ? 6.423 -39.698 4.617 1.00 15.85 ? 47 TYR B CG 1 ATOM 1851 C CD1 . TYR B 2 77 ? 7.504 -39.890 3.763 1.00 16.94 ? 47 TYR B CD1 1 ATOM 1852 C CD2 . TYR B 2 77 ? 6.465 -38.619 5.495 1.00 16.08 ? 47 TYR B CD2 1 ATOM 1853 C CE1 . TYR B 2 77 ? 8.603 -39.033 3.788 1.00 15.94 ? 47 TYR B CE1 1 ATOM 1854 C CE2 . TYR B 2 77 ? 7.555 -37.755 5.528 1.00 16.17 ? 47 TYR B CE2 1 ATOM 1855 C CZ . TYR B 2 77 ? 8.629 -37.973 4.681 1.00 21.05 ? 47 TYR B CZ 1 ATOM 1856 O OH . TYR B 2 77 ? 9.698 -37.112 4.717 1.00 17.22 ? 47 TYR B OH 1 ATOM 1857 N N . ARG B 2 78 ? 3.438 -42.134 6.905 1.00 17.87 ? 48 ARG B N 1 ATOM 1858 C CA . ARG B 2 78 ? 2.124 -42.621 7.270 1.00 18.44 ? 48 ARG B CA 1 ATOM 1859 C C . ARG B 2 78 ? 1.277 -41.448 7.675 1.00 22.25 ? 48 ARG B C 1 ATOM 1860 O O . ARG B 2 78 ? 1.757 -40.513 8.319 1.00 21.26 ? 48 ARG B O 1 ATOM 1861 C CB . ARG B 2 78 ? 2.184 -43.673 8.393 1.00 18.56 ? 48 ARG B CB 1 ATOM 1862 C CG . ARG B 2 78 ? 2.764 -45.021 7.966 1.00 31.08 ? 48 ARG B CG 1 ATOM 1863 C CD . ARG B 2 78 ? 1.709 -46.012 7.518 1.00 43.78 ? 48 ARG B CD 1 ATOM 1864 N NE . ARG B 2 78 ? 2.296 -47.197 6.880 1.00 56.13 ? 48 ARG B NE 1 ATOM 1865 C CZ . ARG B 2 78 ? 2.630 -48.316 7.519 1.00 70.76 ? 48 ARG B CZ 1 ATOM 1866 N NH1 . ARG B 2 78 ? 2.458 -48.416 8.834 1.00 54.44 1 48 ARG B NH1 1 ATOM 1867 N NH2 . ARG B 2 78 ? 3.150 -49.338 6.852 1.00 58.03 ? 48 ARG B NH2 1 ATOM 1868 N N . ALA B 2 79 ? 0.021 -41.468 7.248 1.00 19.30 ? 49 ALA B N 1 ATOM 1869 C CA . ALA B 2 79 ? -0.956 -40.477 7.668 1.00 18.62 ? 49 ALA B CA 1 ATOM 1870 C C . ALA B 2 79 ? -1.338 -40.822 9.127 1.00 22.32 ? 49 ALA B C 1 ATOM 1871 O O . ALA B 2 79 ? -1.205 -41.984 9.532 1.00 21.59 ? 49 ALA B O 1 ATOM 1872 C CB . ALA B 2 79 ? -2.160 -40.515 6.739 1.00 19.80 ? 49 ALA B CB 1 ATOM 1873 N N . VAL B 2 80 ? -1.726 -39.826 9.933 1.00 18.63 ? 50 VAL B N 1 ATOM 1874 C CA . VAL B 2 80 ? -2.084 -40.051 11.344 1.00 18.98 ? 50 VAL B CA 1 ATOM 1875 C C . VAL B 2 80 ? -3.582 -39.720 11.512 1.00 22.96 ? 50 VAL B C 1 ATOM 1876 O O . VAL B 2 80 ? -4.256 -40.322 12.355 1.00 23.99 ? 50 VAL B O 1 ATOM 1877 C CB . VAL B 2 80 ? -1.155 -39.261 12.326 1.00 22.69 ? 50 VAL B CB 1 ATOM 1878 C CG1 . VAL B 2 80 ? -1.521 -39.510 13.791 1.00 23.05 ? 50 VAL B CG1 1 ATOM 1879 C CG2 . VAL B 2 80 ? 0.317 -39.599 12.094 1.00 21.94 ? 50 VAL B CG2 1 ATOM 1880 N N . THR B 2 81 ? -4.110 -38.801 10.674 1.00 17.82 ? 51 THR B N 1 ATOM 1881 C CA . THR B 2 81 ? -5.525 -38.383 10.680 1.00 17.69 ? 51 THR B CA 1 ATOM 1882 C C . THR B 2 81 ? -6.056 -38.294 9.219 1.00 20.84 ? 51 THR B C 1 ATOM 1883 O O . THR B 2 81 ? -5.228 -38.273 8.306 1.00 18.63 ? 51 THR B O 1 ATOM 1884 C CB . THR B 2 81 ? -5.690 -37.022 11.404 1.00 21.63 ? 51 THR B CB 1 ATOM 1885 O OG1 . THR B 2 81 ? -5.059 -35.996 10.643 1.00 19.22 ? 51 THR B OG1 1 ATOM 1886 C CG2 . THR B 2 81 ? -5.191 -37.025 12.845 1.00 19.81 ? 51 THR B CG2 1 ATOM 1887 N N . PRO B 2 82 ? -7.389 -38.139 8.958 1.00 18.93 ? 52 PRO B N 1 ATOM 1888 C CA . PRO B 2 82 ? -7.863 -38.005 7.555 1.00 19.28 ? 52 PRO B CA 1 ATOM 1889 C C . PRO B 2 82 ? -7.317 -36.775 6.799 1.00 23.81 ? 52 PRO B C 1 ATOM 1890 O O . PRO B 2 82 ? -7.556 -36.631 5.602 1.00 24.04 ? 52 PRO B O 1 ATOM 1891 C CB . PRO B 2 82 ? -9.382 -37.911 7.705 1.00 22.00 ? 52 PRO B CB 1 ATOM 1892 C CG . PRO B 2 82 ? -9.663 -38.556 9.012 1.00 26.45 ? 52 PRO B CG 1 ATOM 1893 C CD . PRO B 2 82 ? -8.535 -38.159 9.890 1.00 20.89 ? 52 PRO B CD 1 ATOM 1894 N N . LEU B 2 83 ? -6.561 -35.916 7.488 1.00 20.33 ? 53 LEU B N 1 ATOM 1895 C CA . LEU B 2 83 ? -5.908 -34.734 6.943 1.00 19.61 ? 53 LEU B CA 1 ATOM 1896 C C . LEU B 2 83 ? -4.580 -35.117 6.262 1.00 23.37 ? 53 LEU B C 1 ATOM 1897 O O . LEU B 2 83 ? -4.108 -34.392 5.388 1.00 23.48 ? 53 LEU B O 1 ATOM 1898 C CB . LEU B 2 83 ? -5.672 -33.740 8.098 1.00 19.37 ? 53 LEU B CB 1 ATOM 1899 C CG . LEU B 2 83 ? -5.360 -32.280 7.774 1.00 23.96 ? 53 LEU B CG 1 ATOM 1900 C CD1 . LEU B 2 83 ? -6.483 -31.620 6.954 1.00 25.05 ? 53 LEU B CD1 1 ATOM 1901 C CD2 . LEU B 2 83 ? -5.158 -31.497 9.063 1.00 26.16 ? 53 LEU B CD2 1 ATOM 1902 N N . GLY B 2 84 ? -4.025 -36.268 6.643 1.00 19.42 ? 54 GLY B N 1 ATOM 1903 C CA . GLY B 2 84 ? -2.749 -36.773 6.153 1.00 18.11 ? 54 GLY B CA 1 ATOM 1904 C C . GLY B 2 84 ? -2.619 -37.559 4.853 1.00 21.45 ? 54 GLY B C 1 ATOM 1905 O O . GLY B 2 84 ? -1.532 -37.480 4.268 1.00 20.78 ? 54 GLY B O 1 ATOM 1906 N N . PRO B 2 85 ? -3.617 -38.378 4.371 1.00 17.86 ? 55 PRO B N 1 ATOM 1907 C CA . PRO B 2 85 ? -3.395 -39.171 3.140 1.00 17.70 ? 55 PRO B CA 1 ATOM 1908 C C . PRO B 2 85 ? -2.885 -38.385 1.913 1.00 20.98 ? 55 PRO B C 1 ATOM 1909 O O . PRO B 2 85 ? -1.951 -38.900 1.297 1.00 19.50 ? 55 PRO B O 1 ATOM 1910 C CB . PRO B 2 85 ? -4.765 -39.795 2.865 1.00 20.42 ? 55 PRO B CB 1 ATOM 1911 C CG . PRO B 2 85 ? -5.398 -39.869 4.188 1.00 24.99 ? 55 PRO B CG 1 ATOM 1912 C CD . PRO B 2 85 ? -4.960 -38.656 4.925 1.00 19.82 ? 55 PRO B CD 1 ATOM 1913 N N . PRO B 2 86 ? -3.369 -37.162 1.554 1.00 19.34 ? 56 PRO B N 1 ATOM 1914 C CA . PRO B 2 86 ? -2.786 -36.473 0.384 1.00 19.42 ? 56 PRO B CA 1 ATOM 1915 C C . PRO B 2 86 ? -1.283 -36.166 0.527 1.00 23.89 ? 56 PRO B C 1 ATOM 1916 O O . PRO B 2 86 ? -0.574 -36.255 -0.470 1.00 24.70 ? 56 PRO B O 1 ATOM 1917 C CB . PRO B 2 86 ? -3.613 -35.187 0.283 1.00 21.20 ? 56 PRO B CB 1 ATOM 1918 C CG . PRO B 2 86 ? -4.918 -35.527 0.962 1.00 26.02 ? 56 PRO B CG 1 ATOM 1919 C CD . PRO B 2 86 ? -4.484 -36.367 2.120 1.00 21.17 ? 56 PRO B CD 1 ATOM 1920 N N . ALA B 2 87 ? -0.785 -35.848 1.742 1.00 19.88 ? 57 ALA B N 1 ATOM 1921 C CA . ALA B 2 87 ? 0.654 -35.576 1.954 1.00 19.16 ? 57 ALA B CA 1 ATOM 1922 C C . ALA B 2 87 ? 1.480 -36.876 1.993 1.00 23.22 ? 57 ALA B C 1 ATOM 1923 O O . ALA B 2 87 ? 2.487 -36.968 1.301 1.00 23.56 ? 57 ALA B O 1 ATOM 1924 C CB . ALA B 2 87 ? 0.868 -34.782 3.234 1.00 19.22 ? 57 ALA B CB 1 ATOM 1925 N N . ALA B 2 88 ? 1.035 -37.880 2.775 1.00 19.21 ? 58 ALA B N 1 ATOM 1926 C CA . ALA B 2 88 ? 1.701 -39.175 2.944 1.00 18.78 ? 58 ALA B CA 1 ATOM 1927 C C . ALA B 2 88 ? 1.877 -39.942 1.612 1.00 21.51 ? 58 ALA B C 1 ATOM 1928 O O . ALA B 2 88 ? 2.977 -40.413 1.342 1.00 19.69 ? 58 ALA B O 1 ATOM 1929 C CB . ALA B 2 88 ? 0.930 -40.028 3.939 1.00 20.03 ? 58 ALA B CB 1 ATOM 1930 N N . GLU B 2 89 ? 0.817 -40.043 0.788 1.00 19.82 ? 59 GLU B N 1 ATOM 1931 C CA . GLU B 2 89 ? 0.840 -40.741 -0.509 1.00 20.46 ? 59 GLU B CA 1 ATOM 1932 C C . GLU B 2 89 ? 1.778 -40.074 -1.530 1.00 22.57 ? 59 GLU B C 1 ATOM 1933 O O . GLU B 2 89 ? 2.466 -40.771 -2.267 1.00 21.91 ? 59 GLU B O 1 ATOM 1934 C CB . GLU B 2 89 ? -0.567 -40.812 -1.101 1.00 22.67 ? 59 GLU B CB 1 ATOM 1935 C CG . GLU B 2 89 ? -1.465 -41.831 -0.427 1.00 37.84 ? 59 GLU B CG 1 ATOM 1936 C CD . GLU B 2 89 ? -2.900 -41.856 -0.924 1.00 66.15 ? 59 GLU B CD 1 ATOM 1937 O OE1 . GLU B 2 89 ? -3.788 -42.265 -0.140 1.00 61.69 ? 59 GLU B OE1 1 ATOM 1938 O OE2 . GLU B 2 89 ? -3.140 -41.472 -2.094 1.00 62.11 -1 59 GLU B OE2 1 ATOM 1939 N N . TYR B 2 90 ? 1.779 -38.732 -1.571 1.00 18.46 ? 60 TYR B N 1 ATOM 1940 C CA . TYR B 2 90 ? 2.583 -37.901 -2.457 1.00 18.33 ? 60 TYR B CA 1 ATOM 1941 C C . TYR B 2 90 ? 4.074 -37.990 -2.103 1.00 22.72 ? 60 TYR B C 1 ATOM 1942 O O . TYR B 2 90 ? 4.897 -38.068 -3.009 1.00 23.52 ? 60 TYR B O 1 ATOM 1943 C CB . TYR B 2 90 ? 2.082 -36.453 -2.375 1.00 19.62 ? 60 TYR B CB 1 ATOM 1944 C CG . TYR B 2 90 ? 2.949 -35.417 -3.058 1.00 21.61 ? 60 TYR B CG 1 ATOM 1945 C CD1 . TYR B 2 90 ? 3.005 -35.332 -4.447 1.00 24.25 ? 60 TYR B CD1 1 ATOM 1946 C CD2 . TYR B 2 90 ? 3.632 -34.459 -2.319 1.00 22.16 ? 60 TYR B CD2 1 ATOM 1947 C CE1 . TYR B 2 90 ? 3.781 -34.364 -5.081 1.00 25.47 ? 60 TYR B CE1 1 ATOM 1948 C CE2 . TYR B 2 90 ? 4.405 -33.481 -2.941 1.00 23.59 ? 60 TYR B CE2 1 ATOM 1949 C CZ . TYR B 2 90 ? 4.474 -33.434 -4.323 1.00 31.51 ? 60 TYR B CZ 1 ATOM 1950 O OH . TYR B 2 90 ? 5.215 -32.456 -4.932 1.00 31.85 ? 60 TYR B OH 1 ATOM 1951 N N . TRP B 2 91 ? 4.426 -37.985 -0.804 1.00 18.31 ? 61 TRP B N 1 ATOM 1952 C CA . TRP B 2 91 ? 5.825 -38.095 -0.389 1.00 17.30 ? 61 TRP B CA 1 ATOM 1953 C C . TRP B 2 91 ? 6.325 -39.529 -0.547 1.00 21.52 ? 61 TRP B C 1 ATOM 1954 O O . TRP B 2 91 ? 7.512 -39.728 -0.797 1.00 21.28 ? 61 TRP B O 1 ATOM 1955 C CB . TRP B 2 91 ? 6.014 -37.604 1.049 1.00 15.17 ? 61 TRP B CB 1 ATOM 1956 C CG . TRP B 2 91 ? 5.663 -36.156 1.258 1.00 15.41 ? 61 TRP B CG 1 ATOM 1957 C CD1 . TRP B 2 91 ? 5.847 -35.125 0.378 1.00 18.22 ? 61 TRP B CD1 1 ATOM 1958 C CD2 . TRP B 2 91 ? 5.133 -35.572 2.457 1.00 14.81 ? 61 TRP B CD2 1 ATOM 1959 N NE1 . TRP B 2 91 ? 5.441 -33.940 0.946 1.00 17.33 ? 61 TRP B NE1 1 ATOM 1960 C CE2 . TRP B 2 91 ? 4.995 -34.184 2.222 1.00 18.16 ? 61 TRP B CE2 1 ATOM 1961 C CE3 . TRP B 2 91 ? 4.765 -36.090 3.715 1.00 15.84 ? 61 TRP B CE3 1 ATOM 1962 C CZ2 . TRP B 2 91 ? 4.519 -33.303 3.199 1.00 16.89 ? 61 TRP B CZ2 1 ATOM 1963 C CZ3 . TRP B 2 91 ? 4.307 -35.217 4.689 1.00 16.94 ? 61 TRP B CZ3 1 ATOM 1964 C CH2 . TRP B 2 91 ? 4.171 -33.843 4.424 1.00 17.35 ? 61 TRP B CH2 1 ATOM 1965 N N . ASN B 2 92 ? 5.416 -40.522 -0.451 1.00 17.84 ? 62 ASN B N 1 ATOM 1966 C CA . ASN B 2 92 ? 5.738 -41.934 -0.656 1.00 18.37 ? 62 ASN B CA 1 ATOM 1967 C C . ASN B 2 92 ? 5.889 -42.271 -2.152 1.00 24.36 ? 62 ASN B C 1 ATOM 1968 O O . ASN B 2 92 ? 6.475 -43.306 -2.479 1.00 25.70 ? 62 ASN B O 1 ATOM 1969 C CB . ASN B 2 92 ? 4.701 -42.840 -0.010 1.00 15.63 ? 62 ASN B CB 1 ATOM 1970 C CG . ASN B 2 92 ? 4.919 -43.029 1.470 1.00 28.31 ? 62 ASN B CG 1 ATOM 1971 O OD1 . ASN B 2 92 ? 5.978 -42.702 2.022 1.00 16.41 ? 62 ASN B OD1 1 ATOM 1972 N ND2 . ASN B 2 92 ? 3.909 -43.572 2.146 1.00 18.78 ? 62 ASN B ND2 1 ATOM 1973 N N . SER B 2 93 ? 5.386 -41.395 -3.048 1.00 20.72 ? 63 SER B N 1 ATOM 1974 C CA . SER B 2 93 ? 5.508 -41.552 -4.500 1.00 21.37 ? 63 SER B CA 1 ATOM 1975 C C . SER B 2 93 ? 6.846 -40.956 -5.012 1.00 27.21 ? 63 SER B C 1 ATOM 1976 O O . SER B 2 93 ? 7.197 -41.130 -6.181 1.00 27.97 ? 63 SER B O 1 ATOM 1977 C CB . SER B 2 93 ? 4.330 -40.883 -5.205 1.00 23.40 ? 63 SER B CB 1 ATOM 1978 O OG . SER B 2 93 ? 4.507 -39.479 -5.263 1.00 30.35 ? 63 SER B OG 1 ATOM 1979 N N . GLN B 2 94 ? 7.563 -40.225 -4.142 1.00 23.77 ? 64 GLN B N 1 ATOM 1980 C CA . GLN B 2 94 ? 8.819 -39.566 -4.487 1.00 22.96 ? 64 GLN B CA 1 ATOM 1981 C C . GLN B 2 94 ? 9.960 -40.311 -3.844 1.00 27.38 ? 64 GLN B C 1 ATOM 1982 O O . GLN B 2 94 ? 10.235 -40.113 -2.658 1.00 26.55 ? 64 GLN B O 1 ATOM 1983 C CB . GLN B 2 94 ? 8.794 -38.095 -4.043 1.00 23.32 ? 64 GLN B CB 1 ATOM 1984 C CG . GLN B 2 94 ? 7.918 -37.203 -4.903 1.00 29.90 ? 64 GLN B CG 1 ATOM 1985 C CD . GLN B 2 94 ? 7.709 -35.877 -4.227 1.00 44.42 ? 64 GLN B CD 1 ATOM 1986 O OE1 . GLN B 2 94 ? 6.778 -35.695 -3.436 1.00 35.49 ? 64 GLN B OE1 1 ATOM 1987 N NE2 . GLN B 2 94 ? 8.593 -34.930 -4.499 1.00 38.35 ? 64 GLN B NE2 1 ATOM 1988 N N . LYS B 2 95 ? 10.607 -41.196 -4.625 1.00 25.31 ? 65 LYS B N 1 ATOM 1989 C CA . LYS B 2 95 ? 11.702 -42.046 -4.162 1.00 25.68 ? 65 LYS B CA 1 ATOM 1990 C C . LYS B 2 95 ? 12.883 -41.224 -3.622 1.00 29.98 ? 65 LYS B C 1 ATOM 1991 O O . LYS B 2 95 ? 13.558 -41.693 -2.707 1.00 29.55 ? 65 LYS B O 1 ATOM 1992 C CB . LYS B 2 95 ? 12.160 -43.048 -5.245 1.00 28.93 ? 65 LYS B CB 1 ATOM 1993 C CG . LYS B 2 95 ? 12.791 -42.459 -6.503 1.00 50.60 ? 65 LYS B CG 1 ATOM 1994 C CD . LYS B 2 95 ? 13.779 -43.445 -7.146 1.00 65.08 ? 65 LYS B CD 1 ATOM 1995 C CE . LYS B 2 95 ? 13.192 -44.273 -8.271 1.00 77.47 ? 65 LYS B CE 1 ATOM 1996 N NZ . LYS B 2 95 ? 13.041 -43.487 -9.526 1.00 87.66 1 65 LYS B NZ 1 ATOM 1997 N N . GLU B 2 96 ? 13.098 -39.997 -4.149 1.00 26.91 ? 66 GLU B N 1 ATOM 1998 C CA . GLU B 2 96 ? 14.160 -39.092 -3.701 1.00 26.96 ? 66 GLU B CA 1 ATOM 1999 C C . GLU B 2 96 ? 13.870 -38.587 -2.277 1.00 29.29 ? 66 GLU B C 1 ATOM 2000 O O . GLU B 2 96 ? 14.804 -38.482 -1.474 1.00 29.52 ? 66 GLU B O 1 ATOM 2001 C CB . GLU B 2 96 ? 14.331 -37.910 -4.677 1.00 28.93 ? 66 GLU B CB 1 ATOM 2002 C CG . GLU B 2 96 ? 15.666 -37.186 -4.561 1.00 43.85 ? 66 GLU B CG 1 ATOM 2003 C CD . GLU B 2 96 ? 15.595 -35.783 -3.982 1.00 70.57 ? 66 GLU B CD 1 ATOM 2004 O OE1 . GLU B 2 96 ? 15.295 -34.839 -4.751 1.00 62.75 ? 66 GLU B OE1 1 ATOM 2005 O OE2 . GLU B 2 96 ? 15.853 -35.624 -2.765 1.00 67.23 -1 66 GLU B OE2 1 ATOM 2006 N N . VAL B 2 97 ? 12.577 -38.287 -1.970 1.00 23.70 ? 67 VAL B N 1 ATOM 2007 C CA . VAL B 2 97 ? 12.109 -37.812 -0.655 1.00 21.99 ? 67 VAL B CA 1 ATOM 2008 C C . VAL B 2 97 ? 12.307 -38.945 0.379 1.00 25.35 ? 67 VAL B C 1 ATOM 2009 O O . VAL B 2 97 ? 12.839 -38.697 1.467 1.00 24.89 ? 67 VAL B O 1 ATOM 2010 C CB . VAL B 2 97 ? 10.628 -37.297 -0.712 1.00 24.82 ? 67 VAL B CB 1 ATOM 2011 C CG1 . VAL B 2 97 ? 10.028 -37.105 0.683 1.00 23.73 ? 67 VAL B CG1 1 ATOM 2012 C CG2 . VAL B 2 97 ? 10.513 -36.006 -1.522 1.00 24.27 ? 67 VAL B CG2 1 ATOM 2013 N N . LEU B 2 98 ? 11.901 -40.177 0.019 1.00 21.55 ? 68 LEU B N 1 ATOM 2014 C CA . LEU B 2 98 ? 12.014 -41.362 0.875 1.00 21.28 ? 68 LEU B CA 1 ATOM 2015 C C . LEU B 2 98 ? 13.470 -41.648 1.251 1.00 25.77 ? 68 LEU B C 1 ATOM 2016 O O . LEU B 2 98 ? 13.765 -41.849 2.427 1.00 25.72 ? 68 LEU B O 1 ATOM 2017 C CB . LEU B 2 98 ? 11.385 -42.593 0.190 1.00 22.03 ? 68 LEU B CB 1 ATOM 2018 C CG . LEU B 2 98 ? 9.878 -42.786 0.374 1.00 26.25 ? 68 LEU B CG 1 ATOM 2019 C CD1 . LEU B 2 98 ? 9.335 -43.762 -0.639 1.00 26.99 ? 68 LEU B CD1 1 ATOM 2020 C CD2 . LEU B 2 98 ? 9.538 -43.269 1.791 1.00 26.98 ? 68 LEU B CD2 1 ATOM 2021 N N . GLU B 2 99 ? 14.374 -41.612 0.261 1.00 22.90 ? 69 GLU B N 1 ATOM 2022 C CA . GLU B 2 99 ? 15.812 -41.831 0.427 1.00 22.77 ? 69 GLU B CA 1 ATOM 2023 C C . GLU B 2 99 ? 16.423 -40.816 1.387 1.00 23.82 ? 69 GLU B C 1 ATOM 2024 O O . GLU B 2 99 ? 17.130 -41.201 2.319 1.00 23.60 ? 69 GLU B O 1 ATOM 2025 C CB . GLU B 2 99 ? 16.523 -41.733 -0.935 1.00 25.02 ? 69 GLU B CB 1 ATOM 2026 C CG . GLU B 2 99 ? 16.396 -42.971 -1.801 1.00 37.22 ? 69 GLU B CG 1 ATOM 2027 C CD . GLU B 2 99 ? 16.981 -42.857 -3.193 1.00 63.92 ? 69 GLU B CD 1 ATOM 2028 O OE1 . GLU B 2 99 ? 17.314 -41.728 -3.624 1.00 61.85 ? 69 GLU B OE1 1 ATOM 2029 O OE2 . GLU B 2 99 ? 17.088 -43.907 -3.866 1.00 63.49 -1 69 GLU B OE2 1 ATOM 2030 N N . ARG B 2 100 ? 16.162 -39.521 1.147 1.00 18.48 ? 70 ARG B N 1 ATOM 2031 C CA . ARG B 2 100 ? 16.674 -38.437 1.980 1.00 17.21 ? 70 ARG B CA 1 ATOM 2032 C C . ARG B 2 100 ? 16.145 -38.565 3.413 1.00 20.20 ? 70 ARG B C 1 ATOM 2033 O O . ARG B 2 100 ? 16.935 -38.446 4.343 1.00 20.61 ? 70 ARG B O 1 ATOM 2034 C CB . ARG B 2 100 ? 16.324 -37.069 1.372 1.00 16.36 ? 70 ARG B CB 1 ATOM 2035 C CG . ARG B 2 100 ? 16.804 -35.890 2.211 1.00 24.34 ? 70 ARG B CG 1 ATOM 2036 C CD . ARG B 2 100 ? 15.994 -34.627 1.995 1.00 34.22 ? 70 ARG B CD 1 ATOM 2037 N NE . ARG B 2 100 ? 14.539 -34.799 2.133 1.00 41.55 ? 70 ARG B NE 1 ATOM 2038 C CZ . ARG B 2 100 ? 13.866 -34.717 3.282 1.00 57.04 ? 70 ARG B CZ 1 ATOM 2039 N NH1 . ARG B 2 100 ? 12.547 -34.867 3.298 1.00 37.15 1 70 ARG B NH1 1 ATOM 2040 N NH2 . ARG B 2 100 ? 14.506 -34.484 4.420 1.00 51.15 ? 70 ARG B NH2 1 ATOM 2041 N N . THR B 2 101 ? 14.842 -38.857 3.593 1.00 15.52 ? 71 THR B N 1 ATOM 2042 C CA . THR B 2 101 ? 14.252 -38.997 4.932 1.00 15.02 ? 71 THR B CA 1 ATOM 2043 C C . THR B 2 101 ? 14.821 -40.235 5.659 1.00 20.21 ? 71 THR B C 1 ATOM 2044 O O . THR B 2 101 ? 15.201 -40.107 6.825 1.00 20.00 ? 71 THR B O 1 ATOM 2045 C CB . THR B 2 101 ? 12.718 -38.995 4.895 1.00 20.47 ? 71 THR B CB 1 ATOM 2046 O OG1 . THR B 2 101 ? 12.299 -37.921 4.058 1.00 19.72 ? 71 THR B OG1 1 ATOM 2047 C CG2 . THR B 2 101 ? 12.118 -38.788 6.270 1.00 16.16 ? 71 THR B CG2 1 ATOM 2048 N N . ARG B 2 102 ? 14.926 -41.402 4.979 1.00 16.74 ? 72 ARG B N 1 ATOM 2049 C CA . ARG B 2 102 ? 15.524 -42.595 5.602 1.00 16.78 ? 72 ARG B CA 1 ATOM 2050 C C . ARG B 2 102 ? 16.981 -42.337 6.045 1.00 21.92 ? 72 ARG B C 1 ATOM 2051 O O . ARG B 2 102 ? 17.390 -42.782 7.121 1.00 22.99 ? 72 ARG B O 1 ATOM 2052 C CB . ARG B 2 102 ? 15.492 -43.783 4.645 1.00 15.19 ? 72 ARG B CB 1 ATOM 2053 C CG . ARG B 2 102 ? 14.126 -44.382 4.464 1.00 16.08 ? 72 ARG B CG 1 ATOM 2054 C CD . ARG B 2 102 ? 14.066 -45.179 3.192 1.00 18.19 ? 72 ARG B CD 1 ATOM 2055 N NE . ARG B 2 102 ? 12.718 -45.697 2.963 1.00 25.18 ? 72 ARG B NE 1 ATOM 2056 C CZ . ARG B 2 102 ? 12.308 -46.259 1.832 1.00 40.11 ? 72 ARG B CZ 1 ATOM 2057 N NH1 . ARG B 2 102 ? 13.134 -46.370 0.799 1.00 23.38 1 72 ARG B NH1 1 ATOM 2058 N NH2 . ARG B 2 102 ? 11.064 -46.702 1.719 1.00 32.70 ? 72 ARG B NH2 1 ATOM 2059 N N . ALA B 2 103 ? 17.747 -41.592 5.225 1.00 17.96 ? 73 ALA B N 1 ATOM 2060 C CA . ALA B 2 103 ? 19.150 -41.262 5.476 1.00 17.14 ? 73 ALA B CA 1 ATOM 2061 C C . ALA B 2 103 ? 19.327 -40.279 6.642 1.00 19.89 ? 73 ALA B C 1 ATOM 2062 O O . ALA B 2 103 ? 20.412 -40.228 7.228 1.00 18.22 ? 73 ALA B O 1 ATOM 2063 C CB . ALA B 2 103 ? 19.779 -40.686 4.216 1.00 17.85 ? 73 ALA B CB 1 ATOM 2064 N N . GLU B 2 104 ? 18.260 -39.522 6.992 1.00 17.32 ? 74 GLU B N 1 ATOM 2065 C CA . GLU B 2 104 ? 18.281 -38.549 8.089 1.00 17.28 ? 74 GLU B CA 1 ATOM 2066 C C . GLU B 2 104 ? 18.622 -39.200 9.430 1.00 21.30 ? 74 GLU B C 1 ATOM 2067 O O . GLU B 2 104 ? 19.194 -38.519 10.277 1.00 21.77 ? 74 GLU B O 1 ATOM 2068 C CB . GLU B 2 104 ? 16.980 -37.767 8.182 1.00 18.26 ? 74 GLU B CB 1 ATOM 2069 C CG . GLU B 2 104 ? 16.922 -36.660 7.149 1.00 26.50 ? 74 GLU B CG 1 ATOM 2070 C CD . GLU B 2 104 ? 15.650 -35.840 7.095 1.00 37.98 ? 74 GLU B CD 1 ATOM 2071 O OE1 . GLU B 2 104 ? 14.546 -36.429 7.132 1.00 45.70 ? 74 GLU B OE1 1 ATOM 2072 O OE2 . GLU B 2 104 ? 15.762 -34.604 6.940 1.00 17.87 -1 74 GLU B OE2 1 ATOM 2073 N N . LEU B 2 105 ? 18.367 -40.522 9.593 1.00 17.62 ? 75 LEU B N 1 ATOM 2074 C CA . LEU B 2 105 ? 18.762 -41.274 10.790 1.00 18.46 ? 75 LEU B CA 1 ATOM 2075 C C . LEU B 2 105 ? 20.302 -41.181 10.977 1.00 24.58 ? 75 LEU B C 1 ATOM 2076 O O . LEU B 2 105 ? 20.783 -41.132 12.107 1.00 24.74 ? 75 LEU B O 1 ATOM 2077 C CB . LEU B 2 105 ? 18.295 -42.745 10.689 1.00 19.37 ? 75 LEU B CB 1 ATOM 2078 C CG . LEU B 2 105 ? 18.434 -43.625 11.950 1.00 23.84 ? 75 LEU B CG 1 ATOM 2079 C CD1 . LEU B 2 105 ? 17.408 -43.248 13.022 1.00 23.84 ? 75 LEU B CD1 1 ATOM 2080 C CD2 . LEU B 2 105 ? 18.288 -45.089 11.603 1.00 24.55 ? 75 LEU B CD2 1 ATOM 2081 N N . ASP B 2 106 ? 21.057 -41.084 9.860 1.00 22.32 ? 76 ASP B N 1 ATOM 2082 C CA . ASP B 2 106 ? 22.513 -40.920 9.888 1.00 22.51 ? 76 ASP B CA 1 ATOM 2083 C C . ASP B 2 106 ? 22.908 -39.455 9.833 1.00 24.44 ? 76 ASP B C 1 ATOM 2084 O O . ASP B 2 106 ? 23.671 -39.010 10.683 1.00 24.10 ? 76 ASP B O 1 ATOM 2085 C CB . ASP B 2 106 ? 23.197 -41.662 8.726 1.00 25.46 ? 76 ASP B CB 1 ATOM 2086 C CG . ASP B 2 106 ? 23.187 -43.172 8.798 1.00 37.14 ? 76 ASP B CG 1 ATOM 2087 O OD1 . ASP B 2 106 ? 23.822 -43.727 9.726 1.00 37.94 ? 76 ASP B OD1 1 ATOM 2088 O OD2 . ASP B 2 106 ? 22.646 -43.804 7.862 1.00 44.26 -1 76 ASP B OD2 1 ATOM 2089 N N . THR B 2 107 ? 22.402 -38.709 8.828 1.00 20.43 ? 77 THR B N 1 ATOM 2090 C CA . THR B 2 107 ? 22.783 -37.306 8.570 1.00 19.94 ? 77 THR B CA 1 ATOM 2091 C C . THR B 2 107 ? 22.317 -36.344 9.670 1.00 22.36 ? 77 THR B C 1 ATOM 2092 O O . THR B 2 107 ? 22.895 -35.261 9.800 1.00 22.71 ? 77 THR B O 1 ATOM 2093 C CB . THR B 2 107 ? 22.314 -36.814 7.180 1.00 25.41 ? 77 THR B CB 1 ATOM 2094 O OG1 . THR B 2 107 ? 20.886 -36.734 7.128 1.00 23.12 ? 77 THR B OG1 1 ATOM 2095 C CG2 . THR B 2 107 ? 22.862 -37.662 6.032 1.00 23.36 ? 77 THR B CG2 1 ATOM 2096 N N . VAL B 2 108 ? 21.300 -36.725 10.459 1.00 16.32 ? 78 VAL B N 1 ATOM 2097 C CA . VAL B 2 108 ? 20.838 -35.860 11.540 1.00 14.77 ? 78 VAL B CA 1 ATOM 2098 C C . VAL B 2 108 ? 21.033 -36.551 12.909 1.00 18.92 ? 78 VAL B C 1 ATOM 2099 O O . VAL B 2 108 ? 21.849 -36.067 13.689 1.00 18.85 ? 78 VAL B O 1 ATOM 2100 C CB . VAL B 2 108 ? 19.391 -35.316 11.380 1.00 16.76 ? 78 VAL B CB 1 ATOM 2101 C CG1 . VAL B 2 108 ? 19.113 -34.231 12.424 1.00 15.30 ? 78 VAL B CG1 1 ATOM 2102 C CG2 . VAL B 2 108 ? 19.136 -34.785 9.965 1.00 16.53 ? 78 VAL B CG2 1 ATOM 2103 N N . CYS B 2 109 ? 20.301 -37.655 13.196 1.00 16.17 ? 79 CYS B N 1 ATOM 2104 C CA . CYS B 2 109 ? 20.333 -38.338 14.496 1.00 17.30 ? 79 CYS B CA 1 ATOM 2105 C C . CYS B 2 109 ? 21.736 -38.807 14.929 1.00 20.26 ? 79 CYS B C 1 ATOM 2106 O O . CYS B 2 109 ? 22.227 -38.334 15.950 1.00 18.84 ? 79 CYS B O 1 ATOM 2107 C CB . CYS B 2 109 ? 19.334 -39.492 14.541 1.00 18.67 ? 79 CYS B CB 1 ATOM 2108 S SG . CYS B 2 109 ? 17.603 -38.990 14.356 1.00 22.49 ? 79 CYS B SG 1 ATOM 2109 N N . ARG B 2 110 ? 22.355 -39.748 14.194 1.00 17.90 ? 80 ARG B N 1 ATOM 2110 C CA . ARG B 2 110 ? 23.677 -40.285 14.534 1.00 18.28 ? 80 ARG B CA 1 ATOM 2111 C C . ARG B 2 110 ? 24.748 -39.195 14.478 1.00 22.81 ? 80 ARG B C 1 ATOM 2112 O O . ARG B 2 110 ? 25.634 -39.163 15.339 1.00 23.55 ? 80 ARG B O 1 ATOM 2113 C CB . ARG B 2 110 ? 24.053 -41.451 13.615 1.00 17.11 ? 80 ARG B CB 1 ATOM 2114 C CG . ARG B 2 110 ? 23.328 -42.741 13.966 1.00 26.62 ? 80 ARG B CG 1 ATOM 2115 C CD . ARG B 2 110 ? 23.837 -43.902 13.135 1.00 34.15 ? 80 ARG B CD 1 ATOM 2116 N NE . ARG B 2 110 ? 23.195 -45.153 13.530 1.00 37.60 ? 80 ARG B NE 1 ATOM 2117 C CZ . ARG B 2 110 ? 22.275 -45.784 12.810 1.00 47.41 ? 80 ARG B CZ 1 ATOM 2118 N NH1 . ARG B 2 110 ? 21.895 -45.301 11.632 1.00 30.97 1 80 ARG B NH1 1 ATOM 2119 N NH2 . ARG B 2 110 ? 21.731 -46.907 13.258 1.00 33.51 ? 80 ARG B NH2 1 ATOM 2120 N N . HIS B 2 111 ? 24.648 -38.298 13.524 1.00 18.40 ? 81 HIS B N 1 ATOM 2121 C CA . HIS B 2 111 ? 25.537 -37.179 13.441 1.00 17.91 ? 81 HIS B CA 1 ATOM 2122 C C . HIS B 2 111 ? 25.493 -36.284 14.658 1.00 21.60 ? 81 HIS B C 1 ATOM 2123 O O . HIS B 2 111 ? 26.497 -36.050 15.259 1.00 22.63 ? 81 HIS B O 1 ATOM 2124 C CB . HIS B 2 111 ? 25.280 -36.364 12.197 1.00 18.26 ? 81 HIS B CB 1 ATOM 2125 C CG . HIS B 2 111 ? 26.170 -35.179 12.072 1.00 21.54 ? 81 HIS B CG 1 ATOM 2126 N ND1 . HIS B 2 111 ? 27.438 -35.258 11.571 1.00 23.83 ? 81 HIS B ND1 1 ATOM 2127 C CD2 . HIS B 2 111 ? 25.972 -33.887 12.381 1.00 22.60 ? 81 HIS B CD2 1 ATOM 2128 C CE1 . HIS B 2 111 ? 27.988 -34.069 11.594 1.00 23.18 ? 81 HIS B CE1 1 ATOM 2129 N NE2 . HIS B 2 111 ? 27.123 -33.223 12.098 1.00 22.88 ? 81 HIS B NE2 1 ATOM 2130 N N . ASN B 2 112 ? 24.336 -35.749 14.970 1.00 16.26 ? 82 ASN B N 1 ATOM 2131 C CA . ASN B 2 112 ? 24.160 -34.854 16.116 1.00 15.52 ? 82 ASN B CA 1 ATOM 2132 C C . ASN B 2 112 ? 24.416 -35.539 17.463 1.00 21.22 ? 82 ASN B C 1 ATOM 2133 O O . ASN B 2 112 ? 24.795 -34.845 18.409 1.00 22.41 ? 82 ASN B O 1 ATOM 2134 C CB . ASN B 2 112 ? 22.781 -34.208 16.104 1.00 11.18 ? 82 ASN B CB 1 ATOM 2135 C CG . ASN B 2 112 ? 22.632 -33.184 15.000 1.00 21.37 ? 82 ASN B CG 1 ATOM 2136 O OD1 . ASN B 2 112 ? 23.573 -32.866 14.287 1.00 7.03 ? 82 ASN B OD1 1 ATOM 2137 N ND2 . ASN B 2 112 ? 21.454 -32.616 14.854 1.00 13.73 ? 82 ASN B ND2 1 ATOM 2138 N N . TYR B 2 113 ? 24.255 -36.880 17.550 1.00 16.92 ? 83 TYR B N 1 ATOM 2139 C CA . TYR B 2 113 ? 24.529 -37.607 18.790 1.00 16.61 ? 83 TYR B CA 1 ATOM 2140 C C . TYR B 2 113 ? 26.038 -37.541 19.120 1.00 21.43 ? 83 TYR B C 1 ATOM 2141 O O . TYR B 2 113 ? 26.391 -37.472 20.298 1.00 21.65 ? 83 TYR B O 1 ATOM 2142 C CB . TYR B 2 113 ? 24.040 -39.065 18.724 1.00 17.64 ? 83 TYR B CB 1 ATOM 2143 C CG . TYR B 2 113 ? 24.128 -39.767 20.061 1.00 19.04 ? 83 TYR B CG 1 ATOM 2144 C CD1 . TYR B 2 113 ? 23.138 -39.598 21.027 1.00 19.88 ? 83 TYR B CD1 1 ATOM 2145 C CD2 . TYR B 2 113 ? 25.223 -40.565 20.382 1.00 20.87 ? 83 TYR B CD2 1 ATOM 2146 C CE1 . TYR B 2 113 ? 23.227 -40.219 22.270 1.00 19.84 ? 83 TYR B CE1 1 ATOM 2147 C CE2 . TYR B 2 113 ? 25.321 -41.193 21.625 1.00 22.39 ? 83 TYR B CE2 1 ATOM 2148 C CZ . TYR B 2 113 ? 24.323 -41.011 22.568 1.00 27.72 ? 83 TYR B CZ 1 ATOM 2149 O OH . TYR B 2 113 ? 24.412 -41.628 23.793 1.00 27.19 ? 83 TYR B OH 1 ATOM 2150 N N . GLN B 2 114 ? 26.910 -37.544 18.083 1.00 17.52 ? 84 GLN B N 1 ATOM 2151 C CA . GLN B 2 114 ? 28.372 -37.426 18.220 1.00 17.08 ? 84 GLN B CA 1 ATOM 2152 C C . GLN B 2 114 ? 28.731 -36.067 18.806 1.00 21.66 ? 84 GLN B C 1 ATOM 2153 O O . GLN B 2 114 ? 29.679 -35.963 19.583 1.00 23.48 ? 84 GLN B O 1 ATOM 2154 C CB . GLN B 2 114 ? 29.089 -37.643 16.868 1.00 18.42 ? 84 GLN B CB 1 ATOM 2155 C CG . GLN B 2 114 ? 29.112 -39.107 16.397 1.00 30.48 ? 84 GLN B CG 1 ATOM 2156 C CD . GLN B 2 114 ? 29.541 -40.075 17.486 1.00 50.21 ? 84 GLN B CD 1 ATOM 2157 O OE1 . GLN B 2 114 ? 30.663 -40.016 17.997 1.00 48.77 ? 84 GLN B OE1 1 ATOM 2158 N NE2 . GLN B 2 114 ? 28.632 -40.949 17.913 1.00 38.08 ? 84 GLN B NE2 1 ATOM 2159 N N . LEU B 2 115 ? 27.932 -35.045 18.466 1.00 16.87 ? 85 LEU B N 1 ATOM 2160 C CA . LEU B 2 115 ? 28.053 -33.673 18.952 1.00 16.29 ? 85 LEU B CA 1 ATOM 2161 C C . LEU B 2 115 ? 27.468 -33.551 20.359 1.00 21.43 ? 85 LEU B C 1 ATOM 2162 O O . LEU B 2 115 ? 27.946 -32.730 21.145 1.00 21.02 ? 85 LEU B O 1 ATOM 2163 C CB . LEU B 2 115 ? 27.365 -32.697 17.986 1.00 15.54 ? 85 LEU B CB 1 ATOM 2164 C CG . LEU B 2 115 ? 27.894 -32.712 16.540 1.00 19.68 ? 85 LEU B CG 1 ATOM 2165 C CD1 . LEU B 2 115 ? 27.019 -31.897 15.634 1.00 18.67 ? 85 LEU B CD1 1 ATOM 2166 C CD2 . LEU B 2 115 ? 29.326 -32.215 16.470 1.00 23.28 ? 85 LEU B CD2 1 ATOM 2167 N N . GLU B 2 116 ? 26.471 -34.398 20.697 1.00 18.99 ? 86 GLU B N 1 ATOM 2168 C CA . GLU B 2 116 ? 25.868 -34.439 22.039 1.00 18.83 ? 86 GLU B CA 1 ATOM 2169 C C . GLU B 2 116 ? 26.854 -35.012 23.057 1.00 24.57 ? 86 GLU B C 1 ATOM 2170 O O . GLU B 2 116 ? 26.935 -34.498 24.174 1.00 24.86 ? 86 GLU B O 1 ATOM 2171 C CB . GLU B 2 116 ? 24.547 -35.239 22.059 1.00 19.81 ? 86 GLU B CB 1 ATOM 2172 C CG . GLU B 2 116 ? 23.417 -34.627 21.234 1.00 26.96 ? 86 GLU B CG 1 ATOM 2173 C CD . GLU B 2 116 ? 22.953 -33.214 21.552 1.00 34.70 ? 86 GLU B CD 1 ATOM 2174 O OE1 . GLU B 2 116 ? 23.473 -32.607 22.514 1.00 25.95 ? 86 GLU B OE1 1 ATOM 2175 O OE2 . GLU B 2 116 ? 22.070 -32.703 20.826 1.00 14.84 -1 86 GLU B OE2 1 ATOM 2176 N N . LEU B 2 117 ? 27.642 -36.032 22.652 1.00 21.66 ? 87 LEU B N 1 ATOM 2177 C CA . LEU B 2 117 ? 28.682 -36.669 23.479 1.00 21.97 ? 87 LEU B CA 1 ATOM 2178 C C . LEU B 2 117 ? 29.783 -35.685 23.882 1.00 27.09 ? 87 LEU B C 1 ATOM 2179 O O . LEU B 2 117 ? 30.442 -35.896 24.893 1.00 27.29 ? 87 LEU B O 1 ATOM 2180 C CB . LEU B 2 117 ? 29.339 -37.850 22.736 1.00 22.19 ? 87 LEU B CB 1 ATOM 2181 C CG . LEU B 2 117 ? 28.518 -39.098 22.459 1.00 26.09 ? 87 LEU B CG 1 ATOM 2182 C CD1 . LEU B 2 117 ? 29.272 -40.006 21.513 1.00 26.37 ? 87 LEU B CD1 1 ATOM 2183 C CD2 . LEU B 2 117 ? 28.166 -39.850 23.753 1.00 27.66 ? 87 LEU B CD2 1 ATOM 2184 N N . ARG B 2 118 ? 29.962 -34.629 23.102 1.00 24.01 ? 88 ARG B N 1 ATOM 2185 C CA . ARG B 2 118 ? 30.978 -33.625 23.340 1.00 23.71 ? 88 ARG B CA 1 ATOM 2186 C C . ARG B 2 118 ? 30.431 -32.451 24.057 1.00 27.04 ? 88 ARG B C 1 ATOM 2187 O O . ARG B 2 118 ? 31.164 -31.630 24.476 1.00 27.42 ? 88 ARG B O 1 ATOM 2188 C CB . ARG B 2 118 ? 31.622 -33.145 22.036 1.00 22.92 ? 88 ARG B CB 1 ATOM 2189 C CG . ARG B 2 118 ? 32.176 -34.228 21.162 1.00 34.22 ? 88 ARG B CG 1 ATOM 2190 C CD . ARG B 2 118 ? 32.357 -33.850 19.691 1.00 51.25 ? 88 ARG B CD 1 ATOM 2191 N NE . ARG B 2 118 ? 32.915 -34.971 18.897 1.00 65.27 ? 88 ARG B NE 1 ATOM 2192 C CZ . ARG B 2 118 ? 32.577 -35.336 17.654 1.00 77.88 ? 88 ARG B CZ 1 ATOM 2193 N NH1 . ARG B 2 118 ? 31.680 -34.673 16.948 1.00 63.78 1 88 ARG B NH1 1 ATOM 2194 N NH2 . ARG B 2 118 ? 33.165 -36.381 17.099 1.00 62.33 ? 88 ARG B NH2 1 ATOM 2195 N N . THR B 2 119 ? 29.124 -32.385 24.189 1.00 22.01 ? 89 THR B N 1 ATOM 2196 C CA . THR B 2 119 ? 28.469 -31.261 24.825 1.00 20.74 ? 89 THR B CA 1 ATOM 2197 C C . THR B 2 119 ? 27.483 -31.568 25.940 1.00 23.87 ? 89 THR B C 1 ATOM 2198 O O . THR B 2 119 ? 27.820 -31.479 27.068 1.00 24.10 ? 89 THR B O 1 ATOM 2199 C CB . THR B 2 119 ? 27.809 -30.325 23.789 1.00 25.35 ? 89 THR B CB 1 ATOM 2200 O OG1 . THR B 2 119 ? 27.030 -31.056 22.873 1.00 23.75 ? 89 THR B OG1 1 ATOM 2201 C CG2 . THR B 2 119 ? 28.814 -29.559 23.034 1.00 22.86 ? 89 THR B CG2 1 ATOM 2202 N N . THR B 2 120 ? 26.258 -31.909 25.601 1.00 19.08 ? 90 THR B N 1 ATOM 2203 C CA . THR B 2 120 ? 25.241 -32.205 26.567 1.00 18.72 ? 90 THR B CA 1 ATOM 2204 C C . THR B 2 120 ? 25.519 -33.360 27.520 1.00 23.64 ? 90 THR B C 1 ATOM 2205 O O . THR B 2 120 ? 25.204 -33.260 28.678 1.00 23.67 ? 90 THR B O 1 ATOM 2206 C CB . THR B 2 120 ? 23.858 -32.342 25.920 1.00 23.29 ? 90 THR B CB 1 ATOM 2207 O OG1 . THR B 2 120 ? 23.866 -33.354 24.954 1.00 26.00 ? 90 THR B OG1 1 ATOM 2208 C CG2 . THR B 2 120 ? 23.517 -31.156 25.248 1.00 19.67 ? 90 THR B CG2 1 ATOM 2209 N N . LEU B 2 121 ? 26.108 -34.426 26.997 1.00 19.17 ? 91 LEU B N 1 ATOM 2210 C CA . LEU B 2 121 ? 26.466 -35.644 27.717 1.00 18.48 ? 91 LEU B CA 1 ATOM 2211 C C . LEU B 2 121 ? 27.844 -35.532 28.414 1.00 24.19 ? 91 LEU B C 1 ATOM 2212 O O . LEU B 2 121 ? 28.291 -36.487 29.059 1.00 24.83 ? 91 LEU B O 1 ATOM 2213 C CB . LEU B 2 121 ? 26.379 -36.862 26.779 1.00 17.85 ? 91 LEU B CB 1 ATOM 2214 C CG . LEU B 2 121 ? 25.025 -37.027 26.043 1.00 21.13 ? 91 LEU B CG 1 ATOM 2215 C CD1 . LEU B 2 121 ? 25.065 -38.166 25.067 1.00 21.02 ? 91 LEU B CD1 1 ATOM 2216 C CD2 . LEU B 2 121 ? 23.866 -37.219 27.006 1.00 22.90 ? 91 LEU B CD2 1 ATOM 2217 N N . GLN B 2 122 ? 28.460 -34.335 28.356 1.00 20.98 ? 92 GLN B N 1 ATOM 2218 C CA . GLN B 2 122 ? 29.692 -33.997 29.077 1.00 21.31 ? 92 GLN B CA 1 ATOM 2219 C C . GLN B 2 122 ? 29.364 -33.217 30.359 1.00 23.67 ? 92 GLN B C 1 ATOM 2220 O O . GLN B 2 122 ? 30.061 -33.364 31.363 1.00 23.56 ? 92 GLN B O 1 ATOM 2221 C CB . GLN B 2 122 ? 30.636 -33.142 28.203 1.00 22.99 ? 92 GLN B CB 1 ATOM 2222 C CG . GLN B 2 122 ? 31.439 -33.924 27.173 1.00 37.24 ? 92 GLN B CG 1 ATOM 2223 C CD . GLN B 2 122 ? 32.614 -34.709 27.712 1.00 49.36 ? 92 GLN B CD 1 ATOM 2224 O OE1 . GLN B 2 122 ? 32.943 -34.686 28.907 1.00 49.51 ? 92 GLN B OE1 1 ATOM 2225 N NE2 . GLN B 2 122 ? 33.284 -35.422 26.821 1.00 32.11 ? 92 GLN B NE2 1 ATOM 2226 N N . ARG B 2 123 ? 28.315 -32.359 30.290 1.00 18.81 ? 93 ARG B N 1 ATOM 2227 C CA . ARG B 2 123 ? 27.865 -31.431 31.328 1.00 18.36 ? 93 ARG B CA 1 ATOM 2228 C C . ARG B 2 123 ? 27.618 -32.125 32.666 1.00 23.73 ? 93 ARG B C 1 ATOM 2229 O O . ARG B 2 123 ? 26.803 -33.044 32.763 1.00 23.42 ? 93 ARG B O 1 ATOM 2230 C CB . ARG B 2 123 ? 26.603 -30.681 30.863 1.00 16.53 ? 93 ARG B CB 1 ATOM 2231 C CG . ARG B 2 123 ? 26.082 -29.628 31.845 1.00 21.02 ? 93 ARG B CG 1 ATOM 2232 C CD . ARG B 2 123 ? 25.005 -28.786 31.182 1.00 19.32 ? 93 ARG B CD 1 ATOM 2233 N NE . ARG B 2 123 ? 24.310 -27.876 32.099 1.00 19.39 ? 93 ARG B NE 1 ATOM 2234 C CZ . ARG B 2 123 ? 24.770 -26.692 32.489 1.00 23.21 ? 93 ARG B CZ 1 ATOM 2235 N NH1 . ARG B 2 123 ? 25.966 -26.274 32.098 1.00 6.61 1 93 ARG B NH1 1 ATOM 2236 N NH2 . ARG B 2 123 ? 24.056 -25.937 33.309 1.00 13.50 ? 93 ARG B NH2 1 ATOM 2237 N N . ARG B 2 124 ? 28.358 -31.685 33.689 1.00 21.25 ? 94 ARG B N 1 ATOM 2238 C CA . ARG B 2 124 ? 28.228 -32.202 35.043 1.00 21.98 ? 94 ARG B CA 1 ATOM 2239 C C . ARG B 2 124 ? 28.229 -31.023 36.029 1.00 26.33 ? 94 ARG B C 1 ATOM 2240 O O . ARG B 2 124 ? 29.274 -30.430 36.316 1.00 27.94 ? 94 ARG B O 1 ATOM 2241 C CB . ARG B 2 124 ? 29.267 -33.306 35.389 1.00 23.50 ? 94 ARG B CB 1 ATOM 2242 C CG . ARG B 2 124 ? 30.711 -33.085 34.954 1.00 34.07 ? 94 ARG B CG 1 ATOM 2243 C CD . ARG B 2 124 ? 31.512 -34.377 35.051 1.00 40.37 ? 94 ARG B CD 1 ATOM 2244 N NE . ARG B 2 124 ? 31.715 -34.983 33.734 1.00 43.18 ? 94 ARG B NE 1 ATOM 2245 C CZ . ARG B 2 124 ? 32.050 -36.252 33.525 1.00 54.68 ? 94 ARG B CZ 1 ATOM 2246 N NH1 . ARG B 2 124 ? 32.215 -37.080 34.549 1.00 41.84 1 94 ARG B NH1 1 ATOM 2247 N NH2 . ARG B 2 124 ? 32.207 -36.707 32.289 1.00 37.46 ? 94 ARG B NH2 1 ATOM 2248 N N . VAL B 2 125 ? 27.047 -30.644 36.466 1.00 21.06 ? 95 VAL B N 1 ATOM 2249 C CA . VAL B 2 125 ? 26.863 -29.568 37.409 1.00 20.71 ? 95 VAL B CA 1 ATOM 2250 C C . VAL B 2 125 ? 26.505 -30.140 38.771 1.00 24.11 ? 95 VAL B C 1 ATOM 2251 O O . VAL B 2 125 ? 25.494 -30.743 38.956 1.00 22.48 ? 95 VAL B O 1 ATOM 2252 C CB . VAL B 2 125 ? 25.815 -28.516 36.973 1.00 24.01 ? 95 VAL B CB 1 ATOM 2253 C CG1 . VAL B 2 125 ? 25.797 -27.346 37.932 1.00 24.17 ? 95 VAL B CG1 1 ATOM 2254 C CG2 . VAL B 2 125 ? 26.062 -28.024 35.563 1.00 23.24 ? 95 VAL B CG2 1 ATOM 2255 N N . GLU B 2 126 ? 27.414 -29.944 39.700 1.00 22.70 ? 96 GLU B N 1 ATOM 2256 C CA . GLU B 2 126 ? 27.288 -30.395 41.064 1.00 23.56 ? 96 GLU B CA 1 ATOM 2257 C C . GLU B 2 126 ? 26.192 -29.675 41.808 1.00 28.52 ? 96 GLU B C 1 ATOM 2258 O O . GLU B 2 126 ? 25.986 -28.491 41.684 1.00 28.89 ? 96 GLU B O 1 ATOM 2259 C CB . GLU B 2 126 ? 28.599 -30.251 41.807 1.00 25.57 ? 96 GLU B CB 1 ATOM 2260 C CG . GLU B 2 126 ? 29.586 -31.355 41.550 1.00 38.77 ? 96 GLU B CG 1 ATOM 2261 C CD . GLU B 2 126 ? 30.957 -31.062 42.124 1.00 68.64 ? 96 GLU B CD 1 ATOM 2262 O OE1 . GLU B 2 126 ? 31.046 -30.347 43.132 1.00 72.16 ? 96 GLU B OE1 1 ATOM 2263 O OE2 . GLU B 2 126 ? 31.949 -31.542 41.570 1.00 64.11 -1 96 GLU B OE2 1 ATOM 2264 N N . PRO B 2 127 ? 25.445 -30.543 42.608 1.00 24.99 ? 97 PRO B N 1 ATOM 2265 C CA . PRO B 2 127 ? 24.367 -29.880 43.338 1.00 25.47 ? 97 PRO B CA 1 ATOM 2266 C C . PRO B 2 127 ? 24.801 -29.000 44.527 1.00 30.40 ? 97 PRO B C 1 ATOM 2267 O O . PRO B 2 127 ? 25.788 -29.244 45.142 1.00 30.75 ? 97 PRO B O 1 ATOM 2268 C CB . PRO B 2 127 ? 23.540 -31.032 43.879 1.00 27.43 ? 97 PRO B CB 1 ATOM 2269 C CG . PRO B 2 127 ? 23.971 -32.238 43.189 1.00 31.50 ? 97 PRO B CG 1 ATOM 2270 C CD . PRO B 2 127 ? 25.379 -32.037 42.981 1.00 26.85 ? 97 PRO B CD 1 ATOM 2271 N N . THR B 2 128 ? 24.023 -27.993 44.844 1.00 26.73 ? 98 THR B N 1 ATOM 2272 C CA . THR B 2 128 ? 24.259 -27.164 46.017 1.00 27.37 ? 98 THR B CA 1 ATOM 2273 C C . THR B 2 128 ? 23.212 -27.644 47.020 1.00 31.29 ? 98 THR B C 1 ATOM 2274 O O . THR B 2 128 ? 22.014 -27.531 46.746 1.00 31.04 ? 98 THR B O 1 ATOM 2275 C CB . THR B 2 128 ? 24.201 -25.665 45.665 1.00 37.22 ? 98 THR B CB 1 ATOM 2276 O OG1 . THR B 2 128 ? 24.991 -25.411 44.497 1.00 37.68 ? 98 THR B OG1 1 ATOM 2277 C CG2 . THR B 2 128 ? 24.667 -24.780 46.816 1.00 36.56 ? 98 THR B CG2 1 ATOM 2278 N N . VAL B 2 129 ? 23.654 -28.259 48.133 1.00 27.67 ? 99 VAL B N 1 ATOM 2279 C CA . VAL B 2 129 ? 22.742 -28.830 49.128 1.00 27.19 ? 99 VAL B CA 1 ATOM 2280 C C . VAL B 2 129 ? 22.729 -27.960 50.392 1.00 31.93 ? 99 VAL B C 1 ATOM 2281 O O . VAL B 2 129 ? 23.783 -27.680 50.957 1.00 31.84 ? 99 VAL B O 1 ATOM 2282 C CB . VAL B 2 129 ? 23.108 -30.311 49.438 1.00 30.06 ? 99 VAL B CB 1 ATOM 2283 C CG1 . VAL B 2 129 ? 22.095 -30.945 50.385 1.00 30.22 ? 99 VAL B CG1 1 ATOM 2284 C CG2 . VAL B 2 129 ? 23.229 -31.129 48.151 1.00 28.69 ? 99 VAL B CG2 1 ATOM 2285 N N . THR B 2 130 ? 21.537 -27.509 50.806 1.00 29.38 ? 100 THR B N 1 ATOM 2286 C CA . THR B 2 130 ? 21.354 -26.687 52.014 1.00 30.79 ? 100 THR B CA 1 ATOM 2287 C C . THR B 2 130 ? 20.144 -27.168 52.824 1.00 36.81 ? 100 THR B C 1 ATOM 2288 O O . THR B 2 130 ? 19.212 -27.752 52.259 1.00 35.80 ? 100 THR B O 1 ATOM 2289 C CB . THR B 2 130 ? 21.184 -25.190 51.670 1.00 38.15 ? 100 THR B CB 1 ATOM 2290 O OG1 . THR B 2 130 ? 20.092 -25.039 50.774 1.00 37.60 ? 100 THR B OG1 1 ATOM 2291 C CG2 . THR B 2 130 ? 22.443 -24.547 51.092 1.00 36.31 ? 100 THR B CG2 1 ATOM 2292 N N . ILE B 2 131 ? 20.145 -26.899 54.143 1.00 35.30 ? 101 ILE B N 1 ATOM 2293 C CA . ILE B 2 131 ? 19.025 -27.261 55.011 1.00 36.44 ? 101 ILE B CA 1 ATOM 2294 C C . ILE B 2 131 ? 18.451 -25.981 55.624 1.00 41.90 ? 101 ILE B C 1 ATOM 2295 O O . ILE B 2 131 ? 19.204 -25.169 56.168 1.00 41.81 ? 101 ILE B O 1 ATOM 2296 C CB . ILE B 2 131 ? 19.396 -28.322 56.096 1.00 40.44 ? 101 ILE B CB 1 ATOM 2297 C CG1 . ILE B 2 131 ? 20.041 -29.587 55.473 1.00 39.92 ? 101 ILE B CG1 1 ATOM 2298 C CG2 . ILE B 2 131 ? 18.163 -28.696 56.949 1.00 42.33 ? 101 ILE B CG2 1 ATOM 2299 C CD1 . ILE B 2 131 ? 20.629 -30.584 56.476 1.00 45.81 ? 101 ILE B CD1 1 ATOM 2300 N N . SER B 2 132 ? 17.115 -25.809 55.520 1.00 39.47 ? 102 SER B N 1 ATOM 2301 C CA . SER B 2 132 ? 16.372 -24.682 56.090 1.00 40.27 ? 102 SER B CA 1 ATOM 2302 C C . SER B 2 132 ? 15.212 -25.202 56.959 1.00 45.85 ? 102 SER B C 1 ATOM 2303 O O . SER B 2 132 ? 14.493 -26.104 56.513 1.00 44.91 ? 102 SER B O 1 ATOM 2304 C CB . SER B 2 132 ? 15.854 -23.756 54.995 1.00 42.53 ? 102 SER B CB 1 ATOM 2305 N N . PRO B 2 133 ? 15.021 -24.680 58.203 1.00 43.99 ? 103 PRO B N 1 ATOM 2306 C CA . PRO B 2 133 ? 13.924 -25.179 59.048 1.00 47.31 ? 103 PRO B CA 1 ATOM 2307 C C . PRO B 2 133 ? 12.635 -24.376 58.865 1.00 75.69 ? 103 PRO B C 1 ATOM 2308 O O . PRO B 2 133 ? 11.824 -24.692 57.997 1.00 40.06 ? 103 PRO B O 1 ATOM 2309 C CB . PRO B 2 133 ? 14.481 -25.031 60.467 1.00 49.96 ? 103 PRO B CB 1 ATOM 2310 C CG . PRO B 2 133 ? 15.557 -23.967 60.368 1.00 53.54 ? 103 PRO B CG 1 ATOM 2311 C CD . PRO B 2 133 ? 15.790 -23.635 58.909 1.00 47.10 ? 103 PRO B CD 1 ATOM 2312 N N . LEU B 2 144 ? 8.898 -29.579 58.049 1.00 53.68 ? 114 LEU B N 1 ATOM 2313 C CA . LEU B 2 144 ? 9.645 -28.896 59.111 1.00 54.15 ? 114 LEU B CA 1 ATOM 2314 C C . LEU B 2 144 ? 11.099 -28.647 58.693 1.00 55.38 ? 114 LEU B C 1 ATOM 2315 O O . LEU B 2 144 ? 11.567 -27.516 58.813 1.00 54.88 ? 114 LEU B O 1 ATOM 2316 C CB . LEU B 2 144 ? 9.599 -29.674 60.441 1.00 55.73 ? 114 LEU B CB 1 ATOM 2317 C CG . LEU B 2 144 ? 8.312 -29.573 61.233 1.00 62.20 ? 114 LEU B CG 1 ATOM 2318 C CD1 . LEU B 2 144 ? 7.548 -30.869 61.173 1.00 63.01 ? 114 LEU B CD1 1 ATOM 2319 C CD2 . LEU B 2 144 ? 8.589 -29.192 62.681 1.00 65.90 ? 114 LEU B CD2 1 ATOM 2320 N N . LEU B 2 145 ? 11.811 -29.692 58.215 1.00 49.90 ? 115 LEU B N 1 ATOM 2321 C CA . LEU B 2 145 ? 13.196 -29.566 57.743 1.00 47.89 ? 115 LEU B CA 1 ATOM 2322 C C . LEU B 2 145 ? 13.268 -29.811 56.237 1.00 47.92 ? 115 LEU B C 1 ATOM 2323 O O . LEU B 2 145 ? 13.090 -30.947 55.799 1.00 46.79 ? 115 LEU B O 1 ATOM 2324 C CB . LEU B 2 145 ? 14.146 -30.528 58.485 1.00 48.17 ? 115 LEU B CB 1 ATOM 2325 C CG . LEU B 2 145 ? 14.864 -30.021 59.735 1.00 53.60 ? 115 LEU B CG 1 ATOM 2326 C CD1 . LEU B 2 145 ? 15.986 -30.957 60.095 1.00 53.67 ? 115 LEU B CD1 1 ATOM 2327 C CD2 . LEU B 2 145 ? 15.448 -28.629 59.538 1.00 55.41 ? 115 LEU B CD2 1 ATOM 2328 N N . VAL B 2 146 ? 13.515 -28.754 55.444 1.00 42.89 ? 116 VAL B N 1 ATOM 2329 C CA . VAL B 2 146 ? 13.566 -28.892 53.986 1.00 41.03 ? 116 VAL B CA 1 ATOM 2330 C C . VAL B 2 146 ? 15.026 -28.894 53.460 1.00 42.96 ? 116 VAL B C 1 ATOM 2331 O O . VAL B 2 146 ? 15.800 -27.954 53.668 1.00 42.09 ? 116 VAL B O 1 ATOM 2332 C CB . VAL B 2 146 ? 12.663 -27.867 53.225 1.00 44.62 ? 116 VAL B CB 1 ATOM 2333 C CG1 . VAL B 2 146 ? 12.984 -26.411 53.574 1.00 44.83 ? 116 VAL B CG1 1 ATOM 2334 C CG2 . VAL B 2 146 ? 12.697 -28.098 51.717 1.00 42.92 ? 116 VAL B CG2 1 ATOM 2335 N N . CYS B 2 147 ? 15.367 -29.987 52.775 1.00 39.10 ? 117 CYS B N 1 ATOM 2336 C CA . CYS B 2 147 ? 16.646 -30.169 52.114 1.00 38.52 ? 117 CYS B CA 1 ATOM 2337 C C . CYS B 2 147 ? 16.474 -29.773 50.658 1.00 39.08 ? 117 CYS B C 1 ATOM 2338 O O . CYS B 2 147 ? 15.871 -30.521 49.879 1.00 38.19 ? 117 CYS B O 1 ATOM 2339 C CB . CYS B 2 147 ? 17.143 -31.605 52.256 1.00 39.87 ? 117 CYS B CB 1 ATOM 2340 S SG . CYS B 2 147 ? 18.743 -31.912 51.464 1.00 43.43 ? 117 CYS B SG 1 ATOM 2341 N N . SER B 2 148 ? 16.967 -28.577 50.302 1.00 33.79 ? 118 SER B N 1 ATOM 2342 C CA . SER B 2 148 ? 16.879 -28.071 48.936 1.00 32.10 ? 118 SER B CA 1 ATOM 2343 C C . SER B 2 148 ? 18.198 -28.344 48.170 1.00 33.71 ? 118 SER B C 1 ATOM 2344 O O . SER B 2 148 ? 19.280 -27.891 48.564 1.00 32.90 ? 118 SER B O 1 ATOM 2345 C CB . SER B 2 148 ? 16.487 -26.596 48.914 1.00 35.69 ? 118 SER B CB 1 ATOM 2346 O OG . SER B 2 148 ? 17.364 -25.784 49.669 1.00 48.43 ? 118 SER B OG 1 ATOM 2347 N N . VAL B 2 149 ? 18.084 -29.153 47.128 1.00 28.32 ? 119 VAL B N 1 ATOM 2348 C CA . VAL B 2 149 ? 19.151 -29.542 46.238 1.00 26.54 ? 119 VAL B CA 1 ATOM 2349 C C . VAL B 2 149 ? 19.033 -28.738 44.932 1.00 30.81 ? 119 VAL B C 1 ATOM 2350 O O . VAL B 2 149 ? 18.172 -28.979 44.132 1.00 29.72 ? 119 VAL B O 1 ATOM 2351 C CB . VAL B 2 149 ? 19.032 -31.035 45.917 1.00 28.97 ? 119 VAL B CB 1 ATOM 2352 C CG1 . VAL B 2 149 ? 20.222 -31.548 45.171 1.00 27.62 ? 119 VAL B CG1 1 ATOM 2353 C CG2 . VAL B 2 149 ? 18.741 -31.847 47.144 1.00 29.47 ? 119 VAL B CG2 1 ATOM 2354 N N . THR B 2 150 ? 19.906 -27.785 44.741 1.00 27.87 ? 120 THR B N 1 ATOM 2355 C CA . THR B 2 150 ? 19.725 -26.810 43.709 1.00 26.89 ? 120 THR B CA 1 ATOM 2356 C C . THR B 2 150 ? 20.792 -26.799 42.622 1.00 30.13 ? 120 THR B C 1 ATOM 2357 O O . THR B 2 150 ? 21.945 -27.058 42.881 1.00 29.54 ? 120 THR B O 1 ATOM 2358 C CB . THR B 2 150 ? 19.535 -25.414 44.311 1.00 33.12 ? 120 THR B CB 1 ATOM 2359 O OG1 . THR B 2 150 ? 20.685 -25.034 45.035 1.00 33.61 ? 120 THR B OG1 1 ATOM 2360 C CG2 . THR B 2 150 ? 18.407 -25.423 45.232 1.00 31.11 ? 120 THR B CG2 1 ATOM 2361 N N . ASP B 2 151 ? 20.350 -26.485 41.414 1.00 26.47 ? 121 ASP B N 1 ATOM 2362 C CA . ASP B 2 151 ? 21.194 -26.315 40.247 1.00 26.18 ? 121 ASP B CA 1 ATOM 2363 C C . ASP B 2 151 ? 22.098 -27.490 39.899 1.00 28.82 ? 121 ASP B C 1 ATOM 2364 O O . ASP B 2 151 ? 23.274 -27.421 40.099 1.00 28.84 ? 121 ASP B O 1 ATOM 2365 C CB . ASP B 2 151 ? 22.009 -25.051 40.383 1.00 28.98 ? 121 ASP B CB 1 ATOM 2366 C CG . ASP B 2 151 ? 21.171 -23.816 40.547 1.00 42.68 ? 121 ASP B CG 1 ATOM 2367 O OD1 . ASP B 2 151 ? 20.096 -23.720 39.999 1.00 42.76 ? 121 ASP B OD1 1 ATOM 2368 O OD2 . ASP B 2 151 ? 21.608 -22.908 41.233 1.00 51.52 -1 121 ASP B OD2 1 ATOM 2369 N N . PHE B 2 152 ? 21.532 -28.607 39.495 1.00 23.66 ? 122 PHE B N 1 ATOM 2370 C CA . PHE B 2 152 ? 22.326 -29.743 39.093 1.00 22.72 ? 122 PHE B CA 1 ATOM 2371 C C . PHE B 2 152 ? 22.017 -30.241 37.674 1.00 25.58 ? 122 PHE B C 1 ATOM 2372 O O . PHE B 2 152 ? 20.949 -30.016 37.190 1.00 25.10 ? 122 PHE B O 1 ATOM 2373 C CB . PHE B 2 152 ? 22.238 -30.860 40.127 1.00 24.63 ? 122 PHE B CB 1 ATOM 2374 C CG . PHE B 2 152 ? 20.851 -31.324 40.431 1.00 25.91 ? 122 PHE B CG 1 ATOM 2375 C CD1 . PHE B 2 152 ? 20.284 -32.366 39.737 1.00 28.20 ? 122 PHE B CD1 1 ATOM 2376 C CD2 . PHE B 2 152 ? 20.125 -30.753 41.443 1.00 28.20 ? 122 PHE B CD2 1 ATOM 2377 C CE1 . PHE B 2 152 ? 19.027 -32.810 40.021 1.00 29.11 ? 122 PHE B CE1 1 ATOM 2378 C CE2 . PHE B 2 152 ? 18.859 -31.205 41.732 1.00 30.87 ? 122 PHE B CE2 1 ATOM 2379 C CZ . PHE B 2 152 ? 18.309 -32.230 41.026 1.00 28.43 ? 122 PHE B CZ 1 ATOM 2380 N N . TYR B 2 153 ? 22.971 -30.911 37.036 1.00 21.42 ? 123 TYR B N 1 ATOM 2381 C CA . TYR B 2 153 ? 22.804 -31.511 35.715 1.00 20.01 ? 123 TYR B CA 1 ATOM 2382 C C . TYR B 2 153 ? 23.788 -32.690 35.564 1.00 24.04 ? 123 TYR B C 1 ATOM 2383 O O . TYR B 2 153 ? 24.955 -32.519 35.925 1.00 23.61 ? 123 TYR B O 1 ATOM 2384 C CB . TYR B 2 153 ? 22.985 -30.486 34.577 1.00 20.23 ? 123 TYR B CB 1 ATOM 2385 C CG . TYR B 2 153 ? 22.455 -30.992 33.253 1.00 20.84 ? 123 TYR B CG 1 ATOM 2386 C CD1 . TYR B 2 153 ? 23.243 -31.783 32.419 1.00 22.08 ? 123 TYR B CD1 1 ATOM 2387 C CD2 . TYR B 2 153 ? 21.142 -30.740 32.863 1.00 21.43 ? 123 TYR B CD2 1 ATOM 2388 C CE1 . TYR B 2 153 ? 22.746 -32.295 31.224 1.00 21.70 ? 123 TYR B CE1 1 ATOM 2389 C CE2 . TYR B 2 153 ? 20.634 -31.245 31.666 1.00 21.81 ? 123 TYR B CE2 1 ATOM 2390 C CZ . TYR B 2 153 ? 21.441 -32.022 30.850 1.00 26.63 ? 123 TYR B CZ 1 ATOM 2391 O OH . TYR B 2 153 ? 20.946 -32.529 29.676 1.00 25.08 ? 123 TYR B OH 1 ATOM 2392 N N . PRO B 2 154 ? 23.368 -33.895 35.086 1.00 20.31 ? 124 PRO B N 1 ATOM 2393 C CA . PRO B 2 154 ? 22.030 -34.279 34.569 1.00 20.37 ? 124 PRO B CA 1 ATOM 2394 C C . PRO B 2 154 ? 20.955 -34.503 35.660 1.00 25.11 ? 124 PRO B C 1 ATOM 2395 O O . PRO B 2 154 ? 21.200 -34.238 36.833 1.00 24.28 ? 124 PRO B O 1 ATOM 2396 C CB . PRO B 2 154 ? 22.331 -35.536 33.744 1.00 21.94 ? 124 PRO B CB 1 ATOM 2397 C CG . PRO B 2 154 ? 23.527 -36.148 34.410 1.00 26.32 ? 124 PRO B CG 1 ATOM 2398 C CD . PRO B 2 154 ? 24.345 -34.991 34.923 1.00 21.79 ? 124 PRO B CD 1 ATOM 2399 N N . ALA B 2 155 ? 19.742 -34.942 35.239 1.00 22.40 ? 125 ALA B N 1 ATOM 2400 C CA . ALA B 2 155 ? 18.527 -35.137 36.047 1.00 22.62 ? 125 ALA B CA 1 ATOM 2401 C C . ALA B 2 155 ? 18.635 -36.153 37.186 1.00 28.51 ? 125 ALA B C 1 ATOM 2402 O O . ALA B 2 155 ? 17.995 -35.942 38.217 1.00 28.94 ? 125 ALA B O 1 ATOM 2403 C CB . ALA B 2 155 ? 17.369 -35.536 35.148 1.00 23.09 ? 125 ALA B CB 1 ATOM 2404 N N . GLN B 2 156 ? 19.356 -37.236 37.013 1.00 26.16 ? 126 GLN B N 1 ATOM 2405 C CA . GLN B 2 156 ? 19.485 -38.271 38.018 1.00 26.75 ? 126 GLN B CA 1 ATOM 2406 C C . GLN B 2 156 ? 19.888 -37.778 39.378 1.00 30.56 ? 126 GLN B C 1 ATOM 2407 O O . GLN B 2 156 ? 20.910 -37.203 39.528 1.00 29.95 ? 126 GLN B O 1 ATOM 2408 C CB . GLN B 2 156 ? 20.425 -39.313 37.495 1.00 28.52 ? 126 GLN B CB 1 ATOM 2409 C CG . GLN B 2 156 ? 20.097 -39.676 36.055 1.00 52.21 ? 126 GLN B CG 1 ATOM 2410 C CD . GLN B 2 156 ? 21.014 -39.058 34.988 1.00 72.98 ? 126 GLN B CD 1 ATOM 2411 O OE1 . GLN B 2 156 ? 20.637 -38.144 34.277 1.00 63.34 ? 126 GLN B OE1 1 ATOM 2412 N NE2 . GLN B 2 156 ? 22.202 -39.610 34.856 1.00 65.94 ? 126 GLN B NE2 1 ATOM 2413 N N . ILE B 2 157 ? 19.043 -38.002 40.367 1.00 27.87 ? 127 ILE B N 1 ATOM 2414 C CA . ILE B 2 157 ? 19.260 -37.538 41.738 1.00 28.19 ? 127 ILE B CA 1 ATOM 2415 C C . ILE B 2 157 ? 18.654 -38.537 42.740 1.00 33.23 ? 127 ILE B C 1 ATOM 2416 O O . ILE B 2 157 ? 17.641 -39.186 42.452 1.00 32.65 ? 127 ILE B O 1 ATOM 2417 C CB . ILE B 2 157 ? 18.713 -36.073 41.943 1.00 30.74 ? 127 ILE B CB 1 ATOM 2418 C CG1 . ILE B 2 157 ? 19.331 -35.371 43.182 1.00 31.43 ? 127 ILE B CG1 1 ATOM 2419 C CG2 . ILE B 2 157 ? 17.182 -35.978 41.966 1.00 31.13 ? 127 ILE B CG2 1 ATOM 2420 C CD1 . ILE B 2 157 ? 20.661 -34.704 42.944 1.00 37.84 ? 127 ILE B CD1 1 ATOM 2421 N N . LYS B 2 158 ? 19.301 -38.656 43.907 1.00 30.97 ? 128 LYS B N 1 ATOM 2422 C CA . LYS B 2 158 ? 18.870 -39.488 45.028 1.00 32.04 ? 128 LYS B CA 1 ATOM 2423 C C . LYS B 2 158 ? 19.140 -38.732 46.309 1.00 35.96 ? 128 LYS B C 1 ATOM 2424 O O . LYS B 2 158 ? 20.286 -38.378 46.587 1.00 35.39 ? 128 LYS B O 1 ATOM 2425 C CB . LYS B 2 158 ? 19.569 -40.860 45.032 1.00 35.02 ? 128 LYS B CB 1 ATOM 2426 N N . VAL B 2 159 ? 18.071 -38.429 47.054 1.00 33.32 ? 129 VAL B N 1 ATOM 2427 C CA . VAL B 2 159 ? 18.134 -37.701 48.320 1.00 33.82 ? 129 VAL B CA 1 ATOM 2428 C C . VAL B 2 159 ? 17.627 -38.624 49.421 1.00 39.83 ? 129 VAL B C 1 ATOM 2429 O O . VAL B 2 159 ? 16.585 -39.256 49.251 1.00 40.00 ? 129 VAL B O 1 ATOM 2430 C CB . VAL B 2 159 ? 17.348 -36.359 48.271 1.00 37.21 ? 129 VAL B CB 1 ATOM 2431 C CG1 . VAL B 2 159 ? 17.524 -35.565 49.561 1.00 37.73 ? 129 VAL B CG1 1 ATOM 2432 C CG2 . VAL B 2 159 ? 17.758 -35.511 47.070 1.00 35.73 ? 129 VAL B CG2 1 ATOM 2433 N N . ARG B 2 160 ? 18.370 -38.711 50.539 1.00 37.76 ? 130 ARG B N 1 ATOM 2434 C CA . ARG B 2 160 ? 18.016 -39.538 51.697 1.00 38.88 ? 130 ARG B CA 1 ATOM 2435 C C . ARG B 2 160 ? 18.118 -38.721 52.994 1.00 44.40 ? 130 ARG B C 1 ATOM 2436 O O . ARG B 2 160 ? 19.055 -37.935 53.160 1.00 43.28 ? 130 ARG B O 1 ATOM 2437 C CB . ARG B 2 160 ? 18.900 -40.800 51.762 1.00 38.54 ? 130 ARG B CB 1 ATOM 2438 C CG . ARG B 2 160 ? 18.482 -41.885 50.755 1.00 47.01 ? 130 ARG B CG 1 ATOM 2439 C CD . ARG B 2 160 ? 19.563 -42.919 50.473 1.00 56.69 ? 130 ARG B CD 1 ATOM 2440 N NE . ARG B 2 160 ? 19.636 -43.963 51.497 1.00 69.44 ? 130 ARG B NE 1 ATOM 2441 C CZ . ARG B 2 160 ? 20.701 -44.198 52.258 1.00 85.48 ? 130 ARG B CZ 1 ATOM 2442 N NH1 . ARG B 2 160 ? 21.802 -43.469 52.117 1.00 70.84 ? 130 ARG B NH1 1 ATOM 2443 N NH2 . ARG B 2 160 ? 20.675 -45.168 53.163 1.00 74.45 ? 130 ARG B NH2 1 ATOM 2444 N N . TRP B 2 161 ? 17.134 -38.884 53.896 1.00 43.52 ? 131 TRP B N 1 ATOM 2445 C CA . TRP B 2 161 ? 17.100 -38.178 55.180 1.00 44.60 ? 131 TRP B CA 1 ATOM 2446 C C . TRP B 2 161 ? 17.524 -39.085 56.329 1.00 50.18 ? 131 TRP B C 1 ATOM 2447 O O . TRP B 2 161 ? 17.127 -40.249 56.371 1.00 49.79 ? 131 TRP B O 1 ATOM 2448 C CB . TRP B 2 161 ? 15.709 -37.593 55.467 1.00 43.89 ? 131 TRP B CB 1 ATOM 2449 C CG . TRP B 2 161 ? 15.586 -36.125 55.174 1.00 44.09 ? 131 TRP B CG 1 ATOM 2450 C CD1 . TRP B 2 161 ? 14.747 -35.540 54.276 1.00 46.29 ? 131 TRP B CD1 1 ATOM 2451 C CD2 . TRP B 2 161 ? 16.324 -35.058 55.791 1.00 43.97 ? 131 TRP B CD2 1 ATOM 2452 N NE1 . TRP B 2 161 ? 14.908 -34.174 54.298 1.00 45.40 ? 131 TRP B NE1 1 ATOM 2453 C CE2 . TRP B 2 161 ? 15.874 -33.851 55.214 1.00 47.21 ? 131 TRP B CE2 1 ATOM 2454 C CE3 . TRP B 2 161 ? 17.316 -35.003 56.788 1.00 45.81 ? 131 TRP B CE3 1 ATOM 2455 C CZ2 . TRP B 2 161 ? 16.374 -32.602 55.605 1.00 46.62 ? 131 TRP B CZ2 1 ATOM 2456 C CZ3 . TRP B 2 161 ? 17.822 -33.767 57.163 1.00 47.25 ? 131 TRP B CZ3 1 ATOM 2457 C CH2 . TRP B 2 161 ? 17.357 -32.585 56.569 1.00 47.34 ? 131 TRP B CH2 1 ATOM 2458 N N . PHE B 2 162 ? 18.327 -38.554 57.239 1.00 48.71 ? 132 PHE B N 1 ATOM 2459 C CA . PHE B 2 162 ? 18.810 -39.291 58.414 1.00 50.45 ? 132 PHE B CA 1 ATOM 2460 C C . PHE B 2 162 ? 18.630 -38.517 59.728 1.00 55.95 ? 132 PHE B C 1 ATOM 2461 O O . PHE B 2 162 ? 18.991 -37.362 59.797 1.00 54.77 ? 132 PHE B O 1 ATOM 2462 C CB . PHE B 2 162 ? 20.298 -39.624 58.265 1.00 52.18 ? 132 PHE B CB 1 ATOM 2463 C CG . PHE B 2 162 ? 20.598 -40.802 57.374 1.00 53.69 ? 132 PHE B CG 1 ATOM 2464 C CD1 . PHE B 2 162 ? 20.795 -40.629 56.007 1.00 55.60 ? 132 PHE B CD1 1 ATOM 2465 C CD2 . PHE B 2 162 ? 20.735 -42.067 57.904 1.00 57.03 ? 132 PHE B CD2 1 ATOM 2466 C CE1 . PHE B 2 162 ? 21.091 -41.697 55.195 1.00 56.24 ? 132 PHE B CE1 1 ATOM 2467 C CE2 . PHE B 2 162 ? 21.022 -43.145 57.098 1.00 59.59 ? 132 PHE B CE2 1 ATOM 2468 C CZ . PHE B 2 162 ? 21.200 -42.963 55.739 1.00 56.40 ? 132 PHE B CZ 1 ATOM 2469 N N . ARG B 2 163 ? 18.104 -39.171 60.763 1.00 55.19 ? 133 ARG B N 1 ATOM 2470 C CA . ARG B 2 163 ? 18.144 -38.677 62.148 1.00 56.67 ? 133 ARG B CA 1 ATOM 2471 C C . ARG B 2 163 ? 19.177 -39.472 62.902 1.00 62.89 ? 133 ARG B C 1 ATOM 2472 O O . ARG B 2 163 ? 19.032 -40.649 63.088 1.00 62.90 ? 133 ARG B O 1 ATOM 2473 C CB . ARG B 2 163 ? 16.807 -38.836 62.847 1.00 57.94 ? 133 ARG B CB 1 ATOM 2474 C CG . ARG B 2 163 ? 16.724 -38.191 64.228 1.00 68.16 ? 133 ARG B CG 1 ATOM 2475 C CD . ARG B 2 163 ? 15.377 -37.539 64.501 1.00 76.52 ? 133 ARG B CD 1 ATOM 2476 N NE . ARG B 2 163 ? 14.279 -38.483 64.672 1.00 86.21 ? 133 ARG B NE 1 ATOM 2477 C CZ . ARG B 2 163 ? 13.769 -38.858 65.851 1.00 101.21 ? 133 ARG B CZ 1 ATOM 2478 N NH1 . ARG B 2 163 ? 14.250 -38.375 66.985 1.00 86.84 ? 133 ARG B NH1 1 ATOM 2479 N NH2 . ARG B 2 163 ? 12.765 -39.710 65.901 1.00 88.93 ? 133 ARG B NH2 1 ATOM 2480 N N . ASN B 2 164 ? 20.255 -38.830 63.279 1.00 61.20 ? 134 ASN B N 1 ATOM 2481 C CA . ASN B 2 164 ? 21.357 -39.534 63.889 1.00 62.48 ? 134 ASN B CA 1 ATOM 2482 C C . ASN B 2 164 ? 21.837 -40.676 62.996 1.00 68.13 ? 134 ASN B C 1 ATOM 2483 O O . ASN B 2 164 ? 22.050 -40.501 61.823 1.00 65.62 ? 134 ASN B O 1 ATOM 2484 C CB . ASN B 2 164 ? 20.985 -40.010 65.297 1.00 63.62 ? 134 ASN B CB 1 ATOM 2485 C CG . ASN B 2 164 ? 20.443 -38.905 66.141 1.00 82.40 ? 134 ASN B CG 1 ATOM 2486 O OD1 . ASN B 2 164 ? 19.257 -38.824 66.371 1.00 78.34 ? 134 ASN B OD1 1 ATOM 2487 N ND2 . ASN B 2 164 ? 21.309 -38.022 66.578 1.00 72.17 ? 134 ASN B ND2 1 ATOM 2488 N N . ASP B 2 165 ? 22.014 -41.850 63.570 1.00 68.21 ? 135 ASP B N 1 ATOM 2489 C CA . ASP B 2 165 ? 22.444 -43.010 62.836 1.00 68.66 ? 135 ASP B CA 1 ATOM 2490 C C . ASP B 2 165 ? 21.388 -43.381 61.810 1.00 72.22 ? 135 ASP B C 1 ATOM 2491 O O . ASP B 2 165 ? 21.699 -43.884 60.766 1.00 70.85 ? 135 ASP B O 1 ATOM 2492 C CB . ASP B 2 165 ? 22.702 -44.178 63.802 1.00 72.61 ? 135 ASP B CB 1 ATOM 2493 C CG . ASP B 2 165 ? 24.201 -44.558 63.926 1.00 85.18 ? 135 ASP B CG 1 ATOM 2494 O OD1 . ASP B 2 165 ? 24.785 -45.019 62.937 1.00 85.34 ? 135 ASP B OD1 1 ATOM 2495 O OD2 . ASP B 2 165 ? 24.790 -44.432 65.020 1.00 91.31 ? 135 ASP B OD2 1 ATOM 2496 N N . GLN B 2 166 ? 20.129 -43.223 62.166 1.00 69.55 ? 136 GLN B N 1 ATOM 2497 C CA . GLN B 2 166 ? 19.049 -43.860 61.441 1.00 69.27 ? 136 GLN B CA 1 ATOM 2498 C C . GLN B 2 166 ? 18.530 -43.168 60.229 1.00 71.43 ? 136 GLN B C 1 ATOM 2499 O O . GLN B 2 166 ? 18.569 -41.971 60.159 1.00 70.33 ? 136 GLN B O 1 ATOM 2500 C CB . GLN B 2 166 ? 17.880 -44.154 62.363 1.00 72.20 ? 136 GLN B CB 1 ATOM 2501 C CG . GLN B 2 166 ? 17.597 -45.637 62.497 1.00 88.14 ? 136 GLN B CG 1 ATOM 2502 C CD . GLN B 2 166 ? 16.126 -45.953 62.559 1.00 107.29 ? 136 GLN B CD 1 ATOM 2503 O OE1 . GLN B 2 166 ? 15.634 -46.447 63.560 1.00 104.69 ? 136 GLN B OE1 1 ATOM 2504 N NE2 . GLN B 2 166 ? 15.414 -45.665 61.488 1.00 96.66 ? 136 GLN B NE2 1 ATOM 2505 N N . GLU B 2 167 ? 17.979 -43.941 59.301 1.00 67.71 ? 137 GLU B N 1 ATOM 2506 C CA . GLU B 2 167 ? 17.382 -43.337 58.113 1.00 66.25 ? 137 GLU B CA 1 ATOM 2507 C C . GLU B 2 167 ? 15.893 -43.080 58.365 1.00 71.05 ? 137 GLU B C 1 ATOM 2508 O O . GLU B 2 167 ? 15.281 -43.768 59.187 1.00 72.22 ? 137 GLU B O 1 ATOM 2509 C CB . GLU B 2 167 ? 17.581 -44.254 56.893 1.00 66.91 ? 137 GLU B CB 1 ATOM 2510 C CG . GLU B 2 167 ? 17.620 -43.516 55.566 1.00 77.20 ? 137 GLU B CG 1 ATOM 2511 C CD . GLU B 2 167 ? 16.974 -44.247 54.406 1.00 98.80 ? 137 GLU B CD 1 ATOM 2512 O OE1 . GLU B 2 167 ? 15.756 -44.051 54.187 1.00 92.88 ? 137 GLU B OE1 1 ATOM 2513 O OE2 . GLU B 2 167 ? 17.687 -44.999 53.702 1.00 92.84 ? 137 GLU B OE2 1 ATOM 2514 N N . GLU B 2 168 ? 15.315 -42.111 57.692 1.00 66.83 ? 138 GLU B N 1 ATOM 2515 C CA . GLU B 2 168 ? 13.972 -41.698 57.969 1.00 67.46 ? 138 GLU B CA 1 ATOM 2516 C C . GLU B 2 168 ? 13.138 -42.005 56.772 1.00 71.76 ? 138 GLU B C 1 ATOM 2517 O O . GLU B 2 168 ? 13.319 -41.382 55.753 1.00 70.14 ? 138 GLU B O 1 ATOM 2518 C CB . GLU B 2 168 ? 13.940 -40.190 58.160 1.00 68.22 ? 138 GLU B CB 1 ATOM 2519 C CG . GLU B 2 168 ? 13.784 -39.718 59.592 1.00 79.38 ? 138 GLU B CG 1 ATOM 2520 C CD . GLU B 2 168 ? 12.547 -40.271 60.256 1.00 95.41 ? 138 GLU B CD 1 ATOM 2521 O OE1 . GLU B 2 168 ? 11.584 -39.521 60.414 1.00 89.35 ? 138 GLU B OE1 1 ATOM 2522 O OE2 . GLU B 2 168 ? 12.546 -41.452 60.609 1.00 84.46 ? 138 GLU B OE2 1 ATOM 2523 N N . THR B 2 169 ? 12.236 -42.962 56.869 1.00 69.96 ? 139 THR B N 1 ATOM 2524 C CA . THR B 2 169 ? 11.289 -43.161 55.795 1.00 69.44 ? 139 THR B CA 1 ATOM 2525 C C . THR B 2 169 ? 9.920 -42.534 56.011 1.00 73.25 ? 139 THR B C 1 ATOM 2526 O O . THR B 2 169 ? 9.237 -42.233 55.060 1.00 72.26 ? 139 THR B O 1 ATOM 2527 C CB . THR B 2 169 ? 11.145 -44.641 55.385 1.00 79.51 ? 139 THR B CB 1 ATOM 2528 O OG1 . THR B 2 169 ? 10.781 -45.449 56.509 1.00 80.23 ? 139 THR B OG1 1 ATOM 2529 C CG2 . THR B 2 169 ? 12.437 -45.152 54.782 1.00 77.37 ? 139 THR B CG2 1 ATOM 2530 N N . THR B 2 170 ? 9.490 -42.401 57.250 1.00 70.27 ? 140 THR B N 1 ATOM 2531 C CA . THR B 2 170 ? 8.118 -41.971 57.508 1.00 70.45 ? 140 THR B CA 1 ATOM 2532 C C . THR B 2 170 ? 7.700 -40.551 57.165 1.00 72.08 ? 140 THR B C 1 ATOM 2533 O O . THR B 2 170 ? 6.704 -40.360 56.521 1.00 71.75 ? 140 THR B O 1 ATOM 2534 C CB . THR B 2 170 ? 7.703 -42.242 58.977 1.00 79.01 ? 140 THR B CB 1 ATOM 2535 N N . GLY B 2 171 ? 8.493 -39.570 57.548 1.00 66.56 ? 141 GLY B N 1 ATOM 2536 C CA . GLY B 2 171 ? 8.039 -38.195 57.617 1.00 65.48 ? 141 GLY B CA 1 ATOM 2537 C C . GLY B 2 171 ? 8.454 -37.355 56.444 1.00 65.77 ? 141 GLY B C 1 ATOM 2538 O O . GLY B 2 171 ? 8.402 -36.149 56.497 1.00 64.30 ? 141 GLY B O 1 ATOM 2539 N N . VAL B 2 172 ? 8.907 -38.051 55.411 1.00 61.00 ? 142 VAL B N 1 ATOM 2540 C CA . VAL B 2 172 ? 9.554 -37.511 54.215 1.00 58.88 ? 142 VAL B CA 1 ATOM 2541 C C . VAL B 2 172 ? 8.636 -37.276 53.040 1.00 61.05 ? 142 VAL B C 1 ATOM 2542 O O . VAL B 2 172 ? 8.090 -38.187 52.464 1.00 60.73 ? 142 VAL B O 1 ATOM 2543 C CB . VAL B 2 172 ? 10.628 -38.462 53.718 1.00 62.15 ? 142 VAL B CB 1 ATOM 2544 C CG1 . VAL B 2 172 ? 11.894 -38.281 54.507 1.00 61.91 ? 142 VAL B CG1 1 ATOM 2545 C CG2 . VAL B 2 172 ? 10.135 -39.889 53.818 1.00 63.04 ? 142 VAL B CG2 1 ATOM 2546 N N . VAL B 2 173 ? 8.520 -36.019 52.685 1.00 55.81 ? 143 VAL B N 1 ATOM 2547 C CA . VAL B 2 173 ? 7.701 -35.562 51.565 1.00 54.36 ? 143 VAL B CA 1 ATOM 2548 C C . VAL B 2 173 ? 8.588 -34.763 50.614 1.00 55.92 ? 143 VAL B C 1 ATOM 2549 O O . VAL B 2 173 ? 9.116 -33.717 50.997 1.00 55.80 ? 143 VAL B O 1 ATOM 2550 C CB . VAL B 2 173 ? 6.467 -34.756 52.026 1.00 58.98 ? 143 VAL B CB 1 ATOM 2551 N N . SER B 2 174 ? 8.787 -35.275 49.393 1.00 50.11 ? 144 SER B N 1 ATOM 2552 C CA . SER B 2 174 ? 9.626 -34.610 48.405 1.00 48.27 ? 144 SER B CA 1 ATOM 2553 C C . SER B 2 174 ? 8.823 -34.082 47.228 1.00 50.12 ? 144 SER B C 1 ATOM 2554 O O . SER B 2 174 ? 7.885 -34.740 46.755 1.00 49.83 ? 144 SER B O 1 ATOM 2555 C CB . SER B 2 174 ? 10.703 -35.559 47.886 1.00 51.43 ? 144 SER B CB 1 ATOM 2556 O OG . SER B 2 174 ? 11.412 -34.993 46.793 1.00 58.22 ? 144 SER B OG 1 ATOM 2557 N N . THR B 2 175 ? 9.242 -32.911 46.719 1.00 44.17 ? 145 THR B N 1 ATOM 2558 C CA . THR B 2 175 ? 8.653 -32.298 45.527 1.00 42.26 ? 145 THR B CA 1 ATOM 2559 C C . THR B 2 175 ? 9.066 -33.132 44.323 1.00 42.43 ? 145 THR B C 1 ATOM 2560 O O . THR B 2 175 ? 10.132 -33.746 44.393 1.00 41.15 ? 145 THR B O 1 ATOM 2561 C CB . THR B 2 175 ? 9.118 -30.821 45.342 1.00 48.36 ? 145 THR B CB 1 ATOM 2562 O OG1 . THR B 2 175 ? 10.455 -30.774 44.832 1.00 43.87 ? 145 THR B OG1 1 ATOM 2563 C CG2 . THR B 2 175 ? 8.977 -29.979 46.598 1.00 50.05 ? 145 THR B CG2 1 ATOM 2564 N N . PRO B 2 176 ? 8.329 -33.141 43.188 1.00 37.15 ? 146 PRO B N 1 ATOM 2565 C CA . PRO B 2 176 ? 8.855 -33.864 42.010 1.00 35.45 ? 146 PRO B CA 1 ATOM 2566 C C . PRO B 2 176 ? 10.101 -33.145 41.460 1.00 37.20 ? 146 PRO B C 1 ATOM 2567 O O . PRO B 2 176 ? 10.436 -32.052 41.939 1.00 36.92 ? 146 PRO B O 1 ATOM 2568 C CB . PRO B 2 176 ? 7.686 -33.842 41.017 1.00 37.04 ? 146 PRO B CB 1 ATOM 2569 C CG . PRO B 2 176 ? 6.835 -32.696 41.428 1.00 42.14 ? 146 PRO B CG 1 ATOM 2570 C CD . PRO B 2 176 ? 7.049 -32.458 42.894 1.00 38.69 ? 146 PRO B CD 1 ATOM 2571 N N . LEU B 2 177 ? 10.809 -33.750 40.486 1.00 31.76 ? 147 LEU B N 1 ATOM 2572 C CA . LEU B 2 177 ? 11.973 -33.089 39.900 1.00 30.13 ? 147 LEU B CA 1 ATOM 2573 C C . LEU B 2 177 ? 11.510 -31.817 39.181 1.00 33.72 ? 147 LEU B C 1 ATOM 2574 O O . LEU B 2 177 ? 10.494 -31.840 38.482 1.00 33.48 ? 147 LEU B O 1 ATOM 2575 C CB . LEU B 2 177 ? 12.745 -34.022 38.957 1.00 29.29 ? 147 LEU B CB 1 ATOM 2576 C CG . LEU B 2 177 ? 14.061 -33.474 38.387 1.00 32.64 ? 147 LEU B CG 1 ATOM 2577 C CD1 . LEU B 2 177 ? 15.169 -33.464 39.430 1.00 32.89 ? 147 LEU B CD1 1 ATOM 2578 C CD2 . LEU B 2 177 ? 14.484 -34.264 37.188 1.00 33.62 ? 147 LEU B CD2 1 ATOM 2579 N N . ILE B 2 178 ? 12.214 -30.702 39.432 1.00 29.63 ? 148 ILE B N 1 ATOM 2580 C CA . ILE B 2 178 ? 11.894 -29.379 38.900 1.00 28.72 ? 148 ILE B CA 1 ATOM 2581 C C . ILE B 2 178 ? 12.915 -28.990 37.838 1.00 30.14 ? 148 ILE B C 1 ATOM 2582 O O . ILE B 2 178 ? 14.118 -28.962 38.103 1.00 29.87 ? 148 ILE B O 1 ATOM 2583 C CB . ILE B 2 178 ? 11.813 -28.308 40.047 1.00 32.65 ? 148 ILE B CB 1 ATOM 2584 C CG1 . ILE B 2 178 ? 10.851 -28.726 41.201 1.00 34.82 ? 148 ILE B CG1 1 ATOM 2585 C CG2 . ILE B 2 178 ? 11.485 -26.900 39.523 1.00 32.45 ? 148 ILE B CG2 1 ATOM 2586 C CD1 . ILE B 2 178 ? 9.303 -28.866 40.882 1.00 47.67 ? 148 ILE B CD1 1 ATOM 2587 N N . ARG B 2 179 ? 12.418 -28.683 36.639 1.00 25.19 ? 149 ARG B N 1 ATOM 2588 C CA . ARG B 2 179 ? 13.217 -28.232 35.512 1.00 23.76 ? 149 ARG B CA 1 ATOM 2589 C C . ARG B 2 179 ? 13.231 -26.708 35.553 1.00 28.12 ? 149 ARG B C 1 ATOM 2590 O O . ARG B 2 179 ? 12.167 -26.092 35.507 1.00 28.18 ? 149 ARG B O 1 ATOM 2591 C CB . ARG B 2 179 ? 12.630 -28.770 34.196 1.00 21.05 ? 149 ARG B CB 1 ATOM 2592 C CG . ARG B 2 179 ? 13.467 -28.422 32.973 1.00 27.25 ? 149 ARG B CG 1 ATOM 2593 C CD . ARG B 2 179 ? 12.778 -28.778 31.656 1.00 26.55 ? 149 ARG B CD 1 ATOM 2594 N NE . ARG B 2 179 ? 12.524 -30.216 31.531 1.00 26.16 ? 149 ARG B NE 1 ATOM 2595 C CZ . ARG B 2 179 ? 13.420 -31.112 31.134 1.00 31.87 ? 149 ARG B CZ 1 ATOM 2596 N NH1 . ARG B 2 179 ? 14.646 -30.732 30.798 1.00 21.60 1 149 ARG B NH1 1 ATOM 2597 N NH2 . ARG B 2 179 ? 13.097 -32.395 31.068 1.00 16.21 ? 149 ARG B NH2 1 ATOM 2598 N N . ASN B 2 180 ? 14.399 -26.123 35.675 1.00 24.31 ? 150 ASN B N 1 ATOM 2599 C CA . ASN B 2 180 ? 14.538 -24.694 35.763 1.00 23.73 ? 150 ASN B CA 1 ATOM 2600 C C . ASN B 2 180 ? 14.482 -24.019 34.386 1.00 26.55 ? 150 ASN B C 1 ATOM 2601 O O . ASN B 2 180 ? 14.157 -22.880 34.297 1.00 26.14 ? 150 ASN B O 1 ATOM 2602 C CB . ASN B 2 180 ? 15.831 -24.305 36.500 1.00 22.01 ? 150 ASN B CB 1 ATOM 2603 C CG . ASN B 2 180 ? 15.820 -24.643 37.976 1.00 32.61 ? 150 ASN B CG 1 ATOM 2604 O OD1 . ASN B 2 180 ? 14.827 -24.572 38.617 1.00 25.64 ? 150 ASN B OD1 1 ATOM 2605 N ND2 . ASN B 2 180 ? 16.944 -24.995 38.499 1.00 20.48 ? 150 ASN B ND2 1 ATOM 2606 N N . GLY B 2 181 ? 14.850 -24.749 33.343 1.00 22.53 ? 151 GLY B N 1 ATOM 2607 C CA . GLY B 2 181 ? 14.852 -24.292 31.954 1.00 22.60 ? 151 GLY B CA 1 ATOM 2608 C C . GLY B 2 181 ? 16.167 -23.724 31.457 1.00 28.18 ? 151 GLY B C 1 ATOM 2609 O O . GLY B 2 181 ? 16.267 -23.336 30.292 1.00 27.45 ? 151 GLY B O 1 ATOM 2610 N N . ASP B 2 182 ? 17.181 -23.647 32.339 1.00 25.58 ? 152 ASP B N 1 ATOM 2611 C CA . ASP B 2 182 ? 18.509 -23.110 32.017 1.00 25.18 ? 152 ASP B CA 1 ATOM 2612 C C . ASP B 2 182 ? 19.591 -24.212 32.146 1.00 28.61 ? 152 ASP B C 1 ATOM 2613 O O . ASP B 2 182 ? 20.760 -23.925 32.442 1.00 29.24 ? 152 ASP B O 1 ATOM 2614 C CB . ASP B 2 182 ? 18.820 -21.902 32.922 1.00 27.35 ? 152 ASP B CB 1 ATOM 2615 C CG . ASP B 2 182 ? 18.885 -22.216 34.411 1.00 34.37 ? 152 ASP B CG 1 ATOM 2616 O OD1 . ASP B 2 182 ? 18.365 -23.278 34.821 1.00 32.43 ? 152 ASP B OD1 1 ATOM 2617 O OD2 . ASP B 2 182 ? 19.461 -21.401 35.163 1.00 42.11 -1 152 ASP B OD2 1 ATOM 2618 N N . TRP B 2 183 ? 19.175 -25.474 31.914 1.00 23.13 ? 153 TRP B N 1 ATOM 2619 C CA . TRP B 2 183 ? 19.993 -26.688 31.940 1.00 22.07 ? 153 TRP B CA 1 ATOM 2620 C C . TRP B 2 183 ? 20.408 -27.057 33.366 1.00 26.28 ? 153 TRP B C 1 ATOM 2621 O O . TRP B 2 183 ? 21.464 -27.658 33.572 1.00 27.05 ? 153 TRP B O 1 ATOM 2622 C CB . TRP B 2 183 ? 21.210 -26.581 31.001 1.00 20.00 ? 153 TRP B CB 1 ATOM 2623 C CG . TRP B 2 183 ? 20.826 -26.494 29.555 1.00 20.13 ? 153 TRP B CG 1 ATOM 2624 C CD1 . TRP B 2 183 ? 20.436 -25.377 28.874 1.00 23.10 ? 153 TRP B CD1 1 ATOM 2625 C CD2 . TRP B 2 183 ? 20.800 -27.571 28.613 1.00 19.49 ? 153 TRP B CD2 1 ATOM 2626 N NE1 . TRP B 2 183 ? 20.172 -25.692 27.559 1.00 21.90 ? 153 TRP B NE1 1 ATOM 2627 C CE2 . TRP B 2 183 ? 20.400 -27.030 27.368 1.00 23.07 ? 153 TRP B CE2 1 ATOM 2628 C CE3 . TRP B 2 183 ? 21.109 -28.941 28.690 1.00 20.44 ? 153 TRP B CE3 1 ATOM 2629 C CZ2 . TRP B 2 183 ? 20.265 -27.818 26.218 1.00 21.99 ? 153 TRP B CZ2 1 ATOM 2630 C CZ3 . TRP B 2 183 ? 20.985 -29.720 27.547 1.00 21.31 ? 153 TRP B CZ3 1 ATOM 2631 C CH2 . TRP B 2 183 ? 20.557 -29.162 26.332 1.00 21.70 ? 153 TRP B CH2 1 ATOM 2632 N N . THR B 2 184 ? 19.606 -26.659 34.333 1.00 21.64 ? 154 THR B N 1 ATOM 2633 C CA . THR B 2 184 ? 19.719 -27.111 35.705 1.00 21.50 ? 154 THR B CA 1 ATOM 2634 C C . THR B 2 184 ? 18.394 -27.600 36.283 1.00 24.86 ? 154 THR B C 1 ATOM 2635 O O . THR B 2 184 ? 17.344 -27.158 35.898 1.00 23.57 ? 154 THR B O 1 ATOM 2636 C CB . THR B 2 184 ? 20.344 -26.085 36.679 1.00 27.52 ? 154 THR B CB 1 ATOM 2637 O OG1 . THR B 2 184 ? 19.718 -24.842 36.540 1.00 28.28 ? 154 THR B OG1 1 ATOM 2638 C CG2 . THR B 2 184 ? 21.730 -25.905 36.434 1.00 25.37 ? 154 THR B CG2 1 ATOM 2639 N N . PHE B 2 185 ? 18.506 -28.506 37.224 1.00 21.23 ? 155 PHE B N 1 ATOM 2640 C CA . PHE B 2 185 ? 17.387 -29.041 37.939 1.00 21.39 ? 155 PHE B CA 1 ATOM 2641 C C . PHE B 2 185 ? 17.398 -28.669 39.420 1.00 26.10 ? 155 PHE B C 1 ATOM 2642 O O . PHE B 2 185 ? 18.355 -28.204 39.964 1.00 24.96 ? 155 PHE B O 1 ATOM 2643 C CB . PHE B 2 185 ? 17.343 -30.554 37.781 1.00 23.10 ? 155 PHE B CB 1 ATOM 2644 C CG . PHE B 2 185 ? 17.052 -31.012 36.393 1.00 24.21 ? 155 PHE B CG 1 ATOM 2645 C CD1 . PHE B 2 185 ? 15.776 -31.028 35.910 1.00 27.20 ? 155 PHE B CD1 1 ATOM 2646 C CD2 . PHE B 2 185 ? 18.057 -31.424 35.576 1.00 26.09 ? 155 PHE B CD2 1 ATOM 2647 C CE1 . PHE B 2 185 ? 15.509 -31.457 34.645 1.00 27.64 ? 155 PHE B CE1 1 ATOM 2648 C CE2 . PHE B 2 185 ? 17.788 -31.866 34.311 1.00 28.41 ? 155 PHE B CE2 1 ATOM 2649 C CZ . PHE B 2 185 ? 16.513 -31.881 33.845 1.00 26.18 ? 155 PHE B CZ 1 ATOM 2650 N N . GLN B 2 186 ? 16.285 -28.938 40.052 1.00 24.01 ? 156 GLN B N 1 ATOM 2651 C CA . GLN B 2 186 ? 16.048 -28.605 41.442 1.00 24.60 ? 156 GLN B CA 1 ATOM 2652 C C . GLN B 2 186 ? 15.148 -29.639 42.068 1.00 30.42 ? 156 GLN B C 1 ATOM 2653 O O . GLN B 2 186 ? 14.289 -30.191 41.380 1.00 30.50 ? 156 GLN B O 1 ATOM 2654 C CB . GLN B 2 186 ? 15.351 -27.247 41.462 1.00 25.92 ? 156 GLN B CB 1 ATOM 2655 C CG . GLN B 2 186 ? 15.715 -26.360 42.603 1.00 33.77 ? 156 GLN B CG 1 ATOM 2656 C CD . GLN B 2 186 ? 14.747 -25.211 42.688 1.00 43.45 ? 156 GLN B CD 1 ATOM 2657 O OE1 . GLN B 2 186 ? 14.355 -24.588 41.681 1.00 32.31 ? 156 GLN B OE1 1 ATOM 2658 N NE2 . GLN B 2 186 ? 14.350 -24.905 43.907 1.00 35.88 ? 156 GLN B NE2 1 ATOM 2659 N N . ILE B 2 187 ? 15.316 -29.887 43.367 1.00 28.13 ? 157 ILE B N 1 ATOM 2660 C CA . ILE B 2 187 ? 14.456 -30.799 44.136 1.00 28.84 ? 157 ILE B CA 1 ATOM 2661 C C . ILE B 2 187 ? 14.515 -30.379 45.614 1.00 33.66 ? 157 ILE B C 1 ATOM 2662 O O . ILE B 2 187 ? 15.575 -29.973 46.100 1.00 32.66 ? 157 ILE B O 1 ATOM 2663 C CB . ILE B 2 187 ? 14.741 -32.325 43.898 1.00 31.56 ? 157 ILE B CB 1 ATOM 2664 C CG1 . ILE B 2 187 ? 13.524 -33.193 44.303 1.00 33.21 ? 157 ILE B CG1 1 ATOM 2665 C CG2 . ILE B 2 187 ? 16.048 -32.823 44.535 1.00 30.72 ? 157 ILE B CG2 1 ATOM 2666 C CD1 . ILE B 2 187 ? 13.218 -34.347 43.363 1.00 38.87 ? 157 ILE B CD1 1 ATOM 2667 N N . LEU B 2 188 ? 13.349 -30.409 46.291 1.00 32.18 ? 158 LEU B N 1 ATOM 2668 C CA . LEU B 2 188 ? 13.199 -30.051 47.709 1.00 33.87 ? 158 LEU B CA 1 ATOM 2669 C C . LEU B 2 188 ? 12.599 -31.235 48.464 1.00 40.94 ? 158 LEU B C 1 ATOM 2670 O O . LEU B 2 188 ? 11.541 -31.741 48.075 1.00 40.11 ? 158 LEU B O 1 ATOM 2671 C CB . LEU B 2 188 ? 12.336 -28.773 47.918 1.00 34.41 ? 158 LEU B CB 1 ATOM 2672 C CG . LEU B 2 188 ? 12.354 -27.655 46.844 1.00 38.40 ? 158 LEU B CG 1 ATOM 2673 C CD1 . LEU B 2 188 ? 11.302 -26.604 47.144 1.00 39.68 ? 158 LEU B CD1 1 ATOM 2674 C CD2 . LEU B 2 188 ? 13.709 -26.982 46.732 1.00 39.27 ? 158 LEU B CD2 1 ATOM 2675 N N . VAL B 2 189 ? 13.294 -31.700 49.522 1.00 40.40 ? 159 VAL B N 1 ATOM 2676 C CA . VAL B 2 189 ? 12.849 -32.847 50.322 1.00 42.07 ? 159 VAL B CA 1 ATOM 2677 C C . VAL B 2 189 ? 12.586 -32.396 51.763 1.00 49.54 ? 159 VAL B C 1 ATOM 2678 O O . VAL B 2 189 ? 13.513 -32.051 52.498 1.00 49.45 ? 159 VAL B O 1 ATOM 2679 C CB . VAL B 2 189 ? 13.834 -34.048 50.248 1.00 45.59 ? 159 VAL B CB 1 ATOM 2680 C CG1 . VAL B 2 189 ? 13.291 -35.262 51.007 1.00 46.17 ? 159 VAL B CG1 1 ATOM 2681 C CG2 . VAL B 2 189 ? 14.144 -34.417 48.793 1.00 44.16 ? 159 VAL B CG2 1 ATOM 2682 N N . MET B 2 190 ? 11.305 -32.401 52.146 1.00 49.18 ? 160 MET B N 1 ATOM 2683 C CA . MET B 2 190 ? 10.832 -32.006 53.471 1.00 51.43 ? 160 MET B CA 1 ATOM 2684 C C . MET B 2 190 ? 10.826 -33.211 54.403 1.00 56.38 ? 160 MET B C 1 ATOM 2685 O O . MET B 2 190 ? 10.534 -34.334 53.979 1.00 55.53 ? 160 MET B O 1 ATOM 2686 C CB . MET B 2 190 ? 9.429 -31.366 53.404 1.00 54.96 ? 160 MET B CB 1 ATOM 2687 C CG . MET B 2 190 ? 9.374 -30.054 52.626 1.00 58.74 ? 160 MET B CG 1 ATOM 2688 S SD . MET B 2 190 ? 9.412 -30.275 50.818 1.00 62.24 ? 160 MET B SD 1 ATOM 2689 C CE . MET B 2 190 ? 9.114 -28.580 50.274 1.00 58.77 ? 160 MET B CE 1 ATOM 2690 N N . LEU B 2 191 ? 11.167 -32.972 55.671 1.00 54.24 ? 161 LEU B N 1 ATOM 2691 C CA . LEU B 2 191 ? 11.202 -33.996 56.704 1.00 55.11 ? 161 LEU B CA 1 ATOM 2692 C C . LEU B 2 191 ? 10.414 -33.532 57.927 1.00 60.34 ? 161 LEU B C 1 ATOM 2693 O O . LEU B 2 191 ? 10.750 -32.510 58.534 1.00 59.93 ? 161 LEU B O 1 ATOM 2694 C CB . LEU B 2 191 ? 12.664 -34.348 57.077 1.00 54.83 ? 161 LEU B CB 1 ATOM 2695 C CG . LEU B 2 191 ? 12.902 -35.183 58.351 1.00 60.79 ? 161 LEU B CG 1 ATOM 2696 C CD1 . LEU B 2 191 ? 12.665 -36.664 58.108 1.00 61.12 ? 161 LEU B CD1 1 ATOM 2697 C CD2 . LEU B 2 191 ? 14.291 -34.967 58.880 1.00 62.63 ? 161 LEU B CD2 1 ATOM 2698 N N . GLU B 2 192 ? 9.355 -34.285 58.271 1.00 58.50 ? 162 GLU B N 1 ATOM 2699 C CA . GLU B 2 192 ? 8.533 -34.052 59.461 1.00 60.16 ? 162 GLU B CA 1 ATOM 2700 C C . GLU B 2 192 ? 9.350 -34.526 60.650 1.00 64.76 ? 162 GLU B C 1 ATOM 2701 O O . GLU B 2 192 ? 9.645 -35.723 60.753 1.00 64.11 ? 162 GLU B O 1 ATOM 2702 C CB . GLU B 2 192 ? 7.172 -34.778 59.369 1.00 62.55 ? 162 GLU B CB 1 ATOM 2703 C CG . GLU B 2 192 ? 6.085 -33.983 58.668 1.00 73.22 ? 162 GLU B CG 1 ATOM 2704 C CD . GLU B 2 192 ? 4.715 -34.636 58.682 1.00 96.88 ? 162 GLU B CD 1 ATOM 2705 O OE1 . GLU B 2 192 ? 4.453 -35.488 57.803 1.00 87.15 ? 162 GLU B OE1 1 ATOM 2706 O OE2 . GLU B 2 192 ? 3.898 -34.285 59.565 1.00 96.01 ? 162 GLU B OE2 1 ATOM 2707 N N . MET B 2 193 ? 9.812 -33.588 61.481 1.00 62.18 ? 163 MET B N 1 ATOM 2708 C CA . MET B 2 193 ? 10.653 -33.959 62.614 1.00 63.12 ? 163 MET B CA 1 ATOM 2709 C C . MET B 2 193 ? 10.225 -33.295 63.915 1.00 70.53 ? 163 MET B C 1 ATOM 2710 O O . MET B 2 193 ? 9.762 -32.152 63.930 1.00 70.62 ? 163 MET B O 1 ATOM 2711 C CB . MET B 2 193 ? 12.151 -33.687 62.347 1.00 63.94 ? 163 MET B CB 1 ATOM 2712 C CG . MET B 2 193 ? 12.453 -32.395 61.583 1.00 65.90 ? 163 MET B CG 1 ATOM 2713 S SD . MET B 2 193 ? 12.481 -30.881 62.578 1.00 70.47 ? 163 MET B SD 1 ATOM 2714 C CE . MET B 2 193 ? 14.043 -31.011 63.324 1.00 66.85 ? 163 MET B CE 1 ATOM 2715 N N . THR B 2 194 ? 10.349 -34.040 64.997 1.00 69.34 ? 164 THR B N 1 ATOM 2716 C CA . THR B 2 194 ? 10.106 -33.514 66.309 1.00 71.37 ? 164 THR B CA 1 ATOM 2717 C C . THR B 2 194 ? 11.461 -33.541 66.968 1.00 75.24 ? 164 THR B C 1 ATOM 2718 O O . THR B 2 194 ? 11.946 -34.577 67.394 1.00 75.19 ? 164 THR B O 1 ATOM 2719 C CB . THR B 2 194 ? 9.070 -34.352 67.047 1.00 84.17 ? 164 THR B CB 1 ATOM 2720 O OG1 . THR B 2 194 ? 9.320 -35.733 66.793 1.00 85.38 ? 164 THR B OG1 1 ATOM 2721 C CG2 . THR B 2 194 ? 7.683 -34.025 66.526 1.00 83.01 ? 164 THR B CG2 1 ATOM 2722 N N . PRO B 2 195 ? 12.107 -32.301 66.942 1.00 71.00 ? 165 PRO B N 1 ATOM 2723 C CA . PRO B 2 195 ? 13.487 -32.366 67.423 1.00 70.61 ? 165 PRO B CA 1 ATOM 2724 C C . PRO B 2 195 ? 13.734 -32.420 68.931 1.00 76.37 ? 165 PRO B C 1 ATOM 2725 O O . PRO B 2 195 ? 13.263 -31.554 69.664 1.00 77.13 ? 165 PRO B O 1 ATOM 2726 C CB . PRO B 2 195 ? 14.115 -31.099 66.863 1.00 71.20 ? 165 PRO B CB 1 ATOM 2727 C CG . PRO B 2 195 ? 13.064 -30.126 66.888 1.00 76.29 ? 165 PRO B CG 1 ATOM 2728 C CD . PRO B 2 195 ? 11.852 -30.847 66.484 1.00 72.03 ? 165 PRO B CD 1 ATOM 2729 N N . GLN B 2 196 ? 14.545 -33.395 69.331 1.00 72.90 ? 166 GLN B N 1 ATOM 2730 C CA . GLN B 2 196 ? 15.033 -33.594 70.679 1.00 74.06 ? 166 GLN B CA 1 ATOM 2731 C C . GLN B 2 196 ? 16.257 -32.751 70.912 1.00 76.97 ? 166 GLN B C 1 ATOM 2732 O O . GLN B 2 196 ? 16.572 -31.918 70.108 1.00 75.28 ? 166 GLN B O 1 ATOM 2733 C CB . GLN B 2 196 ? 15.421 -35.041 70.868 1.00 75.80 ? 166 GLN B CB 1 ATOM 2734 C CG . GLN B 2 196 ? 14.287 -35.968 71.236 1.00 94.83 ? 166 GLN B CG 1 ATOM 2735 C CD . GLN B 2 196 ? 14.698 -37.426 71.175 1.00 116.33 ? 166 GLN B CD 1 ATOM 2736 O OE1 . GLN B 2 196 ? 15.022 -37.927 70.107 1.00 110.90 ? 166 GLN B OE1 1 ATOM 2737 N NE2 . GLN B 2 196 ? 14.688 -38.118 72.321 1.00 109.57 ? 166 GLN B NE2 1 ATOM 2738 N N . ARG B 2 197 ? 16.874 -32.901 72.072 1.00 74.42 ? 167 ARG B N 1 ATOM 2739 C CA . ARG B 2 197 ? 18.142 -32.257 72.453 1.00 73.86 ? 167 ARG B CA 1 ATOM 2740 C C . ARG B 2 197 ? 19.462 -32.649 71.787 1.00 76.11 ? 167 ARG B C 1 ATOM 2741 O O . ARG B 2 197 ? 20.307 -31.796 71.563 1.00 75.37 ? 167 ARG B O 1 ATOM 2742 C CB . ARG B 2 197 ? 18.342 -32.306 73.971 1.00 75.13 ? 167 ARG B CB 1 ATOM 2743 C CG . ARG B 2 197 ? 19.614 -31.639 74.449 1.00 84.38 ? 167 ARG B CG 1 ATOM 2744 C CD . ARG B 2 197 ? 19.827 -31.739 75.939 1.00 97.34 ? 167 ARG B CD 1 ATOM 2745 N NE . ARG B 2 197 ? 20.056 -30.433 76.543 1.00 108.00 ? 167 ARG B NE 1 ATOM 2746 C CZ . ARG B 2 197 ? 21.248 -29.879 76.742 1.00 123.66 ? 167 ARG B CZ 1 ATOM 2747 N NH1 . ARG B 2 197 ? 21.303 -28.686 77.317 1.00 109.53 ? 167 ARG B NH1 1 ATOM 2748 N NH2 . ARG B 2 197 ? 22.377 -30.505 76.382 1.00 113.30 ? 167 ARG B NH2 1 ATOM 2749 N N . GLY B 2 198 ? 19.684 -33.929 71.560 1.00 71.64 ? 168 GLY B N 1 ATOM 2750 C CA . GLY B 2 198 ? 20.953 -34.352 70.983 1.00 69.87 ? 168 GLY B CA 1 ATOM 2751 C C . GLY B 2 198 ? 21.026 -34.507 69.477 1.00 70.18 ? 168 GLY B C 1 ATOM 2752 O O . GLY B 2 198 ? 22.048 -34.825 68.929 1.00 68.22 ? 168 GLY B O 1 ATOM 2753 N N . ASP B 2 199 ? 19.903 -34.281 68.832 1.00 66.01 ? 169 ASP B N 1 ATOM 2754 C CA . ASP B 2 199 ? 19.637 -34.763 67.501 1.00 64.49 ? 169 ASP B CA 1 ATOM 2755 C C . ASP B 2 199 ? 20.479 -34.128 66.404 1.00 66.33 ? 169 ASP B C 1 ATOM 2756 O O . ASP B 2 199 ? 20.656 -32.931 66.351 1.00 65.77 ? 169 ASP B O 1 ATOM 2757 C CB . ASP B 2 199 ? 18.164 -34.571 67.200 1.00 66.56 ? 169 ASP B CB 1 ATOM 2758 C CG . ASP B 2 199 ? 17.309 -35.653 67.777 1.00 77.53 ? 169 ASP B CG 1 ATOM 2759 O OD1 . ASP B 2 199 ? 17.817 -36.685 68.213 1.00 78.11 ? 169 ASP B OD1 1 ATOM 2760 O OD2 . ASP B 2 199 ? 16.099 -35.485 67.767 1.00 84.35 -1 169 ASP B OD2 1 ATOM 2761 N N . VAL B 2 200 ? 20.989 -34.960 65.524 1.00 61.34 ? 170 VAL B N 1 ATOM 2762 C CA . VAL B 2 200 ? 21.719 -34.499 64.340 1.00 59.37 ? 170 VAL B CA 1 ATOM 2763 C C . VAL B 2 200 ? 20.944 -34.964 63.101 1.00 60.09 ? 170 VAL B C 1 ATOM 2764 O O . VAL B 2 200 ? 20.611 -36.144 62.977 1.00 59.84 ? 170 VAL B O 1 ATOM 2765 C CB . VAL B 2 200 ? 23.231 -34.880 64.280 1.00 63.49 ? 170 VAL B CB 1 ATOM 2766 C CG1 . VAL B 2 200 ? 24.041 -34.084 65.299 1.00 64.30 ? 170 VAL B CG1 1 ATOM 2767 C CG2 . VAL B 2 200 ? 23.466 -36.381 64.449 1.00 63.88 ? 170 VAL B CG2 1 ATOM 2768 N N . TYR B 2 201 ? 20.603 -34.025 62.224 1.00 54.18 ? 171 TYR B N 1 ATOM 2769 C CA . TYR B 2 201 ? 19.847 -34.336 61.018 1.00 52.40 ? 171 TYR B CA 1 ATOM 2770 C C . TYR B 2 201 ? 20.761 -34.259 59.801 1.00 53.69 ? 171 TYR B C 1 ATOM 2771 O O . TYR B 2 201 ? 21.465 -33.271 59.619 1.00 52.55 ? 171 TYR B O 1 ATOM 2772 C CB . TYR B 2 201 ? 18.633 -33.416 60.887 1.00 53.42 ? 171 TYR B CB 1 ATOM 2773 C CG . TYR B 2 201 ? 17.583 -33.684 61.943 1.00 56.24 ? 171 TYR B CG 1 ATOM 2774 C CD1 . TYR B 2 201 ? 17.629 -33.046 63.179 1.00 59.43 ? 171 TYR B CD1 1 ATOM 2775 C CD2 . TYR B 2 201 ? 16.552 -34.588 61.714 1.00 57.09 ? 171 TYR B CD2 1 ATOM 2776 C CE1 . TYR B 2 201 ? 16.676 -33.306 64.164 1.00 61.82 ? 171 TYR B CE1 1 ATOM 2777 C CE2 . TYR B 2 201 ? 15.576 -34.832 62.677 1.00 59.39 ? 171 TYR B CE2 1 ATOM 2778 C CZ . TYR B 2 201 ? 15.645 -34.195 63.905 1.00 67.87 ? 171 TYR B CZ 1 ATOM 2779 O OH . TYR B 2 201 ? 14.684 -34.442 64.857 1.00 69.30 ? 171 TYR B OH 1 ATOM 2780 N N . THR B 2 202 ? 20.778 -35.326 58.996 1.00 48.62 ? 172 THR B N 1 ATOM 2781 C CA . THR B 2 202 ? 21.671 -35.425 57.855 1.00 46.76 ? 172 THR B CA 1 ATOM 2782 C C . THR B 2 202 ? 20.908 -35.602 56.546 1.00 48.82 ? 172 THR B C 1 ATOM 2783 O O . THR B 2 202 ? 20.068 -36.498 56.429 1.00 49.34 ? 172 THR B O 1 ATOM 2784 C CB . THR B 2 202 ? 22.657 -36.585 58.105 1.00 54.64 ? 172 THR B CB 1 ATOM 2785 O OG1 . THR B 2 202 ? 23.528 -36.203 59.164 1.00 56.23 ? 172 THR B OG1 1 ATOM 2786 C CG2 . THR B 2 202 ? 23.490 -36.951 56.878 1.00 52.52 ? 172 THR B CG2 1 ATOM 2787 N N . CYS B 2 203 ? 21.148 -34.737 55.528 1.00 42.39 ? 173 CYS B N 1 ATOM 2788 C CA . CYS B 2 203 ? 20.528 -34.824 54.166 1.00 40.75 ? 173 CYS B CA 1 ATOM 2789 C C . CYS B 2 203 ? 21.646 -35.462 53.381 1.00 40.78 ? 173 CYS B C 1 ATOM 2790 O O . CYS B 2 203 ? 22.664 -34.903 53.282 1.00 39.62 ? 173 CYS B O 1 ATOM 2791 C CB . CYS B 2 203 ? 20.192 -33.429 53.515 1.00 40.87 ? 173 CYS B CB 1 ATOM 2792 S SG . CYS B 2 203 ? 19.184 -33.088 51.974 1.00 44.02 ? 173 CYS B SG 1 ATOM 2793 N N . HIS B 2 204 ? 21.449 -36.643 52.841 1.00 34.72 ? 174 HIS B N 1 ATOM 2794 C CA A HIS B 2 204 ? 22.383 -37.325 51.968 0.50 33.22 ? 174 HIS B CA 1 ATOM 2795 C CA B HIS B 2 204 ? 22.342 -37.214 51.932 0.50 32.91 ? 174 HIS B CA 1 ATOM 2796 C C . HIS B 2 204 ? 22.086 -37.416 50.321 1.00 34.79 ? 174 HIS B C 1 ATOM 2797 O O . HIS B 2 204 ? 20.987 -37.745 49.936 1.00 34.51 ? 174 HIS B O 1 ATOM 2798 C CB A HIS B 2 204 ? 22.395 -38.734 52.551 0.50 34.73 ? 174 HIS B CB 1 ATOM 2799 C CB B HIS B 2 204 ? 22.603 -38.684 52.324 0.50 34.15 ? 174 HIS B CB 1 ATOM 2800 C CG A HIS B 2 204 ? 23.532 -39.611 52.134 0.50 37.81 ? 174 HIS B CG 1 ATOM 2801 C CG B HIS B 2 204 ? 22.903 -38.945 53.766 0.50 38.57 ? 174 HIS B CG 1 ATOM 2802 N ND1 A HIS B 2 204 ? 24.641 -39.818 52.926 0.50 40.08 ? 174 HIS B ND1 1 ATOM 2803 N ND1 B HIS B 2 204 ? 24.158 -38.845 54.309 0.50 40.52 ? 174 HIS B ND1 1 ATOM 2804 C CD2 A HIS B 2 204 ? 23.688 -40.422 51.065 0.50 38.48 ? 174 HIS B CD2 1 ATOM 2805 C CD2 B HIS B 2 204 ? 22.131 -39.498 54.730 0.50 41.39 ? 174 HIS B CD2 1 ATOM 2806 C CE1 A HIS B 2 204 ? 25.446 -40.681 52.342 0.50 38.97 ? 174 HIS B CE1 1 ATOM 2807 C CE1 B HIS B 2 204 ? 24.140 -39.255 55.558 0.50 41.08 ? 174 HIS B CE1 1 ATOM 2808 N NE2 A HIS B 2 204 ? 24.889 -41.063 51.213 0.50 38.51 ? 174 HIS B NE2 1 ATOM 2809 N NE2 B HIS B 2 204 ? 22.925 -39.653 55.840 0.50 42.00 ? 174 HIS B NE2 1 ATOM 2810 N N . VAL B 2 205 ? 22.970 -36.838 49.548 1.00 28.62 ? 175 VAL B N 1 ATOM 2811 C CA . VAL B 2 205 ? 22.678 -36.562 48.168 1.00 26.33 ? 175 VAL B CA 1 ATOM 2812 C C . VAL B 2 205 ? 23.652 -37.205 47.220 1.00 29.87 ? 175 VAL B C 1 ATOM 2813 O O . VAL B 2 205 ? 24.807 -37.008 47.312 1.00 29.54 ? 175 VAL B O 1 ATOM 2814 C CB . VAL B 2 205 ? 22.640 -35.054 47.938 1.00 28.88 ? 175 VAL B CB 1 ATOM 2815 C CG1 . VAL B 2 205 ? 22.448 -34.732 46.485 1.00 27.40 ? 175 VAL B CG1 1 ATOM 2816 C CG2 . VAL B 2 205 ? 21.540 -34.435 48.756 1.00 29.07 ? 175 VAL B CG2 1 ATOM 2817 N N . GLU B 2 206 ? 23.134 -37.974 46.290 1.00 26.72 ? 176 GLU B N 1 ATOM 2818 C CA . GLU B 2 206 ? 23.905 -38.645 45.245 1.00 26.20 ? 176 GLU B CA 1 ATOM 2819 C C . GLU B 2 206 ? 23.492 -38.106 43.870 1.00 27.39 ? 176 GLU B C 1 ATOM 2820 O O . GLU B 2 206 ? 22.312 -37.852 43.614 1.00 25.92 ? 176 GLU B O 1 ATOM 2821 C CB . GLU B 2 206 ? 23.744 -40.172 45.319 1.00 28.49 ? 176 GLU B CB 1 ATOM 2822 C CG . GLU B 2 206 ? 24.513 -40.796 46.476 1.00 43.78 ? 176 GLU B CG 1 ATOM 2823 C CD . GLU B 2 206 ? 24.218 -42.248 46.812 1.00 75.94 ? 176 GLU B CD 1 ATOM 2824 O OE1 . GLU B 2 206 ? 23.585 -42.946 45.987 1.00 73.39 ? 176 GLU B OE1 1 ATOM 2825 O OE2 . GLU B 2 206 ? 24.644 -42.694 47.903 1.00 78.59 -1 176 GLU B OE2 1 ATOM 2826 N N . HIS B 2 207 ? 24.489 -37.911 42.998 1.00 23.15 ? 177 HIS B N 1 ATOM 2827 C CA . HIS B 2 207 ? 24.342 -37.346 41.664 1.00 21.55 ? 177 HIS B CA 1 ATOM 2828 C C . HIS B 2 207 ? 25.481 -37.838 40.769 1.00 26.67 ? 177 HIS B C 1 ATOM 2829 O O . HIS B 2 207 ? 26.595 -38.013 41.275 1.00 27.15 ? 177 HIS B O 1 ATOM 2830 C CB . HIS B 2 207 ? 24.345 -35.805 41.768 1.00 21.48 ? 177 HIS B CB 1 ATOM 2831 C CG . HIS B 2 207 ? 24.055 -35.091 40.481 1.00 23.47 ? 177 HIS B CG 1 ATOM 2832 N ND1 . HIS B 2 207 ? 25.073 -34.699 39.632 1.00 24.55 ? 177 HIS B ND1 1 ATOM 2833 C CD2 . HIS B 2 207 ? 22.871 -34.739 39.932 1.00 23.94 ? 177 HIS B CD2 1 ATOM 2834 C CE1 . HIS B 2 207 ? 24.481 -34.118 38.605 1.00 22.78 ? 177 HIS B CE1 1 ATOM 2835 N NE2 . HIS B 2 207 ? 23.159 -34.113 38.743 1.00 22.88 ? 177 HIS B NE2 1 ATOM 2836 N N . PRO B 2 208 ? 25.270 -38.022 39.435 1.00 23.18 ? 178 PRO B N 1 ATOM 2837 C CA . PRO B 2 208 ? 26.362 -38.508 38.581 1.00 22.98 ? 178 PRO B CA 1 ATOM 2838 C C . PRO B 2 208 ? 27.648 -37.673 38.626 1.00 27.96 ? 178 PRO B C 1 ATOM 2839 O O . PRO B 2 208 ? 28.724 -38.239 38.427 1.00 28.27 ? 178 PRO B O 1 ATOM 2840 C CB . PRO B 2 208 ? 25.741 -38.463 37.186 1.00 23.78 ? 178 PRO B CB 1 ATOM 2841 C CG . PRO B 2 208 ? 24.319 -38.691 37.422 1.00 27.72 ? 178 PRO B CG 1 ATOM 2842 C CD . PRO B 2 208 ? 24.021 -37.906 38.651 1.00 23.71 ? 178 PRO B CD 1 ATOM 2843 N N . SER B 2 209 ? 27.550 -36.351 38.913 1.00 24.53 ? 179 SER B N 1 ATOM 2844 C CA . SER B 2 209 ? 28.708 -35.445 38.966 1.00 24.16 ? 179 SER B CA 1 ATOM 2845 C C . SER B 2 209 ? 29.612 -35.679 40.188 1.00 28.32 ? 179 SER B C 1 ATOM 2846 O O . SER B 2 209 ? 30.702 -35.103 40.245 1.00 29.08 ? 179 SER B O 1 ATOM 2847 C CB . SER B 2 209 ? 28.247 -33.990 38.966 1.00 26.89 ? 179 SER B CB 1 ATOM 2848 O OG . SER B 2 209 ? 27.613 -33.664 40.190 1.00 33.76 ? 179 SER B OG 1 ATOM 2849 N N . LEU B 2 210 ? 29.165 -36.495 41.161 1.00 24.01 ? 180 LEU B N 1 ATOM 2850 C CA . LEU B 2 210 ? 29.906 -36.716 42.401 1.00 24.70 ? 180 LEU B CA 1 ATOM 2851 C C . LEU B 2 210 ? 30.515 -38.103 42.515 1.00 31.02 ? 180 LEU B C 1 ATOM 2852 O O . LEU B 2 210 ? 29.912 -39.108 42.118 1.00 30.94 ? 180 LEU B O 1 ATOM 2853 C CB . LEU B 2 210 ? 29.003 -36.494 43.623 1.00 24.74 ? 180 LEU B CB 1 ATOM 2854 C CG . LEU B 2 210 ? 28.219 -35.194 43.730 1.00 28.52 ? 180 LEU B CG 1 ATOM 2855 C CD1 . LEU B 2 210 ? 27.072 -35.355 44.711 1.00 28.82 ? 180 LEU B CD1 1 ATOM 2856 C CD2 . LEU B 2 210 ? 29.126 -34.020 44.104 1.00 29.89 ? 180 LEU B CD2 1 ATOM 2857 N N . GLN B 2 211 ? 31.704 -38.146 43.122 1.00 29.14 ? 181 GLN B N 1 ATOM 2858 C CA . GLN B 2 211 ? 32.443 -39.366 43.401 1.00 29.87 ? 181 GLN B CA 1 ATOM 2859 C C . GLN B 2 211 ? 31.938 -39.951 44.729 1.00 36.19 ? 181 GLN B C 1 ATOM 2860 O O . GLN B 2 211 ? 31.841 -41.173 44.882 1.00 36.45 ? 181 GLN B O 1 ATOM 2861 C CB . GLN B 2 211 ? 33.952 -39.048 43.448 1.00 31.40 ? 181 GLN B CB 1 ATOM 2862 C CG . GLN B 2 211 ? 34.878 -40.234 43.148 1.00 42.79 ? 181 GLN B CG 1 ATOM 2863 C CD . GLN B 2 211 ? 34.683 -40.858 41.780 1.00 54.72 ? 181 GLN B CD 1 ATOM 2864 O OE1 . GLN B 2 211 ? 34.324 -40.194 40.799 1.00 44.19 ? 181 GLN B OE1 1 ATOM 2865 N NE2 . GLN B 2 211 ? 34.921 -42.163 41.691 1.00 48.79 ? 181 GLN B NE2 1 ATOM 2866 N N . ASN B 2 212 ? 31.587 -39.055 45.674 1.00 34.03 ? 182 ASN B N 1 ATOM 2867 C CA . ASN B 2 212 ? 31.085 -39.371 47.010 1.00 35.14 ? 182 ASN B CA 1 ATOM 2868 C C . ASN B 2 212 ? 29.816 -38.554 47.298 1.00 38.96 ? 182 ASN B C 1 ATOM 2869 O O . ASN B 2 212 ? 29.681 -37.453 46.747 1.00 37.74 ? 182 ASN B O 1 ATOM 2870 C CB . ASN B 2 212 ? 32.169 -39.086 48.070 1.00 36.83 ? 182 ASN B CB 1 ATOM 2871 C CG . ASN B 2 212 ? 33.452 -39.843 47.841 1.00 55.37 ? 182 ASN B CG 1 ATOM 2872 O OD1 . ASN B 2 212 ? 33.540 -41.053 48.081 1.00 48.40 ? 182 ASN B OD1 1 ATOM 2873 N ND2 . ASN B 2 212 ? 34.460 -39.151 47.325 1.00 45.58 ? 182 ASN B ND2 1 ATOM 2874 N N . PRO B 2 213 ? 28.882 -39.029 48.165 1.00 35.87 ? 183 PRO B N 1 ATOM 2875 C CA . PRO B 2 213 ? 27.665 -38.243 48.413 1.00 35.23 ? 183 PRO B CA 1 ATOM 2876 C C . PRO B 2 213 ? 27.920 -36.971 49.218 1.00 40.16 ? 183 PRO B C 1 ATOM 2877 O O . PRO B 2 213 ? 28.824 -36.929 50.066 1.00 40.49 ? 183 PRO B O 1 ATOM 2878 C CB . PRO B 2 213 ? 26.764 -39.210 49.194 1.00 37.25 ? 183 PRO B CB 1 ATOM 2879 C CG . PRO B 2 213 ? 27.382 -40.560 49.033 1.00 41.91 ? 183 PRO B CG 1 ATOM 2880 C CD . PRO B 2 213 ? 28.841 -40.303 48.910 1.00 37.84 ? 183 PRO B CD 1 ATOM 2881 N N . ILE B 2 214 ? 27.118 -35.926 48.939 1.00 35.99 ? 184 ILE B N 1 ATOM 2882 C CA . ILE B 2 214 ? 27.192 -34.673 49.680 1.00 36.11 ? 184 ILE B CA 1 ATOM 2883 C C . ILE B 2 214 ? 26.414 -34.886 50.987 1.00 41.60 ? 184 ILE B C 1 ATOM 2884 O O . ILE B 2 214 ? 25.239 -35.265 50.949 1.00 40.73 ? 184 ILE B O 1 ATOM 2885 C CB . ILE B 2 214 ? 26.696 -33.439 48.860 1.00 38.20 ? 184 ILE B CB 1 ATOM 2886 C CG1 . ILE B 2 214 ? 27.688 -33.106 47.716 1.00 37.91 ? 184 ILE B CG1 1 ATOM 2887 C CG2 . ILE B 2 214 ? 26.476 -32.210 49.773 1.00 39.16 ? 184 ILE B CG2 1 ATOM 2888 C CD1 . ILE B 2 214 ? 27.198 -32.061 46.656 1.00 44.37 ? 184 ILE B CD1 1 ATOM 2889 N N . ILE B 2 215 ? 27.089 -34.683 52.134 1.00 40.12 ? 185 ILE B N 1 ATOM 2890 C CA . ILE B 2 215 ? 26.483 -34.825 53.458 1.00 41.27 ? 185 ILE B CA 1 ATOM 2891 C C . ILE B 2 215 ? 26.385 -33.433 54.096 1.00 45.84 ? 185 ILE B C 1 ATOM 2892 O O . ILE B 2 215 ? 27.405 -32.771 54.313 1.00 46.12 ? 185 ILE B O 1 ATOM 2893 C CB . ILE B 2 215 ? 27.255 -35.849 54.340 1.00 45.24 ? 185 ILE B CB 1 ATOM 2894 C CG1 . ILE B 2 215 ? 27.066 -37.289 53.805 1.00 45.56 ? 185 ILE B CG1 1 ATOM 2895 C CG2 . ILE B 2 215 ? 26.827 -35.758 55.807 1.00 47.21 ? 185 ILE B CG2 1 ATOM 2896 C CD1 . ILE B 2 215 ? 28.262 -38.215 54.000 1.00 52.42 ? 185 ILE B CD1 1 ATOM 2897 N N . VAL B 2 216 ? 25.148 -32.983 54.345 1.00 42.13 ? 186 VAL B N 1 ATOM 2898 C CA . VAL B 2 216 ? 24.854 -31.693 54.976 1.00 42.65 ? 186 VAL B CA 1 ATOM 2899 C C . VAL B 2 216 ? 24.078 -31.993 56.269 1.00 48.67 ? 186 VAL B C 1 ATOM 2900 O O . VAL B 2 216 ? 23.121 -32.774 56.243 1.00 47.72 ? 186 VAL B O 1 ATOM 2901 C CB . VAL B 2 216 ? 24.111 -30.704 54.021 1.00 45.58 ? 186 VAL B CB 1 ATOM 2902 C CG1 . VAL B 2 216 ? 23.744 -29.399 54.731 1.00 45.97 ? 186 VAL B CG1 1 ATOM 2903 C CG2 . VAL B 2 216 ? 24.948 -30.403 52.781 1.00 44.32 ? 186 VAL B CG2 1 ATOM 2904 N N . GLU B 2 217 ? 24.523 -31.422 57.402 1.00 48.05 ? 187 GLU B N 1 ATOM 2905 C CA . GLU B 2 217 ? 23.862 -31.675 58.678 1.00 49.99 ? 187 GLU B CA 1 ATOM 2906 C C . GLU B 2 217 ? 23.224 -30.409 59.284 1.00 57.00 ? 187 GLU B C 1 ATOM 2907 O O . GLU B 2 217 ? 23.585 -29.284 58.927 1.00 56.74 ? 187 GLU B O 1 ATOM 2908 C CB . GLU B 2 217 ? 24.786 -32.382 59.694 1.00 52.25 ? 187 GLU B CB 1 ATOM 2909 C CG . GLU B 2 217 ? 26.096 -31.694 60.032 1.00 63.94 ? 187 GLU B CG 1 ATOM 2910 C CD . GLU B 2 217 ? 26.978 -32.522 60.949 1.00 86.61 ? 187 GLU B CD 1 ATOM 2911 O OE1 . GLU B 2 217 ? 27.668 -33.437 60.445 1.00 79.53 ? 187 GLU B OE1 1 ATOM 2912 O OE2 . GLU B 2 217 ? 26.961 -32.272 62.176 1.00 82.87 -1 187 GLU B OE2 1 ATOM 2913 N N . TRP B 2 218 ? 22.228 -30.632 60.167 1.00 55.85 ? 188 TRP B N 1 ATOM 2914 C CA . TRP B 2 218 ? 21.441 -29.636 60.892 1.00 57.35 ? 188 TRP B CA 1 ATOM 2915 C C . TRP B 2 218 ? 21.297 -30.101 62.343 1.00 64.01 ? 188 TRP B C 1 ATOM 2916 O O . TRP B 2 218 ? 20.681 -31.141 62.595 1.00 63.94 ? 188 TRP B O 1 ATOM 2917 C CB . TRP B 2 218 ? 20.059 -29.448 60.221 1.00 55.93 ? 188 TRP B CB 1 ATOM 2918 C CG . TRP B 2 218 ? 19.233 -28.333 60.799 1.00 58.09 ? 188 TRP B CG 1 ATOM 2919 C CD1 . TRP B 2 218 ? 19.154 -27.051 60.340 1.00 60.79 ? 188 TRP B CD1 1 ATOM 2920 C CD2 . TRP B 2 218 ? 18.354 -28.408 61.932 1.00 59.41 ? 188 TRP B CD2 1 ATOM 2921 N NE1 . TRP B 2 218 ? 18.295 -26.317 61.126 1.00 61.38 ? 188 TRP B NE1 1 ATOM 2922 C CE2 . TRP B 2 218 ? 17.788 -27.127 62.109 1.00 63.84 ? 188 TRP B CE2 1 ATOM 2923 C CE3 . TRP B 2 218 ? 17.984 -29.439 62.814 1.00 61.76 ? 188 TRP B CE3 1 ATOM 2924 C CZ2 . TRP B 2 218 ? 16.883 -26.844 63.137 1.00 64.82 ? 188 TRP B CZ2 1 ATOM 2925 C CZ3 . TRP B 2 218 ? 17.109 -29.152 63.851 1.00 64.84 ? 188 TRP B CZ3 1 ATOM 2926 C CH2 . TRP B 2 218 ? 16.564 -27.870 64.002 1.00 66.03 ? 188 TRP B CH2 1 ATOM 2927 N N . ARG B 2 219 ? 21.892 -29.360 63.291 1.00 62.46 ? 189 ARG B N 1 ATOM 2928 C CA . ARG B 2 219 ? 21.829 -29.722 64.706 1.00 64.28 ? 189 ARG B CA 1 ATOM 2929 C C . ARG B 2 219 ? 20.591 -29.126 65.362 1.00 70.28 ? 189 ARG B C 1 ATOM 2930 O O . ARG B 2 219 ? 20.118 -28.065 64.941 1.00 69.36 ? 189 ARG B O 1 ATOM 2931 C CB . ARG B 2 219 ? 23.099 -29.282 65.445 1.00 65.51 ? 189 ARG B CB 1 ATOM 2932 C CG . ARG B 2 219 ? 24.185 -30.346 65.460 1.00 76.58 ? 189 ARG B CG 1 ATOM 2933 C CD . ARG B 2 219 ? 25.559 -29.738 65.667 1.00 89.48 ? 189 ARG B CD 1 ATOM 2934 N NE . ARG B 2 219 ? 26.446 -29.984 64.527 1.00 99.04 ? 189 ARG B NE 1 ATOM 2935 C CZ . ARG B 2 219 ? 26.519 -29.215 63.442 1.00 112.52 ? 189 ARG B CZ 1 ATOM 2936 N NH1 . ARG B 2 219 ? 25.749 -28.139 63.328 1.00 100.64 ? 189 ARG B NH1 1 ATOM 2937 N NH2 . ARG B 2 219 ? 27.357 -29.520 62.461 1.00 97.59 ? 189 ARG B NH2 1 ATOM 2938 N N . ALA B 2 220 ? 20.059 -29.820 66.348 1.00 69.19 ? 190 ALA B N 1 ATOM 2939 C CA . ALA B 2 220 ? 18.892 -29.346 67.075 1.00 70.62 ? 190 ALA B CA 1 ATOM 2940 C C . ALA B 2 220 ? 19.156 -28.093 67.898 1.00 76.41 ? 190 ALA B C 1 ATOM 2941 O O . ALA B 2 220 ? 20.104 -28.010 68.657 1.00 76.23 ? 190 ALA B O 1 ATOM 2942 C CB . ALA B 2 220 ? 18.317 -30.452 67.934 1.00 72.48 ? 190 ALA B CB 1 ATOM 2943 N N . GLN B 2 221 ? 18.278 -27.125 67.695 1.00 74.16 ? 191 GLN B N 1 ATOM 2944 C CA . GLN B 2 221 ? 18.329 -25.774 68.270 1.00 75.36 ? 191 GLN B CA 1 ATOM 2945 C C . GLN B 2 221 ? 18.172 -25.797 69.794 1.00 81.63 ? 191 GLN B C 1 ATOM 2946 O O . GLN B 2 221 ? 17.482 -26.671 70.326 1.00 82.32 ? 191 GLN B O 1 ATOM 2947 C CB . GLN B 2 221 ? 17.235 -24.885 67.650 1.00 76.73 ? 191 GLN B CB 1 ATOM 2948 C CG . GLN B 2 221 ? 17.336 -24.723 66.134 1.00 90.80 ? 191 GLN B CG 1 ATOM 2949 C CD . GLN B 2 221 ? 16.064 -24.169 65.541 1.00 110.15 ? 191 GLN B CD 1 ATOM 2950 O OE1 . GLN B 2 221 ? 15.980 -22.992 65.180 1.00 105.73 ? 191 GLN B OE1 1 ATOM 2951 N NE2 . GLN B 2 221 ? 15.043 -25.007 65.421 1.00 102.56 ? 191 GLN B NE2 1 ATOM 2952 N N . SER B 2 222 ? 18.807 -24.819 70.484 1.00 78.82 ? 192 SER B N 1 ATOM 2953 C CA . SER B 2 222 ? 18.815 -24.623 71.944 1.00 106.58 ? 192 SER B CA 1 ATOM 2954 C C . SER B 2 222 ? 19.397 -25.851 72.679 1.00 136.94 ? 192 SER B C 1 ATOM 2955 O O . SER B 2 222 ? 18.701 -26.829 72.955 1.00 98.59 ? 192 SER B O 1 ATOM 2956 C CB . SER B 2 222 ? 17.421 -24.273 72.469 1.00 111.25 ? 192 SER B CB 1 ATOM 2957 O OG . SER B 2 222 ? 17.414 -24.088 73.875 1.00 121.79 ? 192 SER B OG 1 ATOM 2958 N N . ASP C 1 2 ? 8.820 -18.277 -92.709 1.00 54.43 ? 0 ASP C N 1 ATOM 2959 C CA . ASP C 1 2 ? 9.916 -17.358 -92.402 1.00 53.26 ? 0 ASP C CA 1 ATOM 2960 C C . ASP C 1 2 ? 11.285 -18.068 -92.491 1.00 54.81 ? 0 ASP C C 1 ATOM 2961 O O . ASP C 1 2 ? 11.422 -19.217 -92.049 1.00 55.18 ? 0 ASP C O 1 ATOM 2962 C CB . ASP C 1 2 ? 9.716 -16.728 -91.015 1.00 56.13 ? 0 ASP C CB 1 ATOM 2963 C CG . ASP C 1 2 ? 9.824 -15.215 -91.021 1.00 69.11 ? 0 ASP C CG 1 ATOM 2964 O OD1 . ASP C 1 2 ? 8.864 -14.552 -91.479 1.00 69.77 ? 0 ASP C OD1 1 ATOM 2965 O OD2 . ASP C 1 2 ? 10.860 -14.694 -90.560 1.00 76.47 -1 0 ASP C OD2 1 ATOM 2966 N N . ILE C 1 3 ? 12.296 -17.372 -93.060 1.00 48.29 ? 1 ILE C N 1 ATOM 2967 C CA . ILE C 1 3 ? 13.636 -17.932 -93.276 1.00 46.57 ? 1 ILE C CA 1 ATOM 2968 C C . ILE C 1 3 ? 14.514 -17.784 -92.005 1.00 48.69 ? 1 ILE C C 1 ATOM 2969 O O . ILE C 1 3 ? 14.587 -16.703 -91.413 1.00 48.24 ? 1 ILE C O 1 ATOM 2970 C CB . ILE C 1 3 ? 14.316 -17.330 -94.546 1.00 47.95 ? 1 ILE C CB 1 ATOM 2971 C CG1 . ILE C 1 3 ? 13.422 -17.517 -95.799 1.00 47.68 ? 1 ILE C CG1 1 ATOM 2972 C CG2 . ILE C 1 3 ? 15.696 -17.959 -94.788 1.00 48.78 ? 1 ILE C CG2 1 ATOM 2973 C CD1 . ILE C 1 3 ? 13.551 -16.472 -96.845 1.00 51.64 ? 1 ILE C CD1 1 ATOM 2974 N N . VAL C 1 4 ? 15.158 -18.904 -91.603 1.00 43.25 ? 2 VAL C N 1 ATOM 2975 C CA . VAL C 1 4 ? 16.075 -19.021 -90.464 1.00 41.97 ? 2 VAL C CA 1 ATOM 2976 C C . VAL C 1 4 ? 17.531 -19.053 -91.008 1.00 41.20 ? 2 VAL C C 1 ATOM 2977 O O . VAL C 1 4 ? 17.877 -19.891 -91.846 1.00 41.81 ? 2 VAL C O 1 ATOM 2978 C CB . VAL C 1 4 ? 15.740 -20.224 -89.512 1.00 47.39 ? 2 VAL C CB 1 ATOM 2979 C CG1 . VAL C 1 4 ? 15.468 -21.524 -90.273 1.00 48.01 ? 2 VAL C CG1 1 ATOM 2980 C CG2 . VAL C 1 4 ? 16.811 -20.427 -88.445 1.00 47.65 ? 2 VAL C CG2 1 ATOM 2981 N N . ALA C 1 5 ? 18.350 -18.099 -90.557 1.00 32.63 ? 3 ALA C N 1 ATOM 2982 C CA . ALA C 1 5 ? 19.745 -17.955 -90.965 1.00 30.25 ? 3 ALA C CA 1 ATOM 2983 C C . ALA C 1 5 ? 20.541 -17.316 -89.854 1.00 31.01 ? 3 ALA C C 1 ATOM 2984 O O . ALA C 1 5 ? 19.953 -16.643 -89.002 1.00 31.26 ? 3 ALA C O 1 ATOM 2985 C CB . ALA C 1 5 ? 19.839 -17.102 -92.229 1.00 29.69 ? 3 ALA C CB 1 ATOM 2986 N N . ASP C 1 6 ? 21.873 -17.506 -89.865 1.00 24.74 ? 4 ASP C N 1 ATOM 2987 C CA . ASP C 1 6 ? 22.774 -16.881 -88.896 1.00 23.50 ? 4 ASP C CA 1 ATOM 2988 C C . ASP C 1 6 ? 22.832 -15.376 -89.135 1.00 24.81 ? 4 ASP C C 1 ATOM 2989 O O . ASP C 1 6 ? 22.848 -14.601 -88.175 1.00 25.35 ? 4 ASP C O 1 ATOM 2990 C CB . ASP C 1 6 ? 24.188 -17.487 -88.980 1.00 25.34 ? 4 ASP C CB 1 ATOM 2991 C CG . ASP C 1 6 ? 24.276 -18.949 -88.561 1.00 35.78 ? 4 ASP C CG 1 ATOM 2992 O OD1 . ASP C 1 6 ? 23.229 -19.526 -88.167 1.00 36.74 ? 4 ASP C OD1 1 ATOM 2993 O OD2 . ASP C 1 6 ? 25.393 -19.512 -88.607 1.00 40.33 -1 4 ASP C OD2 1 ATOM 2994 N N . HIS C 1 7 ? 22.863 -14.966 -90.412 1.00 18.30 ? 5 HIS C N 1 ATOM 2995 C CA . HIS C 1 7 ? 22.940 -13.568 -90.791 1.00 16.64 ? 5 HIS C CA 1 ATOM 2996 C C . HIS C 1 7 ? 21.985 -13.262 -91.907 1.00 19.67 ? 5 HIS C C 1 ATOM 2997 O O . HIS C 1 7 ? 21.819 -14.069 -92.815 1.00 19.82 ? 5 HIS C O 1 ATOM 2998 C CB . HIS C 1 7 ? 24.368 -13.181 -91.205 1.00 16.80 ? 5 HIS C CB 1 ATOM 2999 C CG . HIS C 1 7 ? 25.380 -13.414 -90.130 1.00 20.59 ? 5 HIS C CG 1 ATOM 3000 N ND1 . HIS C 1 7 ? 25.334 -12.721 -88.931 1.00 22.66 ? 5 HIS C ND1 1 ATOM 3001 C CD2 . HIS C 1 7 ? 26.406 -14.294 -90.087 1.00 22.60 ? 5 HIS C CD2 1 ATOM 3002 C CE1 . HIS C 1 7 ? 26.344 -13.177 -88.210 1.00 22.69 ? 5 HIS C CE1 1 ATOM 3003 N NE2 . HIS C 1 7 ? 27.018 -14.127 -88.864 1.00 23.14 ? 5 HIS C NE2 1 ATOM 3004 N N . VAL C 1 8 ? 21.351 -12.082 -91.835 1.00 15.28 ? 6 VAL C N 1 ATOM 3005 C CA . VAL C 1 8 ? 20.422 -11.594 -92.847 1.00 14.62 ? 6 VAL C CA 1 ATOM 3006 C C . VAL C 1 8 ? 20.918 -10.231 -93.318 1.00 15.78 ? 6 VAL C C 1 ATOM 3007 O O . VAL C 1 8 ? 21.127 -9.327 -92.503 1.00 15.39 ? 6 VAL C O 1 ATOM 3008 C CB . VAL C 1 8 ? 18.939 -11.548 -92.388 1.00 18.43 ? 6 VAL C CB 1 ATOM 3009 C CG1 . VAL C 1 8 ? 18.031 -11.141 -93.545 1.00 17.65 ? 6 VAL C CG1 1 ATOM 3010 C CG2 . VAL C 1 8 ? 18.487 -12.889 -91.795 1.00 19.15 ? 6 VAL C CG2 1 ATOM 3011 N N . ALA C 1 9 ? 21.131 -10.097 -94.635 1.00 11.74 ? 7 ALA C N 1 ATOM 3012 C CA . ALA C 1 9 ? 21.594 -8.847 -95.207 1.00 10.60 ? 7 ALA C CA 1 ATOM 3013 C C . ALA C 1 9 ? 20.698 -8.384 -96.332 1.00 11.16 ? 7 ALA C C 1 ATOM 3014 O O . ALA C 1 9 ? 20.130 -9.209 -97.040 1.00 11.34 ? 7 ALA C O 1 ATOM 3015 C CB . ALA C 1 9 ? 23.015 -9.003 -95.711 1.00 11.15 ? 7 ALA C CB 1 ATOM 3016 N N . SER C 1 10 ? 20.559 -7.062 -96.476 1.00 7.87 ? 8 SER C N 1 ATOM 3017 C CA . SER C 1 10 ? 19.810 -6.443 -97.563 1.00 7.60 ? 8 SER C CA 1 ATOM 3018 C C . SER C 1 10 ? 20.769 -5.596 -98.379 1.00 9.42 ? 8 SER C C 1 ATOM 3019 O O . SER C 1 10 ? 21.221 -4.563 -97.895 1.00 9.28 ? 8 SER C O 1 ATOM 3020 C CB . SER C 1 10 ? 18.638 -5.616 -97.040 1.00 8.99 ? 8 SER C CB 1 ATOM 3021 O OG . SER C 1 10 ? 17.591 -6.437 -96.556 1.00 15.05 ? 8 SER C OG 1 ATOM 3022 N N . TYR C 1 11 ? 21.076 -6.021 -99.591 1.00 7.56 ? 9 TYR C N 1 ATOM 3023 C CA . TYR C 1 11 ? 21.986 -5.336 -100.484 1.00 7.44 ? 9 TYR C CA 1 ATOM 3024 C C . TYR C 1 11 ? 21.360 -4.929 -101.845 1.00 8.64 ? 9 TYR C C 1 ATOM 3025 O O . TYR C 1 11 ? 21.711 -5.434 -102.861 1.00 7.92 ? 9 TYR C O 1 ATOM 3026 C CB . TYR C 1 11 ? 23.247 -6.152 -100.755 1.00 7.95 ? 9 TYR C CB 1 ATOM 3027 C CG . TYR C 1 11 ? 24.030 -6.775 -99.632 1.00 8.55 ? 9 TYR C CG 1 ATOM 3028 C CD1 . TYR C 1 11 ? 24.549 -6.032 -98.601 1.00 9.74 ? 9 TYR C CD1 1 ATOM 3029 C CD2 . TYR C 1 11 ? 24.306 -8.125 -99.656 1.00 8.65 ? 9 TYR C CD2 1 ATOM 3030 C CE1 . TYR C 1 11 ? 25.288 -6.622 -97.617 1.00 10.05 ? 9 TYR C CE1 1 ATOM 3031 C CE2 . TYR C 1 11 ? 25.036 -8.714 -98.684 1.00 9.05 ? 9 TYR C CE2 1 ATOM 3032 C CZ . TYR C 1 11 ? 25.535 -7.958 -97.670 1.00 15.49 ? 9 TYR C CZ 1 ATOM 3033 O OH . TYR C 1 11 ? 26.245 -8.531 -96.709 1.00 17.39 ? 9 TYR C OH 1 ATOM 3034 N N . GLY C 1 12 A 20.425 -3.999 -101.854 1.00 8.18 ? 9 GLY C N 1 ATOM 3035 C CA . GLY C 1 12 A 19.937 -3.346 -100.651 1.00 8.43 ? 9 GLY C CA 1 ATOM 3036 C C . GLY C 1 12 A 18.443 -3.187 -100.567 1.00 12.46 ? 9 GLY C C 1 ATOM 3037 O O . GLY C 1 12 A 17.686 -3.885 -101.245 1.00 12.56 ? 9 GLY C O 1 ATOM 3038 N N . VAL C 1 13 ? 18.030 -2.253 -99.700 1.00 11.00 ? 10 VAL C N 1 ATOM 3039 C CA . VAL C 1 13 ? 16.645 -1.836 -99.518 1.00 11.04 ? 10 VAL C CA 1 ATOM 3040 C C . VAL C 1 13 ? 16.449 -0.664 -100.493 1.00 13.72 ? 10 VAL C C 1 ATOM 3041 O O . VAL C 1 13 ? 17.147 0.350 -100.398 1.00 13.12 ? 10 VAL C O 1 ATOM 3042 C CB . VAL C 1 13 ? 16.337 -1.459 -98.042 1.00 13.66 ? 10 VAL C CB 1 ATOM 3043 C CG1 . VAL C 1 13 ? 14.901 -0.949 -97.883 1.00 13.68 ? 10 VAL C CG1 1 ATOM 3044 C CG2 . VAL C 1 13 ? 16.614 -2.632 -97.100 1.00 13.28 ? 10 VAL C CG2 1 ATOM 3045 N N . ASN C 1 14 ? 15.565 -0.851 -101.480 1.00 11.24 ? 11 ASN C N 1 ATOM 3046 C CA . ASN C 1 14 ? 15.292 0.169 -102.478 1.00 10.95 ? 11 ASN C CA 1 ATOM 3047 C C . ASN C 1 14 ? 13.898 0.624 -102.281 1.00 13.56 ? 11 ASN C C 1 ATOM 3048 O O . ASN C 1 14 ? 12.984 -0.194 -102.291 1.00 14.98 ? 11 ASN C O 1 ATOM 3049 C CB . ASN C 1 14 ? 15.486 -0.356 -103.900 1.00 11.56 ? 11 ASN C CB 1 ATOM 3050 C CG . ASN C 1 14 ? 16.839 -0.906 -104.251 1.00 18.89 ? 11 ASN C CG 1 ATOM 3051 O OD1 . ASN C 1 14 ? 17.454 -0.461 -105.209 1.00 19.22 ? 11 ASN C OD1 1 ATOM 3052 N ND2 . ASN C 1 14 ? 17.261 -1.984 -103.606 1.00 10.60 ? 11 ASN C ND2 1 ATOM 3053 N N . LEU C 1 15 ? 13.717 1.913 -102.076 1.00 10.99 ? 12 LEU C N 1 ATOM 3054 C CA . LEU C 1 15 ? 12.391 2.451 -101.872 1.00 10.98 ? 12 LEU C CA 1 ATOM 3055 C C . LEU C 1 15 ? 12.116 3.585 -102.853 1.00 12.89 ? 12 LEU C C 1 ATOM 3056 O O . LEU C 1 15 ? 12.971 4.444 -103.060 1.00 12.75 ? 12 LEU C O 1 ATOM 3057 C CB . LEU C 1 15 ? 12.282 2.944 -100.411 1.00 11.48 ? 12 LEU C CB 1 ATOM 3058 C CG . LEU C 1 15 ? 11.086 3.828 -100.063 1.00 16.88 ? 12 LEU C CG 1 ATOM 3059 C CD1 . LEU C 1 15 ? 9.817 3.002 -99.941 1.00 16.89 ? 12 LEU C CD1 1 ATOM 3060 C CD2 . LEU C 1 15 ? 11.363 4.641 -98.808 1.00 20.31 ? 12 LEU C CD2 1 ATOM 3061 N N . TYR C 1 16 ? 10.921 3.595 -103.439 1.00 10.17 ? 13 TYR C N 1 ATOM 3062 C CA . TYR C 1 16 ? 10.495 4.709 -104.284 1.00 10.76 ? 13 TYR C CA 1 ATOM 3063 C C . TYR C 1 16 ? 8.998 4.967 -104.050 1.00 12.51 ? 13 TYR C C 1 ATOM 3064 O O . TYR C 1 16 ? 8.196 4.041 -104.128 1.00 12.20 ? 13 TYR C O 1 ATOM 3065 C CB . TYR C 1 16 ? 10.825 4.492 -105.776 1.00 11.64 ? 13 TYR C CB 1 ATOM 3066 C CG . TYR C 1 16 ? 10.470 5.691 -106.630 1.00 13.81 ? 13 TYR C CG 1 ATOM 3067 C CD1 . TYR C 1 16 ? 11.322 6.790 -106.716 1.00 15.68 ? 13 TYR C CD1 1 ATOM 3068 C CD2 . TYR C 1 16 ? 9.249 5.758 -107.301 1.00 14.82 ? 13 TYR C CD2 1 ATOM 3069 C CE1 . TYR C 1 16 ? 10.980 7.915 -107.463 1.00 16.78 ? 13 TYR C CE1 1 ATOM 3070 C CE2 . TYR C 1 16 ? 8.897 6.880 -108.055 1.00 16.52 ? 13 TYR C CE2 1 ATOM 3071 C CZ . TYR C 1 16 ? 9.775 7.946 -108.147 1.00 23.53 ? 13 TYR C CZ 1 ATOM 3072 O OH . TYR C 1 16 ? 9.442 9.033 -108.912 1.00 28.97 ? 13 TYR C OH 1 ATOM 3073 N N . GLN C 1 17 ? 8.633 6.212 -103.716 1.00 10.02 ? 14 GLN C N 1 ATOM 3074 C CA . GLN C 1 17 ? 7.239 6.559 -103.483 1.00 10.15 ? 14 GLN C CA 1 ATOM 3075 C C . GLN C 1 17 ? 6.864 7.821 -104.271 1.00 13.67 ? 14 GLN C C 1 ATOM 3076 O O . GLN C 1 17 ? 7.722 8.663 -104.526 1.00 14.47 ? 14 GLN C O 1 ATOM 3077 C CB . GLN C 1 17 ? 6.924 6.680 -101.975 1.00 10.74 ? 14 GLN C CB 1 ATOM 3078 C CG . GLN C 1 17 ? 7.660 7.782 -101.196 1.00 20.00 ? 14 GLN C CG 1 ATOM 3079 C CD . GLN C 1 17 ? 7.551 7.582 -99.703 1.00 26.58 ? 14 GLN C CD 1 ATOM 3080 O OE1 . GLN C 1 17 ? 6.536 7.134 -99.189 1.00 22.99 ? 14 GLN C OE1 1 ATOM 3081 N NE2 . GLN C 1 17 ? 8.604 7.892 -98.965 1.00 16.19 ? 14 GLN C NE2 1 ATOM 3082 N N . SER C 1 18 ? 5.612 7.901 -104.642 1.00 12.19 ? 15 SER C N 1 ATOM 3083 C CA . SER C 1 18 ? 5.074 8.997 -105.406 1.00 13.47 ? 15 SER C CA 1 ATOM 3084 C C . SER C 1 18 ? 4.961 10.359 -104.683 1.00 19.53 ? 15 SER C C 1 ATOM 3085 O O . SER C 1 18 ? 5.011 11.378 -105.303 1.00 19.42 ? 15 SER C O 1 ATOM 3086 C CB . SER C 1 18 ? 3.762 8.601 -106.059 1.00 15.15 ? 15 SER C CB 1 ATOM 3087 O OG . SER C 1 18 ? 2.871 8.120 -105.135 1.00 22.99 ? 15 SER C OG 1 ATOM 3088 N N . TYR C 1 19 ? 4.852 10.326 -103.373 1.00 17.40 ? 16 TYR C N 1 ATOM 3089 C CA . TYR C 1 19 ? 4.738 11.499 -102.577 1.00 18.73 ? 16 TYR C CA 1 ATOM 3090 C C . TYR C 1 19 ? 6.117 12.062 -102.433 1.00 23.85 ? 16 TYR C C 1 ATOM 3091 O O . TYR C 1 19 ? 6.984 11.474 -101.829 1.00 22.81 ? 16 TYR C O 1 ATOM 3092 C CB . TYR C 1 19 ? 4.172 11.154 -101.207 1.00 20.23 ? 16 TYR C CB 1 ATOM 3093 C CG . TYR C 1 19 ? 4.132 12.296 -100.282 1.00 23.67 ? 16 TYR C CG 1 ATOM 3094 C CD1 . TYR C 1 19 ? 3.097 13.182 -100.322 1.00 26.85 ? 16 TYR C CD1 1 ATOM 3095 C CD2 . TYR C 1 19 ? 5.141 12.514 -99.379 1.00 24.95 ? 16 TYR C CD2 1 ATOM 3096 C CE1 . TYR C 1 19 ? 3.055 14.250 -99.491 1.00 28.88 ? 16 TYR C CE1 1 ATOM 3097 C CE2 . TYR C 1 19 ? 5.112 13.589 -98.550 1.00 27.43 ? 16 TYR C CE2 1 ATOM 3098 C CZ . TYR C 1 19 ? 4.052 14.453 -98.620 1.00 35.54 ? 16 TYR C CZ 1 ATOM 3099 O OH . TYR C 1 19 ? 3.972 15.522 -97.816 1.00 38.37 ? 16 TYR C OH 1 ATOM 3100 N N . GLY C 1 20 ? 6.274 13.246 -102.985 1.00 22.56 ? 17 GLY C N 1 ATOM 3101 C CA . GLY C 1 20 ? 7.559 13.855 -103.139 1.00 22.53 ? 17 GLY C CA 1 ATOM 3102 C C . GLY C 1 20 ? 7.703 14.305 -104.557 1.00 26.69 ? 17 GLY C C 1 ATOM 3103 O O . GLY C 1 20 ? 7.579 15.455 -104.773 1.00 28.09 ? 17 GLY C O 1 ATOM 3104 N N . PRO C 1 21 ? 7.963 13.397 -105.604 1.00 22.33 ? 18 PRO C N 1 ATOM 3105 C CA . PRO C 1 21 ? 8.261 12.012 -105.189 1.00 20.81 ? 18 PRO C CA 1 ATOM 3106 C C . PRO C 1 21 ? 9.594 11.833 -104.510 1.00 23.63 ? 18 PRO C C 1 ATOM 3107 O O . PRO C 1 21 ? 10.411 12.708 -104.553 1.00 24.36 ? 18 PRO C O 1 ATOM 3108 C CB . PRO C 1 21 ? 8.257 11.236 -106.485 1.00 21.71 ? 18 PRO C CB 1 ATOM 3109 C CG . PRO C 1 21 ? 8.703 12.167 -107.477 1.00 27.06 ? 18 PRO C CG 1 ATOM 3110 C CD . PRO C 1 21 ? 7.913 13.364 -107.147 1.00 23.80 ? 18 PRO C CD 1 ATOM 3111 N N . SER C 1 22 ? 9.767 10.719 -103.828 1.00 18.19 ? 19 SER C N 1 ATOM 3112 C CA . SER C 1 22 ? 10.975 10.437 -103.106 1.00 17.10 ? 19 SER C CA 1 ATOM 3113 C C . SER C 1 22 ? 11.405 8.957 -103.055 1.00 16.81 ? 19 SER C C 1 ATOM 3114 O O . SER C 1 22 ? 10.634 8.072 -103.285 1.00 15.33 ? 19 SER C O 1 ATOM 3115 C CB . SER C 1 22 ? 10.892 11.046 -101.708 1.00 22.24 ? 19 SER C CB 1 ATOM 3116 O OG . SER C 1 22 ? 9.744 10.667 -101.007 1.00 32.70 ? 19 SER C OG 1 ATOM 3117 N N . GLY C 1 23 ? 12.671 8.747 -102.704 1.00 13.64 ? 20 GLY C N 1 ATOM 3118 C CA . GLY C 1 23 ? 13.236 7.412 -102.620 1.00 11.64 ? 20 GLY C CA 1 ATOM 3119 C C . GLY C 1 23 ? 14.310 7.263 -101.571 1.00 12.55 ? 20 GLY C C 1 ATOM 3120 O O . GLY C 1 23 ? 14.749 8.252 -100.986 1.00 13.71 ? 20 GLY C O 1 ATOM 3121 N N . GLN C 1 24 ? 14.752 6.009 -101.363 1.00 8.86 ? 21 GLN C N 1 ATOM 3122 C CA . GLN C 1 24 ? 15.799 5.628 -100.419 1.00 8.26 ? 21 GLN C CA 1 ATOM 3123 C C . GLN C 1 24 ? 16.614 4.461 -100.949 1.00 9.24 ? 21 GLN C C 1 ATOM 3124 O O . GLN C 1 24 ? 16.100 3.584 -101.643 1.00 8.79 ? 21 GLN C O 1 ATOM 3125 C CB . GLN C 1 24 ? 15.204 5.266 -99.036 1.00 8.36 ? 21 GLN C CB 1 ATOM 3126 C CG . GLN C 1 24 ? 16.228 5.284 -97.900 1.00 9.81 ? 21 GLN C CG 1 ATOM 3127 C CD . GLN C 1 24 ? 15.657 4.883 -96.566 1.00 24.31 ? 21 GLN C CD 1 ATOM 3128 O OE1 . GLN C 1 24 ? 15.203 5.715 -95.777 1.00 17.12 ? 21 GLN C OE1 1 ATOM 3129 N NE2 . GLN C 1 24 ? 15.722 3.604 -96.257 1.00 18.31 ? 21 GLN C NE2 1 ATOM 3130 N N . TYR C 1 25 ? 17.912 4.481 -100.639 1.00 8.20 ? 22 TYR C N 1 ATOM 3131 C CA . TYR C 1 25 ? 18.830 3.400 -100.948 1.00 7.62 ? 22 TYR C CA 1 ATOM 3132 C C . TYR C 1 25 ? 19.736 3.215 -99.767 1.00 9.18 ? 22 TYR C C 1 ATOM 3133 O O . TYR C 1 25 ? 20.416 4.148 -99.336 1.00 9.47 ? 22 TYR C O 1 ATOM 3134 C CB . TYR C 1 25 ? 19.630 3.599 -102.247 1.00 7.98 ? 22 TYR C CB 1 ATOM 3135 C CG . TYR C 1 25 ? 20.336 2.316 -102.643 1.00 8.41 ? 22 TYR C CG 1 ATOM 3136 C CD1 . TYR C 1 25 ? 21.577 1.979 -102.095 1.00 9.05 ? 22 TYR C CD1 1 ATOM 3137 C CD2 . TYR C 1 25 ? 19.729 1.399 -103.499 1.00 8.43 ? 22 TYR C CD2 1 ATOM 3138 C CE1 . TYR C 1 25 ? 22.203 0.777 -102.411 1.00 9.32 ? 22 TYR C CE1 1 ATOM 3139 C CE2 . TYR C 1 25 ? 20.354 0.196 -103.830 1.00 8.56 ? 22 TYR C CE2 1 ATOM 3140 C CZ . TYR C 1 25 ? 21.592 -0.107 -103.288 1.00 14.88 ? 22 TYR C CZ 1 ATOM 3141 O OH . TYR C 1 25 ? 22.186 -1.309 -103.585 1.00 16.98 ? 22 TYR C OH 1 ATOM 3142 N N . SER C 1 26 ? 19.745 1.998 -99.238 1.00 7.77 ? 23 SER C N 1 ATOM 3143 C CA . SER C 1 26 ? 20.570 1.663 -98.090 1.00 7.67 ? 23 SER C CA 1 ATOM 3144 C C . SER C 1 26 ? 20.966 0.183 -98.112 1.00 8.92 ? 23 SER C C 1 ATOM 3145 O O . SER C 1 26 ? 20.310 -0.614 -98.786 1.00 8.81 ? 23 SER C O 1 ATOM 3146 C CB . SER C 1 26 ? 19.822 2.002 -96.798 1.00 8.60 ? 23 SER C CB 1 ATOM 3147 O OG . SER C 1 26 ? 18.647 1.221 -96.661 1.00 10.59 ? 23 SER C OG 1 ATOM 3148 N N . HIS C 1 27 ? 22.043 -0.180 -97.378 1.00 7.82 ? 24 HIS C N 1 ATOM 3149 C CA . HIS C 1 27 ? 22.430 -1.579 -97.196 1.00 7.36 ? 24 HIS C CA 1 ATOM 3150 C C . HIS C 1 27 ? 22.288 -1.930 -95.733 1.00 10.23 ? 24 HIS C C 1 ATOM 3151 O O . HIS C 1 27 ? 22.597 -1.110 -94.866 1.00 10.61 ? 24 HIS C O 1 ATOM 3152 C CB . HIS C 1 27 ? 23.825 -1.914 -97.736 1.00 7.39 ? 24 HIS C CB 1 ATOM 3153 C CG . HIS C 1 27 ? 23.854 -2.171 -99.221 1.00 8.29 ? 24 HIS C CG 1 ATOM 3154 N ND1 . HIS C 1 27 ? 24.948 -2.764 -99.829 1.00 8.81 ? 24 HIS C ND1 1 ATOM 3155 C CD2 . HIS C 1 27 ? 22.959 -1.840 -100.182 1.00 8.67 ? 24 HIS C CD2 1 ATOM 3156 C CE1 . HIS C 1 27 ? 24.679 -2.787 -101.126 1.00 8.46 ? 24 HIS C CE1 1 ATOM 3157 N NE2 . HIS C 1 27 ? 23.490 -2.263 -101.384 1.00 8.55 ? 24 HIS C NE2 1 ATOM 3158 N N . GLU C 1 28 ? 21.731 -3.120 -95.457 1.00 8.27 ? 25 GLU C N 1 ATOM 3159 C CA . GLU C 1 28 ? 21.479 -3.571 -94.092 1.00 8.45 ? 25 GLU C CA 1 ATOM 3160 C C . GLU C 1 28 ? 22.150 -4.912 -93.805 1.00 11.44 ? 25 GLU C C 1 ATOM 3161 O O . GLU C 1 28 ? 22.236 -5.757 -94.691 1.00 10.55 ? 25 GLU C O 1 ATOM 3162 C CB . GLU C 1 28 ? 19.961 -3.693 -93.827 1.00 9.36 ? 25 GLU C CB 1 ATOM 3163 C CG . GLU C 1 28 ? 19.208 -2.375 -93.697 1.00 15.89 ? 25 GLU C CG 1 ATOM 3164 C CD . GLU C 1 28 ? 17.700 -2.486 -93.520 1.00 31.82 ? 25 GLU C CD 1 ATOM 3165 O OE1 . GLU C 1 28 ? 17.203 -3.592 -93.204 1.00 29.95 ? 25 GLU C OE1 1 ATOM 3166 O OE2 . GLU C 1 28 ? 17.012 -1.453 -93.682 1.00 18.25 -1 25 GLU C OE2 1 ATOM 3167 N N . PHE C 1 29 ? 22.600 -5.095 -92.581 1.00 9.65 ? 26 PHE C N 1 ATOM 3168 C CA . PHE C 1 29 ? 23.147 -6.343 -92.116 1.00 9.62 ? 26 PHE C CA 1 ATOM 3169 C C . PHE C 1 29 ? 22.757 -6.575 -90.664 1.00 14.07 ? 26 PHE C C 1 ATOM 3170 O O . PHE C 1 29 ? 23.039 -5.787 -89.831 1.00 13.50 ? 26 PHE C O 1 ATOM 3171 C CB . PHE C 1 29 ? 24.652 -6.401 -92.317 1.00 10.53 ? 26 PHE C CB 1 ATOM 3172 C CG . PHE C 1 29 ? 25.262 -7.756 -92.108 1.00 11.27 ? 26 PHE C CG 1 ATOM 3173 C CD1 . PHE C 1 29 ? 25.708 -8.151 -90.870 1.00 13.42 ? 26 PHE C CD1 1 ATOM 3174 C CD2 . PHE C 1 29 ? 25.423 -8.605 -93.149 1.00 11.85 ? 26 PHE C CD2 1 ATOM 3175 C CE1 . PHE C 1 29 ? 26.275 -9.370 -90.676 1.00 13.83 ? 26 PHE C CE1 1 ATOM 3176 C CE2 . PHE C 1 29 ? 26.003 -9.823 -92.969 1.00 13.81 ? 26 PHE C CE2 1 ATOM 3177 C CZ . PHE C 1 29 ? 26.419 -10.207 -91.727 1.00 13.02 ? 26 PHE C CZ 1 ATOM 3178 N N . ASP C 1 30 ? 22.048 -7.673 -90.435 1.00 13.12 ? 27 ASP C N 1 ATOM 3179 C CA . ASP C 1 30 ? 21.501 -8.048 -89.128 1.00 13.74 ? 27 ASP C CA 1 ATOM 3180 C C . ASP C 1 30 ? 20.697 -6.890 -88.466 1.00 17.93 ? 27 ASP C C 1 ATOM 3181 O O . ASP C 1 30 ? 20.871 -6.599 -87.279 1.00 18.39 ? 27 ASP C O 1 ATOM 3182 C CB . ASP C 1 30 ? 22.607 -8.590 -88.204 1.00 15.38 ? 27 ASP C CB 1 ATOM 3183 C CG . ASP C 1 30 ? 23.169 -9.928 -88.654 1.00 25.25 ? 27 ASP C CG 1 ATOM 3184 O OD1 . ASP C 1 30 ? 22.563 -10.561 -89.546 1.00 25.59 ? 27 ASP C OD1 1 ATOM 3185 O OD2 . ASP C 1 30 ? 24.197 -10.356 -88.095 1.00 33.57 -1 27 ASP C OD2 1 ATOM 3186 N N . GLY C 1 31 ? 19.812 -6.275 -89.253 1.00 14.12 ? 28 GLY C N 1 ATOM 3187 C CA . GLY C 1 31 ? 18.911 -5.203 -88.825 1.00 14.23 ? 28 GLY C CA 1 ATOM 3188 C C . GLY C 1 31 ? 19.510 -3.824 -88.616 1.00 18.99 ? 28 GLY C C 1 ATOM 3189 O O . GLY C 1 31 ? 18.792 -2.897 -88.220 1.00 21.09 ? 28 GLY C O 1 ATOM 3190 N N . ASP C 1 32 ? 20.814 -3.664 -88.885 1.00 13.30 ? 29 ASP C N 1 ATOM 3191 C CA . ASP C 1 32 ? 21.497 -2.378 -88.772 1.00 13.22 ? 29 ASP C CA 1 ATOM 3192 C C . ASP C 1 32 ? 21.897 -1.878 -90.154 1.00 16.68 ? 29 ASP C C 1 ATOM 3193 O O . ASP C 1 32 ? 22.178 -2.668 -91.052 1.00 15.71 ? 29 ASP C O 1 ATOM 3194 C CB . ASP C 1 32 ? 22.715 -2.465 -87.845 1.00 15.16 ? 29 ASP C CB 1 ATOM 3195 C CG . ASP C 1 32 ? 22.374 -2.679 -86.385 1.00 21.91 ? 29 ASP C CG 1 ATOM 3196 O OD1 . ASP C 1 32 ? 21.466 -1.986 -85.876 1.00 22.68 ? 29 ASP C OD1 1 ATOM 3197 O OD2 . ASP C 1 32 ? 23.010 -3.540 -85.751 1.00 26.06 -1 29 ASP C OD2 1 ATOM 3198 N N . GLU C 1 33 ? 21.920 -0.564 -90.311 1.00 14.05 ? 30 GLU C N 1 ATOM 3199 C CA . GLU C 1 33 ? 22.227 0.122 -91.560 1.00 14.24 ? 30 GLU C CA 1 ATOM 3200 C C . GLU C 1 33 ? 23.724 0.316 -91.741 1.00 17.25 ? 30 GLU C C 1 ATOM 3201 O O . GLU C 1 33 ? 24.368 0.949 -90.911 1.00 18.75 ? 30 GLU C O 1 ATOM 3202 C CB . GLU C 1 33 ? 21.495 1.467 -91.557 1.00 16.08 ? 30 GLU C CB 1 ATOM 3203 C CG . GLU C 1 33 ? 21.862 2.455 -92.648 1.00 27.05 ? 30 GLU C CG 1 ATOM 3204 C CD . GLU C 1 33 ? 21.099 3.762 -92.562 1.00 50.70 ? 30 GLU C CD 1 ATOM 3205 O OE1 . GLU C 1 33 ? 20.707 4.184 -91.446 1.00 34.79 ? 30 GLU C OE1 1 ATOM 3206 O OE2 . GLU C 1 33 ? 20.895 4.370 -93.633 1.00 49.68 -1 30 GLU C OE2 1 ATOM 3207 N N . GLU C 1 34 ? 24.280 -0.226 -92.800 1.00 12.97 ? 31 GLU C N 1 ATOM 3208 C CA . GLU C 1 34 ? 25.661 -0.044 -93.113 1.00 12.46 ? 31 GLU C CA 1 ATOM 3209 C C . GLU C 1 34 ? 25.888 1.306 -93.742 1.00 14.37 ? 31 GLU C C 1 ATOM 3210 O O . GLU C 1 34 ? 26.747 2.015 -93.331 1.00 15.49 ? 31 GLU C O 1 ATOM 3211 C CB . GLU C 1 34 ? 26.197 -1.158 -93.994 1.00 12.90 ? 31 GLU C CB 1 ATOM 3212 C CG . GLU C 1 34 ? 25.665 -2.525 -93.670 1.00 21.15 ? 31 GLU C CG 1 ATOM 3213 C CD . GLU C 1 34 ? 26.459 -3.632 -94.292 1.00 35.08 ? 31 GLU C CD 1 ATOM 3214 O OE1 . GLU C 1 34 ? 26.643 -3.632 -95.466 1.00 31.15 ? 31 GLU C OE1 1 ATOM 3215 O OE2 . GLU C 1 34 ? 26.871 -4.517 -93.603 1.00 24.87 -1 31 GLU C OE2 1 ATOM 3216 N N . PHE C 1 35 ? 25.076 1.641 -94.712 1.00 10.27 ? 32 PHE C N 1 ATOM 3217 C CA . PHE C 1 35 ? 25.128 2.933 -95.379 1.00 10.15 ? 32 PHE C CA 1 ATOM 3218 C C . PHE C 1 35 ? 23.795 3.252 -96.018 1.00 12.46 ? 32 PHE C C 1 ATOM 3219 O O . PHE C 1 35 ? 22.956 2.364 -96.206 1.00 10.85 ? 32 PHE C O 1 ATOM 3220 C CB . PHE C 1 35 ? 26.247 2.954 -96.465 1.00 11.07 ? 32 PHE C CB 1 ATOM 3221 C CG . PHE C 1 35 ? 26.005 2.139 -97.719 1.00 10.84 ? 32 PHE C CG 1 ATOM 3222 C CD1 . PHE C 1 35 ? 25.138 2.597 -98.716 1.00 12.32 ? 32 PHE C CD1 1 ATOM 3223 C CD2 . PHE C 1 35 ? 26.638 0.922 -97.907 1.00 11.45 ? 32 PHE C CD2 1 ATOM 3224 C CE1 . PHE C 1 35 ? 24.892 1.837 -99.856 1.00 12.30 ? 32 PHE C CE1 1 ATOM 3225 C CE2 . PHE C 1 35 ? 26.436 0.187 -99.075 1.00 13.02 ? 32 PHE C CE2 1 ATOM 3226 C CZ . PHE C 1 35 ? 25.554 0.646 -100.038 1.00 11.83 ? 32 PHE C CZ 1 ATOM 3227 N N . TYR C 1 36 ? 23.651 4.516 -96.429 1.00 11.10 ? 33 TYR C N 1 ATOM 3228 C CA . TYR C 1 36 ? 22.563 5.047 -97.228 1.00 10.47 ? 33 TYR C CA 1 ATOM 3229 C C . TYR C 1 36 ? 23.193 5.928 -98.298 1.00 14.30 ? 33 TYR C C 1 ATOM 3230 O O . TYR C 1 36 ? 24.282 6.454 -98.090 1.00 13.97 ? 33 TYR C O 1 ATOM 3231 C CB . TYR C 1 36 ? 21.502 5.796 -96.398 1.00 11.17 ? 33 TYR C CB 1 ATOM 3232 C CG . TYR C 1 36 ? 21.916 7.160 -95.881 1.00 13.12 ? 33 TYR C CG 1 ATOM 3233 C CD1 . TYR C 1 36 ? 21.760 8.303 -96.665 1.00 14.64 ? 33 TYR C CD1 1 ATOM 3234 C CD2 . TYR C 1 36 ? 22.367 7.324 -94.574 1.00 14.02 ? 33 TYR C CD2 1 ATOM 3235 C CE1 . TYR C 1 36 ? 22.119 9.561 -96.190 1.00 14.95 ? 33 TYR C CE1 1 ATOM 3236 C CE2 . TYR C 1 36 ? 22.717 8.584 -94.084 1.00 15.69 ? 33 TYR C CE2 1 ATOM 3237 C CZ . TYR C 1 36 ? 22.599 9.696 -94.900 1.00 20.39 ? 33 TYR C CZ 1 ATOM 3238 O OH . TYR C 1 36 ? 22.928 10.940 -94.427 1.00 23.26 ? 33 TYR C OH 1 ATOM 3239 N N . VAL C 1 37 ? 22.527 6.076 -99.446 1.00 13.40 ? 34 VAL C N 1 ATOM 3240 C CA . VAL C 1 37 ? 23.036 6.945 -100.502 1.00 14.01 ? 34 VAL C CA 1 ATOM 3241 C C . VAL C 1 37 ? 22.202 8.216 -100.490 1.00 18.97 ? 34 VAL C C 1 ATOM 3242 O O . VAL C 1 37 ? 20.979 8.144 -100.630 1.00 18.73 ? 34 VAL C O 1 ATOM 3243 C CB . VAL C 1 37 ? 23.055 6.261 -101.905 1.00 15.22 ? 34 VAL C CB 1 ATOM 3244 C CG1 . VAL C 1 37 ? 23.375 7.258 -103.017 1.00 15.77 ? 34 VAL C CG1 1 ATOM 3245 C CG2 . VAL C 1 37 ? 24.033 5.094 -101.940 1.00 14.60 ? 34 VAL C CG2 1 ATOM 3246 N N . ASP C 1 38 ? 22.854 9.378 -100.317 1.00 18.90 ? 35 ASP C N 1 ATOM 3247 C CA . ASP C 1 38 ? 22.176 10.670 -100.412 1.00 19.58 ? 35 ASP C CA 1 ATOM 3248 C C . ASP C 1 38 ? 21.939 10.849 -101.890 1.00 21.78 ? 35 ASP C C 1 ATOM 3249 O O . ASP C 1 38 ? 22.885 11.089 -102.635 1.00 22.90 ? 35 ASP C O 1 ATOM 3250 C CB . ASP C 1 38 ? 23.002 11.812 -99.788 1.00 22.20 ? 35 ASP C CB 1 ATOM 3251 C CG . ASP C 1 38 ? 22.319 13.177 -99.775 1.00 32.99 ? 35 ASP C CG 1 ATOM 3252 O OD1 . ASP C 1 38 ? 21.670 13.538 -100.792 1.00 31.84 ? 35 ASP C OD1 1 ATOM 3253 O OD2 . ASP C 1 38 ? 22.526 13.932 -98.802 1.00 42.97 -1 35 ASP C OD2 1 ATOM 3254 N N . LEU C 1 39 ? 20.691 10.621 -102.315 1.00 18.26 ? 36 LEU C N 1 ATOM 3255 C CA . LEU C 1 39 ? 20.281 10.624 -103.714 1.00 17.91 ? 36 LEU C CA 1 ATOM 3256 C C . LEU C 1 39 ? 20.419 11.991 -104.393 1.00 24.42 ? 36 LEU C C 1 ATOM 3257 O O . LEU C 1 39 ? 20.746 12.009 -105.580 1.00 26.08 ? 36 LEU C O 1 ATOM 3258 C CB . LEU C 1 39 ? 18.859 10.066 -103.866 1.00 16.62 ? 36 LEU C CB 1 ATOM 3259 C CG . LEU C 1 39 ? 18.622 8.665 -103.248 1.00 17.84 ? 36 LEU C CG 1 ATOM 3260 C CD1 . LEU C 1 39 ? 17.196 8.226 -103.434 1.00 17.05 ? 36 LEU C CD1 1 ATOM 3261 C CD2 . LEU C 1 39 ? 19.573 7.601 -103.829 1.00 17.99 ? 36 LEU C CD2 1 ATOM 3262 N N . GLU C 1 40 ? 20.242 13.113 -103.663 1.00 23.20 ? 37 GLU C N 1 ATOM 3263 C CA . GLU C 1 40 ? 20.409 14.461 -104.234 1.00 25.42 ? 37 GLU C CA 1 ATOM 3264 C C . GLU C 1 40 ? 21.892 14.805 -104.393 1.00 31.34 ? 37 GLU C C 1 ATOM 3265 O O . GLU C 1 40 ? 22.303 15.216 -105.479 1.00 32.60 ? 37 GLU C O 1 ATOM 3266 C CB . GLU C 1 40 ? 19.704 15.542 -103.383 1.00 27.80 ? 37 GLU C CB 1 ATOM 3267 C CG . GLU C 1 40 ? 18.215 15.706 -103.669 1.00 41.63 ? 37 GLU C CG 1 ATOM 3268 C CD . GLU C 1 40 ? 17.321 14.506 -103.402 1.00 68.58 ? 37 GLU C CD 1 ATOM 3269 O OE1 . GLU C 1 40 ? 16.427 14.244 -104.239 1.00 66.29 ? 37 GLU C OE1 1 ATOM 3270 O OE2 . GLU C 1 40 ? 17.534 13.807 -102.383 1.00 66.52 -1 37 GLU C OE2 1 ATOM 3271 N N . ARG C 1 41 ? 22.690 14.629 -103.318 1.00 27.31 ? 38 ARG C N 1 ATOM 3272 C CA . ARG C 1 41 ? 24.124 14.928 -103.313 1.00 28.08 ? 38 ARG C CA 1 ATOM 3273 C C . ARG C 1 41 ? 24.958 13.912 -104.110 1.00 29.97 ? 38 ARG C C 1 ATOM 3274 O O . ARG C 1 41 ? 26.038 14.286 -104.564 1.00 30.66 ? 38 ARG C O 1 ATOM 3275 C CB . ARG C 1 41 ? 24.663 15.004 -101.875 1.00 30.01 ? 38 ARG C CB 1 ATOM 3276 C CG . ARG C 1 41 ? 24.399 16.332 -101.184 1.00 45.14 ? 38 ARG C CG 1 ATOM 3277 C CD . ARG C 1 41 ? 24.842 16.314 -99.731 1.00 61.56 ? 38 ARG C CD 1 ATOM 3278 N NE . ARG C 1 41 ? 26.300 16.227 -99.587 1.00 75.61 ? 38 ARG C NE 1 ATOM 3279 C CZ . ARG C 1 41 ? 27.103 17.268 -99.380 1.00 92.26 ? 38 ARG C CZ 1 ATOM 3280 N NH1 . ARG C 1 41 ? 26.602 18.495 -99.286 1.00 81.34 1 38 ARG C NH1 1 ATOM 3281 N NH2 . ARG C 1 41 ? 28.412 17.091 -99.260 1.00 79.56 ? 38 ARG C NH2 1 ATOM 3282 N N . LYS C 1 42 ? 24.462 12.652 -104.293 1.00 24.45 ? 39 LYS C N 1 ATOM 3283 C CA . LYS C 1 42 ? 25.137 11.526 -104.989 1.00 23.21 ? 39 LYS C CA 1 ATOM 3284 C C . LYS C 1 42 ? 26.366 11.110 -104.151 1.00 26.03 ? 39 LYS C C 1 ATOM 3285 O O . LYS C 1 42 ? 27.511 11.124 -104.622 1.00 26.32 ? 39 LYS C O 1 ATOM 3286 C CB . LYS C 1 42 ? 25.520 11.847 -106.464 1.00 25.42 ? 39 LYS C CB 1 ATOM 3287 C CG . LYS C 1 42 ? 24.369 12.306 -107.352 1.00 43.45 ? 39 LYS C CG 1 ATOM 3288 C CD . LYS C 1 42 ? 24.798 12.396 -108.815 1.00 54.20 ? 39 LYS C CD 1 ATOM 3289 C CE . LYS C 1 42 ? 23.680 12.884 -109.707 1.00 65.80 ? 39 LYS C CE 1 ATOM 3290 N NZ . LYS C 1 42 ? 24.142 13.093 -111.106 1.00 76.38 1 39 LYS C NZ 1 ATOM 3291 N N . GLU C 1 43 ? 26.105 10.764 -102.884 1.00 22.14 ? 40 GLU C N 1 ATOM 3292 C CA . GLU C 1 43 ? 27.123 10.416 -101.911 1.00 21.45 ? 40 GLU C CA 1 ATOM 3293 C C . GLU C 1 43 ? 26.691 9.221 -101.058 1.00 20.59 ? 40 GLU C C 1 ATOM 3294 O O . GLU C 1 43 ? 25.577 9.203 -100.546 1.00 19.04 ? 40 GLU C O 1 ATOM 3295 C CB . GLU C 1 43 ? 27.390 11.648 -101.020 1.00 24.03 ? 40 GLU C CB 1 ATOM 3296 C CG . GLU C 1 43 ? 28.506 11.473 -99.996 1.00 41.32 ? 40 GLU C CG 1 ATOM 3297 C CD . GLU C 1 43 ? 28.849 12.676 -99.133 1.00 77.99 ? 40 GLU C CD 1 ATOM 3298 O OE1 . GLU C 1 43 ? 29.784 12.551 -98.309 1.00 86.09 ? 40 GLU C OE1 1 ATOM 3299 O OE2 . GLU C 1 43 ? 28.199 13.739 -99.277 1.00 74.33 -1 40 GLU C OE2 1 ATOM 3300 N N . THR C 1 44 ? 27.600 8.256 -100.875 1.00 16.92 ? 41 THR C N 1 ATOM 3301 C CA . THR C 1 44 ? 27.399 7.094 -100.021 1.00 15.20 ? 41 THR C CA 1 ATOM 3302 C C . THR C 1 44 ? 27.774 7.515 -98.588 1.00 18.39 ? 41 THR C C 1 ATOM 3303 O O . THR C 1 44 ? 28.880 7.999 -98.375 1.00 19.24 ? 41 THR C O 1 ATOM 3304 C CB . THR C 1 44 ? 28.226 5.896 -100.541 1.00 17.31 ? 41 THR C CB 1 ATOM 3305 O OG1 . THR C 1 44 ? 27.972 5.688 -101.937 1.00 16.68 ? 41 THR C OG1 1 ATOM 3306 C CG2 . THR C 1 44 ? 27.963 4.617 -99.757 1.00 13.69 ? 41 THR C CG2 1 ATOM 3307 N N . VAL C 1 45 ? 26.846 7.382 -97.625 1.00 15.89 ? 42 VAL C N 1 ATOM 3308 C CA . VAL C 1 45 ? 27.103 7.764 -96.233 1.00 16.45 ? 42 VAL C CA 1 ATOM 3309 C C . VAL C 1 45 ? 27.116 6.497 -95.363 1.00 19.64 ? 42 VAL C C 1 ATOM 3310 O O . VAL C 1 45 ? 26.056 5.975 -95.012 1.00 19.67 ? 42 VAL C O 1 ATOM 3311 C CB . VAL C 1 45 ? 26.107 8.843 -95.697 1.00 19.00 ? 42 VAL C CB 1 ATOM 3312 C CG1 . VAL C 1 45 ? 26.524 9.343 -94.309 1.00 19.45 ? 42 VAL C CG1 1 ATOM 3313 C CG2 . VAL C 1 45 ? 25.970 10.018 -96.675 1.00 19.46 ? 42 VAL C CG2 1 ATOM 3314 N N . TRP C 1 46 ? 28.320 5.996 -95.047 1.00 17.84 ? 43 TRP C N 1 ATOM 3315 C CA . TRP C 1 46 ? 28.529 4.815 -94.197 1.00 17.27 ? 43 TRP C CA 1 ATOM 3316 C C . TRP C 1 46 ? 28.320 5.191 -92.732 1.00 21.76 ? 43 TRP C C 1 ATOM 3317 O O . TRP C 1 46 ? 28.693 6.286 -92.319 1.00 23.07 ? 43 TRP C O 1 ATOM 3318 C CB . TRP C 1 46 ? 29.928 4.215 -94.407 1.00 16.43 ? 43 TRP C CB 1 ATOM 3319 C CG . TRP C 1 46 ? 30.119 3.600 -95.757 1.00 16.34 ? 43 TRP C CG 1 ATOM 3320 C CD1 . TRP C 1 46 ? 30.511 4.238 -96.894 1.00 18.75 ? 43 TRP C CD1 1 ATOM 3321 C CD2 . TRP C 1 46 ? 29.950 2.218 -96.108 1.00 15.27 ? 43 TRP C CD2 1 ATOM 3322 N NE1 . TRP C 1 46 ? 30.586 3.348 -97.935 1.00 17.92 ? 43 TRP C NE1 1 ATOM 3323 C CE2 . TRP C 1 46 ? 30.252 2.097 -97.483 1.00 17.82 ? 43 TRP C CE2 1 ATOM 3324 C CE3 . TRP C 1 46 ? 29.564 1.067 -95.394 1.00 15.24 ? 43 TRP C CE3 1 ATOM 3325 C CZ2 . TRP C 1 46 ? 30.195 0.869 -98.161 1.00 16.44 ? 43 TRP C CZ2 1 ATOM 3326 C CZ3 . TRP C 1 46 ? 29.516 -0.149 -96.060 1.00 15.43 ? 43 TRP C CZ3 1 ATOM 3327 C CH2 . TRP C 1 46 ? 29.813 -0.239 -97.431 1.00 15.82 ? 43 TRP C CH2 1 ATOM 3328 N N . GLN C 1 47 ? 27.737 4.337 -91.930 1.00 18.80 ? 44 GLN C N 1 ATOM 3329 C CA . GLN C 1 47 ? 27.487 4.631 -90.540 1.00 19.73 ? 44 GLN C CA 1 ATOM 3330 C C . GLN C 1 47 ? 28.542 4.254 -89.561 1.00 24.71 ? 44 GLN C C 1 ATOM 3331 O O . GLN C 1 47 ? 28.483 4.644 -88.464 1.00 24.80 ? 44 GLN C O 1 ATOM 3332 C CB . GLN C 1 47 ? 26.179 4.014 -90.125 1.00 20.76 ? 44 GLN C CB 1 ATOM 3333 C CG . GLN C 1 47 ? 25.102 4.235 -91.150 1.00 35.63 ? 44 GLN C CG 1 ATOM 3334 C CD . GLN C 1 47 ? 24.789 5.676 -91.396 1.00 45.83 ? 44 GLN C CD 1 ATOM 3335 O OE1 . GLN C 1 47 ? 24.624 6.417 -90.484 1.00 42.94 ? 44 GLN C OE1 1 ATOM 3336 N NE2 . GLN C 1 47 ? 24.681 6.051 -92.621 1.00 31.47 ? 44 GLN C NE2 1 ATOM 3337 N N . LEU C 1 48 ? 29.525 3.503 -89.987 1.00 22.37 ? 45 LEU C N 1 ATOM 3338 C CA . LEU C 1 48 ? 30.621 3.131 -89.127 1.00 23.12 ? 45 LEU C CA 1 ATOM 3339 C C . LEU C 1 48 ? 31.824 3.638 -89.818 1.00 30.83 ? 45 LEU C C 1 ATOM 3340 O O . LEU C 1 48 ? 31.892 3.616 -90.992 1.00 29.93 ? 45 LEU C O 1 ATOM 3341 C CB . LEU C 1 48 ? 30.719 1.654 -88.814 1.00 21.86 ? 45 LEU C CB 1 ATOM 3342 C CG . LEU C 1 48 ? 29.746 1.121 -87.804 1.00 25.45 ? 45 LEU C CG 1 ATOM 3343 C CD1 . LEU C 1 48 ? 29.958 -0.322 -87.513 1.00 25.02 ? 45 LEU C CD1 1 ATOM 3344 C CD2 . LEU C 1 48 ? 29.718 1.886 -86.548 1.00 28.28 ? 45 LEU C CD2 1 ATOM 3345 N N . PRO C 1 49 ? 32.786 4.172 -88.980 1.00 31.56 ? 46 PRO C N 1 ATOM 3346 C CA . PRO C 1 49 ? 33.949 4.751 -89.659 1.00 32.71 ? 46 PRO C CA 1 ATOM 3347 C C . PRO C 1 49 ? 34.793 3.755 -90.375 1.00 36.87 ? 46 PRO C C 1 ATOM 3348 O O . PRO C 1 49 ? 35.194 3.917 -91.489 1.00 36.05 ? 46 PRO C O 1 ATOM 3349 C CB . PRO C 1 49 ? 34.749 5.375 -88.523 1.00 35.98 ? 46 PRO C CB 1 ATOM 3350 C CG . PRO C 1 49 ? 34.496 4.543 -87.367 1.00 40.15 ? 46 PRO C CG 1 ATOM 3351 C CD . PRO C 1 49 ? 33.061 4.207 -87.469 1.00 34.40 ? 46 PRO C CD 1 ATOM 3352 N N . LEU C 1 50 ? 34.961 2.672 -89.673 1.00 34.07 ? 47 LEU C N 1 ATOM 3353 C CA . LEU C 1 50 ? 35.750 1.574 -90.044 1.00 34.07 ? 47 LEU C CA 1 ATOM 3354 C C . LEU C 1 50 ? 35.344 0.932 -91.337 1.00 35.57 ? 47 LEU C C 1 ATOM 3355 O O . LEU C 1 50 ? 36.169 0.459 -92.018 1.00 35.79 ? 47 LEU C O 1 ATOM 3356 C CB . LEU C 1 50 ? 35.742 0.576 -88.900 1.00 34.80 ? 47 LEU C CB 1 ATOM 3357 C CG . LEU C 1 50 ? 36.913 0.690 -87.937 1.00 41.60 ? 47 LEU C CG 1 ATOM 3358 C CD1 . LEU C 1 50 ? 36.962 -0.506 -87.004 1.00 42.09 ? 47 LEU C CD1 1 ATOM 3359 C CD2 . LEU C 1 50 ? 38.221 0.823 -88.689 1.00 44.25 ? 47 LEU C CD2 1 ATOM 3360 N N . PHE C 1 51 ? 34.076 0.931 -91.660 1.00 29.34 ? 48 PHE C N 1 ATOM 3361 C CA . PHE C 1 51 ? 33.595 0.363 -92.865 1.00 27.56 ? 48 PHE C CA 1 ATOM 3362 C C . PHE C 1 51 ? 34.243 1.005 -94.083 1.00 31.33 ? 48 PHE C C 1 ATOM 3363 O O . PHE C 1 51 ? 34.560 0.340 -95.006 1.00 29.35 ? 48 PHE C O 1 ATOM 3364 C CB . PHE C 1 51 ? 32.093 0.590 -92.964 1.00 28.48 ? 48 PHE C CB 1 ATOM 3365 C CG . PHE C 1 51 ? 31.274 -0.389 -92.220 1.00 29.25 ? 48 PHE C CG 1 ATOM 3366 C CD1 . PHE C 1 51 ? 31.712 -1.634 -92.023 1.00 32.07 ? 48 PHE C CD1 1 ATOM 3367 C CD2 . PHE C 1 51 ? 30.072 -0.053 -91.720 1.00 31.57 ? 48 PHE C CD2 1 ATOM 3368 C CE1 . PHE C 1 51 ? 30.984 -2.532 -91.321 1.00 32.48 ? 48 PHE C CE1 1 ATOM 3369 C CE2 . PHE C 1 51 ? 29.330 -0.962 -91.027 1.00 33.50 ? 48 PHE C CE2 1 ATOM 3370 C CZ . PHE C 1 51 ? 29.793 -2.208 -90.841 1.00 30.91 ? 48 PHE C CZ 1 ATOM 3371 N N . ARG C 1 52 ? 34.445 2.301 -94.070 1.00 30.25 ? 49 ARG C N 1 ATOM 3372 C CA . ARG C 1 52 ? 35.059 3.038 -95.195 1.00 31.61 ? 49 ARG C CA 1 ATOM 3373 C C . ARG C 1 52 ? 36.499 2.647 -95.573 1.00 37.26 ? 49 ARG C C 1 ATOM 3374 O O . ARG C 1 52 ? 36.916 2.757 -96.701 1.00 37.13 ? 49 ARG C O 1 ATOM 3375 C CB . ARG C 1 52 ? 34.896 4.534 -95.031 1.00 33.29 ? 49 ARG C CB 1 ATOM 3376 C CG . ARG C 1 52 ? 33.752 5.090 -95.838 1.00 42.08 ? 49 ARG C CG 1 ATOM 3377 C CD . ARG C 1 52 ? 33.799 6.591 -95.911 1.00 50.20 ? 49 ARG C CD 1 ATOM 3378 N NE . ARG C 1 52 ? 32.696 7.133 -96.678 1.00 58.08 ? 49 ARG C NE 1 ATOM 3379 C CZ . ARG C 1 52 ? 32.697 7.310 -97.983 1.00 70.10 ? 49 ARG C CZ 1 ATOM 3380 N NH1 . ARG C 1 52 ? 33.732 6.991 -98.703 1.00 58.04 1 49 ARG C NH1 1 ATOM 3381 N NH2 . ARG C 1 52 ? 31.658 7.820 -98.576 1.00 53.46 ? 49 ARG C NH2 1 ATOM 3382 N N . ARG C 1 53 ? 37.232 2.174 -94.600 1.00 33.92 ? 50 ARG C N 1 ATOM 3383 C CA . ARG C 1 53 ? 38.546 1.703 -94.826 1.00 34.09 ? 50 ARG C CA 1 ATOM 3384 C C . ARG C 1 53 ? 38.524 0.534 -95.770 1.00 36.12 ? 50 ARG C C 1 ATOM 3385 O O . ARG C 1 53 ? 39.366 0.424 -96.603 1.00 37.42 ? 50 ARG C O 1 ATOM 3386 C CB . ARG C 1 53 ? 39.158 1.307 -93.510 1.00 35.06 ? 50 ARG C CB 1 ATOM 3387 C CG . ARG C 1 53 ? 40.547 0.805 -93.691 1.00 48.25 ? 50 ARG C CG 1 ATOM 3388 C CD . ARG C 1 53 ? 40.988 -0.052 -92.560 1.00 61.17 ? 50 ARG C CD 1 ATOM 3389 N NE . ARG C 1 53 ? 41.059 0.685 -91.320 1.00 72.13 ? 50 ARG C NE 1 ATOM 3390 C CZ . ARG C 1 53 ? 41.750 0.263 -90.280 1.00 86.17 ? 50 ARG C CZ 1 ATOM 3391 N NH1 . ARG C 1 53 ? 42.419 -0.885 -90.354 1.00 70.08 1 50 ARG C NH1 1 ATOM 3392 N NH2 . ARG C 1 53 ? 41.774 0.982 -89.185 1.00 74.16 ? 50 ARG C NH2 1 ATOM 3393 N N . PHE C 1 54 ? 37.566 -0.363 -95.640 1.00 29.26 ? 51 PHE C N 1 ATOM 3394 C CA . PHE C 1 54 ? 37.485 -1.504 -96.526 1.00 27.38 ? 51 PHE C CA 1 ATOM 3395 C C . PHE C 1 54 ? 36.390 -1.573 -97.532 1.00 27.94 ? 51 PHE C C 1 ATOM 3396 O O . PHE C 1 54 ? 36.396 -2.463 -98.340 1.00 27.48 ? 51 PHE C O 1 ATOM 3397 C CB . PHE C 1 54 ? 37.295 -2.739 -95.735 1.00 28.72 ? 51 PHE C CB 1 ATOM 3398 C CG . PHE C 1 54 ? 38.141 -2.838 -94.567 1.00 31.13 ? 51 PHE C CG 1 ATOM 3399 C CD1 . PHE C 1 54 ? 39.305 -3.509 -94.620 1.00 35.19 ? 51 PHE C CD1 1 ATOM 3400 C CD2 . PHE C 1 54 ? 37.755 -2.290 -93.401 1.00 33.26 ? 51 PHE C CD2 1 ATOM 3401 C CE1 . PHE C 1 54 ? 40.084 -3.610 -93.508 1.00 36.94 ? 51 PHE C CE1 1 ATOM 3402 C CE2 . PHE C 1 54 ? 38.526 -2.382 -92.296 1.00 36.71 ? 51 PHE C CE2 1 ATOM 3403 C CZ . PHE C 1 54 ? 39.687 -3.053 -92.347 1.00 35.43 ? 51 PHE C CZ 1 ATOM 3404 N N . ARG C 1 55 ? 35.437 -0.673 -97.469 1.00 21.01 ? 52 ARG C N 1 ATOM 3405 C CA . ARG C 1 55 ? 34.323 -0.748 -98.366 1.00 18.88 ? 52 ARG C CA 1 ATOM 3406 C C . ARG C 1 55 ? 33.975 0.482 -99.122 1.00 19.78 ? 52 ARG C C 1 ATOM 3407 O O . ARG C 1 55 ? 33.937 1.521 -98.571 1.00 19.07 ? 52 ARG C O 1 ATOM 3408 C CB . ARG C 1 55 ? 33.082 -1.237 -97.601 1.00 17.63 ? 52 ARG C CB 1 ATOM 3409 C CG . ARG C 1 55 ? 33.173 -2.582 -96.952 1.00 17.54 ? 52 ARG C CG 1 ATOM 3410 C CD . ARG C 1 55 ? 32.097 -2.786 -95.979 1.00 11.42 ? 52 ARG C CD 1 ATOM 3411 N NE . ARG C 1 55 ? 31.140 -3.671 -96.555 1.00 8.81 ? 52 ARG C NE 1 ATOM 3412 C CZ . ARG C 1 55 ? 30.336 -4.412 -95.853 1.00 15.63 ? 52 ARG C CZ 1 ATOM 3413 N NH1 . ARG C 1 55 ? 30.369 -4.371 -94.558 1.00 5.07 1 52 ARG C NH1 1 ATOM 3414 N NH2 . ARG C 1 55 ? 29.539 -5.212 -96.466 1.00 11.82 ? 52 ARG C NH2 1 ATOM 3415 N N . ARG C 1 56 ? 33.706 0.296 -100.402 1.00 17.05 ? 53 ARG C N 1 ATOM 3416 C CA . ARG C 1 56 ? 33.248 1.358 -101.291 1.00 16.78 ? 53 ARG C CA 1 ATOM 3417 C C . ARG C 1 56 ? 32.005 0.993 -102.132 1.00 17.79 ? 53 ARG C C 1 ATOM 3418 O O . ARG C 1 56 ? 31.948 -0.012 -102.748 1.00 16.64 ? 53 ARG C O 1 ATOM 3419 C CB . ARG C 1 56 ? 34.363 1.860 -102.199 1.00 17.18 ? 53 ARG C CB 1 ATOM 3420 C CG . ARG C 1 56 ? 34.114 3.273 -102.711 1.00 30.36 ? 53 ARG C CG 1 ATOM 3421 C CD . ARG C 1 56 ? 35.143 3.852 -103.692 1.00 41.28 ? 53 ARG C CD 1 ATOM 3422 N NE . ARG C 1 56 ? 34.785 3.761 -105.115 1.00 53.61 ? 53 ARG C NE 1 ATOM 3423 C CZ . ARG C 1 56 ? 33.714 4.292 -105.703 1.00 68.54 ? 53 ARG C CZ 1 ATOM 3424 N NH1 . ARG C 1 56 ? 32.824 4.982 -105.038 1.00 53.51 1 53 ARG C NH1 1 ATOM 3425 N NH2 . ARG C 1 56 ? 33.528 4.131 -106.988 1.00 56.57 ? 53 ARG C NH2 1 ATOM 3426 N N . PHE C 1 57 ? 31.027 1.859 -102.129 1.00 14.58 ? 54 PHE C N 1 ATOM 3427 C CA . PHE C 1 57 ? 29.837 1.706 -102.947 1.00 12.98 ? 54 PHE C CA 1 ATOM 3428 C C . PHE C 1 57 ? 29.675 2.957 -103.786 1.00 15.79 ? 54 PHE C C 1 ATOM 3429 O O . PHE C 1 57 ? 29.688 4.065 -103.256 1.00 16.01 ? 54 PHE C O 1 ATOM 3430 C CB . PHE C 1 57 ? 28.577 1.400 -102.111 1.00 12.90 ? 54 PHE C CB 1 ATOM 3431 C CG . PHE C 1 57 ? 27.328 1.212 -102.954 1.00 12.33 ? 54 PHE C CG 1 ATOM 3432 C CD1 . PHE C 1 57 ? 27.102 0.021 -103.634 1.00 12.80 ? 54 PHE C CD1 1 ATOM 3433 C CD2 . PHE C 1 57 ? 26.394 2.236 -103.086 1.00 12.76 ? 54 PHE C CD2 1 ATOM 3434 C CE1 . PHE C 1 57 ? 25.955 -0.149 -104.421 1.00 12.76 ? 54 PHE C CE1 1 ATOM 3435 C CE2 . PHE C 1 57 ? 25.249 2.065 -103.870 1.00 14.06 ? 54 PHE C CE2 1 ATOM 3436 C CZ . PHE C 1 57 ? 25.035 0.870 -104.527 1.00 12.22 ? 54 PHE C CZ 1 ATOM 3437 N N . ASP C 1 58 ? 29.531 2.782 -105.095 1.00 13.56 ? 55 ASP C N 1 ATOM 3438 C CA . ASP C 1 58 ? 29.323 3.916 -105.977 1.00 14.01 ? 55 ASP C CA 1 ATOM 3439 C C . ASP C 1 58 ? 27.849 4.323 -106.000 1.00 16.66 ? 55 ASP C C 1 ATOM 3440 O O . ASP C 1 58 ? 27.000 3.486 -106.312 1.00 16.61 ? 55 ASP C O 1 ATOM 3441 C CB . ASP C 1 58 ? 29.814 3.626 -107.390 1.00 15.48 ? 55 ASP C CB 1 ATOM 3442 C CG . ASP C 1 58 ? 30.032 4.918 -108.123 1.00 24.37 ? 55 ASP C CG 1 ATOM 3443 O OD1 . ASP C 1 58 ? 29.038 5.466 -108.670 1.00 22.54 ? 55 ASP C OD1 1 ATOM 3444 O OD2 . ASP C 1 58 ? 31.175 5.432 -108.086 1.00 35.51 -1 55 ASP C OD2 1 ATOM 3445 N N . PRO C 1 59 ? 27.536 5.581 -105.741 1.00 14.25 ? 56 PRO C N 1 ATOM 3446 C CA . PRO C 1 59 ? 26.154 6.087 -105.772 1.00 13.34 ? 56 PRO C CA 1 ATOM 3447 C C . PRO C 1 59 ? 25.334 5.832 -107.043 1.00 14.88 ? 56 PRO C C 1 ATOM 3448 O O . PRO C 1 59 ? 24.168 5.699 -106.939 1.00 14.69 ? 56 PRO C O 1 ATOM 3449 C CB . PRO C 1 59 ? 26.331 7.577 -105.562 1.00 15.62 ? 56 PRO C CB 1 ATOM 3450 C CG . PRO C 1 59 ? 27.595 7.722 -104.898 1.00 19.03 ? 56 PRO C CG 1 ATOM 3451 C CD . PRO C 1 59 ? 28.474 6.590 -105.266 1.00 15.79 ? 56 PRO C CD 1 ATOM 3452 N N . GLN C 1 60 ? 25.961 5.767 -108.197 1.00 12.37 ? 57 GLN C N 1 ATOM 3453 C CA . GLN C 1 60 ? 25.284 5.597 -109.459 1.00 11.95 ? 57 GLN C CA 1 ATOM 3454 C C . GLN C 1 60 ? 24.507 4.277 -109.538 1.00 15.31 ? 57 GLN C C 1 ATOM 3455 O O . GLN C 1 60 ? 23.535 4.216 -110.193 1.00 15.84 ? 57 GLN C O 1 ATOM 3456 C CB . GLN C 1 60 ? 26.237 5.760 -110.635 1.00 13.09 ? 57 GLN C CB 1 ATOM 3457 C CG . GLN C 1 60 ? 25.627 5.927 -112.019 1.00 11.40 ? 57 GLN C CG 1 ATOM 3458 C CD . GLN C 1 60 ? 24.476 6.919 -112.091 1.00 19.55 ? 57 GLN C CD 1 ATOM 3459 O OE1 . GLN C 1 60 ? 23.385 6.565 -112.415 1.00 16.71 ? 57 GLN C OE1 1 ATOM 3460 N NE2 . GLN C 1 60 ? 24.740 8.141 -111.768 1.00 8.85 ? 57 GLN C NE2 1 ATOM 3461 N N . PHE C 1 61 ? 24.991 3.229 -108.901 1.00 12.72 ? 58 PHE C N 1 ATOM 3462 C CA . PHE C 1 61 ? 24.288 1.972 -108.862 1.00 12.16 ? 58 PHE C CA 1 ATOM 3463 C C . PHE C 1 61 ? 22.923 2.122 -108.163 1.00 15.97 ? 58 PHE C C 1 ATOM 3464 O O . PHE C 1 61 ? 21.967 1.563 -108.598 1.00 16.67 ? 58 PHE C O 1 ATOM 3465 C CB . PHE C 1 61 ? 25.128 0.884 -108.210 1.00 12.91 ? 58 PHE C CB 1 ATOM 3466 C CG . PHE C 1 61 ? 26.258 0.422 -109.043 1.00 14.24 ? 58 PHE C CG 1 ATOM 3467 C CD1 . PHE C 1 61 ? 26.035 -0.049 -110.298 1.00 15.80 ? 58 PHE C CD1 1 ATOM 3468 C CD2 . PHE C 1 61 ? 27.552 0.494 -108.587 1.00 16.59 ? 58 PHE C CD2 1 ATOM 3469 C CE1 . PHE C 1 61 ? 27.062 -0.474 -111.075 1.00 17.06 ? 58 PHE C CE1 1 ATOM 3470 C CE2 . PHE C 1 61 ? 28.589 0.053 -109.354 1.00 18.94 ? 58 PHE C CE2 1 ATOM 3471 C CZ . PHE C 1 61 ? 28.342 -0.432 -110.597 1.00 17.48 ? 58 PHE C CZ 1 ATOM 3472 N N . ALA C 1 62 ? 22.891 2.879 -107.078 1.00 13.03 ? 59 ALA C N 1 ATOM 3473 C CA . ALA C 1 62 ? 21.683 3.259 -106.394 1.00 12.64 ? 59 ALA C CA 1 ATOM 3474 C C . ALA C 1 62 ? 20.727 4.159 -107.164 1.00 14.84 ? 59 ALA C C 1 ATOM 3475 O O . ALA C 1 62 ? 19.574 3.900 -107.198 1.00 14.38 ? 59 ALA C O 1 ATOM 3476 C CB . ALA C 1 62 ? 22.010 3.856 -105.056 1.00 13.43 ? 59 ALA C CB 1 ATOM 3477 N N . LEU C 1 63 ? 21.256 5.182 -107.801 1.00 12.59 ? 60 LEU C N 1 ATOM 3478 C CA . LEU C 1 63 ? 20.461 6.074 -108.568 1.00 13.08 ? 60 LEU C CA 1 ATOM 3479 C C . LEU C 1 63 ? 19.835 5.393 -109.750 1.00 15.35 ? 60 LEU C C 1 ATOM 3480 O O . LEU C 1 63 ? 18.728 5.690 -110.106 1.00 15.17 ? 60 LEU C O 1 ATOM 3481 C CB . LEU C 1 63 ? 21.253 7.274 -108.992 1.00 14.59 ? 60 LEU C CB 1 ATOM 3482 C CG . LEU C 1 63 ? 21.872 8.083 -107.883 1.00 18.98 ? 60 LEU C CG 1 ATOM 3483 C CD1 . LEU C 1 63 ? 23.132 8.760 -108.306 1.00 20.19 ? 60 LEU C CD1 1 ATOM 3484 C CD2 . LEU C 1 63 ? 20.913 9.059 -107.306 1.00 22.35 ? 60 LEU C CD2 1 ATOM 3485 N N . THR C 1 64 ? 20.589 4.516 -110.381 1.00 12.26 ? 61 THR C N 1 ATOM 3486 C CA . THR C 1 64 ? 20.104 3.736 -111.474 1.00 11.46 ? 61 THR C CA 1 ATOM 3487 C C . THR C 1 64 ? 19.005 2.763 -111.051 1.00 12.03 ? 61 THR C C 1 ATOM 3488 O O . THR C 1 64 ? 18.000 2.687 -111.698 1.00 11.38 ? 61 THR C O 1 ATOM 3489 C CB . THR C 1 64 ? 21.249 3.044 -112.240 1.00 17.47 ? 61 THR C CB 1 ATOM 3490 O OG1 . THR C 1 64 ? 22.033 4.015 -112.898 1.00 21.19 ? 61 THR C OG1 1 ATOM 3491 C CG2 . THR C 1 64 ? 20.737 2.112 -113.255 1.00 15.78 ? 61 THR C CG2 1 ATOM 3492 N N . ASN C 1 65 ? 19.203 2.116 -109.916 1.00 8.83 ? 62 ASN C N 1 ATOM 3493 C CA . ASN C 1 65 ? 18.245 1.201 -109.323 1.00 8.29 ? 62 ASN C CA 1 ATOM 3494 C C . ASN C 1 65 ? 16.932 1.936 -109.030 1.00 9.24 ? 62 ASN C C 1 ATOM 3495 O O . ASN C 1 65 ? 15.896 1.451 -109.400 1.00 9.49 ? 62 ASN C O 1 ATOM 3496 C CB . ASN C 1 65 ? 18.771 0.634 -107.988 1.00 8.51 ? 62 ASN C CB 1 ATOM 3497 C CG . ASN C 1 65 ? 19.550 -0.670 -108.129 1.00 15.18 ? 62 ASN C CG 1 ATOM 3498 O OD1 . ASN C 1 65 ? 20.062 -0.958 -109.125 1.00 7.78 ? 62 ASN C OD1 1 ATOM 3499 N ND2 . ASN C 1 65 ? 19.608 -1.418 -107.088 1.00 6.61 ? 62 ASN C ND2 1 ATOM 3500 N N . ILE C 1 66 ? 17.027 3.136 -108.473 1.00 7.66 ? 63 ILE C N 1 ATOM 3501 C CA . ILE C 1 66 ? 15.896 3.961 -108.156 1.00 7.66 ? 63 ILE C CA 1 ATOM 3502 C C . ILE C 1 66 ? 15.117 4.353 -109.393 1.00 9.02 ? 63 ILE C C 1 ATOM 3503 O O . ILE C 1 66 ? 13.927 4.320 -109.374 1.00 9.23 ? 63 ILE C O 1 ATOM 3504 C CB . ILE C 1 66 ? 16.261 5.147 -107.286 1.00 9.11 ? 63 ILE C CB 1 ATOM 3505 C CG1 . ILE C 1 66 ? 16.874 4.696 -105.973 1.00 9.30 ? 63 ILE C CG1 1 ATOM 3506 C CG2 . ILE C 1 66 ? 15.076 6.030 -106.985 1.00 8.86 ? 63 ILE C CG2 1 ATOM 3507 C CD1 . ILE C 1 66 ? 16.073 3.727 -105.158 1.00 11.10 ? 63 ILE C CD1 1 ATOM 3508 N N . ALA C 1 67 ? 15.815 4.654 -110.472 1.00 7.28 ? 64 ALA C N 1 ATOM 3509 C CA . ALA C 1 67 ? 15.189 4.914 -111.729 1.00 7.05 ? 64 ALA C CA 1 ATOM 3510 C C . ALA C 1 67 ? 14.366 3.743 -112.248 1.00 8.07 ? 64 ALA C C 1 ATOM 3511 O O . ALA C 1 67 ? 13.299 3.940 -112.676 1.00 8.06 ? 64 ALA C O 1 ATOM 3512 C CB . ALA C 1 67 ? 16.198 5.339 -112.756 1.00 7.48 ? 64 ALA C CB 1 ATOM 3513 N N . VAL C 1 68 ? 14.867 2.538 -112.134 1.00 6.61 ? 65 VAL C N 1 ATOM 3514 C CA . VAL C 1 68 ? 14.095 1.363 -112.433 1.00 6.49 ? 65 VAL C CA 1 ATOM 3515 C C . VAL C 1 68 ? 12.826 1.191 -111.579 1.00 9.61 ? 65 VAL C C 1 ATOM 3516 O O . VAL C 1 68 ? 11.833 0.848 -112.101 1.00 10.49 ? 65 VAL C O 1 ATOM 3517 C CB . VAL C 1 68 ? 14.939 0.073 -112.373 1.00 7.23 ? 65 VAL C CB 1 ATOM 3518 C CG1 . VAL C 1 68 ? 14.089 -1.160 -112.644 1.00 6.87 ? 65 VAL C CG1 1 ATOM 3519 C CG2 . VAL C 1 68 ? 16.147 0.136 -113.275 1.00 7.01 ? 65 VAL C CG2 1 ATOM 3520 N N . LEU C 1 69 ? 12.921 1.389 -110.276 1.00 8.59 ? 66 LEU C N 1 ATOM 3521 C CA . LEU C 1 69 ? 11.813 1.326 -109.313 1.00 8.58 ? 66 LEU C CA 1 ATOM 3522 C C . LEU C 1 69 ? 10.677 2.268 -109.741 1.00 12.66 ? 66 LEU C C 1 ATOM 3523 O O . LEU C 1 69 ? 9.508 1.871 -109.725 1.00 14.05 ? 66 LEU C O 1 ATOM 3524 C CB . LEU C 1 69 ? 12.304 1.682 -107.895 1.00 8.51 ? 66 LEU C CB 1 ATOM 3525 C CG . LEU C 1 69 ? 12.597 0.486 -106.973 1.00 9.53 ? 66 LEU C CG 1 ATOM 3526 C CD1 . LEU C 1 69 ? 13.972 -0.151 -107.265 1.00 9.46 ? 66 LEU C CD1 1 ATOM 3527 C CD2 . LEU C 1 69 ? 12.507 0.901 -105.535 1.00 9.28 ? 66 LEU C CD2 1 ATOM 3528 N N . LYS C 1 70 ? 11.048 3.482 -110.177 1.00 10.87 ? 67 LYS C N 1 ATOM 3529 C CA . LYS C 1 70 ? 10.174 4.536 -110.674 1.00 11.24 ? 67 LYS C CA 1 ATOM 3530 C C . LYS C 1 70 ? 9.423 4.059 -111.920 1.00 13.96 ? 67 LYS C C 1 ATOM 3531 O O . LYS C 1 70 ? 8.219 4.304 -112.037 1.00 15.78 ? 67 LYS C O 1 ATOM 3532 C CB . LYS C 1 70 ? 11.013 5.787 -110.978 1.00 13.66 ? 67 LYS C CB 1 ATOM 3533 C CG . LYS C 1 70 ? 10.220 6.954 -111.559 1.00 17.83 ? 67 LYS C CG 1 ATOM 3534 C CD . LYS C 1 70 ? 11.125 8.118 -111.829 1.00 20.25 ? 67 LYS C CD 1 ATOM 3535 C CE . LYS C 1 70 ? 10.470 9.123 -112.742 1.00 28.92 ? 67 LYS C CE 1 ATOM 3536 N NZ . LYS C 1 70 ? 11.373 10.278 -112.989 1.00 36.78 1 67 LYS C NZ 1 ATOM 3537 N N . HIS C 1 71 ? 10.138 3.374 -112.839 1.00 10.62 ? 68 HIS C N 1 ATOM 3538 C CA . HIS C 1 71 ? 9.572 2.795 -114.052 1.00 10.20 ? 68 HIS C CA 1 ATOM 3539 C C . HIS C 1 71 ? 8.556 1.707 -113.657 1.00 13.20 ? 68 HIS C C 1 ATOM 3540 O O . HIS C 1 71 ? 7.440 1.679 -114.181 1.00 13.08 ? 68 HIS C O 1 ATOM 3541 C CB . HIS C 1 71 ? 10.700 2.216 -114.936 1.00 10.39 ? 68 HIS C CB 1 ATOM 3542 C CG . HIS C 1 71 ? 10.218 1.316 -116.036 1.00 12.39 ? 68 HIS C CG 1 ATOM 3543 N ND1 . HIS C 1 71 ? 9.946 1.802 -117.305 1.00 14.86 ? 68 HIS C ND1 1 ATOM 3544 C CD2 . HIS C 1 71 ? 9.950 -0.010 -116.013 1.00 12.63 ? 68 HIS C CD2 1 ATOM 3545 C CE1 . HIS C 1 71 ? 9.532 0.762 -118.005 1.00 13.80 ? 68 HIS C CE1 1 ATOM 3546 N NE2 . HIS C 1 71 ? 9.529 -0.350 -117.273 1.00 13.06 ? 68 HIS C NE2 1 ATOM 3547 N N . ASN C 1 72 ? 8.958 0.823 -112.723 1.00 11.03 ? 69 ASN C N 1 ATOM 3548 C CA . ASN C 1 72 ? 8.143 -0.293 -112.240 1.00 10.65 ? 69 ASN C CA 1 ATOM 3549 C C . ASN C 1 72 ? 6.898 0.170 -111.520 1.00 15.19 ? 69 ASN C C 1 ATOM 3550 O O . ASN C 1 72 ? 5.840 -0.446 -111.703 1.00 15.62 ? 69 ASN C O 1 ATOM 3551 C CB . ASN C 1 72 ? 8.947 -1.208 -111.303 1.00 8.38 ? 69 ASN C CB 1 ATOM 3552 C CG . ASN C 1 72 ? 9.913 -2.117 -111.992 1.00 13.31 ? 69 ASN C CG 1 ATOM 3553 O OD1 . ASN C 1 72 ? 10.210 -1.968 -113.182 1.00 7.35 ? 69 ASN C OD1 1 ATOM 3554 N ND2 . ASN C 1 72 ? 10.445 -3.071 -111.248 1.00 7.33 ? 69 ASN C ND2 1 ATOM 3555 N N . LEU C 1 73 ? 7.022 1.244 -110.700 1.00 12.06 ? 70 LEU C N 1 ATOM 3556 C CA . LEU C 1 73 ? 5.914 1.758 -109.905 1.00 11.87 ? 70 LEU C CA 1 ATOM 3557 C C . LEU C 1 73 ? 4.794 2.245 -110.805 1.00 15.97 ? 70 LEU C C 1 ATOM 3558 O O . LEU C 1 73 ? 3.649 1.862 -110.558 1.00 16.23 ? 70 LEU C O 1 ATOM 3559 C CB . LEU C 1 73 ? 6.340 2.836 -108.882 1.00 12.11 ? 70 LEU C CB 1 ATOM 3560 C CG . LEU C 1 73 ? 5.188 3.437 -108.014 1.00 16.85 ? 70 LEU C CG 1 ATOM 3561 C CD1 . LEU C 1 73 ? 4.625 2.416 -107.020 1.00 17.10 ? 70 LEU C CD1 1 ATOM 3562 C CD2 . LEU C 1 73 ? 5.597 4.724 -107.336 1.00 17.28 ? 70 LEU C CD2 1 ATOM 3563 N N . ASN C 1 74 ? 5.108 2.998 -111.881 1.00 13.19 ? 71 ASN C N 1 ATOM 3564 C CA . ASN C 1 74 ? 4.074 3.474 -112.806 1.00 14.75 ? 71 ASN C CA 1 ATOM 3565 C C . ASN C 1 74 ? 3.304 2.311 -113.460 1.00 17.00 ? 71 ASN C C 1 ATOM 3566 O O . ASN C 1 74 ? 2.096 2.430 -113.651 1.00 17.94 ? 71 ASN C O 1 ATOM 3567 C CB . ASN C 1 74 ? 4.656 4.395 -113.884 1.00 21.23 ? 71 ASN C CB 1 ATOM 3568 C CG . ASN C 1 74 ? 5.021 5.786 -113.402 1.00 60.83 ? 71 ASN C CG 1 ATOM 3569 O OD1 . ASN C 1 74 ? 4.433 6.338 -112.452 1.00 57.28 ? 71 ASN C OD1 1 ATOM 3570 N ND2 . ASN C 1 74 ? 5.998 6.398 -114.067 1.00 56.55 ? 71 ASN C ND2 1 ATOM 3571 N N . ILE C 1 75 ? 3.984 1.192 -113.771 1.00 11.94 ? 72 ILE C N 1 ATOM 3572 C CA . ILE C 1 75 ? 3.336 0.032 -114.389 1.00 12.61 ? 72 ILE C CA 1 ATOM 3573 C C . ILE C 1 75 ? 2.464 -0.729 -113.358 1.00 17.43 ? 72 ILE C C 1 ATOM 3574 O O . ILE C 1 75 ? 1.358 -1.160 -113.695 1.00 17.90 ? 72 ILE C O 1 ATOM 3575 C CB . ILE C 1 75 ? 4.385 -0.883 -115.075 1.00 15.16 ? 72 ILE C CB 1 ATOM 3576 C CG1 . ILE C 1 75 ? 4.874 -0.226 -116.378 1.00 15.62 ? 72 ILE C CG1 1 ATOM 3577 C CG2 . ILE C 1 75 ? 3.868 -2.329 -115.327 1.00 15.67 ? 72 ILE C CG2 1 ATOM 3578 C CD1 . ILE C 1 75 ? 6.232 -0.703 -116.837 1.00 19.68 ? 72 ILE C CD1 1 ATOM 3579 N N . VAL C 1 76 ? 2.951 -0.876 -112.119 1.00 13.08 ? 73 VAL C N 1 ATOM 3580 C CA . VAL C 1 76 ? 2.231 -1.629 -111.097 1.00 12.72 ? 73 VAL C CA 1 ATOM 3581 C C . VAL C 1 76 ? 1.014 -0.802 -110.554 1.00 17.11 ? 73 VAL C C 1 ATOM 3582 O O . VAL C 1 76 ? -0.027 -1.422 -110.350 1.00 18.58 ? 73 VAL C O 1 ATOM 3583 C CB . VAL C 1 76 ? 3.185 -2.178 -109.995 1.00 15.75 ? 73 VAL C CB 1 ATOM 3584 C CG1 . VAL C 1 76 ? 2.416 -2.959 -108.946 1.00 15.98 ? 73 VAL C CG1 1 ATOM 3585 C CG2 . VAL C 1 76 ? 4.234 -3.098 -110.623 1.00 14.73 ? 73 VAL C CG2 1 ATOM 3586 N N . ILE C 1 77 ? 1.086 0.558 -110.423 1.00 11.78 ? 74 ILE C N 1 ATOM 3587 C CA . ILE C 1 77 ? -0.085 1.393 -110.019 1.00 11.21 ? 74 ILE C CA 1 ATOM 3588 C C . ILE C 1 77 ? -1.278 1.123 -110.975 1.00 15.16 ? 74 ILE C C 1 ATOM 3589 O O . ILE C 1 77 ? -2.400 0.920 -110.515 1.00 15.90 ? 74 ILE C O 1 ATOM 3590 C CB . ILE C 1 77 ? 0.226 2.934 -109.959 1.00 13.57 ? 74 ILE C CB 1 ATOM 3591 C CG1 . ILE C 1 77 ? 1.299 3.282 -108.899 1.00 12.72 ? 74 ILE C CG1 1 ATOM 3592 C CG2 . ILE C 1 77 ? -1.068 3.792 -109.733 1.00 13.44 ? 74 ILE C CG2 1 ATOM 3593 C CD1 . ILE C 1 77 ? 1.973 4.646 -109.146 1.00 14.47 ? 74 ILE C CD1 1 ATOM 3594 N N . LYS C 1 78 ? -1.014 1.107 -112.293 1.00 11.91 ? 75 LYS C N 1 ATOM 3595 C CA . LYS C 1 78 ? -2.003 0.859 -113.353 1.00 12.92 ? 75 LYS C CA 1 ATOM 3596 C C . LYS C 1 78 ? -2.653 -0.528 -113.194 1.00 17.89 ? 75 LYS C C 1 ATOM 3597 O O . LYS C 1 78 ? -3.882 -0.629 -113.210 1.00 18.90 ? 75 LYS C O 1 ATOM 3598 C CB . LYS C 1 78 ? -1.333 1.000 -114.743 1.00 15.43 ? 75 LYS C CB 1 ATOM 3599 C CG . LYS C 1 78 ? -2.254 0.714 -115.934 1.00 31.83 ? 75 LYS C CG 1 ATOM 3600 C CD . LYS C 1 78 ? -1.514 0.885 -117.261 1.00 42.82 ? 75 LYS C CD 1 ATOM 3601 C CE . LYS C 1 78 ? -2.304 0.386 -118.449 1.00 50.66 ? 75 LYS C CE 1 ATOM 3602 N NZ . LYS C 1 78 ? -1.519 0.487 -119.706 1.00 60.03 1 75 LYS C NZ 1 ATOM 3603 N N . ARG C 1 79 ? -1.820 -1.582 -113.042 1.00 13.34 ? 76 ARG C N 1 ATOM 3604 C CA . ARG C 1 79 ? -2.226 -2.977 -112.897 1.00 12.95 ? 76 ARG C CA 1 ATOM 3605 C C . ARG C 1 79 ? -2.983 -3.213 -111.577 1.00 18.44 ? 76 ARG C C 1 ATOM 3606 O O . ARG C 1 79 ? -3.863 -4.078 -111.532 1.00 19.25 ? 76 ARG C O 1 ATOM 3607 C CB . ARG C 1 79 ? -0.990 -3.875 -112.988 1.00 10.60 ? 76 ARG C CB 1 ATOM 3608 C CG . ARG C 1 79 ? -1.276 -5.362 -113.101 1.00 17.20 ? 76 ARG C CG 1 ATOM 3609 C CD . ARG C 1 79 ? -0.070 -6.170 -112.683 1.00 18.37 ? 76 ARG C CD 1 ATOM 3610 N NE . ARG C 1 79 ? 0.961 -6.039 -113.692 1.00 19.28 ? 76 ARG C NE 1 ATOM 3611 C CZ . ARG C 1 79 ? 2.262 -6.155 -113.483 1.00 23.63 ? 76 ARG C CZ 1 ATOM 3612 N NH1 . ARG C 1 79 ? 2.725 -6.483 -112.279 1.00 4.81 1 76 ARG C NH1 1 ATOM 3613 N NH2 . ARG C 1 79 ? 3.109 -5.977 -114.476 1.00 21.59 ? 76 ARG C NH2 1 ATOM 3614 N N . SER C 1 80 ? -2.666 -2.438 -110.516 1.00 15.82 ? 77 SER C N 1 ATOM 3615 C CA . SER C 1 80 ? -3.344 -2.533 -109.221 1.00 16.47 ? 77 SER C CA 1 ATOM 3616 C C . SER C 1 80 ? -4.694 -1.779 -109.232 1.00 23.07 ? 77 SER C C 1 ATOM 3617 O O . SER C 1 80 ? -5.439 -1.847 -108.254 1.00 23.34 ? 77 SER C O 1 ATOM 3618 C CB . SER C 1 80 ? -2.452 -1.975 -108.112 1.00 19.65 ? 77 SER C CB 1 ATOM 3619 O OG . SER C 1 80 ? -2.380 -0.557 -108.154 1.00 29.65 ? 77 SER C OG 1 ATOM 3620 N N . ASN C 1 81 ? -4.991 -1.067 -110.340 1.00 21.03 ? 78 ASN C N 1 ATOM 3621 C CA . ASN C 1 81 ? -6.151 -0.197 -110.561 1.00 22.48 ? 78 ASN C CA 1 ATOM 3622 C C . ASN C 1 81 ? -6.117 0.985 -109.539 1.00 25.67 ? 78 ASN C C 1 ATOM 3623 O O . ASN C 1 81 ? -7.132 1.365 -108.947 1.00 25.97 ? 78 ASN C O 1 ATOM 3624 C CB . ASN C 1 81 ? -7.479 -0.987 -110.566 1.00 27.00 ? 78 ASN C CB 1 ATOM 3625 C CG . ASN C 1 81 ? -7.632 -1.889 -111.779 1.00 65.89 ? 78 ASN C CG 1 ATOM 3626 O OD1 . ASN C 1 81 ? -7.303 -1.520 -112.918 1.00 63.86 ? 78 ASN C OD1 1 ATOM 3627 N ND2 . ASN C 1 81 ? -8.150 -3.094 -111.570 1.00 60.49 ? 78 ASN C ND2 1 ATOM 3628 N N . SER C 1 82 ? -4.918 1.514 -109.359 1.00 21.37 ? 79 SER C N 1 ATOM 3629 C CA . SER C 1 82 ? -4.589 2.627 -108.489 1.00 20.56 ? 79 SER C CA 1 ATOM 3630 C C . SER C 1 82 ? -4.872 2.444 -107.016 1.00 23.84 ? 79 SER C C 1 ATOM 3631 O O . SER C 1 82 ? -5.410 3.304 -106.386 1.00 24.36 ? 79 SER C O 1 ATOM 3632 C CB . SER C 1 82 ? -5.183 3.922 -109.008 1.00 23.12 ? 79 SER C CB 1 ATOM 3633 O OG . SER C 1 82 ? -4.827 4.139 -110.334 1.00 27.82 ? 79 SER C OG 1 ATOM 3634 N N . THR C 1 83 ? -4.439 1.325 -106.479 1.00 18.16 ? 80 THR C N 1 ATOM 3635 C CA . THR C 1 83 ? -4.576 1.043 -105.077 1.00 17.53 ? 80 THR C CA 1 ATOM 3636 C C . THR C 1 83 ? -3.456 1.724 -104.318 1.00 20.47 ? 80 THR C C 1 ATOM 3637 O O . THR C 1 83 ? -2.321 1.422 -104.495 1.00 18.56 ? 80 THR C O 1 ATOM 3638 C CB . THR C 1 83 ? -4.480 -0.467 -104.818 1.00 23.61 ? 80 THR C CB 1 ATOM 3639 O OG1 . THR C 1 83 ? -5.391 -1.166 -105.635 1.00 25.56 ? 80 THR C OG1 1 ATOM 3640 C CG2 . THR C 1 83 ? -4.753 -0.770 -103.453 1.00 19.07 ? 80 THR C CG2 1 ATOM 3641 N N . ALA C 1 84 ? -3.829 2.679 -103.489 1.00 18.27 ? 81 ALA C N 1 ATOM 3642 C CA . ALA C 1 84 ? -2.928 3.469 -102.679 1.00 18.08 ? 81 ALA C CA 1 ATOM 3643 C C . ALA C 1 84 ? -2.558 2.854 -101.364 1.00 21.59 ? 81 ALA C C 1 ATOM 3644 O O . ALA C 1 84 ? -3.173 1.952 -100.949 1.00 21.67 ? 81 ALA C O 1 ATOM 3645 C CB . ALA C 1 84 ? -3.468 4.860 -102.479 1.00 19.93 ? 81 ALA C CB 1 ATOM 3646 N N . ALA C 1 85 ? -1.525 3.374 -100.735 1.00 17.45 ? 82 ALA C N 1 ATOM 3647 C CA . ALA C 1 85 ? -1.085 2.926 -99.431 1.00 17.21 ? 82 ALA C CA 1 ATOM 3648 C C . ALA C 1 85 ? -2.066 3.151 -98.284 1.00 24.09 ? 82 ALA C C 1 ATOM 3649 O O . ALA C 1 85 ? -2.712 4.150 -98.183 1.00 25.60 ? 82 ALA C O 1 ATOM 3650 C CB . ALA C 1 85 ? 0.245 3.543 -99.089 1.00 17.07 ? 82 ALA C CB 1 ATOM 3651 N N . THR C 1 86 ? -2.124 2.183 -97.411 1.00 20.44 ? 83 THR C N 1 ATOM 3652 C CA . THR C 1 86 ? -2.878 2.254 -96.214 1.00 21.32 ? 83 THR C CA 1 ATOM 3653 C C . THR C 1 86 ? -1.985 2.782 -95.117 1.00 25.16 ? 83 THR C C 1 ATOM 3654 O O . THR C 1 86 ? -0.898 2.333 -94.974 1.00 24.52 ? 83 THR C O 1 ATOM 3655 C CB . THR C 1 86 ? -3.376 0.860 -95.894 1.00 29.69 ? 83 THR C CB 1 ATOM 3656 O OG1 . THR C 1 86 ? -4.361 0.505 -96.849 1.00 31.71 ? 83 THR C OG1 1 ATOM 3657 C CG2 . THR C 1 86 ? -3.940 0.784 -94.546 1.00 29.12 ? 83 THR C CG2 1 ATOM 3658 N N . ASN C 1 87 ? -2.464 3.739 -94.349 1.00 23.36 ? 84 ASN C N 1 ATOM 3659 C CA . ASN C 1 87 ? -1.692 4.358 -93.278 1.00 23.46 ? 84 ASN C CA 1 ATOM 3660 C C . ASN C 1 87 ? -1.767 3.514 -92.012 1.00 28.04 ? 84 ASN C C 1 ATOM 3661 O O . ASN C 1 87 ? -2.857 3.177 -91.553 1.00 28.35 ? 84 ASN C O 1 ATOM 3662 C CB . ASN C 1 87 ? -2.172 5.795 -93.005 1.00 22.07 ? 84 ASN C CB 1 ATOM 3663 C CG . ASN C 1 87 ? -2.073 6.727 -94.193 1.00 38.95 ? 84 ASN C CG 1 ATOM 3664 O OD1 . ASN C 1 87 ? -1.019 6.887 -94.810 1.00 31.70 ? 84 ASN C OD1 1 ATOM 3665 N ND2 . ASN C 1 87 ? -3.176 7.356 -94.554 1.00 32.69 ? 84 ASN C ND2 1 ATOM 3666 N N . GLU C 1 88 ? -0.599 3.149 -91.471 1.00 24.17 ? 85 GLU C N 1 ATOM 3667 C CA . GLU C 1 88 ? -0.496 2.389 -90.226 1.00 24.54 ? 85 GLU C CA 1 ATOM 3668 C C . GLU C 1 88 ? -0.355 3.336 -89.033 1.00 29.25 ? 85 GLU C C 1 ATOM 3669 O O . GLU C 1 88 ? 0.062 4.481 -89.200 1.00 28.88 ? 85 GLU C O 1 ATOM 3670 C CB . GLU C 1 88 ? 0.704 1.419 -90.271 1.00 24.61 ? 85 GLU C CB 1 ATOM 3671 C CG . GLU C 1 88 ? 0.452 0.120 -91.031 1.00 33.46 ? 85 GLU C CG 1 ATOM 3672 C CD . GLU C 1 88 ? -0.561 -0.850 -90.447 1.00 53.89 ? 85 GLU C CD 1 ATOM 3673 O OE1 . GLU C 1 88 ? -0.719 -0.895 -89.204 1.00 46.97 ? 85 GLU C OE1 1 ATOM 3674 O OE2 . GLU C 1 88 ? -1.182 -1.588 -91.245 1.00 49.50 -1 85 GLU C OE2 1 ATOM 3675 N N . VAL C 1 89 ? -0.694 2.858 -87.834 1.00 26.87 ? 86 VAL C N 1 ATOM 3676 C CA . VAL C 1 89 ? -0.503 3.632 -86.616 1.00 27.70 ? 86 VAL C CA 1 ATOM 3677 C C . VAL C 1 89 ? 0.932 3.332 -86.116 1.00 31.18 ? 86 VAL C C 1 ATOM 3678 O O . VAL C 1 89 ? 1.232 2.180 -85.791 1.00 30.73 ? 86 VAL C O 1 ATOM 3679 C CB . VAL C 1 89 ? -1.592 3.356 -85.542 1.00 33.06 ? 86 VAL C CB 1 ATOM 3680 C CG1 . VAL C 1 89 ? -1.315 4.131 -84.254 1.00 34.13 ? 86 VAL C CG1 1 ATOM 3681 C CG2 . VAL C 1 89 ? -2.985 3.686 -86.072 1.00 33.50 ? 86 VAL C CG2 1 ATOM 3682 N N . PRO C 1 90 ? 1.853 4.319 -86.081 1.00 27.67 ? 87 PRO C N 1 ATOM 3683 C CA . PRO C 1 90 ? 3.203 4.011 -85.582 1.00 27.07 ? 87 PRO C CA 1 ATOM 3684 C C . PRO C 1 90 ? 3.237 3.845 -84.055 1.00 33.60 ? 87 PRO C C 1 ATOM 3685 O O . PRO C 1 90 ? 2.342 4.298 -83.351 1.00 35.28 ? 87 PRO C O 1 ATOM 3686 C CB . PRO C 1 90 ? 4.058 5.184 -86.068 1.00 28.35 ? 87 PRO C CB 1 ATOM 3687 C CG . PRO C 1 90 ? 3.100 6.298 -86.305 1.00 33.76 ? 87 PRO C CG 1 ATOM 3688 C CD . PRO C 1 90 ? 1.708 5.746 -86.443 1.00 29.81 ? 87 PRO C CD 1 ATOM 3689 N N . GLU C 1 91 ? 4.267 3.146 -83.563 1.00 30.75 ? 88 GLU C N 1 ATOM 3690 C CA . GLU C 1 91 ? 4.509 2.856 -82.146 1.00 31.88 ? 88 GLU C CA 1 ATOM 3691 C C . GLU C 1 91 ? 5.732 3.643 -81.698 1.00 35.41 ? 88 GLU C C 1 ATOM 3692 O O . GLU C 1 91 ? 6.757 3.580 -82.375 1.00 34.30 ? 88 GLU C O 1 ATOM 3693 C CB . GLU C 1 91 ? 4.718 1.342 -81.944 1.00 32.91 ? 88 GLU C CB 1 ATOM 3694 C CG . GLU C 1 91 ? 3.635 0.474 -82.576 1.00 47.39 ? 88 GLU C CG 1 ATOM 3695 C CD . GLU C 1 91 ? 3.893 -1.023 -82.639 1.00 80.81 ? 88 GLU C CD 1 ATOM 3696 O OE1 . GLU C 1 91 ? 5.072 -1.431 -82.769 1.00 81.34 ? 88 GLU C OE1 1 ATOM 3697 O OE2 . GLU C 1 91 ? 2.901 -1.788 -82.615 1.00 80.39 -1 88 GLU C OE2 1 ATOM 3698 N N . VAL C 1 92 ? 5.639 4.418 -80.600 1.00 32.44 ? 89 VAL C N 1 ATOM 3699 C CA . VAL C 1 92 ? 6.789 5.230 -80.170 1.00 32.23 ? 89 VAL C CA 1 ATOM 3700 C C . VAL C 1 92 ? 7.290 4.800 -78.778 1.00 36.39 ? 89 VAL C C 1 ATOM 3701 O O . VAL C 1 92 ? 6.501 4.594 -77.864 1.00 37.08 ? 89 VAL C O 1 ATOM 3702 C CB . VAL C 1 92 ? 6.498 6.756 -80.230 1.00 37.20 ? 89 VAL C CB 1 ATOM 3703 C CG1 . VAL C 1 92 ? 7.740 7.579 -79.903 1.00 37.33 ? 89 VAL C CG1 1 ATOM 3704 C CG2 . VAL C 1 92 ? 5.954 7.161 -81.596 1.00 36.02 ? 89 VAL C CG2 1 ATOM 3705 N N . THR C 1 93 ? 8.618 4.659 -78.653 1.00 32.21 ? 90 THR C N 1 ATOM 3706 C CA . THR C 1 93 ? 9.339 4.296 -77.436 1.00 32.75 ? 90 THR C CA 1 ATOM 3707 C C . THR C 1 93 ? 10.542 5.238 -77.290 1.00 36.94 ? 90 THR C C 1 ATOM 3708 O O . THR C 1 93 ? 11.257 5.496 -78.266 1.00 35.41 ? 90 THR C O 1 ATOM 3709 C CB . THR C 1 93 ? 9.740 2.813 -77.470 1.00 38.67 ? 90 THR C CB 1 ATOM 3710 O OG1 . THR C 1 93 ? 8.566 2.024 -77.672 1.00 39.91 ? 90 THR C OG1 1 ATOM 3711 C CG2 . THR C 1 93 ? 10.426 2.363 -76.188 1.00 38.00 ? 90 THR C CG2 1 ATOM 3712 N N . VAL C 1 94 ? 10.739 5.777 -76.076 1.00 34.44 ? 91 VAL C N 1 ATOM 3713 C CA . VAL C 1 94 ? 11.842 6.695 -75.784 1.00 34.37 ? 91 VAL C CA 1 ATOM 3714 C C . VAL C 1 94 ? 12.652 6.133 -74.610 1.00 37.35 ? 91 VAL C C 1 ATOM 3715 O O . VAL C 1 94 ? 12.088 5.755 -73.581 1.00 38.15 ? 91 VAL C O 1 ATOM 3716 C CB . VAL C 1 94 ? 11.375 8.164 -75.545 1.00 39.95 ? 91 VAL C CB 1 ATOM 3717 C CG1 . VAL C 1 94 ? 12.565 9.093 -75.297 1.00 40.48 ? 91 VAL C CG1 1 ATOM 3718 C CG2 . VAL C 1 94 ? 10.558 8.678 -76.729 1.00 38.83 ? 91 VAL C CG2 1 ATOM 3719 N N . PHE C 1 95 ? 13.977 6.050 -74.798 1.00 31.39 ? 92 PHE C N 1 ATOM 3720 C CA . PHE C 1 95 ? 14.925 5.520 -73.819 1.00 31.03 ? 92 PHE C CA 1 ATOM 3721 C C . PHE C 1 95 ? 16.294 6.143 -74.039 1.00 34.77 ? 92 PHE C C 1 ATOM 3722 O O . PHE C 1 95 ? 16.550 6.696 -75.106 1.00 32.22 ? 92 PHE C O 1 ATOM 3723 C CB . PHE C 1 95 ? 15.005 3.980 -73.915 1.00 31.16 ? 92 PHE C CB 1 ATOM 3724 C CG . PHE C 1 95 ? 15.302 3.436 -75.296 1.00 30.28 ? 92 PHE C CG 1 ATOM 3725 C CD1 . PHE C 1 95 ? 14.278 3.240 -76.222 1.00 32.29 ? 92 PHE C CD1 1 ATOM 3726 C CD2 . PHE C 1 95 ? 16.598 3.089 -75.661 1.00 31.38 ? 92 PHE C CD2 1 ATOM 3727 C CE1 . PHE C 1 95 ? 14.552 2.751 -77.501 1.00 31.07 ? 92 PHE C CE1 1 ATOM 3728 C CE2 . PHE C 1 95 ? 16.871 2.597 -76.938 1.00 32.68 ? 92 PHE C CE2 1 ATOM 3729 C CZ . PHE C 1 95 ? 15.842 2.417 -77.845 1.00 29.75 ? 92 PHE C CZ 1 ATOM 3730 N N . SER C 1 96 ? 17.175 6.048 -73.035 1.00 34.06 ? 93 SER C N 1 ATOM 3731 C CA . SER C 1 96 ? 18.536 6.577 -73.129 1.00 34.41 ? 93 SER C CA 1 ATOM 3732 C C . SER C 1 96 ? 19.495 5.506 -73.620 1.00 36.84 ? 93 SER C C 1 ATOM 3733 O O . SER C 1 96 ? 19.283 4.315 -73.362 1.00 35.50 ? 93 SER C O 1 ATOM 3734 C CB . SER C 1 96 ? 19.004 7.117 -71.781 1.00 40.18 ? 93 SER C CB 1 ATOM 3735 O OG . SER C 1 96 ? 19.214 6.076 -70.842 1.00 49.73 ? 93 SER C OG 1 ATOM 3736 N N . LYS C 1 97 ? 20.565 5.947 -74.306 1.00 33.22 ? 94 LYS C N 1 ATOM 3737 C CA . LYS C 1 97 ? 21.642 5.121 -74.837 1.00 31.71 ? 94 LYS C CA 1 ATOM 3738 C C . LYS C 1 97 ? 22.434 4.476 -73.706 1.00 37.26 ? 94 LYS C C 1 ATOM 3739 O O . LYS C 1 97 ? 22.689 3.278 -73.755 1.00 36.24 ? 94 LYS C O 1 ATOM 3740 C CB . LYS C 1 97 ? 22.571 5.978 -75.713 1.00 33.84 ? 94 LYS C CB 1 ATOM 3741 C CG . LYS C 1 97 ? 23.423 5.178 -76.679 1.00 42.46 ? 94 LYS C CG 1 ATOM 3742 C CD . LYS C 1 97 ? 24.877 5.569 -76.578 1.00 52.62 ? 94 LYS C CD 1 ATOM 3743 C CE . LYS C 1 97 ? 25.595 5.499 -77.906 1.00 64.00 ? 94 LYS C CE 1 ATOM 3744 N NZ . LYS C 1 97 ? 25.699 4.110 -78.440 1.00 70.62 1 94 LYS C NZ 1 ATOM 3745 N N . SER C 1 98 ? 22.809 5.265 -72.690 1.00 36.53 ? 95 SER C N 1 ATOM 3746 C CA . SER C 1 98 ? 23.594 4.791 -71.553 1.00 38.41 ? 95 SER C CA 1 ATOM 3747 C C . SER C 1 98 ? 22.924 5.197 -70.215 1.00 45.57 ? 95 SER C C 1 ATOM 3748 O O . SER C 1 98 ? 21.991 6.011 -70.252 1.00 46.28 ? 95 SER C O 1 ATOM 3749 C CB . SER C 1 98 ? 25.016 5.347 -71.653 1.00 42.90 ? 95 SER C CB 1 ATOM 3750 O OG . SER C 1 98 ? 25.065 6.746 -71.413 1.00 54.77 ? 95 SER C OG 1 ATOM 3751 N N . PRO C 1 99 ? 23.347 4.666 -69.029 1.00 43.90 ? 96 PRO C N 1 ATOM 3752 C CA . PRO C 1 99 ? 22.702 5.101 -67.771 1.00 46.04 ? 96 PRO C CA 1 ATOM 3753 C C . PRO C 1 99 ? 22.994 6.575 -67.470 1.00 51.25 ? 96 PRO C C 1 ATOM 3754 O O . PRO C 1 99 ? 24.117 7.054 -67.659 1.00 50.66 ? 96 PRO C O 1 ATOM 3755 C CB . PRO C 1 99 ? 23.284 4.161 -66.716 1.00 48.87 ? 96 PRO C CB 1 ATOM 3756 C CG . PRO C 1 99 ? 24.584 3.712 -67.283 1.00 52.26 ? 96 PRO C CG 1 ATOM 3757 C CD . PRO C 1 99 ? 24.414 3.673 -68.771 1.00 45.34 ? 96 PRO C CD 1 ATOM 3758 N N . VAL C 1 100 ? 21.945 7.293 -67.046 1.00 49.18 ? 97 VAL C N 1 ATOM 3759 C CA . VAL C 1 100 ? 21.919 8.731 -66.781 1.00 50.72 ? 97 VAL C CA 1 ATOM 3760 C C . VAL C 1 100 ? 22.912 9.154 -65.680 1.00 56.89 ? 97 VAL C C 1 ATOM 3761 O O . VAL C 1 100 ? 22.753 8.803 -64.506 1.00 58.39 ? 97 VAL C O 1 ATOM 3762 C CB . VAL C 1 100 ? 20.475 9.199 -66.443 1.00 55.79 ? 97 VAL C CB 1 ATOM 3763 C CG1 . VAL C 1 100 ? 20.440 10.671 -66.050 1.00 57.79 ? 97 VAL C CG1 1 ATOM 3764 C CG2 . VAL C 1 100 ? 19.525 8.935 -67.603 1.00 53.47 ? 97 VAL C CG2 1 ATOM 3765 N N . THR C 1 101 ? 23.919 9.942 -66.087 1.00 53.39 ? 98 THR C N 1 ATOM 3766 C CA . THR C 1 101 ? 24.924 10.561 -65.216 1.00 55.14 ? 98 THR C CA 1 ATOM 3767 C C . THR C 1 101 ? 24.767 12.064 -65.439 1.00 60.22 ? 98 THR C C 1 ATOM 3768 O O . THR C 1 101 ? 24.960 12.536 -66.559 1.00 58.73 ? 98 THR C O 1 ATOM 3769 C CB . THR C 1 101 ? 26.342 10.017 -65.489 1.00 60.30 ? 98 THR C CB 1 ATOM 3770 O OG1 . THR C 1 101 ? 26.327 8.587 -65.453 1.00 58.03 ? 98 THR C OG1 1 ATOM 3771 C CG2 . THR C 1 101 ? 27.376 10.548 -64.500 1.00 60.73 ? 98 THR C CG2 1 ATOM 3772 N N . LEU C 1 102 ? 24.343 12.795 -64.395 1.00 58.98 ? 99 LEU C N 1 ATOM 3773 C CA . LEU C 1 102 ? 24.079 14.234 -64.448 1.00 60.23 ? 99 LEU C CA 1 ATOM 3774 C C . LEU C 1 102 ? 25.314 15.048 -64.862 1.00 63.07 ? 99 LEU C C 1 ATOM 3775 O O . LEU C 1 102 ? 26.387 14.905 -64.272 1.00 63.21 ? 99 LEU C O 1 ATOM 3776 C CB . LEU C 1 102 ? 23.532 14.732 -63.099 1.00 63.64 ? 99 LEU C CB 1 ATOM 3777 C CG . LEU C 1 102 ? 22.001 14.783 -62.988 1.00 69.00 ? 99 LEU C CG 1 ATOM 3778 C CD1 . LEU C 1 102 ? 21.411 13.415 -62.643 1.00 68.16 ? 99 LEU C CD1 1 ATOM 3779 C CD2 . LEU C 1 102 ? 21.567 15.806 -61.962 1.00 75.18 ? 99 LEU C CD2 1 ATOM 3780 N N . GLY C 1 103 ? 25.134 15.858 -65.908 1.00 58.43 ? 100 GLY C N 1 ATOM 3781 C CA . GLY C 1 103 ? 26.167 16.724 -66.471 1.00 58.46 ? 100 GLY C CA 1 ATOM 3782 C C . GLY C 1 103 ? 27.212 16.009 -67.305 1.00 59.13 ? 100 GLY C C 1 ATOM 3783 O O . GLY C 1 103 ? 28.290 16.560 -67.541 1.00 59.20 ? 100 GLY C O 1 ATOM 3784 N N . GLN C 1 104 ? 26.896 14.782 -67.767 1.00 52.90 ? 101 GLN C N 1 ATOM 3785 C CA . GLN C 1 104 ? 27.785 13.934 -68.566 1.00 50.07 ? 101 GLN C CA 1 ATOM 3786 C C . GLN C 1 104 ? 27.170 13.655 -69.948 1.00 50.24 ? 101 GLN C C 1 ATOM 3787 O O . GLN C 1 104 ? 25.947 13.526 -70.027 1.00 48.71 ? 101 GLN C O 1 ATOM 3788 C CB . GLN C 1 104 ? 28.083 12.630 -67.807 1.00 50.96 ? 101 GLN C CB 1 ATOM 3789 C CG . GLN C 1 104 ? 29.573 12.318 -67.626 1.00 61.12 ? 101 GLN C CG 1 ATOM 3790 C CD . GLN C 1 104 ? 30.416 13.471 -67.131 1.00 73.16 ? 101 GLN C CD 1 ATOM 3791 O OE1 . GLN C 1 104 ? 30.117 14.128 -66.130 1.00 68.76 ? 101 GLN C OE1 1 ATOM 3792 N NE2 . GLN C 1 104 ? 31.514 13.715 -67.813 1.00 64.63 ? 101 GLN C NE2 1 ATOM 3793 N N . PRO C 1 105 ? 27.984 13.590 -71.045 1.00 45.70 ? 102 PRO C N 1 ATOM 3794 C CA . PRO C 1 105 ? 27.403 13.394 -72.394 1.00 43.21 ? 102 PRO C CA 1 ATOM 3795 C C . PRO C 1 105 ? 26.631 12.081 -72.582 1.00 45.58 ? 102 PRO C C 1 ATOM 3796 O O . PRO C 1 105 ? 27.181 10.985 -72.425 1.00 44.86 ? 102 PRO C O 1 ATOM 3797 C CB . PRO C 1 105 ? 28.619 13.450 -73.335 1.00 44.08 ? 102 PRO C CB 1 ATOM 3798 C CG . PRO C 1 105 ? 29.712 14.050 -72.551 1.00 50.76 ? 102 PRO C CG 1 ATOM 3799 C CD . PRO C 1 105 ? 29.454 13.745 -71.110 1.00 47.93 ? 102 PRO C CD 1 ATOM 3800 N N . ASN C 1 106 ? 25.337 12.212 -72.936 1.00 40.85 ? 103 ASN C N 1 ATOM 3801 C CA . ASN C 1 106 ? 24.425 11.095 -73.173 1.00 38.21 ? 103 ASN C CA 1 ATOM 3802 C C . ASN C 1 106 ? 23.621 11.325 -74.464 1.00 40.12 ? 103 ASN C C 1 ATOM 3803 O O . ASN C 1 106 ? 23.701 12.403 -75.061 1.00 39.81 ? 103 ASN C O 1 ATOM 3804 C CB . ASN C 1 106 ? 23.488 10.903 -71.964 1.00 38.23 ? 103 ASN C CB 1 ATOM 3805 C CG . ASN C 1 106 ? 23.024 9.477 -71.719 1.00 48.46 ? 103 ASN C CG 1 ATOM 3806 O OD1 . ASN C 1 106 ? 22.684 8.713 -72.640 1.00 35.52 ? 103 ASN C OD1 1 ATOM 3807 N ND2 . ASN C 1 106 ? 22.946 9.101 -70.452 1.00 39.54 ? 103 ASN C ND2 1 ATOM 3808 N N . THR C 1 107 ? 22.873 10.299 -74.899 1.00 35.19 ? 104 THR C N 1 ATOM 3809 C CA . THR C 1 107 ? 22.037 10.336 -76.090 1.00 33.60 ? 104 THR C CA 1 ATOM 3810 C C . THR C 1 107 ? 20.640 9.816 -75.763 1.00 38.72 ? 104 THR C C 1 ATOM 3811 O O . THR C 1 107 ? 20.484 8.755 -75.149 1.00 37.77 ? 104 THR C O 1 ATOM 3812 C CB . THR C 1 107 ? 22.663 9.515 -77.252 1.00 36.40 ? 104 THR C CB 1 ATOM 3813 O OG1 . THR C 1 107 ? 24.071 9.743 -77.329 1.00 35.61 ? 104 THR C OG1 1 ATOM 3814 C CG2 . THR C 1 107 ? 22.017 9.818 -78.605 1.00 31.77 ? 104 THR C CG2 1 ATOM 3815 N N . LEU C 1 108 ? 19.629 10.573 -76.192 1.00 36.52 ? 105 LEU C N 1 ATOM 3816 C CA . LEU C 1 108 ? 18.228 10.196 -76.080 1.00 36.17 ? 105 LEU C CA 1 ATOM 3817 C C . LEU C 1 108 ? 17.823 9.505 -77.365 1.00 37.46 ? 105 LEU C C 1 ATOM 3818 O O . LEU C 1 108 ? 18.145 9.996 -78.452 1.00 35.34 ? 105 LEU C O 1 ATOM 3819 C CB . LEU C 1 108 ? 17.340 11.410 -75.792 1.00 37.88 ? 105 LEU C CB 1 ATOM 3820 C CG . LEU C 1 108 ? 16.798 11.482 -74.375 1.00 44.69 ? 105 LEU C CG 1 ATOM 3821 C CD1 . LEU C 1 108 ? 16.071 12.767 -74.165 1.00 46.52 ? 105 LEU C CD1 1 ATOM 3822 C CD2 . LEU C 1 108 ? 15.872 10.303 -74.062 1.00 46.83 ? 105 LEU C CD2 1 ATOM 3823 N N . ILE C 1 109 ? 17.179 8.337 -77.248 1.00 33.74 ? 106 ILE C N 1 ATOM 3824 C CA . ILE C 1 109 ? 16.804 7.525 -78.411 1.00 31.67 ? 106 ILE C CA 1 ATOM 3825 C C . ILE C 1 109 ? 15.278 7.450 -78.558 1.00 37.31 ? 106 ILE C C 1 ATOM 3826 O O . ILE C 1 109 ? 14.588 7.031 -77.626 1.00 38.18 ? 106 ILE C O 1 ATOM 3827 C CB . ILE C 1 109 ? 17.443 6.099 -78.341 1.00 32.80 ? 106 ILE C CB 1 ATOM 3828 C CG1 . ILE C 1 109 ? 18.972 6.166 -78.114 1.00 32.70 ? 106 ILE C CG1 1 ATOM 3829 C CG2 . ILE C 1 109 ? 17.091 5.277 -79.580 1.00 30.28 ? 106 ILE C CG2 1 ATOM 3830 C CD1 . ILE C 1 109 ? 19.632 4.851 -77.778 1.00 35.97 ? 106 ILE C CD1 1 ATOM 3831 N N . CYS C 1 110 ? 14.772 7.840 -79.742 1.00 33.92 ? 107 CYS C N 1 ATOM 3832 C CA . CYS C 1 110 ? 13.353 7.776 -80.072 1.00 34.46 ? 107 CYS C CA 1 ATOM 3833 C C . CYS C 1 110 ? 13.134 6.753 -81.174 1.00 35.60 ? 107 CYS C C 1 ATOM 3834 O O . CYS C 1 110 ? 13.441 7.015 -82.342 1.00 33.82 ? 107 CYS C O 1 ATOM 3835 C CB . CYS C 1 110 ? 12.802 9.142 -80.466 1.00 36.44 ? 107 CYS C CB 1 ATOM 3836 S SG . CYS C 1 110 ? 11.006 9.171 -80.709 1.00 41.22 ? 107 CYS C SG 1 ATOM 3837 N N . LEU C 1 111 ? 12.613 5.581 -80.793 1.00 31.17 ? 108 LEU C N 1 ATOM 3838 C CA . LEU C 1 111 ? 12.307 4.520 -81.737 1.00 28.44 ? 108 LEU C CA 1 ATOM 3839 C C . LEU C 1 111 ? 10.850 4.651 -82.180 1.00 30.31 ? 108 LEU C C 1 ATOM 3840 O O . LEU C 1 111 ? 9.941 4.602 -81.353 1.00 31.43 ? 108 LEU C O 1 ATOM 3841 C CB . LEU C 1 111 ? 12.604 3.125 -81.129 1.00 28.04 ? 108 LEU C CB 1 ATOM 3842 C CG . LEU C 1 111 ? 11.931 1.888 -81.774 1.00 30.94 ? 108 LEU C CG 1 ATOM 3843 C CD1 . LEU C 1 111 ? 12.641 1.447 -83.059 1.00 28.48 ? 108 LEU C CD1 1 ATOM 3844 C CD2 . LEU C 1 111 ? 11.872 0.744 -80.791 1.00 34.35 ? 108 LEU C CD2 1 ATOM 3845 N N . VAL C 1 112 ? 10.646 4.848 -83.492 1.00 23.64 ? 109 VAL C N 1 ATOM 3846 C CA . VAL C 1 112 ? 9.324 4.918 -84.113 1.00 22.38 ? 109 VAL C CA 1 ATOM 3847 C C . VAL C 1 112 ? 9.201 3.647 -84.938 1.00 25.03 ? 109 VAL C C 1 ATOM 3848 O O . VAL C 1 112 ? 9.913 3.484 -85.930 1.00 23.75 ? 109 VAL C O 1 ATOM 3849 C CB . VAL C 1 112 ? 9.066 6.206 -84.939 1.00 25.49 ? 109 VAL C CB 1 ATOM 3850 C CG1 . VAL C 1 112 ? 7.595 6.301 -85.354 1.00 25.29 ? 109 VAL C CG1 1 ATOM 3851 C CG2 . VAL C 1 112 ? 9.488 7.455 -84.173 1.00 26.63 ? 109 VAL C CG2 1 ATOM 3852 N N . ASP C 1 113 ? 8.375 2.708 -84.471 1.00 21.25 ? 110 ASP C N 1 ATOM 3853 C CA . ASP C 1 113 ? 8.176 1.416 -85.115 1.00 19.67 ? 110 ASP C CA 1 ATOM 3854 C C . ASP C 1 113 ? 6.821 1.364 -85.844 1.00 23.65 ? 110 ASP C C 1 ATOM 3855 O O . ASP C 1 113 ? 5.951 2.189 -85.571 1.00 23.96 ? 110 ASP C O 1 ATOM 3856 C CB . ASP C 1 113 ? 8.282 0.310 -84.057 1.00 21.95 ? 110 ASP C CB 1 ATOM 3857 C CG . ASP C 1 113 ? 8.547 -1.087 -84.582 1.00 33.34 ? 110 ASP C CG 1 ATOM 3858 O OD1 . ASP C 1 113 ? 8.775 -1.234 -85.803 1.00 30.91 ? 110 ASP C OD1 1 ATOM 3859 O OD2 . ASP C 1 113 ? 8.550 -2.035 -83.764 1.00 43.80 -1 110 ASP C OD2 1 ATOM 3860 N N . ASN C 1 114 ? 6.662 0.395 -86.787 1.00 18.75 ? 111 ASN C N 1 ATOM 3861 C CA . ASN C 1 114 ? 5.466 0.156 -87.611 1.00 18.19 ? 111 ASN C CA 1 ATOM 3862 C C . ASN C 1 114 ? 5.117 1.409 -88.458 1.00 20.75 ? 111 ASN C C 1 ATOM 3863 O O . ASN C 1 114 ? 4.003 1.941 -88.398 1.00 20.74 ? 111 ASN C O 1 ATOM 3864 C CB . ASN C 1 114 ? 4.261 -0.313 -86.748 1.00 20.10 ? 111 ASN C CB 1 ATOM 3865 C CG . ASN C 1 114 ? 3.083 -0.824 -87.547 1.00 38.78 ? 111 ASN C CG 1 ATOM 3866 O OD1 . ASN C 1 114 ? 3.195 -1.749 -88.356 1.00 31.41 ? 111 ASN C OD1 1 ATOM 3867 N ND2 . ASN C 1 114 ? 1.932 -0.213 -87.353 1.00 28.24 ? 111 ASN C ND2 1 ATOM 3868 N N . ILE C 1 115 ? 6.064 1.882 -89.225 1.00 16.44 ? 112 ILE C N 1 ATOM 3869 C CA . ILE C 1 115 ? 5.868 3.001 -90.103 1.00 16.05 ? 112 ILE C CA 1 ATOM 3870 C C . ILE C 1 115 ? 5.502 2.585 -91.521 1.00 19.14 ? 112 ILE C C 1 ATOM 3871 O O . ILE C 1 115 ? 6.248 1.936 -92.188 1.00 18.17 ? 112 ILE C O 1 ATOM 3872 C CB . ILE C 1 115 ? 7.107 3.911 -90.140 1.00 18.48 ? 112 ILE C CB 1 ATOM 3873 C CG1 . ILE C 1 115 ? 7.517 4.344 -88.759 1.00 18.80 ? 112 ILE C CG1 1 ATOM 3874 C CG2 . ILE C 1 115 ? 6.901 5.099 -91.032 1.00 20.00 ? 112 ILE C CG2 1 ATOM 3875 C CD1 . ILE C 1 115 ? 8.829 5.022 -88.761 1.00 22.03 ? 112 ILE C CD1 1 ATOM 3876 N N . PHE C 1 116 ? 4.302 2.923 -91.925 1.00 15.74 ? 113 PHE C N 1 ATOM 3877 C CA . PHE C 1 116 ? 3.888 2.923 -93.309 1.00 14.95 ? 113 PHE C CA 1 ATOM 3878 C C . PHE C 1 116 ? 2.763 3.931 -93.619 1.00 21.71 ? 113 PHE C C 1 ATOM 3879 O O . PHE C 1 116 ? 1.806 3.970 -92.903 1.00 23.15 ? 113 PHE C O 1 ATOM 3880 C CB . PHE C 1 116 ? 3.512 1.516 -93.765 1.00 15.41 ? 113 PHE C CB 1 ATOM 3881 C CG . PHE C 1 116 ? 3.669 1.322 -95.211 1.00 15.22 ? 113 PHE C CG 1 ATOM 3882 C CD1 . PHE C 1 116 ? 4.884 1.013 -95.739 1.00 16.05 ? 113 PHE C CD1 1 ATOM 3883 C CD2 . PHE C 1 116 ? 2.610 1.480 -96.050 1.00 17.30 ? 113 PHE C CD2 1 ATOM 3884 C CE1 . PHE C 1 116 ? 5.038 0.862 -97.076 1.00 15.69 ? 113 PHE C CE1 1 ATOM 3885 C CE2 . PHE C 1 116 ? 2.765 1.340 -97.388 1.00 18.81 ? 113 PHE C CE2 1 ATOM 3886 C CZ . PHE C 1 116 ? 3.976 1.021 -97.904 1.00 15.23 ? 113 PHE C CZ 1 ATOM 3887 N N . PRO C 1 117 ? 2.818 4.753 -94.769 1.00 19.06 ? 114 PRO C N 1 ATOM 3888 C CA . PRO C 1 117 ? 4.047 4.669 -95.571 1.00 17.96 ? 114 PRO C CA 1 ATOM 3889 C C . PRO C 1 117 ? 5.296 5.316 -94.983 1.00 22.46 ? 114 PRO C C 1 ATOM 3890 O O . PRO C 1 117 ? 5.208 5.864 -93.921 1.00 22.18 ? 114 PRO C O 1 ATOM 3891 C CB . PRO C 1 117 ? 3.715 5.436 -96.832 1.00 19.73 ? 114 PRO C CB 1 ATOM 3892 C CG . PRO C 1 117 ? 2.296 5.620 -96.852 1.00 25.42 ? 114 PRO C CG 1 ATOM 3893 C CD . PRO C 1 117 ? 1.942 5.805 -95.472 1.00 22.06 ? 114 PRO C CD 1 ATOM 3894 N N . PRO C 1 118 ? 6.441 5.248 -95.670 1.00 18.27 ? 115 PRO C N 1 ATOM 3895 C CA . PRO C 1 118 ? 7.642 5.829 -95.039 1.00 18.02 ? 115 PRO C CA 1 ATOM 3896 C C . PRO C 1 118 ? 7.759 7.346 -95.249 1.00 23.01 ? 115 PRO C C 1 ATOM 3897 O O . PRO C 1 118 ? 8.596 7.828 -96.012 1.00 23.94 ? 115 PRO C O 1 ATOM 3898 C CB . PRO C 1 118 ? 8.789 5.052 -95.688 1.00 18.46 ? 115 PRO C CB 1 ATOM 3899 C CG . PRO C 1 118 ? 8.255 4.674 -97.027 1.00 21.88 ? 115 PRO C CG 1 ATOM 3900 C CD . PRO C 1 118 ? 6.780 4.512 -96.909 1.00 18.15 ? 115 PRO C CD 1 ATOM 3901 N N . VAL C 1 119 ? 6.904 8.089 -94.542 1.00 19.41 ? 116 VAL C N 1 ATOM 3902 C CA . VAL C 1 119 ? 6.812 9.550 -94.464 1.00 20.32 ? 116 VAL C CA 1 ATOM 3903 C C . VAL C 1 119 ? 6.547 9.852 -92.991 1.00 25.93 ? 116 VAL C C 1 ATOM 3904 O O . VAL C 1 119 ? 5.506 9.449 -92.477 1.00 26.89 ? 116 VAL C O 1 ATOM 3905 C CB . VAL C 1 119 ? 5.725 10.145 -95.414 1.00 24.26 ? 116 VAL C CB 1 ATOM 3906 C CG1 . VAL C 1 119 ? 5.508 11.641 -95.161 1.00 25.29 ? 116 VAL C CG1 1 ATOM 3907 C CG2 . VAL C 1 119 ? 6.065 9.898 -96.877 1.00 22.99 ? 116 VAL C CG2 1 ATOM 3908 N N . VAL C 1 120 ? 7.499 10.494 -92.290 1.00 22.91 ? 117 VAL C N 1 ATOM 3909 C CA . VAL C 1 120 ? 7.343 10.772 -90.856 1.00 24.03 ? 117 VAL C CA 1 ATOM 3910 C C . VAL C 1 120 ? 8.159 12.011 -90.440 1.00 31.27 ? 117 VAL C C 1 ATOM 3911 O O . VAL C 1 120 ? 9.179 12.314 -91.057 1.00 30.93 ? 117 VAL C O 1 ATOM 3912 C CB . VAL C 1 120 ? 7.702 9.510 -89.992 1.00 26.60 ? 117 VAL C CB 1 ATOM 3913 C CG1 . VAL C 1 120 ? 9.211 9.244 -89.926 1.00 25.37 ? 117 VAL C CG1 1 ATOM 3914 C CG2 . VAL C 1 120 ? 7.087 9.577 -88.597 1.00 27.61 ? 117 VAL C CG2 1 ATOM 3915 N N . ASN C 1 121 ? 7.685 12.720 -89.392 1.00 30.43 ? 118 ASN C N 1 ATOM 3916 C CA . ASN C 1 121 ? 8.365 13.858 -88.787 1.00 31.77 ? 118 ASN C CA 1 ATOM 3917 C C . ASN C 1 121 ? 8.723 13.517 -87.358 1.00 35.72 ? 118 ASN C C 1 ATOM 3918 O O . ASN C 1 121 ? 7.834 13.429 -86.514 1.00 36.47 ? 118 ASN C O 1 ATOM 3919 C CB . ASN C 1 121 ? 7.517 15.133 -88.831 1.00 36.17 ? 118 ASN C CB 1 ATOM 3920 C CG . ASN C 1 121 ? 7.355 15.756 -90.186 1.00 72.33 ? 118 ASN C CG 1 ATOM 3921 O OD1 . ASN C 1 121 ? 8.101 15.466 -91.135 1.00 68.18 ? 118 ASN C OD1 1 ATOM 3922 N ND2 . ASN C 1 121 ? 6.371 16.646 -90.282 1.00 71.27 ? 118 ASN C ND2 1 ATOM 3923 N N . ILE C 1 122 ? 10.010 13.290 -87.086 1.00 31.06 ? 119 ILE C N 1 ATOM 3924 C CA . ILE C 1 122 ? 10.469 13.007 -85.734 1.00 31.39 ? 119 ILE C CA 1 ATOM 3925 C C . ILE C 1 122 ? 11.291 14.199 -85.272 1.00 36.26 ? 119 ILE C C 1 ATOM 3926 O O . ILE C 1 122 ? 12.352 14.487 -85.834 1.00 35.18 ? 119 ILE C O 1 ATOM 3927 C CB . ILE C 1 122 ? 11.227 11.667 -85.571 1.00 32.87 ? 119 ILE C CB 1 ATOM 3928 C CG1 . ILE C 1 122 ? 10.519 10.510 -86.306 1.00 31.49 ? 119 ILE C CG1 1 ATOM 3929 C CG2 . ILE C 1 122 ? 11.391 11.351 -84.085 1.00 34.59 ? 119 ILE C CG2 1 ATOM 3930 C CD1 . ILE C 1 122 ? 11.449 9.383 -86.732 1.00 35.14 ? 119 ILE C CD1 1 ATOM 3931 N N . THR C 1 123 ? 10.758 14.919 -84.279 1.00 34.42 ? 120 THR C N 1 ATOM 3932 C CA . THR C 1 123 ? 11.387 16.104 -83.697 1.00 36.10 ? 120 THR C CA 1 ATOM 3933 C C . THR C 1 123 ? 11.479 15.945 -82.174 1.00 40.49 ? 120 THR C C 1 ATOM 3934 O O . THR C 1 123 ? 10.815 15.076 -81.593 1.00 40.06 ? 120 THR C O 1 ATOM 3935 C CB . THR C 1 123 ? 10.630 17.390 -84.099 1.00 46.39 ? 120 THR C CB 1 ATOM 3936 O OG1 . THR C 1 123 ? 9.293 17.342 -83.596 1.00 47.06 ? 120 THR C OG1 1 ATOM 3937 C CG2 . THR C 1 123 ? 10.649 17.656 -85.614 1.00 42.92 ? 120 THR C CG2 1 ATOM 3938 N N . TRP C 1 124 ? 12.306 16.784 -81.538 1.00 37.29 ? 121 TRP C N 1 ATOM 3939 C CA . TRP C 1 124 ? 12.525 16.752 -80.101 1.00 38.70 ? 121 TRP C CA 1 ATOM 3940 C C . TRP C 1 124 ? 12.153 18.070 -79.438 1.00 47.58 ? 121 TRP C C 1 ATOM 3941 O O . TRP C 1 124 ? 12.319 19.142 -80.025 1.00 47.87 ? 121 TRP C O 1 ATOM 3942 C CB . TRP C 1 124 ? 13.994 16.436 -79.800 1.00 36.60 ? 121 TRP C CB 1 ATOM 3943 C CG . TRP C 1 124 ? 14.411 15.033 -80.113 1.00 34.92 ? 121 TRP C CG 1 ATOM 3944 C CD1 . TRP C 1 124 ? 15.011 14.589 -81.254 1.00 35.76 ? 121 TRP C CD1 1 ATOM 3945 C CD2 . TRP C 1 124 ? 14.325 13.903 -79.236 1.00 34.33 ? 121 TRP C CD2 1 ATOM 3946 N NE1 . TRP C 1 124 ? 15.299 13.246 -81.147 1.00 33.49 ? 121 TRP C NE1 1 ATOM 3947 C CE2 . TRP C 1 124 ? 14.899 12.802 -79.913 1.00 35.78 ? 121 TRP C CE2 1 ATOM 3948 C CE3 . TRP C 1 124 ? 13.817 13.712 -77.939 1.00 36.97 ? 121 TRP C CE3 1 ATOM 3949 C CZ2 . TRP C 1 124 ? 14.994 11.533 -79.332 1.00 34.25 ? 121 TRP C CZ2 1 ATOM 3950 C CZ3 . TRP C 1 124 ? 13.889 12.446 -77.375 1.00 37.70 ? 121 TRP C CZ3 1 ATOM 3951 C CH2 . TRP C 1 124 ? 14.473 11.374 -78.070 1.00 36.11 ? 121 TRP C CH2 1 ATOM 3952 N N . LEU C 1 125 ? 11.680 17.980 -78.193 1.00 47.43 ? 122 LEU C N 1 ATOM 3953 C CA . LEU C 1 125 ? 11.316 19.132 -77.377 1.00 50.91 ? 122 LEU C CA 1 ATOM 3954 C C . LEU C 1 125 ? 11.993 19.048 -76.012 1.00 57.25 ? 122 LEU C C 1 ATOM 3955 O O . LEU C 1 125 ? 12.079 17.966 -75.429 1.00 55.55 ? 122 LEU C O 1 ATOM 3956 C CB . LEU C 1 125 ? 9.785 19.241 -77.203 1.00 52.11 ? 122 LEU C CB 1 ATOM 3957 C CG . LEU C 1 125 ? 8.956 19.444 -78.473 1.00 56.10 ? 122 LEU C CG 1 ATOM 3958 C CD1 . LEU C 1 125 ? 7.713 18.595 -78.445 1.00 55.90 ? 122 LEU C CD1 1 ATOM 3959 C CD2 . LEU C 1 125 ? 8.576 20.891 -78.656 1.00 60.69 ? 122 LEU C CD2 1 ATOM 3960 N N . SER C 1 126 ? 12.492 20.187 -75.520 1.00 57.61 ? 123 SER C N 1 ATOM 3961 C CA . SER C 1 126 ? 13.072 20.328 -74.183 1.00 60.05 ? 123 SER C CA 1 ATOM 3962 C C . SER C 1 126 ? 12.311 21.442 -73.485 1.00 68.21 ? 123 SER C C 1 ATOM 3963 O O . SER C 1 126 ? 12.325 22.587 -73.954 1.00 69.14 ? 123 SER C O 1 ATOM 3964 C CB . SER C 1 126 ? 14.571 20.602 -74.234 1.00 63.73 ? 123 SER C CB 1 ATOM 3965 O OG . SER C 1 126 ? 15.134 20.545 -72.932 1.00 74.33 ? 123 SER C OG 1 ATOM 3966 N N . ASN C 1 127 ? 11.567 21.074 -72.416 1.00 66.71 ? 124 ASN C N 1 ATOM 3967 C CA . ASN C 1 127 ? 10.700 21.946 -71.610 1.00 69.59 ? 124 ASN C CA 1 ATOM 3968 C C . ASN C 1 127 ? 9.578 22.571 -72.490 1.00 74.10 ? 124 ASN C C 1 ATOM 3969 O O . ASN C 1 127 ? 9.205 23.729 -72.297 1.00 76.45 ? 124 ASN C O 1 ATOM 3970 C CB . ASN C 1 127 ? 11.514 23.027 -70.870 1.00 72.68 ? 124 ASN C CB 1 ATOM 3971 C CG . ASN C 1 127 ? 12.515 22.490 -69.878 1.00 93.64 ? 124 ASN C CG 1 ATOM 3972 O OD1 . ASN C 1 127 ? 12.169 22.061 -68.772 1.00 88.97 ? 124 ASN C OD1 1 ATOM 3973 N ND2 . ASN C 1 127 ? 13.789 22.560 -70.229 1.00 83.98 ? 124 ASN C ND2 1 ATOM 3974 N N . GLY C 1 128 ? 9.068 21.787 -73.444 1.00 68.33 ? 125 GLY C N 1 ATOM 3975 C CA . GLY C 1 128 ? 8.002 22.189 -74.359 1.00 68.14 ? 125 GLY C CA 1 ATOM 3976 C C . GLY C 1 128 ? 8.416 22.948 -75.608 1.00 72.07 ? 125 GLY C C 1 ATOM 3977 O O . GLY C 1 128 ? 7.561 23.245 -76.447 1.00 71.38 ? 125 GLY C O 1 ATOM 3978 N N . HIS C 1 129 ? 9.717 23.277 -75.749 1.00 69.12 ? 126 HIS C N 1 ATOM 3979 C CA . HIS C 1 129 ? 10.234 24.024 -76.901 1.00 68.89 ? 126 HIS C CA 1 ATOM 3980 C C . HIS C 1 129 ? 11.147 23.150 -77.753 1.00 70.80 ? 126 HIS C C 1 ATOM 3981 O O . HIS C 1 129 ? 11.908 22.351 -77.209 1.00 69.54 ? 126 HIS C O 1 ATOM 3982 C CB . HIS C 1 129 ? 10.964 25.297 -76.445 1.00 72.51 ? 126 HIS C CB 1 ATOM 3983 C CG . HIS C 1 129 ? 10.084 26.271 -75.719 1.00 79.12 ? 126 HIS C CG 1 ATOM 3984 N ND1 . HIS C 1 129 ? 10.300 26.586 -74.386 1.00 83.49 ? 126 HIS C ND1 1 ATOM 3985 C CD2 . HIS C 1 129 ? 9.005 26.962 -76.160 1.00 81.93 ? 126 HIS C CD2 1 ATOM 3986 C CE1 . HIS C 1 129 ? 9.356 27.457 -74.063 1.00 85.37 ? 126 HIS C CE1 1 ATOM 3987 N NE2 . HIS C 1 129 ? 8.550 27.712 -75.095 1.00 84.91 ? 126 HIS C NE2 1 ATOM 3988 N N . SER C 1 130 ? 11.066 23.302 -79.088 1.00 67.05 ? 127 SER C N 1 ATOM 3989 C CA . SER C 1 130 ? 11.810 22.492 -80.060 1.00 64.61 ? 127 SER C CA 1 ATOM 3990 C C . SER C 1 130 ? 13.338 22.648 -79.971 1.00 69.06 ? 127 SER C C 1 ATOM 3991 O O . SER C 1 130 ? 13.852 23.747 -79.759 1.00 70.53 ? 127 SER C O 1 ATOM 3992 C CB . SER C 1 130 ? 11.345 22.779 -81.487 1.00 67.68 ? 127 SER C CB 1 ATOM 3993 O OG . SER C 1 130 ? 11.666 24.092 -81.916 1.00 80.68 ? 127 SER C OG 1 ATOM 3994 N N . VAL C 1 131 ? 14.042 21.510 -80.142 1.00 64.06 ? 128 VAL C N 1 ATOM 3995 C CA . VAL C 1 131 ? 15.502 21.355 -80.143 1.00 63.68 ? 128 VAL C CA 1 ATOM 3996 C C . VAL C 1 131 ? 15.933 20.931 -81.547 1.00 65.35 ? 128 VAL C C 1 ATOM 3997 O O . VAL C 1 131 ? 15.395 19.956 -82.079 1.00 63.30 ? 128 VAL C O 1 ATOM 3998 C CB . VAL C 1 131 ? 15.996 20.326 -79.082 1.00 67.34 ? 128 VAL C CB 1 ATOM 3999 C CG1 . VAL C 1 131 ? 17.499 20.453 -78.845 1.00 67.62 ? 128 VAL C CG1 1 ATOM 4000 C CG2 . VAL C 1 131 ? 15.236 20.454 -77.771 1.00 69.14 ? 128 VAL C CG2 1 ATOM 4001 N N . THR C 1 132 ? 16.895 21.645 -82.145 1.00 61.99 ? 129 THR C N 1 ATOM 4002 C CA . THR C 1 132 ? 17.391 21.316 -83.489 1.00 59.48 ? 129 THR C CA 1 ATOM 4003 C C . THR C 1 132 ? 18.857 20.871 -83.441 1.00 61.12 ? 129 THR C C 1 ATOM 4004 O O . THR C 1 132 ? 19.251 19.994 -84.217 1.00 58.67 ? 129 THR C O 1 ATOM 4005 C CB . THR C 1 132 ? 17.202 22.493 -84.459 1.00 68.34 ? 129 THR C CB 1 ATOM 4006 O OG1 . THR C 1 132 ? 17.606 23.714 -83.825 1.00 69.09 ? 129 THR C OG1 1 ATOM 4007 C CG2 . THR C 1 132 ? 15.772 22.598 -84.975 1.00 66.44 ? 129 THR C CG2 1 ATOM 4008 N N . GLU C 1 133 ? 19.654 21.473 -82.532 1.00 58.29 ? 130 GLU C N 1 ATOM 4009 C CA . GLU C 1 133 ? 21.078 21.183 -82.350 1.00 57.31 ? 130 GLU C CA 1 ATOM 4010 C C . GLU C 1 133 ? 21.284 19.833 -81.655 1.00 57.10 ? 130 GLU C C 1 ATOM 4011 O O . GLU C 1 133 ? 20.656 19.565 -80.626 1.00 57.50 ? 130 GLU C O 1 ATOM 4012 C CB . GLU C 1 133 ? 21.768 22.306 -81.545 1.00 61.72 ? 130 GLU C CB 1 ATOM 4013 C CG . GLU C 1 133 ? 21.781 23.672 -82.222 1.00 76.56 ? 130 GLU C CG 1 ATOM 4014 C CD . GLU C 1 133 ? 22.583 23.791 -83.506 1.00 102.42 ? 130 GLU C CD 1 ATOM 4015 O OE1 . GLU C 1 133 ? 23.778 23.413 -83.508 1.00 98.02 ? 130 GLU C OE1 1 ATOM 4016 O OE2 . GLU C 1 133 ? 22.028 24.316 -84.498 1.00 100.00 -1 130 GLU C OE2 1 ATOM 4017 N N . GLY C 1 134 ? 22.166 19.012 -82.223 1.00 49.52 ? 131 GLY C N 1 ATOM 4018 C CA . GLY C 1 134 ? 22.497 17.689 -81.704 1.00 47.32 ? 131 GLY C CA 1 ATOM 4019 C C . GLY C 1 134 ? 21.523 16.589 -82.081 1.00 48.01 ? 131 GLY C C 1 ATOM 4020 O O . GLY C 1 134 ? 21.585 15.489 -81.524 1.00 46.36 ? 131 GLY C O 1 ATOM 4021 N N . VAL C 1 135 ? 20.623 16.870 -83.041 1.00 43.54 ? 132 VAL C N 1 ATOM 4022 C CA . VAL C 1 135 ? 19.621 15.908 -83.488 1.00 41.04 ? 132 VAL C CA 1 ATOM 4023 C C . VAL C 1 135 ? 20.098 15.218 -84.774 1.00 41.71 ? 132 VAL C C 1 ATOM 4024 O O . VAL C 1 135 ? 20.438 15.881 -85.755 1.00 41.43 ? 132 VAL C O 1 ATOM 4025 C CB . VAL C 1 135 ? 18.205 16.543 -83.652 1.00 45.54 ? 132 VAL C CB 1 ATOM 4026 C CG1 . VAL C 1 135 ? 17.227 15.582 -84.337 1.00 43.37 ? 132 VAL C CG1 1 ATOM 4027 C CG2 . VAL C 1 135 ? 17.645 17.002 -82.304 1.00 47.26 ? 132 VAL C CG2 1 ATOM 4028 N N . SER C 1 136 ? 20.113 13.877 -84.740 1.00 35.62 ? 133 SER C N 1 ATOM 4029 C CA . SER C 1 136 ? 20.446 12.988 -85.858 1.00 32.80 ? 133 SER C CA 1 ATOM 4030 C C . SER C 1 136 ? 19.415 11.859 -85.949 1.00 34.29 ? 133 SER C C 1 ATOM 4031 O O . SER C 1 136 ? 18.707 11.604 -84.983 1.00 33.86 ? 133 SER C O 1 ATOM 4032 C CB . SER C 1 136 ? 21.852 12.420 -85.700 1.00 35.55 ? 133 SER C CB 1 ATOM 4033 O OG . SER C 1 136 ? 21.990 11.719 -84.476 1.00 47.18 ? 133 SER C OG 1 ATOM 4034 N N . GLU C 1 137 ? 19.307 11.200 -87.105 1.00 29.09 ? 134 GLU C N 1 ATOM 4035 C CA . GLU C 1 137 ? 18.372 10.089 -87.255 1.00 27.46 ? 134 GLU C CA 1 ATOM 4036 C C . GLU C 1 137 ? 18.875 9.083 -88.285 1.00 29.88 ? 134 GLU C C 1 ATOM 4037 O O . GLU C 1 137 ? 19.684 9.420 -89.149 1.00 29.57 ? 134 GLU C O 1 ATOM 4038 C CB . GLU C 1 137 ? 16.934 10.560 -87.595 1.00 29.19 ? 134 GLU C CB 1 ATOM 4039 C CG . GLU C 1 137 ? 16.798 11.462 -88.813 1.00 41.88 ? 134 GLU C CG 1 ATOM 4040 C CD . GLU C 1 137 ? 15.380 11.810 -89.230 1.00 68.98 ? 134 GLU C CD 1 ATOM 4041 O OE1 . GLU C 1 137 ? 15.134 11.891 -90.455 1.00 69.59 ? 134 GLU C OE1 1 ATOM 4042 O OE2 . GLU C 1 137 ? 14.519 12.012 -88.343 1.00 66.15 -1 134 GLU C OE2 1 ATOM 4043 N N . THR C 1 138 ? 18.395 7.836 -88.173 1.00 24.78 ? 135 THR C N 1 ATOM 4044 C CA . THR C 1 138 ? 18.711 6.754 -89.102 1.00 22.22 ? 135 THR C CA 1 ATOM 4045 C C . THR C 1 138 ? 17.859 6.928 -90.341 1.00 24.61 ? 135 THR C C 1 ATOM 4046 O O . THR C 1 138 ? 16.960 7.766 -90.354 1.00 24.63 ? 135 THR C O 1 ATOM 4047 C CB . THR C 1 138 ? 18.420 5.376 -88.449 1.00 27.91 ? 135 THR C CB 1 ATOM 4048 O OG1 . THR C 1 138 ? 17.012 5.228 -88.250 1.00 23.89 ? 135 THR C OG1 1 ATOM 4049 C CG2 . THR C 1 138 ? 19.179 5.150 -87.145 1.00 29.58 ? 135 THR C CG2 1 ATOM 4050 N N . SER C 1 139 ? 18.080 6.091 -91.357 1.00 20.25 ? 136 SER C N 1 ATOM 4051 C CA . SER C 1 139 ? 17.199 6.047 -92.518 1.00 19.29 ? 136 SER C CA 1 ATOM 4052 C C . SER C 1 139 ? 15.932 5.294 -92.109 1.00 21.41 ? 136 SER C C 1 ATOM 4053 O O . SER C 1 139 ? 15.801 4.896 -90.942 1.00 21.05 ? 136 SER C O 1 ATOM 4054 C CB . SER C 1 139 ? 17.892 5.318 -93.670 1.00 21.30 ? 136 SER C CB 1 ATOM 4055 O OG . SER C 1 139 ? 18.690 6.207 -94.429 1.00 32.38 ? 136 SER C OG 1 ATOM 4056 N N . PHE C 1 140 ? 15.029 5.047 -93.062 1.00 16.45 ? 137 PHE C N 1 ATOM 4057 C CA . PHE C 1 140 ? 13.911 4.159 -92.814 1.00 15.80 ? 137 PHE C CA 1 ATOM 4058 C C . PHE C 1 140 ? 14.498 2.744 -92.841 1.00 19.93 ? 137 PHE C C 1 ATOM 4059 O O . PHE C 1 140 ? 15.053 2.320 -93.865 1.00 18.89 ? 137 PHE C O 1 ATOM 4060 C CB . PHE C 1 140 ? 12.778 4.352 -93.847 1.00 16.98 ? 137 PHE C CB 1 ATOM 4061 C CG . PHE C 1 140 ? 12.003 5.637 -93.672 1.00 19.45 ? 137 PHE C CG 1 ATOM 4062 C CD1 . PHE C 1 140 ? 11.040 5.759 -92.676 1.00 24.13 ? 137 PHE C CD1 1 ATOM 4063 C CD2 . PHE C 1 140 ? 12.234 6.726 -94.503 1.00 21.48 ? 137 PHE C CD2 1 ATOM 4064 C CE1 . PHE C 1 140 ? 10.316 6.946 -92.520 1.00 26.11 ? 137 PHE C CE1 1 ATOM 4065 C CE2 . PHE C 1 140 ? 11.520 7.919 -94.338 1.00 25.56 ? 137 PHE C CE2 1 ATOM 4066 C CZ . PHE C 1 140 ? 10.573 8.023 -93.342 1.00 24.94 ? 137 PHE C CZ 1 ATOM 4067 N N . LEU C 1 141 ? 14.507 2.070 -91.690 1.00 17.21 ? 138 LEU C N 1 ATOM 4068 C CA . LEU C 1 141 ? 15.022 0.696 -91.610 1.00 16.58 ? 138 LEU C CA 1 ATOM 4069 C C . LEU C 1 141 ? 13.882 -0.263 -91.943 1.00 19.34 ? 138 LEU C C 1 ATOM 4070 O O . LEU C 1 141 ? 12.777 -0.084 -91.444 1.00 19.62 ? 138 LEU C O 1 ATOM 4071 C CB . LEU C 1 141 ? 15.648 0.407 -90.244 1.00 17.54 ? 138 LEU C CB 1 ATOM 4072 C CG . LEU C 1 141 ? 17.073 0.946 -90.052 1.00 23.38 ? 138 LEU C CG 1 ATOM 4073 C CD1 . LEU C 1 141 ? 17.237 1.579 -88.689 1.00 24.68 ? 138 LEU C CD1 1 ATOM 4074 C CD2 . LEU C 1 141 ? 18.094 -0.164 -90.218 1.00 27.88 ? 138 LEU C CD2 1 ATOM 4075 N N . SER C 1 142 ? 14.130 -1.215 -92.854 1.00 14.89 ? 139 SER C N 1 ATOM 4076 C CA . SER C 1 142 ? 13.136 -2.170 -93.349 1.00 14.91 ? 139 SER C CA 1 ATOM 4077 C C . SER C 1 142 ? 12.747 -3.251 -92.320 1.00 20.34 ? 139 SER C C 1 ATOM 4078 O O . SER C 1 142 ? 13.515 -3.566 -91.411 1.00 21.26 ? 139 SER C O 1 ATOM 4079 C CB . SER C 1 142 ? 13.641 -2.843 -94.625 1.00 17.66 ? 139 SER C CB 1 ATOM 4080 O OG . SER C 1 142 ? 14.501 -3.932 -94.335 1.00 25.94 ? 139 SER C OG 1 ATOM 4081 N N . LYS C 1 143 ? 11.550 -3.830 -92.513 1.00 16.73 ? 140 LYS C N 1 ATOM 4082 C CA . LYS C 1 143 ? 10.972 -4.902 -91.694 1.00 16.55 ? 140 LYS C CA 1 ATOM 4083 C C . LYS C 1 143 ? 10.436 -6.011 -92.585 1.00 19.98 ? 140 LYS C C 1 ATOM 4084 O O . LYS C 1 143 ? 10.024 -5.738 -93.709 1.00 19.25 ? 140 LYS C O 1 ATOM 4085 C CB . LYS C 1 143 ? 9.845 -4.361 -90.793 1.00 18.54 ? 140 LYS C CB 1 ATOM 4086 C CG . LYS C 1 143 ? 10.344 -3.497 -89.641 1.00 18.60 ? 140 LYS C CG 1 ATOM 4087 C CD . LYS C 1 143 ? 9.211 -2.978 -88.785 1.00 23.80 ? 140 LYS C CD 1 ATOM 4088 C CE . LYS C 1 143 ? 8.778 -3.977 -87.740 1.00 33.11 ? 140 LYS C CE 1 ATOM 4089 N NZ . LYS C 1 143 ? 7.593 -3.489 -86.994 1.00 42.22 1 140 LYS C NZ 1 ATOM 4090 N N . SER C 1 144 ? 10.387 -7.249 -92.058 1.00 16.89 ? 141 SER C N 1 ATOM 4091 C CA . SER C 1 144 ? 9.858 -8.449 -92.722 1.00 17.10 ? 141 SER C CA 1 ATOM 4092 C C . SER C 1 144 ? 8.431 -8.284 -93.264 1.00 22.31 ? 141 SER C C 1 ATOM 4093 O O . SER C 1 144 ? 8.083 -8.929 -94.253 1.00 22.74 ? 141 SER C O 1 ATOM 4094 C CB . SER C 1 144 ? 9.856 -9.618 -91.751 1.00 21.19 ? 141 SER C CB 1 ATOM 4095 O OG . SER C 1 144 ? 11.149 -10.189 -91.696 1.00 33.62 ? 141 SER C OG 1 ATOM 4096 N N . ASP C 1 145 ? 7.660 -7.427 -92.625 1.00 18.81 ? 142 ASP C N 1 ATOM 4097 C CA . ASP C 1 145 ? 6.327 -7.140 -93.032 1.00 18.56 ? 142 ASP C CA 1 ATOM 4098 C C . ASP C 1 145 ? 6.183 -6.011 -94.027 1.00 20.81 ? 142 ASP C C 1 ATOM 4099 O O . ASP C 1 145 ? 5.118 -5.695 -94.402 1.00 21.40 ? 142 ASP C O 1 ATOM 4100 C CB . ASP C 1 145 ? 5.414 -6.964 -91.818 1.00 21.66 ? 142 ASP C CB 1 ATOM 4101 C CG . ASP C 1 145 ? 5.761 -5.792 -90.958 1.00 26.90 ? 142 ASP C CG 1 ATOM 4102 O OD1 . ASP C 1 145 ? 6.583 -4.960 -91.257 1.00 26.10 ? 142 ASP C OD1 1 ATOM 4103 O OD2 . ASP C 1 145 ? 5.161 -5.702 -89.930 1.00 31.20 -1 142 ASP C OD2 1 ATOM 4104 N N . HIS C 1 146 ? 7.293 -5.445 -94.466 1.00 15.37 ? 143 HIS C N 1 ATOM 4105 C CA . HIS C 1 146 ? 7.326 -4.414 -95.477 1.00 14.55 ? 143 HIS C CA 1 ATOM 4106 C C . HIS C 1 146 ? 6.876 -3.042 -95.022 1.00 18.22 ? 143 HIS C C 1 ATOM 4107 O O . HIS C 1 146 ? 6.674 -2.170 -95.805 1.00 18.28 ? 143 HIS C O 1 ATOM 4108 C CB . HIS C 1 146 ? 6.636 -4.875 -96.737 1.00 14.99 ? 143 HIS C CB 1 ATOM 4109 C CG . HIS C 1 146 ? 7.128 -6.190 -97.223 1.00 17.82 ? 143 HIS C CG 1 ATOM 4110 N ND1 . HIS C 1 146 ? 8.441 -6.561 -97.142 1.00 19.05 ? 143 HIS C ND1 1 ATOM 4111 C CD2 . HIS C 1 146 ? 6.479 -7.244 -97.739 1.00 19.23 ? 143 HIS C CD2 1 ATOM 4112 C CE1 . HIS C 1 146 ? 8.582 -7.778 -97.605 1.00 17.96 ? 143 HIS C CE1 1 ATOM 4113 N NE2 . HIS C 1 146 ? 7.407 -8.209 -97.989 1.00 18.55 ? 143 HIS C NE2 1 ATOM 4114 N N . SER C 1 147 ? 6.769 -2.908 -93.718 1.00 14.34 ? 144 SER C N 1 ATOM 4115 C CA . SER C 1 147 ? 6.754 -1.664 -93.010 1.00 14.02 ? 144 SER C CA 1 ATOM 4116 C C . SER C 1 147 ? 8.186 -1.192 -92.602 1.00 16.42 ? 144 SER C C 1 ATOM 4117 O O . SER C 1 147 ? 9.132 -1.807 -92.990 1.00 14.98 ? 144 SER C O 1 ATOM 4118 C CB . SER C 1 147 ? 5.821 -1.768 -91.829 1.00 18.43 ? 144 SER C CB 1 ATOM 4119 O OG . SER C 1 147 ? 6.419 -2.343 -90.718 1.00 26.26 ? 144 SER C OG 1 ATOM 4120 N N . PHE C 1 148 ? 8.316 -0.084 -91.871 1.00 13.88 ? 145 PHE C N 1 ATOM 4121 C CA . PHE C 1 148 ? 9.637 0.431 -91.510 1.00 13.64 ? 145 PHE C CA 1 ATOM 4122 C C . PHE C 1 148 ? 9.719 0.877 -90.042 1.00 18.89 ? 145 PHE C C 1 ATOM 4123 O O . PHE C 1 148 ? 8.728 0.903 -89.322 1.00 19.79 ? 145 PHE C O 1 ATOM 4124 C CB . PHE C 1 148 ? 10.020 1.624 -92.419 1.00 14.69 ? 145 PHE C CB 1 ATOM 4125 C CG . PHE C 1 148 ? 10.139 1.312 -93.890 1.00 14.96 ? 145 PHE C CG 1 ATOM 4126 C CD1 . PHE C 1 148 ? 9.023 1.359 -94.720 1.00 17.03 ? 145 PHE C CD1 1 ATOM 4127 C CD2 . PHE C 1 148 ? 11.370 1.002 -94.452 1.00 16.27 ? 145 PHE C CD2 1 ATOM 4128 C CE1 . PHE C 1 148 ? 9.135 1.078 -96.078 1.00 17.05 ? 145 PHE C CE1 1 ATOM 4129 C CE2 . PHE C 1 148 ? 11.482 0.730 -95.818 1.00 17.70 ? 145 PHE C CE2 1 ATOM 4130 C CZ . PHE C 1 148 ? 10.363 0.772 -96.618 1.00 15.49 ? 145 PHE C CZ 1 ATOM 4131 N N . PHE C 1 149 ? 10.927 1.175 -89.605 1.00 14.33 ? 146 PHE C N 1 ATOM 4132 C CA . PHE C 1 149 ? 11.211 1.750 -88.306 1.00 14.58 ? 146 PHE C CA 1 ATOM 4133 C C . PHE C 1 149 ? 12.324 2.762 -88.510 1.00 18.19 ? 146 PHE C C 1 ATOM 4134 O O . PHE C 1 149 ? 13.158 2.593 -89.395 1.00 16.60 ? 146 PHE C O 1 ATOM 4135 C CB . PHE C 1 149 ? 11.511 0.711 -87.198 1.00 16.39 ? 146 PHE C CB 1 ATOM 4136 C CG . PHE C 1 149 ? 12.824 -0.044 -87.237 1.00 16.33 ? 146 PHE C CG 1 ATOM 4137 C CD1 . PHE C 1 149 ? 12.968 -1.178 -88.028 1.00 17.60 ? 146 PHE C CD1 1 ATOM 4138 C CD2 . PHE C 1 149 ? 13.880 0.320 -86.404 1.00 18.92 ? 146 PHE C CD2 1 ATOM 4139 C CE1 . PHE C 1 149 ? 14.154 -1.919 -88.009 1.00 18.21 ? 146 PHE C CE1 1 ATOM 4140 C CE2 . PHE C 1 149 ? 15.072 -0.413 -86.393 1.00 20.96 ? 146 PHE C CE2 1 ATOM 4141 C CZ . PHE C 1 149 ? 15.202 -1.529 -87.194 1.00 17.97 ? 146 PHE C CZ 1 ATOM 4142 N N . LYS C 1 150 ? 12.258 3.865 -87.779 1.00 16.09 ? 147 LYS C N 1 ATOM 4143 C CA . LYS C 1 150 ? 13.230 4.949 -87.860 1.00 16.07 ? 147 LYS C CA 1 ATOM 4144 C C . LYS C 1 150 ? 13.600 5.344 -86.434 1.00 22.18 ? 147 LYS C C 1 ATOM 4145 O O . LYS C 1 150 ? 12.723 5.395 -85.567 1.00 24.34 ? 147 LYS C O 1 ATOM 4146 C CB . LYS C 1 150 ? 12.630 6.119 -88.663 1.00 18.21 ? 147 LYS C CB 1 ATOM 4147 C CG . LYS C 1 150 ? 13.609 7.219 -89.041 1.00 19.59 ? 147 LYS C CG 1 ATOM 4148 C CD . LYS C 1 150 ? 12.930 8.251 -89.924 1.00 20.05 ? 147 LYS C CD 1 ATOM 4149 C CE . LYS C 1 150 ? 13.563 8.395 -91.282 1.00 18.46 ? 147 LYS C CE 1 ATOM 4150 N NZ . LYS C 1 150 ? 14.778 9.237 -91.228 1.00 23.86 1 147 LYS C NZ 1 ATOM 4151 N N . ILE C 1 151 ? 14.896 5.563 -86.178 1.00 17.81 ? 148 ILE C N 1 ATOM 4152 C CA . ILE C 1 151 ? 15.380 5.946 -84.849 1.00 18.26 ? 148 ILE C CA 1 ATOM 4153 C C . ILE C 1 151 ? 15.986 7.347 -84.904 1.00 24.04 ? 148 ILE C C 1 ATOM 4154 O O . ILE C 1 151 ? 16.889 7.586 -85.708 1.00 23.80 ? 148 ILE C O 1 ATOM 4155 C CB . ILE C 1 151 ? 16.393 4.918 -84.272 1.00 20.10 ? 148 ILE C CB 1 ATOM 4156 C CG1 . ILE C 1 151 ? 15.760 3.524 -84.117 1.00 19.13 ? 148 ILE C CG1 1 ATOM 4157 C CG2 . ILE C 1 151 ? 16.924 5.402 -82.947 1.00 21.73 ? 148 ILE C CG2 1 ATOM 4158 C CD1 . ILE C 1 151 ? 16.728 2.380 -83.995 1.00 21.52 ? 148 ILE C CD1 1 ATOM 4159 N N . SER C 1 152 ? 15.498 8.252 -84.033 1.00 21.44 ? 149 SER C N 1 ATOM 4160 C CA . SER C 1 152 ? 15.990 9.616 -83.868 1.00 22.59 ? 149 SER C CA 1 ATOM 4161 C C . SER C 1 152 ? 16.816 9.730 -82.588 1.00 28.60 ? 149 SER C C 1 ATOM 4162 O O . SER C 1 152 ? 16.488 9.111 -81.574 1.00 27.88 ? 149 SER C O 1 ATOM 4163 C CB . SER C 1 152 ? 14.840 10.615 -83.835 1.00 27.00 ? 149 SER C CB 1 ATOM 4164 O OG . SER C 1 152 ? 15.338 11.940 -83.750 1.00 33.83 ? 149 SER C OG 1 ATOM 4165 N N . TYR C 1 153 ? 17.878 10.545 -82.645 1.00 26.86 ? 150 TYR C N 1 ATOM 4166 C CA . TYR C 1 153 ? 18.833 10.772 -81.568 1.00 27.80 ? 150 TYR C CA 1 ATOM 4167 C C . TYR C 1 153 ? 18.956 12.237 -81.202 1.00 35.11 ? 150 TYR C C 1 ATOM 4168 O O . TYR C 1 153 ? 18.939 13.108 -82.072 1.00 35.22 ? 150 TYR C O 1 ATOM 4169 C CB . TYR C 1 153 ? 20.223 10.250 -81.952 1.00 27.31 ? 150 TYR C CB 1 ATOM 4170 C CG . TYR C 1 153 ? 20.230 8.819 -82.420 1.00 26.42 ? 150 TYR C CG 1 ATOM 4171 C CD1 . TYR C 1 153 ? 20.207 7.767 -81.509 1.00 28.35 ? 150 TYR C CD1 1 ATOM 4172 C CD2 . TYR C 1 153 ? 20.292 8.511 -83.773 1.00 25.43 ? 150 TYR C CD2 1 ATOM 4173 C CE1 . TYR C 1 153 ? 20.234 6.444 -81.936 1.00 27.90 ? 150 TYR C CE1 1 ATOM 4174 C CE2 . TYR C 1 153 ? 20.299 7.192 -84.213 1.00 24.64 ? 150 TYR C CE2 1 ATOM 4175 C CZ . TYR C 1 153 ? 20.286 6.161 -83.289 1.00 32.05 ? 150 TYR C CZ 1 ATOM 4176 O OH . TYR C 1 153 ? 20.293 4.862 -83.719 1.00 33.63 ? 150 TYR C OH 1 ATOM 4177 N N . LEU C 1 154 ? 19.135 12.486 -79.902 1.00 34.06 ? 151 LEU C N 1 ATOM 4178 C CA . LEU C 1 154 ? 19.338 13.798 -79.317 1.00 36.19 ? 151 LEU C CA 1 ATOM 4179 C C . LEU C 1 154 ? 20.491 13.715 -78.315 1.00 43.23 ? 151 LEU C C 1 ATOM 4180 O O . LEU C 1 154 ? 20.334 13.126 -77.238 1.00 44.18 ? 151 LEU C O 1 ATOM 4181 C CB . LEU C 1 154 ? 18.038 14.310 -78.651 1.00 37.43 ? 151 LEU C CB 1 ATOM 4182 C CG . LEU C 1 154 ? 18.143 15.564 -77.766 1.00 44.21 ? 151 LEU C CG 1 ATOM 4183 C CD1 . LEU C 1 154 ? 18.564 16.795 -78.568 1.00 45.01 ? 151 LEU C CD1 1 ATOM 4184 C CD2 . LEU C 1 154 ? 16.852 15.814 -77.018 1.00 46.51 ? 151 LEU C CD2 1 ATOM 4185 N N . THR C 1 155 ? 21.657 14.283 -78.680 1.00 40.80 ? 152 THR C N 1 ATOM 4186 C CA . THR C 1 155 ? 22.816 14.328 -77.780 1.00 42.19 ? 152 THR C CA 1 ATOM 4187 C C . THR C 1 155 ? 22.517 15.390 -76.723 1.00 47.53 ? 152 THR C C 1 ATOM 4188 O O . THR C 1 155 ? 22.017 16.469 -77.057 1.00 47.92 ? 152 THR C O 1 ATOM 4189 C CB . THR C 1 155 ? 24.134 14.571 -78.535 1.00 53.96 ? 152 THR C CB 1 ATOM 4190 O OG1 . THR C 1 155 ? 24.012 15.744 -79.339 1.00 59.05 ? 152 THR C OG1 1 ATOM 4191 C CG2 . THR C 1 155 ? 24.549 13.385 -79.395 1.00 49.02 ? 152 THR C CG2 1 ATOM 4192 N N . PHE C 1 156 ? 22.747 15.056 -75.447 1.00 44.99 ? 153 PHE C N 1 ATOM 4193 C CA . PHE C 1 156 ? 22.420 15.945 -74.334 1.00 47.53 ? 153 PHE C CA 1 ATOM 4194 C C . PHE C 1 156 ? 23.221 15.631 -73.065 1.00 52.85 ? 153 PHE C C 1 ATOM 4195 O O . PHE C 1 156 ? 23.804 14.555 -72.933 1.00 51.43 ? 153 PHE C O 1 ATOM 4196 C CB . PHE C 1 156 ? 20.900 15.838 -74.021 1.00 49.53 ? 153 PHE C CB 1 ATOM 4197 C CG . PHE C 1 156 ? 20.464 14.601 -73.261 1.00 50.51 ? 153 PHE C CG 1 ATOM 4198 C CD1 . PHE C 1 156 ? 20.606 13.332 -73.818 1.00 51.04 ? 153 PHE C CD1 1 ATOM 4199 C CD2 . PHE C 1 156 ? 19.900 14.707 -71.995 1.00 54.53 ? 153 PHE C CD2 1 ATOM 4200 C CE1 . PHE C 1 156 ? 20.218 12.191 -73.107 1.00 51.69 ? 153 PHE C CE1 1 ATOM 4201 C CE2 . PHE C 1 156 ? 19.492 13.567 -71.294 1.00 56.90 ? 153 PHE C CE2 1 ATOM 4202 C CZ . PHE C 1 156 ? 19.659 12.317 -71.852 1.00 52.69 ? 153 PHE C CZ 1 ATOM 4203 N N . LEU C 1 157 ? 23.202 16.573 -72.118 1.00 52.17 ? 154 LEU C N 1 ATOM 4204 C CA . LEU C 1 157 ? 23.802 16.425 -70.798 1.00 53.98 ? 154 LEU C CA 1 ATOM 4205 C C . LEU C 1 157 ? 22.643 16.499 -69.800 1.00 60.70 ? 154 LEU C C 1 ATOM 4206 O O . LEU C 1 157 ? 22.069 17.580 -69.637 1.00 62.42 ? 154 LEU C O 1 ATOM 4207 C CB . LEU C 1 157 ? 24.893 17.482 -70.540 1.00 55.91 ? 154 LEU C CB 1 ATOM 4208 C CG . LEU C 1 157 ? 26.266 17.202 -71.144 1.00 59.22 ? 154 LEU C CG 1 ATOM 4209 C CD1 . LEU C 1 157 ? 26.321 17.606 -72.599 1.00 57.80 ? 154 LEU C CD1 1 ATOM 4210 C CD2 . LEU C 1 157 ? 27.341 17.960 -70.403 1.00 63.90 ? 154 LEU C CD2 1 ATOM 4211 N N . PRO C 1 158 ? 22.198 15.348 -69.225 1.00 57.23 ? 155 PRO C N 1 ATOM 4212 C CA . PRO C 1 158 ? 21.022 15.371 -68.336 1.00 58.68 ? 155 PRO C CA 1 ATOM 4213 C C . PRO C 1 158 ? 21.170 16.282 -67.119 1.00 66.49 ? 155 PRO C C 1 ATOM 4214 O O . PRO C 1 158 ? 22.173 16.226 -66.410 1.00 66.37 ? 155 PRO C O 1 ATOM 4215 C CB . PRO C 1 158 ? 20.863 13.908 -67.908 1.00 59.18 ? 155 PRO C CB 1 ATOM 4216 C CG . PRO C 1 158 ? 22.181 13.270 -68.187 1.00 62.20 ? 155 PRO C CG 1 ATOM 4217 C CD . PRO C 1 158 ? 22.715 13.972 -69.384 1.00 56.67 ? 155 PRO C CD 1 ATOM 4218 N N . SER C 1 159 ? 20.157 17.146 -66.923 1.00 66.30 ? 156 SER C N 1 ATOM 4219 C CA . SER C 1 159 ? 20.010 18.110 -65.830 1.00 70.07 ? 156 SER C CA 1 ATOM 4220 C C . SER C 1 159 ? 18.587 18.014 -65.255 1.00 77.08 ? 156 SER C C 1 ATOM 4221 O O . SER C 1 159 ? 17.645 17.702 -65.995 1.00 74.67 ? 156 SER C O 1 ATOM 4222 C CB . SER C 1 159 ? 20.309 19.528 -66.310 1.00 74.63 ? 156 SER C CB 1 ATOM 4223 O OG . SER C 1 159 ? 19.388 19.964 -67.297 1.00 82.66 ? 156 SER C OG 1 ATOM 4224 N N . ALA C 1 160 ? 18.442 18.285 -63.940 1.00 78.51 ? 157 ALA C N 1 ATOM 4225 C CA . ALA C 1 160 ? 17.186 18.204 -63.183 1.00 80.66 ? 157 ALA C CA 1 ATOM 4226 C C . ALA C 1 160 ? 16.052 19.075 -63.750 1.00 86.68 ? 157 ALA C C 1 ATOM 4227 O O . ALA C 1 160 ? 14.903 18.622 -63.771 1.00 86.12 ? 157 ALA C O 1 ATOM 4228 C CB . ALA C 1 160 ? 17.433 18.585 -61.736 1.00 84.86 ? 157 ALA C CB 1 ATOM 4229 N N . ASP C 1 161 ? 16.369 20.311 -64.200 1.00 85.03 ? 158 ASP C N 1 ATOM 4230 C CA . ASP C 1 161 ? 15.387 21.262 -64.738 1.00 85.90 ? 158 ASP C CA 1 ATOM 4231 C C . ASP C 1 161 ? 15.249 21.135 -66.279 1.00 86.24 ? 158 ASP C C 1 ATOM 4232 O O . ASP C 1 161 ? 15.203 22.144 -66.994 1.00 86.34 ? 158 ASP C O 1 ATOM 4233 C CB . ASP C 1 161 ? 15.714 22.716 -64.306 1.00 91.34 ? 158 ASP C CB 1 ATOM 4234 C CG . ASP C 1 161 ? 17.184 23.110 -64.339 1.00 103.09 ? 158 ASP C CG 1 ATOM 4235 O OD1 . ASP C 1 161 ? 17.756 23.181 -65.450 1.00 102.08 ? 158 ASP C OD1 1 ATOM 4236 O OD2 . ASP C 1 161 ? 17.744 23.400 -63.259 1.00 111.15 -1 158 ASP C OD2 1 ATOM 4237 N N . GLU C 1 162 ? 15.132 19.882 -66.773 1.00 79.24 ? 159 GLU C N 1 ATOM 4238 C CA . GLU C 1 162 ? 14.964 19.585 -68.193 1.00 75.67 ? 159 GLU C CA 1 ATOM 4239 C C . GLU C 1 162 ? 14.144 18.312 -68.407 1.00 75.37 ? 159 GLU C C 1 ATOM 4240 O O . GLU C 1 162 ? 14.567 17.217 -68.024 1.00 73.72 ? 159 GLU C O 1 ATOM 4241 C CB . GLU C 1 162 ? 16.321 19.468 -68.905 1.00 75.49 ? 159 GLU C CB 1 ATOM 4242 C CG . GLU C 1 162 ? 16.683 20.691 -69.728 1.00 88.26 ? 159 GLU C CG 1 ATOM 4243 C CD . GLU C 1 162 ? 17.852 20.490 -70.672 1.00 110.09 ? 159 GLU C CD 1 ATOM 4244 O OE1 . GLU C 1 162 ? 18.978 20.237 -70.186 1.00 108.08 ? 159 GLU C OE1 1 ATOM 4245 O OE2 . GLU C 1 162 ? 17.640 20.574 -71.903 1.00 102.03 ? 159 GLU C OE2 1 ATOM 4246 N N . ILE C 1 163 ? 12.955 18.476 -69.004 1.00 70.05 ? 160 ILE C N 1 ATOM 4247 C CA . ILE C 1 163 ? 12.051 17.383 -69.366 1.00 67.11 ? 160 ILE C CA 1 ATOM 4248 C C . ILE C 1 163 ? 12.012 17.307 -70.887 1.00 65.60 ? 160 ILE C C 1 ATOM 4249 O O . ILE C 1 163 ? 11.910 18.337 -71.563 1.00 65.00 ? 160 ILE C O 1 ATOM 4250 C CB . ILE C 1 163 ? 10.634 17.470 -68.732 1.00 72.20 ? 160 ILE C CB 1 ATOM 4251 C CG1 . ILE C 1 163 ? 10.013 18.888 -68.842 1.00 74.79 ? 160 ILE C CG1 1 ATOM 4252 C CG2 . ILE C 1 163 ? 10.656 16.960 -67.287 1.00 74.93 ? 160 ILE C CG2 1 ATOM 4253 C CD1 . ILE C 1 163 ? 8.495 18.912 -69.035 1.00 82.58 ? 160 ILE C CD1 1 ATOM 4254 N N . TYR C 1 164 ? 12.143 16.091 -71.424 1.00 58.36 ? 161 TYR C N 1 ATOM 4255 C CA . TYR C 1 164 ? 12.187 15.878 -72.867 1.00 54.62 ? 161 TYR C CA 1 ATOM 4256 C C . TYR C 1 164 ? 10.973 15.141 -73.406 1.00 56.12 ? 161 TYR C C 1 ATOM 4257 O O . TYR C 1 164 ? 10.372 14.319 -72.718 1.00 55.56 ? 161 TYR C O 1 ATOM 4258 C CB . TYR C 1 164 ? 13.454 15.114 -73.255 1.00 53.14 ? 161 TYR C CB 1 ATOM 4259 C CG . TYR C 1 164 ? 14.741 15.812 -72.876 1.00 55.26 ? 161 TYR C CG 1 ATOM 4260 C CD1 . TYR C 1 164 ? 15.316 16.763 -73.714 1.00 56.90 ? 161 TYR C CD1 1 ATOM 4261 C CD2 . TYR C 1 164 ? 15.415 15.483 -71.704 1.00 57.17 ? 161 TYR C CD2 1 ATOM 4262 C CE1 . TYR C 1 164 ? 16.519 17.386 -73.384 1.00 58.72 ? 161 TYR C CE1 1 ATOM 4263 C CE2 . TYR C 1 164 ? 16.613 16.105 -71.359 1.00 59.33 ? 161 TYR C CE2 1 ATOM 4264 C CZ . TYR C 1 164 ? 17.165 17.054 -72.205 1.00 66.76 ? 161 TYR C CZ 1 ATOM 4265 O OH . TYR C 1 164 ? 18.354 17.660 -71.871 1.00 69.43 ? 161 TYR C OH 1 ATOM 4266 N N . ASP C 1 165 ? 10.633 15.438 -74.659 1.00 51.11 ? 162 ASP C N 1 ATOM 4267 C CA . ASP C 1 165 ? 9.532 14.814 -75.384 1.00 49.18 ? 162 ASP C CA 1 ATOM 4268 C C . ASP C 1 165 ? 9.924 14.549 -76.824 1.00 49.46 ? 162 ASP C C 1 ATOM 4269 O O . ASP C 1 165 ? 10.549 15.395 -77.469 1.00 48.19 ? 162 ASP C O 1 ATOM 4270 C CB . ASP C 1 165 ? 8.273 15.697 -75.344 1.00 52.81 ? 162 ASP C CB 1 ATOM 4271 C CG . ASP C 1 165 ? 7.558 15.679 -74.015 1.00 66.16 ? 162 ASP C CG 1 ATOM 4272 O OD1 . ASP C 1 165 ? 7.972 16.436 -73.110 1.00 69.38 -1 162 ASP C OD1 1 ATOM 4273 O OD2 . ASP C 1 165 ? 6.575 14.917 -73.882 1.00 71.26 ? 162 ASP C OD2 1 ATOM 4274 N N . CYS C 1 166 ? 9.563 13.369 -77.327 1.00 44.62 ? 163 CYS C N 1 ATOM 4275 C CA . CYS C 1 166 ? 9.778 13.042 -78.725 1.00 42.44 ? 163 CYS C CA 1 ATOM 4276 C C . CYS C 1 166 ? 8.445 13.238 -79.449 1.00 43.42 ? 163 CYS C C 1 ATOM 4277 O O . CYS C 1 166 ? 7.460 12.582 -79.103 1.00 42.32 ? 163 CYS C O 1 ATOM 4278 C CB . CYS C 1 166 ? 10.331 11.629 -78.905 1.00 41.62 ? 163 CYS C CB 1 ATOM 4279 S SG . CYS C 1 166 ? 10.549 11.155 -80.637 1.00 43.43 ? 163 CYS C SG 1 ATOM 4280 N N . LYS C 1 167 ? 8.396 14.191 -80.395 1.00 39.21 ? 164 LYS C N 1 ATOM 4281 C CA . LYS C 1 167 ? 7.182 14.477 -81.161 1.00 38.97 ? 164 LYS C CA 1 ATOM 4282 C C . LYS C 1 167 ? 7.244 13.747 -82.511 1.00 38.99 ? 164 LYS C C 1 ATOM 4283 O O . LYS C 1 167 ? 8.239 13.848 -83.239 1.00 36.91 ? 164 LYS C O 1 ATOM 4284 C CB . LYS C 1 167 ? 6.968 15.990 -81.336 1.00 43.70 ? 164 LYS C CB 1 ATOM 4285 N N . VAL C 1 168 ? 6.191 12.971 -82.808 1.00 34.84 ? 165 VAL C N 1 ATOM 4286 C CA . VAL C 1 168 ? 6.083 12.142 -84.009 1.00 32.68 ? 165 VAL C CA 1 ATOM 4287 C C . VAL C 1 168 ? 4.818 12.503 -84.819 1.00 37.44 ? 165 VAL C C 1 ATOM 4288 O O . VAL C 1 168 ? 3.709 12.453 -84.286 1.00 37.84 ? 165 VAL C O 1 ATOM 4289 C CB . VAL C 1 168 ? 6.109 10.626 -83.645 1.00 34.80 ? 165 VAL C CB 1 ATOM 4290 C CG1 . VAL C 1 168 ? 6.118 9.755 -84.900 1.00 32.30 ? 165 VAL C CG1 1 ATOM 4291 C CG2 . VAL C 1 168 ? 7.302 10.291 -82.747 1.00 34.50 ? 165 VAL C CG2 1 ATOM 4292 N N . GLU C 1 169 ? 5.000 12.844 -86.112 1.00 33.42 ? 166 GLU C N 1 ATOM 4293 C CA . GLU C 1 169 ? 3.895 13.164 -87.024 1.00 33.65 ? 166 GLU C CA 1 ATOM 4294 C C . GLU C 1 169 ? 3.877 12.170 -88.177 1.00 35.18 ? 166 GLU C C 1 ATOM 4295 O O . GLU C 1 169 ? 4.871 12.032 -88.897 1.00 33.23 ? 166 GLU C O 1 ATOM 4296 C CB . GLU C 1 169 ? 3.975 14.602 -87.569 1.00 36.17 ? 166 GLU C CB 1 ATOM 4297 C CG . GLU C 1 169 ? 3.851 15.711 -86.537 1.00 51.46 ? 166 GLU C CG 1 ATOM 4298 C CD . GLU C 1 169 ? 4.734 16.914 -86.821 1.00 81.14 ? 166 GLU C CD 1 ATOM 4299 O OE1 . GLU C 1 169 ? 5.409 17.386 -85.878 1.00 80.97 ? 166 GLU C OE1 1 ATOM 4300 O OE2 . GLU C 1 169 ? 4.779 17.365 -87.989 1.00 77.65 -1 166 GLU C OE2 1 ATOM 4301 N N . HIS C 1 170 ? 2.744 11.475 -88.334 1.00 31.84 ? 167 HIS C N 1 ATOM 4302 C CA . HIS C 1 170 ? 2.490 10.487 -89.383 1.00 30.30 ? 167 HIS C CA 1 ATOM 4303 C C . HIS C 1 170 ? 1.020 10.580 -89.799 1.00 35.91 ? 167 HIS C C 1 ATOM 4304 O O . HIS C 1 170 ? 0.190 11.010 -89.000 1.00 37.62 ? 167 HIS C O 1 ATOM 4305 C CB . HIS C 1 170 ? 2.846 9.078 -88.877 1.00 30.24 ? 167 HIS C CB 1 ATOM 4306 C CG . HIS C 1 170 ? 2.931 8.046 -89.955 1.00 31.92 ? 167 HIS C CG 1 ATOM 4307 N ND1 . HIS C 1 170 ? 1.793 7.519 -90.541 1.00 33.60 ? 167 HIS C ND1 1 ATOM 4308 C CD2 . HIS C 1 170 ? 4.017 7.469 -90.517 1.00 32.16 ? 167 HIS C CD2 1 ATOM 4309 C CE1 . HIS C 1 170 ? 2.222 6.663 -91.454 1.00 31.30 ? 167 HIS C CE1 1 ATOM 4310 N NE2 . HIS C 1 170 ? 3.552 6.591 -91.470 1.00 30.73 ? 167 HIS C NE2 1 ATOM 4311 N N . TRP C 1 171 ? 0.691 10.172 -91.034 1.00 31.83 ? 168 TRP C N 1 ATOM 4312 C CA . TRP C 1 171 ? -0.683 10.215 -91.567 1.00 32.44 ? 168 TRP C CA 1 ATOM 4313 C C . TRP C 1 171 ? -1.638 9.236 -90.846 1.00 37.62 ? 168 TRP C C 1 ATOM 4314 O O . TRP C 1 171 ? -2.858 9.425 -90.902 1.00 38.27 ? 168 TRP C O 1 ATOM 4315 C CB . TRP C 1 171 ? -0.686 9.941 -93.079 1.00 29.78 ? 168 TRP C CB 1 ATOM 4316 C CG . TRP C 1 171 ? 0.070 10.960 -93.885 1.00 30.46 ? 168 TRP C CG 1 ATOM 4317 C CD1 . TRP C 1 171 ? 0.170 12.301 -93.636 1.00 34.53 ? 168 TRP C CD1 1 ATOM 4318 C CD2 . TRP C 1 171 ? 0.792 10.723 -95.098 1.00 28.79 ? 168 TRP C CD2 1 ATOM 4319 N NE1 . TRP C 1 171 ? 0.936 12.907 -94.603 1.00 33.22 ? 168 TRP C NE1 1 ATOM 4320 C CE2 . TRP C 1 171 ? 1.335 11.961 -95.512 1.00 33.15 ? 168 TRP C CE2 1 ATOM 4321 C CE3 . TRP C 1 171 ? 1.069 9.574 -95.858 1.00 28.34 ? 168 TRP C CE3 1 ATOM 4322 C CZ2 . TRP C 1 171 ? 2.118 12.084 -96.665 1.00 31.58 ? 168 TRP C CZ2 1 ATOM 4323 C CZ3 . TRP C 1 171 ? 1.853 9.696 -96.993 1.00 28.69 ? 168 TRP C CZ3 1 ATOM 4324 C CH2 . TRP C 1 171 ? 2.361 10.938 -97.392 1.00 29.98 ? 168 TRP C CH2 1 ATOM 4325 N N . GLY C 1 172 ? -1.068 8.220 -90.181 1.00 33.71 ? 169 GLY C N 1 ATOM 4326 C CA . GLY C 1 172 ? -1.794 7.227 -89.390 1.00 33.78 ? 169 GLY C CA 1 ATOM 4327 C C . GLY C 1 172 ? -2.173 7.736 -88.006 1.00 38.79 ? 169 GLY C C 1 ATOM 4328 O O . GLY C 1 172 ? -2.872 7.047 -87.258 1.00 39.28 ? 169 GLY C O 1 ATOM 4329 N N . LEU C 1 173 ? -1.697 8.947 -87.654 1.00 35.51 ? 170 LEU C N 1 ATOM 4330 C CA . LEU C 1 173 ? -1.995 9.641 -86.405 1.00 37.25 ? 170 LEU C CA 1 ATOM 4331 C C . LEU C 1 173 ? -2.918 10.829 -86.696 1.00 45.20 ? 170 LEU C C 1 ATOM 4332 O O . LEU C 1 173 ? -2.679 11.567 -87.658 1.00 44.44 ? 170 LEU C O 1 ATOM 4333 C CB . LEU C 1 173 ? -0.710 10.129 -85.690 1.00 36.84 ? 170 LEU C CB 1 ATOM 4334 C CG . LEU C 1 173 ? 0.332 9.094 -85.239 1.00 39.52 ? 170 LEU C CG 1 ATOM 4335 C CD1 . LEU C 1 173 ? 1.605 9.774 -84.815 1.00 39.54 ? 170 LEU C CD1 1 ATOM 4336 C CD2 . LEU C 1 173 ? -0.176 8.235 -84.096 1.00 41.13 ? 170 LEU C CD2 1 ATOM 4337 N N . ASP C 1 174 ? -3.970 11.007 -85.872 1.00 45.51 ? 171 ASP C N 1 ATOM 4338 C CA . ASP C 1 174 ? -4.926 12.114 -85.997 1.00 48.01 ? 171 ASP C CA 1 ATOM 4339 C C . ASP C 1 174 ? -4.372 13.365 -85.320 1.00 52.90 ? 171 ASP C C 1 ATOM 4340 O O . ASP C 1 174 ? -4.770 14.487 -85.640 1.00 53.91 ? 171 ASP C O 1 ATOM 4341 C CB . ASP C 1 174 ? -6.291 11.734 -85.398 1.00 52.17 ? 171 ASP C CB 1 ATOM 4342 C CG . ASP C 1 174 ? -7.025 10.679 -86.202 1.00 67.91 ? 171 ASP C CG 1 ATOM 4343 O OD1 . ASP C 1 174 ? -7.489 10.999 -87.322 1.00 68.84 ? 171 ASP C OD1 1 ATOM 4344 O OD2 . ASP C 1 174 ? -7.144 9.535 -85.710 1.00 76.14 -1 171 ASP C OD2 1 ATOM 4345 N N . GLU C 1 175 ? -3.452 13.156 -84.380 1.00 48.77 ? 172 GLU C N 1 ATOM 4346 C CA . GLU C 1 175 ? -2.767 14.202 -83.640 1.00 49.56 ? 172 GLU C CA 1 ATOM 4347 C C . GLU C 1 175 ? -1.289 13.826 -83.532 1.00 50.75 ? 172 GLU C C 1 ATOM 4348 O O . GLU C 1 175 ? -0.991 12.631 -83.485 1.00 47.78 ? 172 GLU C O 1 ATOM 4349 C CB . GLU C 1 175 ? -3.404 14.383 -82.248 1.00 53.26 ? 172 GLU C CB 1 ATOM 4350 N N . PRO C 1 176 ? -0.345 14.801 -83.482 1.00 48.13 ? 173 PRO C N 1 ATOM 4351 C CA . PRO C 1 176 ? 1.072 14.435 -83.317 1.00 46.41 ? 173 PRO C CA 1 ATOM 4352 C C . PRO C 1 176 ? 1.283 13.722 -81.987 1.00 50.19 ? 173 PRO C C 1 ATOM 4353 O O . PRO C 1 176 ? 0.776 14.181 -80.963 1.00 51.74 ? 173 PRO C O 1 ATOM 4354 C CB . PRO C 1 176 ? 1.806 15.784 -83.362 1.00 49.27 ? 173 PRO C CB 1 ATOM 4355 C CG . PRO C 1 176 ? 0.826 16.759 -83.928 1.00 55.19 ? 173 PRO C CG 1 ATOM 4356 C CD . PRO C 1 176 ? -0.515 16.269 -83.493 1.00 51.76 ? 173 PRO C CD 1 ATOM 4357 N N . LEU C 1 177 ? 1.971 12.572 -82.013 1.00 44.78 ? 174 LEU C N 1 ATOM 4358 C CA . LEU C 1 177 ? 2.214 11.784 -80.813 1.00 44.84 ? 174 LEU C CA 1 ATOM 4359 C C . LEU C 1 177 ? 3.430 12.299 -80.063 1.00 49.38 ? 174 LEU C C 1 ATOM 4360 O O . LEU C 1 177 ? 4.464 12.588 -80.665 1.00 47.81 ? 174 LEU C O 1 ATOM 4361 C CB . LEU C 1 177 ? 2.386 10.299 -81.151 1.00 42.83 ? 174 LEU C CB 1 ATOM 4362 C CG . LEU C 1 177 ? 1.790 9.321 -80.142 1.00 48.22 ? 174 LEU C CG 1 ATOM 4363 C CD1 . LEU C 1 177 ? 0.277 9.160 -80.352 1.00 49.24 ? 174 LEU C CD1 1 ATOM 4364 C CD2 . LEU C 1 177 ? 2.474 7.968 -80.239 1.00 48.33 ? 174 LEU C CD2 1 ATOM 4365 N N . LEU C 1 178 ? 3.289 12.427 -78.744 1.00 47.60 ? 175 LEU C N 1 ATOM 4366 C CA . LEU C 1 178 ? 4.349 12.907 -77.872 1.00 48.24 ? 175 LEU C CA 1 ATOM 4367 C C . LEU C 1 178 ? 4.652 11.869 -76.805 1.00 51.30 ? 175 LEU C C 1 ATOM 4368 O O . LEU C 1 178 ? 3.761 11.468 -76.049 1.00 52.17 ? 175 LEU C O 1 ATOM 4369 C CB . LEU C 1 178 ? 3.980 14.264 -77.243 1.00 51.09 ? 175 LEU C CB 1 ATOM 4370 C CG . LEU C 1 178 ? 4.403 15.505 -78.035 1.00 55.97 ? 175 LEU C CG 1 ATOM 4371 C CD1 . LEU C 1 178 ? 3.388 15.855 -79.127 1.00 55.79 ? 175 LEU C CD1 1 ATOM 4372 C CD2 . LEU C 1 178 ? 4.589 16.684 -77.114 1.00 60.56 ? 175 LEU C CD2 1 ATOM 4373 N N . LYS C 1 179 ? 5.904 11.395 -76.792 1.00 45.64 ? 176 LYS C N 1 ATOM 4374 C CA . LYS C 1 179 ? 6.396 10.409 -75.843 1.00 44.92 ? 176 LYS C CA 1 ATOM 4375 C C . LYS C 1 179 ? 7.439 11.101 -74.974 1.00 50.78 ? 176 LYS C C 1 ATOM 4376 O O . LYS C 1 179 ? 8.470 11.553 -75.477 1.00 49.09 ? 176 LYS C O 1 ATOM 4377 C CB . LYS C 1 179 ? 6.942 9.172 -76.575 1.00 43.75 ? 176 LYS C CB 1 ATOM 4378 C CG . LYS C 1 179 ? 6.839 7.884 -75.764 1.00 49.60 ? 176 LYS C CG 1 ATOM 4379 C CD . LYS C 1 179 ? 5.486 7.181 -75.933 1.00 55.69 ? 176 LYS C CD 1 ATOM 4380 C CE . LYS C 1 179 ? 5.266 6.058 -74.945 1.00 59.84 ? 176 LYS C CE 1 ATOM 4381 N NZ . LYS C 1 179 ? 6.215 4.927 -75.138 1.00 63.31 ? 176 LYS C NZ 1 ATOM 4382 N N . HIS C 1 180 ? 7.111 11.259 -73.684 1.00 51.09 ? 177 HIS C N 1 ATOM 4383 C CA . HIS C 1 180 ? 7.885 11.972 -72.665 1.00 53.31 ? 177 HIS C CA 1 ATOM 4384 C C . HIS C 1 180 ? 9.012 11.129 -72.060 1.00 56.96 ? 177 HIS C C 1 ATOM 4385 O O . HIS C 1 180 ? 8.914 9.905 -71.999 1.00 56.06 ? 177 HIS C O 1 ATOM 4386 C CB . HIS C 1 180 ? 6.927 12.437 -71.551 1.00 56.99 ? 177 HIS C CB 1 ATOM 4387 C CG . HIS C 1 180 ? 7.559 13.287 -70.496 1.00 62.96 ? 177 HIS C CG 1 ATOM 4388 N ND1 . HIS C 1 180 ? 8.023 12.740 -69.310 1.00 66.05 ? 177 HIS C ND1 1 ATOM 4389 C CD2 . HIS C 1 180 ? 7.786 14.620 -70.481 1.00 66.28 ? 177 HIS C CD2 1 ATOM 4390 C CE1 . HIS C 1 180 ? 8.514 13.752 -68.616 1.00 67.61 ? 177 HIS C CE1 1 ATOM 4391 N NE2 . HIS C 1 180 ? 8.394 14.903 -69.278 1.00 68.23 ? 177 HIS C NE2 1 ATOM 4392 N N . TRP C 1 181 ? 10.075 11.809 -71.611 1.00 54.37 ? 178 TRP C N 1 ATOM 4393 C CA . TRP C 1 181 ? 11.241 11.248 -70.932 1.00 54.58 ? 178 TRP C CA 1 ATOM 4394 C C . TRP C 1 181 ? 11.813 12.279 -69.963 1.00 62.02 ? 178 TRP C C 1 ATOM 4395 O O . TRP C 1 181 ? 11.859 13.470 -70.278 1.00 62.63 ? 178 TRP C O 1 ATOM 4396 C CB . TRP C 1 181 ? 12.316 10.799 -71.932 1.00 50.78 ? 178 TRP C CB 1 ATOM 4397 C CG . TRP C 1 181 ? 13.467 10.055 -71.307 1.00 51.46 ? 178 TRP C CG 1 ATOM 4398 C CD1 . TRP C 1 181 ? 13.579 8.705 -71.154 1.00 53.26 ? 178 TRP C CD1 1 ATOM 4399 C CD2 . TRP C 1 181 ? 14.663 10.626 -70.742 1.00 52.33 ? 178 TRP C CD2 1 ATOM 4400 N NE1 . TRP C 1 181 ? 14.777 8.394 -70.549 1.00 52.92 ? 178 TRP C NE1 1 ATOM 4401 C CE2 . TRP C 1 181 ? 15.461 9.554 -70.283 1.00 55.65 ? 178 TRP C CE2 1 ATOM 4402 C CE3 . TRP C 1 181 ? 15.155 11.938 -70.615 1.00 54.93 ? 178 TRP C CE3 1 ATOM 4403 C CZ2 . TRP C 1 181 ? 16.709 9.754 -69.676 1.00 55.85 ? 178 TRP C CZ2 1 ATOM 4404 C CZ3 . TRP C 1 181 ? 16.385 12.135 -70.003 1.00 57.35 ? 178 TRP C CZ3 1 ATOM 4405 C CH2 . TRP C 1 181 ? 17.151 11.053 -69.546 1.00 57.40 ? 178 TRP C CH2 1 ATOM 4406 N N . GLU C 1 182 ? 12.273 11.818 -68.796 1.00 60.66 ? 179 GLU C N 1 ATOM 4407 C CA . GLU C 1 182 ? 12.887 12.681 -67.787 1.00 63.57 ? 179 GLU C CA 1 ATOM 4408 C C . GLU C 1 182 ? 13.963 11.902 -66.993 1.00 68.48 ? 179 GLU C C 1 ATOM 4409 O O . GLU C 1 182 ? 13.780 10.704 -66.738 1.00 66.98 ? 179 GLU C O 1 ATOM 4410 C CB . GLU C 1 182 ? 11.834 13.321 -66.853 1.00 67.94 ? 179 GLU C CB 1 ATOM 4411 C CG . GLU C 1 182 ? 10.943 12.361 -66.077 1.00 80.15 ? 179 GLU C CG 1 ATOM 4412 C CD . GLU C 1 182 ? 10.259 12.988 -64.877 1.00 105.65 ? 179 GLU C CD 1 ATOM 4413 O OE1 . GLU C 1 182 ? 10.949 13.253 -63.863 1.00 97.15 ? 179 GLU C OE1 1 ATOM 4414 O OE2 . GLU C 1 182 ? 9.027 13.205 -64.947 1.00 103.18 -1 179 GLU C OE2 1 ATOM 4415 N N . PRO C 1 183 ? 15.102 12.546 -66.624 1.00 66.97 ? 180 PRO C N 1 ATOM 4416 C CA . PRO C 1 183 ? 16.140 11.819 -65.866 1.00 71.05 ? 180 PRO C CA 1 ATOM 4417 C C . PRO C 1 183 ? 15.766 11.640 -64.393 1.00 108.99 ? 180 PRO C C 1 ATOM 4418 O O . PRO C 1 183 ? 15.111 10.667 -64.026 1.00 72.97 ? 180 PRO C O 1 ATOM 4419 C CB . PRO C 1 183 ? 17.373 12.708 -66.024 1.00 72.69 ? 180 PRO C CB 1 ATOM 4420 C CG . PRO C 1 183 ? 16.832 14.083 -66.191 1.00 77.29 ? 180 PRO C CG 1 ATOM 4421 C CD . PRO C 1 183 ? 15.493 13.954 -66.865 1.00 70.86 ? 180 PRO C CD 1 ATOM 4422 N N . ASP D 2 32 ? -8.725 13.355 -96.238 1.00 58.80 ? 2 ASP D N 1 ATOM 4423 C CA . ASP D 2 32 ? -7.956 14.352 -95.487 1.00 59.51 ? 2 ASP D CA 1 ATOM 4424 C C . ASP D 2 32 ? -6.441 14.034 -95.481 1.00 59.56 ? 2 ASP D C 1 ATOM 4425 O O . ASP D 2 32 ? -5.626 14.946 -95.310 1.00 60.34 ? 2 ASP D O 1 ATOM 4426 C CB . ASP D 2 32 ? -8.483 14.461 -94.047 1.00 63.65 ? 2 ASP D CB 1 ATOM 4427 N N . SER D 2 33 ? -6.073 12.750 -95.666 1.00 51.18 ? 3 SER D N 1 ATOM 4428 C CA . SER D 2 33 ? -4.680 12.291 -95.702 1.00 47.35 ? 3 SER D CA 1 ATOM 4429 C C . SER D 2 33 ? -4.163 12.215 -97.152 1.00 47.32 ? 3 SER D C 1 ATOM 4430 O O . SER D 2 33 ? -4.912 11.791 -98.041 1.00 46.90 ? 3 SER D O 1 ATOM 4431 C CB . SER D 2 33 ? -4.543 10.932 -95.019 1.00 48.64 ? 3 SER D CB 1 ATOM 4432 O OG . SER D 2 33 ? -3.245 10.386 -95.187 1.00 52.08 ? 3 SER D OG 1 ATOM 4433 N N . PRO D 2 34 ? -2.889 12.605 -97.408 1.00 40.31 ? 4 PRO D N 1 ATOM 4434 C CA . PRO D 2 34 ? -2.358 12.549 -98.785 1.00 37.32 ? 4 PRO D CA 1 ATOM 4435 C C . PRO D 2 34 ? -2.242 11.133 -99.333 1.00 36.17 ? 4 PRO D C 1 ATOM 4436 O O . PRO D 2 34 ? -1.992 10.189 -98.584 1.00 34.61 ? 4 PRO D O 1 ATOM 4437 C CB . PRO D 2 34 ? -0.970 13.184 -98.663 1.00 38.82 ? 4 PRO D CB 1 ATOM 4438 C CG . PRO D 2 34 ? -1.004 13.952 -97.387 1.00 45.66 ? 4 PRO D CG 1 ATOM 4439 C CD . PRO D 2 34 ? -1.890 13.164 -96.480 1.00 41.92 ? 4 PRO D CD 1 ATOM 4440 N N . GLU D 2 35 ? -2.438 10.998 -100.626 1.00 30.35 ? 5 GLU D N 1 ATOM 4441 C CA . GLU D 2 35 ? -2.319 9.752 -101.338 1.00 27.17 ? 5 GLU D CA 1 ATOM 4442 C C . GLU D 2 35 ? -0.851 9.412 -101.621 1.00 28.24 ? 5 GLU D C 1 ATOM 4443 O O . GLU D 2 35 ? -0.090 10.258 -101.961 1.00 28.16 ? 5 GLU D O 1 ATOM 4444 C CB . GLU D 2 35 ? -3.104 9.850 -102.625 1.00 28.62 ? 5 GLU D CB 1 ATOM 4445 C CG . GLU D 2 35 ? -3.313 8.559 -103.354 1.00 39.31 ? 5 GLU D CG 1 ATOM 4446 C CD . GLU D 2 35 ? -4.566 8.544 -104.200 1.00 63.98 ? 5 GLU D CD 1 ATOM 4447 O OE1 . GLU D 2 35 ? -4.522 8.992 -105.334 1.00 55.21 ? 5 GLU D OE1 1 ATOM 4448 O OE2 . GLU D 2 35 ? -5.606 8.080 -103.715 1.00 63.92 -1 5 GLU D OE2 1 ATOM 4449 N N . ASP D 2 36 ? -0.460 8.178 -101.385 1.00 21.88 ? 6 ASP D N 1 ATOM 4450 C CA . ASP D 2 36 ? 0.892 7.712 -101.665 1.00 19.03 ? 6 ASP D CA 1 ATOM 4451 C C . ASP D 2 36 ? 0.885 6.343 -102.293 1.00 20.49 ? 6 ASP D C 1 ATOM 4452 O O . ASP D 2 36 ? 0.197 5.491 -101.851 1.00 21.86 ? 6 ASP D O 1 ATOM 4453 C CB . ASP D 2 36 ? 1.711 7.681 -100.383 1.00 19.68 ? 6 ASP D CB 1 ATOM 4454 C CG . ASP D 2 36 ? 3.202 7.726 -100.615 1.00 21.84 ? 6 ASP D CG 1 ATOM 4455 O OD1 . ASP D 2 36 ? 3.633 7.835 -101.722 1.00 21.45 ? 6 ASP D OD1 1 ATOM 4456 O OD2 . ASP D 2 36 ? 3.936 7.644 -99.668 1.00 20.52 -1 6 ASP D OD2 1 ATOM 4457 N N . PHE D 2 37 ? 1.700 6.153 -103.303 1.00 14.76 ? 7 PHE D N 1 ATOM 4458 C CA . PHE D 2 37 ? 1.974 4.868 -103.887 1.00 12.43 ? 7 PHE D CA 1 ATOM 4459 C C . PHE D 2 37 ? 3.445 4.466 -103.641 1.00 14.50 ? 7 PHE D C 1 ATOM 4460 O O . PHE D 2 37 ? 4.337 5.166 -103.970 1.00 14.83 ? 7 PHE D O 1 ATOM 4461 C CB . PHE D 2 37 ? 1.635 4.892 -105.364 1.00 12.94 ? 7 PHE D CB 1 ATOM 4462 C CG . PHE D 2 37 ? 0.224 5.248 -105.661 1.00 14.96 ? 7 PHE D CG 1 ATOM 4463 C CD1 . PHE D 2 37 ? -0.758 4.290 -105.656 1.00 16.85 ? 7 PHE D CD1 1 ATOM 4464 C CD2 . PHE D 2 37 ? -0.123 6.530 -105.954 1.00 17.53 ? 7 PHE D CD2 1 ATOM 4465 C CE1 . PHE D 2 37 ? -2.052 4.604 -105.913 1.00 18.83 ? 7 PHE D CE1 1 ATOM 4466 C CE2 . PHE D 2 37 ? -1.425 6.862 -106.206 1.00 21.58 ? 7 PHE D CE2 1 ATOM 4467 C CZ . PHE D 2 37 ? -2.389 5.892 -106.197 1.00 19.66 ? 7 PHE D CZ 1 ATOM 4468 N N . VAL D 2 38 ? 3.665 3.315 -103.049 1.00 10.29 ? 8 VAL D N 1 ATOM 4469 C CA . VAL D 2 38 ? 4.991 2.909 -102.631 1.00 8.93 ? 8 VAL D CA 1 ATOM 4470 C C . VAL D 2 38 ? 5.512 1.656 -103.355 1.00 9.47 ? 8 VAL D C 1 ATOM 4471 O O . VAL D 2 38 ? 4.795 0.709 -103.537 1.00 9.01 ? 8 VAL D O 1 ATOM 4472 C CB . VAL D 2 38 ? 5.087 2.742 -101.100 1.00 11.09 ? 8 VAL D CB 1 ATOM 4473 C CG1 . VAL D 2 38 ? 6.461 2.313 -100.678 1.00 9.54 ? 8 VAL D CG1 1 ATOM 4474 C CG2 . VAL D 2 38 ? 4.656 3.985 -100.356 1.00 12.46 ? 8 VAL D CG2 1 ATOM 4475 N N . TYR D 2 39 ? 6.750 1.721 -103.807 1.00 7.90 ? 9 TYR D N 1 ATOM 4476 C CA . TYR D 2 39 ? 7.503 0.605 -104.324 1.00 7.54 ? 9 TYR D CA 1 ATOM 4477 C C . TYR D 2 39 ? 8.743 0.253 -103.493 1.00 9.08 ? 9 TYR D C 1 ATOM 4478 O O . TYR D 2 39 ? 9.559 1.061 -103.190 1.00 8.77 ? 9 TYR D O 1 ATOM 4479 C CB . TYR D 2 39 ? 7.824 0.796 -105.814 1.00 7.85 ? 9 TYR D CB 1 ATOM 4480 C CG . TYR D 2 39 ? 8.076 -0.455 -106.633 1.00 7.86 ? 9 TYR D CG 1 ATOM 4481 C CD1 . TYR D 2 39 ? 9.292 -1.095 -106.598 1.00 8.12 ? 9 TYR D CD1 1 ATOM 4482 C CD2 . TYR D 2 39 ? 7.106 -0.982 -107.438 1.00 7.89 ? 9 TYR D CD2 1 ATOM 4483 C CE1 . TYR D 2 39 ? 9.521 -2.222 -107.318 1.00 8.04 ? 9 TYR D CE1 1 ATOM 4484 C CE2 . TYR D 2 39 ? 7.320 -2.106 -108.155 1.00 8.14 ? 9 TYR D CE2 1 ATOM 4485 C CZ . TYR D 2 39 ? 8.539 -2.723 -108.095 1.00 14.74 ? 9 TYR D CZ 1 ATOM 4486 O OH . TYR D 2 39 ? 8.780 -3.811 -108.792 1.00 16.56 ? 9 TYR D OH 1 ATOM 4487 N N . GLN D 2 40 ? 8.840 -1.010 -103.140 1.00 8.32 ? 10 GLN D N 1 ATOM 4488 C CA . GLN D 2 40 ? 10.023 -1.577 -102.523 1.00 7.98 ? 10 GLN D CA 1 ATOM 4489 C C . GLN D 2 40 ? 10.629 -2.734 -103.342 1.00 10.78 ? 10 GLN D C 1 ATOM 4490 O O . GLN D 2 40 ? 9.941 -3.588 -103.823 1.00 11.56 ? 10 GLN D O 1 ATOM 4491 C CB . GLN D 2 40 ? 9.771 -2.008 -101.074 1.00 8.17 ? 10 GLN D CB 1 ATOM 4492 C CG . GLN D 2 40 ? 9.076 -1.000 -100.202 1.00 10.82 ? 10 GLN D CG 1 ATOM 4493 C CD . GLN D 2 40 ? 8.713 -1.517 -98.840 1.00 27.10 ? 10 GLN D CD 1 ATOM 4494 O OE1 . GLN D 2 40 ? 9.544 -1.964 -98.102 1.00 15.15 ? 10 GLN D OE1 1 ATOM 4495 N NE2 . GLN D 2 40 ? 7.463 -1.449 -98.512 1.00 18.09 ? 10 GLN D NE2 1 ATOM 4496 N N . PHE D 2 41 ? 11.936 -2.692 -103.522 1.00 8.67 ? 11 PHE D N 1 ATOM 4497 C CA . PHE D 2 41 ? 12.739 -3.807 -103.972 1.00 8.30 ? 11 PHE D CA 1 ATOM 4498 C C . PHE D 2 41 ? 13.789 -4.165 -102.915 1.00 12.52 ? 11 PHE D C 1 ATOM 4499 O O . PHE D 2 41 ? 14.564 -3.379 -102.497 1.00 13.24 ? 11 PHE D O 1 ATOM 4500 C CB . PHE D 2 41 ? 13.313 -3.611 -105.380 1.00 8.44 ? 11 PHE D CB 1 ATOM 4501 C CG . PHE D 2 41 ? 14.356 -4.632 -105.792 1.00 8.18 ? 11 PHE D CG 1 ATOM 4502 C CD1 . PHE D 2 41 ? 14.015 -5.901 -106.158 1.00 8.61 ? 11 PHE D CD1 1 ATOM 4503 C CD2 . PHE D 2 41 ? 15.684 -4.291 -105.826 1.00 8.63 ? 11 PHE D CD2 1 ATOM 4504 C CE1 . PHE D 2 41 ? 14.975 -6.817 -106.516 1.00 9.08 ? 11 PHE D CE1 1 ATOM 4505 C CE2 . PHE D 2 41 ? 16.653 -5.196 -106.182 1.00 10.26 ? 11 PHE D CE2 1 ATOM 4506 C CZ . PHE D 2 41 ? 16.302 -6.463 -106.529 1.00 8.66 ? 11 PHE D CZ 1 ATOM 4507 N N . LYS D 2 42 ? 13.750 -5.395 -102.472 1.00 10.84 ? 12 LYS D N 1 ATOM 4508 C CA . LYS D 2 42 ? 14.683 -5.858 -101.448 1.00 10.81 ? 12 LYS D CA 1 ATOM 4509 C C . LYS D 2 42 ? 15.511 -6.998 -101.977 1.00 13.60 ? 12 LYS D C 1 ATOM 4510 O O . LYS D 2 42 ? 14.960 -8.023 -102.356 1.00 13.55 ? 12 LYS D O 1 ATOM 4511 C CB . LYS D 2 42 ? 13.938 -6.301 -100.172 1.00 12.49 ? 12 LYS D CB 1 ATOM 4512 C CG . LYS D 2 42 ? 13.172 -5.194 -99.456 1.00 17.35 ? 12 LYS D CG 1 ATOM 4513 C CD . LYS D 2 42 ? 12.270 -5.789 -98.372 1.00 22.84 ? 12 LYS D CD 1 ATOM 4514 C CE . LYS D 2 42 ? 11.770 -4.723 -97.432 1.00 21.92 ? 12 LYS D CE 1 ATOM 4515 N NZ . LYS D 2 42 ? 10.946 -5.288 -96.330 1.00 17.56 1 12 LYS D NZ 1 ATOM 4516 N N . GLY D 2 43 ? 16.825 -6.806 -102.008 1.00 11.50 ? 13 GLY D N 1 ATOM 4517 C CA . GLY D 2 43 ? 17.763 -7.821 -102.451 1.00 11.69 ? 13 GLY D CA 1 ATOM 4518 C C . GLY D 2 43 ? 18.380 -8.396 -101.204 1.00 14.79 ? 13 GLY D C 1 ATOM 4519 O O . GLY D 2 43 ? 19.201 -7.733 -100.567 1.00 13.92 ? 13 GLY D O 1 ATOM 4520 N N . MET D 2 44 ? 17.950 -9.613 -100.821 1.00 13.49 ? 14 MET D N 1 ATOM 4521 C CA . MET D 2 44 ? 18.354 -10.222 -99.550 1.00 13.50 ? 14 MET D CA 1 ATOM 4522 C C . MET D 2 44 ? 19.209 -11.476 -99.675 1.00 16.92 ? 14 MET D C 1 ATOM 4523 O O . MET D 2 44 ? 19.004 -12.304 -100.558 1.00 17.00 ? 14 MET D O 1 ATOM 4524 C CB . MET D 2 44 ? 17.113 -10.522 -98.706 1.00 15.44 ? 14 MET D CB 1 ATOM 4525 C CG . MET D 2 44 ? 16.285 -9.282 -98.500 1.00 19.07 ? 14 MET D CG 1 ATOM 4526 S SD . MET D 2 44 ? 14.844 -9.446 -97.480 1.00 23.88 ? 14 MET D SD 1 ATOM 4527 C CE . MET D 2 44 ? 15.601 -9.507 -95.856 1.00 20.61 ? 14 MET D CE 1 ATOM 4528 N N . CYS D 2 45 ? 20.180 -11.585 -98.757 1.00 13.80 ? 15 CYS D N 1 ATOM 4529 C CA . CYS D 2 45 ? 21.120 -12.695 -98.607 1.00 13.70 ? 15 CYS D CA 1 ATOM 4530 C C . CYS D 2 45 ? 20.956 -13.300 -97.220 1.00 17.57 ? 15 CYS D C 1 ATOM 4531 O O . CYS D 2 45 ? 20.908 -12.576 -96.223 1.00 18.25 ? 15 CYS D O 1 ATOM 4532 C CB . CYS D 2 45 ? 22.556 -12.236 -98.837 1.00 12.82 ? 15 CYS D CB 1 ATOM 4533 S SG . CYS D 2 45 ? 22.885 -11.579 -100.492 1.00 15.44 ? 15 CYS D SG 1 ATOM 4534 N N . TYR D 2 46 ? 20.875 -14.625 -97.163 1.00 13.38 ? 16 TYR D N 1 ATOM 4535 C CA . TYR D 2 46 ? 20.731 -15.388 -95.937 1.00 13.42 ? 16 TYR D CA 1 ATOM 4536 C C . TYR D 2 46 ? 21.951 -16.297 -95.806 1.00 17.52 ? 16 TYR D C 1 ATOM 4537 O O . TYR D 2 46 ? 22.138 -17.203 -96.627 1.00 18.20 ? 16 TYR D O 1 ATOM 4538 C CB . TYR D 2 46 ? 19.401 -16.173 -95.933 1.00 14.02 ? 16 TYR D CB 1 ATOM 4539 C CG . TYR D 2 46 ? 18.174 -15.288 -96.014 1.00 13.89 ? 16 TYR D CG 1 ATOM 4540 C CD1 . TYR D 2 46 ? 17.644 -14.904 -97.246 1.00 14.40 ? 16 TYR D CD1 1 ATOM 4541 C CD2 . TYR D 2 46 ? 17.547 -14.823 -94.860 1.00 14.54 ? 16 TYR D CD2 1 ATOM 4542 C CE1 . TYR D 2 46 ? 16.526 -14.070 -97.325 1.00 14.71 ? 16 TYR D CE1 1 ATOM 4543 C CE2 . TYR D 2 46 ? 16.403 -14.025 -94.927 1.00 14.88 ? 16 TYR D CE2 1 ATOM 4544 C CZ . TYR D 2 46 ? 15.898 -13.646 -96.162 1.00 21.21 ? 16 TYR D CZ 1 ATOM 4545 O OH . TYR D 2 46 ? 14.791 -12.834 -96.224 1.00 22.32 ? 16 TYR D OH 1 ATOM 4546 N N . PHE D 2 47 ? 22.807 -16.016 -94.803 1.00 13.01 ? 17 PHE D N 1 ATOM 4547 C CA . PHE D 2 47 ? 24.044 -16.757 -94.567 1.00 12.59 ? 17 PHE D CA 1 ATOM 4548 C C . PHE D 2 47 ? 23.923 -17.626 -93.326 1.00 17.22 ? 17 PHE D C 1 ATOM 4549 O O . PHE D 2 47 ? 23.512 -17.148 -92.268 1.00 16.18 ? 17 PHE D O 1 ATOM 4550 C CB . PHE D 2 47 ? 25.245 -15.796 -94.428 1.00 12.72 ? 17 PHE D CB 1 ATOM 4551 C CG . PHE D 2 47 ? 25.317 -14.677 -95.442 1.00 12.35 ? 17 PHE D CG 1 ATOM 4552 C CD1 . PHE D 2 47 ? 25.816 -14.907 -96.722 1.00 14.45 ? 17 PHE D CD1 1 ATOM 4553 C CD2 . PHE D 2 47 ? 24.936 -13.383 -95.102 1.00 13.27 ? 17 PHE D CD2 1 ATOM 4554 C CE1 . PHE D 2 47 ? 25.922 -13.864 -97.644 1.00 14.90 ? 17 PHE D CE1 1 ATOM 4555 C CE2 . PHE D 2 47 ? 25.017 -12.344 -96.033 1.00 15.24 ? 17 PHE D CE2 1 ATOM 4556 C CZ . PHE D 2 47 ? 25.530 -12.587 -97.291 1.00 13.38 ? 17 PHE D CZ 1 ATOM 4557 N N . THR D 2 48 ? 24.289 -18.906 -93.460 1.00 16.12 ? 18 THR D N 1 ATOM 4558 C CA . THR D 2 48 ? 24.253 -19.880 -92.372 1.00 17.26 ? 18 THR D CA 1 ATOM 4559 C C . THR D 2 48 ? 25.576 -20.652 -92.346 1.00 23.72 ? 18 THR D C 1 ATOM 4560 O O . THR D 2 48 ? 26.093 -21.036 -93.406 1.00 22.84 ? 18 THR D O 1 ATOM 4561 C CB . THR D 2 48 ? 23.028 -20.816 -92.518 1.00 25.57 ? 18 THR D CB 1 ATOM 4562 O OG1 . THR D 2 48 ? 21.852 -20.046 -92.751 1.00 25.25 ? 18 THR D OG1 1 ATOM 4563 C CG2 . THR D 2 48 ? 22.797 -21.690 -91.289 1.00 26.24 ? 18 THR D CG2 1 ATOM 4564 N N . ASN D 2 49 ? 26.102 -20.884 -91.115 1.00 23.07 ? 19 ASN D N 1 ATOM 4565 C CA . ASN D 2 49 ? 27.328 -21.624 -90.771 1.00 24.72 ? 19 ASN D CA 1 ATOM 4566 C C . ASN D 2 49 ? 28.521 -21.130 -91.616 1.00 28.68 ? 19 ASN D C 1 ATOM 4567 O O . ASN D 2 49 ? 29.051 -21.863 -92.456 1.00 28.84 ? 19 ASN D O 1 ATOM 4568 C CB . ASN D 2 49 ? 27.100 -23.148 -90.906 1.00 29.49 ? 19 ASN D CB 1 ATOM 4569 C CG . ASN D 2 49 ? 28.284 -24.043 -90.592 1.00 67.54 ? 19 ASN D CG 1 ATOM 4570 O OD1 . ASN D 2 49 ? 29.198 -23.693 -89.824 1.00 64.72 ? 19 ASN D OD1 1 ATOM 4571 N ND2 . ASN D 2 49 ? 28.264 -25.224 -91.209 1.00 67.14 ? 19 ASN D ND2 1 ATOM 4572 N N . GLY D 2 50 ? 28.904 -19.873 -91.393 1.00 24.67 ? 20 GLY D N 1 ATOM 4573 C CA . GLY D 2 50 ? 29.985 -19.233 -92.128 1.00 23.88 ? 20 GLY D CA 1 ATOM 4574 C C . GLY D 2 50 ? 29.608 -19.058 -93.585 1.00 27.99 ? 20 GLY D C 1 ATOM 4575 O O . GLY D 2 50 ? 28.561 -18.475 -93.886 1.00 25.61 ? 20 GLY D O 1 ATOM 4576 N N . THR D 2 51 ? 30.421 -19.654 -94.488 1.00 26.54 ? 21 THR D N 1 ATOM 4577 C CA . THR D 2 51 ? 30.248 -19.596 -95.948 1.00 26.09 ? 21 THR D CA 1 ATOM 4578 C C . THR D 2 51 ? 29.516 -20.826 -96.514 1.00 31.33 ? 21 THR D C 1 ATOM 4579 O O . THR D 2 51 ? 29.136 -20.808 -97.683 1.00 31.84 ? 21 THR D O 1 ATOM 4580 C CB . THR D 2 51 ? 31.625 -19.456 -96.654 1.00 34.38 ? 21 THR D CB 1 ATOM 4581 O OG1 . THR D 2 51 ? 32.439 -20.591 -96.341 1.00 38.76 ? 21 THR D OG1 1 ATOM 4582 C CG2 . THR D 2 51 ? 32.361 -18.166 -96.291 1.00 30.66 ? 21 THR D CG2 1 ATOM 4583 N N . GLU D 2 52 ? 29.331 -21.879 -95.702 1.00 28.58 ? 22 GLU D N 1 ATOM 4584 C CA . GLU D 2 52 ? 28.742 -23.168 -96.089 1.00 30.04 ? 22 GLU D CA 1 ATOM 4585 C C . GLU D 2 52 ? 27.348 -23.056 -96.767 1.00 32.95 ? 22 GLU D C 1 ATOM 4586 O O . GLU D 2 52 ? 27.124 -23.702 -97.791 1.00 33.52 ? 22 GLU D O 1 ATOM 4587 C CB . GLU D 2 52 ? 28.669 -24.097 -94.859 1.00 33.05 ? 22 GLU D CB 1 ATOM 4588 C CG . GLU D 2 52 ? 28.233 -25.533 -95.129 1.00 48.60 ? 22 GLU D CG 1 ATOM 4589 C CD . GLU D 2 52 ? 26.834 -25.882 -94.649 1.00 80.31 ? 22 GLU D CD 1 ATOM 4590 O OE1 . GLU D 2 52 ? 26.626 -25.956 -93.416 1.00 75.37 ? 22 GLU D OE1 1 ATOM 4591 O OE2 . GLU D 2 52 ? 25.949 -26.105 -95.508 1.00 81.67 -1 22 GLU D OE2 1 ATOM 4592 N N . ARG D 2 53 ? 26.429 -22.265 -96.208 1.00 27.82 ? 23 ARG D N 1 ATOM 4593 C CA . ARG D 2 53 ? 25.078 -22.162 -96.753 1.00 26.84 ? 23 ARG D CA 1 ATOM 4594 C C . ARG D 2 53 ? 24.728 -20.703 -97.110 1.00 26.38 ? 23 ARG D C 1 ATOM 4595 O O . ARG D 2 53 ? 24.823 -19.814 -96.260 1.00 24.78 ? 23 ARG D O 1 ATOM 4596 C CB . ARG D 2 53 ? 24.081 -22.769 -95.739 1.00 30.56 ? 23 ARG D CB 1 ATOM 4597 C CG . ARG D 2 53 ? 22.601 -22.531 -96.026 1.00 46.06 ? 23 ARG D CG 1 ATOM 4598 C CD . ARG D 2 53 ? 21.961 -23.576 -96.919 1.00 60.39 ? 23 ARG D CD 1 ATOM 4599 N NE . ARG D 2 53 ? 20.673 -23.095 -97.418 1.00 66.06 ? 23 ARG D NE 1 ATOM 4600 C CZ . ARG D 2 53 ? 20.460 -22.648 -98.652 1.00 74.48 ? 23 ARG D CZ 1 ATOM 4601 N NH1 . ARG D 2 53 ? 21.439 -22.658 -99.549 1.00 58.15 1 23 ARG D NH1 1 ATOM 4602 N NH2 . ARG D 2 53 ? 19.261 -22.221 -99.009 1.00 59.00 ? 23 ARG D NH2 1 ATOM 4603 N N . VAL D 2 54 ? 24.372 -20.463 -98.394 1.00 21.26 ? 24 VAL D N 1 ATOM 4604 C CA . VAL D 2 54 ? 23.986 -19.135 -98.904 1.00 18.83 ? 24 VAL D CA 1 ATOM 4605 C C . VAL D 2 54 ? 22.691 -19.214 -99.717 1.00 21.46 ? 24 VAL D C 1 ATOM 4606 O O . VAL D 2 54 ? 22.613 -19.946 -100.700 1.00 21.79 ? 24 VAL D O 1 ATOM 4607 C CB . VAL D 2 54 ? 25.063 -18.394 -99.741 1.00 21.30 ? 24 VAL D CB 1 ATOM 4608 C CG1 . VAL D 2 54 ? 24.788 -16.892 -99.735 1.00 19.47 ? 24 VAL D CG1 1 ATOM 4609 C CG2 . VAL D 2 54 ? 26.475 -18.690 -99.251 1.00 21.85 ? 24 VAL D CG2 1 ATOM 4610 N N . ARG D 2 55 ? 21.723 -18.376 -99.358 1.00 16.94 ? 25 ARG D N 1 ATOM 4611 C CA . ARG D 2 55 ? 20.445 -18.256 -100.048 1.00 16.56 ? 25 ARG D CA 1 ATOM 4612 C C . ARG D 2 55 ? 20.144 -16.790 -100.348 1.00 17.87 ? 25 ARG D C 1 ATOM 4613 O O . ARG D 2 55 ? 20.333 -15.930 -99.492 1.00 17.26 ? 25 ARG D O 1 ATOM 4614 C CB . ARG D 2 55 ? 19.337 -18.862 -99.178 1.00 16.87 ? 25 ARG D CB 1 ATOM 4615 C CG . ARG D 2 55 ? 18.005 -19.094 -99.873 1.00 24.68 ? 25 ARG D CG 1 ATOM 4616 C CD . ARG D 2 55 ? 17.025 -19.579 -98.828 1.00 28.73 ? 25 ARG D CD 1 ATOM 4617 N NE . ARG D 2 55 ? 15.664 -19.723 -99.341 1.00 35.67 ? 25 ARG D NE 1 ATOM 4618 C CZ . ARG D 2 55 ? 14.651 -20.209 -98.631 1.00 49.19 ? 25 ARG D CZ 1 ATOM 4619 N NH1 . ARG D 2 55 ? 14.836 -20.594 -97.374 1.00 33.36 1 25 ARG D NH1 1 ATOM 4620 N NH2 . ARG D 2 55 ? 13.445 -20.318 -99.172 1.00 40.16 ? 25 ARG D NH2 1 ATOM 4621 N N . LEU D 2 56 ? 19.672 -16.502 -101.558 1.00 14.28 ? 26 LEU D N 1 ATOM 4622 C CA . LEU D 2 56 ? 19.259 -15.151 -101.885 1.00 12.74 ? 26 LEU D CA 1 ATOM 4623 C C . LEU D 2 56 ? 17.729 -15.116 -102.147 1.00 13.98 ? 26 LEU D C 1 ATOM 4624 O O . LEU D 2 56 ? 17.152 -16.083 -102.663 1.00 13.38 ? 26 LEU D O 1 ATOM 4625 C CB . LEU D 2 56 ? 20.062 -14.527 -103.049 1.00 12.32 ? 26 LEU D CB 1 ATOM 4626 C CG . LEU D 2 56 ? 19.685 -14.841 -104.514 1.00 16.07 ? 26 LEU D CG 1 ATOM 4627 C CD1 . LEU D 2 56 ? 18.489 -14.014 -104.983 1.00 15.93 ? 26 LEU D CD1 1 ATOM 4628 C CD2 . LEU D 2 56 ? 20.807 -14.495 -105.422 1.00 17.72 ? 26 LEU D CD2 1 ATOM 4629 N N . VAL D 2 57 ? 17.086 -13.994 -101.761 1.00 11.15 ? 27 VAL D N 1 ATOM 4630 C CA . VAL D 2 57 ? 15.671 -13.741 -102.013 1.00 10.78 ? 27 VAL D CA 1 ATOM 4631 C C . VAL D 2 57 ? 15.521 -12.275 -102.418 1.00 13.10 ? 27 VAL D C 1 ATOM 4632 O O . VAL D 2 57 ? 15.805 -11.383 -101.628 1.00 12.47 ? 27 VAL D O 1 ATOM 4633 C CB . VAL D 2 57 ? 14.644 -14.130 -100.900 1.00 13.40 ? 27 VAL D CB 1 ATOM 4634 C CG1 . VAL D 2 57 ? 13.218 -14.060 -101.447 1.00 13.46 ? 27 VAL D CG1 1 ATOM 4635 C CG2 . VAL D 2 57 ? 14.908 -15.516 -100.325 1.00 13.87 ? 27 VAL D CG2 1 ATOM 4636 N N . THR D 2 58 ? 15.059 -12.039 -103.650 1.00 11.20 ? 28 THR D N 1 ATOM 4637 C CA . THR D 2 58 ? 14.785 -10.692 -104.138 1.00 10.65 ? 28 THR D CA 1 ATOM 4638 C C . THR D 2 58 ? 13.274 -10.513 -104.057 1.00 13.18 ? 28 THR D C 1 ATOM 4639 O O . THR D 2 58 ? 12.536 -11.374 -104.515 1.00 13.34 ? 28 THR D O 1 ATOM 4640 C CB . THR D 2 58 ? 15.401 -10.419 -105.520 1.00 14.43 ? 28 THR D CB 1 ATOM 4641 O OG1 . THR D 2 58 ? 14.694 -11.119 -106.527 1.00 19.93 ? 28 THR D OG1 1 ATOM 4642 C CG2 . THR D 2 58 ? 16.873 -10.745 -105.583 1.00 11.05 ? 28 THR D CG2 1 ATOM 4643 N N . ARG D 2 59 ? 12.818 -9.430 -103.422 1.00 10.68 ? 29 ARG D N 1 ATOM 4644 C CA . ARG D 2 59 ? 11.403 -9.161 -103.183 1.00 10.39 ? 29 ARG D CA 1 ATOM 4645 C C . ARG D 2 59 ? 10.959 -7.881 -103.897 1.00 12.45 ? 29 ARG D C 1 ATOM 4646 O O . ARG D 2 59 ? 11.612 -6.862 -103.759 1.00 11.92 ? 29 ARG D O 1 ATOM 4647 C CB . ARG D 2 59 ? 11.135 -9.067 -101.661 1.00 8.76 ? 29 ARG D CB 1 ATOM 4648 C CG . ARG D 2 59 ? 11.812 -10.177 -100.853 1.00 8.55 ? 29 ARG D CG 1 ATOM 4649 C CD . ARG D 2 59 ? 11.475 -10.136 -99.369 1.00 11.60 ? 29 ARG D CD 1 ATOM 4650 N NE . ARG D 2 59 ? 12.128 -11.230 -98.648 1.00 8.43 ? 29 ARG D NE 1 ATOM 4651 C CZ . ARG D 2 59 ? 11.644 -12.466 -98.550 1.00 21.31 ? 29 ARG D CZ 1 ATOM 4652 N NH1 . ARG D 2 59 ? 10.476 -12.778 -99.106 1.00 6.07 1 29 ARG D NH1 1 ATOM 4653 N NH2 . ARG D 2 59 ? 12.323 -13.399 -97.897 1.00 15.50 ? 29 ARG D NH2 1 ATOM 4654 N N . TYR D 2 60 ? 9.896 -7.984 -104.668 1.00 10.93 ? 30 TYR D N 1 ATOM 4655 C CA . TYR D 2 60 ? 9.248 -6.929 -105.390 1.00 10.87 ? 30 TYR D CA 1 ATOM 4656 C C . TYR D 2 60 ? 7.916 -6.622 -104.735 1.00 14.11 ? 30 TYR D C 1 ATOM 4657 O O . TYR D 2 60 ? 7.038 -7.422 -104.713 1.00 14.85 ? 30 TYR D O 1 ATOM 4658 C CB . TYR D 2 60 ? 9.090 -7.271 -106.865 1.00 11.83 ? 30 TYR D CB 1 ATOM 4659 C CG . TYR D 2 60 ? 10.391 -7.528 -107.604 1.00 12.36 ? 30 TYR D CG 1 ATOM 4660 C CD1 . TYR D 2 60 ? 11.104 -8.682 -107.407 1.00 13.25 ? 30 TYR D CD1 1 ATOM 4661 C CD2 . TYR D 2 60 ? 10.902 -6.608 -108.484 1.00 12.67 ? 30 TYR D CD2 1 ATOM 4662 C CE1 . TYR D 2 60 ? 12.281 -8.918 -108.060 1.00 12.98 ? 30 TYR D CE1 1 ATOM 4663 C CE2 . TYR D 2 60 ? 12.077 -6.830 -109.151 1.00 13.08 ? 30 TYR D CE2 1 ATOM 4664 C CZ . TYR D 2 60 ? 12.769 -7.984 -108.926 1.00 18.05 ? 30 TYR D CZ 1 ATOM 4665 O OH . TYR D 2 60 ? 13.906 -8.225 -109.569 1.00 16.21 ? 30 TYR D OH 1 ATOM 4666 N N . ILE D 2 61 ? 7.827 -5.466 -104.087 1.00 11.73 ? 31 ILE D N 1 ATOM 4667 C CA . ILE D 2 61 ? 6.726 -4.984 -103.257 1.00 11.92 ? 31 ILE D CA 1 ATOM 4668 C C . ILE D 2 61 ? 5.989 -3.697 -103.693 1.00 14.83 ? 31 ILE D C 1 ATOM 4669 O O . ILE D 2 61 ? 6.585 -2.716 -103.974 1.00 14.80 ? 31 ILE D O 1 ATOM 4670 C CB . ILE D 2 61 ? 7.303 -4.747 -101.839 1.00 14.00 ? 31 ILE D CB 1 ATOM 4671 C CG1 . ILE D 2 61 ? 8.085 -5.937 -101.416 1.00 14.34 ? 31 ILE D CG1 1 ATOM 4672 C CG2 . ILE D 2 61 ? 6.271 -4.525 -100.797 1.00 14.50 ? 31 ILE D CG2 1 ATOM 4673 C CD1 . ILE D 2 61 ? 9.168 -5.666 -100.440 1.00 16.83 ? 31 ILE D CD1 1 ATOM 4674 N N . TYR D 2 62 ? 4.674 -3.747 -103.711 1.00 11.94 ? 32 TYR D N 1 ATOM 4675 C CA . TYR D 2 62 ? 3.845 -2.625 -104.031 1.00 11.85 ? 32 TYR D CA 1 ATOM 4676 C C . TYR D 2 62 ? 3.192 -2.261 -102.730 1.00 16.08 ? 32 TYR D C 1 ATOM 4677 O O . TYR D 2 62 ? 2.506 -3.036 -102.195 1.00 15.68 ? 32 TYR D O 1 ATOM 4678 C CB . TYR D 2 62 ? 2.871 -2.968 -105.119 1.00 12.72 ? 32 TYR D CB 1 ATOM 4679 C CG . TYR D 2 62 ? 1.980 -1.845 -105.457 1.00 14.49 ? 32 TYR D CG 1 ATOM 4680 C CD1 . TYR D 2 62 ? 2.441 -0.747 -106.126 1.00 15.68 ? 32 TYR D CD1 1 ATOM 4681 C CD2 . TYR D 2 62 ? 0.661 -1.876 -105.105 1.00 16.00 ? 32 TYR D CD2 1 ATOM 4682 C CE1 . TYR D 2 62 ? 1.606 0.296 -106.407 1.00 16.46 ? 32 TYR D CE1 1 ATOM 4683 C CE2 . TYR D 2 62 ? -0.158 -0.850 -105.379 1.00 17.40 ? 32 TYR D CE2 1 ATOM 4684 C CZ . TYR D 2 62 ? 0.313 0.235 -106.041 1.00 22.71 ? 32 TYR D CZ 1 ATOM 4685 O OH . TYR D 2 62 ? -0.554 1.207 -106.289 1.00 21.03 ? 32 TYR D OH 1 ATOM 4686 N N . ASN D 2 63 ? 3.429 -1.060 -102.230 1.00 12.60 ? 33 ASN D N 1 ATOM 4687 C CA . ASN D 2 63 ? 2.954 -0.643 -100.937 1.00 12.99 ? 33 ASN D CA 1 ATOM 4688 C C . ASN D 2 63 ? 3.558 -1.628 -99.959 1.00 18.73 ? 33 ASN D C 1 ATOM 4689 O O . ASN D 2 63 ? 4.730 -1.631 -99.788 1.00 18.16 ? 33 ASN D O 1 ATOM 4690 C CB . ASN D 2 63 ? 1.460 -0.431 -100.837 1.00 11.09 ? 33 ASN D CB 1 ATOM 4691 C CG . ASN D 2 63 ? 0.943 0.607 -101.796 1.00 26.87 ? 33 ASN D CG 1 ATOM 4692 O OD1 . ASN D 2 63 ? 1.511 1.642 -101.992 1.00 14.82 ? 33 ASN D OD1 1 ATOM 4693 N ND2 . ASN D 2 63 ? -0.151 0.312 -102.380 1.00 14.22 ? 33 ASN D ND2 1 ATOM 4694 N N . ARG D 2 64 ? 2.761 -2.428 -99.285 1.00 17.30 ? 34 ARG D N 1 ATOM 4695 C CA . ARG D 2 64 ? 3.266 -3.439 -98.411 1.00 17.30 ? 34 ARG D CA 1 ATOM 4696 C C . ARG D 2 64 ? 3.091 -4.846 -98.924 1.00 20.96 ? 34 ARG D C 1 ATOM 4697 O O . ARG D 2 64 ? 3.295 -5.752 -98.219 1.00 20.47 ? 34 ARG D O 1 ATOM 4698 C CB . ARG D 2 64 ? 2.644 -3.333 -97.054 1.00 18.33 ? 34 ARG D CB 1 ATOM 4699 C CG . ARG D 2 64 ? 3.362 -2.392 -96.162 1.00 23.79 ? 34 ARG D CG 1 ATOM 4700 C CD . ARG D 2 64 ? 2.633 -2.251 -94.922 1.00 27.90 ? 34 ARG D CD 1 ATOM 4701 N NE . ARG D 2 64 ? 3.130 -3.119 -93.914 1.00 37.04 ? 34 ARG D NE 1 ATOM 4702 C CZ . ARG D 2 64 ? 2.468 -3.389 -92.823 1.00 54.47 ? 34 ARG D CZ 1 ATOM 4703 N NH1 . ARG D 2 64 ? 2.966 -4.147 -91.904 1.00 43.74 1 34 ARG D NH1 1 ATOM 4704 N NH2 . ARG D 2 64 ? 1.281 -2.910 -92.655 1.00 44.23 ? 34 ARG D NH2 1 ATOM 4705 N N . GLU D 2 65 ? 2.693 -5.006 -100.157 1.00 16.42 ? 35 GLU D N 1 ATOM 4706 C CA . GLU D 2 65 ? 2.436 -6.304 -100.720 1.00 15.57 ? 35 GLU D CA 1 ATOM 4707 C C . GLU D 2 65 ? 3.469 -6.843 -101.673 1.00 17.02 ? 35 GLU D C 1 ATOM 4708 O O . GLU D 2 65 ? 3.652 -6.372 -102.745 1.00 17.57 ? 35 GLU D O 1 ATOM 4709 C CB . GLU D 2 65 ? 1.079 -6.256 -101.419 1.00 17.23 ? 35 GLU D CB 1 ATOM 4710 C CG . GLU D 2 65 ? 0.670 -7.429 -102.288 1.00 28.10 ? 35 GLU D CG 1 ATOM 4711 C CD . GLU D 2 65 ? -0.624 -7.179 -103.039 1.00 47.46 ? 35 GLU D CD 1 ATOM 4712 O OE1 . GLU D 2 65 ? -1.321 -6.257 -102.672 1.00 43.80 ? 35 GLU D OE1 1 ATOM 4713 O OE2 . GLU D 2 65 ? -0.951 -7.873 -103.996 1.00 34.35 -1 35 GLU D OE2 1 ATOM 4714 N N . GLU D 2 66 ? 4.114 -7.881 -101.248 1.00 12.58 ? 36 GLU D N 1 ATOM 4715 C CA . GLU D 2 66 ? 5.077 -8.562 -102.061 1.00 11.72 ? 36 GLU D CA 1 ATOM 4716 C C . GLU D 2 66 ? 4.352 -9.292 -103.199 1.00 13.52 ? 36 GLU D C 1 ATOM 4717 O O . GLU D 2 66 ? 3.559 -10.111 -102.952 1.00 15.71 ? 36 GLU D O 1 ATOM 4718 C CB . GLU D 2 66 ? 5.949 -9.491 -101.210 1.00 12.70 ? 36 GLU D CB 1 ATOM 4719 C CG . GLU D 2 66 ? 7.103 -10.147 -101.932 1.00 16.91 ? 36 GLU D CG 1 ATOM 4720 C CD . GLU D 2 66 ? 7.933 -11.073 -101.066 1.00 36.44 ? 36 GLU D CD 1 ATOM 4721 O OE1 . GLU D 2 66 ? 8.001 -10.938 -99.867 1.00 22.12 ? 36 GLU D OE1 1 ATOM 4722 O OE2 . GLU D 2 66 ? 8.532 -11.958 -101.610 1.00 35.85 -1 36 GLU D OE2 1 ATOM 4723 N N . TYR D 2 67 ? 4.618 -8.963 -104.442 1.00 8.56 ? 37 TYR D N 1 ATOM 4724 C CA . TYR D 2 67 ? 3.858 -9.560 -105.535 1.00 8.29 ? 37 TYR D CA 1 ATOM 4725 C C . TYR D 2 67 ? 4.692 -10.502 -106.398 1.00 8.71 ? 37 TYR D C 1 ATOM 4726 O O . TYR D 2 67 ? 4.126 -11.265 -107.172 1.00 8.73 ? 37 TYR D O 1 ATOM 4727 C CB . TYR D 2 67 ? 3.218 -8.457 -106.389 1.00 8.42 ? 37 TYR D CB 1 ATOM 4728 C CG . TYR D 2 67 ? 4.192 -7.614 -107.180 1.00 8.43 ? 37 TYR D CG 1 ATOM 4729 C CD1 . TYR D 2 67 ? 4.585 -7.988 -108.464 1.00 8.98 ? 37 TYR D CD1 1 ATOM 4730 C CD2 . TYR D 2 67 ? 4.660 -6.404 -106.683 1.00 8.48 ? 37 TYR D CD2 1 ATOM 4731 C CE1 . TYR D 2 67 ? 5.495 -7.229 -109.192 1.00 8.45 ? 37 TYR D CE1 1 ATOM 4732 C CE2 . TYR D 2 67 ? 5.525 -5.601 -107.432 1.00 8.69 ? 37 TYR D CE2 1 ATOM 4733 C CZ . TYR D 2 67 ? 5.933 -6.018 -108.688 1.00 12.22 ? 37 TYR D CZ 1 ATOM 4734 O OH . TYR D 2 67 ? 6.717 -5.219 -109.469 1.00 10.05 ? 37 TYR D OH 1 ATOM 4735 N N . ALA D 2 68 ? 6.024 -10.469 -106.253 1.00 6.84 ? 38 ALA D N 1 ATOM 4736 C CA . ALA D 2 68 ? 6.931 -11.334 -107.000 1.00 6.48 ? 38 ALA D CA 1 ATOM 4737 C C . ALA D 2 68 ? 8.242 -11.483 -106.255 1.00 8.30 ? 38 ALA D C 1 ATOM 4738 O O . ALA D 2 68 ? 8.626 -10.593 -105.507 1.00 8.21 ? 38 ALA D O 1 ATOM 4739 C CB . ALA D 2 68 ? 7.167 -10.785 -108.408 1.00 6.33 ? 38 ALA D CB 1 ATOM 4740 N N . ARG D 2 69 ? 8.926 -12.621 -106.445 1.00 7.41 ? 39 ARG D N 1 ATOM 4741 C CA . ARG D 2 69 ? 10.203 -12.881 -105.810 1.00 7.20 ? 39 ARG D CA 1 ATOM 4742 C C . ARG D 2 69 ? 11.068 -13.862 -106.576 1.00 8.99 ? 39 ARG D C 1 ATOM 4743 O O . ARG D 2 69 ? 10.564 -14.738 -107.275 1.00 9.83 ? 39 ARG D O 1 ATOM 4744 C CB . ARG D 2 69 ? 10.026 -13.406 -104.365 1.00 7.51 ? 39 ARG D CB 1 ATOM 4745 C CG . ARG D 2 69 ? 9.603 -14.867 -104.229 1.00 13.13 ? 39 ARG D CG 1 ATOM 4746 C CD . ARG D 2 69 ? 9.781 -15.390 -102.819 1.00 17.19 ? 39 ARG D CD 1 ATOM 4747 N NE . ARG D 2 69 ? 8.863 -14.764 -101.863 1.00 22.11 ? 39 ARG D NE 1 ATOM 4748 C CZ . ARG D 2 69 ? 7.759 -15.333 -101.385 1.00 37.04 ? 39 ARG D CZ 1 ATOM 4749 N NH1 . ARG D 2 69 ? 7.402 -16.549 -101.784 1.00 25.06 1 39 ARG D NH1 1 ATOM 4750 N NH2 . ARG D 2 69 ? 6.997 -14.686 -100.515 1.00 28.01 ? 39 ARG D NH2 1 ATOM 4751 N N . PHE D 2 70 ? 12.385 -13.747 -106.364 1.00 7.46 ? 40 PHE D N 1 ATOM 4752 C CA . PHE D 2 70 ? 13.331 -14.725 -106.851 1.00 7.57 ? 40 PHE D CA 1 ATOM 4753 C C . PHE D 2 70 ? 14.067 -15.267 -105.636 1.00 10.06 ? 40 PHE D C 1 ATOM 4754 O O . PHE D 2 70 ? 14.672 -14.520 -104.879 1.00 9.18 ? 40 PHE D O 1 ATOM 4755 C CB . PHE D 2 70 ? 14.293 -14.191 -107.929 1.00 7.58 ? 40 PHE D CB 1 ATOM 4756 C CG . PHE D 2 70 ? 15.273 -15.236 -108.427 1.00 8.10 ? 40 PHE D CG 1 ATOM 4757 C CD1 . PHE D 2 70 ? 16.417 -15.552 -107.694 1.00 9.21 ? 40 PHE D CD1 1 ATOM 4758 C CD2 . PHE D 2 70 ? 15.094 -15.846 -109.663 1.00 8.81 ? 40 PHE D CD2 1 ATOM 4759 C CE1 . PHE D 2 70 ? 17.338 -16.492 -108.169 1.00 9.53 ? 40 PHE D CE1 1 ATOM 4760 C CE2 . PHE D 2 70 ? 16.022 -16.781 -110.141 1.00 10.53 ? 40 PHE D CE2 1 ATOM 4761 C CZ . PHE D 2 70 ? 17.128 -17.105 -109.387 1.00 9.14 ? 40 PHE D CZ 1 ATOM 4762 N N . ASP D 2 71 ? 14.021 -16.583 -105.501 1.00 10.14 ? 41 ASP D N 1 ATOM 4763 C CA . ASP D 2 71 ? 14.630 -17.413 -104.475 1.00 10.54 ? 41 ASP D CA 1 ATOM 4764 C C . ASP D 2 71 ? 15.628 -18.324 -105.158 1.00 12.08 ? 41 ASP D C 1 ATOM 4765 O O . ASP D 2 71 ? 15.240 -19.106 -106.038 1.00 11.63 ? 41 ASP D O 1 ATOM 4766 C CB . ASP D 2 71 ? 13.523 -18.222 -103.753 1.00 12.81 ? 41 ASP D CB 1 ATOM 4767 C CG . ASP D 2 71 ? 13.938 -19.042 -102.540 1.00 20.96 ? 41 ASP D CG 1 ATOM 4768 O OD1 . ASP D 2 71 ? 15.165 -19.178 -102.290 1.00 20.59 ? 41 ASP D OD1 1 ATOM 4769 O OD2 . ASP D 2 71 ? 13.041 -19.575 -101.858 1.00 29.37 -1 41 ASP D OD2 1 ATOM 4770 N N . SER D 2 72 ? 16.918 -18.231 -104.759 1.00 10.00 ? 42 SER D N 1 ATOM 4771 C CA . SER D 2 72 ? 17.985 -19.045 -105.346 1.00 10.40 ? 42 SER D CA 1 ATOM 4772 C C . SER D 2 72 ? 17.715 -20.557 -105.157 1.00 16.33 ? 42 SER D C 1 ATOM 4773 O O . SER D 2 72 ? 18.188 -21.355 -105.974 1.00 17.87 ? 42 SER D O 1 ATOM 4774 C CB . SER D 2 72 ? 19.356 -18.652 -104.788 1.00 10.83 ? 42 SER D CB 1 ATOM 4775 O OG . SER D 2 72 ? 19.389 -18.621 -103.370 1.00 12.74 ? 42 SER D OG 1 ATOM 4776 N N . ASP D 2 73 ? 16.935 -20.939 -104.116 1.00 14.88 ? 43 ASP D N 1 ATOM 4777 C CA . ASP D 2 73 ? 16.545 -22.333 -103.850 1.00 16.70 ? 43 ASP D CA 1 ATOM 4778 C C . ASP D 2 73 ? 15.468 -22.805 -104.841 1.00 19.18 ? 43 ASP D C 1 ATOM 4779 O O . ASP D 2 73 ? 15.322 -24.008 -105.047 1.00 21.16 ? 43 ASP D O 1 ATOM 4780 C CB . ASP D 2 73 ? 16.051 -22.518 -102.401 1.00 18.95 ? 43 ASP D CB 1 ATOM 4781 C CG . ASP D 2 73 ? 17.138 -22.574 -101.325 1.00 35.16 ? 43 ASP D CG 1 ATOM 4782 O OD1 . ASP D 2 73 ? 18.345 -22.428 -101.670 1.00 35.07 ? 43 ASP D OD1 1 ATOM 4783 O OD2 . ASP D 2 73 ? 16.788 -22.792 -100.142 1.00 45.72 -1 43 ASP D OD2 1 ATOM 4784 N N . VAL D 2 74 ? 14.722 -21.868 -105.444 1.00 14.89 ? 44 VAL D N 1 ATOM 4785 C CA . VAL D 2 74 ? 13.712 -22.163 -106.462 1.00 15.04 ? 44 VAL D CA 1 ATOM 4786 C C . VAL D 2 74 ? 14.440 -22.104 -107.827 1.00 17.59 ? 44 VAL D C 1 ATOM 4787 O O . VAL D 2 74 ? 14.375 -23.064 -108.586 1.00 19.15 ? 44 VAL D O 1 ATOM 4788 C CB . VAL D 2 74 ? 12.445 -21.247 -106.374 1.00 16.34 ? 44 VAL D CB 1 ATOM 4789 C CG1 . VAL D 2 74 ? 11.503 -21.469 -107.555 1.00 16.58 ? 44 VAL D CG1 1 ATOM 4790 C CG2 . VAL D 2 74 ? 11.694 -21.472 -105.062 1.00 16.43 ? 44 VAL D CG2 1 ATOM 4791 N N . GLY D 2 75 ? 15.171 -21.020 -108.088 1.00 14.00 ? 45 GLY D N 1 ATOM 4792 C CA . GLY D 2 75 ? 15.943 -20.872 -109.319 1.00 13.27 ? 45 GLY D CA 1 ATOM 4793 C C . GLY D 2 75 ? 15.247 -20.141 -110.447 1.00 14.57 ? 45 GLY D C 1 ATOM 4794 O O . GLY D 2 75 ? 15.873 -19.884 -111.474 1.00 14.81 ? 45 GLY D O 1 ATOM 4795 N N . VAL D 2 76 ? 13.949 -19.815 -110.275 1.00 11.08 ? 46 VAL D N 1 ATOM 4796 C CA . VAL D 2 76 ? 13.134 -19.052 -111.240 1.00 10.29 ? 46 VAL D CA 1 ATOM 4797 C C . VAL D 2 76 ? 12.330 -17.983 -110.480 1.00 12.93 ? 46 VAL D C 1 ATOM 4798 O O . VAL D 2 76 ? 12.138 -18.108 -109.272 1.00 12.65 ? 46 VAL D O 1 ATOM 4799 C CB . VAL D 2 76 ? 12.206 -19.919 -112.148 1.00 13.64 ? 46 VAL D CB 1 ATOM 4800 C CG1 . VAL D 2 76 ? 13.011 -20.774 -113.132 1.00 13.91 ? 46 VAL D CG1 1 ATOM 4801 C CG2 . VAL D 2 76 ? 11.217 -20.766 -111.335 1.00 14.41 ? 46 VAL D CG2 1 ATOM 4802 N N . TYR D 2 77 ? 11.871 -16.938 -111.181 1.00 10.62 ? 47 TYR D N 1 ATOM 4803 C CA . TYR D 2 77 ? 11.018 -15.919 -110.557 1.00 9.78 ? 47 TYR D CA 1 ATOM 4804 C C . TYR D 2 77 ? 9.653 -16.520 -110.281 1.00 14.00 ? 47 TYR D C 1 ATOM 4805 O O . TYR D 2 77 ? 9.180 -17.380 -111.036 1.00 14.20 ? 47 TYR D O 1 ATOM 4806 C CB . TYR D 2 77 ? 10.859 -14.682 -111.451 1.00 9.70 ? 47 TYR D CB 1 ATOM 4807 C CG . TYR D 2 77 ? 12.048 -13.755 -111.418 1.00 10.06 ? 47 TYR D CG 1 ATOM 4808 C CD1 . TYR D 2 77 ? 13.113 -13.923 -112.301 1.00 11.13 ? 47 TYR D CD1 1 ATOM 4809 C CD2 . TYR D 2 77 ? 12.087 -12.674 -110.545 1.00 9.99 ? 47 TYR D CD2 1 ATOM 4810 C CE1 . TYR D 2 77 ? 14.216 -13.071 -112.272 1.00 10.76 ? 47 TYR D CE1 1 ATOM 4811 C CE2 . TYR D 2 77 ? 13.170 -11.799 -110.527 1.00 10.27 ? 47 TYR D CE2 1 ATOM 4812 C CZ . TYR D 2 77 ? 14.234 -12.005 -111.389 1.00 14.72 ? 47 TYR D CZ 1 ATOM 4813 O OH . TYR D 2 77 ? 15.304 -11.158 -111.351 1.00 14.63 ? 47 TYR D OH 1 ATOM 4814 N N . ARG D 2 78 ? 9.030 -16.086 -109.184 1.00 12.25 ? 48 ARG D N 1 ATOM 4815 C CA . ARG D 2 78 ? 7.699 -16.545 -108.830 1.00 12.79 ? 48 ARG D CA 1 ATOM 4816 C C . ARG D 2 78 ? 6.838 -15.366 -108.420 1.00 14.23 ? 48 ARG D C 1 ATOM 4817 O O . ARG D 2 78 ? 7.304 -14.429 -107.773 1.00 12.59 ? 48 ARG D O 1 ATOM 4818 C CB . ARG D 2 78 ? 7.733 -17.605 -107.715 1.00 12.65 ? 48 ARG D CB 1 ATOM 4819 C CG . ARG D 2 78 ? 8.306 -18.955 -108.152 1.00 19.00 ? 48 ARG D CG 1 ATOM 4820 C CD . ARG D 2 78 ? 7.263 -19.870 -108.766 1.00 24.11 ? 48 ARG D CD 1 ATOM 4821 N NE . ARG D 2 78 ? 7.843 -21.068 -109.384 1.00 36.37 ? 48 ARG D NE 1 ATOM 4822 C CZ . ARG D 2 78 ? 8.166 -22.184 -108.730 1.00 51.57 ? 48 ARG D CZ 1 ATOM 4823 N NH1 . ARG D 2 78 ? 8.008 -22.262 -107.412 1.00 39.01 1 48 ARG D NH1 1 ATOM 4824 N NH2 . ARG D 2 78 ? 8.679 -23.216 -109.382 1.00 33.98 ? 48 ARG D NH2 1 ATOM 4825 N N . ALA D 2 79 ? 5.581 -15.410 -108.841 1.00 12.32 ? 49 ALA D N 1 ATOM 4826 C CA . ALA D 2 79 ? 4.580 -14.460 -108.429 1.00 11.80 ? 49 ALA D CA 1 ATOM 4827 C C . ALA D 2 79 ? 4.191 -14.840 -106.989 1.00 15.25 ? 49 ALA D C 1 ATOM 4828 O O . ALA D 2 79 ? 4.258 -16.020 -106.633 1.00 15.53 ? 49 ALA D O 1 ATOM 4829 C CB . ALA D 2 79 ? 3.400 -14.543 -109.372 1.00 12.93 ? 49 ALA D CB 1 ATOM 4830 N N . VAL D 2 80 ? 3.852 -13.865 -106.148 1.00 12.56 ? 50 VAL D N 1 ATOM 4831 C CA . VAL D 2 80 ? 3.474 -14.121 -104.753 1.00 12.94 ? 50 VAL D CA 1 ATOM 4832 C C . VAL D 2 80 ? 1.976 -13.816 -104.613 1.00 16.34 ? 50 VAL D C 1 ATOM 4833 O O . VAL D 2 80 ? 1.272 -14.474 -103.833 1.00 17.07 ? 50 VAL D O 1 ATOM 4834 C CB . VAL D 2 80 ? 4.362 -13.311 -103.760 1.00 15.08 ? 50 VAL D CB 1 ATOM 4835 C CG1 . VAL D 2 80 ? 3.911 -13.498 -102.309 1.00 15.63 ? 50 VAL D CG1 1 ATOM 4836 C CG2 . VAL D 2 80 ? 5.837 -13.689 -103.909 1.00 14.28 ? 50 VAL D CG2 1 ATOM 4837 N N . THR D 2 81 ? 1.476 -12.840 -105.391 1.00 14.04 ? 51 THR D N 1 ATOM 4838 C CA . THR D 2 81 ? 0.047 -12.480 -105.364 1.00 14.60 ? 51 THR D CA 1 ATOM 4839 C C . THR D 2 81 ? -0.510 -12.435 -106.799 1.00 17.59 ? 51 THR D C 1 ATOM 4840 O O . THR D 2 81 ? 0.306 -12.473 -107.721 1.00 17.06 ? 51 THR D O 1 ATOM 4841 C CB . THR D 2 81 ? -0.149 -11.128 -104.656 1.00 16.32 ? 51 THR D CB 1 ATOM 4842 O OG1 . THR D 2 81 ? 0.358 -10.091 -105.482 1.00 14.96 ? 51 THR D OG1 1 ATOM 4843 C CG2 . THR D 2 81 ? 0.469 -11.073 -103.273 1.00 11.50 ? 51 THR D CG2 1 ATOM 4844 N N . PRO D 2 82 ? -1.848 -12.284 -107.036 1.00 15.67 ? 52 PRO D N 1 ATOM 4845 C CA . PRO D 2 82 ? -2.351 -12.178 -108.426 1.00 16.07 ? 52 PRO D CA 1 ATOM 4846 C C . PRO D 2 82 ? -1.861 -10.928 -109.181 1.00 19.49 ? 52 PRO D C 1 ATOM 4847 O O . PRO D 2 82 ? -2.140 -10.781 -110.369 1.00 20.70 ? 52 PRO D O 1 ATOM 4848 C CB . PRO D 2 82 ? -3.878 -12.143 -108.250 1.00 18.19 ? 52 PRO D CB 1 ATOM 4849 C CG . PRO D 2 82 ? -4.120 -12.708 -106.903 1.00 21.31 ? 52 PRO D CG 1 ATOM 4850 C CD . PRO D 2 82 ? -2.971 -12.236 -106.082 1.00 17.09 ? 52 PRO D CD 1 ATOM 4851 N N . LEU D 2 83 ? -1.110 -10.052 -108.509 1.00 16.51 ? 53 LEU D N 1 ATOM 4852 C CA . LEU D 2 83 ? -0.522 -8.851 -109.086 1.00 15.86 ? 53 LEU D CA 1 ATOM 4853 C C . LEU D 2 83 ? 0.831 -9.197 -109.746 1.00 19.86 ? 53 LEU D C 1 ATOM 4854 O O . LEU D 2 83 ? 1.293 -8.471 -110.626 1.00 20.67 ? 53 LEU D O 1 ATOM 4855 C CB . LEU D 2 83 ? -0.359 -7.799 -107.964 1.00 15.48 ? 53 LEU D CB 1 ATOM 4856 C CG . LEU D 2 83 ? -0.031 -6.354 -108.342 1.00 19.02 ? 53 LEU D CG 1 ATOM 4857 C CD1 . LEU D 2 83 ? -1.218 -5.664 -109.027 1.00 20.04 ? 53 LEU D CD1 1 ATOM 4858 C CD2 . LEU D 2 83 ? 0.353 -5.561 -107.107 1.00 21.80 ? 53 LEU D CD2 1 ATOM 4859 N N . GLY D 2 84 ? 1.415 -10.327 -109.350 1.00 16.67 ? 54 GLY D N 1 ATOM 4860 C CA . GLY D 2 84 ? 2.713 -10.791 -109.830 1.00 15.03 ? 54 GLY D CA 1 ATOM 4861 C C . GLY D 2 84 ? 2.861 -11.563 -111.134 1.00 16.45 ? 54 GLY D C 1 ATOM 4862 O O . GLY D 2 84 ? 3.943 -11.459 -111.714 1.00 15.72 ? 54 GLY D O 1 ATOM 4863 N N . PRO D 2 85 ? 1.876 -12.389 -111.626 1.00 14.34 ? 55 PRO D N 1 ATOM 4864 C CA . PRO D 2 85 ? 2.121 -13.191 -112.844 1.00 14.35 ? 55 PRO D CA 1 ATOM 4865 C C . PRO D 2 85 ? 2.587 -12.444 -114.105 1.00 16.62 ? 55 PRO D C 1 ATOM 4866 O O . PRO D 2 85 ? 3.426 -13.040 -114.771 1.00 15.55 ? 55 PRO D O 1 ATOM 4867 C CB . PRO D 2 85 ? 0.779 -13.877 -113.099 1.00 16.50 ? 55 PRO D CB 1 ATOM 4868 C CG . PRO D 2 85 ? 0.157 -13.947 -111.791 1.00 19.62 ? 55 PRO D CG 1 ATOM 4869 C CD . PRO D 2 85 ? 0.531 -12.688 -111.091 1.00 15.82 ? 55 PRO D CD 1 ATOM 4870 N N . PRO D 2 86 ? 2.144 -11.216 -114.493 1.00 15.49 ? 56 PRO D N 1 ATOM 4871 C CA . PRO D 2 86 ? 2.696 -10.621 -115.725 1.00 15.65 ? 56 PRO D CA 1 ATOM 4872 C C . PRO D 2 86 ? 4.179 -10.234 -115.581 1.00 20.08 ? 56 PRO D C 1 ATOM 4873 O O . PRO D 2 86 ? 4.881 -10.212 -116.589 1.00 21.92 ? 56 PRO D O 1 ATOM 4874 C CB . PRO D 2 86 ? 1.800 -9.397 -115.969 1.00 16.85 ? 56 PRO D CB 1 ATOM 4875 C CG . PRO D 2 86 ? 0.583 -9.606 -115.074 1.00 20.82 ? 56 PRO D CG 1 ATOM 4876 C CD . PRO D 2 86 ? 1.139 -10.311 -113.887 1.00 16.79 ? 56 PRO D CD 1 ATOM 4877 N N . ALA D 2 87 ? 4.664 -9.955 -114.349 1.00 16.23 ? 57 ALA D N 1 ATOM 4878 C CA . ALA D 2 87 ? 6.081 -9.644 -114.106 1.00 15.46 ? 57 ALA D CA 1 ATOM 4879 C C . ALA D 2 87 ? 6.933 -10.928 -114.099 1.00 16.79 ? 57 ALA D C 1 ATOM 4880 O O . ALA D 2 87 ? 7.884 -11.009 -114.868 1.00 16.54 ? 57 ALA D O 1 ATOM 4881 C CB . ALA D 2 87 ? 6.250 -8.894 -112.791 1.00 15.47 ? 57 ALA D CB 1 ATOM 4882 N N . ALA D 2 88 ? 6.560 -11.936 -113.264 1.00 13.92 ? 58 ALA D N 1 ATOM 4883 C CA . ALA D 2 88 ? 7.264 -13.223 -113.096 1.00 14.00 ? 58 ALA D CA 1 ATOM 4884 C C . ALA D 2 88 ? 7.436 -13.978 -114.403 1.00 17.49 ? 58 ALA D C 1 ATOM 4885 O O . ALA D 2 88 ? 8.543 -14.423 -114.667 1.00 17.90 ? 58 ALA D O 1 ATOM 4886 C CB . ALA D 2 88 ? 6.540 -14.110 -112.087 1.00 15.04 ? 58 ALA D CB 1 ATOM 4887 N N . GLU D 2 89 ? 6.363 -14.098 -115.222 1.00 15.65 ? 59 GLU D N 1 ATOM 4888 C CA . GLU D 2 89 ? 6.348 -14.799 -116.510 1.00 15.94 ? 59 GLU D CA 1 ATOM 4889 C C . GLU D 2 89 ? 7.254 -14.130 -117.522 1.00 17.03 ? 59 GLU D C 1 ATOM 4890 O O . GLU D 2 89 ? 7.940 -14.818 -118.275 1.00 17.79 ? 59 GLU D O 1 ATOM 4891 C CB . GLU D 2 89 ? 4.922 -14.893 -117.081 1.00 17.71 ? 59 GLU D CB 1 ATOM 4892 C CG . GLU D 2 89 ? 4.078 -15.966 -116.419 1.00 32.59 ? 59 GLU D CG 1 ATOM 4893 C CD . GLU D 2 89 ? 2.716 -16.256 -117.030 1.00 59.23 ? 59 GLU D CD 1 ATOM 4894 O OE1 . GLU D 2 89 ? 1.974 -17.073 -116.437 1.00 50.50 ? 59 GLU D OE1 1 ATOM 4895 O OE2 . GLU D 2 89 ? 2.394 -15.686 -118.100 1.00 56.85 -1 59 GLU D OE2 1 ATOM 4896 N N . TYR D 2 90 ? 7.238 -12.792 -117.541 1.00 12.78 ? 60 TYR D N 1 ATOM 4897 C CA . TYR D 2 90 ? 8.043 -11.943 -118.399 1.00 12.12 ? 60 TYR D CA 1 ATOM 4898 C C . TYR D 2 90 ? 9.524 -12.069 -118.058 1.00 13.47 ? 60 TYR D C 1 ATOM 4899 O O . TYR D 2 90 ? 10.328 -12.230 -118.971 1.00 13.53 ? 60 TYR D O 1 ATOM 4900 C CB . TYR D 2 90 ? 7.579 -10.480 -118.261 1.00 12.56 ? 60 TYR D CB 1 ATOM 4901 C CG . TYR D 2 90 ? 8.436 -9.459 -118.984 1.00 13.48 ? 60 TYR D CG 1 ATOM 4902 C CD1 . TYR D 2 90 ? 8.507 -9.437 -120.377 1.00 15.70 ? 60 TYR D CD1 1 ATOM 4903 C CD2 . TYR D 2 90 ? 9.117 -8.475 -118.280 1.00 13.40 ? 60 TYR D CD2 1 ATOM 4904 C CE1 . TYR D 2 90 ? 9.276 -8.487 -121.045 1.00 17.99 ? 60 TYR D CE1 1 ATOM 4905 C CE2 . TYR D 2 90 ? 9.890 -7.518 -118.937 1.00 13.78 ? 60 TYR D CE2 1 ATOM 4906 C CZ . TYR D 2 90 ? 9.951 -7.516 -120.320 1.00 23.34 ? 60 TYR D CZ 1 ATOM 4907 O OH . TYR D 2 90 ? 10.695 -6.558 -120.963 1.00 26.09 ? 60 TYR D OH 1 ATOM 4908 N N . TRP D 2 91 ? 9.892 -12.014 -116.766 1.00 9.86 ? 61 TRP D N 1 ATOM 4909 C CA . TRP D 2 91 ? 11.303 -12.137 -116.383 1.00 9.82 ? 61 TRP D CA 1 ATOM 4910 C C . TRP D 2 91 ? 11.814 -13.568 -116.612 1.00 13.09 ? 61 TRP D C 1 ATOM 4911 O O . TRP D 2 91 ? 12.976 -13.743 -117.001 1.00 12.88 ? 61 TRP D O 1 ATOM 4912 C CB . TRP D 2 91 ? 11.526 -11.671 -114.931 1.00 8.75 ? 61 TRP D CB 1 ATOM 4913 C CG . TRP D 2 91 ? 11.181 -10.211 -114.725 1.00 8.93 ? 61 TRP D CG 1 ATOM 4914 C CD1 . TRP D 2 91 ? 11.343 -9.193 -115.625 1.00 10.64 ? 61 TRP D CD1 1 ATOM 4915 C CD2 . TRP D 2 91 ? 10.628 -9.616 -113.541 1.00 8.61 ? 61 TRP D CD2 1 ATOM 4916 N NE1 . TRP D 2 91 ? 10.864 -8.019 -115.100 1.00 10.34 ? 61 TRP D NE1 1 ATOM 4917 C CE2 . TRP D 2 91 ? 10.445 -8.239 -113.812 1.00 10.96 ? 61 TRP D CE2 1 ATOM 4918 C CE3 . TRP D 2 91 ? 10.281 -10.110 -112.270 1.00 9.60 ? 61 TRP D CE3 1 ATOM 4919 C CZ2 . TRP D 2 91 ? 9.950 -7.347 -112.857 1.00 10.10 ? 61 TRP D CZ2 1 ATOM 4920 C CZ3 . TRP D 2 91 ? 9.775 -9.226 -111.327 1.00 10.30 ? 61 TRP D CZ3 1 ATOM 4921 C CH2 . TRP D 2 91 ? 9.631 -7.859 -111.616 1.00 10.44 ? 61 TRP D CH2 1 ATOM 4922 N N . ASN D 2 92 ? 10.922 -14.576 -116.476 1.00 11.04 ? 62 ASN D N 1 ATOM 4923 C CA . ASN D 2 92 ? 11.280 -15.979 -116.684 1.00 11.61 ? 62 ASN D CA 1 ATOM 4924 C C . ASN D 2 92 ? 11.440 -16.329 -118.176 1.00 15.18 ? 62 ASN D C 1 ATOM 4925 O O . ASN D 2 92 ? 12.086 -17.327 -118.498 1.00 15.85 ? 62 ASN D O 1 ATOM 4926 C CB . ASN D 2 92 ? 10.263 -16.899 -116.021 1.00 12.25 ? 62 ASN D CB 1 ATOM 4927 C CG . ASN D 2 92 ? 10.444 -17.027 -114.528 1.00 22.14 ? 62 ASN D CG 1 ATOM 4928 O OD1 . ASN D 2 92 ? 11.540 -16.821 -113.977 1.00 20.33 ? 62 ASN D OD1 1 ATOM 4929 N ND2 . ASN D 2 92 ? 9.370 -17.404 -113.837 1.00 9.70 ? 62 ASN D ND2 1 ATOM 4930 N N . SER D 2 93 ? 10.869 -15.509 -119.076 1.00 13.05 ? 63 SER D N 1 ATOM 4931 C CA . SER D 2 93 ? 10.985 -15.684 -120.529 1.00 13.70 ? 63 SER D CA 1 ATOM 4932 C C . SER D 2 93 ? 12.334 -15.141 -121.067 1.00 17.65 ? 63 SER D C 1 ATOM 4933 O O . SER D 2 93 ? 12.660 -15.373 -122.228 1.00 18.29 ? 63 SER D O 1 ATOM 4934 C CB . SER D 2 93 ? 9.834 -14.972 -121.235 1.00 16.28 ? 63 SER D CB 1 ATOM 4935 O OG . SER D 2 93 ? 10.016 -13.565 -121.226 1.00 23.85 ? 63 SER D OG 1 ATOM 4936 N N . GLN D 2 94 ? 13.089 -14.398 -120.236 1.00 13.32 ? 64 GLN D N 1 ATOM 4937 C CA . GLN D 2 94 ? 14.373 -13.801 -120.623 1.00 12.57 ? 64 GLN D CA 1 ATOM 4938 C C . GLN D 2 94 ? 15.533 -14.553 -119.966 1.00 17.54 ? 64 GLN D C 1 ATOM 4939 O O . GLN D 2 94 ? 15.763 -14.397 -118.766 1.00 15.91 ? 64 GLN D O 1 ATOM 4940 C CB . GLN D 2 94 ? 14.404 -12.309 -120.245 1.00 12.25 ? 64 GLN D CB 1 ATOM 4941 C CG . GLN D 2 94 ? 13.319 -11.465 -120.916 1.00 17.58 ? 64 GLN D CG 1 ATOM 4942 C CD . GLN D 2 94 ? 13.128 -10.173 -120.161 1.00 30.63 ? 64 GLN D CD 1 ATOM 4943 O OE1 . GLN D 2 94 ? 12.291 -10.073 -119.266 1.00 26.99 ? 64 GLN D OE1 1 ATOM 4944 N NE2 . GLN D 2 94 ? 13.933 -9.163 -120.466 1.00 19.85 ? 64 GLN D NE2 1 ATOM 4945 N N . LYS D 2 95 ? 16.266 -15.364 -120.756 1.00 15.70 ? 65 LYS D N 1 ATOM 4946 C CA . LYS D 2 95 ? 17.395 -16.173 -120.258 1.00 15.62 ? 65 LYS D CA 1 ATOM 4947 C C . LYS D 2 95 ? 18.522 -15.310 -119.661 1.00 20.12 ? 65 LYS D C 1 ATOM 4948 O O . LYS D 2 95 ? 19.129 -15.726 -118.678 1.00 19.37 ? 65 LYS D O 1 ATOM 4949 C CB . LYS D 2 95 ? 17.953 -17.144 -121.318 1.00 18.59 ? 65 LYS D CB 1 ATOM 4950 C CG . LYS D 2 95 ? 18.348 -16.550 -122.670 1.00 31.81 ? 65 LYS D CG 1 ATOM 4951 C CD . LYS D 2 95 ? 19.295 -17.475 -123.462 1.00 45.58 ? 65 LYS D CD 1 ATOM 4952 C CE . LYS D 2 95 ? 18.656 -18.673 -124.134 1.00 61.17 ? 65 LYS D CE 1 ATOM 4953 N NZ . LYS D 2 95 ? 17.960 -18.304 -125.396 1.00 70.53 1 65 LYS D NZ 1 ATOM 4954 N N . GLU D 2 96 ? 18.749 -14.095 -120.199 1.00 17.20 ? 66 GLU D N 1 ATOM 4955 C CA . GLU D 2 96 ? 19.771 -13.175 -119.700 1.00 16.48 ? 66 GLU D CA 1 ATOM 4956 C C . GLU D 2 96 ? 19.409 -12.659 -118.287 1.00 17.99 ? 66 GLU D C 1 ATOM 4957 O O . GLU D 2 96 ? 20.310 -12.523 -117.455 1.00 17.97 ? 66 GLU D O 1 ATOM 4958 C CB . GLU D 2 96 ? 19.967 -12.012 -120.689 1.00 18.49 ? 66 GLU D CB 1 ATOM 4959 C CG . GLU D 2 96 ? 21.064 -11.022 -120.335 1.00 33.58 ? 66 GLU D CG 1 ATOM 4960 C CD . GLU D 2 96 ? 20.606 -9.576 -120.251 1.00 59.74 ? 66 GLU D CD 1 ATOM 4961 O OE1 . GLU D 2 96 ? 20.579 -8.895 -121.302 1.00 53.77 ? 66 GLU D OE1 1 ATOM 4962 O OE2 . GLU D 2 96 ? 20.277 -9.124 -119.129 1.00 54.40 -1 66 GLU D OE2 1 ATOM 4963 N N . VAL D 2 97 ? 18.111 -12.383 -118.015 1.00 12.47 ? 67 VAL D N 1 ATOM 4964 C CA . VAL D 2 97 ? 17.644 -11.876 -116.701 1.00 11.20 ? 67 VAL D CA 1 ATOM 4965 C C . VAL D 2 97 ? 17.810 -12.993 -115.656 1.00 14.80 ? 67 VAL D C 1 ATOM 4966 O O . VAL D 2 97 ? 18.327 -12.743 -114.562 1.00 14.04 ? 67 VAL D O 1 ATOM 4967 C CB . VAL D 2 97 ? 16.172 -11.318 -116.760 1.00 13.66 ? 67 VAL D CB 1 ATOM 4968 C CG1 . VAL D 2 97 ? 15.597 -11.037 -115.371 1.00 12.56 ? 67 VAL D CG1 1 ATOM 4969 C CG2 . VAL D 2 97 ? 16.083 -10.072 -117.638 1.00 13.02 ? 67 VAL D CG2 1 ATOM 4970 N N . LEU D 2 98 ? 17.414 -14.225 -116.020 1.00 12.34 ? 68 LEU D N 1 ATOM 4971 C CA . LEU D 2 98 ? 17.530 -15.401 -115.160 1.00 12.54 ? 68 LEU D CA 1 ATOM 4972 C C . LEU D 2 98 ? 18.980 -15.752 -114.841 1.00 16.46 ? 68 LEU D C 1 ATOM 4973 O O . LEU D 2 98 ? 19.290 -16.035 -113.686 1.00 16.85 ? 68 LEU D O 1 ATOM 4974 C CB . LEU D 2 98 ? 16.832 -16.611 -115.802 1.00 13.64 ? 68 LEU D CB 1 ATOM 4975 C CG . LEU D 2 98 ? 15.335 -16.675 -115.637 1.00 17.70 ? 68 LEU D CG 1 ATOM 4976 C CD1 . LEU D 2 98 ? 14.769 -17.814 -116.480 1.00 19.39 ? 68 LEU D CD1 1 ATOM 4977 C CD2 . LEU D 2 98 ? 14.938 -16.826 -114.150 1.00 18.52 ? 68 LEU D CD2 1 ATOM 4978 N N . GLU D 2 99 ? 19.864 -15.700 -115.839 1.00 12.83 ? 69 GLU D N 1 ATOM 4979 C CA . GLU D 2 99 ? 21.287 -15.990 -115.654 1.00 12.62 ? 69 GLU D CA 1 ATOM 4980 C C . GLU D 2 99 ? 21.961 -14.974 -114.723 1.00 16.37 ? 69 GLU D C 1 ATOM 4981 O O . GLU D 2 99 ? 22.731 -15.380 -113.854 1.00 16.59 ? 69 GLU D O 1 ATOM 4982 C CB . GLU D 2 99 ? 22.004 -16.037 -117.005 1.00 14.67 ? 69 GLU D CB 1 ATOM 4983 C CG . GLU D 2 99 ? 21.796 -17.357 -117.715 1.00 26.24 ? 69 GLU D CG 1 ATOM 4984 C CD . GLU D 2 99 ? 22.052 -17.366 -119.209 1.00 50.04 ? 69 GLU D CD 1 ATOM 4985 O OE1 . GLU D 2 99 ? 22.569 -16.357 -119.740 1.00 38.54 ? 69 GLU D OE1 1 ATOM 4986 O OE2 . GLU D 2 99 ? 21.726 -18.390 -119.853 1.00 51.20 -1 69 GLU D OE2 1 ATOM 4987 N N . ARG D 2 100 ? 21.655 -13.669 -114.886 1.00 11.86 ? 70 ARG D N 1 ATOM 4988 C CA . ARG D 2 100 ? 22.182 -12.584 -114.049 1.00 10.19 ? 70 ARG D CA 1 ATOM 4989 C C . ARG D 2 100 ? 21.645 -12.723 -112.607 1.00 12.93 ? 70 ARG D C 1 ATOM 4990 O O . ARG D 2 100 ? 22.410 -12.543 -111.658 1.00 12.52 ? 70 ARG D O 1 ATOM 4991 C CB . ARG D 2 100 ? 21.787 -11.224 -114.665 1.00 9.04 ? 70 ARG D CB 1 ATOM 4992 C CG . ARG D 2 100 ? 22.364 -9.957 -114.000 1.00 12.21 ? 70 ARG D CG 1 ATOM 4993 C CD . ARG D 2 100 ? 21.428 -9.329 -112.962 1.00 20.58 ? 70 ARG D CD 1 ATOM 4994 N NE . ARG D 2 100 ? 20.126 -8.909 -113.499 1.00 24.83 ? 70 ARG D NE 1 ATOM 4995 C CZ . ARG D 2 100 ? 18.981 -8.921 -112.811 1.00 30.63 ? 70 ARG D CZ 1 ATOM 4996 N NH1 . ARG D 2 100 ? 17.854 -8.503 -113.374 1.00 10.53 1 70 ARG D NH1 1 ATOM 4997 N NH2 . ARG D 2 100 ? 18.960 -9.346 -111.553 1.00 14.68 ? 70 ARG D NH2 1 ATOM 4998 N N . THR D 2 101 ? 20.338 -13.033 -112.441 1.00 9.32 ? 71 THR D N 1 ATOM 4999 C CA . THR D 2 101 ? 19.759 -13.151 -111.092 1.00 9.12 ? 71 THR D CA 1 ATOM 5000 C C . THR D 2 101 ? 20.351 -14.359 -110.359 1.00 13.11 ? 71 THR D C 1 ATOM 5001 O O . THR D 2 101 ? 20.678 -14.233 -109.175 1.00 12.61 ? 71 THR D O 1 ATOM 5002 C CB . THR D 2 101 ? 18.216 -13.190 -111.092 1.00 10.58 ? 71 THR D CB 1 ATOM 5003 O OG1 . THR D 2 101 ? 17.713 -12.203 -111.985 1.00 7.18 ? 71 THR D OG1 1 ATOM 5004 C CG2 . THR D 2 101 ? 17.639 -12.930 -109.715 1.00 8.03 ? 71 THR D CG2 1 ATOM 5005 N N . ARG D 2 102 ? 20.491 -15.517 -111.050 1.00 11.21 ? 72 ARG D N 1 ATOM 5006 C CA . ARG D 2 102 ? 21.098 -16.703 -110.440 1.00 11.56 ? 72 ARG D CA 1 ATOM 5007 C C . ARG D 2 102 ? 22.543 -16.394 -109.969 1.00 15.70 ? 72 ARG D C 1 ATOM 5008 O O . ARG D 2 102 ? 22.910 -16.696 -108.830 1.00 16.12 ? 72 ARG D O 1 ATOM 5009 C CB . ARG D 2 102 ? 21.089 -17.882 -111.420 1.00 11.38 ? 72 ARG D CB 1 ATOM 5010 C CG . ARG D 2 102 ? 19.755 -18.591 -111.538 1.00 10.71 ? 72 ARG D CG 1 ATOM 5011 C CD . ARG D 2 102 ? 19.685 -19.366 -112.829 1.00 11.35 ? 72 ARG D CD 1 ATOM 5012 N NE . ARG D 2 102 ? 18.339 -19.891 -113.044 1.00 14.74 ? 72 ARG D NE 1 ATOM 5013 C CZ . ARG D 2 102 ? 17.857 -20.288 -114.218 1.00 25.42 ? 72 ARG D CZ 1 ATOM 5014 N NH1 . ARG D 2 102 ? 18.605 -20.205 -115.315 1.00 12.39 1 72 ARG D NH1 1 ATOM 5015 N NH2 . ARG D 2 102 ? 16.620 -20.759 -114.307 1.00 15.88 ? 72 ARG D NH2 1 ATOM 5016 N N . ALA D 2 103 ? 23.326 -15.730 -110.829 1.00 11.63 ? 73 ALA D N 1 ATOM 5017 C CA . ALA D 2 103 ? 24.719 -15.345 -110.592 1.00 10.10 ? 73 ALA D CA 1 ATOM 5018 C C . ALA D 2 103 ? 24.893 -14.347 -109.428 1.00 14.36 ? 73 ALA D C 1 ATOM 5019 O O . ALA D 2 103 ? 25.993 -14.259 -108.867 1.00 14.14 ? 73 ALA D O 1 ATOM 5020 C CB . ALA D 2 103 ? 25.306 -14.760 -111.860 1.00 10.67 ? 73 ALA D CB 1 ATOM 5021 N N . GLU D 2 104 ? 23.818 -13.631 -109.048 1.00 11.22 ? 74 GLU D N 1 ATOM 5022 C CA . GLU D 2 104 ? 23.827 -12.649 -107.952 1.00 10.62 ? 74 GLU D CA 1 ATOM 5023 C C . GLU D 2 104 ? 24.122 -13.292 -106.596 1.00 14.15 ? 74 GLU D C 1 ATOM 5024 O O . GLU D 2 104 ? 24.497 -12.589 -105.665 1.00 14.21 ? 74 GLU D O 1 ATOM 5025 C CB . GLU D 2 104 ? 22.526 -11.839 -107.902 1.00 11.22 ? 74 GLU D CB 1 ATOM 5026 C CG . GLU D 2 104 ? 22.548 -10.692 -108.889 1.00 18.94 ? 74 GLU D CG 1 ATOM 5027 C CD . GLU D 2 104 ? 21.265 -9.912 -109.089 1.00 34.31 ? 74 GLU D CD 1 ATOM 5028 O OE1 . GLU D 2 104 ? 20.167 -10.512 -109.047 1.00 39.49 ? 74 GLU D OE1 1 ATOM 5029 O OE2 . GLU D 2 104 ? 21.370 -8.698 -109.367 1.00 19.89 -1 74 GLU D OE2 1 ATOM 5030 N N . LEU D 2 105 ? 24.011 -14.625 -106.496 1.00 11.17 ? 75 LEU D N 1 ATOM 5031 C CA . LEU D 2 105 ? 24.408 -15.371 -105.299 1.00 10.93 ? 75 LEU D CA 1 ATOM 5032 C C . LEU D 2 105 ? 25.926 -15.225 -105.137 1.00 13.77 ? 75 LEU D C 1 ATOM 5033 O O . LEU D 2 105 ? 26.417 -15.079 -104.020 1.00 12.96 ? 75 LEU D O 1 ATOM 5034 C CB . LEU D 2 105 ? 23.992 -16.861 -105.418 1.00 11.73 ? 75 LEU D CB 1 ATOM 5035 C CG . LEU D 2 105 ? 24.003 -17.693 -104.122 1.00 15.12 ? 75 LEU D CG 1 ATOM 5036 C CD1 . LEU D 2 105 ? 22.978 -17.165 -103.113 1.00 14.66 ? 75 LEU D CD1 1 ATOM 5037 C CD2 . LEU D 2 105 ? 23.725 -19.149 -104.422 1.00 15.54 ? 75 LEU D CD2 1 ATOM 5038 N N . ASP D 2 106 ? 26.648 -15.178 -106.276 1.00 10.72 ? 76 ASP D N 1 ATOM 5039 C CA . ASP D 2 106 ? 28.098 -15.011 -106.313 1.00 11.65 ? 76 ASP D CA 1 ATOM 5040 C C . ASP D 2 106 ? 28.493 -13.558 -106.394 1.00 13.57 ? 76 ASP D C 1 ATOM 5041 O O . ASP D 2 106 ? 29.340 -13.135 -105.616 1.00 13.00 ? 76 ASP D O 1 ATOM 5042 C CB . ASP D 2 106 ? 28.729 -15.775 -107.495 1.00 15.31 ? 76 ASP D CB 1 ATOM 5043 C CG . ASP D 2 106 ? 28.570 -17.276 -107.437 1.00 28.49 ? 76 ASP D CG 1 ATOM 5044 O OD1 . ASP D 2 106 ? 28.970 -17.874 -106.417 1.00 28.62 ? 76 ASP D OD1 1 ATOM 5045 O OD2 . ASP D 2 106 ? 28.087 -17.863 -108.438 1.00 38.50 -1 76 ASP D OD2 1 ATOM 5046 N N . THR D 2 107 ? 27.911 -12.799 -107.348 1.00 9.89 ? 77 THR D N 1 ATOM 5047 C CA . THR D 2 107 ? 28.273 -11.394 -107.588 1.00 9.41 ? 77 THR D CA 1 ATOM 5048 C C . THR D 2 107 ? 27.783 -10.453 -106.473 1.00 11.55 ? 77 THR D C 1 ATOM 5049 O O . THR D 2 107 ? 28.293 -9.333 -106.367 1.00 12.26 ? 77 THR D O 1 ATOM 5050 C CB . THR D 2 107 ? 27.811 -10.899 -108.975 1.00 13.02 ? 77 THR D CB 1 ATOM 5051 O OG1 . THR D 2 107 ? 26.384 -10.825 -109.026 1.00 11.82 ? 77 THR D OG1 1 ATOM 5052 C CG2 . THR D 2 107 ? 28.363 -11.739 -110.115 1.00 10.46 ? 77 THR D CG2 1 ATOM 5053 N N . VAL D 2 108 ? 26.826 -10.886 -105.645 1.00 7.73 ? 78 VAL D N 1 ATOM 5054 C CA . VAL D 2 108 ? 26.381 -10.022 -104.553 1.00 7.32 ? 78 VAL D CA 1 ATOM 5055 C C . VAL D 2 108 ? 26.602 -10.722 -103.206 1.00 10.10 ? 78 VAL D C 1 ATOM 5056 O O . VAL D 2 108 ? 27.394 -10.235 -102.413 1.00 10.28 ? 78 VAL D O 1 ATOM 5057 C CB . VAL D 2 108 ? 24.918 -9.490 -104.674 1.00 8.08 ? 78 VAL D CB 1 ATOM 5058 C CG1 . VAL D 2 108 ? 24.589 -8.535 -103.525 1.00 7.58 ? 78 VAL D CG1 1 ATOM 5059 C CG2 . VAL D 2 108 ? 24.664 -8.827 -106.022 1.00 8.00 ? 78 VAL D CG2 1 ATOM 5060 N N . CYS D 2 109 ? 25.895 -11.836 -102.946 1.00 8.99 ? 79 CYS D N 1 ATOM 5061 C CA . CYS D 2 109 ? 25.902 -12.511 -101.643 1.00 10.18 ? 79 CYS D CA 1 ATOM 5062 C C . CYS D 2 109 ? 27.280 -12.981 -101.196 1.00 13.05 ? 79 CYS D C 1 ATOM 5063 O O . CYS D 2 109 ? 27.708 -12.586 -100.116 1.00 11.84 ? 79 CYS D O 1 ATOM 5064 C CB . CYS D 2 109 ? 24.898 -13.660 -101.602 1.00 11.51 ? 79 CYS D CB 1 ATOM 5065 S SG . CYS D 2 109 ? 23.172 -13.148 -101.792 1.00 15.34 ? 79 CYS D SG 1 ATOM 5066 N N . ARG D 2 110 ? 27.951 -13.837 -101.979 1.00 10.74 ? 80 ARG D N 1 ATOM 5067 C CA . ARG D 2 110 ? 29.255 -14.373 -101.574 1.00 11.23 ? 80 ARG D CA 1 ATOM 5068 C C . ARG D 2 110 ? 30.330 -13.299 -101.627 1.00 15.83 ? 80 ARG D C 1 ATOM 5069 O O . ARG D 2 110 ? 31.189 -13.249 -100.742 1.00 15.97 ? 80 ARG D O 1 ATOM 5070 C CB . ARG D 2 110 ? 29.645 -15.580 -102.424 1.00 9.92 ? 80 ARG D CB 1 ATOM 5071 C CG . ARG D 2 110 ? 28.693 -16.746 -102.246 1.00 13.36 ? 80 ARG D CG 1 ATOM 5072 C CD . ARG D 2 110 ? 29.084 -17.896 -103.133 1.00 16.68 ? 80 ARG D CD 1 ATOM 5073 N NE . ARG D 2 110 ? 28.738 -19.159 -102.500 1.00 25.53 ? 80 ARG D NE 1 ATOM 5074 C CZ . ARG D 2 110 ? 27.997 -20.103 -103.063 1.00 43.40 ? 80 ARG D CZ 1 ATOM 5075 N NH1 . ARG D 2 110 ? 27.539 -19.948 -104.302 1.00 20.99 1 80 ARG D NH1 1 ATOM 5076 N NH2 . ARG D 2 110 ? 27.719 -21.215 -102.402 1.00 40.81 ? 80 ARG D NH2 1 ATOM 5077 N N . HIS D 2 111 ? 30.296 -12.441 -102.624 1.00 12.55 ? 81 HIS D N 1 ATOM 5078 C CA . HIS D 2 111 ? 31.190 -11.303 -102.738 1.00 11.96 ? 81 HIS D CA 1 ATOM 5079 C C . HIS D 2 111 ? 31.146 -10.363 -101.545 1.00 14.93 ? 81 HIS D C 1 ATOM 5080 O O . HIS D 2 111 ? 32.153 -10.066 -100.961 1.00 14.92 ? 81 HIS D O 1 ATOM 5081 C CB . HIS D 2 111 ? 30.983 -10.535 -104.034 1.00 12.21 ? 81 HIS D CB 1 ATOM 5082 C CG . HIS D 2 111 ? 31.788 -9.281 -104.116 1.00 15.62 ? 81 HIS D CG 1 ATOM 5083 N ND1 . HIS D 2 111 ? 33.102 -9.265 -104.484 1.00 18.03 ? 81 HIS D ND1 1 ATOM 5084 C CD2 . HIS D 2 111 ? 31.471 -8.005 -103.820 1.00 17.18 ? 81 HIS D CD2 1 ATOM 5085 C CE1 . HIS D 2 111 ? 33.554 -8.036 -104.432 1.00 17.94 ? 81 HIS D CE1 1 ATOM 5086 N NE2 . HIS D 2 111 ? 32.590 -7.258 -104.013 1.00 17.56 ? 81 HIS D NE2 1 ATOM 5087 N N . ASN D 2 112 ? 29.956 -9.951 -101.178 1.00 10.69 ? 82 ASN D N 1 ATOM 5088 C CA . ASN D 2 112 ? 29.754 -9.069 -100.052 1.00 10.36 ? 82 ASN D CA 1 ATOM 5089 C C . ASN D 2 112 ? 30.027 -9.697 -98.673 1.00 14.34 ? 82 ASN D C 1 ATOM 5090 O O . ASN D 2 112 ? 30.289 -9.018 -97.761 1.00 14.65 ? 82 ASN D O 1 ATOM 5091 C CB . ASN D 2 112 ? 28.354 -8.449 -100.068 1.00 7.58 ? 82 ASN D CB 1 ATOM 5092 C CG . ASN D 2 112 ? 28.206 -7.293 -101.032 1.00 17.20 ? 82 ASN D CG 1 ATOM 5093 O OD1 . ASN D 2 112 ? 29.080 -6.953 -101.760 1.00 10.28 ? 82 ASN D OD1 1 ATOM 5094 N ND2 . ASN D 2 112 ? 27.061 -6.725 -101.039 1.00 10.70 ? 82 ASN D ND2 1 ATOM 5095 N N . TYR D 2 113 ? 29.893 -10.998 -98.555 1.00 11.43 ? 83 TYR D N 1 ATOM 5096 C CA . TYR D 2 113 ? 30.152 -11.702 -97.326 1.00 12.04 ? 83 TYR D CA 1 ATOM 5097 C C . TYR D 2 113 ? 31.622 -11.579 -96.933 1.00 16.67 ? 83 TYR D C 1 ATOM 5098 O O . TYR D 2 113 ? 31.922 -11.436 -95.799 1.00 17.71 ? 83 TYR D O 1 ATOM 5099 C CB . TYR D 2 113 ? 29.636 -13.156 -97.344 1.00 14.07 ? 83 TYR D CB 1 ATOM 5100 C CG . TYR D 2 113 ? 29.670 -13.806 -95.997 1.00 16.39 ? 83 TYR D CG 1 ATOM 5101 C CD1 . TYR D 2 113 ? 28.673 -13.599 -95.094 1.00 18.02 ? 83 TYR D CD1 1 ATOM 5102 C CD2 . TYR D 2 113 ? 30.730 -14.571 -95.610 1.00 18.15 ? 83 TYR D CD2 1 ATOM 5103 C CE1 . TYR D 2 113 ? 28.709 -14.155 -93.853 1.00 19.64 ? 83 TYR D CE1 1 ATOM 5104 C CE2 . TYR D 2 113 ? 30.774 -15.140 -94.365 1.00 19.66 ? 83 TYR D CE2 1 ATOM 5105 C CZ . TYR D 2 113 ? 29.763 -14.920 -93.487 1.00 26.61 ? 83 TYR D CZ 1 ATOM 5106 O OH . TYR D 2 113 ? 29.814 -15.465 -92.258 1.00 26.66 ? 83 TYR D OH 1 ATOM 5107 N N . GLN D 2 114 ? 32.500 -11.600 -97.927 1.00 11.38 ? 84 GLN D N 1 ATOM 5108 C CA . GLN D 2 114 ? 33.930 -11.430 -97.753 1.00 10.86 ? 84 GLN D CA 1 ATOM 5109 C C . GLN D 2 114 ? 34.218 -10.095 -97.146 1.00 15.72 ? 84 GLN D C 1 ATOM 5110 O O . GLN D 2 114 ? 35.019 -9.984 -96.296 1.00 17.30 ? 84 GLN D O 1 ATOM 5111 C CB . GLN D 2 114 ? 34.661 -11.573 -99.084 1.00 11.49 ? 84 GLN D CB 1 ATOM 5112 C CG . GLN D 2 114 ? 34.666 -12.970 -99.671 1.00 13.94 ? 84 GLN D CG 1 ATOM 5113 C CD . GLN D 2 114 ? 35.158 -14.037 -98.713 1.00 28.74 ? 84 GLN D CD 1 ATOM 5114 O OE1 . GLN D 2 114 ? 34.416 -14.897 -98.310 1.00 25.86 ? 84 GLN D OE1 1 ATOM 5115 N NE2 . GLN D 2 114 ? 36.396 -13.948 -98.326 1.00 19.78 ? 84 GLN D NE2 1 ATOM 5116 N N . LEU D 2 115 ? 33.500 -9.100 -97.604 1.00 12.28 ? 85 LEU D N 1 ATOM 5117 C CA . LEU D 2 115 ? 33.517 -7.756 -97.069 1.00 12.15 ? 85 LEU D CA 1 ATOM 5118 C C . LEU D 2 115 ? 33.007 -7.652 -95.638 1.00 16.28 ? 85 LEU D C 1 ATOM 5119 O O . LEU D 2 115 ? 33.528 -6.902 -94.893 1.00 16.07 ? 85 LEU D O 1 ATOM 5120 C CB . LEU D 2 115 ? 32.830 -6.775 -97.994 1.00 11.91 ? 85 LEU D CB 1 ATOM 5121 C CG . LEU D 2 115 ? 33.319 -6.724 -99.424 1.00 15.45 ? 85 LEU D CG 1 ATOM 5122 C CD1 . LEU D 2 115 ? 32.381 -6.029 -100.335 1.00 14.69 ? 85 LEU D CD1 1 ATOM 5123 C CD2 . LEU D 2 115 ? 34.645 -6.065 -99.496 1.00 18.59 ? 85 LEU D CD2 1 ATOM 5124 N N . GLU D 2 116 ? 31.994 -8.422 -95.288 1.00 12.62 ? 86 GLU D N 1 ATOM 5125 C CA . GLU D 2 116 ? 31.489 -8.509 -93.936 1.00 11.94 ? 86 GLU D CA 1 ATOM 5126 C C . GLU D 2 116 ? 32.509 -9.067 -92.936 1.00 17.31 ? 86 GLU D C 1 ATOM 5127 O O . GLU D 2 116 ? 32.589 -8.612 -91.836 1.00 17.06 ? 86 GLU D O 1 ATOM 5128 C CB . GLU D 2 116 ? 30.201 -9.313 -93.872 1.00 12.60 ? 86 GLU D CB 1 ATOM 5129 C CG . GLU D 2 116 ? 29.033 -8.817 -94.690 1.00 19.63 ? 86 GLU D CG 1 ATOM 5130 C CD . GLU D 2 116 ? 28.599 -7.395 -94.396 1.00 33.04 ? 86 GLU D CD 1 ATOM 5131 O OE1 . GLU D 2 116 ? 28.995 -6.825 -93.400 1.00 17.70 ? 86 GLU D OE1 1 ATOM 5132 O OE2 . GLU D 2 116 ? 27.842 -6.860 -95.167 1.00 18.49 -1 86 GLU D OE2 1 ATOM 5133 N N . LEU D 2 117 ? 33.280 -10.048 -93.362 1.00 13.99 ? 87 LEU D N 1 ATOM 5134 C CA . LEU D 2 117 ? 34.292 -10.674 -92.556 1.00 13.75 ? 87 LEU D CA 1 ATOM 5135 C C . LEU D 2 117 ? 35.371 -9.671 -92.140 1.00 20.25 ? 87 LEU D C 1 ATOM 5136 O O . LEU D 2 117 ? 35.806 -9.682 -91.036 1.00 20.93 ? 87 LEU D O 1 ATOM 5137 C CB . LEU D 2 117 ? 34.886 -11.867 -93.287 1.00 13.40 ? 87 LEU D CB 1 ATOM 5138 C CG . LEU D 2 117 ? 34.104 -13.159 -93.484 1.00 16.56 ? 87 LEU D CG 1 ATOM 5139 C CD1 . LEU D 2 117 ? 34.694 -14.064 -94.526 1.00 15.89 ? 87 LEU D CD1 1 ATOM 5140 C CD2 . LEU D 2 117 ? 33.917 -13.916 -92.212 1.00 17.71 ? 87 LEU D CD2 1 ATOM 5141 N N . ARG D 2 118 ? 35.746 -8.793 -93.057 1.00 16.92 ? 88 ARG D N 1 ATOM 5142 C CA . ARG D 2 118 ? 36.647 -7.676 -92.816 1.00 17.01 ? 88 ARG D CA 1 ATOM 5143 C C . ARG D 2 118 ? 36.107 -6.610 -91.861 1.00 21.18 ? 88 ARG D C 1 ATOM 5144 O O . ARG D 2 118 ? 36.866 -5.922 -91.246 1.00 22.19 ? 88 ARG D O 1 ATOM 5145 C CB . ARG D 2 118 ? 37.083 -7.027 -94.116 1.00 16.96 ? 88 ARG D CB 1 ATOM 5146 C CG . ARG D 2 118 ? 37.751 -7.935 -95.120 1.00 25.13 ? 88 ARG D CG 1 ATOM 5147 C CD . ARG D 2 118 ? 38.437 -7.144 -96.216 1.00 38.25 ? 88 ARG D CD 1 ATOM 5148 N NE . ARG D 2 118 ? 38.329 -7.788 -97.508 1.00 53.07 ? 88 ARG D NE 1 ATOM 5149 C CZ . ARG D 2 118 ? 38.117 -7.158 -98.664 1.00 71.24 ? 88 ARG D CZ 1 ATOM 5150 N NH1 . ARG D 2 118 ? 38.004 -5.844 -98.704 1.00 59.01 1 88 ARG D NH1 1 ATOM 5151 N NH2 . ARG D 2 118 ? 38.004 -7.849 -99.786 1.00 59.29 ? 88 ARG D NH2 1 ATOM 5152 N N . THR D 2 119 ? 34.793 -6.450 -91.833 1.00 16.67 ? 89 THR D N 1 ATOM 5153 C CA . THR D 2 119 ? 34.127 -5.370 -91.143 1.00 16.36 ? 89 THR D CA 1 ATOM 5154 C C . THR D 2 119 ? 33.145 -5.765 -90.020 1.00 20.52 ? 89 THR D C 1 ATOM 5155 O O . THR D 2 119 ? 33.507 -5.863 -88.886 1.00 21.14 ? 89 THR D O 1 ATOM 5156 C CB . THR D 2 119 ? 33.471 -4.385 -92.150 1.00 18.22 ? 89 THR D CB 1 ATOM 5157 O OG1 . THR D 2 119 ? 32.512 -5.059 -92.945 1.00 17.88 ? 89 THR D OG1 1 ATOM 5158 C CG2 . THR D 2 119 ? 34.493 -3.756 -93.029 1.00 13.84 ? 89 THR D CG2 1 ATOM 5159 N N . THR D 2 120 ? 31.915 -6.044 -90.374 1.00 16.02 ? 90 THR D N 1 ATOM 5160 C CA . THR D 2 120 ? 30.876 -6.292 -89.421 1.00 16.37 ? 90 THR D CA 1 ATOM 5161 C C . THR D 2 120 ? 31.141 -7.475 -88.477 1.00 21.31 ? 90 THR D C 1 ATOM 5162 O O . THR D 2 120 ? 30.975 -7.344 -87.311 1.00 21.50 ? 90 THR D O 1 ATOM 5163 C CB . THR D 2 120 ? 29.539 -6.507 -90.136 1.00 24.17 ? 90 THR D CB 1 ATOM 5164 O OG1 . THR D 2 120 ? 29.259 -5.397 -90.967 1.00 26.98 ? 90 THR D OG1 1 ATOM 5165 C CG2 . THR D 2 120 ? 28.469 -6.571 -89.174 1.00 22.84 ? 90 THR D CG2 1 ATOM 5166 N N . LEU D 2 121 ? 31.647 -8.558 -89.018 1.00 16.62 ? 91 LEU D N 1 ATOM 5167 C CA . LEU D 2 121 ? 31.875 -9.790 -88.341 1.00 16.57 ? 91 LEU D CA 1 ATOM 5168 C C . LEU D 2 121 ? 33.188 -9.806 -87.584 1.00 20.89 ? 91 LEU D C 1 ATOM 5169 O O . LEU D 2 121 ? 33.572 -10.775 -87.036 1.00 20.51 ? 91 LEU D O 1 ATOM 5170 C CB . LEU D 2 121 ? 31.781 -10.945 -89.296 1.00 16.27 ? 91 LEU D CB 1 ATOM 5171 C CG . LEU D 2 121 ? 30.466 -11.157 -89.997 1.00 20.31 ? 91 LEU D CG 1 ATOM 5172 C CD1 . LEU D 2 121 ? 30.554 -12.255 -90.997 1.00 19.77 ? 91 LEU D CD1 1 ATOM 5173 C CD2 . LEU D 2 121 ? 29.303 -11.346 -89.067 1.00 23.41 ? 91 LEU D CD2 1 ATOM 5174 N N . GLN D 2 122 ? 33.871 -8.693 -87.609 1.00 17.79 ? 92 GLN D N 1 ATOM 5175 C CA . GLN D 2 122 ? 34.996 -8.483 -86.775 1.00 18.31 ? 92 GLN D CA 1 ATOM 5176 C C . GLN D 2 122 ? 34.752 -7.469 -85.656 1.00 21.86 ? 92 GLN D C 1 ATOM 5177 O O . GLN D 2 122 ? 35.562 -7.306 -84.767 1.00 22.07 ? 92 GLN D O 1 ATOM 5178 C CB . GLN D 2 122 ? 36.175 -8.090 -87.627 1.00 19.99 ? 92 GLN D CB 1 ATOM 5179 C CG . GLN D 2 122 ? 37.328 -9.032 -87.405 1.00 39.15 ? 92 GLN D CG 1 ATOM 5180 C CD . GLN D 2 122 ? 38.320 -9.035 -88.517 1.00 59.01 ? 92 GLN D CD 1 ATOM 5181 O OE1 . GLN D 2 122 ? 38.819 -10.055 -88.893 1.00 54.08 ? 92 GLN D OE1 1 ATOM 5182 N NE2 . GLN D 2 122 ? 38.632 -7.876 -89.018 1.00 54.84 ? 92 GLN D NE2 1 ATOM 5183 N N . ARG D 2 123 ? 33.620 -6.807 -85.716 1.00 16.49 ? 93 ARG D N 1 ATOM 5184 C CA . ARG D 2 123 ? 33.301 -5.769 -84.774 1.00 15.75 ? 93 ARG D CA 1 ATOM 5185 C C . ARG D 2 123 ? 33.072 -6.309 -83.359 1.00 20.12 ? 93 ARG D C 1 ATOM 5186 O O . ARG D 2 123 ? 32.318 -7.209 -83.155 1.00 18.85 ? 93 ARG D O 1 ATOM 5187 C CB . ARG D 2 123 ? 32.093 -4.991 -85.264 1.00 12.79 ? 93 ARG D CB 1 ATOM 5188 C CG . ARG D 2 123 ? 31.566 -3.941 -84.332 1.00 15.74 ? 93 ARG D CG 1 ATOM 5189 C CD . ARG D 2 123 ? 30.568 -3.053 -85.026 1.00 15.47 ? 93 ARG D CD 1 ATOM 5190 N NE . ARG D 2 123 ? 29.781 -2.194 -84.171 1.00 15.27 ? 93 ARG D NE 1 ATOM 5191 C CZ . ARG D 2 123 ? 30.193 -1.060 -83.666 1.00 19.26 ? 93 ARG D CZ 1 ATOM 5192 N NH1 . ARG D 2 123 ? 31.386 -0.648 -83.876 1.00 4.32 1 93 ARG D NH1 1 ATOM 5193 N NH2 . ARG D 2 123 ? 29.414 -0.375 -82.911 1.00 8.62 ? 93 ARG D NH2 1 ATOM 5194 N N . ARG D 2 124 ? 33.729 -5.699 -82.397 1.00 17.88 ? 94 ARG D N 1 ATOM 5195 C CA . ARG D 2 124 ? 33.635 -6.121 -81.026 1.00 18.96 ? 94 ARG D CA 1 ATOM 5196 C C . ARG D 2 124 ? 33.569 -4.909 -80.127 1.00 23.69 ? 94 ARG D C 1 ATOM 5197 O O . ARG D 2 124 ? 34.490 -4.151 -80.043 1.00 25.57 ? 94 ARG D O 1 ATOM 5198 C CB . ARG D 2 124 ? 34.759 -7.085 -80.617 1.00 20.13 ? 94 ARG D CB 1 ATOM 5199 C CG . ARG D 2 124 ? 35.841 -7.350 -81.638 1.00 29.44 ? 94 ARG D CG 1 ATOM 5200 C CD . ARG D 2 124 ? 36.721 -8.556 -81.359 1.00 32.86 ? 94 ARG D CD 1 ATOM 5201 N NE . ARG D 2 124 ? 37.163 -9.105 -82.626 1.00 33.11 ? 94 ARG D NE 1 ATOM 5202 C CZ . ARG D 2 124 ? 37.595 -10.328 -82.839 1.00 39.50 ? 94 ARG D CZ 1 ATOM 5203 N NH1 . ARG D 2 124 ? 37.705 -11.175 -81.853 1.00 25.63 1 94 ARG D NH1 1 ATOM 5204 N NH2 . ARG D 2 124 ? 37.918 -10.697 -84.052 1.00 22.63 ? 94 ARG D NH2 1 ATOM 5205 N N . VAL D 2 125 ? 32.440 -4.715 -79.490 1.00 18.54 ? 95 VAL D N 1 ATOM 5206 C CA . VAL D 2 125 ? 32.250 -3.600 -78.573 1.00 19.19 ? 95 VAL D CA 1 ATOM 5207 C C . VAL D 2 125 ? 31.900 -4.230 -77.231 1.00 23.58 ? 95 VAL D C 1 ATOM 5208 O O . VAL D 2 125 ? 30.851 -4.847 -77.092 1.00 21.18 ? 95 VAL D O 1 ATOM 5209 C CB . VAL D 2 125 ? 31.227 -2.528 -79.061 1.00 22.44 ? 95 VAL D CB 1 ATOM 5210 C CG1 . VAL D 2 125 ? 31.177 -1.350 -78.098 1.00 23.62 ? 95 VAL D CG1 1 ATOM 5211 C CG2 . VAL D 2 125 ? 31.571 -2.037 -80.468 1.00 21.08 ? 95 VAL D CG2 1 ATOM 5212 N N . GLU D 2 126 ? 32.849 -4.163 -76.283 1.00 23.78 ? 96 GLU D N 1 ATOM 5213 C CA . GLU D 2 126 ? 32.708 -4.723 -74.943 1.00 25.84 ? 96 GLU D CA 1 ATOM 5214 C C . GLU D 2 126 ? 31.581 -4.016 -74.192 1.00 32.57 ? 96 GLU D C 1 ATOM 5215 O O . GLU D 2 126 ? 31.465 -2.793 -74.290 1.00 32.77 ? 96 GLU D O 1 ATOM 5216 C CB . GLU D 2 126 ? 34.019 -4.626 -74.152 1.00 28.51 ? 96 GLU D CB 1 ATOM 5217 C CG . GLU D 2 126 ? 35.154 -5.484 -74.683 1.00 39.04 ? 96 GLU D CG 1 ATOM 5218 C CD . GLU D 2 126 ? 36.372 -5.559 -73.779 1.00 66.22 ? 96 GLU D CD 1 ATOM 5219 O OE1 . GLU D 2 126 ? 36.572 -4.637 -72.953 1.00 63.86 ? 96 GLU D OE1 1 ATOM 5220 O OE2 . GLU D 2 126 ? 37.134 -6.545 -73.903 1.00 64.09 -1 96 GLU D OE2 1 ATOM 5221 N N . PRO D 2 127 ? 30.709 -4.759 -73.485 1.00 30.92 ? 97 PRO D N 1 ATOM 5222 C CA . PRO D 2 127 ? 29.605 -4.095 -72.777 1.00 32.74 ? 97 PRO D CA 1 ATOM 5223 C C . PRO D 2 127 ? 30.037 -3.375 -71.498 1.00 40.65 ? 97 PRO D C 1 ATOM 5224 O O . PRO D 2 127 ? 30.977 -3.803 -70.825 1.00 41.34 ? 97 PRO D O 1 ATOM 5225 C CB . PRO D 2 127 ? 28.652 -5.244 -72.447 1.00 34.51 ? 97 PRO D CB 1 ATOM 5226 C CG . PRO D 2 127 ? 29.514 -6.447 -72.372 1.00 38.65 ? 97 PRO D CG 1 ATOM 5227 C CD . PRO D 2 127 ? 30.674 -6.226 -73.302 1.00 32.68 ? 97 PRO D CD 1 ATOM 5228 N N . THR D 2 128 ? 29.329 -2.280 -71.175 1.00 39.02 ? 98 THR D N 1 ATOM 5229 C CA . THR D 2 128 ? 29.501 -1.497 -69.953 1.00 41.34 ? 98 THR D CA 1 ATOM 5230 C C . THR D 2 128 ? 28.447 -2.020 -68.970 1.00 47.42 ? 98 THR D C 1 ATOM 5231 O O . THR D 2 128 ? 27.255 -1.981 -69.281 1.00 46.75 ? 98 THR D O 1 ATOM 5232 C CB . THR D 2 128 ? 29.387 0.012 -70.245 1.00 49.12 ? 98 THR D CB 1 ATOM 5233 O OG1 . THR D 2 128 ? 30.309 0.367 -71.281 1.00 47.96 ? 98 THR D OG1 1 ATOM 5234 C CG2 . THR D 2 128 ? 29.637 0.872 -69.004 1.00 48.45 ? 98 THR D CG2 1 ATOM 5235 N N . VAL D 2 129 ? 28.888 -2.560 -67.821 1.00 45.88 ? 99 VAL D N 1 ATOM 5236 C CA . VAL D 2 129 ? 27.999 -3.152 -66.818 1.00 47.25 ? 99 VAL D CA 1 ATOM 5237 C C . VAL D 2 129 ? 27.979 -2.262 -65.559 1.00 53.88 ? 99 VAL D C 1 ATOM 5238 O O . VAL D 2 129 ? 29.026 -1.998 -64.964 1.00 54.15 ? 99 VAL D O 1 ATOM 5239 C CB . VAL D 2 129 ? 28.395 -4.624 -66.504 1.00 50.97 ? 99 VAL D CB 1 ATOM 5240 C CG1 . VAL D 2 129 ? 27.410 -5.268 -65.536 1.00 52.30 ? 99 VAL D CG1 1 ATOM 5241 C CG2 . VAL D 2 129 ? 28.504 -5.454 -67.786 1.00 48.42 ? 99 VAL D CG2 1 ATOM 5242 N N . THR D 2 130 ? 26.777 -1.793 -65.179 1.00 51.97 ? 100 THR D N 1 ATOM 5243 C CA . THR D 2 130 ? 26.546 -0.914 -64.024 1.00 54.33 ? 100 THR D CA 1 ATOM 5244 C C . THR D 2 130 ? 25.240 -1.276 -63.313 1.00 59.98 ? 100 THR D C 1 ATOM 5245 O O . THR D 2 130 ? 24.255 -1.609 -63.977 1.00 57.94 ? 100 THR D O 1 ATOM 5246 C CB . THR D 2 130 ? 26.523 0.567 -64.460 1.00 62.67 ? 100 THR D CB 1 ATOM 5247 O OG1 . THR D 2 130 ? 25.960 0.668 -65.767 1.00 62.67 ? 100 THR D OG1 1 ATOM 5248 C CG2 . THR D 2 130 ? 27.903 1.199 -64.466 1.00 61.36 ? 100 THR D CG2 1 ATOM 5249 N N . ILE D 2 131 ? 25.235 -1.197 -61.960 1.00 60.23 ? 101 ILE D N 1 ATOM 5250 C CA . ILE D 2 131 ? 24.058 -1.480 -61.121 1.00 62.37 ? 101 ILE D CA 1 ATOM 5251 C C . ILE D 2 131 ? 23.560 -0.163 -60.491 1.00 68.87 ? 101 ILE D C 1 ATOM 5252 O O . ILE D 2 131 ? 24.340 0.546 -59.851 1.00 69.60 ? 101 ILE D O 1 ATOM 5253 C CB . ILE D 2 131 ? 24.310 -2.580 -60.036 1.00 66.93 ? 101 ILE D CB 1 ATOM 5254 C CG1 . ILE D 2 131 ? 24.897 -3.882 -60.640 1.00 65.40 ? 101 ILE D CG1 1 ATOM 5255 C CG2 . ILE D 2 131 ? 23.023 -2.882 -59.261 1.00 69.26 ? 101 ILE D CG2 1 ATOM 5256 C CD1 . ILE D 2 131 ? 25.460 -4.892 -59.603 1.00 73.66 ? 101 ILE D CD1 1 ATOM 5257 N N . SER D 2 132 ? 22.260 0.149 -60.688 1.00 66.26 ? 102 SER D N 1 ATOM 5258 C CA . SER D 2 132 ? 21.578 1.336 -60.155 1.00 68.32 ? 102 SER D CA 1 ATOM 5259 C C . SER D 2 132 ? 20.387 0.909 -59.274 1.00 74.10 ? 102 SER D C 1 ATOM 5260 O O . SER D 2 132 ? 19.700 -0.050 -59.638 1.00 72.28 ? 102 SER D O 1 ATOM 5261 C CB . SER D 2 132 ? 21.107 2.238 -61.292 1.00 70.44 ? 102 SER D CB 1 ATOM 5262 N N . PRO D 2 133 ? 20.116 1.575 -58.118 1.00 74.01 ? 103 PRO D N 1 ATOM 5263 C CA . PRO D 2 133 ? 18.997 1.132 -57.267 1.00 78.47 ? 103 PRO D CA 1 ATOM 5264 C C . PRO D 2 133 ? 17.659 1.775 -57.655 1.00 104.81 ? 103 PRO D C 1 ATOM 5265 O O . PRO D 2 133 ? 17.399 2.951 -57.403 1.00 68.06 ? 103 PRO D O 1 ATOM 5266 C CB . PRO D 2 133 ? 19.448 1.522 -55.855 1.00 82.96 ? 103 PRO D CB 1 ATOM 5267 C CG . PRO D 2 133 ? 20.506 2.583 -56.042 1.00 86.32 ? 103 PRO D CG 1 ATOM 5268 C CD . PRO D 2 133 ? 20.823 2.719 -57.507 1.00 78.08 ? 103 PRO D CD 1 ATOM 5269 N N . LEU D 2 144 ? 14.070 -3.599 -58.170 1.00 80.36 ? 114 LEU D N 1 ATOM 5270 C CA . LEU D 2 144 ? 14.799 -2.826 -57.164 1.00 81.98 ? 114 LEU D CA 1 ATOM 5271 C C . LEU D 2 144 ? 16.193 -2.448 -57.691 1.00 83.03 ? 114 LEU D C 1 ATOM 5272 O O . LEU D 2 144 ? 16.494 -1.256 -57.773 1.00 82.70 ? 114 LEU D O 1 ATOM 5273 C CB . LEU D 2 144 ? 14.889 -3.590 -55.831 1.00 84.74 ? 114 LEU D CB 1 ATOM 5274 N N . LEU D 2 145 ? 17.029 -3.451 -58.061 1.00 77.33 ? 115 LEU D N 1 ATOM 5275 C CA . LEU D 2 145 ? 18.360 -3.236 -58.653 1.00 74.68 ? 115 LEU D CA 1 ATOM 5276 C C . LEU D 2 145 ? 18.328 -3.591 -60.132 1.00 74.76 ? 115 LEU D C 1 ATOM 5277 O O . LEU D 2 145 ? 17.905 -4.690 -60.495 1.00 73.27 ? 115 LEU D O 1 ATOM 5278 C CB . LEU D 2 145 ? 19.471 -4.048 -57.954 1.00 75.13 ? 115 LEU D CB 1 ATOM 5279 C CG . LEU D 2 145 ? 19.994 -3.580 -56.597 1.00 82.68 ? 115 LEU D CG 1 ATOM 5280 C CD1 . LEU D 2 145 ? 21.017 -4.556 -56.078 1.00 83.19 ? 115 LEU D CD1 1 ATOM 5281 C CD2 . LEU D 2 145 ? 20.632 -2.196 -56.667 1.00 84.85 ? 115 LEU D CD2 1 ATOM 5282 N N . VAL D 2 146 ? 18.772 -2.672 -60.988 1.00 69.46 ? 116 VAL D N 1 ATOM 5283 C CA . VAL D 2 146 ? 18.772 -2.937 -62.422 1.00 66.11 ? 116 VAL D CA 1 ATOM 5284 C C . VAL D 2 146 ? 20.221 -2.978 -62.948 1.00 66.95 ? 116 VAL D C 1 ATOM 5285 O O . VAL D 2 146 ? 20.991 -2.033 -62.748 1.00 66.52 ? 116 VAL D O 1 ATOM 5286 C CB . VAL D 2 146 ? 17.845 -1.972 -63.229 1.00 69.61 ? 116 VAL D CB 1 ATOM 5287 C CG1 . VAL D 2 146 ? 18.151 -0.496 -62.961 1.00 70.58 ? 116 VAL D CG1 1 ATOM 5288 C CG2 . VAL D 2 146 ? 17.860 -2.285 -64.727 1.00 66.34 ? 116 VAL D CG2 1 ATOM 5289 N N . CYS D 2 147 ? 20.579 -4.111 -63.586 1.00 61.31 ? 117 CYS D N 1 ATOM 5290 C CA . CYS D 2 147 ? 21.881 -4.318 -64.223 1.00 58.75 ? 117 CYS D CA 1 ATOM 5291 C C . CYS D 2 147 ? 21.814 -3.762 -65.648 1.00 56.51 ? 117 CYS D C 1 ATOM 5292 O O . CYS D 2 147 ? 21.214 -4.378 -66.533 1.00 54.37 ? 117 CYS D O 1 ATOM 5293 C CB . CYS D 2 147 ? 22.289 -5.790 -64.208 1.00 59.08 ? 117 CYS D CB 1 ATOM 5294 S SG . CYS D 2 147 ? 24.035 -6.070 -64.602 1.00 61.94 ? 117 CYS D SG 1 ATOM 5295 N N . SER D 2 148 ? 22.380 -2.562 -65.840 1.00 50.50 ? 118 SER D N 1 ATOM 5296 C CA . SER D 2 148 ? 22.405 -1.856 -67.115 1.00 47.27 ? 118 SER D CA 1 ATOM 5297 C C . SER D 2 148 ? 23.627 -2.303 -67.954 1.00 45.70 ? 118 SER D C 1 ATOM 5298 O O . SER D 2 148 ? 24.742 -1.803 -67.749 1.00 45.09 ? 118 SER D O 1 ATOM 5299 C CB . SER D 2 148 ? 22.397 -0.347 -66.873 1.00 52.31 ? 118 SER D CB 1 ATOM 5300 O OG . SER D 2 148 ? 22.744 0.404 -68.024 1.00 62.05 ? 118 SER D OG 1 ATOM 5301 N N . VAL D 2 149 ? 23.404 -3.279 -68.869 1.00 38.19 ? 119 VAL D N 1 ATOM 5302 C CA . VAL D 2 149 ? 24.413 -3.847 -69.784 1.00 35.35 ? 119 VAL D CA 1 ATOM 5303 C C . VAL D 2 149 ? 24.316 -3.066 -71.100 1.00 36.49 ? 119 VAL D C 1 ATOM 5304 O O . VAL D 2 149 ? 23.540 -3.430 -71.985 1.00 35.12 ? 119 VAL D O 1 ATOM 5305 C CB . VAL D 2 149 ? 24.239 -5.380 -69.984 1.00 38.01 ? 119 VAL D CB 1 ATOM 5306 C CG1 . VAL D 2 149 ? 25.381 -5.963 -70.810 1.00 35.84 ? 119 VAL D CG1 1 ATOM 5307 C CG2 . VAL D 2 149 ? 24.108 -6.108 -68.651 1.00 39.74 ? 119 VAL D CG2 1 ATOM 5308 N N . THR D 2 150 ? 25.079 -1.970 -71.207 1.00 31.79 ? 120 THR D N 1 ATOM 5309 C CA . THR D 2 150 ? 24.979 -1.067 -72.349 1.00 29.64 ? 120 THR D CA 1 ATOM 5310 C C . THR D 2 150 ? 26.150 -1.151 -73.339 1.00 30.30 ? 120 THR D C 1 ATOM 5311 O O . THR D 2 150 ? 27.213 -1.704 -73.041 1.00 29.07 ? 120 THR D O 1 ATOM 5312 C CB . THR D 2 150 ? 24.796 0.389 -71.859 1.00 36.36 ? 120 THR D CB 1 ATOM 5313 O OG1 . THR D 2 150 ? 25.749 0.681 -70.835 1.00 35.21 ? 120 THR D OG1 1 ATOM 5314 C CG2 . THR D 2 150 ? 23.385 0.661 -71.341 1.00 36.65 ? 120 THR D CG2 1 ATOM 5315 N N . ASP D 2 151 ? 25.885 -0.608 -74.549 1.00 25.55 ? 121 ASP D N 1 ATOM 5316 C CA . ASP D 2 151 ? 26.738 -0.416 -75.722 1.00 23.97 ? 121 ASP D CA 1 ATOM 5317 C C . ASP D 2 151 ? 27.613 -1.620 -76.079 1.00 25.21 ? 121 ASP D C 1 ATOM 5318 O O . ASP D 2 151 ? 28.832 -1.510 -76.052 1.00 24.73 ? 121 ASP D O 1 ATOM 5319 C CB . ASP D 2 151 ? 27.611 0.844 -75.551 1.00 27.17 ? 121 ASP D CB 1 ATOM 5320 C CG . ASP D 2 151 ? 26.844 2.154 -75.512 1.00 39.06 ? 121 ASP D CG 1 ATOM 5321 O OD1 . ASP D 2 151 ? 25.882 2.305 -76.302 1.00 38.94 ? 121 ASP D OD1 1 ATOM 5322 O OD2 . ASP D 2 151 ? 27.226 3.044 -74.710 1.00 48.79 -1 121 ASP D OD2 1 ATOM 5323 N N . PHE D 2 152 ? 26.997 -2.746 -76.462 1.00 20.47 ? 122 PHE D N 1 ATOM 5324 C CA . PHE D 2 152 ? 27.754 -3.931 -76.866 1.00 18.97 ? 122 PHE D CA 1 ATOM 5325 C C . PHE D 2 152 ? 27.412 -4.404 -78.306 1.00 20.39 ? 122 PHE D C 1 ATOM 5326 O O . PHE D 2 152 ? 26.326 -4.130 -78.818 1.00 19.48 ? 122 PHE D O 1 ATOM 5327 C CB . PHE D 2 152 ? 27.581 -5.078 -75.859 1.00 21.42 ? 122 PHE D CB 1 ATOM 5328 C CG . PHE D 2 152 ? 26.180 -5.597 -75.640 1.00 22.94 ? 122 PHE D CG 1 ATOM 5329 C CD1 . PHE D 2 152 ? 25.644 -6.576 -76.472 1.00 24.69 ? 122 PHE D CD1 1 ATOM 5330 C CD2 . PHE D 2 152 ? 25.420 -5.157 -74.564 1.00 26.91 ? 122 PHE D CD2 1 ATOM 5331 C CE1 . PHE D 2 152 ? 24.363 -7.085 -76.245 1.00 26.32 ? 122 PHE D CE1 1 ATOM 5332 C CE2 . PHE D 2 152 ? 24.130 -5.653 -74.350 1.00 30.05 ? 122 PHE D CE2 1 ATOM 5333 C CZ . PHE D 2 152 ? 23.609 -6.611 -75.193 1.00 26.98 ? 122 PHE D CZ 1 ATOM 5334 N N . TYR D 2 153 ? 28.367 -5.100 -78.946 1.00 16.10 ? 123 TYR D N 1 ATOM 5335 C CA . TYR D 2 153 ? 28.262 -5.675 -80.290 1.00 14.46 ? 123 TYR D CA 1 ATOM 5336 C C . TYR D 2 153 ? 29.278 -6.837 -80.440 1.00 19.71 ? 123 TYR D C 1 ATOM 5337 O O . TYR D 2 153 ? 30.430 -6.648 -80.046 1.00 19.91 ? 123 TYR D O 1 ATOM 5338 C CB . TYR D 2 153 ? 28.469 -4.624 -81.406 1.00 14.45 ? 123 TYR D CB 1 ATOM 5339 C CG . TYR D 2 153 ? 27.934 -5.099 -82.743 1.00 14.37 ? 123 TYR D CG 1 ATOM 5340 C CD1 . TYR D 2 153 ? 28.715 -5.878 -83.593 1.00 15.46 ? 123 TYR D CD1 1 ATOM 5341 C CD2 . TYR D 2 153 ? 26.620 -4.838 -83.124 1.00 14.71 ? 123 TYR D CD2 1 ATOM 5342 C CE1 . TYR D 2 153 ? 28.209 -6.373 -84.792 1.00 14.91 ? 123 TYR D CE1 1 ATOM 5343 C CE2 . TYR D 2 153 ? 26.108 -5.314 -84.332 1.00 14.52 ? 123 TYR D CE2 1 ATOM 5344 C CZ . TYR D 2 153 ? 26.901 -6.092 -85.156 1.00 19.82 ? 123 TYR D CZ 1 ATOM 5345 O OH . TYR D 2 153 ? 26.392 -6.587 -86.332 1.00 19.04 ? 123 TYR D OH 1 ATOM 5346 N N . PRO D 2 154 ? 28.912 -8.044 -80.969 1.00 16.11 ? 124 PRO D N 1 ATOM 5347 C CA . PRO D 2 154 ? 27.610 -8.463 -81.534 1.00 15.56 ? 124 PRO D CA 1 ATOM 5348 C C . PRO D 2 154 ? 26.502 -8.667 -80.482 1.00 21.74 ? 124 PRO D C 1 ATOM 5349 O O . PRO D 2 154 ? 26.725 -8.444 -79.291 1.00 22.33 ? 124 PRO D O 1 ATOM 5350 C CB . PRO D 2 154 ? 27.967 -9.749 -82.295 1.00 16.64 ? 124 PRO D CB 1 ATOM 5351 C CG . PRO D 2 154 ? 29.135 -10.311 -81.552 1.00 21.51 ? 124 PRO D CG 1 ATOM 5352 C CD . PRO D 2 154 ? 29.922 -9.114 -81.103 1.00 17.38 ? 124 PRO D CD 1 ATOM 5353 N N . ALA D 2 155 ? 25.289 -9.032 -80.947 1.00 18.75 ? 125 ALA D N 1 ATOM 5354 C CA . ALA D 2 155 ? 24.060 -9.202 -80.147 1.00 20.25 ? 125 ALA D CA 1 ATOM 5355 C C . ALA D 2 155 ? 24.113 -10.268 -79.045 1.00 28.10 ? 125 ALA D C 1 ATOM 5356 O O . ALA D 2 155 ? 23.409 -10.103 -78.049 1.00 28.82 ? 125 ALA D O 1 ATOM 5357 C CB . ALA D 2 155 ? 22.883 -9.512 -81.062 1.00 20.29 ? 125 ALA D CB 1 ATOM 5358 N N . GLN D 2 156 ? 24.934 -11.299 -79.151 1.00 26.75 ? 126 GLN D N 1 ATOM 5359 C CA . GLN D 2 156 ? 24.976 -12.331 -78.122 1.00 28.15 ? 126 GLN D CA 1 ATOM 5360 C C . GLN D 2 156 ? 25.388 -11.917 -76.767 1.00 33.21 ? 126 GLN D C 1 ATOM 5361 O O . GLN D 2 156 ? 26.378 -11.323 -76.569 1.00 33.15 ? 126 GLN D O 1 ATOM 5362 C CB . GLN D 2 156 ? 25.710 -13.537 -78.577 1.00 29.67 ? 126 GLN D CB 1 ATOM 5363 C CG . GLN D 2 156 ? 25.333 -13.855 -79.991 1.00 56.72 ? 126 GLN D CG 1 ATOM 5364 C CD . GLN D 2 156 ? 26.418 -13.465 -80.949 1.00 82.69 ? 126 GLN D CD 1 ATOM 5365 O OE1 . GLN D 2 156 ? 26.216 -12.671 -81.863 1.00 75.08 ? 126 GLN D OE1 1 ATOM 5366 N NE2 . GLN D 2 156 ? 27.600 -14.034 -80.731 1.00 76.86 ? 126 GLN D NE2 1 ATOM 5367 N N . ILE D 2 157 ? 24.576 -12.261 -75.815 1.00 30.68 ? 127 ILE D N 1 ATOM 5368 C CA . ILE D 2 157 ? 24.817 -11.838 -74.431 1.00 31.96 ? 127 ILE D CA 1 ATOM 5369 C C . ILE D 2 157 ? 24.178 -12.828 -73.407 1.00 39.10 ? 127 ILE D C 1 ATOM 5370 O O . ILE D 2 157 ? 23.147 -13.449 -73.680 1.00 38.83 ? 127 ILE D O 1 ATOM 5371 C CB . ILE D 2 157 ? 24.309 -10.365 -74.222 1.00 34.90 ? 127 ILE D CB 1 ATOM 5372 C CG1 . ILE D 2 157 ? 24.875 -9.713 -72.936 1.00 36.77 ? 127 ILE D CG1 1 ATOM 5373 C CG2 . ILE D 2 157 ? 22.781 -10.222 -74.287 1.00 35.65 ? 127 ILE D CG2 1 ATOM 5374 C CD1 . ILE D 2 157 ? 26.195 -8.992 -73.122 1.00 42.28 ? 127 ILE D CD1 1 ATOM 5375 N N . LYS D 2 158 ? 24.818 -12.959 -72.236 1.00 38.82 ? 128 LYS D N 1 ATOM 5376 C CA . LYS D 2 158 ? 24.383 -13.784 -71.102 1.00 41.66 ? 128 LYS D CA 1 ATOM 5377 C C . LYS D 2 158 ? 24.537 -12.962 -69.832 1.00 48.78 ? 128 LYS D C 1 ATOM 5378 O O . LYS D 2 158 ? 25.655 -12.577 -69.498 1.00 48.45 ? 128 LYS D O 1 ATOM 5379 C CB . LYS D 2 158 ? 25.184 -15.100 -71.018 1.00 44.59 ? 128 LYS D CB 1 ATOM 5380 N N . VAL D 2 159 ? 23.415 -12.629 -69.166 1.00 48.27 ? 129 VAL D N 1 ATOM 5381 C CA . VAL D 2 159 ? 23.415 -11.812 -67.945 1.00 50.67 ? 129 VAL D CA 1 ATOM 5382 C C . VAL D 2 159 ? 22.813 -12.621 -66.792 1.00 59.39 ? 129 VAL D C 1 ATOM 5383 O O . VAL D 2 159 ? 21.781 -13.273 -66.972 1.00 59.82 ? 129 VAL D O 1 ATOM 5384 C CB . VAL D 2 159 ? 22.685 -10.454 -68.143 1.00 54.33 ? 129 VAL D CB 1 ATOM 5385 C CG1 . VAL D 2 159 ? 22.865 -9.548 -66.926 1.00 55.98 ? 129 VAL D CG1 1 ATOM 5386 C CG2 . VAL D 2 159 ? 23.165 -9.740 -69.408 1.00 51.81 ? 129 VAL D CG2 1 ATOM 5387 N N . ARG D 2 160 ? 23.468 -12.581 -65.612 1.00 59.16 ? 130 ARG D N 1 ATOM 5388 C CA . ARG D 2 160 ? 23.052 -13.318 -64.406 1.00 61.76 ? 130 ARG D CA 1 ATOM 5389 C C . ARG D 2 160 ? 23.047 -12.449 -63.142 1.00 68.71 ? 130 ARG D C 1 ATOM 5390 O O . ARG D 2 160 ? 23.857 -11.529 -63.021 1.00 67.72 ? 130 ARG D O 1 ATOM 5391 C CB . ARG D 2 160 ? 23.992 -14.513 -64.156 1.00 62.04 ? 130 ARG D CB 1 ATOM 5392 C CG . ARG D 2 160 ? 23.958 -15.603 -65.218 1.00 73.20 ? 130 ARG D CG 1 ATOM 5393 C CD . ARG D 2 160 ? 24.990 -16.671 -64.923 1.00 87.72 ? 130 ARG D CD 1 ATOM 5394 N NE . ARG D 2 160 ? 25.140 -17.598 -66.044 1.00 99.11 ? 130 ARG D NE 1 ATOM 5395 C CZ . ARG D 2 160 ? 25.250 -18.917 -65.924 1.00 117.13 ? 130 ARG D CZ 1 ATOM 5396 N NH1 . ARG D 2 160 ? 25.224 -19.487 -64.724 1.00 108.56 ? 130 ARG D NH1 1 ATOM 5397 N NH2 . ARG D 2 160 ? 25.386 -19.678 -67.001 1.00 103.70 ? 130 ARG D NH2 1 ATOM 5398 N N . TRP D 2 161 ? 22.125 -12.716 -62.222 1.00 68.84 ? 131 TRP D N 1 ATOM 5399 C CA . TRP D 2 161 ? 22.140 -12.065 -60.925 1.00 71.63 ? 131 TRP D CA 1 ATOM 5400 C C . TRP D 2 161 ? 22.642 -13.029 -59.851 1.00 79.95 ? 131 TRP D C 1 ATOM 5401 O O . TRP D 2 161 ? 22.567 -14.235 -60.012 1.00 79.52 ? 131 TRP D O 1 ATOM 5402 C CB . TRP D 2 161 ? 20.780 -11.528 -60.572 1.00 71.54 ? 131 TRP D CB 1 ATOM 5403 C CG . TRP D 2 161 ? 20.510 -10.204 -61.116 1.00 71.24 ? 131 TRP D CG 1 ATOM 5404 C CD1 . TRP D 2 161 ? 19.665 -9.910 -62.105 1.00 72.72 ? 131 TRP D CD1 1 ATOM 5405 C CD2 . TRP D 2 161 ? 21.060 -8.977 -60.683 1.00 71.49 ? 131 TRP D CD2 1 ATOM 5406 N NE1 . TRP D 2 161 ? 19.644 -8.577 -62.337 1.00 71.69 ? 131 TRP D NE1 1 ATOM 5407 C CE2 . TRP D 2 161 ? 20.501 -7.977 -61.467 1.00 74.24 ? 131 TRP D CE2 1 ATOM 5408 C CE3 . TRP D 2 161 ? 21.969 -8.626 -59.700 1.00 74.08 ? 131 TRP D CE3 1 ATOM 5409 C CZ2 . TRP D 2 161 ? 20.828 -6.661 -61.317 1.00 73.74 ? 131 TRP D CZ2 1 ATOM 5410 C CZ3 . TRP D 2 161 ? 22.286 -7.334 -59.553 1.00 75.71 ? 131 TRP D CZ3 1 ATOM 5411 C CH2 . TRP D 2 161 ? 21.721 -6.358 -60.354 1.00 75.19 ? 131 TRP D CH2 1 ATOM 5412 N N . PHE D 2 162 ? 23.277 -12.475 -58.823 1.00 80.08 ? 132 PHE D N 1 ATOM 5413 C CA . PHE D 2 162 ? 23.843 -13.254 -57.721 1.00 83.03 ? 132 PHE D CA 1 ATOM 5414 C C . PHE D 2 162 ? 23.744 -12.525 -56.368 1.00 91.31 ? 132 PHE D C 1 ATOM 5415 O O . PHE D 2 162 ? 24.079 -11.341 -56.270 1.00 90.47 ? 132 PHE D O 1 ATOM 5416 C CB . PHE D 2 162 ? 25.318 -13.568 -57.993 1.00 83.80 ? 132 PHE D CB 1 ATOM 5417 C CG . PHE D 2 162 ? 25.555 -14.754 -58.886 1.00 83.98 ? 132 PHE D CG 1 ATOM 5418 C CD1 . PHE D 2 162 ? 25.635 -14.602 -60.245 1.00 84.27 ? 132 PHE D CD1 1 ATOM 5419 C CD2 . PHE D 2 162 ? 25.761 -16.004 -58.360 1.00 87.69 ? 132 PHE D CD2 1 ATOM 5420 C CE1 . PHE D 2 162 ? 25.886 -15.672 -61.060 1.00 83.91 ? 132 PHE D CE1 1 ATOM 5421 C CE2 . PHE D 2 162 ? 26.016 -17.078 -59.165 1.00 89.30 ? 132 PHE D CE2 1 ATOM 5422 C CZ . PHE D 2 162 ? 26.079 -16.913 -60.522 1.00 84.53 ? 132 PHE D CZ 1 ATOM 5423 N N . ARG D 2 163 ? 23.329 -13.260 -55.335 1.00 92.13 ? 133 ARG D N 1 ATOM 5424 C CA . ARG D 2 163 ? 23.262 -12.783 -53.947 1.00 95.68 ? 133 ARG D CA 1 ATOM 5425 C C . ARG D 2 163 ? 24.185 -13.667 -53.131 1.00 103.02 ? 133 ARG D C 1 ATOM 5426 O O . ARG D 2 163 ? 23.977 -14.862 -53.075 1.00 103.64 ? 133 ARG D O 1 ATOM 5427 C CB . ARG D 2 163 ? 21.834 -12.949 -53.451 1.00 97.89 ? 133 ARG D CB 1 ATOM 5428 C CG . ARG D 2 163 ? 21.498 -12.213 -52.175 1.00 111.42 ? 133 ARG D CG 1 ATOM 5429 C CD . ARG D 2 163 ? 20.096 -12.536 -51.691 1.00 123.70 ? 133 ARG D CD 1 ATOM 5430 N NE . ARG D 2 163 ? 19.991 -13.876 -51.112 1.00 134.88 ? 133 ARG D NE 1 ATOM 5431 C CZ . ARG D 2 163 ? 19.762 -14.139 -49.820 1.00 151.78 ? 133 ARG D CZ 1 ATOM 5432 N NH1 . ARG D 2 163 ? 19.619 -13.155 -48.939 1.00 139.83 ? 133 ARG D NH1 1 ATOM 5433 N NH2 . ARG D 2 163 ? 19.682 -15.396 -49.407 1.00 139.98 ? 133 ARG D NH2 1 ATOM 5434 N N . ASN D 2 164 ? 25.186 -13.103 -52.476 1.00 101.31 ? 134 ASN D N 1 ATOM 5435 C CA . ASN D 2 164 ? 26.194 -13.947 -51.831 1.00 102.65 ? 134 ASN D CA 1 ATOM 5436 C C . ASN D 2 164 ? 26.831 -14.765 -52.948 1.00 105.02 ? 134 ASN D C 1 ATOM 5437 O O . ASN D 2 164 ? 27.321 -14.204 -53.903 1.00 101.99 ? 134 ASN D O 1 ATOM 5438 C CB . ASN D 2 164 ? 25.577 -14.872 -50.761 1.00 105.71 ? 134 ASN D CB 1 ATOM 5439 C CG . ASN D 2 164 ? 25.115 -14.145 -49.538 1.00 127.68 ? 134 ASN D CG 1 ATOM 5440 O OD1 . ASN D 2 164 ? 25.334 -12.964 -49.389 1.00 120.63 ? 134 ASN D OD1 1 ATOM 5441 N ND2 . ASN D 2 164 ? 24.454 -14.863 -48.654 1.00 121.95 ? 134 ASN D ND2 1 ATOM 5442 N N . ASP D 2 165 ? 26.879 -16.078 -52.815 1.00 103.21 ? 135 ASP D N 1 ATOM 5443 C CA . ASP D 2 165 ? 27.245 -16.940 -53.914 1.00 101.10 ? 135 ASP D CA 1 ATOM 5444 C C . ASP D 2 165 ? 26.040 -17.613 -54.455 1.00 105.06 ? 135 ASP D C 1 ATOM 5445 O O . ASP D 2 165 ? 26.171 -18.522 -55.257 1.00 103.28 ? 135 ASP D O 1 ATOM 5446 C CB . ASP D 2 165 ? 28.244 -18.007 -53.477 1.00 104.14 ? 135 ASP D CB 1 ATOM 5447 N N . GLN D 2 166 ? 24.865 -17.235 -53.979 1.00 103.56 ? 136 GLN D N 1 ATOM 5448 C CA . GLN D 2 166 ? 23.669 -17.843 -54.501 1.00 103.52 ? 136 GLN D CA 1 ATOM 5449 C C . GLN D 2 166 ? 23.394 -17.314 -55.902 1.00 104.71 ? 136 GLN D C 1 ATOM 5450 O O . GLN D 2 166 ? 23.658 -16.165 -56.199 1.00 103.08 ? 136 GLN D O 1 ATOM 5451 C CB . GLN D 2 166 ? 22.485 -17.589 -53.592 1.00 107.53 ? 136 GLN D CB 1 ATOM 5452 N N . GLU D 2 167 ? 22.910 -18.175 -56.779 1.00 100.24 ? 137 GLU D N 1 ATOM 5453 C CA . GLU D 2 167 ? 22.299 -17.739 -58.015 1.00 97.52 ? 137 GLU D CA 1 ATOM 5454 C C . GLU D 2 167 ? 20.839 -17.400 -57.722 1.00 102.79 ? 137 GLU D C 1 ATOM 5455 O O . GLU D 2 167 ? 20.331 -17.724 -56.653 1.00 105.40 ? 137 GLU D O 1 ATOM 5456 C CB . GLU D 2 167 ? 22.415 -18.809 -59.088 1.00 97.25 ? 137 GLU D CB 1 ATOM 5457 N N . GLU D 2 168 ? 20.163 -16.749 -58.656 1.00 97.07 ? 138 GLU D N 1 ATOM 5458 C CA . GLU D 2 168 ? 18.739 -16.503 -58.506 1.00 97.90 ? 138 GLU D CA 1 ATOM 5459 C C . GLU D 2 168 ? 17.975 -16.699 -59.825 1.00 99.27 ? 138 GLU D C 1 ATOM 5460 O O . GLU D 2 168 ? 18.566 -16.651 -60.888 1.00 96.14 ? 138 GLU D O 1 ATOM 5461 C CB . GLU D 2 168 ? 18.539 -15.103 -57.972 1.00 99.86 ? 138 GLU D CB 1 ATOM 5462 N N . THR D 2 169 ? 16.680 -17.004 -59.751 1.00 96.83 ? 139 THR D N 1 ATOM 5463 C CA . THR D 2 169 ? 15.775 -16.881 -60.884 1.00 94.82 ? 139 THR D CA 1 ATOM 5464 C C . THR D 2 169 ? 14.484 -16.105 -60.602 1.00 99.42 ? 139 THR D C 1 ATOM 5465 O O . THR D 2 169 ? 13.945 -15.441 -61.480 1.00 97.29 ? 139 THR D O 1 ATOM 5466 C CB . THR D 2 169 ? 15.400 -18.248 -61.470 1.00 103.00 ? 139 THR D CB 1 ATOM 5467 N N . THR D 2 170 ? 13.974 -16.218 -59.389 1.00 98.67 ? 140 THR D N 1 ATOM 5468 C CA . THR D 2 170 ? 12.675 -15.655 -59.050 1.00 100.04 ? 140 THR D CA 1 ATOM 5469 C C . THR D 2 170 ? 12.562 -14.156 -59.111 1.00 102.48 ? 140 THR D C 1 ATOM 5470 O O . THR D 2 170 ? 11.590 -13.618 -59.607 1.00 101.99 ? 140 THR D O 1 ATOM 5471 C CB . THR D 2 170 ? 12.248 -16.058 -57.620 1.00 111.28 ? 140 THR D CB 1 ATOM 5472 N N . GLY D 2 171 ? 13.560 -13.468 -58.607 1.00 97.79 ? 141 GLY D N 1 ATOM 5473 C CA . GLY D 2 171 ? 13.430 -12.047 -58.399 1.00 97.13 ? 141 GLY D CA 1 ATOM 5474 C C . GLY D 2 171 ? 13.810 -11.283 -59.637 1.00 95.90 ? 141 GLY D C 1 ATOM 5475 O O . GLY D 2 171 ? 13.873 -10.063 -59.612 1.00 95.31 ? 141 GLY D O 1 ATOM 5476 N N . VAL D 2 172 ? 14.107 -12.021 -60.700 1.00 88.52 ? 142 VAL D N 1 ATOM 5477 C CA . VAL D 2 172 ? 14.718 -11.468 -61.903 1.00 84.36 ? 142 VAL D CA 1 ATOM 5478 C C . VAL D 2 172 ? 13.849 -11.456 -63.176 1.00 84.94 ? 142 VAL D C 1 ATOM 5479 O O . VAL D 2 172 ? 13.432 -12.481 -63.692 1.00 84.03 ? 142 VAL D O 1 ATOM 5480 C CB . VAL D 2 172 ? 15.999 -12.241 -62.194 1.00 86.49 ? 142 VAL D CB 1 ATOM 5481 C CG1 . VAL D 2 172 ? 15.644 -13.656 -62.593 1.00 86.19 ? 142 VAL D CG1 1 ATOM 5482 C CG2 . VAL D 2 172 ? 16.818 -11.542 -63.251 1.00 83.32 ? 142 VAL D CG2 1 ATOM 5483 N N . VAL D 2 173 ? 13.648 -10.254 -63.688 1.00 79.07 ? 143 VAL D N 1 ATOM 5484 C CA . VAL D 2 173 ? 12.840 -9.967 -64.872 1.00 76.37 ? 143 VAL D CA 1 ATOM 5485 C C . VAL D 2 173 ? 13.681 -9.127 -65.842 1.00 75.54 ? 143 VAL D C 1 ATOM 5486 O O . VAL D 2 173 ? 14.025 -7.978 -65.540 1.00 75.52 ? 143 VAL D O 1 ATOM 5487 C CB . VAL D 2 173 ? 11.503 -9.278 -64.517 1.00 81.90 ? 143 VAL D CB 1 ATOM 5488 N N . SER D 2 174 ? 14.046 -9.719 -66.987 1.00 67.67 ? 144 SER D N 1 ATOM 5489 C CA . SER D 2 174 ? 14.863 -9.049 -67.994 1.00 63.94 ? 144 SER D CA 1 ATOM 5490 C C . SER D 2 174 ? 14.022 -8.474 -69.133 1.00 63.46 ? 144 SER D C 1 ATOM 5491 O O . SER D 2 174 ? 13.046 -9.092 -69.572 1.00 62.98 ? 144 SER D O 1 ATOM 5492 C CB . SER D 2 174 ? 15.902 -10.011 -68.567 1.00 65.60 ? 144 SER D CB 1 ATOM 5493 O OG . SER D 2 174 ? 16.625 -9.446 -69.650 1.00 71.81 ? 144 SER D OG 1 ATOM 5494 N N . THR D 2 175 ? 14.441 -7.300 -69.632 1.00 56.34 ? 145 THR D N 1 ATOM 5495 C CA . THR D 2 175 ? 13.842 -6.658 -70.797 1.00 53.49 ? 145 THR D CA 1 ATOM 5496 C C . THR D 2 175 ? 14.333 -7.410 -72.024 1.00 52.98 ? 145 THR D C 1 ATOM 5497 O O . THR D 2 175 ? 15.439 -7.960 -71.950 1.00 52.15 ? 145 THR D O 1 ATOM 5498 C CB . THR D 2 175 ? 14.251 -5.166 -70.885 1.00 59.69 ? 145 THR D CB 1 ATOM 5499 O OG1 . THR D 2 175 ? 15.654 -5.055 -71.147 1.00 56.90 ? 145 THR D OG1 1 ATOM 5500 C CG2 . THR D 2 175 ? 13.851 -4.356 -69.667 1.00 61.84 ? 145 THR D CG2 1 ATOM 5501 N N . PRO D 2 176 ? 13.626 -7.405 -73.183 1.00 46.25 ? 146 PRO D N 1 ATOM 5502 C CA . PRO D 2 176 ? 14.208 -8.050 -74.381 1.00 43.06 ? 146 PRO D CA 1 ATOM 5503 C C . PRO D 2 176 ? 15.471 -7.307 -74.849 1.00 43.46 ? 146 PRO D C 1 ATOM 5504 O O . PRO D 2 176 ? 15.768 -6.224 -74.323 1.00 43.43 ? 146 PRO D O 1 ATOM 5505 C CB . PRO D 2 176 ? 13.085 -7.955 -75.422 1.00 44.13 ? 146 PRO D CB 1 ATOM 5506 C CG . PRO D 2 176 ? 12.230 -6.822 -74.973 1.00 50.00 ? 146 PRO D CG 1 ATOM 5507 C CD . PRO D 2 176 ? 12.313 -6.789 -73.478 1.00 47.95 ? 146 PRO D CD 1 ATOM 5508 N N . LEU D 2 177 ? 16.223 -7.880 -75.819 1.00 36.87 ? 147 LEU D N 1 ATOM 5509 C CA . LEU D 2 177 ? 17.422 -7.230 -76.364 1.00 34.12 ? 147 LEU D CA 1 ATOM 5510 C C . LEU D 2 177 ? 17.005 -5.910 -77.029 1.00 36.19 ? 147 LEU D C 1 ATOM 5511 O O . LEU D 2 177 ? 16.025 -5.889 -77.783 1.00 35.65 ? 147 LEU D O 1 ATOM 5512 C CB . LEU D 2 177 ? 18.145 -8.161 -77.350 1.00 32.28 ? 147 LEU D CB 1 ATOM 5513 C CG . LEU D 2 177 ? 19.465 -7.670 -77.949 1.00 35.31 ? 147 LEU D CG 1 ATOM 5514 C CD1 . LEU D 2 177 ? 20.632 -7.902 -76.996 1.00 36.14 ? 147 LEU D CD1 1 ATOM 5515 C CD2 . LEU D 2 177 ? 19.741 -8.369 -79.251 1.00 35.61 ? 147 LEU D CD2 1 ATOM 5516 N N . ILE D 2 178 ? 17.689 -4.804 -76.668 1.00 31.33 ? 148 ILE D N 1 ATOM 5517 C CA . ILE D 2 178 ? 17.378 -3.462 -77.173 1.00 30.04 ? 148 ILE D CA 1 ATOM 5518 C C . ILE D 2 178 ? 18.343 -3.107 -78.296 1.00 30.77 ? 148 ILE D C 1 ATOM 5519 O O . ILE D 2 178 ? 19.557 -3.188 -78.114 1.00 30.68 ? 148 ILE D O 1 ATOM 5520 C CB . ILE D 2 178 ? 17.391 -2.381 -76.040 1.00 34.65 ? 148 ILE D CB 1 ATOM 5521 C CG1 . ILE D 2 178 ? 16.460 -2.747 -74.841 1.00 37.14 ? 148 ILE D CG1 1 ATOM 5522 C CG2 . ILE D 2 178 ? 17.111 -0.965 -76.564 1.00 34.69 ? 148 ILE D CG2 1 ATOM 5523 C CD1 . ILE D 2 178 ? 14.906 -2.767 -75.083 1.00 46.78 ? 148 ILE D CD1 1 ATOM 5524 N N . ARG D 2 179 ? 17.791 -2.697 -79.445 1.00 24.59 ? 149 ARG D N 1 ATOM 5525 C CA . ARG D 2 179 ? 18.559 -2.266 -80.607 1.00 21.62 ? 149 ARG D CA 1 ATOM 5526 C C . ARG D 2 179 ? 18.656 -0.740 -80.581 1.00 25.44 ? 149 ARG D C 1 ATOM 5527 O O . ARG D 2 179 ? 17.643 -0.060 -80.753 1.00 25.41 ? 149 ARG D O 1 ATOM 5528 C CB . ARG D 2 179 ? 17.912 -2.775 -81.911 1.00 16.70 ? 149 ARG D CB 1 ATOM 5529 C CG . ARG D 2 179 ? 18.748 -2.478 -83.152 1.00 21.93 ? 149 ARG D CG 1 ATOM 5530 C CD . ARG D 2 179 ? 18.083 -2.915 -84.453 1.00 27.14 ? 149 ARG D CD 1 ATOM 5531 N NE . ARG D 2 179 ? 17.921 -4.368 -84.544 1.00 26.70 ? 149 ARG D NE 1 ATOM 5532 C CZ . ARG D 2 179 ? 18.858 -5.210 -84.968 1.00 34.01 ? 149 ARG D CZ 1 ATOM 5533 N NH1 . ARG D 2 179 ? 20.050 -4.757 -85.342 1.00 18.35 1 149 ARG D NH1 1 ATOM 5534 N NH2 . ARG D 2 179 ? 18.615 -6.513 -85.011 1.00 21.82 ? 149 ARG D NH2 1 ATOM 5535 N N . ASN D 2 180 ? 19.866 -0.203 -80.347 1.00 21.88 ? 150 ASN D N 1 ATOM 5536 C CA . ASN D 2 180 ? 20.079 1.246 -80.291 1.00 22.45 ? 150 ASN D CA 1 ATOM 5537 C C . ASN D 2 180 ? 20.057 1.888 -81.685 1.00 25.94 ? 150 ASN D C 1 ATOM 5538 O O . ASN D 2 180 ? 19.740 3.074 -81.805 1.00 25.99 ? 150 ASN D O 1 ATOM 5539 C CB . ASN D 2 180 ? 21.391 1.573 -79.585 1.00 21.43 ? 150 ASN D CB 1 ATOM 5540 C CG . ASN D 2 180 ? 21.418 1.216 -78.128 1.00 27.15 ? 150 ASN D CG 1 ATOM 5541 O OD1 . ASN D 2 180 ? 20.406 1.266 -77.437 1.00 15.73 ? 150 ASN D OD1 1 ATOM 5542 N ND2 . ASN D 2 180 ? 22.594 0.881 -77.622 1.00 19.99 ? 150 ASN D ND2 1 ATOM 5543 N N . GLY D 2 181 ? 20.395 1.103 -82.705 1.00 21.63 ? 151 GLY D N 1 ATOM 5544 C CA . GLY D 2 181 ? 20.422 1.537 -84.100 1.00 20.48 ? 151 GLY D CA 1 ATOM 5545 C C . GLY D 2 181 ? 21.737 2.130 -84.566 1.00 23.97 ? 151 GLY D C 1 ATOM 5546 O O . GLY D 2 181 ? 21.886 2.408 -85.756 1.00 22.39 ? 151 GLY D O 1 ATOM 5547 N N . ASP D 2 182 ? 22.685 2.371 -83.628 1.00 20.95 ? 152 ASP D N 1 ATOM 5548 C CA . ASP D 2 182 ? 24.019 2.909 -83.927 1.00 20.24 ? 152 ASP D CA 1 ATOM 5549 C C . ASP D 2 182 ? 25.078 1.786 -83.829 1.00 22.04 ? 152 ASP D C 1 ATOM 5550 O O . ASP D 2 182 ? 26.240 2.033 -83.488 1.00 22.94 ? 152 ASP D O 1 ATOM 5551 C CB . ASP D 2 182 ? 24.357 4.103 -83.010 1.00 23.82 ? 152 ASP D CB 1 ATOM 5552 C CG . ASP D 2 182 ? 24.210 3.871 -81.514 1.00 34.65 ? 152 ASP D CG 1 ATOM 5553 O OD1 . ASP D 2 182 ? 24.161 2.695 -81.094 1.00 33.32 ? 152 ASP D OD1 1 ATOM 5554 O OD2 . ASP D 2 182 ? 24.155 4.870 -80.764 1.00 44.25 -1 152 ASP D OD2 1 ATOM 5555 N N . TRP D 2 183 ? 24.645 0.546 -84.140 1.00 15.77 ? 153 TRP D N 1 ATOM 5556 C CA . TRP D 2 183 ? 25.421 -0.693 -84.154 1.00 14.60 ? 153 TRP D CA 1 ATOM 5557 C C . TRP D 2 183 ? 25.845 -1.122 -82.752 1.00 19.45 ? 153 TRP D C 1 ATOM 5558 O O . TRP D 2 183 ? 26.897 -1.746 -82.578 1.00 19.90 ? 153 TRP D O 1 ATOM 5559 C CB . TRP D 2 183 ? 26.627 -0.592 -85.092 1.00 12.63 ? 153 TRP D CB 1 ATOM 5560 C CG . TRP D 2 183 ? 26.236 -0.499 -86.531 1.00 12.33 ? 153 TRP D CG 1 ATOM 5561 C CD1 . TRP D 2 183 ? 25.806 0.611 -87.201 1.00 15.28 ? 153 TRP D CD1 1 ATOM 5562 C CD2 . TRP D 2 183 ? 26.227 -1.570 -87.476 1.00 11.01 ? 153 TRP D CD2 1 ATOM 5563 N NE1 . TRP D 2 183 ? 25.541 0.298 -88.513 1.00 13.59 ? 153 TRP D NE1 1 ATOM 5564 C CE2 . TRP D 2 183 ? 25.813 -1.032 -88.717 1.00 14.24 ? 153 TRP D CE2 1 ATOM 5565 C CE3 . TRP D 2 183 ? 26.543 -2.936 -87.401 1.00 12.00 ? 153 TRP D CE3 1 ATOM 5566 C CZ2 . TRP D 2 183 ? 25.688 -1.821 -89.869 1.00 12.65 ? 153 TRP D CZ2 1 ATOM 5567 C CZ3 . TRP D 2 183 ? 26.442 -3.709 -88.551 1.00 12.59 ? 153 TRP D CZ3 1 ATOM 5568 C CH2 . TRP D 2 183 ? 25.984 -3.160 -89.756 1.00 12.67 ? 153 TRP D CH2 1 ATOM 5569 N N . THR D 2 184 ? 25.016 -0.802 -81.755 1.00 16.25 ? 154 THR D N 1 ATOM 5570 C CA . THR D 2 184 ? 25.205 -1.242 -80.372 1.00 16.91 ? 154 THR D CA 1 ATOM 5571 C C . THR D 2 184 ? 23.874 -1.731 -79.833 1.00 20.63 ? 154 THR D C 1 ATOM 5572 O O . THR D 2 184 ? 22.809 -1.328 -80.311 1.00 19.96 ? 154 THR D O 1 ATOM 5573 C CB . THR D 2 184 ? 25.835 -0.181 -79.433 1.00 26.12 ? 154 THR D CB 1 ATOM 5574 O OG1 . THR D 2 184 ? 24.966 0.939 -79.278 1.00 25.82 ? 154 THR D OG1 1 ATOM 5575 C CG2 . THR D 2 184 ? 27.235 0.245 -79.845 1.00 22.86 ? 154 THR D CG2 1 ATOM 5576 N N . PHE D 2 185 ? 23.946 -2.611 -78.847 1.00 18.01 ? 155 PHE D N 1 ATOM 5577 C CA . PHE D 2 185 ? 22.793 -3.156 -78.148 1.00 18.95 ? 155 PHE D CA 1 ATOM 5578 C C . PHE D 2 185 ? 22.912 -2.873 -76.658 1.00 25.54 ? 155 PHE D C 1 ATOM 5579 O O . PHE D 2 185 ? 24.006 -2.594 -76.158 1.00 24.81 ? 155 PHE D O 1 ATOM 5580 C CB . PHE D 2 185 ? 22.673 -4.680 -78.383 1.00 20.11 ? 155 PHE D CB 1 ATOM 5581 C CG . PHE D 2 185 ? 22.399 -5.096 -79.806 1.00 19.97 ? 155 PHE D CG 1 ATOM 5582 C CD1 . PHE D 2 185 ? 21.111 -5.047 -80.326 1.00 22.38 ? 155 PHE D CD1 1 ATOM 5583 C CD2 . PHE D 2 185 ? 23.426 -5.550 -80.625 1.00 20.99 ? 155 PHE D CD2 1 ATOM 5584 C CE1 . PHE D 2 185 ? 20.855 -5.434 -81.642 1.00 21.99 ? 155 PHE D CE1 1 ATOM 5585 C CE2 . PHE D 2 185 ? 23.167 -5.928 -81.947 1.00 22.30 ? 155 PHE D CE2 1 ATOM 5586 C CZ . PHE D 2 185 ? 21.880 -5.870 -82.441 1.00 19.83 ? 155 PHE D CZ 1 ATOM 5587 N N . GLN D 2 186 ? 21.788 -2.963 -75.951 1.00 24.47 ? 156 GLN D N 1 ATOM 5588 C CA . GLN D 2 186 ? 21.732 -2.836 -74.500 1.00 26.34 ? 156 GLN D CA 1 ATOM 5589 C C . GLN D 2 186 ? 20.646 -3.772 -73.981 1.00 31.96 ? 156 GLN D C 1 ATOM 5590 O O . GLN D 2 186 ? 19.747 -4.161 -74.731 1.00 31.08 ? 156 GLN D O 1 ATOM 5591 C CB . GLN D 2 186 ? 21.539 -1.372 -74.027 1.00 28.71 ? 156 GLN D CB 1 ATOM 5592 C CG . GLN D 2 186 ? 20.133 -0.796 -74.224 1.00 35.31 ? 156 GLN D CG 1 ATOM 5593 C CD . GLN D 2 186 ? 19.989 0.628 -73.753 1.00 51.34 ? 156 GLN D CD 1 ATOM 5594 O OE1 . GLN D 2 186 ? 19.765 1.547 -74.547 1.00 45.15 ? 156 GLN D OE1 1 ATOM 5595 N NE2 . GLN D 2 186 ? 20.068 0.843 -72.447 1.00 46.21 ? 156 GLN D NE2 1 ATOM 5596 N N . ILE D 2 187 ? 20.764 -4.181 -72.725 1.00 30.83 ? 157 ILE D N 1 ATOM 5597 C CA . ILE D 2 187 ? 19.777 -5.036 -72.069 1.00 32.18 ? 157 ILE D CA 1 ATOM 5598 C C . ILE D 2 187 ? 19.698 -4.585 -70.606 1.00 39.36 ? 157 ILE D C 1 ATOM 5599 O O . ILE D 2 187 ? 20.718 -4.196 -70.036 1.00 39.84 ? 157 ILE D O 1 ATOM 5600 C CB . ILE D 2 187 ? 20.069 -6.565 -72.270 1.00 34.38 ? 157 ILE D CB 1 ATOM 5601 C CG1 . ILE D 2 187 ? 18.806 -7.418 -72.046 1.00 35.53 ? 157 ILE D CG1 1 ATOM 5602 C CG2 . ILE D 2 187 ? 21.265 -7.087 -71.453 1.00 35.72 ? 157 ILE D CG2 1 ATOM 5603 C CD1 . ILE D 2 187 ? 18.676 -8.603 -72.984 1.00 40.52 ? 157 ILE D CD1 1 ATOM 5604 N N . LEU D 2 188 ? 18.482 -4.536 -70.039 1.00 38.19 ? 158 LEU D N 1 ATOM 5605 C CA . LEU D 2 188 ? 18.289 -4.143 -68.638 1.00 40.85 ? 158 LEU D CA 1 ATOM 5606 C C . LEU D 2 188 ? 17.698 -5.315 -67.898 1.00 47.02 ? 158 LEU D C 1 ATOM 5607 O O . LEU D 2 188 ? 16.570 -5.720 -68.175 1.00 46.02 ? 158 LEU D O 1 ATOM 5608 C CB . LEU D 2 188 ? 17.418 -2.880 -68.468 1.00 42.04 ? 158 LEU D CB 1 ATOM 5609 C CG . LEU D 2 188 ? 17.762 -1.621 -69.283 1.00 45.83 ? 158 LEU D CG 1 ATOM 5610 C CD1 . LEU D 2 188 ? 16.746 -0.527 -69.014 1.00 48.10 ? 158 LEU D CD1 1 ATOM 5611 C CD2 . LEU D 2 188 ? 19.158 -1.097 -68.973 1.00 47.20 ? 158 LEU D CD2 1 ATOM 5612 N N . VAL D 2 189 ? 18.486 -5.899 -66.995 1.00 46.70 ? 159 VAL D N 1 ATOM 5613 C CA . VAL D 2 189 ? 18.086 -7.069 -66.216 1.00 48.84 ? 159 VAL D CA 1 ATOM 5614 C C . VAL D 2 189 ? 17.815 -6.624 -64.752 1.00 57.54 ? 159 VAL D C 1 ATOM 5615 O O . VAL D 2 189 ? 18.750 -6.378 -63.986 1.00 57.65 ? 159 VAL D O 1 ATOM 5616 C CB . VAL D 2 189 ? 19.147 -8.198 -66.349 1.00 51.56 ? 159 VAL D CB 1 ATOM 5617 C CG1 . VAL D 2 189 ? 18.758 -9.429 -65.543 1.00 52.96 ? 159 VAL D CG1 1 ATOM 5618 C CG2 . VAL D 2 189 ? 19.358 -8.574 -67.816 1.00 48.64 ? 159 VAL D CG2 1 ATOM 5619 N N . MET D 2 190 ? 16.516 -6.486 -64.408 1.00 57.79 ? 160 MET D N 1 ATOM 5620 C CA . MET D 2 190 ? 16.002 -6.048 -63.098 1.00 61.68 ? 160 MET D CA 1 ATOM 5621 C C . MET D 2 190 ? 15.938 -7.198 -62.085 1.00 68.12 ? 160 MET D C 1 ATOM 5622 O O . MET D 2 190 ? 15.549 -8.311 -62.441 1.00 67.47 ? 160 MET D O 1 ATOM 5623 C CB . MET D 2 190 ? 14.587 -5.440 -63.245 1.00 65.36 ? 160 MET D CB 1 ATOM 5624 C CG . MET D 2 190 ? 14.546 -4.072 -63.913 1.00 68.64 ? 160 MET D CG 1 ATOM 5625 S SD . MET D 2 190 ? 14.504 -4.138 -65.727 1.00 69.93 ? 160 MET D SD 1 ATOM 5626 C CE . MET D 2 190 ? 13.799 -2.523 -66.090 1.00 67.02 ? 160 MET D CE 1 ATOM 5627 N N . LEU D 2 191 ? 16.281 -6.908 -60.816 1.00 67.36 ? 161 LEU D N 1 ATOM 5628 C CA . LEU D 2 191 ? 16.235 -7.849 -59.688 1.00 69.54 ? 161 LEU D CA 1 ATOM 5629 C C . LEU D 2 191 ? 15.571 -7.179 -58.464 1.00 76.78 ? 161 LEU D C 1 ATOM 5630 O O . LEU D 2 191 ? 15.984 -6.090 -58.057 1.00 76.78 ? 161 LEU D O 1 ATOM 5631 C CB . LEU D 2 191 ? 17.646 -8.379 -59.334 1.00 69.02 ? 161 LEU D CB 1 ATOM 5632 C CG . LEU D 2 191 ? 17.755 -9.345 -58.133 1.00 75.69 ? 161 LEU D CG 1 ATOM 5633 C CD1 . LEU D 2 191 ? 17.537 -10.792 -58.553 1.00 75.13 ? 161 LEU D CD1 1 ATOM 5634 C CD2 . LEU D 2 191 ? 19.098 -9.212 -57.452 1.00 77.74 ? 161 LEU D CD2 1 ATOM 5635 N N . GLU D 2 192 ? 14.546 -7.836 -57.890 1.00 75.91 ? 162 GLU D N 1 ATOM 5636 C CA . GLU D 2 192 ? 13.819 -7.348 -56.713 1.00 79.32 ? 162 GLU D CA 1 ATOM 5637 C C . GLU D 2 192 ? 14.421 -7.922 -55.429 1.00 85.76 ? 162 GLU D C 1 ATOM 5638 O O . GLU D 2 192 ? 14.887 -9.065 -55.427 1.00 84.72 ? 162 GLU D O 1 ATOM 5639 C CB . GLU D 2 192 ? 12.328 -7.704 -56.811 1.00 81.94 ? 162 GLU D CB 1 ATOM 5640 N N . MET D 2 193 ? 14.413 -7.130 -54.341 1.00 85.47 ? 163 MET D N 1 ATOM 5641 C CA . MET D 2 193 ? 14.959 -7.541 -53.037 1.00 124.36 ? 163 MET D CA 1 ATOM 5642 C C . MET D 2 193 ? 14.039 -8.551 -52.341 1.00 166.27 ? 163 MET D C 1 ATOM 5643 O O . MET D 2 193 ? 12.857 -8.282 -52.130 1.00 131.55 ? 163 MET D O 1 ATOM 5644 C CB . MET D 2 193 ? 15.210 -6.332 -52.109 1.00 128.91 ? 163 MET D CB 1 ATOM 5645 C CG . MET D 2 193 ? 16.077 -5.230 -52.710 1.00 130.33 ? 163 MET D CG 1 ATOM 5646 S SD . MET D 2 193 ? 17.643 -5.764 -53.450 1.00 130.87 ? 163 MET D SD 1 ATOM 5647 C CE . MET D 2 193 ? 18.644 -4.344 -53.102 1.00 127.96 ? 163 MET D CE 1 ATOM 5648 N N . ASP D 2 199 ? 24.883 -8.502 -47.415 1.00 108.81 ? 169 ASP D N 1 ATOM 5649 C CA . ASP D 2 199 ? 25.201 -9.422 -48.491 1.00 105.60 ? 169 ASP D CA 1 ATOM 5650 C C . ASP D 2 199 ? 25.458 -8.660 -49.764 1.00 105.31 ? 169 ASP D C 1 ATOM 5651 O O . ASP D 2 199 ? 24.941 -7.551 -49.957 1.00 104.61 ? 169 ASP D O 1 ATOM 5652 C CB . ASP D 2 199 ? 24.064 -10.414 -48.698 1.00 107.87 ? 169 ASP D CB 1 ATOM 5653 C CG . ASP D 2 199 ? 22.697 -9.825 -48.377 1.00 120.42 ? 169 ASP D CG 1 ATOM 5654 O OD1 . ASP D 2 199 ? 22.620 -8.638 -47.998 1.00 122.00 ? 169 ASP D OD1 1 ATOM 5655 O OD2 . ASP D 2 199 ? 21.701 -10.557 -48.530 1.00 126.86 -1 169 ASP D OD2 1 ATOM 5656 N N . VAL D 2 200 ? 26.271 -9.232 -50.638 1.00 98.85 ? 170 VAL D N 1 ATOM 5657 C CA . VAL D 2 200 ? 26.477 -8.583 -51.925 1.00 95.27 ? 170 VAL D CA 1 ATOM 5658 C C . VAL D 2 200 ? 25.673 -9.145 -53.050 1.00 95.68 ? 170 VAL D C 1 ATOM 5659 O O . VAL D 2 200 ? 25.317 -10.322 -53.110 1.00 95.10 ? 170 VAL D O 1 ATOM 5660 C CB . VAL D 2 200 ? 27.941 -8.411 -52.396 1.00 97.47 ? 170 VAL D CB 1 ATOM 5661 C CG1 . VAL D 2 200 ? 28.527 -7.117 -51.861 1.00 98.49 ? 170 VAL D CG1 1 ATOM 5662 C CG2 . VAL D 2 200 ? 28.790 -9.632 -52.133 1.00 97.48 ? 170 VAL D CG2 1 ATOM 5663 N N . TYR D 2 201 ? 25.417 -8.217 -53.943 1.00 89.74 ? 171 TYR D N 1 ATOM 5664 C CA . TYR D 2 201 ? 24.628 -8.408 -55.107 1.00 86.89 ? 171 TYR D CA 1 ATOM 5665 C C . TYR D 2 201 ? 25.582 -8.244 -56.266 1.00 85.26 ? 171 TYR D C 1 ATOM 5666 O O . TYR D 2 201 ? 26.140 -7.176 -56.491 1.00 84.14 ? 171 TYR D O 1 ATOM 5667 C CB . TYR D 2 201 ? 23.553 -7.334 -55.119 1.00 89.28 ? 171 TYR D CB 1 ATOM 5668 C CG . TYR D 2 201 ? 22.591 -7.411 -53.942 1.00 94.94 ? 171 TYR D CG 1 ATOM 5669 C CD1 . TYR D 2 201 ? 22.360 -8.615 -53.308 1.00 98.59 ? 171 TYR D CD1 1 ATOM 5670 C CD2 . TYR D 2 201 ? 21.913 -6.289 -53.480 1.00 97.56 ? 171 TYR D CD2 1 ATOM 5671 C CE1 . TYR D 2 201 ? 21.485 -8.714 -52.250 1.00 102.68 ? 171 TYR D CE1 1 ATOM 5672 C CE2 . TYR D 2 201 ? 21.034 -6.379 -52.415 1.00 101.69 ? 171 TYR D CE2 1 ATOM 5673 C CZ . TYR D 2 201 ? 20.829 -7.600 -51.804 1.00 110.83 ? 171 TYR D CZ 1 ATOM 5674 O OH . TYR D 2 201 ? 19.966 -7.757 -50.745 1.00 115.48 ? 171 TYR D OH 1 ATOM 5675 N N . THR D 2 202 ? 25.793 -9.341 -56.970 1.00 78.36 ? 172 THR D N 1 ATOM 5676 C CA . THR D 2 202 ? 26.679 -9.372 -58.133 1.00 74.35 ? 172 THR D CA 1 ATOM 5677 C C . THR D 2 202 ? 25.926 -9.637 -59.439 1.00 73.31 ? 172 THR D C 1 ATOM 5678 O O . THR D 2 202 ? 24.958 -10.396 -59.451 1.00 73.21 ? 172 THR D O 1 ATOM 5679 C CB . THR D 2 202 ? 27.773 -10.425 -57.931 1.00 81.15 ? 172 THR D CB 1 ATOM 5680 N N . CYS D 2 203 ? 26.399 -9.010 -60.538 1.00 65.65 ? 173 CYS D N 1 ATOM 5681 C CA . CYS D 2 203 ? 25.880 -9.156 -61.902 1.00 62.28 ? 173 CYS D CA 1 ATOM 5682 C C . CYS D 2 203 ? 26.972 -9.786 -62.786 1.00 63.39 ? 173 CYS D C 1 ATOM 5683 O O . CYS D 2 203 ? 28.026 -9.181 -62.997 1.00 62.30 ? 173 CYS D O 1 ATOM 5684 C CB . CYS D 2 203 ? 25.393 -7.821 -62.466 1.00 61.53 ? 173 CYS D CB 1 ATOM 5685 S SG . CYS D 2 203 ? 24.443 -7.973 -64.003 1.00 62.71 ? 173 CYS D SG 1 ATOM 5686 N N . HIS D 2 204 ? 26.717 -11.018 -63.267 1.00 58.53 ? 174 HIS D N 1 ATOM 5687 C CA . HIS D 2 204 ? 27.617 -11.843 -64.079 1.00 56.37 ? 174 HIS D CA 1 ATOM 5688 C C . HIS D 2 204 ? 27.256 -11.739 -65.575 1.00 54.78 ? 174 HIS D C 1 ATOM 5689 O O . HIS D 2 204 ? 26.235 -12.290 -66.000 1.00 54.43 ? 174 HIS D O 1 ATOM 5690 C CB . HIS D 2 204 ? 27.518 -13.293 -63.583 1.00 59.01 ? 174 HIS D CB 1 ATOM 5691 C CG . HIS D 2 204 ? 28.591 -14.191 -64.094 1.00 62.14 ? 174 HIS D CG 1 ATOM 5692 N ND1 . HIS D 2 204 ? 29.726 -14.452 -63.345 1.00 65.31 ? 174 HIS D ND1 1 ATOM 5693 C CD2 . HIS D 2 204 ? 28.658 -14.885 -65.254 1.00 62.42 ? 174 HIS D CD2 1 ATOM 5694 C CE1 . HIS D 2 204 ? 30.449 -15.284 -64.074 1.00 63.74 ? 174 HIS D CE1 1 ATOM 5695 N NE2 . HIS D 2 204 ? 29.846 -15.575 -65.232 1.00 62.32 ? 174 HIS D NE2 1 ATOM 5696 N N . VAL D 2 205 ? 28.096 -11.026 -66.367 1.00 46.46 ? 175 VAL D N 1 ATOM 5697 C CA . VAL D 2 205 ? 27.852 -10.753 -67.793 1.00 42.21 ? 175 VAL D CA 1 ATOM 5698 C C . VAL D 2 205 ? 28.911 -11.403 -68.702 1.00 41.51 ? 175 VAL D C 1 ATOM 5699 O O . VAL D 2 205 ? 30.106 -11.200 -68.507 1.00 40.55 ? 175 VAL D O 1 ATOM 5700 C CB . VAL D 2 205 ? 27.749 -9.218 -68.057 1.00 45.37 ? 175 VAL D CB 1 ATOM 5701 C CG1 . VAL D 2 205 ? 27.579 -8.901 -69.546 1.00 42.70 ? 175 VAL D CG1 1 ATOM 5702 C CG2 . VAL D 2 205 ? 26.609 -8.597 -67.252 1.00 46.65 ? 175 VAL D CG2 1 ATOM 5703 N N . GLU D 2 206 ? 28.441 -12.146 -69.724 1.00 35.32 ? 176 GLU D N 1 ATOM 5704 C CA . GLU D 2 206 ? 29.264 -12.803 -70.745 1.00 32.88 ? 176 GLU D CA 1 ATOM 5705 C C . GLU D 2 206 ? 28.894 -12.294 -72.138 1.00 33.12 ? 176 GLU D C 1 ATOM 5706 O O . GLU D 2 206 ? 27.717 -12.051 -72.424 1.00 32.26 ? 176 GLU D O 1 ATOM 5707 C CB . GLU D 2 206 ? 29.118 -14.320 -70.679 1.00 34.80 ? 176 GLU D CB 1 ATOM 5708 C CG . GLU D 2 206 ? 30.310 -14.998 -70.033 1.00 47.25 ? 176 GLU D CG 1 ATOM 5709 C CD . GLU D 2 206 ? 30.062 -16.416 -69.560 1.00 72.87 ? 176 GLU D CD 1 ATOM 5710 O OE1 . GLU D 2 206 ? 29.504 -17.220 -70.342 1.00 69.24 ? 176 GLU D OE1 1 ATOM 5711 O OE2 . GLU D 2 206 ? 30.446 -16.730 -68.410 1.00 69.89 -1 176 GLU D OE2 1 ATOM 5712 N N . HIS D 2 207 ? 29.910 -12.130 -73.002 1.00 27.11 ? 177 HIS D N 1 ATOM 5713 C CA . HIS D 2 207 ? 29.765 -11.596 -74.355 1.00 24.29 ? 177 HIS D CA 1 ATOM 5714 C C . HIS D 2 207 ? 30.914 -12.097 -75.251 1.00 28.00 ? 177 HIS D C 1 ATOM 5715 O O . HIS D 2 207 ? 32.024 -12.269 -74.743 1.00 28.61 ? 177 HIS D O 1 ATOM 5716 C CB . HIS D 2 207 ? 29.736 -10.045 -74.288 1.00 24.20 ? 177 HIS D CB 1 ATOM 5717 C CG . HIS D 2 207 ? 29.533 -9.368 -75.608 1.00 25.50 ? 177 HIS D CG 1 ATOM 5718 N ND1 . HIS D 2 207 ? 30.598 -8.861 -76.320 1.00 26.27 ? 177 HIS D ND1 1 ATOM 5719 C CD2 . HIS D 2 207 ? 28.399 -9.171 -76.319 1.00 25.82 ? 177 HIS D CD2 1 ATOM 5720 C CE1 . HIS D 2 207 ? 30.086 -8.374 -77.437 1.00 24.14 ? 177 HIS D CE1 1 ATOM 5721 N NE2 . HIS D 2 207 ? 28.768 -8.548 -77.484 1.00 24.18 ? 177 HIS D NE2 1 ATOM 5722 N N . PRO D 2 208 ? 30.700 -12.295 -76.585 1.00 23.19 ? 178 PRO D N 1 ATOM 5723 C CA . PRO D 2 208 ? 31.796 -12.758 -77.454 1.00 22.38 ? 178 PRO D CA 1 ATOM 5724 C C . PRO D 2 208 ? 33.080 -11.918 -77.442 1.00 26.47 ? 178 PRO D C 1 ATOM 5725 O O . PRO D 2 208 ? 34.133 -12.454 -77.778 1.00 25.33 ? 178 PRO D O 1 ATOM 5726 C CB . PRO D 2 208 ? 31.170 -12.690 -78.848 1.00 22.75 ? 178 PRO D CB 1 ATOM 5727 C CG . PRO D 2 208 ? 29.752 -12.897 -78.626 1.00 27.02 ? 178 PRO D CG 1 ATOM 5728 C CD . PRO D 2 208 ? 29.448 -12.177 -77.362 1.00 23.64 ? 178 PRO D CD 1 ATOM 5729 N N . SER D 2 209 ? 33.002 -10.620 -77.090 1.00 24.10 ? 179 SER D N 1 ATOM 5730 C CA . SER D 2 209 ? 34.166 -9.727 -77.079 1.00 24.13 ? 179 SER D CA 1 ATOM 5731 C C . SER D 2 209 ? 35.053 -9.897 -75.842 1.00 29.77 ? 179 SER D C 1 ATOM 5732 O O . SER D 2 209 ? 36.140 -9.323 -75.798 1.00 30.39 ? 179 SER D O 1 ATOM 5733 C CB . SER D 2 209 ? 33.714 -8.276 -77.168 1.00 27.05 ? 179 SER D CB 1 ATOM 5734 O OG . SER D 2 209 ? 33.113 -7.880 -75.949 1.00 33.85 ? 179 SER D OG 1 ATOM 5735 N N . LEU D 2 210 ? 34.590 -10.649 -74.837 1.00 27.05 ? 180 LEU D N 1 ATOM 5736 C CA . LEU D 2 210 ? 35.314 -10.820 -73.579 1.00 28.64 ? 180 LEU D CA 1 ATOM 5737 C C . LEU D 2 210 ? 35.940 -12.204 -73.435 1.00 33.92 ? 180 LEU D C 1 ATOM 5738 O O . LEU D 2 210 ? 35.352 -13.201 -73.863 1.00 32.98 ? 180 LEU D O 1 ATOM 5739 C CB . LEU D 2 210 ? 34.363 -10.579 -72.397 1.00 29.77 ? 180 LEU D CB 1 ATOM 5740 C CG . LEU D 2 210 ? 33.503 -9.313 -72.414 1.00 33.63 ? 180 LEU D CG 1 ATOM 5741 C CD1 . LEU D 2 210 ? 32.325 -9.463 -71.471 1.00 34.75 ? 180 LEU D CD1 1 ATOM 5742 C CD2 . LEU D 2 210 ? 34.329 -8.079 -72.061 1.00 35.66 ? 180 LEU D CD2 1 ATOM 5743 N N . GLN D 2 211 ? 37.126 -12.262 -72.807 1.00 32.43 ? 181 GLN D N 1 ATOM 5744 C CA . GLN D 2 211 ? 37.834 -13.518 -72.517 1.00 33.27 ? 181 GLN D CA 1 ATOM 5745 C C . GLN D 2 211 ? 37.311 -14.109 -71.221 1.00 40.30 ? 181 GLN D C 1 ATOM 5746 O O . GLN D 2 211 ? 37.304 -15.327 -71.045 1.00 41.10 ? 181 GLN D O 1 ATOM 5747 C CB . GLN D 2 211 ? 39.353 -13.294 -72.416 1.00 34.75 ? 181 GLN D CB 1 ATOM 5748 C CG . GLN D 2 211 ? 40.051 -13.077 -73.749 1.00 35.67 ? 181 GLN D CG 1 ATOM 5749 C CD . GLN D 2 211 ? 39.744 -14.149 -74.764 1.00 47.44 ? 181 GLN D CD 1 ATOM 5750 O OE1 . GLN D 2 211 ? 40.013 -15.337 -74.560 1.00 43.12 ? 181 GLN D OE1 1 ATOM 5751 N NE2 . GLN D 2 211 ? 39.150 -13.750 -75.875 1.00 35.27 ? 181 GLN D NE2 1 ATOM 5752 N N . ASN D 2 212 ? 36.900 -13.227 -70.301 1.00 38.14 ? 182 ASN D N 1 ATOM 5753 C CA . ASN D 2 212 ? 36.372 -13.576 -68.987 1.00 40.15 ? 182 ASN D CA 1 ATOM 5754 C C . ASN D 2 212 ? 35.098 -12.774 -68.714 1.00 44.41 ? 182 ASN D C 1 ATOM 5755 O O . ASN D 2 212 ? 34.973 -11.643 -69.201 1.00 43.06 ? 182 ASN D O 1 ATOM 5756 C CB . ASN D 2 212 ? 37.427 -13.331 -67.891 1.00 42.47 ? 182 ASN D CB 1 ATOM 5757 C CG . ASN D 2 212 ? 38.776 -13.882 -68.254 1.00 66.81 ? 182 ASN D CG 1 ATOM 5758 O OD1 . ASN D 2 212 ? 38.983 -15.098 -68.285 1.00 63.01 ? 182 ASN D OD1 1 ATOM 5759 N ND2 . ASN D 2 212 ? 39.672 -13.002 -68.681 1.00 58.12 ? 182 ASN D ND2 1 ATOM 5760 N N . PRO D 2 213 ? 34.143 -13.331 -67.939 1.00 42.20 ? 183 PRO D N 1 ATOM 5761 C CA . PRO D 2 213 ? 32.899 -12.591 -67.675 1.00 42.33 ? 183 PRO D CA 1 ATOM 5762 C C . PRO D 2 213 ? 33.097 -11.363 -66.780 1.00 47.59 ? 183 PRO D C 1 ATOM 5763 O O . PRO D 2 213 ? 33.972 -11.367 -65.911 1.00 48.85 ? 183 PRO D O 1 ATOM 5764 C CB . PRO D 2 213 ? 32.011 -13.628 -66.989 1.00 45.34 ? 183 PRO D CB 1 ATOM 5765 C CG . PRO D 2 213 ? 32.952 -14.610 -66.409 1.00 50.82 ? 183 PRO D CG 1 ATOM 5766 C CD . PRO D 2 213 ? 34.120 -14.670 -67.315 1.00 45.05 ? 183 PRO D CD 1 ATOM 5767 N N . ILE D 2 214 ? 32.292 -10.309 -67.014 1.00 43.14 ? 184 ILE D N 1 ATOM 5768 C CA . ILE D 2 214 ? 32.333 -9.080 -66.222 1.00 44.33 ? 184 ILE D CA 1 ATOM 5769 C C . ILE D 2 214 ? 31.462 -9.289 -64.982 1.00 51.53 ? 184 ILE D C 1 ATOM 5770 O O . ILE D 2 214 ? 30.259 -9.532 -65.109 1.00 50.64 ? 184 ILE D O 1 ATOM 5771 C CB . ILE D 2 214 ? 31.913 -7.815 -67.029 1.00 46.19 ? 184 ILE D CB 1 ATOM 5772 C CG1 . ILE D 2 214 ? 32.919 -7.504 -68.157 1.00 45.34 ? 184 ILE D CG1 1 ATOM 5773 C CG2 . ILE D 2 214 ? 31.751 -6.599 -66.096 1.00 48.25 ? 184 ILE D CG2 1 ATOM 5774 C CD1 . ILE D 2 214 ? 32.469 -6.407 -69.183 1.00 52.11 ? 184 ILE D CD1 1 ATOM 5775 N N . ILE D 2 215 ? 32.075 -9.198 -63.791 1.00 51.51 ? 185 ILE D N 1 ATOM 5776 C CA . ILE D 2 215 ? 31.366 -9.337 -62.521 1.00 54.25 ? 185 ILE D CA 1 ATOM 5777 C C . ILE D 2 215 ? 31.401 -7.974 -61.822 1.00 61.25 ? 185 ILE D C 1 ATOM 5778 O O . ILE D 2 215 ? 32.481 -7.476 -61.496 1.00 61.37 ? 185 ILE D O 1 ATOM 5779 C CB . ILE D 2 215 ? 31.928 -10.497 -61.645 1.00 58.78 ? 185 ILE D CB 1 ATOM 5780 C CG1 . ILE D 2 215 ? 31.823 -11.849 -62.378 1.00 58.27 ? 185 ILE D CG1 1 ATOM 5781 C CG2 . ILE D 2 215 ? 31.215 -10.575 -60.295 1.00 61.67 ? 185 ILE D CG2 1 ATOM 5782 C CD1 . ILE D 2 215 ? 33.145 -12.492 -62.686 1.00 66.77 ? 185 ILE D CD1 1 ATOM 5783 N N . VAL D 2 216 ? 30.214 -7.354 -61.658 1.00 59.81 ? 186 VAL D N 1 ATOM 5784 C CA . VAL D 2 216 ? 30.018 -6.053 -61.000 1.00 61.88 ? 186 VAL D CA 1 ATOM 5785 C C . VAL D 2 216 ? 29.157 -6.307 -59.753 1.00 70.10 ? 186 VAL D C 1 ATOM 5786 O O . VAL D 2 216 ? 28.107 -6.935 -59.868 1.00 69.73 ? 186 VAL D O 1 ATOM 5787 C CB . VAL D 2 216 ? 29.404 -4.985 -61.965 1.00 64.13 ? 186 VAL D CB 1 ATOM 5788 C CG1 . VAL D 2 216 ? 29.052 -3.688 -61.233 1.00 65.67 ? 186 VAL D CG1 1 ATOM 5789 C CG2 . VAL D 2 216 ? 30.338 -4.692 -63.137 1.00 61.74 ? 186 VAL D CG2 1 ATOM 5790 N N . GLU D 2 217 ? 29.613 -5.858 -58.569 1.00 70.37 ? 187 GLU D N 1 ATOM 5791 C CA . GLU D 2 217 ? 28.881 -6.083 -57.319 1.00 73.79 ? 187 GLU D CA 1 ATOM 5792 C C . GLU D 2 217 ? 28.345 -4.774 -56.696 1.00 81.16 ? 187 GLU D C 1 ATOM 5793 O O . GLU D 2 217 ? 28.868 -3.689 -56.971 1.00 80.61 ? 187 GLU D O 1 ATOM 5794 C CB . GLU D 2 217 ? 29.732 -6.870 -56.296 1.00 77.01 ? 187 GLU D CB 1 ATOM 5795 C CG . GLU D 2 217 ? 31.105 -6.291 -55.982 1.00 89.04 ? 187 GLU D CG 1 ATOM 5796 C CD . GLU D 2 217 ? 31.823 -7.004 -54.852 1.00 113.76 ? 187 GLU D CD 1 ATOM 5797 O OE1 . GLU D 2 217 ? 31.729 -6.532 -53.696 1.00 110.78 ? 187 GLU D OE1 1 ATOM 5798 O OE2 . GLU D 2 217 ? 32.459 -8.050 -55.118 1.00 107.07 -1 187 GLU D OE2 1 ATOM 5799 N N . TRP D 2 218 ? 27.284 -4.903 -55.864 1.00 80.79 ? 188 TRP D N 1 ATOM 5800 C CA . TRP D 2 218 ? 26.599 -3.820 -55.146 1.00 83.19 ? 188 TRP D CA 1 ATOM 5801 C C . TRP D 2 218 ? 26.433 -4.220 -53.669 1.00 89.53 ? 188 TRP D C 1 ATOM 5802 O O . TRP D 2 218 ? 25.787 -5.230 -53.381 1.00 89.26 ? 188 TRP D O 1 ATOM 5803 C CB . TRP D 2 218 ? 25.234 -3.520 -55.810 1.00 81.51 ? 188 TRP D CB 1 ATOM 5804 C CG . TRP D 2 218 ? 24.489 -2.339 -55.244 1.00 84.90 ? 188 TRP D CG 1 ATOM 5805 C CD1 . TRP D 2 218 ? 24.518 -1.056 -55.705 1.00 87.49 ? 188 TRP D CD1 1 ATOM 5806 C CD2 . TRP D 2 218 ? 23.559 -2.352 -54.149 1.00 87.80 ? 188 TRP D CD2 1 ATOM 5807 N NE1 . TRP D 2 218 ? 23.686 -0.261 -54.948 1.00 89.61 ? 188 TRP D NE1 1 ATOM 5808 C CE2 . TRP D 2 218 ? 23.085 -1.032 -53.986 1.00 93.11 ? 188 TRP D CE2 1 ATOM 5809 C CE3 . TRP D 2 218 ? 23.086 -3.351 -53.281 1.00 90.94 ? 188 TRP D CE3 1 ATOM 5810 C CZ2 . TRP D 2 218 ? 22.162 -0.685 -52.993 1.00 95.60 ? 188 TRP D CZ2 1 ATOM 5811 C CZ3 . TRP D 2 218 ? 22.169 -3.008 -52.302 1.00 95.54 ? 188 TRP D CZ3 1 ATOM 5812 C CH2 . TRP D 2 218 ? 21.720 -1.689 -52.160 1.00 97.50 ? 188 TRP D CH2 1 ATOM 5813 N N . ARG D 2 219 ? 27.032 -3.438 -52.744 1.00 88.17 ? 189 ARG D N 1 ATOM 5814 C CA . ARG D 2 219 ? 26.998 -3.680 -51.296 1.00 113.43 ? 189 ARG D CA 1 ATOM 5815 C C . ARG D 2 219 ? 25.594 -3.547 -50.709 1.00 128.97 ? 189 ARG D C 1 ATOM 5816 O O . ARG D 2 219 ? 25.095 -2.437 -50.549 1.00 87.60 ? 189 ARG D O 1 ATOM 5817 N N . GLN E 3 4 ? 40.644 -1.793 -114.344 1.00 35.81 ? 9 GLN E N 1 ATOM 5818 C CA . GLN E 3 4 ? 41.681 -2.261 -115.275 1.00 35.26 ? 9 GLN E CA 1 ATOM 5819 C C . GLN E 3 4 ? 41.347 -3.650 -115.850 1.00 35.54 ? 9 GLN E C 1 ATOM 5820 O O . GLN E 3 4 ? 40.985 -4.574 -115.121 1.00 34.49 ? 9 GLN E O 1 ATOM 5821 C CB . GLN E 3 4 ? 43.062 -2.277 -114.602 1.00 38.77 ? 9 GLN E CB 1 ATOM 5822 C CG . GLN E 3 4 ? 43.883 -1.020 -114.868 1.00 59.78 ? 9 GLN E CG 1 ATOM 5823 C CD . GLN E 3 4 ? 44.773 -1.183 -116.075 1.00 83.95 ? 9 GLN E CD 1 ATOM 5824 O OE1 . GLN E 3 4 ? 44.362 -0.967 -117.220 1.00 78.89 ? 9 GLN E OE1 1 ATOM 5825 N NE2 . GLN E 3 4 ? 46.016 -1.576 -115.842 1.00 79.93 ? 9 GLN E NE2 1 ATOM 5826 N N . VAL E 3 5 ? 41.447 -3.763 -117.172 1.00 30.46 ? 10 VAL E N 1 ATOM 5827 C CA . VAL E 3 5 ? 41.169 -4.970 -117.949 1.00 28.70 ? 10 VAL E CA 1 ATOM 5828 C C . VAL E 3 5 ? 42.210 -5.015 -119.083 1.00 31.41 ? 10 VAL E C 1 ATOM 5829 O O . VAL E 3 5 ? 42.362 -4.041 -119.826 1.00 31.46 ? 10 VAL E O 1 ATOM 5830 C CB . VAL E 3 5 ? 39.676 -5.072 -118.433 1.00 31.02 ? 10 VAL E CB 1 ATOM 5831 C CG1 . VAL E 3 5 ? 39.113 -3.725 -118.880 1.00 30.68 ? 10 VAL E CG1 1 ATOM 5832 C CG2 . VAL E 3 5 ? 39.489 -6.128 -119.521 1.00 29.76 ? 10 VAL E CG2 1 ATOM 5833 N N . THR E 3 6 ? 42.950 -6.134 -119.167 1.00 27.16 ? 11 THR E N 1 ATOM 5834 C CA . THR E 3 6 ? 44.038 -6.371 -120.121 1.00 27.03 ? 11 THR E CA 1 ATOM 5835 C C . THR E 3 6 ? 43.728 -7.549 -121.045 1.00 29.08 ? 11 THR E C 1 ATOM 5836 O O . THR E 3 6 ? 43.275 -8.585 -120.566 1.00 29.13 ? 11 THR E O 1 ATOM 5837 C CB . THR E 3 6 ? 45.332 -6.643 -119.323 1.00 35.80 ? 11 THR E CB 1 ATOM 5838 O OG1 . THR E 3 6 ? 45.515 -5.582 -118.391 1.00 36.32 ? 11 THR E OG1 1 ATOM 5839 C CG2 . THR E 3 6 ? 46.574 -6.775 -120.203 1.00 36.28 ? 11 THR E CG2 1 ATOM 5840 N N . GLN E 3 7 ? 43.984 -7.393 -122.323 1.00 23.87 ? 12 GLN E N 1 ATOM 5841 C CA . GLN E 3 7 ? 43.859 -8.458 -123.284 1.00 22.67 ? 12 GLN E CA 1 ATOM 5842 C C . GLN E 3 7 ? 45.186 -8.851 -123.923 1.00 27.79 ? 12 GLN E C 1 ATOM 5843 O O . GLN E 3 7 ? 45.967 -8.029 -124.296 1.00 28.68 ? 12 GLN E O 1 ATOM 5844 C CB . GLN E 3 7 ? 42.881 -8.083 -124.383 1.00 22.13 ? 12 GLN E CB 1 ATOM 5845 C CG . GLN E 3 7 ? 41.446 -8.458 -124.103 1.00 19.81 ? 12 GLN E CG 1 ATOM 5846 C CD . GLN E 3 7 ? 40.487 -8.016 -125.167 1.00 29.40 ? 12 GLN E CD 1 ATOM 5847 O OE1 . GLN E 3 7 ? 39.894 -6.992 -125.060 1.00 20.36 ? 12 GLN E OE1 1 ATOM 5848 N NE2 . GLN E 3 7 ? 40.307 -8.806 -126.150 1.00 19.38 ? 12 GLN E NE2 1 ATOM 5849 N N . SER E 3 8 ? 45.415 -10.133 -124.048 1.00 24.28 ? 13 SER E N 1 ATOM 5850 C CA . SER E 3 8 ? 46.547 -10.617 -124.806 1.00 24.94 ? 13 SER E CA 1 ATOM 5851 C C . SER E 3 8 ? 46.215 -11.867 -125.604 1.00 28.40 ? 13 SER E C 1 ATOM 5852 O O . SER E 3 8 ? 45.402 -12.629 -125.190 1.00 27.24 ? 13 SER E O 1 ATOM 5853 C CB . SER E 3 8 ? 47.731 -10.847 -123.903 1.00 29.29 ? 13 SER E CB 1 ATOM 5854 O OG . SER E 3 8 ? 47.348 -11.501 -122.745 1.00 34.97 ? 13 SER E OG 1 ATOM 5855 N N . PRO E 3 9 ? 46.865 -12.136 -126.826 1.00 25.80 ? 14 PRO E N 1 ATOM 5856 C CA . PRO E 3 9 ? 47.812 -11.117 -127.305 1.00 26.02 ? 14 PRO E CA 1 ATOM 5857 C C . PRO E 3 9 ? 47.178 -9.951 -128.038 1.00 28.08 ? 14 PRO E C 1 ATOM 5858 O O . PRO E 3 9 ? 46.062 -10.056 -128.362 1.00 27.09 ? 14 PRO E O 1 ATOM 5859 C CB . PRO E 3 9 ? 48.679 -11.892 -128.247 1.00 28.74 ? 14 PRO E CB 1 ATOM 5860 C CG . PRO E 3 9 ? 47.757 -12.769 -128.939 1.00 32.27 ? 14 PRO E CG 1 ATOM 5861 C CD . PRO E 3 9 ? 46.894 -13.275 -127.878 1.00 27.58 ? 14 PRO E CD 1 ATOM 5862 N N . GLU E 3 10 ? 47.887 -8.866 -128.265 1.00 24.52 ? 15 GLU E N 1 ATOM 5863 C CA . GLU E 3 10 ? 47.321 -7.761 -129.010 1.00 23.62 ? 15 GLU E CA 1 ATOM 5864 C C . GLU E 3 10 ? 46.955 -8.142 -130.442 1.00 26.85 ? 15 GLU E C 1 ATOM 5865 O O . GLU E 3 10 ? 45.913 -7.770 -130.910 1.00 24.93 ? 15 GLU E O 1 ATOM 5866 C CB . GLU E 3 10 ? 48.119 -6.471 -128.848 1.00 26.22 ? 15 GLU E CB 1 ATOM 5867 C CG . GLU E 3 10 ? 48.587 -5.747 -130.088 1.00 39.36 ? 15 GLU E CG 1 ATOM 5868 C CD . GLU E 3 10 ? 47.503 -5.138 -130.944 1.00 65.42 ? 15 GLU E CD 1 ATOM 5869 O OE1 . GLU E 3 10 ? 47.780 -4.981 -132.128 1.00 65.72 ? 15 GLU E OE1 1 ATOM 5870 O OE2 . GLU E 3 10 ? 46.383 -4.837 -130.478 1.00 57.35 -1 15 GLU E OE2 1 ATOM 5871 N N . ALA E 3 11 ? 47.800 -8.933 -131.099 1.00 24.80 ? 16 ALA E N 1 ATOM 5872 C CA . ALA E 3 11 ? 47.498 -9.501 -132.406 1.00 23.66 ? 16 ALA E CA 1 ATOM 5873 C C . ALA E 3 11 ? 47.790 -10.963 -132.459 1.00 28.01 ? 16 ALA E C 1 ATOM 5874 O O . ALA E 3 11 ? 48.600 -11.429 -131.735 1.00 27.66 ? 16 ALA E O 1 ATOM 5875 C CB . ALA E 3 11 ? 48.207 -8.772 -133.520 1.00 24.38 ? 16 ALA E CB 1 ATOM 5876 N N . LEU E 3 12 ? 47.073 -11.684 -133.299 1.00 25.08 ? 17 LEU E N 1 ATOM 5877 C CA . LEU E 3 12 ? 47.239 -13.127 -133.424 1.00 25.71 ? 17 LEU E CA 1 ATOM 5878 C C . LEU E 3 12 ? 47.083 -13.562 -134.860 1.00 30.11 ? 17 LEU E C 1 ATOM 5879 O O . LEU E 3 12 ? 46.082 -13.242 -135.510 1.00 28.57 ? 17 LEU E O 1 ATOM 5880 C CB . LEU E 3 12 ? 46.241 -13.881 -132.532 1.00 25.46 ? 17 LEU E CB 1 ATOM 5881 C CG . LEU E 3 12 ? 46.470 -15.386 -132.330 1.00 31.52 ? 17 LEU E CG 1 ATOM 5882 C CD1 . LEU E 3 12 ? 47.851 -15.685 -131.713 1.00 32.81 ? 17 LEU E CD1 1 ATOM 5883 C CD2 . LEU E 3 12 ? 45.386 -15.968 -131.455 1.00 33.97 ? 17 LEU E CD2 1 ATOM 5884 N N . ARG E 3 13 ? 48.030 -14.363 -135.274 1.00 28.12 ? 18 ARG E N 1 ATOM 5885 C CA . ARG E 3 13 ? 48.028 -14.933 -136.553 1.00 28.02 ? 18 ARG E CA 1 ATOM 5886 C C . ARG E 3 13 ? 47.825 -16.383 -136.378 1.00 32.17 ? 18 ARG E C 1 ATOM 5887 O O . ARG E 3 13 ? 48.501 -17.006 -135.640 1.00 32.99 ? 18 ARG E O 1 ATOM 5888 C CB . ARG E 3 13 ? 49.364 -14.719 -137.155 1.00 30.50 ? 18 ARG E CB 1 ATOM 5889 C CG . ARG E 3 13 ? 49.560 -13.344 -137.668 1.00 43.91 ? 18 ARG E CG 1 ATOM 5890 C CD . ARG E 3 13 ? 49.076 -13.301 -139.076 1.00 55.84 ? 18 ARG E CD 1 ATOM 5891 N NE . ARG E 3 13 ? 49.989 -14.017 -139.917 1.00 66.07 ? 18 ARG E NE 1 ATOM 5892 C CZ . ARG E 3 13 ? 51.163 -13.549 -140.279 1.00 82.42 ? 18 ARG E CZ 1 ATOM 5893 N NH1 . ARG E 3 13 ? 51.561 -12.354 -139.878 1.00 69.71 1 18 ARG E NH1 1 ATOM 5894 N NH2 . ARG E 3 13 ? 51.939 -14.276 -141.051 1.00 71.61 ? 18 ARG E NH2 1 ATOM 5895 N N . LEU E 3 14 ? 46.860 -16.904 -137.082 1.00 27.27 ? 19 LEU E N 1 ATOM 5896 C CA . LEU E 3 14 ? 46.577 -18.334 -137.073 1.00 27.54 ? 19 LEU E CA 1 ATOM 5897 C C . LEU E 3 14 ? 46.425 -18.860 -138.487 1.00 30.74 ? 19 LEU E C 1 ATOM 5898 O O . LEU E 3 14 ? 46.227 -18.097 -139.435 1.00 29.51 ? 19 LEU E O 1 ATOM 5899 C CB . LEU E 3 14 ? 45.302 -18.671 -136.260 1.00 26.89 ? 19 LEU E CB 1 ATOM 5900 C CG . LEU E 3 14 ? 45.266 -18.378 -134.750 1.00 30.64 ? 19 LEU E CG 1 ATOM 5901 C CD1 . LEU E 3 14 ? 43.935 -18.782 -134.176 1.00 30.17 ? 19 LEU E CD1 1 ATOM 5902 C CD2 . LEU E 3 14 ? 46.371 -19.109 -133.987 1.00 34.16 ? 19 LEU E CD2 1 ATOM 5903 N N . GLN E 3 15 ? 46.507 -20.178 -138.611 1.00 28.98 ? 20 GLN E N 1 ATOM 5904 C CA . GLN E 3 15 ? 46.307 -20.915 -139.845 1.00 29.55 ? 20 GLN E CA 1 ATOM 5905 C C . GLN E 3 15 ? 44.884 -21.453 -139.832 1.00 34.23 ? 20 GLN E C 1 ATOM 5906 O O . GLN E 3 15 ? 44.333 -21.651 -138.748 1.00 33.14 ? 20 GLN E O 1 ATOM 5907 C CB . GLN E 3 15 ? 47.341 -22.055 -139.939 1.00 32.72 ? 20 GLN E CB 1 ATOM 5908 C CG . GLN E 3 15 ? 47.748 -22.401 -141.368 1.00 41.20 ? 20 GLN E CG 1 ATOM 5909 C CD . GLN E 3 15 ? 48.433 -21.250 -142.067 1.00 55.58 ? 20 GLN E CD 1 ATOM 5910 O OE1 . GLN E 3 15 ? 49.379 -20.650 -141.545 1.00 48.26 ? 20 GLN E OE1 1 ATOM 5911 N NE2 . GLN E 3 15 ? 47.957 -20.914 -143.262 1.00 47.38 ? 20 GLN E NE2 1 ATOM 5912 N N . GLU E 3 16 ? 44.270 -21.672 -141.004 1.00 32.25 ? 21 GLU E N 1 ATOM 5913 C CA . GLU E 3 16 ? 42.924 -22.244 -141.024 1.00 32.49 ? 21 GLU E CA 1 ATOM 5914 C C . GLU E 3 16 ? 42.966 -23.616 -140.319 1.00 37.94 ? 21 GLU E C 1 ATOM 5915 O O . GLU E 3 16 ? 43.764 -24.479 -140.694 1.00 39.55 ? 21 GLU E O 1 ATOM 5916 C CB . GLU E 3 16 ? 42.374 -22.350 -142.457 1.00 34.20 ? 21 GLU E CB 1 ATOM 5917 C CG . GLU E 3 16 ? 40.871 -22.604 -142.486 1.00 44.66 ? 21 GLU E CG 1 ATOM 5918 C CD . GLU E 3 16 ? 40.193 -22.669 -143.842 1.00 60.31 ? 21 GLU E CD 1 ATOM 5919 O OE1 . GLU E 3 16 ? 38.995 -23.035 -143.878 1.00 54.77 ? 21 GLU E OE1 1 ATOM 5920 O OE2 . GLU E 3 16 ? 40.841 -22.337 -144.862 1.00 46.79 -1 21 GLU E OE2 1 ATOM 5921 N N . GLY E 3 17 ? 42.192 -23.743 -139.243 1.00 33.98 ? 22 GLY E N 1 ATOM 5922 C CA . GLY E 3 17 ? 42.123 -24.952 -138.433 1.00 35.42 ? 22 GLY E CA 1 ATOM 5923 C C . GLY E 3 17 ? 43.017 -24.951 -137.208 1.00 39.59 ? 22 GLY E C 1 ATOM 5924 O O . GLY E 3 17 ? 42.932 -25.868 -136.392 1.00 41.42 ? 22 GLY E O 1 ATOM 5925 N N . GLU E 3 18 ? 43.897 -23.944 -137.073 1.00 34.82 ? 23 GLU E N 1 ATOM 5926 C CA . GLU E 3 18 ? 44.830 -23.826 -135.949 1.00 34.92 ? 23 GLU E CA 1 ATOM 5927 C C . GLU E 3 18 ? 44.107 -23.276 -134.703 1.00 37.90 ? 23 GLU E C 1 ATOM 5928 O O . GLU E 3 18 ? 43.938 -22.061 -134.577 1.00 36.29 ? 23 GLU E O 1 ATOM 5929 C CB . GLU E 3 18 ? 46.035 -22.934 -136.337 1.00 35.68 ? 23 GLU E CB 1 ATOM 5930 C CG . GLU E 3 18 ? 47.134 -22.869 -135.285 1.00 44.12 ? 23 GLU E CG 1 ATOM 5931 C CD . GLU E 3 18 ? 48.209 -21.811 -135.456 1.00 53.35 ? 23 GLU E CD 1 ATOM 5932 O OE1 . GLU E 3 18 ? 48.922 -21.552 -134.460 1.00 41.33 ? 23 GLU E OE1 1 ATOM 5933 O OE2 . GLU E 3 18 ? 48.349 -21.244 -136.566 1.00 39.48 -1 23 GLU E OE2 1 ATOM 5934 N N . SER E 3 19 ? 43.683 -24.177 -133.792 1.00 34.94 ? 24 SER E N 1 ATOM 5935 C CA . SER E 3 19 ? 42.988 -23.825 -132.553 1.00 33.82 ? 24 SER E CA 1 ATOM 5936 C C . SER E 3 19 ? 43.873 -22.985 -131.640 1.00 38.78 ? 24 SER E C 1 ATOM 5937 O O . SER E 3 19 ? 45.083 -23.204 -131.600 1.00 40.78 ? 24 SER E O 1 ATOM 5938 C CB . SER E 3 19 ? 42.529 -25.077 -131.818 1.00 37.58 ? 24 SER E CB 1 ATOM 5939 O OG . SER E 3 19 ? 41.698 -25.869 -132.650 1.00 45.68 ? 24 SER E OG 1 ATOM 5940 N N . SER E 3 20 ? 43.278 -22.011 -130.930 1.00 34.38 ? 25 SER E N 1 ATOM 5941 C CA . SER E 3 20 ? 44.002 -21.113 -130.023 1.00 34.56 ? 25 SER E CA 1 ATOM 5942 C C . SER E 3 20 ? 43.094 -20.569 -128.912 1.00 37.21 ? 25 SER E C 1 ATOM 5943 O O . SER E 3 20 ? 41.914 -20.915 -128.853 1.00 36.55 ? 25 SER E O 1 ATOM 5944 C CB . SER E 3 20 ? 44.615 -19.952 -130.803 1.00 38.30 ? 25 SER E CB 1 ATOM 5945 O OG . SER E 3 20 ? 45.648 -19.302 -130.079 1.00 50.02 ? 25 SER E OG 1 ATOM 5946 N N . SER E 3 21 ? 43.658 -19.734 -128.023 1.00 32.83 ? 26 SER E N 1 ATOM 5947 C CA . SER E 3 21 ? 42.932 -19.120 -126.909 1.00 31.31 ? 26 SER E CA 1 ATOM 5948 C C . SER E 3 21 ? 43.346 -17.676 -126.714 1.00 32.51 ? 26 SER E C 1 ATOM 5949 O O . SER E 3 21 ? 44.531 -17.344 -126.781 1.00 32.87 ? 26 SER E O 1 ATOM 5950 C CB . SER E 3 21 ? 43.162 -19.892 -125.613 1.00 36.74 ? 26 SER E CB 1 ATOM 5951 O OG . SER E 3 21 ? 42.800 -21.254 -125.749 1.00 47.79 ? 26 SER E OG 1 ATOM 5952 N N . LEU E 3 22 ? 42.363 -16.821 -126.471 1.00 26.83 ? 27 LEU E N 1 ATOM 5953 C CA . LEU E 3 22 ? 42.571 -15.395 -126.209 1.00 25.47 ? 27 LEU E CA 1 ATOM 5954 C C . LEU E 3 22 ? 42.388 -15.148 -124.739 1.00 28.87 ? 27 LEU E C 1 ATOM 5955 O O . LEU E 3 22 ? 41.507 -15.749 -124.130 1.00 28.64 ? 27 LEU E O 1 ATOM 5956 C CB . LEU E 3 22 ? 41.606 -14.526 -127.027 1.00 23.76 ? 27 LEU E CB 1 ATOM 5957 C CG . LEU E 3 22 ? 41.508 -14.814 -128.523 1.00 27.48 ? 27 LEU E CG 1 ATOM 5958 C CD1 . LEU E 3 22 ? 40.701 -13.756 -129.200 1.00 25.73 ? 27 LEU E CD1 1 ATOM 5959 C CD2 . LEU E 3 22 ? 42.872 -14.880 -129.176 1.00 29.82 ? 27 LEU E CD2 1 ATOM 5960 N N . ASN E 3 23 ? 43.215 -14.284 -124.159 1.00 25.19 ? 28 ASN E N 1 ATOM 5961 C CA . ASN E 3 23 ? 43.131 -13.992 -122.733 1.00 25.38 ? 28 ASN E CA 1 ATOM 5962 C C . ASN E 3 23 ? 42.528 -12.617 -122.455 1.00 27.63 ? 28 ASN E C 1 ATOM 5963 O O . ASN E 3 23 ? 42.699 -11.677 -123.216 1.00 25.19 ? 28 ASN E O 1 ATOM 5964 C CB . ASN E 3 23 ? 44.531 -14.088 -122.077 1.00 29.13 ? 28 ASN E CB 1 ATOM 5965 C CG . ASN E 3 23 ? 44.559 -13.609 -120.643 1.00 52.15 ? 28 ASN E CG 1 ATOM 5966 O OD1 . ASN E 3 23 ? 44.038 -14.275 -119.741 1.00 44.60 ? 28 ASN E OD1 1 ATOM 5967 N ND2 . ASN E 3 23 ? 45.016 -12.372 -120.432 1.00 44.66 ? 28 ASN E ND2 1 ATOM 5968 N N . CYS E 3 24 ? 41.873 -12.514 -121.312 1.00 25.86 ? 29 CYS E N 1 ATOM 5969 C CA . CYS E 3 24 ? 41.348 -11.287 -120.772 1.00 25.82 ? 29 CYS E CA 1 ATOM 5970 C C . CYS E 3 24 ? 41.466 -11.332 -119.251 1.00 32.06 ? 29 CYS E C 1 ATOM 5971 O O . CYS E 3 24 ? 40.724 -12.057 -118.583 1.00 31.87 ? 29 CYS E O 1 ATOM 5972 C CB . CYS E 3 24 ? 39.916 -11.042 -121.226 1.00 25.10 ? 29 CYS E CB 1 ATOM 5973 S SG . CYS E 3 24 ? 39.164 -9.565 -120.507 1.00 28.72 ? 29 CYS E SG 1 ATOM 5974 N N . SER E 3 25 ? 42.419 -10.570 -118.714 1.00 29.64 ? 30 SER E N 1 ATOM 5975 C CA . SER E 3 25 ? 42.641 -10.442 -117.277 1.00 30.12 ? 30 SER E CA 1 ATOM 5976 C C . SER E 3 25 ? 42.018 -9.154 -116.767 1.00 33.99 ? 30 SER E C 1 ATOM 5977 O O . SER E 3 25 ? 42.006 -8.143 -117.468 1.00 33.21 ? 30 SER E O 1 ATOM 5978 C CB . SER E 3 25 ? 44.132 -10.455 -116.958 1.00 35.36 ? 30 SER E CB 1 ATOM 5979 O OG . SER E 3 25 ? 44.711 -11.670 -117.394 1.00 46.64 ? 30 SER E OG 1 ATOM 5980 N N . TYR E 3 26 ? 41.492 -9.197 -115.547 1.00 30.81 ? 31 TYR E N 1 ATOM 5981 C CA . TYR E 3 26 ? 40.905 -8.050 -114.874 1.00 30.00 ? 31 TYR E CA 1 ATOM 5982 C C . TYR E 3 26 ? 41.444 -8.104 -113.442 1.00 38.97 ? 31 TYR E C 1 ATOM 5983 O O . TYR E 3 26 ? 41.332 -9.128 -112.768 1.00 38.33 ? 31 TYR E O 1 ATOM 5984 C CB . TYR E 3 26 ? 39.359 -8.014 -115.004 1.00 27.72 ? 31 TYR E CB 1 ATOM 5985 C CG . TYR E 3 26 ? 38.641 -9.238 -114.482 1.00 26.56 ? 31 TYR E CG 1 ATOM 5986 C CD1 . TYR E 3 26 ? 38.498 -10.379 -115.271 1.00 27.57 ? 31 TYR E CD1 1 ATOM 5987 C CD2 . TYR E 3 26 ? 38.075 -9.249 -113.211 1.00 26.64 ? 31 TYR E CD2 1 ATOM 5988 C CE1 . TYR E 3 26 ? 37.856 -11.519 -114.786 1.00 28.26 ? 31 TYR E CE1 1 ATOM 5989 C CE2 . TYR E 3 26 ? 37.428 -10.381 -112.715 1.00 26.89 ? 31 TYR E CE2 1 ATOM 5990 C CZ . TYR E 3 26 ? 37.318 -11.513 -113.508 1.00 33.12 ? 31 TYR E CZ 1 ATOM 5991 O OH . TYR E 3 26 ? 36.682 -12.626 -113.013 1.00 30.58 ? 31 TYR E OH 1 ATOM 5992 N N . THR E 3 27 ? 42.175 -7.047 -113.055 1.00 40.43 ? 32 THR E N 1 ATOM 5993 C CA . THR E 3 27 ? 42.895 -6.901 -111.776 1.00 43.47 ? 32 THR E CA 1 ATOM 5994 C C . THR E 3 27 ? 41.983 -6.572 -110.576 1.00 49.08 ? 32 THR E C 1 ATOM 5995 O O . THR E 3 27 ? 42.469 -6.487 -109.439 1.00 51.04 ? 32 THR E O 1 ATOM 5996 C CB . THR E 3 27 ? 43.951 -5.785 -111.914 1.00 56.25 ? 32 THR E CB 1 ATOM 5997 O OG1 . THR E 3 27 ? 43.295 -4.555 -112.242 1.00 56.25 ? 32 THR E OG1 1 ATOM 5998 C CG2 . THR E 3 27 ? 45.037 -6.114 -112.947 1.00 55.93 ? 32 THR E CG2 1 ATOM 5999 N N . VAL E 3 28 ? 40.693 -6.426 -110.817 1.00 44.16 ? 33 VAL E N 1 ATOM 6000 C CA . VAL E 3 28 ? 39.792 -6.106 -109.744 1.00 43.85 ? 33 VAL E CA 1 ATOM 6001 C C . VAL E 3 28 ? 38.921 -7.258 -109.288 1.00 46.33 ? 33 VAL E C 1 ATOM 6002 O O . VAL E 3 28 ? 38.659 -8.159 -110.030 1.00 45.40 ? 33 VAL E O 1 ATOM 6003 C CB . VAL E 3 28 ? 38.903 -4.920 -110.103 1.00 46.78 ? 33 VAL E CB 1 ATOM 6004 C CG1 . VAL E 3 28 ? 38.026 -4.545 -108.915 1.00 46.55 ? 33 VAL E CG1 1 ATOM 6005 C CG2 . VAL E 3 28 ? 39.763 -3.746 -110.472 1.00 47.81 ? 33 VAL E CG2 1 ATOM 6006 N N . SER E 3 29 ? 38.451 -7.168 -108.058 1.00 41.63 ? 34 SER E N 1 ATOM 6007 C CA . SER E 3 29 ? 37.446 -8.055 -107.529 1.00 39.86 ? 34 SER E CA 1 ATOM 6008 C C . SER E 3 29 ? 36.121 -7.262 -107.380 1.00 39.69 ? 34 SER E C 1 ATOM 6009 O O . SER E 3 29 ? 36.134 -6.158 -106.902 1.00 40.38 ? 34 SER E O 1 ATOM 6010 C CB . SER E 3 29 ? 37.892 -8.617 -106.193 1.00 45.29 ? 34 SER E CB 1 ATOM 6011 O OG . SER E 3 29 ? 37.550 -7.748 -105.134 1.00 55.27 ? 34 SER E OG 1 ATOM 6012 N N . GLY E 3 30 ? 35.006 -7.823 -107.818 1.00 30.95 ? 35 GLY E N 1 ATOM 6013 C CA . GLY E 3 30 ? 33.785 -7.069 -107.870 1.00 27.89 ? 35 GLY E CA 1 ATOM 6014 C C . GLY E 3 30 ? 33.184 -7.005 -109.248 1.00 25.55 ? 35 GLY E C 1 ATOM 6015 O O . GLY E 3 30 ? 32.870 -5.967 -109.701 1.00 23.92 ? 35 GLY E O 1 ATOM 6016 N N . LEU E 3 31 ? 33.157 -8.118 -109.928 1.00 18.95 ? 36 LEU E N 1 ATOM 6017 C CA . LEU E 3 31 ? 32.585 -8.217 -111.211 1.00 17.40 ? 36 LEU E CA 1 ATOM 6018 C C . LEU E 3 31 ? 31.062 -8.217 -111.227 1.00 18.74 ? 36 LEU E C 1 ATOM 6019 O O . LEU E 3 31 ? 30.425 -8.773 -110.400 1.00 19.00 ? 36 LEU E O 1 ATOM 6020 C CB . LEU E 3 31 ? 33.119 -9.436 -111.898 1.00 17.73 ? 36 LEU E CB 1 ATOM 6021 C CG . LEU E 3 31 ? 32.895 -9.566 -113.373 1.00 21.71 ? 36 LEU E CG 1 ATOM 6022 C CD1 . LEU E 3 31 ? 33.789 -8.644 -114.169 1.00 22.31 ? 36 LEU E CD1 1 ATOM 6023 C CD2 . LEU E 3 31 ? 33.063 -11.017 -113.788 1.00 23.21 ? 36 LEU E CD2 1 ATOM 6024 N N . ARG E 3 32 ? 30.508 -7.595 -112.231 1.00 14.12 ? 37 ARG E N 1 ATOM 6025 C CA . ARG E 3 32 ? 29.091 -7.613 -112.452 1.00 13.18 ? 37 ARG E CA 1 ATOM 6026 C C . ARG E 3 32 ? 28.781 -8.321 -113.728 1.00 15.12 ? 37 ARG E C 1 ATOM 6027 O O . ARG E 3 32 ? 27.690 -8.666 -113.976 1.00 16.02 ? 37 ARG E O 1 ATOM 6028 C CB . ARG E 3 32 ? 28.532 -6.195 -112.466 1.00 11.33 ? 37 ARG E CB 1 ATOM 6029 C CG . ARG E 3 32 ? 28.204 -5.679 -111.090 1.00 12.54 ? 37 ARG E CG 1 ATOM 6030 C CD . ARG E 3 32 ? 27.944 -4.200 -111.007 1.00 12.50 ? 37 ARG E CD 1 ATOM 6031 N NE . ARG E 3 32 ? 26.657 -3.766 -111.509 1.00 11.50 ? 37 ARG E NE 1 ATOM 6032 C CZ . ARG E 3 32 ? 25.567 -3.602 -110.777 1.00 19.82 ? 37 ARG E CZ 1 ATOM 6033 N NH1 . ARG E 3 32 ? 25.562 -3.858 -109.513 1.00 8.95 1 37 ARG E NH1 1 ATOM 6034 N NH2 . ARG E 3 32 ? 24.490 -3.172 -111.323 1.00 13.77 ? 37 ARG E NH2 1 ATOM 6035 N N . GLY E 3 33 ? 29.792 -8.471 -114.543 1.00 10.79 ? 38 GLY E N 1 ATOM 6036 C CA . GLY E 3 33 ? 29.715 -9.191 -115.801 1.00 9.91 ? 38 GLY E CA 1 ATOM 6037 C C . GLY E 3 33 ? 30.929 -8.998 -116.671 1.00 12.53 ? 38 GLY E C 1 ATOM 6038 O O . GLY E 3 33 ? 31.525 -7.919 -116.696 1.00 12.36 ? 38 GLY E O 1 ATOM 6039 N N . LEU E 3 34 ? 31.313 -10.071 -117.371 1.00 9.81 ? 39 LEU E N 1 ATOM 6040 C CA . LEU E 3 34 ? 32.401 -10.067 -118.342 1.00 9.32 ? 39 LEU E CA 1 ATOM 6041 C C . LEU E 3 34 ? 31.760 -10.375 -119.695 1.00 11.07 ? 39 LEU E C 1 ATOM 6042 O O . LEU E 3 34 ? 30.948 -11.289 -119.810 1.00 10.74 ? 39 LEU E O 1 ATOM 6043 C CB . LEU E 3 34 ? 33.535 -11.037 -117.974 1.00 9.86 ? 39 LEU E CB 1 ATOM 6044 C CG . LEU E 3 34 ? 34.785 -10.957 -118.862 1.00 12.98 ? 39 LEU E CG 1 ATOM 6045 C CD1 . LEU E 3 34 ? 36.057 -11.162 -118.048 1.00 13.48 ? 39 LEU E CD1 1 ATOM 6046 C CD2 . LEU E 3 34 ? 34.701 -11.944 -120.039 1.00 14.36 ? 39 LEU E CD2 1 ATOM 6047 N N . PHE E 3 35 ? 32.088 -9.566 -120.697 1.00 8.95 ? 40 PHE E N 1 ATOM 6048 C CA . PHE E 3 35 ? 31.474 -9.635 -122.017 1.00 8.71 ? 40 PHE E CA 1 ATOM 6049 C C . PHE E 3 35 ? 32.492 -9.759 -123.140 1.00 9.58 ? 40 PHE E C 1 ATOM 6050 O O . PHE E 3 35 ? 33.437 -8.979 -123.198 1.00 8.76 ? 40 PHE E O 1 ATOM 6051 C CB . PHE E 3 35 ? 30.612 -8.371 -122.252 1.00 9.32 ? 40 PHE E CB 1 ATOM 6052 C CG . PHE E 3 35 ? 29.596 -8.076 -121.173 1.00 9.80 ? 40 PHE E CG 1 ATOM 6053 C CD1 . PHE E 3 35 ? 29.966 -7.410 -120.007 1.00 11.22 ? 40 PHE E CD1 1 ATOM 6054 C CD2 . PHE E 3 35 ? 28.272 -8.473 -121.317 1.00 10.59 ? 40 PHE E CD2 1 ATOM 6055 C CE1 . PHE E 3 35 ? 29.025 -7.141 -119.009 1.00 11.82 ? 40 PHE E CE1 1 ATOM 6056 C CE2 . PHE E 3 35 ? 27.327 -8.187 -120.329 1.00 12.68 ? 40 PHE E CE2 1 ATOM 6057 C CZ . PHE E 3 35 ? 27.710 -7.531 -119.177 1.00 11.54 ? 40 PHE E CZ 1 ATOM 6058 N N . TRP E 3 36 ? 32.247 -10.704 -124.062 1.00 8.65 ? 41 TRP E N 1 ATOM 6059 C CA . TRP E 3 36 ? 33.039 -10.916 -125.264 1.00 8.72 ? 41 TRP E CA 1 ATOM 6060 C C . TRP E 3 36 ? 32.265 -10.424 -126.477 1.00 11.21 ? 41 TRP E C 1 ATOM 6061 O O . TRP E 3 36 ? 31.061 -10.647 -126.593 1.00 10.50 ? 41 TRP E O 1 ATOM 6062 C CB . TRP E 3 36 ? 33.425 -12.395 -125.436 1.00 8.42 ? 41 TRP E CB 1 ATOM 6063 C CG . TRP E 3 36 ? 34.574 -12.828 -124.579 1.00 8.88 ? 41 TRP E CG 1 ATOM 6064 C CD1 . TRP E 3 36 ? 34.507 -13.495 -123.394 1.00 11.07 ? 41 TRP E CD1 1 ATOM 6065 C CD2 . TRP E 3 36 ? 35.960 -12.567 -124.816 1.00 9.03 ? 41 TRP E CD2 1 ATOM 6066 N NE1 . TRP E 3 36 ? 35.771 -13.730 -122.912 1.00 11.15 ? 41 TRP E NE1 1 ATOM 6067 C CE2 . TRP E 3 36 ? 36.683 -13.147 -123.750 1.00 12.33 ? 41 TRP E CE2 1 ATOM 6068 C CE3 . TRP E 3 36 ? 36.673 -11.941 -125.858 1.00 9.75 ? 41 TRP E CE3 1 ATOM 6069 C CZ2 . TRP E 3 36 ? 38.087 -13.125 -123.693 1.00 12.87 ? 41 TRP E CZ2 1 ATOM 6070 C CZ3 . TRP E 3 36 ? 38.060 -11.915 -125.799 1.00 11.45 ? 41 TRP E CZ3 1 ATOM 6071 C CH2 . TRP E 3 36 ? 38.752 -12.497 -124.723 1.00 12.82 ? 41 TRP E CH2 1 ATOM 6072 N N . TYR E 3 37 ? 32.977 -9.762 -127.384 1.00 10.33 ? 42 TYR E N 1 ATOM 6073 C CA . TYR E 3 37 ? 32.481 -9.204 -128.641 1.00 11.03 ? 42 TYR E CA 1 ATOM 6074 C C . TYR E 3 37 ? 33.455 -9.471 -129.744 1.00 16.29 ? 42 TYR E C 1 ATOM 6075 O O . TYR E 3 37 ? 34.649 -9.578 -129.465 1.00 16.35 ? 42 TYR E O 1 ATOM 6076 C CB . TYR E 3 37 ? 32.337 -7.668 -128.532 1.00 11.73 ? 42 TYR E CB 1 ATOM 6077 C CG . TYR E 3 37 ? 31.234 -7.171 -127.632 1.00 13.06 ? 42 TYR E CG 1 ATOM 6078 C CD1 . TYR E 3 37 ? 31.464 -6.943 -126.278 1.00 14.08 ? 42 TYR E CD1 1 ATOM 6079 C CD2 . TYR E 3 37 ? 29.989 -6.822 -128.151 1.00 13.87 ? 42 TYR E CD2 1 ATOM 6080 C CE1 . TYR E 3 37 ? 30.460 -6.457 -125.448 1.00 13.58 ? 42 TYR E CE1 1 ATOM 6081 C CE2 . TYR E 3 37 ? 28.986 -6.305 -127.336 1.00 14.66 ? 42 TYR E CE2 1 ATOM 6082 C CZ . TYR E 3 37 ? 29.226 -6.131 -125.984 1.00 16.90 ? 42 TYR E CZ 1 ATOM 6083 O OH . TYR E 3 37 ? 28.248 -5.638 -125.170 1.00 14.54 ? 42 TYR E OH 1 ATOM 6084 N N . ARG E 3 38 ? 32.979 -9.505 -131.001 1.00 15.93 ? 43 ARG E N 1 ATOM 6085 C CA . ARG E 3 38 ? 33.849 -9.601 -132.173 1.00 16.73 ? 43 ARG E CA 1 ATOM 6086 C C . ARG E 3 38 ? 33.540 -8.411 -133.073 1.00 22.60 ? 43 ARG E C 1 ATOM 6087 O O . ARG E 3 38 ? 32.373 -8.075 -133.297 1.00 22.47 ? 43 ARG E O 1 ATOM 6088 C CB . ARG E 3 38 ? 33.778 -10.952 -132.911 1.00 18.31 ? 43 ARG E CB 1 ATOM 6089 C CG . ARG E 3 38 ? 32.444 -11.343 -133.535 1.00 33.98 ? 43 ARG E CG 1 ATOM 6090 C CD . ARG E 3 38 ? 32.629 -12.460 -134.549 1.00 49.07 ? 43 ARG E CD 1 ATOM 6091 N NE . ARG E 3 38 ? 33.194 -11.961 -135.807 1.00 62.76 ? 43 ARG E NE 1 ATOM 6092 C CZ . ARG E 3 38 ? 33.497 -12.720 -136.857 1.00 76.30 ? 43 ARG E CZ 1 ATOM 6093 N NH1 . ARG E 3 38 ? 33.308 -14.034 -136.813 1.00 65.89 1 43 ARG E NH1 1 ATOM 6094 N NH2 . ARG E 3 38 ? 33.999 -12.173 -137.956 1.00 58.74 ? 43 ARG E NH2 1 ATOM 6095 N N . GLN E 3 39 ? 34.583 -7.736 -133.536 1.00 21.25 ? 44 GLN E N 1 ATOM 6096 C CA . GLN E 3 39 ? 34.418 -6.543 -134.343 1.00 21.93 ? 44 GLN E CA 1 ATOM 6097 C C . GLN E 3 39 ? 35.180 -6.634 -135.652 1.00 28.61 ? 44 GLN E C 1 ATOM 6098 O O . GLN E 3 39 ? 36.404 -6.781 -135.660 1.00 28.09 ? 44 GLN E O 1 ATOM 6099 C CB . GLN E 3 39 ? 34.860 -5.294 -133.552 1.00 22.85 ? 44 GLN E CB 1 ATOM 6100 C CG . GLN E 3 39 ? 34.619 -3.968 -134.283 1.00 23.71 ? 44 GLN E CG 1 ATOM 6101 C CD . GLN E 3 39 ? 35.157 -2.769 -133.549 1.00 30.66 ? 44 GLN E CD 1 ATOM 6102 O OE1 . GLN E 3 39 ? 36.162 -2.837 -132.829 1.00 19.69 ? 44 GLN E OE1 1 ATOM 6103 N NE2 . GLN E 3 39 ? 34.513 -1.627 -133.743 1.00 26.04 ? 44 GLN E NE2 1 ATOM 6104 N N . ASP E 3 40 ? 34.434 -6.513 -136.758 1.00 27.57 ? 45 ASP E N 1 ATOM 6105 C CA . ASP E 3 40 ? 34.978 -6.412 -138.105 1.00 28.78 ? 45 ASP E CA 1 ATOM 6106 C C . ASP E 3 40 ? 35.362 -4.939 -138.241 1.00 34.63 ? 45 ASP E C 1 ATOM 6107 O O . ASP E 3 40 ? 34.456 -4.106 -138.139 1.00 34.70 ? 45 ASP E O 1 ATOM 6108 C CB . ASP E 3 40 ? 33.942 -6.880 -139.151 1.00 31.52 ? 45 ASP E CB 1 ATOM 6109 C CG . ASP E 3 40 ? 33.472 -8.328 -139.001 1.00 46.44 ? 45 ASP E CG 1 ATOM 6110 O OD1 . ASP E 3 40 ? 34.088 -9.083 -138.206 1.00 47.08 ? 45 ASP E OD1 1 ATOM 6111 O OD2 . ASP E 3 40 ? 32.491 -8.708 -139.681 1.00 54.49 -1 45 ASP E OD2 1 ATOM 6112 N N . PRO E 3 41 ? 36.682 -4.568 -138.277 1.00 32.60 ? 46 PRO E N 1 ATOM 6113 C CA . PRO E 3 41 ? 37.056 -3.136 -138.261 1.00 33.02 ? 46 PRO E CA 1 ATOM 6114 C C . PRO E 3 41 ? 36.201 -2.255 -139.177 1.00 37.49 ? 46 PRO E C 1 ATOM 6115 O O . PRO E 3 41 ? 35.961 -2.593 -140.340 1.00 37.65 ? 46 PRO E O 1 ATOM 6116 C CB . PRO E 3 41 ? 38.526 -3.155 -138.667 1.00 34.92 ? 46 PRO E CB 1 ATOM 6117 C CG . PRO E 3 41 ? 39.025 -4.440 -138.076 1.00 38.98 ? 46 PRO E CG 1 ATOM 6118 C CD . PRO E 3 41 ? 37.892 -5.422 -138.293 1.00 34.20 ? 46 PRO E CD 1 ATOM 6119 N N . GLY E 3 42 ? 35.678 -1.180 -138.582 1.00 33.61 ? 47 GLY E N 1 ATOM 6120 C CA . GLY E 3 42 ? 34.768 -0.245 -139.230 1.00 33.85 ? 47 GLY E CA 1 ATOM 6121 C C . GLY E 3 42 ? 33.319 -0.483 -138.837 1.00 36.71 ? 47 GLY E C 1 ATOM 6122 O O . GLY E 3 42 ? 32.527 0.460 -138.831 1.00 38.06 ? 47 GLY E O 1 ATOM 6123 N N . LYS E 3 43 ? 32.954 -1.756 -138.529 1.00 30.22 ? 48 LYS E N 1 ATOM 6124 C CA . LYS E 3 43 ? 31.599 -2.170 -138.121 1.00 29.00 ? 48 LYS E CA 1 ATOM 6125 C C . LYS E 3 43 ? 31.450 -2.168 -136.585 1.00 29.06 ? 48 LYS E C 1 ATOM 6126 O O . LYS E 3 43 ? 32.441 -2.114 -135.860 1.00 28.00 ? 48 LYS E O 1 ATOM 6127 C CB . LYS E 3 43 ? 31.251 -3.562 -138.689 1.00 31.17 ? 48 LYS E CB 1 ATOM 6128 C CG . LYS E 3 43 ? 30.775 -3.551 -140.140 1.00 47.10 ? 48 LYS E CG 1 ATOM 6129 C CD . LYS E 3 43 ? 31.898 -3.807 -141.130 1.00 57.70 ? 48 LYS E CD 1 ATOM 6130 C CE . LYS E 3 43 ? 32.321 -2.545 -141.836 1.00 71.34 ? 48 LYS E CE 1 ATOM 6131 N NZ . LYS E 3 43 ? 33.784 -2.522 -142.080 1.00 79.08 1 48 LYS E NZ 1 ATOM 6132 N N . GLY E 3 44 ? 30.214 -2.214 -136.111 1.00 23.33 ? 49 GLY E N 1 ATOM 6133 C CA . GLY E 3 44 ? 29.930 -2.222 -134.684 1.00 21.43 ? 49 GLY E CA 1 ATOM 6134 C C . GLY E 3 44 ? 30.253 -3.540 -134.013 1.00 21.98 ? 49 GLY E C 1 ATOM 6135 O O . GLY E 3 44 ? 30.084 -4.591 -134.636 1.00 22.30 ? 49 GLY E O 1 ATOM 6136 N N . PRO E 3 45 ? 30.710 -3.532 -132.736 1.00 16.54 ? 50 PRO E N 1 ATOM 6137 C CA . PRO E 3 45 ? 30.978 -4.812 -132.044 1.00 15.13 ? 50 PRO E CA 1 ATOM 6138 C C . PRO E 3 45 ? 29.750 -5.741 -132.003 1.00 17.59 ? 50 PRO E C 1 ATOM 6139 O O . PRO E 3 45 ? 28.651 -5.320 -131.652 1.00 18.21 ? 50 PRO E O 1 ATOM 6140 C CB . PRO E 3 45 ? 31.379 -4.382 -130.631 1.00 15.93 ? 50 PRO E CB 1 ATOM 6141 C CG . PRO E 3 45 ? 31.820 -2.959 -130.764 1.00 19.36 ? 50 PRO E CG 1 ATOM 6142 C CD . PRO E 3 45 ? 30.980 -2.375 -131.856 1.00 17.31 ? 50 PRO E CD 1 ATOM 6143 N N . GLU E 3 46 ? 29.943 -6.990 -132.422 1.00 14.45 ? 51 GLU E N 1 ATOM 6144 C CA . GLU E 3 46 ? 28.936 -8.038 -132.418 1.00 14.45 ? 51 GLU E CA 1 ATOM 6145 C C . GLU E 3 46 ? 29.099 -8.838 -131.127 1.00 16.79 ? 51 GLU E C 1 ATOM 6146 O O . GLU E 3 46 ? 30.177 -9.407 -130.894 1.00 16.22 ? 51 GLU E O 1 ATOM 6147 C CB . GLU E 3 46 ? 29.081 -8.938 -133.665 1.00 15.41 ? 51 GLU E CB 1 ATOM 6148 C CG . GLU E 3 46 ? 28.061 -10.067 -133.744 1.00 28.71 ? 51 GLU E CG 1 ATOM 6149 C CD . GLU E 3 46 ? 28.412 -11.238 -134.643 1.00 57.84 ? 51 GLU E CD 1 ATOM 6150 O OE1 . GLU E 3 46 ? 28.117 -12.387 -134.244 1.00 54.03 ? 51 GLU E OE1 1 ATOM 6151 O OE2 . GLU E 3 46 ? 28.963 -11.015 -135.747 1.00 58.36 -1 51 GLU E OE2 1 ATOM 6152 N N . PHE E 3 47 ? 28.019 -8.895 -130.309 1.00 14.48 ? 52 PHE E N 1 ATOM 6153 C CA . PHE E 3 47 ? 27.999 -9.593 -129.023 1.00 14.30 ? 52 PHE E CA 1 ATOM 6154 C C . PHE E 3 47 ? 28.169 -11.096 -129.184 1.00 17.52 ? 52 PHE E C 1 ATOM 6155 O O . PHE E 3 47 ? 27.554 -11.693 -130.072 1.00 18.08 ? 52 PHE E O 1 ATOM 6156 C CB . PHE E 3 47 ? 26.706 -9.286 -128.252 1.00 15.92 ? 52 PHE E CB 1 ATOM 6157 C CG . PHE E 3 47 ? 26.500 -10.123 -127.012 1.00 16.52 ? 52 PHE E CG 1 ATOM 6158 C CD1 . PHE E 3 47 ? 27.285 -9.924 -125.879 1.00 17.60 ? 52 PHE E CD1 1 ATOM 6159 C CD2 . PHE E 3 47 ? 25.541 -11.132 -126.987 1.00 17.60 ? 52 PHE E CD2 1 ATOM 6160 C CE1 . PHE E 3 47 ? 27.097 -10.702 -124.741 1.00 17.88 ? 52 PHE E CE1 1 ATOM 6161 C CE2 . PHE E 3 47 ? 25.364 -11.918 -125.849 1.00 19.54 ? 52 PHE E CE2 1 ATOM 6162 C CZ . PHE E 3 47 ? 26.132 -11.689 -124.731 1.00 17.16 ? 52 PHE E CZ 1 ATOM 6163 N N . LEU E 3 48 ? 28.972 -11.708 -128.283 1.00 14.98 ? 53 LEU E N 1 ATOM 6164 C CA . LEU E 3 48 ? 29.198 -13.155 -128.302 1.00 14.91 ? 53 LEU E CA 1 ATOM 6165 C C . LEU E 3 48 ? 28.712 -13.842 -127.016 1.00 18.46 ? 53 LEU E C 1 ATOM 6166 O O . LEU E 3 48 ? 27.868 -14.732 -127.102 1.00 19.16 ? 53 LEU E O 1 ATOM 6167 C CB . LEU E 3 48 ? 30.690 -13.492 -128.542 1.00 14.62 ? 53 LEU E CB 1 ATOM 6168 C CG . LEU E 3 48 ? 31.335 -12.964 -129.820 1.00 16.36 ? 53 LEU E CG 1 ATOM 6169 C CD1 . LEU E 3 48 ? 32.830 -13.154 -129.778 1.00 15.77 ? 53 LEU E CD1 1 ATOM 6170 C CD2 . LEU E 3 48 ? 30.750 -13.631 -131.046 1.00 17.79 ? 53 LEU E CD2 1 ATOM 6171 N N . PHE E 3 49 ? 29.274 -13.481 -125.842 1.00 16.12 ? 54 PHE E N 1 ATOM 6172 C CA . PHE E 3 49 ? 28.948 -14.148 -124.574 1.00 16.54 ? 54 PHE E CA 1 ATOM 6173 C C . PHE E 3 49 ? 28.988 -13.241 -123.363 1.00 17.82 ? 54 PHE E C 1 ATOM 6174 O O . PHE E 3 49 ? 29.700 -12.240 -123.358 1.00 17.12 ? 54 PHE E O 1 ATOM 6175 C CB . PHE E 3 49 ? 29.946 -15.307 -124.292 1.00 18.77 ? 54 PHE E CB 1 ATOM 6176 C CG . PHE E 3 49 ? 30.189 -16.304 -125.393 1.00 21.34 ? 54 PHE E CG 1 ATOM 6177 C CD1 . PHE E 3 49 ? 29.249 -17.290 -125.683 1.00 25.71 ? 54 PHE E CD1 1 ATOM 6178 C CD2 . PHE E 3 49 ? 31.383 -16.297 -126.108 1.00 24.03 ? 54 PHE E CD2 1 ATOM 6179 C CE1 . PHE E 3 49 ? 29.480 -18.221 -126.700 1.00 27.55 ? 54 PHE E CE1 1 ATOM 6180 C CE2 . PHE E 3 49 ? 31.617 -17.236 -127.119 1.00 27.55 ? 54 PHE E CE2 1 ATOM 6181 C CZ . PHE E 3 49 ? 30.661 -18.187 -127.409 1.00 26.59 ? 54 PHE E CZ 1 ATOM 6182 N N . THR E 3 50 ? 28.261 -13.648 -122.303 1.00 15.61 ? 55 THR E N 1 ATOM 6183 C CA . THR E 3 50 ? 28.240 -13.005 -120.990 1.00 15.61 ? 55 THR E CA 1 ATOM 6184 C C . THR E 3 50 ? 28.519 -14.068 -119.943 1.00 18.32 ? 55 THR E C 1 ATOM 6185 O O . THR E 3 50 ? 27.907 -15.135 -119.962 1.00 18.35 ? 55 THR E O 1 ATOM 6186 C CB . THR E 3 50 ? 26.924 -12.255 -120.692 1.00 22.18 ? 55 THR E CB 1 ATOM 6187 O OG1 . THR E 3 50 ? 26.675 -11.321 -121.730 1.00 24.24 ? 55 THR E OG1 1 ATOM 6188 C CG2 . THR E 3 50 ? 26.985 -11.486 -119.372 1.00 21.47 ? 55 THR E CG2 1 ATOM 6189 N N . LEU E 3 51 ? 29.450 -13.764 -119.035 1.00 16.22 ? 56 LEU E N 1 ATOM 6190 C CA . LEU E 3 51 ? 29.856 -14.633 -117.935 1.00 16.88 ? 56 LEU E CA 1 ATOM 6191 C C . LEU E 3 51 ? 29.848 -13.808 -116.667 1.00 18.97 ? 56 LEU E C 1 ATOM 6192 O O . LEU E 3 51 ? 30.384 -12.703 -116.669 1.00 18.60 ? 56 LEU E O 1 ATOM 6193 C CB . LEU E 3 51 ? 31.247 -15.236 -118.200 1.00 17.78 ? 56 LEU E CB 1 ATOM 6194 C CG . LEU E 3 51 ? 31.444 -16.061 -119.490 1.00 21.90 ? 56 LEU E CG 1 ATOM 6195 C CD1 . LEU E 3 51 ? 32.815 -15.814 -120.077 1.00 22.37 ? 56 LEU E CD1 1 ATOM 6196 C CD2 . LEU E 3 51 ? 31.268 -17.550 -119.228 1.00 25.26 ? 56 LEU E CD2 1 ATOM 6197 N N . TYR E 3 52 ? 29.173 -14.270 -115.640 1.00 16.96 ? 57 TYR E N 1 ATOM 6198 C CA . TYR E 3 52 ? 29.093 -13.536 -114.415 1.00 17.22 ? 57 TYR E CA 1 ATOM 6199 C C . TYR E 3 52 ? 29.920 -14.110 -113.308 1.00 23.60 ? 57 TYR E C 1 ATOM 6200 O O . TYR E 3 52 ? 30.331 -13.432 -112.447 1.00 23.39 ? 57 TYR E O 1 ATOM 6201 C CB . TYR E 3 52 ? 27.654 -13.463 -113.944 1.00 17.74 ? 57 TYR E CB 1 ATOM 6202 C CG . TYR E 3 52 ? 26.661 -13.025 -114.961 1.00 18.16 ? 57 TYR E CG 1 ATOM 6203 C CD1 . TYR E 3 52 ? 26.412 -11.688 -115.193 1.00 19.25 ? 57 TYR E CD1 1 ATOM 6204 C CD2 . TYR E 3 52 ? 25.940 -13.934 -115.653 1.00 18.61 ? 57 TYR E CD2 1 ATOM 6205 C CE1 . TYR E 3 52 ? 25.486 -11.296 -116.103 1.00 19.94 ? 57 TYR E CE1 1 ATOM 6206 C CE2 . TYR E 3 52 ? 25.037 -13.557 -116.570 1.00 19.08 ? 57 TYR E CE2 1 ATOM 6207 C CZ . TYR E 3 52 ? 24.805 -12.241 -116.789 1.00 27.40 ? 57 TYR E CZ 1 ATOM 6208 O OH . TYR E 3 52 ? 23.887 -11.931 -117.707 1.00 29.14 ? 57 TYR E OH 1 ATOM 6209 N N . SER E 3 53 ? 30.165 -15.396 -113.379 1.00 23.51 ? 58 SER E N 1 ATOM 6210 C CA . SER E 3 53 ? 30.657 -16.184 -112.288 1.00 25.36 ? 58 SER E CA 1 ATOM 6211 C C . SER E 3 53 ? 31.832 -17.135 -112.617 1.00 31.01 ? 58 SER E C 1 ATOM 6212 O O . SER E 3 53 ? 31.843 -17.777 -113.631 1.00 30.92 ? 58 SER E O 1 ATOM 6213 C CB . SER E 3 53 ? 29.471 -16.990 -111.779 1.00 30.59 ? 58 SER E CB 1 ATOM 6214 O OG . SER E 3 53 ? 29.458 -17.007 -110.410 1.00 40.37 ? 58 SER E OG 1 ATOM 6215 N N . ALA E 3 54 ? 32.774 -17.251 -111.704 1.00 28.88 ? 59 ALA E N 1 ATOM 6216 C CA . ALA E 3 54 ? 33.921 -18.112 -111.879 1.00 30.65 ? 59 ALA E CA 1 ATOM 6217 C C . ALA E 3 54 ? 33.529 -19.577 -111.992 1.00 37.40 ? 59 ALA E C 1 ATOM 6218 O O . ALA E 3 54 ? 32.636 -20.040 -111.327 1.00 37.66 ? 59 ALA E O 1 ATOM 6219 C CB . ALA E 3 54 ? 34.903 -17.910 -110.761 1.00 32.29 ? 59 ALA E CB 1 ATOM 6220 N N . GLY E 3 55 ? 34.198 -20.283 -112.887 1.00 35.28 ? 63 GLY E N 1 ATOM 6221 C CA . GLY E 3 55 ? 33.862 -21.637 -113.233 1.00 36.28 ? 63 GLY E CA 1 ATOM 6222 C C . GLY E 3 55 ? 32.789 -21.730 -114.278 1.00 39.52 ? 63 GLY E C 1 ATOM 6223 O O . GLY E 3 55 ? 32.355 -22.791 -114.633 1.00 40.64 ? 63 GLY E O 1 ATOM 6224 N N . GLU E 3 56 ? 32.342 -20.598 -114.764 1.00 34.00 ? 64 GLU E N 1 ATOM 6225 C CA . GLU E 3 56 ? 31.362 -20.570 -115.829 1.00 33.14 ? 64 GLU E CA 1 ATOM 6226 C C . GLU E 3 56 ? 31.975 -20.754 -117.197 1.00 38.24 ? 64 GLU E C 1 ATOM 6227 O O . GLU E 3 56 ? 33.092 -20.416 -117.421 1.00 37.38 ? 64 GLU E O 1 ATOM 6228 C CB . GLU E 3 56 ? 30.645 -19.244 -115.835 1.00 32.78 ? 64 GLU E CB 1 ATOM 6229 C CG . GLU E 3 56 ? 29.273 -19.217 -115.245 1.00 39.70 ? 64 GLU E CG 1 ATOM 6230 C CD . GLU E 3 56 ? 28.492 -18.030 -115.732 1.00 53.16 ? 64 GLU E CD 1 ATOM 6231 O OE1 . GLU E 3 56 ? 28.304 -17.963 -116.932 1.00 46.41 ? 64 GLU E OE1 1 ATOM 6232 O OE2 . GLU E 3 56 ? 28.088 -17.199 -114.925 1.00 44.50 -1 64 GLU E OE2 1 ATOM 6233 N N . GLU E 3 57 ? 31.177 -21.269 -118.108 1.00 35.73 ? 65 GLU E N 1 ATOM 6234 C CA . GLU E 3 57 ? 31.579 -21.404 -119.500 1.00 35.51 ? 65 GLU E CA 1 ATOM 6235 C C . GLU E 3 57 ? 30.359 -21.458 -120.424 1.00 38.09 ? 65 GLU E C 1 ATOM 6236 O O . GLU E 3 57 ? 29.371 -22.118 -120.113 1.00 39.63 ? 65 GLU E O 1 ATOM 6237 C CB . GLU E 3 57 ? 32.527 -22.599 -119.742 1.00 38.60 ? 65 GLU E CB 1 ATOM 6238 C CG . GLU E 3 57 ? 32.125 -23.933 -119.137 1.00 52.39 ? 65 GLU E CG 1 ATOM 6239 C CD . GLU E 3 57 ? 33.179 -25.019 -119.268 1.00 79.20 ? 65 GLU E CD 1 ATOM 6240 O OE1 . GLU E 3 57 ? 34.389 -24.698 -119.205 1.00 72.73 ? 65 GLU E OE1 1 ATOM 6241 O OE2 . GLU E 3 57 ? 32.791 -26.201 -119.411 1.00 78.23 -1 65 GLU E OE2 1 ATOM 6242 N N . LYS E 3 58 ? 30.425 -20.704 -121.530 1.00 31.29 ? 66 LYS E N 1 ATOM 6243 C CA . LYS E 3 58 ? 29.400 -20.619 -122.579 1.00 29.60 ? 66 LYS E CA 1 ATOM 6244 C C . LYS E 3 58 ? 30.035 -21.076 -123.901 1.00 32.94 ? 66 LYS E C 1 ATOM 6245 O O . LYS E 3 58 ? 31.235 -20.872 -124.114 1.00 31.00 ? 66 LYS E O 1 ATOM 6246 C CB . LYS E 3 58 ? 28.813 -19.188 -122.706 1.00 29.39 ? 66 LYS E CB 1 ATOM 6247 C CG . LYS E 3 58 ? 28.374 -18.492 -121.398 1.00 32.20 ? 66 LYS E CG 1 ATOM 6248 C CD . LYS E 3 58 ? 26.928 -18.772 -120.996 1.00 35.69 ? 66 LYS E CD 1 ATOM 6249 C CE . LYS E 3 58 ? 25.968 -17.649 -121.323 1.00 39.03 ? 66 LYS E CE 1 ATOM 6250 N NZ . LYS E 3 58 ? 25.660 -16.806 -120.131 1.00 36.60 1 66 LYS E NZ 1 ATOM 6251 N N . GLU E 3 59 ? 29.304 -21.785 -124.713 1.00 31.24 ? 67 GLU E N 1 ATOM 6252 C CA . GLU E 3 59 ? 29.864 -22.255 -125.935 1.00 32.02 ? 67 GLU E CA 1 ATOM 6253 C C . GLU E 3 59 ? 28.942 -22.035 -127.087 1.00 35.83 ? 67 GLU E C 1 ATOM 6254 O O . GLU E 3 59 ? 27.814 -22.364 -127.007 1.00 36.37 ? 67 GLU E O 1 ATOM 6255 C CB . GLU E 3 59 ? 30.160 -23.761 -125.813 1.00 35.53 ? 67 GLU E CB 1 ATOM 6256 C CG . GLU E 3 59 ? 31.331 -24.258 -126.643 1.00 48.59 ? 67 GLU E CG 1 ATOM 6257 C CD . GLU E 3 59 ? 31.529 -25.764 -126.668 1.00 80.67 ? 67 GLU E CD 1 ATOM 6258 O OE1 . GLU E 3 59 ? 30.560 -26.527 -126.856 1.00 80.82 ? 67 GLU E OE1 1 ATOM 6259 O OE2 . GLU E 3 59 ? 32.688 -26.195 -126.545 1.00 78.10 -1 67 GLU E OE2 1 ATOM 6260 N N . LYS E 3 60 ? 29.430 -21.468 -128.164 1.00 31.41 ? 68 LYS E N 1 ATOM 6261 C CA . LYS E 3 60 ? 28.639 -21.338 -129.352 1.00 31.37 ? 68 LYS E CA 1 ATOM 6262 C C . LYS E 3 60 ? 29.525 -21.516 -130.522 1.00 35.39 ? 68 LYS E C 1 ATOM 6263 O O . LYS E 3 60 ? 30.396 -20.745 -130.722 1.00 34.15 ? 68 LYS E O 1 ATOM 6264 C CB . LYS E 3 60 ? 27.907 -20.042 -129.438 1.00 32.17 ? 68 LYS E CB 1 ATOM 6265 C CG . LYS E 3 60 ? 26.802 -20.117 -130.432 1.00 43.03 ? 68 LYS E CG 1 ATOM 6266 C CD . LYS E 3 60 ? 26.681 -18.857 -131.228 1.00 47.89 ? 68 LYS E CD 1 ATOM 6267 C CE . LYS E 3 60 ? 25.243 -18.575 -131.580 1.00 49.18 ? 68 LYS E CE 1 ATOM 6268 N NZ . LYS E 3 60 ? 24.527 -18.119 -130.373 1.00 51.94 1 68 LYS E NZ 1 ATOM 6269 N N . GLU E 3 61 ? 29.255 -22.540 -131.308 1.00 33.43 ? 74 GLU E N 1 ATOM 6270 C CA . GLU E 3 61 ? 30.018 -22.898 -132.478 1.00 33.52 ? 74 GLU E CA 1 ATOM 6271 C C . GLU E 3 61 ? 31.478 -23.227 -132.174 1.00 36.40 ? 74 GLU E C 1 ATOM 6272 O O . GLU E 3 61 ? 31.756 -24.052 -131.348 1.00 36.15 ? 74 GLU E O 1 ATOM 6273 C CB . GLU E 3 61 ? 29.861 -21.841 -133.531 1.00 33.93 ? 74 GLU E CB 1 ATOM 6274 C CG . GLU E 3 61 ? 28.607 -21.945 -134.330 1.00 48.58 ? 74 GLU E CG 1 ATOM 6275 C CD . GLU E 3 61 ? 28.417 -20.762 -135.236 1.00 73.65 ? 74 GLU E CD 1 ATOM 6276 O OE1 . GLU E 3 61 ? 28.769 -20.874 -136.428 1.00 72.21 ? 74 GLU E OE1 1 ATOM 6277 O OE2 . GLU E 3 61 ? 27.939 -19.713 -134.753 1.00 62.20 -1 74 GLU E OE2 1 ATOM 6278 N N . ARG E 3 62 ? 32.372 -22.506 -132.825 1.00 31.34 ? 75 ARG E N 1 ATOM 6279 C CA . ARG E 3 62 ? 33.789 -22.651 -132.670 1.00 29.86 ? 75 ARG E CA 1 ATOM 6280 C C . ARG E 3 62 ? 34.322 -21.889 -131.512 1.00 29.47 ? 75 ARG E C 1 ATOM 6281 O O . ARG E 3 62 ? 35.482 -21.902 -131.280 1.00 29.30 ? 75 ARG E O 1 ATOM 6282 C CB . ARG E 3 62 ? 34.468 -22.149 -133.897 1.00 28.88 ? 75 ARG E CB 1 ATOM 6283 C CG . ARG E 3 62 ? 34.100 -22.922 -135.114 1.00 38.10 ? 75 ARG E CG 1 ATOM 6284 C CD . ARG E 3 62 ? 34.970 -22.510 -136.250 1.00 42.13 ? 75 ARG E CD 1 ATOM 6285 N NE . ARG E 3 62 ? 34.458 -21.379 -136.977 1.00 48.43 ? 75 ARG E NE 1 ATOM 6286 C CZ . ARG E 3 62 ? 33.339 -21.396 -137.675 1.00 61.11 ? 75 ARG E CZ 1 ATOM 6287 N NH1 . ARG E 3 62 ? 32.596 -22.463 -137.725 1.00 45.80 1 75 ARG E NH1 1 ATOM 6288 N NH2 . ARG E 3 62 ? 32.959 -20.342 -138.321 1.00 49.64 ? 75 ARG E NH2 1 ATOM 6289 N N . LEU E 3 63 ? 33.461 -21.202 -130.788 1.00 22.61 ? 76 LEU E N 1 ATOM 6290 C CA . LEU E 3 63 ? 33.890 -20.402 -129.658 1.00 20.90 ? 76 LEU E CA 1 ATOM 6291 C C . LEU E 3 63 ? 33.473 -20.876 -128.314 1.00 23.54 ? 76 LEU E C 1 ATOM 6292 O O . LEU E 3 63 ? 32.429 -21.344 -128.149 1.00 23.05 ? 76 LEU E O 1 ATOM 6293 C CB . LEU E 3 63 ? 33.504 -18.945 -129.832 1.00 18.98 ? 76 LEU E CB 1 ATOM 6294 C CG . LEU E 3 63 ? 33.917 -18.197 -131.062 1.00 20.79 ? 76 LEU E CG 1 ATOM 6295 C CD1 . LEU E 3 63 ? 33.294 -16.840 -131.051 1.00 19.52 ? 76 LEU E CD1 1 ATOM 6296 C CD2 . LEU E 3 63 ? 35.396 -18.055 -131.060 1.00 22.36 ? 76 LEU E CD2 1 ATOM 6297 N N . LYS E 3 64 ? 34.361 -20.782 -127.363 1.00 21.90 ? 77 LYS E N 1 ATOM 6298 C CA . LYS E 3 64 ? 34.067 -21.182 -126.025 1.00 22.22 ? 77 LYS E CA 1 ATOM 6299 C C . LYS E 3 64 ? 34.649 -20.190 -125.073 1.00 24.42 ? 77 LYS E C 1 ATOM 6300 O O . LYS E 3 64 ? 35.802 -19.960 -125.026 1.00 24.92 ? 77 LYS E O 1 ATOM 6301 C CB . LYS E 3 64 ? 34.595 -22.577 -125.759 1.00 25.55 ? 77 LYS E CB 1 ATOM 6302 C CG . LYS E 3 64 ? 33.867 -23.436 -124.775 1.00 36.45 ? 77 LYS E CG 1 ATOM 6303 C CD . LYS E 3 64 ? 34.904 -23.947 -123.805 1.00 48.69 ? 77 LYS E CD 1 ATOM 6304 C CE . LYS E 3 64 ? 34.719 -25.372 -123.350 1.00 60.24 ? 77 LYS E CE 1 ATOM 6305 N NZ . LYS E 3 64 ? 35.746 -25.644 -122.318 1.00 69.48 1 77 LYS E NZ 1 ATOM 6306 N N . ALA E 3 65 ? 33.807 -19.606 -124.276 1.00 21.26 ? 78 ALA E N 1 ATOM 6307 C CA . ALA E 3 65 ? 34.315 -18.664 -123.278 1.00 20.19 ? 78 ALA E CA 1 ATOM 6308 C C . ALA E 3 65 ? 34.276 -19.285 -121.884 1.00 23.37 ? 78 ALA E C 1 ATOM 6309 O O . ALA E 3 65 ? 33.329 -19.996 -121.573 1.00 23.80 ? 78 ALA E O 1 ATOM 6310 C CB . ALA E 3 65 ? 33.510 -17.379 -123.308 1.00 18.99 ? 78 ALA E CB 1 ATOM 6311 N N . THR E 3 66 ? 35.330 -19.066 -121.078 1.00 20.97 ? 79 THR E N 1 ATOM 6312 C CA . THR E 3 66 ? 35.452 -19.554 -119.697 1.00 22.05 ? 79 THR E CA 1 ATOM 6313 C C . THR E 3 66 ? 35.760 -18.379 -118.773 1.00 24.34 ? 79 THR E C 1 ATOM 6314 O O . THR E 3 66 ? 36.256 -17.364 -119.244 1.00 23.74 ? 79 THR E O 1 ATOM 6315 C CB . THR E 3 66 ? 36.528 -20.641 -119.547 1.00 30.76 ? 79 THR E CB 1 ATOM 6316 O OG1 . THR E 3 66 ? 37.820 -20.047 -119.684 1.00 34.86 ? 79 THR E OG1 1 ATOM 6317 C CG2 . THR E 3 66 ? 36.341 -21.818 -120.504 1.00 29.27 ? 79 THR E CG2 1 ATOM 6318 N N . LEU E 3 67 ? 35.488 -18.514 -117.469 1.00 22.34 ? 80 LEU E N 1 ATOM 6319 C CA . LEU E 3 67 ? 35.728 -17.445 -116.512 1.00 21.89 ? 80 LEU E CA 1 ATOM 6320 C C . LEU E 3 67 ? 36.276 -17.969 -115.195 1.00 27.57 ? 80 LEU E C 1 ATOM 6321 O O . LEU E 3 67 ? 35.775 -18.961 -114.661 1.00 28.47 ? 80 LEU E O 1 ATOM 6322 C CB . LEU E 3 67 ? 34.417 -16.657 -116.260 1.00 20.61 ? 80 LEU E CB 1 ATOM 6323 C CG . LEU E 3 67 ? 34.508 -15.410 -115.371 1.00 22.90 ? 80 LEU E CG 1 ATOM 6324 C CD1 . LEU E 3 67 ? 35.468 -14.367 -115.948 1.00 22.42 ? 80 LEU E CD1 1 ATOM 6325 C CD2 . LEU E 3 67 ? 33.144 -14.821 -115.118 1.00 24.06 ? 80 LEU E CD2 1 ATOM 6326 N N . THR E 3 68 ? 37.305 -17.289 -114.669 1.00 26.27 ? 81 THR E N 1 ATOM 6327 C CA . THR E 3 68 ? 37.878 -17.578 -113.349 1.00 28.28 ? 81 THR E CA 1 ATOM 6328 C C . THR E 3 68 ? 37.802 -16.287 -112.542 1.00 34.50 ? 81 THR E C 1 ATOM 6329 O O . THR E 3 68 ? 37.327 -15.268 -113.055 1.00 33.66 ? 81 THR E O 1 ATOM 6330 C CB . THR E 3 68 ? 39.307 -18.171 -113.392 1.00 34.08 ? 81 THR E CB 1 ATOM 6331 O OG1 . THR E 3 68 ? 40.254 -17.142 -113.670 1.00 34.11 ? 81 THR E OG1 1 ATOM 6332 C CG2 . THR E 3 68 ? 39.456 -19.344 -114.355 1.00 31.93 ? 81 THR E CG2 1 ATOM 6333 N N . LYS E 3 69 ? 38.297 -16.323 -111.298 1.00 34.03 ? 82 LYS E N 1 ATOM 6334 C CA . LYS E 3 69 ? 38.322 -15.195 -110.370 1.00 34.39 ? 82 LYS E CA 1 ATOM 6335 C C . LYS E 3 69 ? 39.191 -14.016 -110.867 1.00 38.68 ? 82 LYS E C 1 ATOM 6336 O O . LYS E 3 69 ? 38.956 -12.887 -110.429 1.00 38.67 ? 82 LYS E O 1 ATOM 6337 C CB . LYS E 3 69 ? 38.828 -15.670 -108.994 1.00 39.32 ? 82 LYS E CB 1 ATOM 6338 C CG . LYS E 3 69 ? 37.876 -15.359 -107.844 1.00 57.22 ? 82 LYS E CG 1 ATOM 6339 C CD . LYS E 3 69 ? 36.739 -16.383 -107.703 1.00 67.40 ? 82 LYS E CD 1 ATOM 6340 C CE . LYS E 3 69 ? 35.730 -16.002 -106.640 1.00 76.62 ? 82 LYS E CE 1 ATOM 6341 N NZ . LYS E 3 69 ? 34.853 -14.880 -107.071 1.00 84.02 1 82 LYS E NZ 1 ATOM 6342 N N . LYS E 3 70 ? 40.163 -14.260 -111.779 1.00 34.75 ? 85 LYS E N 1 ATOM 6343 C CA . LYS E 3 70 ? 41.046 -13.197 -112.260 1.00 34.22 ? 85 LYS E CA 1 ATOM 6344 C C . LYS E 3 70 ? 41.080 -13.050 -113.803 1.00 35.78 ? 85 LYS E C 1 ATOM 6345 O O . LYS E 3 70 ? 41.525 -12.007 -114.295 1.00 35.58 ? 85 LYS E O 1 ATOM 6346 C CB . LYS E 3 70 ? 42.480 -13.391 -111.709 1.00 38.99 ? 85 LYS E CB 1 ATOM 6347 C CG . LYS E 3 70 ? 43.268 -14.584 -112.266 1.00 49.21 ? 85 LYS E CG 1 ATOM 6348 C CD . LYS E 3 70 ? 44.385 -15.055 -111.316 1.00 60.69 ? 85 LYS E CD 1 ATOM 6349 C CE . LYS E 3 70 ? 45.670 -14.251 -111.394 1.00 72.44 ? 85 LYS E CE 1 ATOM 6350 N NZ . LYS E 3 70 ? 46.763 -14.859 -110.582 1.00 79.34 1 85 LYS E NZ 1 ATOM 6351 N N . GLU E 3 71 ? 40.644 -14.075 -114.559 1.00 29.71 ? 86 GLU E N 1 ATOM 6352 C CA . GLU E 3 71 ? 40.705 -13.984 -116.017 1.00 27.45 ? 86 GLU E CA 1 ATOM 6353 C C . GLU E 3 71 ? 39.580 -14.736 -116.736 1.00 27.82 ? 86 GLU E C 1 ATOM 6354 O O . GLU E 3 71 ? 38.801 -15.452 -116.115 1.00 27.93 ? 86 GLU E O 1 ATOM 6355 C CB . GLU E 3 71 ? 42.077 -14.456 -116.558 1.00 30.17 ? 86 GLU E CB 1 ATOM 6356 C CG . GLU E 3 71 ? 42.488 -15.866 -116.184 1.00 39.73 ? 86 GLU E CG 1 ATOM 6357 C CD . GLU E 3 71 ? 43.988 -16.059 -116.128 1.00 68.49 ? 86 GLU E CD 1 ATOM 6358 O OE1 . GLU E 3 71 ? 44.498 -16.414 -115.040 1.00 65.48 ? 86 GLU E OE1 1 ATOM 6359 O OE2 . GLU E 3 71 ? 44.660 -15.826 -117.158 1.00 68.70 -1 86 GLU E OE2 1 ATOM 6360 N N . SER E 3 72 ? 39.510 -14.534 -118.059 1.00 22.53 ? 87 SER E N 1 ATOM 6361 C CA . SER E 3 72 ? 38.579 -15.167 -118.967 1.00 21.37 ? 87 SER E CA 1 ATOM 6362 C C . SER E 3 72 ? 39.287 -15.519 -120.255 1.00 24.32 ? 87 SER E C 1 ATOM 6363 O O . SER E 3 72 ? 40.066 -14.722 -120.798 1.00 23.58 ? 87 SER E O 1 ATOM 6364 C CB . SER E 3 72 ? 37.379 -14.267 -119.248 1.00 21.32 ? 87 SER E CB 1 ATOM 6365 O OG . SER E 3 72 ? 36.496 -14.843 -120.198 1.00 24.87 ? 87 SER E OG 1 ATOM 6366 N N . PHE E 3 73 ? 39.012 -16.721 -120.746 1.00 22.56 ? 88 PHE E N 1 ATOM 6367 C CA . PHE E 3 73 ? 39.605 -17.194 -121.979 1.00 22.66 ? 88 PHE E CA 1 ATOM 6368 C C . PHE E 3 73 ? 38.556 -17.374 -123.050 1.00 24.29 ? 88 PHE E C 1 ATOM 6369 O O . PHE E 3 73 ? 37.451 -17.830 -122.766 1.00 24.23 ? 88 PHE E O 1 ATOM 6370 C CB . PHE E 3 73 ? 40.354 -18.516 -121.750 1.00 25.72 ? 88 PHE E CB 1 ATOM 6371 C CG . PHE E 3 73 ? 41.606 -18.387 -120.917 1.00 28.02 ? 88 PHE E CG 1 ATOM 6372 C CD1 . PHE E 3 73 ? 42.834 -18.122 -121.513 1.00 30.90 ? 88 PHE E CD1 1 ATOM 6373 C CD2 . PHE E 3 73 ? 41.563 -18.559 -119.537 1.00 30.03 ? 88 PHE E CD2 1 ATOM 6374 C CE1 . PHE E 3 73 ? 43.993 -18.007 -120.740 1.00 33.18 ? 88 PHE E CE1 1 ATOM 6375 C CE2 . PHE E 3 73 ? 42.724 -18.451 -118.765 1.00 34.03 ? 88 PHE E CE2 1 ATOM 6376 C CZ . PHE E 3 73 ? 43.930 -18.179 -119.370 1.00 32.89 ? 88 PHE E CZ 1 ATOM 6377 N N . LEU E 3 74 ? 38.902 -17.012 -124.283 1.00 21.08 ? 89 LEU E N 1 ATOM 6378 C CA . LEU E 3 74 ? 38.061 -17.261 -125.439 1.00 20.53 ? 89 LEU E CA 1 ATOM 6379 C C . LEU E 3 74 ? 38.766 -18.283 -126.314 1.00 25.26 ? 89 LEU E C 1 ATOM 6380 O O . LEU E 3 74 ? 39.721 -17.954 -127.026 1.00 25.43 ? 89 LEU E O 1 ATOM 6381 C CB . LEU E 3 74 ? 37.688 -16.006 -126.238 1.00 18.84 ? 89 LEU E CB 1 ATOM 6382 C CG . LEU E 3 74 ? 36.655 -16.284 -127.339 1.00 21.25 ? 89 LEU E CG 1 ATOM 6383 C CD1 . LEU E 3 74 ? 35.278 -16.589 -126.751 1.00 21.33 ? 89 LEU E CD1 1 ATOM 6384 C CD2 . LEU E 3 74 ? 36.577 -15.148 -128.315 1.00 21.94 ? 89 LEU E CD2 1 ATOM 6385 N N . HIS E 3 75 ? 38.304 -19.528 -126.230 1.00 24.45 ? 90 HIS E N 1 ATOM 6386 C CA . HIS E 3 75 ? 38.848 -20.641 -126.980 1.00 26.26 ? 90 HIS E CA 1 ATOM 6387 C C . HIS E 3 75 ? 38.200 -20.724 -128.359 1.00 29.28 ? 90 HIS E C 1 ATOM 6388 O O . HIS E 3 75 ? 36.977 -20.857 -128.474 1.00 28.59 ? 90 HIS E O 1 ATOM 6389 C CB . HIS E 3 75 ? 38.646 -21.952 -126.209 1.00 28.68 ? 90 HIS E CB 1 ATOM 6390 C CG . HIS E 3 75 ? 39.196 -21.933 -124.816 1.00 32.44 ? 90 HIS E CG 1 ATOM 6391 N ND1 . HIS E 3 75 ? 40.517 -22.250 -124.559 1.00 35.82 ? 90 HIS E ND1 1 ATOM 6392 C CD2 . HIS E 3 75 ? 38.574 -21.663 -123.642 1.00 34.31 ? 90 HIS E CD2 1 ATOM 6393 C CE1 . HIS E 3 75 ? 40.660 -22.164 -123.245 1.00 35.87 ? 90 HIS E CE1 1 ATOM 6394 N NE2 . HIS E 3 75 ? 39.517 -21.822 -122.649 1.00 35.25 ? 90 HIS E NE2 1 ATOM 6395 N N . ILE E 3 76 ? 39.027 -20.614 -129.404 1.00 26.82 ? 91 ILE E N 1 ATOM 6396 C CA . ILE E 3 76 ? 38.596 -20.747 -130.793 1.00 26.62 ? 91 ILE E CA 1 ATOM 6397 C C . ILE E 3 76 ? 39.179 -22.070 -131.328 1.00 31.98 ? 91 ILE E C 1 ATOM 6398 O O . ILE E 3 76 ? 40.396 -22.209 -131.472 1.00 31.37 ? 91 ILE E O 1 ATOM 6399 C CB . ILE E 3 76 ? 38.905 -19.510 -131.679 1.00 28.57 ? 91 ILE E CB 1 ATOM 6400 C CG1 . ILE E 3 76 ? 38.441 -19.743 -133.144 1.00 29.29 ? 91 ILE E CG1 1 ATOM 6401 C CG2 . ILE E 3 76 ? 40.380 -19.051 -131.586 1.00 29.80 ? 91 ILE E CG2 1 ATOM 6402 C CD1 . ILE E 3 76 ? 37.980 -18.493 -133.893 1.00 32.15 ? 91 ILE E CD1 1 ATOM 6403 N N . THR E 3 77 ? 38.300 -23.059 -131.541 1.00 30.86 ? 92 THR E N 1 ATOM 6404 C CA . THR E 3 77 ? 38.684 -24.390 -132.016 1.00 33.38 ? 92 THR E CA 1 ATOM 6405 C C . THR E 3 77 ? 38.422 -24.484 -133.523 1.00 37.14 ? 92 THR E C 1 ATOM 6406 O O . THR E 3 77 ? 37.350 -24.095 -133.995 1.00 35.88 ? 92 THR E O 1 ATOM 6407 C CB . THR E 3 77 ? 37.995 -25.504 -131.201 1.00 45.86 ? 92 THR E CB 1 ATOM 6408 O OG1 . THR E 3 77 ? 36.586 -25.281 -131.185 1.00 51.93 ? 92 THR E OG1 1 ATOM 6409 C CG2 . THR E 3 77 ? 38.521 -25.599 -129.760 1.00 42.01 ? 92 THR E CG2 1 ATOM 6410 N N . ALA E 3 78 ? 39.441 -24.968 -134.272 1.00 34.44 ? 93 ALA E N 1 ATOM 6411 C CA . ALA E 3 78 ? 39.471 -25.122 -135.737 1.00 34.64 ? 93 ALA E CA 1 ATOM 6412 C C . ALA E 3 78 ? 38.943 -23.850 -136.465 1.00 36.33 ? 93 ALA E C 1 ATOM 6413 O O . ALA E 3 78 ? 37.934 -23.931 -137.174 1.00 36.18 ? 93 ALA E O 1 ATOM 6414 C CB . ALA E 3 78 ? 38.688 -26.362 -136.162 1.00 37.41 ? 93 ALA E CB 1 ATOM 6415 N N . PRO E 3 79 ? 39.611 -22.670 -136.301 1.00 30.92 ? 94 PRO E N 1 ATOM 6416 C CA . PRO E 3 79 ? 39.111 -21.443 -136.937 1.00 29.22 ? 94 PRO E CA 1 ATOM 6417 C C . PRO E 3 79 ? 39.099 -21.454 -138.460 1.00 34.29 ? 94 PRO E C 1 ATOM 6418 O O . PRO E 3 79 ? 39.862 -22.181 -139.105 1.00 34.61 ? 94 PRO E O 1 ATOM 6419 C CB . PRO E 3 79 ? 40.084 -20.370 -136.442 1.00 29.82 ? 94 PRO E CB 1 ATOM 6420 C CG . PRO E 3 79 ? 41.326 -21.123 -136.090 1.00 35.21 ? 94 PRO E CG 1 ATOM 6421 C CD . PRO E 3 79 ? 40.804 -22.374 -135.484 1.00 32.16 ? 94 PRO E CD 1 ATOM 6422 N N . LYS E 3 80 ? 38.239 -20.587 -139.020 1.00 30.21 ? 95 LYS E N 1 ATOM 6423 C CA . LYS E 3 80 ? 38.054 -20.381 -140.451 1.00 30.06 ? 95 LYS E CA 1 ATOM 6424 C C . LYS E 3 80 ? 38.425 -18.933 -140.797 1.00 33.21 ? 95 LYS E C 1 ATOM 6425 O O . LYS E 3 80 ? 38.489 -18.112 -139.881 1.00 31.31 ? 95 LYS E O 1 ATOM 6426 C CB . LYS E 3 80 ? 36.605 -20.706 -140.845 1.00 32.62 ? 95 LYS E CB 1 ATOM 6427 C CG . LYS E 3 80 ? 36.293 -22.196 -140.815 1.00 40.70 ? 95 LYS E CG 1 ATOM 6428 C CD . LYS E 3 80 ? 34.831 -22.461 -141.136 1.00 48.65 ? 95 LYS E CD 1 ATOM 6429 C CE . LYS E 3 80 ? 34.541 -23.931 -141.314 1.00 57.33 ? 95 LYS E CE 1 ATOM 6430 N NZ . LYS E 3 80 ? 35.084 -24.462 -142.593 1.00 64.57 1 95 LYS E NZ 1 ATOM 6431 N N . PRO E 3 81 ? 38.698 -18.573 -142.076 1.00 30.96 ? 96 PRO E N 1 ATOM 6432 C CA . PRO E 3 81 ? 39.069 -17.175 -142.379 1.00 29.53 ? 96 PRO E CA 1 ATOM 6433 C C . PRO E 3 81 ? 37.987 -16.148 -142.014 1.00 31.98 ? 96 PRO E C 1 ATOM 6434 O O . PRO E 3 81 ? 38.325 -14.988 -141.771 1.00 30.52 ? 96 PRO E O 1 ATOM 6435 C CB . PRO E 3 81 ? 39.326 -17.196 -143.889 1.00 31.84 ? 96 PRO E CB 1 ATOM 6436 C CG . PRO E 3 81 ? 39.610 -18.613 -144.214 1.00 37.37 ? 96 PRO E CG 1 ATOM 6437 C CD . PRO E 3 81 ? 38.735 -19.402 -143.298 1.00 33.69 ? 96 PRO E CD 1 ATOM 6438 N N . GLU E 3 82 ? 36.702 -16.572 -141.943 1.00 29.16 ? 97 GLU E N 1 ATOM 6439 C CA . GLU E 3 82 ? 35.556 -15.726 -141.569 1.00 28.17 ? 97 GLU E CA 1 ATOM 6440 C C . GLU E 3 82 ? 35.639 -15.289 -140.093 1.00 30.81 ? 97 GLU E C 1 ATOM 6441 O O . GLU E 3 82 ? 34.955 -14.340 -139.688 1.00 30.64 ? 97 GLU E O 1 ATOM 6442 C CB . GLU E 3 82 ? 34.214 -16.446 -141.802 1.00 30.73 ? 97 GLU E CB 1 ATOM 6443 C CG . GLU E 3 82 ? 34.035 -17.106 -143.156 1.00 45.09 ? 97 GLU E CG 1 ATOM 6444 C CD . GLU E 3 82 ? 34.390 -18.580 -143.164 1.00 69.87 ? 97 GLU E CD 1 ATOM 6445 O OE1 . GLU E 3 82 ? 35.423 -18.936 -143.775 1.00 53.63 ? 97 GLU E OE1 1 ATOM 6446 O OE2 . GLU E 3 82 ? 33.647 -19.377 -142.544 1.00 69.96 -1 97 GLU E OE2 1 ATOM 6447 N N . ASP E 3 83 ? 36.466 -15.989 -139.296 1.00 26.17 ? 98 ASP E N 1 ATOM 6448 C CA . ASP E 3 83 ? 36.658 -15.721 -137.875 1.00 24.73 ? 98 ASP E CA 1 ATOM 6449 C C . ASP E 3 83 ? 37.635 -14.568 -137.655 1.00 26.99 ? 98 ASP E C 1 ATOM 6450 O O . ASP E 3 83 ? 37.757 -14.095 -136.526 1.00 25.95 ? 98 ASP E O 1 ATOM 6451 C CB . ASP E 3 83 ? 37.118 -16.992 -137.139 1.00 27.51 ? 98 ASP E CB 1 ATOM 6452 C CG . ASP E 3 83 ? 36.122 -18.147 -137.178 1.00 40.72 ? 98 ASP E CG 1 ATOM 6453 O OD1 . ASP E 3 83 ? 34.914 -17.889 -137.393 1.00 43.32 ? 98 ASP E OD1 1 ATOM 6454 O OD2 . ASP E 3 83 ? 36.545 -19.302 -136.960 1.00 46.05 -1 98 ASP E OD2 1 ATOM 6455 N N . SER E 3 84 ? 38.289 -14.085 -138.732 1.00 23.42 ? 99 SER E N 1 ATOM 6456 C CA . SER E 3 84 ? 39.199 -12.941 -138.676 1.00 22.96 ? 99 SER E CA 1 ATOM 6457 C C . SER E 3 84 ? 38.417 -11.697 -138.274 1.00 26.67 ? 99 SER E C 1 ATOM 6458 O O . SER E 3 84 ? 37.437 -11.344 -138.938 1.00 27.58 ? 99 SER E O 1 ATOM 6459 C CB . SER E 3 84 ? 39.910 -12.723 -140.013 1.00 26.68 ? 99 SER E CB 1 ATOM 6460 O OG . SER E 3 84 ? 40.823 -13.764 -140.326 1.00 32.53 ? 99 SER E OG 1 ATOM 6461 N N . ALA E 3 85 ? 38.800 -11.094 -137.136 1.00 21.53 ? 100 ALA E N 1 ATOM 6462 C CA . ALA E 3 85 ? 38.182 -9.903 -136.541 1.00 20.21 ? 100 ALA E CA 1 ATOM 6463 C C . ALA E 3 85 ? 38.960 -9.470 -135.312 1.00 22.19 ? 100 ALA E C 1 ATOM 6464 O O . ALA E 3 85 ? 39.904 -10.159 -134.905 1.00 21.09 ? 100 ALA E O 1 ATOM 6465 C CB . ALA E 3 85 ? 36.735 -10.198 -136.145 1.00 20.91 ? 100 ALA E CB 1 ATOM 6466 N N . THR E 3 86 ? 38.551 -8.335 -134.703 1.00 17.73 ? 101 THR E N 1 ATOM 6467 C CA . THR E 3 86 ? 39.124 -7.873 -133.438 1.00 17.22 ? 101 THR E CA 1 ATOM 6468 C C . THR E 3 86 ? 38.198 -8.398 -132.351 1.00 19.36 ? 101 THR E C 1 ATOM 6469 O O . THR E 3 86 ? 36.998 -8.130 -132.387 1.00 19.27 ? 101 THR E O 1 ATOM 6470 C CB . THR E 3 86 ? 39.311 -6.350 -133.405 1.00 24.57 ? 101 THR E CB 1 ATOM 6471 O OG1 . THR E 3 86 ? 40.145 -5.962 -134.491 1.00 23.96 ? 101 THR E OG1 1 ATOM 6472 C CG2 . THR E 3 86 ? 39.917 -5.854 -132.071 1.00 20.89 ? 101 THR E CG2 1 ATOM 6473 N N . TYR E 3 87 ? 38.741 -9.143 -131.399 1.00 16.19 ? 102 TYR E N 1 ATOM 6474 C CA . TYR E 3 87 ? 37.958 -9.731 -130.323 1.00 15.91 ? 102 TYR E CA 1 ATOM 6475 C C . TYR E 3 87 ? 38.103 -8.871 -129.079 1.00 17.30 ? 102 TYR E C 1 ATOM 6476 O O . TYR E 3 87 ? 39.218 -8.636 -128.609 1.00 16.69 ? 102 TYR E O 1 ATOM 6477 C CB . TYR E 3 87 ? 38.366 -11.200 -130.093 1.00 17.68 ? 102 TYR E CB 1 ATOM 6478 C CG . TYR E 3 87 ? 37.843 -12.110 -131.185 1.00 19.59 ? 102 TYR E CG 1 ATOM 6479 C CD1 . TYR E 3 87 ? 38.509 -12.223 -132.405 1.00 21.39 ? 102 TYR E CD1 1 ATOM 6480 C CD2 . TYR E 3 87 ? 36.630 -12.778 -131.041 1.00 20.57 ? 102 TYR E CD2 1 ATOM 6481 C CE1 . TYR E 3 87 ? 37.992 -12.995 -133.443 1.00 21.71 ? 102 TYR E CE1 1 ATOM 6482 C CE2 . TYR E 3 87 ? 36.114 -13.572 -132.066 1.00 21.98 ? 102 TYR E CE2 1 ATOM 6483 C CZ . TYR E 3 87 ? 36.798 -13.674 -133.267 1.00 28.12 ? 102 TYR E CZ 1 ATOM 6484 O OH . TYR E 3 87 ? 36.303 -14.458 -134.277 1.00 30.56 ? 102 TYR E OH 1 ATOM 6485 N N . LEU E 3 88 ? 36.969 -8.342 -128.594 1.00 14.86 ? 103 LEU E N 1 ATOM 6486 C CA . LEU E 3 88 ? 36.950 -7.420 -127.466 1.00 14.68 ? 103 LEU E CA 1 ATOM 6487 C C . LEU E 3 88 ? 36.346 -8.007 -126.211 1.00 19.53 ? 103 LEU E C 1 ATOM 6488 O O . LEU E 3 88 ? 35.303 -8.658 -126.227 1.00 18.71 ? 103 LEU E O 1 ATOM 6489 C CB . LEU E 3 88 ? 36.205 -6.130 -127.813 1.00 13.95 ? 103 LEU E CB 1 ATOM 6490 C CG . LEU E 3 88 ? 36.658 -5.405 -129.072 1.00 16.56 ? 103 LEU E CG 1 ATOM 6491 C CD1 . LEU E 3 88 ? 35.544 -4.524 -129.601 1.00 16.65 ? 103 LEU E CD1 1 ATOM 6492 C CD2 . LEU E 3 88 ? 37.987 -4.651 -128.848 1.00 16.76 ? 103 LEU E CD2 1 ATOM 6493 N N . CYS E 3 89 ? 37.021 -7.726 -125.117 1.00 18.42 ? 104 CYS E N 1 ATOM 6494 C CA . CYS E 3 89 ? 36.643 -8.098 -123.778 1.00 19.20 ? 104 CYS E CA 1 ATOM 6495 C C . CYS E 3 89 ? 36.228 -6.833 -123.052 1.00 20.85 ? 104 CYS E C 1 ATOM 6496 O O . CYS E 3 89 ? 36.879 -5.797 -123.186 1.00 21.38 ? 104 CYS E O 1 ATOM 6497 C CB . CYS E 3 89 ? 37.805 -8.790 -123.076 1.00 21.85 ? 104 CYS E CB 1 ATOM 6498 S SG . CYS E 3 89 ? 37.381 -9.465 -121.460 1.00 27.25 ? 104 CYS E SG 1 ATOM 6499 N N . ALA E 3 90 ? 35.126 -6.902 -122.330 1.00 16.16 ? 105 ALA E N 1 ATOM 6500 C CA . ALA E 3 90 ? 34.598 -5.780 -121.553 1.00 15.28 ? 105 ALA E CA 1 ATOM 6501 C C . ALA E 3 90 ? 34.112 -6.298 -120.211 1.00 16.83 ? 105 ALA E C 1 ATOM 6502 O O . ALA E 3 90 ? 33.746 -7.469 -120.086 1.00 16.14 ? 105 ALA E O 1 ATOM 6503 C CB . ALA E 3 90 ? 33.480 -5.072 -122.306 1.00 15.46 ? 105 ALA E CB 1 ATOM 6504 N N . VAL E 3 91 ? 34.217 -5.467 -119.192 1.00 13.95 ? 106 VAL E N 1 ATOM 6505 C CA . VAL E 3 91 ? 33.806 -5.842 -117.843 1.00 13.33 ? 106 VAL E CA 1 ATOM 6506 C C . VAL E 3 91 ? 32.954 -4.735 -117.253 1.00 15.16 ? 106 VAL E C 1 ATOM 6507 O O . VAL E 3 91 ? 33.178 -3.559 -117.533 1.00 15.01 ? 106 VAL E O 1 ATOM 6508 C CB . VAL E 3 91 ? 34.993 -6.210 -116.878 1.00 15.55 ? 106 VAL E CB 1 ATOM 6509 C CG1 . VAL E 3 91 ? 35.709 -7.496 -117.304 1.00 15.17 ? 106 VAL E CG1 1 ATOM 6510 C CG2 . VAL E 3 91 ? 35.985 -5.056 -116.709 1.00 15.45 ? 106 VAL E CG2 1 ATOM 6511 N N . ALA E 3 92 ? 31.957 -5.112 -116.490 1.00 12.74 ? 107 ALA E N 1 ATOM 6512 C CA . ALA E 3 92 ? 31.252 -4.226 -115.618 1.00 12.56 ? 107 ALA E CA 1 ATOM 6513 C C . ALA E 3 92 ? 31.696 -4.529 -114.196 1.00 14.69 ? 107 ALA E C 1 ATOM 6514 O O . ALA E 3 92 ? 31.867 -5.633 -113.854 1.00 13.22 ? 107 ALA E O 1 ATOM 6515 C CB . ALA E 3 92 ? 29.746 -4.377 -115.774 1.00 13.06 ? 107 ALA E CB 1 ATOM 6516 N N . LEU E 3 93 ? 31.936 -3.501 -113.430 1.00 12.73 ? 108 LEU E N 1 ATOM 6517 C CA . LEU E 3 93 ? 32.531 -3.592 -112.115 1.00 12.93 ? 108 LEU E CA 1 ATOM 6518 C C . LEU E 3 93 ? 31.857 -2.803 -111.008 1.00 16.64 ? 108 LEU E C 1 ATOM 6519 O O . LEU E 3 93 ? 31.415 -1.732 -111.201 1.00 17.96 ? 108 LEU E O 1 ATOM 6520 C CB . LEU E 3 93 ? 34.004 -3.170 -112.156 1.00 13.23 ? 108 LEU E CB 1 ATOM 6521 C CG . LEU E 3 93 ? 34.911 -3.730 -113.225 1.00 16.39 ? 108 LEU E CG 1 ATOM 6522 C CD1 . LEU E 3 93 ? 36.166 -2.908 -113.384 1.00 17.13 ? 108 LEU E CD1 1 ATOM 6523 C CD2 . LEU E 3 93 ? 35.215 -5.155 -112.914 1.00 17.39 ? 108 LEU E CD2 1 ATOM 6524 N N . ASN E 3 94 ? 31.875 -3.354 -109.824 1.00 13.38 ? 109 ASN E N 1 ATOM 6525 C CA . ASN E 3 94 ? 31.408 -2.689 -108.655 1.00 13.70 ? 109 ASN E CA 1 ATOM 6526 C C . ASN E 3 94 ? 32.121 -1.354 -108.362 1.00 19.19 ? 109 ASN E C 1 ATOM 6527 O O . ASN E 3 94 ? 31.544 -0.484 -107.836 1.00 20.15 ? 109 ASN E O 1 ATOM 6528 C CB . ASN E 3 94 ? 31.508 -3.611 -107.450 1.00 14.55 ? 109 ASN E CB 1 ATOM 6529 C CG . ASN E 3 94 ? 30.566 -4.784 -107.506 1.00 29.76 ? 109 ASN E CG 1 ATOM 6530 O OD1 . ASN E 3 94 ? 29.609 -4.780 -108.202 1.00 26.69 ? 109 ASN E OD1 1 ATOM 6531 N ND2 . ASN E 3 94 ? 30.854 -5.771 -106.757 1.00 19.84 ? 109 ASN E ND2 1 ATOM 6532 N N . ASN E 3 95 ? 33.373 -1.233 -108.743 1.00 17.02 ? 110 ASN E N 1 ATOM 6533 C CA . ASN E 3 95 ? 34.239 -0.062 -108.525 1.00 18.26 ? 110 ASN E CA 1 ATOM 6534 C C . ASN E 3 95 ? 34.012 1.015 -109.574 1.00 21.43 ? 110 ASN E C 1 ATOM 6535 O O . ASN E 3 95 ? 34.475 2.148 -109.419 1.00 23.80 ? 110 ASN E O 1 ATOM 6536 C CB . ASN E 3 95 ? 35.717 -0.480 -108.531 1.00 21.15 ? 110 ASN E CB 1 ATOM 6537 C CG . ASN E 3 95 ? 36.221 -0.976 -107.201 1.00 47.61 ? 110 ASN E CG 1 ATOM 6538 O OD1 . ASN E 3 95 ? 37.121 -1.813 -107.142 1.00 43.59 ? 110 ASN E OD1 1 ATOM 6539 N ND2 . ASN E 3 95 ? 35.696 -0.439 -106.098 1.00 39.18 ? 110 ASN E ND2 1 ATOM 6540 N N . ASN E 3 96 ? 33.330 0.653 -110.659 1.00 14.85 ? 111 ASN E N 1 ATOM 6541 C CA . ASN E 3 96 ? 33.005 1.576 -111.733 1.00 14.12 ? 111 ASN E CA 1 ATOM 6542 C C . ASN E 3 96 ? 31.866 2.506 -111.280 1.00 17.46 ? 111 ASN E C 1 ATOM 6543 O O . ASN E 3 96 ? 31.060 2.106 -110.444 1.00 17.17 ? 111 ASN E O 1 ATOM 6544 C CB . ASN E 3 96 ? 32.632 0.768 -112.977 1.00 11.51 ? 111 ASN E CB 1 ATOM 6545 C CG . ASN E 3 96 ? 33.788 0.458 -113.903 1.00 25.90 ? 111 ASN E CG 1 ATOM 6546 O OD1 . ASN E 3 96 ? 34.939 0.788 -113.628 1.00 22.36 ? 111 ASN E OD1 1 ATOM 6547 N ND2 . ASN E 3 96 ? 33.501 -0.170 -115.043 1.00 20.76 ? 111 ASN E ND2 1 ATOM 6548 N N . ALA E 3 97 ? 31.835 3.759 -111.779 1.00 15.41 ? 112 ALA E N 1 ATOM 6549 C CA . ALA E 3 97 ? 30.808 4.761 -111.447 1.00 16.28 ? 112 ALA E CA 1 ATOM 6550 C C . ALA E 3 97 ? 29.480 4.520 -112.231 1.00 18.55 ? 112 ALA E C 1 ATOM 6551 O O . ALA E 3 97 ? 28.972 5.407 -112.923 1.00 19.37 ? 112 ALA E O 1 ATOM 6552 C CB . ALA E 3 97 ? 31.339 6.166 -111.706 1.00 18.40 ? 112 ALA E CB 1 ATOM 6553 N N . GLY E 3 98 ? 28.945 3.313 -112.117 1.00 14.76 ? 113 GLY E N 1 ATOM 6554 C CA . GLY E 3 98 ? 27.732 2.935 -112.825 1.00 14.65 ? 113 GLY E CA 1 ATOM 6555 C C . GLY E 3 98 ? 27.884 1.702 -113.684 1.00 16.84 ? 113 GLY E C 1 ATOM 6556 O O . GLY E 3 98 ? 28.859 0.941 -113.555 1.00 14.70 ? 113 GLY E O 1 ATOM 6557 N N . ASN E 3 99 ? 26.899 1.497 -114.575 1.00 15.87 ? 114 ASN E N 1 ATOM 6558 C CA . ASN E 3 99 ? 26.798 0.283 -115.383 1.00 14.83 ? 114 ASN E CA 1 ATOM 6559 C C . ASN E 3 99 ? 27.499 0.341 -116.761 1.00 18.92 ? 114 ASN E C 1 ATOM 6560 O O . ASN E 3 99 ? 27.192 -0.472 -117.637 1.00 18.88 ? 114 ASN E O 1 ATOM 6561 C CB . ASN E 3 99 ? 25.340 -0.086 -115.540 1.00 12.87 ? 114 ASN E CB 1 ATOM 6562 C CG . ASN E 3 99 ? 24.735 -0.537 -114.245 1.00 18.90 ? 114 ASN E CG 1 ATOM 6563 O OD1 . ASN E 3 99 ? 24.933 -1.657 -113.793 1.00 12.94 ? 114 ASN E OD1 1 ATOM 6564 N ND2 . ASN E 3 99 ? 23.972 0.315 -113.619 1.00 11.64 ? 114 ASN E ND2 1 ATOM 6565 N N . MET E 3 100 ? 28.498 1.211 -116.929 1.00 16.91 ? 115 MET E N 1 ATOM 6566 C CA . MET E 3 100 ? 29.236 1.238 -118.192 1.00 16.36 ? 115 MET E CA 1 ATOM 6567 C C . MET E 3 100 ? 30.124 0.026 -118.349 1.00 15.63 ? 115 MET E C 1 ATOM 6568 O O . MET E 3 100 ? 30.493 -0.608 -117.360 1.00 15.04 ? 115 MET E O 1 ATOM 6569 C CB . MET E 3 100 ? 30.111 2.488 -118.306 1.00 19.18 ? 115 MET E CB 1 ATOM 6570 C CG . MET E 3 100 ? 31.190 2.616 -117.249 1.00 23.45 ? 115 MET E CG 1 ATOM 6571 S SD . MET E 3 100 ? 30.484 3.454 -115.830 1.00 30.82 ? 115 MET E SD 1 ATOM 6572 C CE . MET E 3 100 ? 31.232 2.761 -114.763 1.00 27.27 ? 115 MET E CE 1 ATOM 6573 N N . LEU E 3 101 ? 30.524 -0.255 -119.585 1.00 11.75 ? 116 LEU E N 1 ATOM 6574 C CA . LEU E 3 101 ? 31.518 -1.292 -119.828 1.00 10.36 ? 116 LEU E CA 1 ATOM 6575 C C . LEU E 3 101 ? 32.906 -0.657 -119.849 1.00 13.96 ? 116 LEU E C 1 ATOM 6576 O O . LEU E 3 101 ? 33.053 0.527 -120.194 1.00 14.59 ? 116 LEU E O 1 ATOM 6577 C CB . LEU E 3 101 ? 31.271 -2.032 -121.154 1.00 9.80 ? 116 LEU E CB 1 ATOM 6578 C CG . LEU E 3 101 ? 29.943 -2.773 -121.303 1.00 11.08 ? 116 LEU E CG 1 ATOM 6579 C CD1 . LEU E 3 101 ? 29.786 -3.305 -122.711 1.00 10.56 ? 116 LEU E CD1 1 ATOM 6580 C CD2 . LEU E 3 101 ? 29.802 -3.869 -120.270 1.00 11.70 ? 116 LEU E CD2 1 ATOM 6581 N N . THR E 3 102 ? 33.918 -1.441 -119.462 1.00 11.46 ? 117 THR E N 1 ATOM 6582 C CA . THR E 3 102 ? 35.317 -1.039 -119.548 1.00 11.26 ? 117 THR E CA 1 ATOM 6583 C C . THR E 3 102 ? 35.921 -2.057 -120.481 1.00 14.84 ? 117 THR E C 1 ATOM 6584 O O . THR E 3 102 ? 35.965 -3.254 -120.156 1.00 13.99 ? 117 THR E O 1 ATOM 6585 C CB . THR E 3 102 ? 36.015 -0.927 -118.176 1.00 16.42 ? 117 THR E CB 1 ATOM 6586 O OG1 . THR E 3 102 ? 35.274 -0.053 -117.342 1.00 16.62 ? 117 THR E OG1 1 ATOM 6587 C CG2 . THR E 3 102 ? 37.446 -0.408 -118.290 1.00 12.28 ? 117 THR E CG2 1 ATOM 6588 N N . PHE E 3 103 ? 36.307 -1.603 -121.677 1.00 12.63 ? 118 PHE E N 1 ATOM 6589 C CA . PHE E 3 103 ? 36.875 -2.498 -122.673 1.00 11.92 ? 118 PHE E CA 1 ATOM 6590 C C . PHE E 3 103 ? 38.372 -2.675 -122.529 1.00 17.43 ? 118 PHE E C 1 ATOM 6591 O O . PHE E 3 103 ? 39.083 -1.768 -122.098 1.00 18.48 ? 118 PHE E O 1 ATOM 6592 C CB . PHE E 3 103 ? 36.571 -1.984 -124.077 1.00 12.65 ? 118 PHE E CB 1 ATOM 6593 C CG . PHE E 3 103 ? 35.187 -2.315 -124.562 1.00 13.30 ? 118 PHE E CG 1 ATOM 6594 C CD1 . PHE E 3 103 ? 34.124 -1.457 -124.313 1.00 14.91 ? 118 PHE E CD1 1 ATOM 6595 C CD2 . PHE E 3 103 ? 34.949 -3.472 -125.299 1.00 14.36 ? 118 PHE E CD2 1 ATOM 6596 C CE1 . PHE E 3 103 ? 32.839 -1.748 -124.787 1.00 15.72 ? 118 PHE E CE1 1 ATOM 6597 C CE2 . PHE E 3 103 ? 33.660 -3.773 -125.758 1.00 16.51 ? 118 PHE E CE2 1 ATOM 6598 C CZ . PHE E 3 103 ? 32.611 -2.907 -125.496 1.00 15.47 ? 118 PHE E CZ 1 ATOM 6599 N N . GLY E 3 104 ? 38.829 -3.859 -122.925 1.00 14.75 ? 119 GLY E N 1 ATOM 6600 C CA . GLY E 3 104 ? 40.236 -4.189 -123.071 1.00 14.94 ? 119 GLY E CA 1 ATOM 6601 C C . GLY E 3 104 ? 40.599 -3.722 -124.471 1.00 19.09 ? 119 GLY E C 1 ATOM 6602 O O . GLY E 3 104 ? 39.698 -3.405 -125.267 1.00 18.16 ? 119 GLY E O 1 ATOM 6603 N N . GLY E 3 105 ? 41.877 -3.699 -124.785 1.00 16.52 ? 120 GLY E N 1 ATOM 6604 C CA . GLY E 3 105 ? 42.337 -3.267 -126.077 1.00 16.32 ? 120 GLY E CA 1 ATOM 6605 C C . GLY E 3 105 ? 42.109 -4.130 -127.292 1.00 19.67 ? 120 GLY E C 1 ATOM 6606 O O . GLY E 3 105 ? 42.432 -3.726 -128.356 1.00 19.98 ? 120 GLY E O 1 ATOM 6607 N N . GLY E 3 106 ? 41.563 -5.302 -127.116 1.00 15.73 ? 121 GLY E N 1 ATOM 6608 C CA . GLY E 3 106 ? 41.342 -6.183 -128.221 1.00 15.82 ? 121 GLY E CA 1 ATOM 6609 C C . GLY E 3 106 ? 42.463 -7.130 -128.621 1.00 21.00 ? 121 GLY E C 1 ATOM 6610 O O . GLY E 3 106 ? 43.601 -6.948 -128.333 1.00 21.41 ? 121 GLY E O 1 ATOM 6611 N N . THR E 3 107 ? 42.071 -8.180 -129.288 1.00 17.97 ? 122 THR E N 1 ATOM 6612 C CA . THR E 3 107 ? 42.985 -9.053 -129.934 1.00 18.57 ? 122 THR E CA 1 ATOM 6613 C C . THR E 3 107 ? 42.629 -8.997 -131.400 1.00 21.81 ? 122 THR E C 1 ATOM 6614 O O . THR E 3 107 ? 41.546 -9.308 -131.772 1.00 20.03 ? 122 THR E O 1 ATOM 6615 C CB . THR E 3 107 ? 42.905 -10.488 -129.366 1.00 25.89 ? 122 THR E CB 1 ATOM 6616 O OG1 . THR E 3 107 ? 43.424 -10.523 -128.058 1.00 24.06 ? 122 THR E OG1 1 ATOM 6617 C CG2 . THR E 3 107 ? 43.703 -11.428 -130.189 1.00 24.51 ? 122 THR E CG2 1 ATOM 6618 N N . ARG E 3 108 ? 43.570 -8.585 -132.212 1.00 20.24 ? 123 ARG E N 1 ATOM 6619 C CA . ARG E 3 108 ? 43.362 -8.645 -133.619 1.00 20.24 ? 123 ARG E CA 1 ATOM 6620 C C . ARG E 3 108 ? 43.651 -10.054 -134.110 1.00 25.87 ? 123 ARG E C 1 ATOM 6621 O O . ARG E 3 108 ? 44.741 -10.524 -134.037 1.00 27.10 ? 123 ARG E O 1 ATOM 6622 C CB . ARG E 3 108 ? 44.215 -7.619 -134.321 1.00 20.59 ? 123 ARG E CB 1 ATOM 6623 C CG . ARG E 3 108 ? 43.578 -6.261 -134.391 1.00 28.64 ? 123 ARG E CG 1 ATOM 6624 C CD . ARG E 3 108 ? 44.493 -5.208 -134.956 1.00 38.83 ? 123 ARG E CD 1 ATOM 6625 N NE . ARG E 3 108 ? 45.711 -5.068 -134.193 1.00 48.67 ? 123 ARG E NE 1 ATOM 6626 C CZ . ARG E 3 108 ? 46.916 -5.150 -134.728 1.00 65.15 ? 123 ARG E CZ 1 ATOM 6627 N NH1 . ARG E 3 108 ? 47.061 -5.350 -136.023 1.00 47.64 1 123 ARG E NH1 1 ATOM 6628 N NH2 . ARG E 3 108 ? 47.979 -5.031 -133.977 1.00 56.47 ? 123 ARG E NH2 1 ATOM 6629 N N . LEU E 3 109 ? 42.677 -10.748 -134.585 1.00 21.88 ? 124 LEU E N 1 ATOM 6630 C CA . LEU E 3 109 ? 42.952 -12.042 -134.984 1.00 22.15 ? 124 LEU E CA 1 ATOM 6631 C C . LEU E 3 109 ? 42.860 -12.188 -136.473 1.00 28.03 ? 124 LEU E C 1 ATOM 6632 O O . LEU E 3 109 ? 41.949 -11.780 -137.061 1.00 25.45 ? 124 LEU E O 1 ATOM 6633 C CB . LEU E 3 109 ? 41.991 -12.958 -134.267 1.00 21.84 ? 124 LEU E CB 1 ATOM 6634 C CG . LEU E 3 109 ? 41.782 -14.374 -134.760 1.00 26.79 ? 124 LEU E CG 1 ATOM 6635 C CD1 . LEU E 3 109 ? 43.024 -15.143 -134.420 1.00 28.32 ? 124 LEU E CD1 1 ATOM 6636 C CD2 . LEU E 3 109 ? 40.585 -15.037 -134.177 1.00 26.64 ? 124 LEU E CD2 1 ATOM 6637 N N . MET E 3 110 ? 43.866 -12.785 -137.064 1.00 29.27 ? 125 MET E N 1 ATOM 6638 C CA . MET E 3 110 ? 43.865 -13.053 -138.474 1.00 30.85 ? 125 MET E CA 1 ATOM 6639 C C . MET E 3 110 ? 44.018 -14.552 -138.707 1.00 33.93 ? 125 MET E C 1 ATOM 6640 O O . MET E 3 110 ? 44.880 -15.126 -138.188 1.00 33.98 ? 125 MET E O 1 ATOM 6641 C CB . MET E 3 110 ? 44.988 -12.312 -139.152 1.00 34.59 ? 125 MET E CB 1 ATOM 6642 C CG . MET E 3 110 ? 44.937 -12.469 -140.644 1.00 40.09 ? 125 MET E CG 1 ATOM 6643 S SD . MET E 3 110 ? 46.495 -12.470 -141.521 1.00 47.13 ? 125 MET E SD 1 ATOM 6644 C CE . MET E 3 110 ? 47.325 -11.042 -140.848 1.00 44.02 ? 125 MET E CE 1 ATOM 6645 N N . VAL E 3 111 ? 43.155 -15.153 -139.488 1.00 30.10 ? 126 VAL E N 1 ATOM 6646 C CA . VAL E 3 111 ? 43.250 -16.545 -139.822 1.00 30.88 ? 126 VAL E CA 1 ATOM 6647 C C . VAL E 3 111 ? 43.484 -16.618 -141.301 1.00 34.92 ? 126 VAL E C 1 ATOM 6648 O O . VAL E 3 111 ? 42.612 -16.386 -142.058 1.00 33.04 ? 126 VAL E O 1 ATOM 6649 C CB . VAL E 3 111 ? 41.964 -17.274 -139.504 1.00 34.63 ? 126 VAL E CB 1 ATOM 6650 C CG1 . VAL E 3 111 ? 42.138 -18.767 -139.642 1.00 36.00 ? 126 VAL E CG1 1 ATOM 6651 C CG2 . VAL E 3 111 ? 41.511 -16.923 -138.124 1.00 33.82 ? 126 VAL E CG2 1 ATOM 6652 N N . LYS E 3 112 ? 44.686 -16.993 -141.695 1.00 34.14 ? 127 LYS E N 1 ATOM 6653 C CA . LYS E 3 112 ? 45.052 -17.059 -143.113 1.00 34.78 ? 127 LYS E CA 1 ATOM 6654 C C . LYS E 3 112 ? 44.615 -18.404 -143.731 1.00 39.75 ? 127 LYS E C 1 ATOM 6655 O O . LYS E 3 112 ? 44.856 -19.465 -143.147 1.00 40.54 ? 127 LYS E O 1 ATOM 6656 C CB . LYS E 3 112 ? 46.540 -16.737 -143.388 1.00 38.23 ? 127 LYS E CB 1 ATOM 6657 C CG . LYS E 3 112 ? 47.582 -17.415 -142.502 1.00 59.68 ? 127 LYS E CG 1 ATOM 6658 C CD . LYS E 3 112 ? 48.916 -16.670 -142.610 1.00 69.94 ? 127 LYS E CD 1 ATOM 6659 C CE . LYS E 3 112 ? 50.080 -17.422 -142.008 1.00 82.71 ? 127 LYS E CE 1 ATOM 6660 N NZ . LYS E 3 112 ? 50.574 -18.500 -142.906 1.00 92.12 1 127 LYS E NZ 1 ATOM 6661 N N . PRO E 3 113 ? 43.909 -18.348 -144.889 1.00 36.52 ? 128 PRO E N 1 ATOM 6662 C CA . PRO E 3 113 ? 43.393 -19.588 -145.503 1.00 37.97 ? 128 PRO E CA 1 ATOM 6663 C C . PRO E 3 113 ? 44.472 -20.490 -146.101 1.00 44.49 ? 128 PRO E C 1 ATOM 6664 O O . PRO E 3 113 ? 45.599 -20.048 -146.341 1.00 44.30 ? 128 PRO E O 1 ATOM 6665 C CB . PRO E 3 113 ? 42.456 -19.075 -146.598 1.00 39.05 ? 128 PRO E CB 1 ATOM 6666 C CG . PRO E 3 113 ? 42.966 -17.728 -146.934 1.00 42.22 ? 128 PRO E CG 1 ATOM 6667 C CD . PRO E 3 113 ? 43.517 -17.155 -145.670 1.00 36.78 ? 128 PRO E CD 1 ATOM 6668 N N . HIS E 3 114 ? 44.117 -21.765 -146.337 1.00 43.24 ? 129 HIS E N 1 ATOM 6669 C CA . HIS E 3 114 ? 45.037 -22.722 -146.930 1.00 45.24 ? 129 HIS E CA 1 ATOM 6670 C C . HIS E 3 114 ? 44.936 -22.675 -148.452 1.00 49.01 ? 129 HIS E C 1 ATOM 6671 O O . HIS E 3 114 ? 43.847 -22.864 -149.005 1.00 48.65 ? 129 HIS E O 1 ATOM 6672 C CB . HIS E 3 114 ? 44.787 -24.150 -146.407 1.00 48.25 ? 129 HIS E CB 1 ATOM 6673 C CG . HIS E 3 114 ? 45.725 -25.156 -147.002 1.00 54.05 ? 129 HIS E CG 1 ATOM 6674 N ND1 . HIS E 3 114 ? 45.289 -26.093 -147.924 1.00 57.65 ? 129 HIS E ND1 1 ATOM 6675 C CD2 . HIS E 3 114 ? 47.064 -25.290 -146.841 1.00 56.63 ? 129 HIS E CD2 1 ATOM 6676 C CE1 . HIS E 3 114 ? 46.365 -26.779 -148.271 1.00 58.87 ? 129 HIS E CE1 1 ATOM 6677 N NE2 . HIS E 3 114 ? 47.456 -26.333 -147.643 1.00 58.71 ? 129 HIS E NE2 1 ATOM 6678 N N . ILE E 3 115 ? 46.070 -22.414 -149.126 1.00 45.64 ? 130 ILE E N 1 ATOM 6679 C CA . ILE E 3 115 ? 46.119 -22.398 -150.591 1.00 45.78 ? 130 ILE E CA 1 ATOM 6680 C C . ILE E 3 115 ? 46.531 -23.812 -151.010 1.00 52.11 ? 130 ILE E C 1 ATOM 6681 O O . ILE E 3 115 ? 47.695 -24.197 -150.859 1.00 52.85 ? 130 ILE E O 1 ATOM 6682 C CB . ILE E 3 115 ? 47.023 -21.263 -151.170 1.00 47.57 ? 130 ILE E CB 1 ATOM 6683 C CG1 . ILE E 3 115 ? 46.656 -19.853 -150.588 1.00 45.74 ? 130 ILE E CG1 1 ATOM 6684 C CG2 . ILE E 3 115 ? 47.039 -21.270 -152.714 1.00 48.48 ? 130 ILE E CG2 1 ATOM 6685 C CD1 . ILE E 3 115 ? 45.164 -19.272 -150.818 1.00 49.30 ? 130 ILE E CD1 1 ATOM 6686 N N . GLN E 3 116 ? 45.538 -24.604 -151.453 1.00 50.06 ? 131 GLN E N 1 ATOM 6687 C CA . GLN E 3 116 ? 45.691 -26.007 -151.832 1.00 52.87 ? 131 GLN E CA 1 ATOM 6688 C C . GLN E 3 116 ? 46.617 -26.198 -153.049 1.00 57.57 ? 131 GLN E C 1 ATOM 6689 O O . GLN E 3 116 ? 47.450 -27.114 -153.042 1.00 59.15 ? 131 GLN E O 1 ATOM 6690 C CB . GLN E 3 116 ? 44.310 -26.646 -152.099 1.00 55.45 ? 131 GLN E CB 1 ATOM 6691 C CG . GLN E 3 116 ? 44.310 -28.183 -152.106 1.00 79.14 ? 131 GLN E CG 1 ATOM 6692 C CD . GLN E 3 116 ? 44.634 -28.777 -150.753 1.00 103.20 ? 131 GLN E CD 1 ATOM 6693 O OE1 . GLN E 3 116 ? 43.794 -28.818 -149.848 1.00 99.68 ? 131 GLN E OE1 1 ATOM 6694 N NE2 . GLN E 3 116 ? 45.864 -29.246 -150.585 1.00 97.46 ? 131 GLN E NE2 1 ATOM 6695 N N . ASN E 3 117 ? 46.469 -25.348 -154.080 1.00 52.60 ? 132 ASN E N 1 ATOM 6696 C CA . ASN E 3 117 ? 47.273 -25.444 -155.295 1.00 53.46 ? 132 ASN E CA 1 ATOM 6697 C C . ASN E 3 117 ? 47.895 -24.074 -155.649 1.00 53.83 ? 132 ASN E C 1 ATOM 6698 O O . ASN E 3 117 ? 47.336 -23.341 -156.468 1.00 52.00 ? 132 ASN E O 1 ATOM 6699 C CB . ASN E 3 117 ? 46.430 -26.013 -156.451 1.00 56.87 ? 132 ASN E CB 1 ATOM 6700 C CG . ASN E 3 117 ? 45.944 -27.428 -156.207 1.00 79.51 ? 132 ASN E CG 1 ATOM 6701 O OD1 . ASN E 3 117 ? 44.745 -27.681 -156.020 1.00 74.19 ? 132 ASN E OD1 1 ATOM 6702 N ND2 . ASN E 3 117 ? 46.871 -28.378 -156.175 1.00 70.88 ? 132 ASN E ND2 1 ATOM 6703 N N . PRO E 3 118 ? 49.052 -23.709 -155.037 1.00 49.25 ? 133 PRO E N 1 ATOM 6704 C CA . PRO E 3 118 ? 49.661 -22.407 -155.348 1.00 46.85 ? 133 PRO E CA 1 ATOM 6705 C C . PRO E 3 118 ? 50.290 -22.389 -156.736 1.00 51.33 ? 133 PRO E C 1 ATOM 6706 O O . PRO E 3 118 ? 51.011 -23.311 -157.124 1.00 52.73 ? 133 PRO E O 1 ATOM 6707 C CB . PRO E 3 118 ? 50.717 -22.216 -154.248 1.00 48.43 ? 133 PRO E CB 1 ATOM 6708 C CG . PRO E 3 118 ? 50.525 -23.343 -153.288 1.00 54.28 ? 133 PRO E CG 1 ATOM 6709 C CD . PRO E 3 118 ? 49.857 -24.442 -154.043 1.00 51.76 ? 133 PRO E CD 1 ATOM 6710 N N . ASP E 3 119 ? 49.990 -21.329 -157.482 1.00 46.89 ? 134 ASP E N 1 ATOM 6711 C CA . ASP E 3 119 ? 50.474 -21.076 -158.838 1.00 47.31 ? 134 ASP E CA 1 ATOM 6712 C C . ASP E 3 119 ? 50.943 -19.600 -158.921 1.00 48.58 ? 134 ASP E C 1 ATOM 6713 O O . ASP E 3 119 ? 50.306 -18.823 -159.637 1.00 47.63 ? 134 ASP E O 1 ATOM 6714 C CB . ASP E 3 119 ? 49.323 -21.375 -159.823 1.00 50.04 ? 134 ASP E CB 1 ATOM 6715 C CG . ASP E 3 119 ? 49.694 -21.729 -161.251 1.00 64.42 ? 134 ASP E CG 1 ATOM 6716 O OD1 . ASP E 3 119 ? 50.909 -21.852 -161.544 1.00 66.80 ? 134 ASP E OD1 1 ATOM 6717 O OD2 . ASP E 3 119 ? 48.769 -21.931 -162.065 1.00 70.85 -1 134 ASP E OD2 1 ATOM 6718 N N . PRO E 3 120 ? 52.006 -19.175 -158.164 1.00 43.90 ? 135 PRO E N 1 ATOM 6719 C CA . PRO E 3 120 ? 52.416 -17.751 -158.194 1.00 41.69 ? 135 PRO E CA 1 ATOM 6720 C C . PRO E 3 120 ? 52.765 -17.260 -159.599 1.00 43.15 ? 135 PRO E C 1 ATOM 6721 O O . PRO E 3 120 ? 53.537 -17.914 -160.314 1.00 43.88 ? 135 PRO E O 1 ATOM 6722 C CB . PRO E 3 120 ? 53.635 -17.699 -157.259 1.00 44.09 ? 135 PRO E CB 1 ATOM 6723 C CG . PRO E 3 120 ? 54.114 -19.115 -157.162 1.00 50.59 ? 135 PRO E CG 1 ATOM 6724 C CD . PRO E 3 120 ? 52.871 -19.948 -157.245 1.00 46.38 ? 135 PRO E CD 1 ATOM 6725 N N . ALA E 3 121 ? 52.135 -16.132 -160.009 1.00 36.36 ? 136 ALA E N 1 ATOM 6726 C CA . ALA E 3 121 ? 52.306 -15.541 -161.332 1.00 35.88 ? 136 ALA E CA 1 ATOM 6727 C C . ALA E 3 121 ? 51.934 -14.064 -161.346 1.00 37.12 ? 136 ALA E C 1 ATOM 6728 O O . ALA E 3 121 ? 50.984 -13.651 -160.670 1.00 36.53 ? 136 ALA E O 1 ATOM 6729 C CB . ALA E 3 121 ? 51.456 -16.292 -162.350 1.00 37.58 ? 136 ALA E CB 1 ATOM 6730 N N . VAL E 3 122 ? 52.662 -13.277 -162.149 1.00 31.82 ? 137 VAL E N 1 ATOM 6731 C CA . VAL E 3 122 ? 52.411 -11.852 -162.298 1.00 30.26 ? 137 VAL E CA 1 ATOM 6732 C C . VAL E 3 122 ? 51.849 -11.593 -163.700 1.00 33.43 ? 137 VAL E C 1 ATOM 6733 O O . VAL E 3 122 ? 52.464 -11.944 -164.711 1.00 33.50 ? 137 VAL E O 1 ATOM 6734 C CB . VAL E 3 122 ? 53.642 -10.969 -161.973 1.00 34.41 ? 137 VAL E CB 1 ATOM 6735 C CG1 . VAL E 3 122 ? 53.264 -9.490 -162.009 1.00 33.72 ? 137 VAL E CG1 1 ATOM 6736 C CG2 . VAL E 3 122 ? 54.218 -11.324 -160.600 1.00 34.04 ? 137 VAL E CG2 1 ATOM 6737 N N . TYR E 3 123 ? 50.659 -10.988 -163.742 1.00 29.26 ? 138 TYR E N 1 ATOM 6738 C CA . TYR E 3 123 ? 49.957 -10.675 -164.984 1.00 29.25 ? 138 TYR E CA 1 ATOM 6739 C C . TYR E 3 123 ? 49.750 -9.177 -165.157 1.00 33.11 ? 138 TYR E C 1 ATOM 6740 O O . TYR E 3 123 ? 49.559 -8.455 -164.177 1.00 30.71 ? 138 TYR E O 1 ATOM 6741 C CB . TYR E 3 123 ? 48.583 -11.368 -165.014 1.00 29.99 ? 138 TYR E CB 1 ATOM 6742 C CG . TYR E 3 123 ? 48.607 -12.865 -164.801 1.00 31.81 ? 138 TYR E CG 1 ATOM 6743 C CD1 . TYR E 3 123 ? 49.000 -13.728 -165.822 1.00 35.18 ? 138 TYR E CD1 1 ATOM 6744 C CD2 . TYR E 3 123 ? 48.182 -13.424 -163.600 1.00 31.58 ? 138 TYR E CD2 1 ATOM 6745 C CE1 . TYR E 3 123 ? 49.008 -15.109 -165.637 1.00 36.79 ? 138 TYR E CE1 1 ATOM 6746 C CE2 . TYR E 3 123 ? 48.177 -14.805 -163.407 1.00 33.27 ? 138 TYR E CE2 1 ATOM 6747 C CZ . TYR E 3 123 ? 48.574 -15.643 -164.435 1.00 41.97 ? 138 TYR E CZ 1 ATOM 6748 O OH . TYR E 3 123 ? 48.560 -17.001 -164.250 1.00 44.19 ? 138 TYR E OH 1 ATOM 6749 N N . GLN E 3 124 ? 49.762 -8.716 -166.406 1.00 32.37 ? 139 GLN E N 1 ATOM 6750 C CA . GLN E 3 124 ? 49.486 -7.319 -166.703 1.00 33.18 ? 139 GLN E CA 1 ATOM 6751 C C . GLN E 3 124 ? 48.052 -7.217 -167.181 1.00 39.96 ? 139 GLN E C 1 ATOM 6752 O O . GLN E 3 124 ? 47.644 -7.942 -168.090 1.00 40.77 ? 139 GLN E O 1 ATOM 6753 C CB . GLN E 3 124 ? 50.463 -6.729 -167.730 1.00 35.31 ? 139 GLN E CB 1 ATOM 6754 C CG . GLN E 3 124 ? 50.399 -5.204 -167.757 1.00 54.11 ? 139 GLN E CG 1 ATOM 6755 C CD . GLN E 3 124 ? 51.508 -4.597 -168.567 1.00 80.14 ? 139 GLN E CD 1 ATOM 6756 O OE1 . GLN E 3 124 ? 52.545 -4.187 -168.033 1.00 75.56 ? 139 GLN E OE1 1 ATOM 6757 N NE2 . GLN E 3 124 ? 51.307 -4.508 -169.875 1.00 76.31 ? 139 GLN E NE2 1 ATOM 6758 N N . LEU E 3 125 ? 47.284 -6.331 -166.568 1.00 37.69 ? 140 LEU E N 1 ATOM 6759 C CA . LEU E 3 125 ? 45.897 -6.157 -166.958 1.00 39.17 ? 140 LEU E CA 1 ATOM 6760 C C . LEU E 3 125 ? 45.811 -5.202 -168.126 1.00 48.63 ? 140 LEU E C 1 ATOM 6761 O O . LEU E 3 125 ? 46.769 -4.469 -168.385 1.00 48.15 ? 140 LEU E O 1 ATOM 6762 C CB . LEU E 3 125 ? 45.065 -5.677 -165.771 1.00 38.24 ? 140 LEU E CB 1 ATOM 6763 C CG . LEU E 3 125 ? 44.645 -6.793 -164.821 1.00 41.98 ? 140 LEU E CG 1 ATOM 6764 C CD1 . LEU E 3 125 ? 45.650 -6.974 -163.707 1.00 41.10 ? 140 LEU E CD1 1 ATOM 6765 C CD2 . LEU E 3 125 ? 43.295 -6.524 -164.243 1.00 43.73 ? 140 LEU E CD2 1 ATOM 6766 N N . ARG E 3 126 ? 44.698 -5.261 -168.881 1.00 50.10 ? 141 ARG E N 1 ATOM 6767 C CA . ARG E 3 126 ? 44.464 -4.380 -170.030 1.00 52.73 ? 141 ARG E CA 1 ATOM 6768 C C . ARG E 3 126 ? 44.310 -2.945 -169.517 1.00 59.25 ? 141 ARG E C 1 ATOM 6769 O O . ARG E 3 126 ? 43.507 -2.695 -168.608 1.00 57.88 ? 141 ARG E O 1 ATOM 6770 C CB . ARG E 3 126 ? 43.233 -4.828 -170.849 1.00 55.34 ? 141 ARG E CB 1 ATOM 6771 C CG . ARG E 3 126 ? 43.404 -6.169 -171.557 1.00 69.48 ? 141 ARG E CG 1 ATOM 6772 C CD . ARG E 3 126 ? 42.139 -6.623 -172.265 1.00 83.64 ? 141 ARG E CD 1 ATOM 6773 N NE . ARG E 3 126 ? 42.099 -6.188 -173.663 1.00 97.16 ? 141 ARG E NE 1 ATOM 6774 C CZ . ARG E 3 126 ? 41.465 -5.103 -174.101 1.00 115.12 ? 141 ARG E CZ 1 ATOM 6775 N NH1 . ARG E 3 126 ? 41.487 -4.789 -175.389 1.00 105.89 ? 141 ARG E NH1 1 ATOM 6776 N NH2 . ARG E 3 126 ? 40.803 -4.323 -173.254 1.00 101.63 ? 141 ARG E NH2 1 ATOM 6777 N N . ASP E 3 127 ? 45.130 -2.024 -170.054 1.00 59.21 ? 142 ASP E N 1 ATOM 6778 C CA . ASP E 3 127 ? 45.137 -0.620 -169.644 1.00 60.88 ? 142 ASP E CA 1 ATOM 6779 C C . ASP E 3 127 ? 43.780 0.040 -169.893 1.00 67.79 ? 142 ASP E C 1 ATOM 6780 O O . ASP E 3 127 ? 43.203 -0.112 -170.978 1.00 69.19 ? 142 ASP E O 1 ATOM 6781 C CB . ASP E 3 127 ? 46.249 0.165 -170.363 1.00 63.97 ? 142 ASP E CB 1 ATOM 6782 C CG . ASP E 3 127 ? 46.787 1.334 -169.555 1.00 79.19 ? 142 ASP E CG 1 ATOM 6783 O OD1 . ASP E 3 127 ? 46.043 2.332 -169.375 1.00 81.06 -1 142 ASP E OD1 1 ATOM 6784 O OD2 . ASP E 3 127 ? 47.952 1.256 -169.105 1.00 86.38 ? 142 ASP E OD2 1 ATOM 6785 N N . SER E 3 128 ? 43.261 0.743 -168.865 1.00 64.55 ? 143 SER E N 1 ATOM 6786 C CA . SER E 3 128 ? 41.992 1.452 -168.955 1.00 66.07 ? 143 SER E CA 1 ATOM 6787 C C . SER E 3 128 ? 42.140 2.674 -169.867 1.00 72.46 ? 143 SER E C 1 ATOM 6788 O O . SER E 3 128 ? 43.056 3.488 -169.712 1.00 71.86 ? 143 SER E O 1 ATOM 6789 C CB . SER E 3 128 ? 41.483 1.854 -167.574 1.00 68.71 ? 143 SER E CB 1 ATOM 6790 O OG . SER E 3 128 ? 40.185 2.422 -167.643 1.00 77.94 ? 143 SER E OG 1 ATOM 6791 N N . LYS E 3 129 ? 41.240 2.750 -170.846 1.00 71.44 ? 144 LYS E N 1 ATOM 6792 C CA . LYS E 3 129 ? 41.095 3.783 -171.873 1.00 73.68 ? 144 LYS E CA 1 ATOM 6793 C C . LYS E 3 129 ? 40.955 5.199 -171.279 1.00 79.00 ? 144 LYS E C 1 ATOM 6794 O O . LYS E 3 129 ? 41.369 6.166 -171.919 1.00 80.19 ? 144 LYS E O 1 ATOM 6795 C CB . LYS E 3 129 ? 39.869 3.462 -172.761 1.00 78.24 ? 144 LYS E CB 1 ATOM 6796 C CG . LYS E 3 129 ? 38.604 2.995 -172.004 1.00 92.13 ? 144 LYS E CG 1 ATOM 6797 C CD . LYS E 3 129 ? 38.488 1.459 -171.891 1.00 98.03 ? 144 LYS E CD 1 ATOM 6798 C CE . LYS E 3 129 ? 38.307 1.000 -170.462 1.00 102.55 ? 144 LYS E CE 1 ATOM 6799 N NZ . LYS E 3 129 ? 38.485 -0.470 -170.320 1.00 108.42 ? 144 LYS E NZ 1 ATOM 6800 N N . SER E 3 130 ? 40.380 5.309 -170.062 1.00 75.02 ? 145 SER E N 1 ATOM 6801 C CA . SER E 3 130 ? 40.143 6.576 -169.370 1.00 75.75 ? 145 SER E CA 1 ATOM 6802 C C . SER E 3 130 ? 41.017 6.750 -168.101 1.00 77.03 ? 145 SER E C 1 ATOM 6803 O O . SER E 3 130 ? 40.659 7.549 -167.228 1.00 76.69 ? 145 SER E O 1 ATOM 6804 C CB . SER E 3 130 ? 38.664 6.689 -169.006 1.00 80.92 ? 145 SER E CB 1 ATOM 6805 O OG . SER E 3 130 ? 38.265 5.627 -168.153 1.00 88.14 ? 145 SER E OG 1 ATOM 6806 N N . SER E 3 131 ? 42.178 6.052 -168.016 1.00 71.76 ? 146 SER E N 1 ATOM 6807 C CA . SER E 3 131 ? 43.063 6.146 -166.844 1.00 69.88 ? 146 SER E CA 1 ATOM 6808 C C . SER E 3 131 ? 44.522 6.510 -167.181 1.00 73.20 ? 146 SER E C 1 ATOM 6809 O O . SER E 3 131 ? 45.080 7.395 -166.523 1.00 73.29 ? 146 SER E O 1 ATOM 6810 C CB . SER E 3 131 ? 43.047 4.843 -166.050 1.00 70.62 ? 146 SER E CB 1 ATOM 6811 O OG . SER E 3 131 ? 43.874 4.928 -164.902 1.00 76.14 ? 146 SER E OG 1 ATOM 6812 N N . ASP E 3 132 ? 45.148 5.794 -168.150 1.00 68.51 ? 147 ASP E N 1 ATOM 6813 C CA . ASP E 3 132 ? 46.558 5.927 -168.569 1.00 67.80 ? 147 ASP E CA 1 ATOM 6814 C C . ASP E 3 132 ? 47.527 5.293 -167.522 1.00 68.11 ? 147 ASP E C 1 ATOM 6815 O O . ASP E 3 132 ? 48.748 5.320 -167.719 1.00 67.94 ? 147 ASP E O 1 ATOM 6816 C CB . ASP E 3 132 ? 46.957 7.384 -168.892 1.00 71.48 ? 147 ASP E CB 1 ATOM 6817 N N . LYS E 3 133 ? 46.977 4.698 -166.440 1.00 61.39 ? 148 LYS E N 1 ATOM 6818 C CA . LYS E 3 133 ? 47.735 3.964 -165.417 1.00 58.73 ? 148 LYS E CA 1 ATOM 6819 C C . LYS E 3 133 ? 47.825 2.503 -165.849 1.00 59.87 ? 148 LYS E C 1 ATOM 6820 O O . LYS E 3 133 ? 46.855 1.982 -166.408 1.00 59.61 ? 148 LYS E O 1 ATOM 6821 C CB . LYS E 3 133 ? 47.068 4.062 -164.028 1.00 59.93 ? 148 LYS E CB 1 ATOM 6822 C CG . LYS E 3 133 ? 47.038 5.448 -163.398 1.00 71.30 ? 148 LYS E CG 1 ATOM 6823 C CD . LYS E 3 133 ? 46.341 5.399 -162.036 1.00 77.40 ? 148 LYS E CD 1 ATOM 6824 C CE . LYS E 3 133 ? 45.830 6.744 -161.564 1.00 84.80 ? 148 LYS E CE 1 ATOM 6825 N NZ . LYS E 3 133 ? 44.571 7.142 -162.253 1.00 91.26 1 148 LYS E NZ 1 ATOM 6826 N N . SER E 3 134 ? 48.971 1.846 -165.617 1.00 54.07 ? 149 SER E N 1 ATOM 6827 C CA . SER E 3 134 ? 49.148 0.431 -165.969 1.00 52.47 ? 149 SER E CA 1 ATOM 6828 C C . SER E 3 134 ? 49.067 -0.419 -164.702 1.00 52.07 ? 149 SER E C 1 ATOM 6829 O O . SER E 3 134 ? 49.694 -0.065 -163.705 1.00 50.68 ? 149 SER E O 1 ATOM 6830 C CB . SER E 3 134 ? 50.470 0.205 -166.698 1.00 57.33 ? 149 SER E CB 1 ATOM 6831 O OG . SER E 3 134 ? 50.590 1.030 -167.846 1.00 70.68 ? 149 SER E OG 1 ATOM 6832 N N . VAL E 3 135 ? 48.288 -1.519 -164.728 1.00 46.30 ? 150 VAL E N 1 ATOM 6833 C CA . VAL E 3 135 ? 48.092 -2.370 -163.547 1.00 44.24 ? 150 VAL E CA 1 ATOM 6834 C C . VAL E 3 135 ? 48.711 -3.774 -163.743 1.00 47.46 ? 150 VAL E C 1 ATOM 6835 O O . VAL E 3 135 ? 48.518 -4.418 -164.774 1.00 47.43 ? 150 VAL E O 1 ATOM 6836 C CB . VAL E 3 135 ? 46.584 -2.436 -163.142 1.00 47.52 ? 150 VAL E CB 1 ATOM 6837 C CG1 . VAL E 3 135 ? 46.309 -3.521 -162.102 1.00 46.25 ? 150 VAL E CG1 1 ATOM 6838 C CG2 . VAL E 3 135 ? 46.102 -1.084 -162.627 1.00 47.49 ? 150 VAL E CG2 1 ATOM 6839 N N . CYS E 3 136 ? 49.462 -4.213 -162.715 1.00 43.80 ? 151 CYS E N 1 ATOM 6840 C CA . CYS E 3 136 ? 50.113 -5.513 -162.574 1.00 43.86 ? 151 CYS E CA 1 ATOM 6841 C C . CYS E 3 136 ? 49.487 -6.256 -161.404 1.00 42.49 ? 151 CYS E C 1 ATOM 6842 O O . CYS E 3 136 ? 49.272 -5.668 -160.341 1.00 40.64 ? 151 CYS E O 1 ATOM 6843 C CB . CYS E 3 136 ? 51.619 -5.358 -162.382 1.00 45.95 ? 151 CYS E CB 1 ATOM 6844 S SG . CYS E 3 136 ? 52.478 -4.665 -163.815 1.00 51.92 ? 151 CYS E SG 1 ATOM 6845 N N . LEU E 3 137 ? 49.219 -7.552 -161.592 1.00 36.58 ? 152 LEU E N 1 ATOM 6846 C CA . LEU E 3 137 ? 48.629 -8.393 -160.567 1.00 34.65 ? 152 LEU E CA 1 ATOM 6847 C C . LEU E 3 137 ? 49.505 -9.593 -160.268 1.00 36.71 ? 152 LEU E C 1 ATOM 6848 O O . LEU E 3 137 ? 49.744 -10.417 -161.148 1.00 37.96 ? 152 LEU E O 1 ATOM 6849 C CB . LEU E 3 137 ? 47.223 -8.855 -160.999 1.00 35.00 ? 152 LEU E CB 1 ATOM 6850 C CG . LEU E 3 137 ? 46.481 -9.863 -160.106 1.00 39.21 ? 152 LEU E CG 1 ATOM 6851 C CD1 . LEU E 3 137 ? 45.780 -9.167 -158.960 1.00 38.25 ? 152 LEU E CD1 1 ATOM 6852 C CD2 . LEU E 3 137 ? 45.475 -10.652 -160.916 1.00 41.79 ? 152 LEU E CD2 1 ATOM 6853 N N . PHE E 3 138 ? 49.957 -9.697 -159.012 1.00 30.45 ? 153 PHE E N 1 ATOM 6854 C CA . PHE E 3 138 ? 50.691 -10.845 -158.493 1.00 29.51 ? 153 PHE E CA 1 ATOM 6855 C C . PHE E 3 138 ? 49.624 -11.697 -157.834 1.00 31.99 ? 153 PHE E C 1 ATOM 6856 O O . PHE E 3 138 ? 48.903 -11.183 -156.979 1.00 29.95 ? 153 PHE E O 1 ATOM 6857 C CB . PHE E 3 138 ? 51.813 -10.393 -157.534 1.00 30.51 ? 153 PHE E CB 1 ATOM 6858 C CG . PHE E 3 138 ? 52.526 -11.460 -156.733 1.00 31.86 ? 153 PHE E CG 1 ATOM 6859 C CD1 . PHE E 3 138 ? 52.969 -12.632 -157.337 1.00 35.37 ? 153 PHE E CD1 1 ATOM 6860 C CD2 . PHE E 3 138 ? 52.810 -11.263 -155.386 1.00 32.98 ? 153 PHE E CD2 1 ATOM 6861 C CE1 . PHE E 3 138 ? 53.636 -13.609 -156.596 1.00 36.86 ? 153 PHE E CE1 1 ATOM 6862 C CE2 . PHE E 3 138 ? 53.490 -12.235 -154.649 1.00 36.24 ? 153 PHE E CE2 1 ATOM 6863 C CZ . PHE E 3 138 ? 53.895 -13.405 -155.257 1.00 35.49 ? 153 PHE E CZ 1 ATOM 6864 N N . THR E 3 139 ? 49.407 -12.937 -158.313 1.00 29.23 ? 154 THR E N 1 ATOM 6865 C CA . THR E 3 139 ? 48.306 -13.732 -157.770 1.00 28.93 ? 154 THR E CA 1 ATOM 6866 C C . THR E 3 139 ? 48.629 -15.225 -157.663 1.00 35.77 ? 154 THR E C 1 ATOM 6867 O O . THR E 3 139 ? 49.609 -15.707 -158.237 1.00 36.90 ? 154 THR E O 1 ATOM 6868 C CB . THR E 3 139 ? 47.018 -13.507 -158.605 1.00 33.01 ? 154 THR E CB 1 ATOM 6869 O OG1 . THR E 3 139 ? 45.898 -14.086 -157.934 1.00 30.04 ? 154 THR E OG1 1 ATOM 6870 C CG2 . THR E 3 139 ? 47.113 -14.055 -160.018 1.00 33.28 ? 154 THR E CG2 1 ATOM 6871 N N . ASP E 3 140 ? 47.760 -15.943 -156.921 1.00 33.42 ? 155 ASP E N 1 ATOM 6872 C CA . ASP E 3 140 ? 47.744 -17.389 -156.688 1.00 34.97 ? 155 ASP E CA 1 ATOM 6873 C C . ASP E 3 140 ? 48.966 -17.888 -155.896 1.00 41.09 ? 155 ASP E C 1 ATOM 6874 O O . ASP E 3 140 ? 49.305 -19.068 -155.966 1.00 42.90 ? 155 ASP E O 1 ATOM 6875 C CB . ASP E 3 140 ? 47.570 -18.160 -158.012 1.00 38.20 ? 155 ASP E CB 1 ATOM 6876 C CG . ASP E 3 140 ? 46.347 -17.725 -158.801 1.00 46.16 ? 155 ASP E CG 1 ATOM 6877 O OD1 . ASP E 3 140 ? 45.393 -17.210 -158.180 1.00 43.24 ? 155 ASP E OD1 1 ATOM 6878 O OD2 . ASP E 3 140 ? 46.349 -17.892 -160.042 1.00 53.68 -1 155 ASP E OD2 1 ATOM 6879 N N . PHE E 3 141 ? 49.568 -17.016 -155.080 1.00 37.79 ? 156 PHE E N 1 ATOM 6880 C CA . PHE E 3 141 ? 50.670 -17.390 -154.191 1.00 38.93 ? 156 PHE E CA 1 ATOM 6881 C C . PHE E 3 141 ? 50.065 -17.974 -152.906 1.00 44.70 ? 156 PHE E C 1 ATOM 6882 O O . PHE E 3 141 ? 48.871 -17.774 -152.646 1.00 42.64 ? 156 PHE E O 1 ATOM 6883 C CB . PHE E 3 141 ? 51.605 -16.192 -153.906 1.00 39.82 ? 156 PHE E CB 1 ATOM 6884 C CG . PHE E 3 141 ? 50.951 -14.924 -153.397 1.00 39.51 ? 156 PHE E CG 1 ATOM 6885 C CD1 . PHE E 3 141 ? 50.406 -13.996 -154.282 1.00 41.84 ? 156 PHE E CD1 1 ATOM 6886 C CD2 . PHE E 3 141 ? 50.919 -14.635 -152.037 1.00 40.87 ? 156 PHE E CD2 1 ATOM 6887 C CE1 . PHE E 3 141 ? 49.814 -12.820 -153.812 1.00 41.48 ? 156 PHE E CE1 1 ATOM 6888 C CE2 . PHE E 3 141 ? 50.331 -13.455 -151.568 1.00 42.49 ? 156 PHE E CE2 1 ATOM 6889 C CZ . PHE E 3 141 ? 49.791 -12.552 -152.459 1.00 40.07 ? 156 PHE E CZ 1 ATOM 6890 N N . ASP E 3 142 ? 50.865 -18.728 -152.132 1.00 45.16 ? 157 ASP E N 1 ATOM 6891 C CA . ASP E 3 142 ? 50.413 -19.350 -150.879 1.00 46.37 ? 157 ASP E CA 1 ATOM 6892 C C . ASP E 3 142 ? 50.361 -18.311 -149.739 1.00 50.84 ? 157 ASP E C 1 ATOM 6893 O O . ASP E 3 142 ? 50.854 -17.191 -149.908 1.00 49.94 ? 157 ASP E O 1 ATOM 6894 C CB . ASP E 3 142 ? 51.314 -20.548 -150.501 1.00 50.65 ? 157 ASP E CB 1 ATOM 6895 C CG . ASP E 3 142 ? 52.784 -20.234 -150.254 1.00 64.69 ? 157 ASP E CG 1 ATOM 6896 O OD1 . ASP E 3 142 ? 53.255 -19.175 -150.722 1.00 64.91 ? 157 ASP E OD1 1 ATOM 6897 O OD2 . ASP E 3 142 ? 53.473 -21.072 -149.626 1.00 73.49 -1 157 ASP E OD2 1 ATOM 6898 N N . SER E 3 143 ? 49.776 -18.685 -148.581 1.00 48.22 ? 158 SER E N 1 ATOM 6899 C CA . SER E 3 143 ? 49.661 -17.792 -147.420 1.00 47.18 ? 158 SER E CA 1 ATOM 6900 C C . SER E 3 143 ? 51.028 -17.520 -146.743 1.00 52.68 ? 158 SER E C 1 ATOM 6901 O O . SER E 3 143 ? 51.156 -16.535 -146.008 1.00 51.92 ? 158 SER E O 1 ATOM 6902 C CB . SER E 3 143 ? 48.660 -18.344 -146.410 1.00 49.97 ? 158 SER E CB 1 ATOM 6903 O OG . SER E 3 143 ? 47.338 -18.023 -146.812 1.00 55.97 ? 158 SER E OG 1 ATOM 6904 N N . GLN E 3 144 ? 52.050 -18.355 -147.036 1.00 50.97 ? 159 GLN E N 1 ATOM 6905 C CA . GLN E 3 144 ? 53.409 -18.207 -146.514 1.00 52.05 ? 159 GLN E CA 1 ATOM 6906 C C . GLN E 3 144 ? 54.145 -17.050 -147.214 1.00 55.89 ? 159 GLN E C 1 ATOM 6907 O O . GLN E 3 144 ? 55.175 -16.594 -146.715 1.00 55.64 ? 159 GLN E O 1 ATOM 6908 C CB . GLN E 3 144 ? 54.187 -19.520 -146.669 1.00 55.73 ? 159 GLN E CB 1 ATOM 6909 N N . THR E 3 145 ? 53.604 -16.571 -148.362 1.00 52.55 ? 160 THR E N 1 ATOM 6910 C CA . THR E 3 145 ? 54.148 -15.471 -149.172 1.00 52.12 ? 160 THR E CA 1 ATOM 6911 C C . THR E 3 145 ? 53.324 -14.195 -148.939 1.00 54.91 ? 160 THR E C 1 ATOM 6912 O O . THR E 3 145 ? 52.118 -14.271 -148.685 1.00 53.51 ? 160 THR E O 1 ATOM 6913 C CB . THR E 3 145 ? 54.188 -15.883 -150.664 1.00 59.57 ? 160 THR E CB 1 ATOM 6914 O OG1 . THR E 3 145 ? 54.925 -17.098 -150.779 1.00 61.28 ? 160 THR E OG1 1 ATOM 6915 C CG2 . THR E 3 145 ? 54.850 -14.835 -151.563 1.00 57.29 ? 160 THR E CG2 1 ATOM 6916 N N . ASN E 3 146 ? 53.994 -13.028 -149.012 1.00 52.06 ? 161 ASN E N 1 ATOM 6917 C CA . ASN E 3 146 ? 53.405 -11.698 -148.848 1.00 50.92 ? 161 ASN E CA 1 ATOM 6918 C C . ASN E 3 146 ? 54.142 -10.657 -149.726 1.00 56.26 ? 161 ASN E C 1 ATOM 6919 O O . ASN E 3 146 ? 55.081 -10.999 -150.453 1.00 57.10 ? 161 ASN E O 1 ATOM 6920 C CB . ASN E 3 146 ? 53.434 -11.279 -147.366 1.00 52.25 ? 161 ASN E CB 1 ATOM 6921 C CG . ASN E 3 146 ? 52.280 -10.403 -146.924 1.00 75.82 ? 161 ASN E CG 1 ATOM 6922 O OD1 . ASN E 3 146 ? 51.798 -9.521 -147.649 1.00 67.79 ? 161 ASN E OD1 1 ATOM 6923 N ND2 . ASN E 3 146 ? 51.831 -10.608 -145.695 1.00 68.96 ? 161 ASN E ND2 1 ATOM 6924 N N . VAL E 3 147 ? 53.707 -9.388 -149.661 1.00 52.66 ? 162 VAL E N 1 ATOM 6925 C CA . VAL E 3 147 ? 54.311 -8.296 -150.419 1.00 52.85 ? 162 VAL E CA 1 ATOM 6926 C C . VAL E 3 147 ? 54.692 -7.144 -149.493 1.00 57.07 ? 162 VAL E C 1 ATOM 6927 O O . VAL E 3 147 ? 53.920 -6.782 -148.600 1.00 55.66 ? 162 VAL E O 1 ATOM 6928 C CB . VAL E 3 147 ? 53.423 -7.794 -151.591 1.00 55.62 ? 162 VAL E CB 1 ATOM 6929 C CG1 . VAL E 3 147 ? 53.528 -8.720 -152.798 1.00 55.70 ? 162 VAL E CG1 1 ATOM 6930 C CG2 . VAL E 3 147 ? 51.971 -7.601 -151.163 1.00 54.14 ? 162 VAL E CG2 1 ATOM 6931 N N . SER E 3 148 ? 55.891 -6.579 -149.709 1.00 55.34 ? 163 SER E N 1 ATOM 6932 C CA . SER E 3 148 ? 56.380 -5.424 -148.960 1.00 56.36 ? 163 SER E CA 1 ATOM 6933 C C . SER E 3 148 ? 55.979 -4.150 -149.720 1.00 61.54 ? 163 SER E C 1 ATOM 6934 O O . SER E 3 148 ? 55.490 -4.246 -150.848 1.00 60.52 ? 163 SER E O 1 ATOM 6935 C CB . SER E 3 148 ? 57.891 -5.509 -148.738 1.00 61.67 ? 163 SER E CB 1 ATOM 6936 O OG . SER E 3 148 ? 58.635 -5.436 -149.944 1.00 71.21 ? 163 SER E OG 1 ATOM 6937 N N . GLN E 3 149 ? 56.150 -2.968 -149.104 1.00 59.73 ? 164 GLN E N 1 ATOM 6938 C CA . GLN E 3 149 ? 55.789 -1.705 -149.751 1.00 59.83 ? 164 GLN E CA 1 ATOM 6939 C C . GLN E 3 149 ? 56.818 -1.339 -150.834 1.00 65.47 ? 164 GLN E C 1 ATOM 6940 O O . GLN E 3 149 ? 57.952 -1.828 -150.807 1.00 66.02 ? 164 GLN E O 1 ATOM 6941 C CB . GLN E 3 149 ? 55.610 -0.570 -148.726 1.00 61.61 ? 164 GLN E CB 1 ATOM 6942 C CG . GLN E 3 149 ? 54.387 -0.740 -147.802 1.00 71.53 ? 164 GLN E CG 1 ATOM 6943 C CD . GLN E 3 149 ? 53.051 -0.767 -148.518 1.00 89.54 ? 164 GLN E CD 1 ATOM 6944 O OE1 . GLN E 3 149 ? 52.348 -1.784 -148.530 1.00 83.14 ? 164 GLN E OE1 1 ATOM 6945 N NE2 . GLN E 3 149 ? 52.658 0.353 -149.111 1.00 83.32 ? 164 GLN E NE2 1 ATOM 6946 N N . SER E 3 150 ? 56.389 -0.521 -151.811 1.00 62.45 ? 165 SER E N 1 ATOM 6947 C CA . SER E 3 150 ? 57.179 -0.093 -152.968 1.00 63.37 ? 165 SER E CA 1 ATOM 6948 C C . SER E 3 150 ? 58.411 0.730 -152.586 1.00 69.27 ? 165 SER E C 1 ATOM 6949 O O . SER E 3 150 ? 58.381 1.510 -151.630 1.00 69.57 ? 165 SER E O 1 ATOM 6950 C CB . SER E 3 150 ? 56.312 0.713 -153.927 1.00 66.69 ? 165 SER E CB 1 ATOM 6951 O OG . SER E 3 150 ? 57.002 1.001 -155.131 1.00 77.49 ? 165 SER E OG 1 ATOM 6952 N N . LYS E 3 151 ? 59.491 0.547 -153.358 1.00 66.80 ? 166 LYS E N 1 ATOM 6953 C CA . LYS E 3 151 ? 60.767 1.241 -153.186 1.00 68.67 ? 166 LYS E CA 1 ATOM 6954 C C . LYS E 3 151 ? 60.928 2.318 -154.268 1.00 72.56 ? 166 LYS E C 1 ATOM 6955 O O . LYS E 3 151 ? 61.815 3.172 -154.171 1.00 74.10 ? 166 LYS E O 1 ATOM 6956 C CB . LYS E 3 151 ? 61.934 0.233 -153.203 1.00 72.27 ? 166 LYS E CB 1 ATOM 6957 C CG . LYS E 3 151 ? 62.222 -0.403 -151.835 1.00 84.13 ? 166 LYS E CG 1 ATOM 6958 C CD . LYS E 3 151 ? 61.248 -1.537 -151.447 1.00 88.21 ? 166 LYS E CD 1 ATOM 6959 C CE . LYS E 3 151 ? 61.373 -1.961 -150.003 1.00 95.74 ? 166 LYS E CE 1 ATOM 6960 N NZ . LYS E 3 151 ? 60.981 -0.882 -149.055 1.00 103.84 1 166 LYS E NZ 1 ATOM 6961 N N . ASP E 3 152 ? 60.042 2.287 -155.278 1.00 67.01 ? 167 ASP E N 1 ATOM 6962 C CA . ASP E 3 152 ? 59.992 3.256 -156.367 1.00 67.05 ? 167 ASP E CA 1 ATOM 6963 C C . ASP E 3 152 ? 59.013 4.378 -155.998 1.00 69.32 ? 167 ASP E C 1 ATOM 6964 O O . ASP E 3 152 ? 58.003 4.122 -155.334 1.00 67.94 ? 167 ASP E O 1 ATOM 6965 C CB . ASP E 3 152 ? 59.573 2.564 -157.675 1.00 67.85 ? 167 ASP E CB 1 ATOM 6966 C CG . ASP E 3 152 ? 60.173 3.168 -158.931 1.00 79.18 ? 167 ASP E CG 1 ATOM 6967 O OD1 . ASP E 3 152 ? 59.910 4.362 -159.203 1.00 80.52 ? 167 ASP E OD1 1 ATOM 6968 O OD2 . ASP E 3 152 ? 60.861 2.432 -159.671 1.00 85.40 -1 167 ASP E OD2 1 ATOM 6969 N N . SER E 3 153 ? 59.324 5.619 -156.411 1.00 65.83 ? 168 SER E N 1 ATOM 6970 C CA . SER E 3 153 ? 58.501 6.803 -156.137 1.00 65.06 ? 168 SER E CA 1 ATOM 6971 C C . SER E 3 153 ? 57.195 6.787 -156.946 1.00 64.69 ? 168 SER E C 1 ATOM 6972 O O . SER E 3 153 ? 56.142 7.157 -156.417 1.00 63.26 ? 168 SER E O 1 ATOM 6973 C CB . SER E 3 153 ? 59.284 8.078 -156.440 1.00 70.50 ? 168 SER E CB 1 ATOM 6974 N N . ASP E 3 154 ? 57.273 6.343 -158.220 1.00 58.70 ? 169 ASP E N 1 ATOM 6975 C CA . ASP E 3 154 ? 56.157 6.295 -159.169 1.00 56.42 ? 169 ASP E CA 1 ATOM 6976 C C . ASP E 3 154 ? 55.333 4.987 -159.122 1.00 53.34 ? 169 ASP E C 1 ATOM 6977 O O . ASP E 3 154 ? 54.234 4.966 -159.680 1.00 52.09 ? 169 ASP E O 1 ATOM 6978 C CB . ASP E 3 154 ? 56.685 6.506 -160.601 1.00 59.67 ? 169 ASP E CB 1 ATOM 6979 C CG . ASP E 3 154 ? 57.396 7.831 -160.861 1.00 75.60 ? 169 ASP E CG 1 ATOM 6980 O OD1 . ASP E 3 154 ? 57.490 8.660 -159.917 1.00 77.71 ? 169 ASP E OD1 1 ATOM 6981 O OD2 . ASP E 3 154 ? 57.863 8.039 -162.005 1.00 83.40 -1 169 ASP E OD2 1 ATOM 6982 N N . VAL E 3 155 ? 55.839 3.921 -158.462 1.00 45.35 ? 170 VAL E N 1 ATOM 6983 C CA . VAL E 3 155 ? 55.157 2.619 -158.390 1.00 41.76 ? 170 VAL E CA 1 ATOM 6984 C C . VAL E 3 155 ? 54.486 2.421 -157.012 1.00 40.78 ? 170 VAL E C 1 ATOM 6985 O O . VAL E 3 155 ? 55.079 2.736 -155.979 1.00 41.00 ? 170 VAL E O 1 ATOM 6986 C CB . VAL E 3 155 ? 56.128 1.453 -158.744 1.00 45.58 ? 170 VAL E CB 1 ATOM 6987 C CG1 . VAL E 3 155 ? 55.475 0.081 -158.560 1.00 43.96 ? 170 VAL E CG1 1 ATOM 6988 C CG2 . VAL E 3 155 ? 56.656 1.597 -160.169 1.00 46.10 ? 170 VAL E CG2 1 ATOM 6989 N N . TYR E 3 156 ? 53.230 1.922 -157.023 1.00 32.67 ? 171 TYR E N 1 ATOM 6990 C CA . TYR E 3 156 ? 52.422 1.623 -155.838 1.00 29.94 ? 171 TYR E CA 1 ATOM 6991 C C . TYR E 3 156 ? 52.130 0.136 -155.761 1.00 33.38 ? 171 TYR E C 1 ATOM 6992 O O . TYR E 3 156 ? 51.837 -0.472 -156.785 1.00 33.45 ? 171 TYR E O 1 ATOM 6993 C CB . TYR E 3 156 ? 51.099 2.396 -155.863 1.00 29.42 ? 171 TYR E CB 1 ATOM 6994 C CG . TYR E 3 156 ? 51.268 3.894 -155.867 1.00 29.77 ? 171 TYR E CG 1 ATOM 6995 C CD1 . TYR E 3 156 ? 51.470 4.595 -154.682 1.00 31.29 ? 171 TYR E CD1 1 ATOM 6996 C CD2 . TYR E 3 156 ? 51.206 4.617 -157.051 1.00 31.03 ? 171 TYR E CD2 1 ATOM 6997 C CE1 . TYR E 3 156 ? 51.621 5.978 -154.679 1.00 32.39 ? 171 TYR E CE1 1 ATOM 6998 C CE2 . TYR E 3 156 ? 51.374 5.999 -157.063 1.00 33.17 ? 171 TYR E CE2 1 ATOM 6999 C CZ . TYR E 3 156 ? 51.573 6.676 -155.873 1.00 38.00 ? 171 TYR E CZ 1 ATOM 7000 O OH . TYR E 3 156 ? 51.721 8.034 -155.886 1.00 38.98 ? 171 TYR E OH 1 ATOM 7001 N N . ILE E 3 157 ? 52.208 -0.448 -154.555 1.00 28.84 ? 172 ILE E N 1 ATOM 7002 C CA . ILE E 3 157 ? 51.923 -1.864 -154.302 1.00 27.66 ? 172 ILE E CA 1 ATOM 7003 C C . ILE E 3 157 ? 50.954 -1.922 -153.121 1.00 31.66 ? 172 ILE E C 1 ATOM 7004 O O . ILE E 3 157 ? 51.195 -1.274 -152.097 1.00 31.32 ? 172 ILE E O 1 ATOM 7005 C CB . ILE E 3 157 ? 53.225 -2.723 -154.087 1.00 31.07 ? 172 ILE E CB 1 ATOM 7006 C CG1 . ILE E 3 157 ? 53.963 -2.941 -155.417 1.00 32.32 ? 172 ILE E CG1 1 ATOM 7007 C CG2 . ILE E 3 157 ? 52.939 -4.094 -153.445 1.00 30.21 ? 172 ILE E CG2 1 ATOM 7008 C CD1 . ILE E 3 157 ? 55.391 -2.667 -155.375 1.00 38.46 ? 172 ILE E CD1 1 ATOM 7009 N N . THR E 3 158 ? 49.848 -2.679 -153.285 1.00 28.17 ? 173 THR E N 1 ATOM 7010 C CA . THR E 3 158 ? 48.816 -2.878 -152.265 1.00 28.05 ? 173 THR E CA 1 ATOM 7011 C C . THR E 3 158 ? 49.225 -3.988 -151.306 1.00 34.91 ? 173 THR E C 1 ATOM 7012 O O . THR E 3 158 ? 50.226 -4.663 -151.534 1.00 35.67 ? 173 THR E O 1 ATOM 7013 C CB . THR E 3 158 ? 47.475 -3.255 -152.926 1.00 33.74 ? 173 THR E CB 1 ATOM 7014 O OG1 . THR E 3 158 ? 47.587 -4.560 -153.502 1.00 31.90 ? 173 THR E OG1 1 ATOM 7015 C CG2 . THR E 3 158 ? 47.007 -2.247 -153.951 1.00 32.83 ? 173 THR E CG2 1 ATOM 7016 N N . ASP E 3 159 ? 48.411 -4.234 -150.283 1.00 32.81 ? 174 ASP E N 1 ATOM 7017 C CA . ASP E 3 159 ? 48.629 -5.350 -149.372 1.00 33.52 ? 174 ASP E CA 1 ATOM 7018 C C . ASP E 3 159 ? 48.132 -6.653 -150.037 1.00 38.10 ? 174 ASP E C 1 ATOM 7019 O O . ASP E 3 159 ? 47.435 -6.586 -151.061 1.00 37.95 ? 174 ASP E O 1 ATOM 7020 C CB . ASP E 3 159 ? 47.883 -5.092 -148.041 1.00 35.40 ? 174 ASP E CB 1 ATOM 7021 C CG . ASP E 3 159 ? 48.587 -4.165 -147.060 1.00 51.23 ? 174 ASP E CG 1 ATOM 7022 O OD1 . ASP E 3 159 ? 49.547 -3.464 -147.477 1.00 54.01 ? 174 ASP E OD1 1 ATOM 7023 O OD2 . ASP E 3 159 ? 48.171 -4.126 -145.881 1.00 57.53 -1 174 ASP E OD2 1 ATOM 7024 N N . LYS E 3 160 ? 48.479 -7.830 -149.461 1.00 35.14 ? 175 LYS E N 1 ATOM 7025 C CA . LYS E 3 160 ? 47.958 -9.104 -149.953 1.00 34.90 ? 175 LYS E CA 1 ATOM 7026 C C . LYS E 3 160 ? 46.470 -9.162 -149.563 1.00 38.48 ? 175 LYS E C 1 ATOM 7027 O O . LYS E 3 160 ? 46.073 -8.638 -148.517 1.00 37.15 ? 175 LYS E O 1 ATOM 7028 C CB . LYS E 3 160 ? 48.765 -10.320 -149.445 1.00 37.90 ? 175 LYS E CB 1 ATOM 7029 C CG . LYS E 3 160 ? 48.633 -10.643 -147.954 1.00 54.34 ? 175 LYS E CG 1 ATOM 7030 C CD . LYS E 3 160 ? 49.138 -12.053 -147.636 1.00 65.53 ? 175 LYS E CD 1 ATOM 7031 C CE . LYS E 3 160 ? 48.861 -12.449 -146.204 1.00 76.67 ? 175 LYS E CE 1 ATOM 7032 N NZ . LYS E 3 160 ? 49.533 -13.726 -145.841 1.00 88.85 1 175 LYS E NZ 1 ATOM 7033 N N . CYS E 3 161 ? 45.646 -9.723 -150.435 1.00 36.06 ? 176 CYS E N 1 ATOM 7034 C CA . CYS E 3 161 ? 44.199 -9.762 -150.242 1.00 35.71 ? 176 CYS E CA 1 ATOM 7035 C C . CYS E 3 161 ? 43.652 -11.113 -150.736 1.00 38.85 ? 176 CYS E C 1 ATOM 7036 O O . CYS E 3 161 ? 44.013 -11.543 -151.834 1.00 39.91 ? 176 CYS E O 1 ATOM 7037 C CB . CYS E 3 161 ? 43.586 -8.585 -150.996 1.00 36.58 ? 176 CYS E CB 1 ATOM 7038 S SG . CYS E 3 161 ? 41.794 -8.473 -150.877 1.00 40.81 ? 176 CYS E SG 1 ATOM 7039 N N . VAL E 3 162 ? 42.811 -11.798 -149.941 1.00 33.23 ? 177 VAL E N 1 ATOM 7040 C CA . VAL E 3 162 ? 42.324 -13.108 -150.385 1.00 33.25 ? 177 VAL E CA 1 ATOM 7041 C C . VAL E 3 162 ? 40.840 -13.049 -150.781 1.00 35.66 ? 177 VAL E C 1 ATOM 7042 O O . VAL E 3 162 ? 40.008 -12.535 -150.035 1.00 33.82 ? 177 VAL E O 1 ATOM 7043 C CB . VAL E 3 162 ? 42.625 -14.261 -149.384 1.00 37.53 ? 177 VAL E CB 1 ATOM 7044 C CG1 . VAL E 3 162 ? 41.913 -14.074 -148.043 1.00 36.53 ? 177 VAL E CG1 1 ATOM 7045 C CG2 . VAL E 3 162 ? 42.320 -15.632 -149.992 1.00 38.61 ? 177 VAL E CG2 1 ATOM 7046 N N . LEU E 3 163 ? 40.532 -13.566 -151.980 1.00 32.94 ? 178 LEU E N 1 ATOM 7047 C CA . LEU E 3 163 ? 39.164 -13.660 -152.469 1.00 33.52 ? 178 LEU E CA 1 ATOM 7048 C C . LEU E 3 163 ? 38.730 -15.132 -152.448 1.00 40.58 ? 178 LEU E C 1 ATOM 7049 O O . LEU E 3 163 ? 39.573 -16.037 -152.449 1.00 40.24 ? 178 LEU E O 1 ATOM 7050 C CB . LEU E 3 163 ? 38.967 -13.011 -153.861 1.00 33.58 ? 178 LEU E CB 1 ATOM 7051 C CG . LEU E 3 163 ? 39.715 -13.588 -155.056 1.00 38.26 ? 178 LEU E CG 1 ATOM 7052 C CD1 . LEU E 3 163 ? 38.879 -14.646 -155.761 1.00 40.11 ? 178 LEU E CD1 1 ATOM 7053 C CD2 . LEU E 3 163 ? 40.044 -12.498 -156.042 1.00 38.89 ? 178 LEU E CD2 1 ATOM 7054 N N . ASP E 3 164 ? 37.416 -15.359 -152.396 1.00 39.82 ? 179 ASP E N 1 ATOM 7055 C CA . ASP E 3 164 ? 36.846 -16.700 -152.372 1.00 41.85 ? 179 ASP E CA 1 ATOM 7056 C C . ASP E 3 164 ? 35.741 -16.796 -153.407 1.00 47.37 ? 179 ASP E C 1 ATOM 7057 O O . ASP E 3 164 ? 34.748 -16.069 -153.321 1.00 46.47 ? 179 ASP E O 1 ATOM 7058 C CB . ASP E 3 164 ? 36.333 -17.056 -150.959 1.00 44.08 ? 179 ASP E CB 1 ATOM 7059 C CG . ASP E 3 164 ? 35.554 -18.360 -150.879 1.00 65.09 ? 179 ASP E CG 1 ATOM 7060 O OD1 . ASP E 3 164 ? 36.196 -19.441 -150.870 1.00 67.82 ? 179 ASP E OD1 1 ATOM 7061 O OD2 . ASP E 3 164 ? 34.301 -18.303 -150.847 1.00 74.39 -1 179 ASP E OD2 1 ATOM 7062 N N . MET E 3 165 ? 35.934 -17.669 -154.401 1.00 46.38 ? 180 MET E N 1 ATOM 7063 C CA . MET E 3 165 ? 34.941 -17.940 -155.432 1.00 48.60 ? 180 MET E CA 1 ATOM 7064 C C . MET E 3 165 ? 34.029 -19.021 -154.862 1.00 56.57 ? 180 MET E C 1 ATOM 7065 O O . MET E 3 165 ? 34.402 -20.195 -154.848 1.00 57.74 ? 180 MET E O 1 ATOM 7066 C CB . MET E 3 165 ? 35.610 -18.344 -156.760 1.00 51.83 ? 180 MET E CB 1 ATOM 7067 C CG . MET E 3 165 ? 36.342 -17.194 -157.444 1.00 53.95 ? 180 MET E CG 1 ATOM 7068 S SD . MET E 3 165 ? 37.273 -17.682 -158.925 1.00 58.79 ? 180 MET E SD 1 ATOM 7069 C CE . MET E 3 165 ? 35.969 -17.705 -160.133 1.00 57.51 ? 180 MET E CE 1 ATOM 7070 N N . ARG E 3 166 ? 32.892 -18.594 -154.275 1.00 54.99 ? 181 ARG E N 1 ATOM 7071 C CA . ARG E 3 166 ? 31.893 -19.430 -153.594 1.00 57.03 ? 181 ARG E CA 1 ATOM 7072 C C . ARG E 3 166 ? 31.421 -20.623 -154.433 1.00 64.34 ? 181 ARG E C 1 ATOM 7073 O O . ARG E 3 166 ? 31.436 -21.752 -153.937 1.00 64.80 ? 181 ARG E O 1 ATOM 7074 C CB . ARG E 3 166 ? 30.668 -18.588 -153.193 1.00 58.92 ? 181 ARG E CB 1 ATOM 7075 C CG . ARG E 3 166 ? 30.822 -17.788 -151.899 1.00 71.31 ? 181 ARG E CG 1 ATOM 7076 C CD . ARG E 3 166 ? 29.606 -16.909 -151.616 1.00 84.94 ? 181 ARG E CD 1 ATOM 7077 N NE . ARG E 3 166 ? 28.402 -17.681 -151.279 1.00 96.96 ? 181 ARG E NE 1 ATOM 7078 C CZ . ARG E 3 166 ? 27.375 -17.886 -152.103 1.00 113.41 ? 181 ARG E CZ 1 ATOM 7079 N NH1 . ARG E 3 166 ? 26.331 -18.601 -151.706 1.00 102.18 1 181 ARG E NH1 1 ATOM 7080 N NH2 . ARG E 3 166 ? 27.387 -17.379 -153.331 1.00 100.52 ? 181 ARG E NH2 1 ATOM 7081 N N . SER E 3 167 ? 31.008 -20.366 -155.694 1.00 62.89 ? 182 SER E N 1 ATOM 7082 C CA . SER E 3 167 ? 30.491 -21.370 -156.629 1.00 65.83 ? 182 SER E CA 1 ATOM 7083 C C . SER E 3 167 ? 31.526 -22.448 -156.982 1.00 71.44 ? 182 SER E C 1 ATOM 7084 O O . SER E 3 167 ? 31.148 -23.605 -157.167 1.00 73.70 ? 182 SER E O 1 ATOM 7085 C CB . SER E 3 167 ? 29.995 -20.702 -157.906 1.00 70.21 ? 182 SER E CB 1 ATOM 7086 N N . MET E 3 168 ? 32.816 -22.080 -157.069 1.00 66.57 ? 183 MET E N 1 ATOM 7087 C CA . MET E 3 168 ? 33.886 -23.024 -157.406 1.00 67.25 ? 183 MET E CA 1 ATOM 7088 C C . MET E 3 168 ? 34.611 -23.564 -156.159 1.00 69.29 ? 183 MET E C 1 ATOM 7089 O O . MET E 3 168 ? 35.422 -24.485 -156.290 1.00 69.86 ? 183 MET E O 1 ATOM 7090 C CB . MET E 3 168 ? 34.900 -22.368 -158.358 1.00 68.84 ? 183 MET E CB 1 ATOM 7091 C CG . MET E 3 168 ? 34.340 -22.112 -159.736 1.00 74.39 ? 183 MET E CG 1 ATOM 7092 S SD . MET E 3 168 ? 35.555 -21.392 -160.856 1.00 78.18 ? 183 MET E SD 1 ATOM 7093 C CE . MET E 3 168 ? 36.151 -22.872 -161.680 1.00 77.59 ? 183 MET E CE 1 ATOM 7094 N N . ASP E 3 169 ? 34.301 -23.011 -154.955 1.00 63.49 ? 184 ASP E N 1 ATOM 7095 C CA . ASP E 3 169 ? 34.927 -23.346 -153.663 1.00 61.82 ? 184 ASP E CA 1 ATOM 7096 C C . ASP E 3 169 ? 36.464 -23.268 -153.832 1.00 62.86 ? 184 ASP E C 1 ATOM 7097 O O . ASP E 3 169 ? 37.177 -24.269 -153.692 1.00 63.98 ? 184 ASP E O 1 ATOM 7098 C CB . ASP E 3 169 ? 34.444 -24.717 -153.127 1.00 66.03 ? 184 ASP E CB 1 ATOM 7099 C CG . ASP E 3 169 ? 32.948 -24.800 -152.860 1.00 78.29 ? 184 ASP E CG 1 ATOM 7100 O OD1 . ASP E 3 169 ? 32.447 -24.017 -152.014 1.00 77.60 ? 184 ASP E OD1 1 ATOM 7101 O OD2 . ASP E 3 169 ? 32.281 -25.665 -153.472 1.00 86.09 -1 184 ASP E OD2 1 ATOM 7102 N N . PHE E 3 170 ? 36.935 -22.059 -154.228 1.00 55.21 ? 185 PHE E N 1 ATOM 7103 C CA . PHE E 3 170 ? 38.327 -21.716 -154.531 1.00 52.73 ? 185 PHE E CA 1 ATOM 7104 C C . PHE E 3 170 ? 38.728 -20.413 -153.843 1.00 50.71 ? 185 PHE E C 1 ATOM 7105 O O . PHE E 3 170 ? 37.967 -19.449 -153.860 1.00 49.23 ? 185 PHE E O 1 ATOM 7106 C CB . PHE E 3 170 ? 38.502 -21.592 -156.063 1.00 55.48 ? 185 PHE E CB 1 ATOM 7107 C CG . PHE E 3 170 ? 39.834 -21.080 -156.574 1.00 56.07 ? 185 PHE E CG 1 ATOM 7108 C CD1 . PHE E 3 170 ? 40.918 -21.940 -156.726 1.00 59.92 ? 185 PHE E CD1 1 ATOM 7109 C CD2 . PHE E 3 170 ? 39.987 -19.751 -156.956 1.00 56.56 ? 185 PHE E CD2 1 ATOM 7110 C CE1 . PHE E 3 170 ? 42.140 -21.471 -157.218 1.00 60.17 ? 185 PHE E CE1 1 ATOM 7111 C CE2 . PHE E 3 170 ? 41.209 -19.283 -157.440 1.00 58.70 ? 185 PHE E CE2 1 ATOM 7112 C CZ . PHE E 3 170 ? 42.277 -20.146 -157.570 1.00 57.75 ? 185 PHE E CZ 1 ATOM 7113 N N . LYS E 3 171 ? 39.939 -20.387 -153.270 1.00 43.90 ? 186 LYS E N 1 ATOM 7114 C CA . LYS E 3 171 ? 40.507 -19.231 -152.577 1.00 40.57 ? 186 LYS E CA 1 ATOM 7115 C C . LYS E 3 171 ? 41.817 -18.814 -153.223 1.00 41.71 ? 186 LYS E C 1 ATOM 7116 O O . LYS E 3 171 ? 42.599 -19.686 -153.610 1.00 42.77 ? 186 LYS E O 1 ATOM 7117 C CB . LYS E 3 171 ? 40.719 -19.540 -151.086 1.00 42.37 ? 186 LYS E CB 1 ATOM 7118 C CG . LYS E 3 171 ? 39.460 -19.315 -150.265 1.00 55.49 ? 186 LYS E CG 1 ATOM 7119 C CD . LYS E 3 171 ? 39.658 -19.596 -148.789 1.00 61.68 ? 186 LYS E CD 1 ATOM 7120 C CE . LYS E 3 171 ? 38.497 -19.110 -147.954 1.00 67.62 ? 186 LYS E CE 1 ATOM 7121 N NZ . LYS E 3 171 ? 37.314 -20.002 -148.070 1.00 77.93 1 186 LYS E NZ 1 ATOM 7122 N N . SER E 3 172 ? 42.058 -17.489 -153.360 1.00 34.32 ? 187 SER E N 1 ATOM 7123 C CA . SER E 3 172 ? 43.302 -16.993 -153.957 1.00 33.14 ? 187 SER E CA 1 ATOM 7124 C C . SER E 3 172 ? 43.743 -15.638 -153.391 1.00 35.47 ? 187 SER E C 1 ATOM 7125 O O . SER E 3 172 ? 42.931 -14.713 -153.254 1.00 34.77 ? 187 SER E O 1 ATOM 7126 C CB . SER E 3 172 ? 43.195 -16.906 -155.483 1.00 36.19 ? 187 SER E CB 1 ATOM 7127 O OG . SER E 3 172 ? 42.103 -16.112 -155.923 1.00 42.39 ? 187 SER E OG 1 ATOM 7128 N N . ASN E 3 173 ? 45.052 -15.538 -153.092 1.00 30.99 ? 188 ASN E N 1 ATOM 7129 C CA . ASN E 3 173 ? 45.728 -14.329 -152.611 1.00 29.54 ? 188 ASN E CA 1 ATOM 7130 C C . ASN E 3 173 ? 46.157 -13.462 -153.794 1.00 33.53 ? 188 ASN E C 1 ATOM 7131 O O . ASN E 3 173 ? 46.602 -13.993 -154.818 1.00 34.39 ? 188 ASN E O 1 ATOM 7132 C CB . ASN E 3 173 ? 46.969 -14.684 -151.770 1.00 29.32 ? 188 ASN E CB 1 ATOM 7133 C CG . ASN E 3 173 ? 46.708 -15.362 -150.452 1.00 42.07 ? 188 ASN E CG 1 ATOM 7134 O OD1 . ASN E 3 173 ? 46.005 -14.843 -149.570 1.00 33.61 ? 188 ASN E OD1 1 ATOM 7135 N ND2 . ASN E 3 173 ? 47.364 -16.492 -150.252 1.00 31.67 ? 188 ASN E ND2 1 ATOM 7136 N N . SER E 3 174 ? 46.044 -12.134 -153.654 1.00 28.87 ? 189 SER E N 1 ATOM 7137 C CA . SER E 3 174 ? 46.443 -11.207 -154.715 1.00 28.47 ? 189 SER E CA 1 ATOM 7138 C C . SER E 3 174 ? 46.961 -9.883 -154.164 1.00 30.31 ? 189 SER E C 1 ATOM 7139 O O . SER E 3 174 ? 46.519 -9.415 -153.108 1.00 28.58 ? 189 SER E O 1 ATOM 7140 C CB . SER E 3 174 ? 45.292 -10.944 -155.689 1.00 32.50 ? 189 SER E CB 1 ATOM 7141 O OG . SER E 3 174 ? 44.136 -10.434 -155.043 1.00 41.83 ? 189 SER E OG 1 ATOM 7142 N N . ALA E 3 175 ? 47.904 -9.294 -154.916 1.00 26.09 ? 190 ALA E N 1 ATOM 7143 C CA . ALA E 3 175 ? 48.514 -7.992 -154.689 1.00 25.22 ? 190 ALA E CA 1 ATOM 7144 C C . ALA E 3 175 ? 48.504 -7.201 -156.001 1.00 27.75 ? 190 ALA E C 1 ATOM 7145 O O . ALA E 3 175 ? 48.797 -7.757 -157.063 1.00 27.65 ? 190 ALA E O 1 ATOM 7146 C CB . ALA E 3 175 ? 49.933 -8.158 -154.175 1.00 26.60 ? 190 ALA E CB 1 ATOM 7147 N N . VAL E 3 176 ? 48.163 -5.908 -155.928 1.00 23.37 ? 191 VAL E N 1 ATOM 7148 C CA . VAL E 3 176 ? 48.104 -5.037 -157.106 1.00 23.42 ? 191 VAL E CA 1 ATOM 7149 C C . VAL E 3 176 ? 49.250 -4.015 -157.080 1.00 26.17 ? 191 VAL E C 1 ATOM 7150 O O . VAL E 3 176 ? 49.527 -3.423 -156.044 1.00 25.08 ? 191 VAL E O 1 ATOM 7151 C CB . VAL E 3 176 ? 46.711 -4.342 -157.214 1.00 27.12 ? 191 VAL E CB 1 ATOM 7152 C CG1 . VAL E 3 176 ? 46.689 -3.278 -158.304 1.00 27.77 ? 191 VAL E CG1 1 ATOM 7153 C CG2 . VAL E 3 176 ? 45.597 -5.365 -157.442 1.00 26.67 ? 191 VAL E CG2 1 ATOM 7154 N N . ALA E 3 177 ? 49.899 -3.822 -158.238 1.00 23.04 ? 192 ALA E N 1 ATOM 7155 C CA . ALA E 3 177 ? 50.939 -2.821 -158.486 1.00 23.12 ? 192 ALA E CA 1 ATOM 7156 C C . ALA E 3 177 ? 50.524 -1.921 -159.649 1.00 27.62 ? 192 ALA E C 1 ATOM 7157 O O . ALA E 3 177 ? 49.989 -2.421 -160.642 1.00 26.58 ? 192 ALA E O 1 ATOM 7158 C CB . ALA E 3 177 ? 52.270 -3.480 -158.786 1.00 24.34 ? 192 ALA E CB 1 ATOM 7159 N N . TRP E 3 178 ? 50.724 -0.596 -159.515 1.00 25.90 ? 193 TRP E N 1 ATOM 7160 C CA . TRP E 3 178 ? 50.409 0.344 -160.592 1.00 27.19 ? 193 TRP E CA 1 ATOM 7161 C C . TRP E 3 178 ? 51.368 1.546 -160.601 1.00 34.79 ? 193 TRP E C 1 ATOM 7162 O O . TRP E 3 178 ? 52.025 1.831 -159.595 1.00 33.99 ? 193 TRP E O 1 ATOM 7163 C CB . TRP E 3 178 ? 48.937 0.805 -160.582 1.00 25.53 ? 193 TRP E CB 1 ATOM 7164 C CG . TRP E 3 178 ? 48.601 1.852 -159.565 1.00 26.51 ? 193 TRP E CG 1 ATOM 7165 C CD1 . TRP E 3 178 ? 48.596 3.204 -159.745 1.00 30.53 ? 193 TRP E CD1 1 ATOM 7166 C CD2 . TRP E 3 178 ? 48.137 1.621 -158.235 1.00 25.32 ? 193 TRP E CD2 1 ATOM 7167 N NE1 . TRP E 3 178 ? 48.190 3.832 -158.592 1.00 29.94 ? 193 TRP E NE1 1 ATOM 7168 C CE2 . TRP E 3 178 ? 47.910 2.884 -157.645 1.00 29.97 ? 193 TRP E CE2 1 ATOM 7169 C CE3 . TRP E 3 178 ? 47.916 0.466 -157.469 1.00 25.23 ? 193 TRP E CE3 1 ATOM 7170 C CZ2 . TRP E 3 178 ? 47.491 3.026 -156.323 1.00 28.86 ? 193 TRP E CZ2 1 ATOM 7171 C CZ3 . TRP E 3 178 ? 47.465 0.607 -156.168 1.00 26.20 ? 193 TRP E CZ3 1 ATOM 7172 C CH2 . TRP E 3 178 ? 47.239 1.873 -155.613 1.00 27.51 ? 193 TRP E CH2 1 ATOM 7173 N N . SER E 3 179 ? 51.442 2.226 -161.768 1.00 35.13 ? 194 SER E N 1 ATOM 7174 C CA . SER E 3 179 ? 52.279 3.395 -162.042 1.00 37.65 ? 194 SER E CA 1 ATOM 7175 C C . SER E 3 179 ? 51.748 4.184 -163.245 1.00 46.55 ? 194 SER E C 1 ATOM 7176 O O . SER E 3 179 ? 51.042 3.621 -164.088 1.00 46.30 ? 194 SER E O 1 ATOM 7177 C CB . SER E 3 179 ? 53.718 2.956 -162.306 1.00 41.70 ? 194 SER E CB 1 ATOM 7178 O OG . SER E 3 179 ? 54.573 4.050 -162.588 1.00 54.02 ? 194 SER E OG 1 ATOM 7179 N N . ASN E 3 180 ? 52.111 5.482 -163.327 1.00 47.12 ? 195 ASN E N 1 ATOM 7180 C CA . ASN E 3 180 ? 51.761 6.379 -164.439 1.00 49.37 ? 195 ASN E CA 1 ATOM 7181 C C . ASN E 3 180 ? 52.861 6.351 -165.528 1.00 56.49 ? 195 ASN E C 1 ATOM 7182 O O . ASN E 3 180 ? 52.692 6.960 -166.591 1.00 57.40 ? 195 ASN E O 1 ATOM 7183 C CB . ASN E 3 180 ? 51.533 7.814 -163.938 1.00 52.09 ? 195 ASN E CB 1 ATOM 7184 C CG . ASN E 3 180 ? 52.760 8.463 -163.342 1.00 80.39 ? 195 ASN E CG 1 ATOM 7185 O OD1 . ASN E 3 180 ? 53.135 8.211 -162.191 1.00 75.69 ? 195 ASN E OD1 1 ATOM 7186 N ND2 . ASN E 3 180 ? 53.412 9.315 -164.116 1.00 75.42 ? 195 ASN E ND2 1 ATOM 7187 N N . LYS E 3 181 ? 53.981 5.641 -165.251 1.00 54.49 ? 196 LYS E N 1 ATOM 7188 C CA . LYS E 3 181 ? 55.128 5.496 -166.151 1.00 56.15 ? 196 LYS E CA 1 ATOM 7189 C C . LYS E 3 181 ? 54.766 4.692 -167.414 1.00 62.91 ? 196 LYS E C 1 ATOM 7190 O O . LYS E 3 181 ? 54.018 3.712 -167.336 1.00 61.61 ? 196 LYS E O 1 ATOM 7191 C CB . LYS E 3 181 ? 56.303 4.828 -165.419 1.00 57.85 ? 196 LYS E CB 1 ATOM 7192 N N . SER E 3 182 ? 55.282 5.133 -168.579 1.00 62.43 ? 197 SER E N 1 ATOM 7193 C CA . SER E 3 182 ? 55.066 4.477 -169.871 1.00 63.11 ? 197 SER E CA 1 ATOM 7194 C C . SER E 3 182 ? 55.958 3.240 -169.978 1.00 68.15 ? 197 SER E C 1 ATOM 7195 O O . SER E 3 182 ? 55.546 2.215 -170.532 1.00 67.14 ? 197 SER E O 1 ATOM 7196 C CB . SER E 3 182 ? 55.354 5.446 -171.013 1.00 68.55 ? 197 SER E CB 1 ATOM 7197 N N . ASP E 3 183 ? 57.176 3.343 -169.404 1.00 66.19 ? 198 ASP E N 1 ATOM 7198 C CA . ASP E 3 183 ? 58.210 2.305 -169.343 1.00 66.06 ? 198 ASP E CA 1 ATOM 7199 C C . ASP E 3 183 ? 57.963 1.321 -168.170 1.00 67.92 ? 198 ASP E C 1 ATOM 7200 O O . ASP E 3 183 ? 58.848 0.520 -167.849 1.00 68.13 ? 198 ASP E O 1 ATOM 7201 C CB . ASP E 3 183 ? 59.598 2.971 -169.199 1.00 69.53 ? 198 ASP E CB 1 ATOM 7202 C CG . ASP E 3 183 ? 59.781 3.763 -167.913 1.00 81.84 ? 198 ASP E CG 1 ATOM 7203 O OD1 . ASP E 3 183 ? 59.160 4.847 -167.785 1.00 82.80 ? 198 ASP E OD1 1 ATOM 7204 O OD2 . ASP E 3 183 ? 60.543 3.300 -167.034 1.00 88.60 -1 198 ASP E OD2 1 ATOM 7205 N N . PHE E 3 184 ? 56.767 1.389 -167.534 1.00 61.68 ? 199 PHE E N 1 ATOM 7206 C CA . PHE E 3 184 ? 56.400 0.547 -166.395 1.00 59.41 ? 199 PHE E CA 1 ATOM 7207 C C . PHE E 3 184 ? 56.088 -0.881 -166.835 1.00 61.28 ? 199 PHE E C 1 ATOM 7208 O O . PHE E 3 184 ? 55.175 -1.120 -167.635 1.00 60.90 ? 199 PHE E O 1 ATOM 7209 C CB . PHE E 3 184 ? 55.218 1.150 -165.610 1.00 60.29 ? 199 PHE E CB 1 ATOM 7210 C CG . PHE E 3 184 ? 54.644 0.284 -164.510 1.00 60.17 ? 199 PHE E CG 1 ATOM 7211 C CD1 . PHE E 3 184 ? 55.401 -0.042 -163.388 1.00 62.81 ? 199 PHE E CD1 1 ATOM 7212 C CD2 . PHE E 3 184 ? 53.333 -0.174 -164.576 1.00 61.04 ? 199 PHE E CD2 1 ATOM 7213 C CE1 . PHE E 3 184 ? 54.861 -0.824 -162.364 1.00 62.48 ? 199 PHE E CE1 1 ATOM 7214 C CE2 . PHE E 3 184 ? 52.796 -0.961 -163.554 1.00 62.58 ? 199 PHE E CE2 1 ATOM 7215 C CZ . PHE E 3 184 ? 53.563 -1.280 -162.454 1.00 60.39 ? 199 PHE E CZ 1 ATOM 7216 N N . ALA E 3 185 ? 56.868 -1.822 -166.289 1.00 56.31 ? 200 ALA E N 1 ATOM 7217 C CA . ALA E 3 185 ? 56.751 -3.256 -166.527 1.00 55.20 ? 200 ALA E CA 1 ATOM 7218 C C . ALA E 3 185 ? 56.385 -3.975 -165.237 1.00 56.38 ? 200 ALA E C 1 ATOM 7219 O O . ALA E 3 185 ? 56.644 -3.456 -164.148 1.00 55.62 ? 200 ALA E O 1 ATOM 7220 C CB . ALA E 3 185 ? 58.064 -3.796 -167.069 1.00 56.99 ? 200 ALA E CB 1 ATOM 7221 N N . CYS E 3 186 ? 55.808 -5.178 -165.355 1.00 51.16 ? 201 CYS E N 1 ATOM 7222 C CA . CYS E 3 186 ? 55.433 -5.981 -164.204 1.00 49.90 ? 201 CYS E CA 1 ATOM 7223 C C . CYS E 3 186 ? 56.653 -6.644 -163.571 1.00 54.82 ? 201 CYS E C 1 ATOM 7224 O O . CYS E 3 186 ? 56.606 -6.984 -162.388 1.00 53.81 ? 201 CYS E O 1 ATOM 7225 C CB . CYS E 3 186 ? 54.367 -6.999 -164.583 1.00 49.72 ? 201 CYS E CB 1 ATOM 7226 S SG . CYS E 3 186 ? 52.783 -6.254 -165.065 1.00 52.99 ? 201 CYS E SG 1 ATOM 7227 N N . ALA E 3 187 ? 57.753 -6.779 -164.338 1.00 53.57 ? 202 ALA E N 1 ATOM 7228 C CA . ALA E 3 187 ? 59.022 -7.341 -163.876 1.00 54.89 ? 202 ALA E CA 1 ATOM 7229 C C . ALA E 3 187 ? 59.662 -6.437 -162.806 1.00 59.91 ? 202 ALA E C 1 ATOM 7230 O O . ALA E 3 187 ? 59.939 -6.908 -161.698 1.00 59.55 ? 202 ALA E O 1 ATOM 7231 C CB . ALA E 3 187 ? 59.970 -7.527 -165.053 1.00 56.88 ? 202 ALA E CB 1 ATOM 7232 N N . ASN E 3 188 ? 59.837 -5.130 -163.114 1.00 57.40 ? 203 ASN E N 1 ATOM 7233 C CA . ASN E 3 188 ? 60.431 -4.157 -162.188 1.00 57.96 ? 203 ASN E CA 1 ATOM 7234 C C . ASN E 3 188 ? 59.420 -3.684 -161.115 1.00 60.72 ? 203 ASN E C 1 ATOM 7235 O O . ASN E 3 188 ? 59.811 -2.972 -160.182 1.00 60.78 ? 203 ASN E O 1 ATOM 7236 C CB . ASN E 3 188 ? 61.048 -2.954 -162.942 1.00 60.58 ? 203 ASN E CB 1 ATOM 7237 C CG . ASN E 3 188 ? 60.152 -2.249 -163.938 1.00 83.44 ? 203 ASN E CG 1 ATOM 7238 O OD1 . ASN E 3 188 ? 59.117 -1.664 -163.592 1.00 76.57 ? 203 ASN E OD1 1 ATOM 7239 N ND2 . ASN E 3 188 ? 60.589 -2.204 -165.188 1.00 75.41 ? 203 ASN E ND2 1 ATOM 7240 N N . ALA E 3 189 ? 58.141 -4.106 -161.228 1.00 55.83 ? 204 ALA E N 1 ATOM 7241 C CA . ALA E 3 189 ? 57.087 -3.759 -160.271 1.00 54.53 ? 204 ALA E CA 1 ATOM 7242 C C . ALA E 3 189 ? 57.249 -4.543 -158.961 1.00 57.79 ? 204 ALA E C 1 ATOM 7243 O O . ALA E 3 189 ? 57.234 -3.938 -157.891 1.00 57.21 ? 204 ALA E O 1 ATOM 7244 C CB . ALA E 3 189 ? 55.713 -4.023 -160.876 1.00 54.32 ? 204 ALA E CB 1 ATOM 7245 N N . PHE E 3 190 ? 57.413 -5.876 -159.046 1.00 54.04 ? 205 PHE E N 1 ATOM 7246 C CA . PHE E 3 190 ? 57.567 -6.742 -157.880 1.00 53.67 ? 205 PHE E CA 1 ATOM 7247 C C . PHE E 3 190 ? 59.005 -7.296 -157.774 1.00 61.32 ? 205 PHE E C 1 ATOM 7248 O O . PHE E 3 190 ? 59.209 -8.341 -157.145 1.00 61.32 ? 205 PHE E O 1 ATOM 7249 C CB . PHE E 3 190 ? 56.551 -7.901 -157.939 1.00 54.07 ? 205 PHE E CB 1 ATOM 7250 C CG . PHE E 3 190 ? 55.089 -7.523 -157.920 1.00 53.45 ? 205 PHE E CG 1 ATOM 7251 C CD1 . PHE E 3 190 ? 54.430 -7.294 -156.719 1.00 54.98 ? 205 PHE E CD1 1 ATOM 7252 C CD2 . PHE E 3 190 ? 54.356 -7.456 -159.098 1.00 54.70 ? 205 PHE E CD2 1 ATOM 7253 C CE1 . PHE E 3 190 ? 53.074 -6.956 -156.701 1.00 54.52 ? 205 PHE E CE1 1 ATOM 7254 C CE2 . PHE E 3 190 ? 52.997 -7.127 -159.079 1.00 56.24 ? 205 PHE E CE2 1 ATOM 7255 C CZ . PHE E 3 190 ? 52.366 -6.883 -157.880 1.00 53.42 ? 205 PHE E CZ 1 ATOM 7256 N N . ASN E 3 191 ? 60.000 -6.590 -158.361 1.00 60.69 ? 206 ASN E N 1 ATOM 7257 C CA . ASN E 3 191 ? 61.404 -7.031 -158.350 1.00 63.06 ? 206 ASN E CA 1 ATOM 7258 C C . ASN E 3 191 ? 62.003 -7.011 -156.922 1.00 68.47 ? 206 ASN E C 1 ATOM 7259 O O . ASN E 3 191 ? 62.766 -7.920 -156.574 1.00 69.97 ? 206 ASN E O 1 ATOM 7260 C CB . ASN E 3 191 ? 62.276 -6.218 -159.341 1.00 65.79 ? 206 ASN E CB 1 ATOM 7261 C CG . ASN E 3 191 ? 62.700 -4.826 -158.912 1.00 90.55 ? 206 ASN E CG 1 ATOM 7262 O OD1 . ASN E 3 191 ? 61.973 -4.088 -158.229 1.00 85.81 ? 206 ASN E OD1 1 ATOM 7263 N ND2 . ASN E 3 191 ? 63.891 -4.428 -159.335 1.00 82.45 ? 206 ASN E ND2 1 ATOM 7264 N N . ASN E 3 192 ? 61.634 -6.002 -156.103 1.00 63.87 ? 207 ASN E N 1 ATOM 7265 C CA . ASN E 3 192 ? 62.100 -5.875 -154.719 1.00 64.39 ? 207 ASN E CA 1 ATOM 7266 C C . ASN E 3 192 ? 60.902 -5.665 -153.771 1.00 66.25 ? 207 ASN E C 1 ATOM 7267 O O . ASN E 3 192 ? 60.988 -4.893 -152.804 1.00 66.22 ? 207 ASN E O 1 ATOM 7268 C CB . ASN E 3 192 ? 63.123 -4.737 -154.601 1.00 66.91 ? 207 ASN E CB 1 ATOM 7269 C CG . ASN E 3 192 ? 64.507 -5.128 -155.049 1.00 90.61 ? 207 ASN E CG 1 ATOM 7270 O OD1 . ASN E 3 192 ? 65.280 -5.734 -154.299 1.00 84.17 ? 207 ASN E OD1 1 ATOM 7271 N ND2 . ASN E 3 192 ? 64.847 -4.790 -156.285 1.00 83.66 ? 207 ASN E ND2 1 ATOM 7272 N N . SER E 3 193 ? 59.792 -6.385 -154.036 1.00 60.54 ? 208 SER E N 1 ATOM 7273 C CA . SER E 3 193 ? 58.573 -6.241 -153.244 1.00 58.45 ? 208 SER E CA 1 ATOM 7274 C C . SER E 3 193 ? 57.940 -7.575 -152.807 1.00 60.24 ? 208 SER E C 1 ATOM 7275 O O . SER E 3 193 ? 56.914 -7.544 -152.123 1.00 58.82 ? 208 SER E O 1 ATOM 7276 C CB . SER E 3 193 ? 57.552 -5.405 -154.006 1.00 61.22 ? 208 SER E CB 1 ATOM 7277 O OG . SER E 3 193 ? 58.045 -4.084 -154.165 1.00 72.25 ? 208 SER E OG 1 ATOM 7278 N N . ILE E 3 194 ? 58.540 -8.730 -153.159 1.00 56.33 ? 209 ILE E N 1 ATOM 7279 C CA . ILE E 3 194 ? 58.000 -10.027 -152.721 1.00 55.21 ? 209 ILE E CA 1 ATOM 7280 C C . ILE E 3 194 ? 58.807 -10.469 -151.485 1.00 59.44 ? 209 ILE E C 1 ATOM 7281 O O . ILE E 3 194 ? 60.037 -10.547 -151.547 1.00 60.37 ? 209 ILE E O 1 ATOM 7282 C CB . ILE E 3 194 ? 57.954 -11.099 -153.853 1.00 58.30 ? 209 ILE E CB 1 ATOM 7283 C CG1 . ILE E 3 194 ? 57.139 -10.587 -155.067 1.00 57.38 ? 209 ILE E CG1 1 ATOM 7284 C CG2 . ILE E 3 194 ? 57.378 -12.430 -153.332 1.00 58.34 ? 209 ILE E CG2 1 ATOM 7285 C CD1 . ILE E 3 194 ? 57.446 -11.268 -156.375 1.00 64.02 ? 209 ILE E CD1 1 ATOM 7286 N N . ILE E 3 195 ? 58.111 -10.698 -150.351 1.00 55.07 ? 210 ILE E N 1 ATOM 7287 C CA . ILE E 3 195 ? 58.747 -11.080 -149.084 1.00 55.87 ? 210 ILE E CA 1 ATOM 7288 C C . ILE E 3 195 ? 58.070 -12.323 -148.459 1.00 59.38 ? 210 ILE E C 1 ATOM 7289 O O . ILE E 3 195 ? 56.848 -12.453 -148.544 1.00 56.86 ? 210 ILE E O 1 ATOM 7290 C CB . ILE E 3 195 ? 58.806 -9.893 -148.068 1.00 58.50 ? 210 ILE E CB 1 ATOM 7291 C CG1 . ILE E 3 195 ? 57.434 -9.214 -147.850 1.00 56.37 ? 210 ILE E CG1 1 ATOM 7292 C CG2 . ILE E 3 195 ? 59.879 -8.873 -148.459 1.00 60.35 ? 210 ILE E CG2 1 ATOM 7293 C CD1 . ILE E 3 195 ? 56.771 -9.541 -146.524 1.00 57.75 ? 210 ILE E CD1 1 ATOM 7294 N N . PRO E 3 196 ? 58.833 -13.243 -147.817 1.00 58.28 ? 211 PRO E N 1 ATOM 7295 C CA . PRO E 3 196 ? 58.185 -14.406 -147.187 1.00 61.86 ? 211 PRO E CA 1 ATOM 7296 C C . PRO E 3 196 ? 57.712 -14.070 -145.771 1.00 87.24 ? 211 PRO E C 1 ATOM 7297 O O . PRO E 3 196 ? 57.045 -14.869 -145.118 1.00 49.39 ? 211 PRO E O 1 ATOM 7298 C CB . PRO E 3 196 ? 59.285 -15.474 -147.193 1.00 65.52 ? 211 PRO E CB 1 ATOM 7299 C CG . PRO E 3 196 ? 60.581 -14.720 -147.362 1.00 70.03 ? 211 PRO E CG 1 ATOM 7300 C CD . PRO E 3 196 ? 60.294 -13.266 -147.601 1.00 63.06 ? 211 PRO E CD 1 ATOM 7301 N N . GLY F 4 2 ? 17.980 -4.224 -135.173 1.00 20.81 ? 3 GLY F N 1 ATOM 7302 C CA . GLY F 4 2 ? 18.932 -3.850 -134.135 1.00 19.05 ? 3 GLY F CA 1 ATOM 7303 C C . GLY F 4 2 ? 19.056 -2.354 -133.930 1.00 20.38 ? 3 GLY F C 1 ATOM 7304 O O . GLY F 4 2 ? 18.149 -1.594 -134.283 1.00 20.57 ? 3 GLY F O 1 ATOM 7305 N N . VAL F 4 3 ? 20.181 -1.924 -133.338 1.00 14.17 ? 4 VAL F N 1 ATOM 7306 C CA . VAL F 4 3 ? 20.466 -0.506 -133.099 1.00 12.51 ? 4 VAL F CA 1 ATOM 7307 C C . VAL F 4 3 ? 20.821 0.137 -134.447 1.00 16.49 ? 4 VAL F C 1 ATOM 7308 O O . VAL F 4 3 ? 21.560 -0.460 -135.235 1.00 16.47 ? 4 VAL F O 1 ATOM 7309 C CB . VAL F 4 3 ? 21.583 -0.307 -132.036 1.00 13.85 ? 4 VAL F CB 1 ATOM 7310 C CG1 . VAL F 4 3 ? 21.968 1.168 -131.875 1.00 12.91 ? 4 VAL F CG1 1 ATOM 7311 C CG2 . VAL F 4 3 ? 21.176 -0.898 -130.696 1.00 12.97 ? 4 VAL F CG2 1 ATOM 7312 N N . THR F 4 4 ? 20.253 1.325 -134.724 1.00 13.25 ? 5 THR F N 1 ATOM 7313 C CA . THR F 4 4 ? 20.532 2.078 -135.948 1.00 13.22 ? 5 THR F CA 1 ATOM 7314 C C . THR F 4 4 ? 21.191 3.392 -135.549 1.00 16.39 ? 5 THR F C 1 ATOM 7315 O O . THR F 4 4 ? 20.958 3.891 -134.451 1.00 15.72 ? 5 THR F O 1 ATOM 7316 C CB . THR F 4 4 ? 19.273 2.260 -136.823 1.00 22.11 ? 5 THR F CB 1 ATOM 7317 O OG1 . THR F 4 4 ? 18.258 2.938 -136.088 1.00 20.56 ? 5 THR F OG1 1 ATOM 7318 C CG2 . THR F 4 4 ? 18.729 0.933 -137.355 1.00 19.31 ? 5 THR F CG2 1 ATOM 7319 N N . GLN F 4 5 ? 22.065 3.910 -136.409 1.00 12.68 ? 6 GLN F N 1 ATOM 7320 C CA . GLN F 4 5 ? 22.818 5.139 -136.169 1.00 11.35 ? 6 GLN F CA 1 ATOM 7321 C C . GLN F 4 5 ? 22.906 5.963 -137.428 1.00 15.93 ? 6 GLN F C 1 ATOM 7322 O O . GLN F 4 5 ? 23.189 5.418 -138.501 1.00 14.55 ? 6 GLN F O 1 ATOM 7323 C CB . GLN F 4 5 ? 24.234 4.829 -135.657 1.00 11.47 ? 6 GLN F CB 1 ATOM 7324 C CG . GLN F 4 5 ? 24.314 4.514 -134.162 1.00 11.99 ? 6 GLN F CG 1 ATOM 7325 C CD . GLN F 4 5 ? 25.755 4.401 -133.718 1.00 21.34 ? 6 GLN F CD 1 ATOM 7326 O OE1 . GLN F 4 5 ? 26.280 3.310 -133.500 1.00 14.79 ? 6 GLN F OE1 1 ATOM 7327 N NE2 . GLN F 4 5 ? 26.439 5.527 -133.585 1.00 13.10 ? 6 GLN F NE2 1 ATOM 7328 N N . THR F 4 6 ? 22.673 7.285 -137.299 1.00 14.52 ? 7 THR F N 1 ATOM 7329 C CA . THR F 4 6 ? 22.747 8.224 -138.411 1.00 15.22 ? 7 THR F CA 1 ATOM 7330 C C . THR F 4 6 ? 23.567 9.469 -138.024 1.00 19.56 ? 7 THR F C 1 ATOM 7331 O O . THR F 4 6 ? 23.419 9.967 -136.906 1.00 19.81 ? 7 THR F O 1 ATOM 7332 C CB . THR F 4 6 ? 21.351 8.632 -138.933 1.00 21.94 ? 7 THR F CB 1 ATOM 7333 O OG1 . THR F 4 6 ? 20.567 9.155 -137.866 1.00 26.24 ? 7 THR F OG1 1 ATOM 7334 C CG2 . THR F 4 6 ? 20.620 7.500 -139.622 1.00 20.30 ? 7 THR F CG2 1 ATOM 7335 N N . PRO F 4 7 ? 24.382 10.033 -138.948 1.00 14.92 ? 8 PRO F N 1 ATOM 7336 C CA . PRO F 4 7 ? 24.713 9.512 -140.290 1.00 14.46 ? 8 PRO F CA 1 ATOM 7337 C C . PRO F 4 7 ? 25.749 8.397 -140.170 1.00 18.18 ? 8 PRO F C 1 ATOM 7338 O O . PRO F 4 7 ? 26.299 8.201 -139.093 1.00 15.69 ? 8 PRO F O 1 ATOM 7339 C CB . PRO F 4 7 ? 25.262 10.757 -141.008 1.00 16.04 ? 8 PRO F CB 1 ATOM 7340 C CG . PRO F 4 7 ? 25.935 11.551 -139.909 1.00 20.29 ? 8 PRO F CG 1 ATOM 7341 C CD . PRO F 4 7 ? 25.174 11.245 -138.624 1.00 15.96 ? 8 PRO F CD 1 ATOM 7342 N N . LYS F 4 8 ? 26.025 7.673 -141.254 1.00 16.78 ? 9 LYS F N 1 ATOM 7343 C CA . LYS F 4 8 ? 27.060 6.638 -141.264 1.00 16.79 ? 9 LYS F CA 1 ATOM 7344 C C . LYS F 4 8 ? 28.439 7.279 -141.145 1.00 21.19 ? 9 LYS F C 1 ATOM 7345 O O . LYS F 4 8 ? 29.340 6.779 -140.453 1.00 20.64 ? 9 LYS F O 1 ATOM 7346 C CB . LYS F 4 8 ? 26.975 5.841 -142.573 1.00 20.58 ? 9 LYS F CB 1 ATOM 7347 C CG . LYS F 4 8 ? 26.444 4.435 -142.414 1.00 42.12 ? 9 LYS F CG 1 ATOM 7348 C CD . LYS F 4 8 ? 26.213 3.725 -143.757 1.00 55.21 ? 9 LYS F CD 1 ATOM 7349 C CE . LYS F 4 8 ? 27.440 3.039 -144.322 1.00 64.73 ? 9 LYS F CE 1 ATOM 7350 N NZ . LYS F 4 8 ? 28.072 2.090 -143.358 1.00 73.58 ? 9 LYS F NZ 1 ATOM 7351 N N . HIS F 4 9 ? 28.596 8.388 -141.862 1.00 18.92 ? 10 HIS F N 1 ATOM 7352 C CA . HIS F 4 9 ? 29.835 9.148 -141.967 1.00 18.46 ? 10 HIS F CA 1 ATOM 7353 C C . HIS F 4 9 ? 29.570 10.627 -141.805 1.00 22.70 ? 10 HIS F C 1 ATOM 7354 O O . HIS F 4 9 ? 28.471 11.097 -142.091 1.00 22.89 ? 10 HIS F O 1 ATOM 7355 C CB . HIS F 4 9 ? 30.491 8.869 -143.325 1.00 19.22 ? 10 HIS F CB 1 ATOM 7356 C CG . HIS F 4 9 ? 30.865 7.431 -143.507 1.00 22.71 ? 10 HIS F CG 1 ATOM 7357 N ND1 . HIS F 4 9 ? 32.099 6.950 -143.106 1.00 24.21 ? 10 HIS F ND1 1 ATOM 7358 C CD2 . HIS F 4 9 ? 30.124 6.402 -143.979 1.00 24.85 ? 10 HIS F CD2 1 ATOM 7359 C CE1 . HIS F 4 9 ? 32.080 5.658 -143.377 1.00 23.75 ? 10 HIS F CE1 1 ATOM 7360 N NE2 . HIS F 4 9 ? 30.910 5.285 -143.906 1.00 24.47 ? 10 HIS F NE2 1 ATOM 7361 N N . LEU F 4 10 ? 30.585 11.359 -141.345 1.00 19.22 ? 11 LEU F N 1 ATOM 7362 C CA . LEU F 4 10 ? 30.517 12.788 -141.099 1.00 19.03 ? 11 LEU F CA 1 ATOM 7363 C C . LEU F 4 10 ? 31.923 13.374 -141.229 1.00 21.43 ? 11 LEU F C 1 ATOM 7364 O O . LEU F 4 10 ? 32.839 12.968 -140.518 1.00 19.14 ? 11 LEU F O 1 ATOM 7365 C CB . LEU F 4 10 ? 29.931 13.004 -139.686 1.00 19.23 ? 11 LEU F CB 1 ATOM 7366 C CG . LEU F 4 10 ? 29.152 14.284 -139.361 1.00 24.83 ? 11 LEU F CG 1 ATOM 7367 C CD1 . LEU F 4 10 ? 28.010 14.553 -140.367 1.00 25.87 ? 11 LEU F CD1 1 ATOM 7368 C CD2 . LEU F 4 10 ? 28.518 14.151 -138.001 1.00 26.85 ? 11 LEU F CD2 1 ATOM 7369 N N . ILE F 4 11 ? 32.102 14.270 -142.199 1.00 18.87 ? 12 ILE F N 1 ATOM 7370 C CA . ILE F 4 11 ? 33.375 14.932 -142.459 1.00 18.97 ? 12 ILE F CA 1 ATOM 7371 C C . ILE F 4 11 ? 33.121 16.391 -142.191 1.00 23.90 ? 12 ILE F C 1 ATOM 7372 O O . ILE F 4 11 ? 32.279 16.995 -142.854 1.00 24.80 ? 12 ILE F O 1 ATOM 7373 C CB . ILE F 4 11 ? 33.966 14.640 -143.887 1.00 22.12 ? 12 ILE F CB 1 ATOM 7374 C CG1 . ILE F 4 11 ? 34.384 13.162 -144.051 1.00 22.34 ? 12 ILE F CG1 1 ATOM 7375 C CG2 . ILE F 4 11 ? 35.168 15.546 -144.188 1.00 22.47 ? 12 ILE F CG2 1 ATOM 7376 C CD1 . ILE F 4 11 ? 33.272 12.228 -144.472 1.00 32.65 ? 12 ILE F CD1 1 ATOM 7377 N N . THR F 4 12 ? 33.804 16.947 -141.192 1.00 19.95 ? 13 THR F N 1 ATOM 7378 C CA . THR F 4 12 ? 33.570 18.330 -140.815 1.00 20.47 ? 13 THR F CA 1 ATOM 7379 C C . THR F 4 12 ? 34.881 19.074 -140.519 1.00 24.61 ? 13 THR F C 1 ATOM 7380 O O . THR F 4 12 ? 35.951 18.470 -140.488 1.00 24.38 ? 13 THR F O 1 ATOM 7381 C CB . THR F 4 12 ? 32.576 18.397 -139.633 1.00 30.38 ? 13 THR F CB 1 ATOM 7382 O OG1 . THR F 4 12 ? 32.225 19.766 -139.397 1.00 33.82 ? 13 THR F OG1 1 ATOM 7383 C CG2 . THR F 4 12 ? 33.110 17.740 -138.354 1.00 25.61 ? 13 THR F CG2 1 ATOM 7384 N N . ALA F 4 13 ? 34.767 20.398 -140.324 1.00 21.57 ? 14 ALA F N 1 ATOM 7385 C CA . ALA F 4 13 ? 35.854 21.320 -140.033 1.00 21.89 ? 14 ALA F CA 1 ATOM 7386 C C . ALA F 4 13 ? 36.028 21.519 -138.524 1.00 26.31 ? 14 ALA F C 1 ATOM 7387 O O . ALA F 4 13 ? 35.069 21.346 -137.771 1.00 25.33 ? 14 ALA F O 1 ATOM 7388 C CB . ALA F 4 13 ? 35.574 22.660 -140.705 1.00 22.99 ? 14 ALA F CB 1 ATOM 7389 N N . THR F 4 14 ? 37.246 21.898 -138.082 1.00 24.04 ? 15 THR F N 1 ATOM 7390 C CA . THR F 4 14 ? 37.509 22.201 -136.667 1.00 24.22 ? 15 THR F CA 1 ATOM 7391 C C . THR F 4 14 ? 36.660 23.413 -136.234 1.00 28.89 ? 15 THR F C 1 ATOM 7392 O O . THR F 4 14 ? 36.444 24.331 -137.035 1.00 28.91 ? 15 THR F O 1 ATOM 7393 C CB . THR F 4 14 ? 39.000 22.463 -136.399 1.00 32.14 ? 15 THR F CB 1 ATOM 7394 O OG1 . THR F 4 14 ? 39.536 23.280 -137.437 1.00 33.38 ? 15 THR F OG1 1 ATOM 7395 C CG2 . THR F 4 14 ? 39.809 21.188 -136.236 1.00 29.39 ? 15 THR F CG2 1 ATOM 7396 N N . GLY F 4 15 ? 36.184 23.389 -134.989 1.00 25.83 ? 16 GLY F N 1 ATOM 7397 C CA . GLY F 4 15 ? 35.350 24.444 -134.423 1.00 26.51 ? 16 GLY F CA 1 ATOM 7398 C C . GLY F 4 15 ? 33.864 24.281 -134.694 1.00 31.52 ? 16 GLY F C 1 ATOM 7399 O O . GLY F 4 15 ? 33.051 25.016 -134.131 1.00 32.53 ? 16 GLY F O 1 ATOM 7400 N N . GLN F 4 16 ? 33.490 23.325 -135.558 1.00 27.20 ? 17 GLN F N 1 ATOM 7401 C CA . GLN F 4 16 ? 32.091 23.060 -135.899 1.00 26.41 ? 17 GLN F CA 1 ATOM 7402 C C . GLN F 4 16 ? 31.396 22.214 -134.819 1.00 28.23 ? 17 GLN F C 1 ATOM 7403 O O . GLN F 4 16 ? 32.045 21.689 -133.912 1.00 27.22 ? 17 GLN F O 1 ATOM 7404 C CB . GLN F 4 16 ? 31.992 22.369 -137.271 1.00 27.79 ? 17 GLN F CB 1 ATOM 7405 C CG . GLN F 4 16 ? 32.413 23.251 -138.443 1.00 52.28 ? 17 GLN F CG 1 ATOM 7406 C CD . GLN F 4 16 ? 31.269 24.087 -138.945 1.00 81.59 ? 17 GLN F CD 1 ATOM 7407 O OE1 . GLN F 4 16 ? 30.984 25.172 -138.424 1.00 80.13 ? 17 GLN F OE1 1 ATOM 7408 N NE2 . GLN F 4 16 ? 30.583 23.590 -139.965 1.00 75.48 ? 17 GLN F NE2 1 ATOM 7409 N N . ARG F 4 17 ? 30.080 22.085 -134.868 1.00 24.09 ? 18 ARG F N 1 ATOM 7410 C CA . ARG F 4 17 ? 29.275 21.289 -133.933 1.00 22.38 ? 18 ARG F CA 1 ATOM 7411 C C . ARG F 4 17 ? 28.549 20.189 -134.671 1.00 24.35 ? 18 ARG F C 1 ATOM 7412 O O . ARG F 4 17 ? 28.100 20.408 -135.720 1.00 24.80 ? 18 ARG F O 1 ATOM 7413 C CB . ARG F 4 17 ? 28.262 22.154 -133.202 1.00 22.55 ? 18 ARG F CB 1 ATOM 7414 N N . VAL F 4 18 ? 28.451 19.000 -134.129 1.00 19.00 ? 19 VAL F N 1 ATOM 7415 C CA . VAL F 4 18 ? 27.773 17.891 -134.796 1.00 17.80 ? 19 VAL F CA 1 ATOM 7416 C C . VAL F 4 18 ? 26.846 17.149 -133.891 1.00 20.79 ? 19 VAL F C 1 ATOM 7417 O O . VAL F 4 18 ? 27.027 17.126 -132.722 1.00 20.53 ? 19 VAL F O 1 ATOM 7418 C CB . VAL F 4 18 ? 28.750 16.846 -135.407 1.00 20.93 ? 19 VAL F CB 1 ATOM 7419 C CG1 . VAL F 4 18 ? 29.535 17.413 -136.540 1.00 20.87 ? 19 VAL F CG1 1 ATOM 7420 C CG2 . VAL F 4 18 ? 29.651 16.223 -134.384 1.00 20.01 ? 19 VAL F CG2 1 ATOM 7421 N N . THR F 4 19 ? 25.852 16.531 -134.476 1.00 16.93 ? 20 THR F N 1 ATOM 7422 C CA . THR F 4 19 ? 24.888 15.725 -133.750 1.00 16.39 ? 20 THR F CA 1 ATOM 7423 C C . THR F 4 19 ? 24.858 14.359 -134.346 1.00 21.39 ? 20 THR F C 1 ATOM 7424 O O . THR F 4 19 ? 24.773 14.223 -135.510 1.00 21.52 ? 20 THR F O 1 ATOM 7425 C CB . THR F 4 19 ? 23.480 16.305 -133.813 1.00 22.03 ? 20 THR F CB 1 ATOM 7426 O OG1 . THR F 4 19 ? 23.467 17.556 -133.192 1.00 20.21 ? 20 THR F OG1 1 ATOM 7427 C CG2 . THR F 4 19 ? 22.548 15.455 -133.079 1.00 20.36 ? 20 THR F CG2 1 ATOM 7428 N N . LEU F 4 20 ? 24.938 13.353 -133.512 1.00 18.46 ? 21 LEU F N 1 ATOM 7429 C CA . LEU F 4 20 ? 24.900 11.962 -133.931 1.00 18.43 ? 21 LEU F CA 1 ATOM 7430 C C . LEU F 4 20 ? 23.634 11.373 -133.375 1.00 21.00 ? 21 LEU F C 1 ATOM 7431 O O . LEU F 4 20 ? 23.301 11.593 -132.271 1.00 18.56 ? 21 LEU F O 1 ATOM 7432 C CB . LEU F 4 20 ? 26.142 11.170 -133.485 1.00 18.45 ? 21 LEU F CB 1 ATOM 7433 C CG . LEU F 4 20 ? 27.557 11.749 -133.544 1.00 23.25 ? 21 LEU F CG 1 ATOM 7434 C CD1 . LEU F 4 20 ? 28.574 10.787 -133.055 1.00 22.62 ? 21 LEU F CD1 1 ATOM 7435 C CD2 . LEU F 4 20 ? 27.992 12.305 -134.862 1.00 26.88 ? 21 LEU F CD2 1 ATOM 7436 N N . ARG F 4 21 ? 22.911 10.647 -134.192 1.00 18.95 ? 22 ARG F N 1 ATOM 7437 C CA . ARG F 4 21 ? 21.648 10.086 -133.720 1.00 19.41 ? 22 ARG F CA 1 ATOM 7438 C C . ARG F 4 21 ? 21.734 8.588 -133.578 1.00 23.45 ? 22 ARG F C 1 ATOM 7439 O O . ARG F 4 21 ? 22.492 7.925 -134.278 1.00 23.42 ? 22 ARG F O 1 ATOM 7440 C CB . ARG F 4 21 ? 20.480 10.480 -134.636 1.00 20.50 ? 22 ARG F CB 1 ATOM 7441 C CG . ARG F 4 21 ? 20.060 11.916 -134.392 1.00 32.02 ? 22 ARG F CG 1 ATOM 7442 C CD . ARG F 4 21 ? 19.081 12.445 -135.416 1.00 43.38 ? 22 ARG F CD 1 ATOM 7443 N NE . ARG F 4 21 ? 18.674 13.813 -135.089 1.00 47.32 ? 22 ARG F NE 1 ATOM 7444 C CZ . ARG F 4 21 ? 19.299 14.910 -135.511 1.00 59.97 ? 22 ARG F CZ 1 ATOM 7445 N NH1 . ARG F 4 21 ? 20.368 14.815 -136.297 1.00 43.46 1 22 ARG F NH1 1 ATOM 7446 N NH2 . ARG F 4 21 ? 18.861 16.110 -135.149 1.00 50.73 ? 22 ARG F NH2 1 ATOM 7447 N N . CYS F 4 22 ? 20.975 8.064 -132.640 1.00 19.75 ? 23 CYS F N 1 ATOM 7448 C CA . CYS F 4 22 ? 20.944 6.646 -132.401 1.00 19.63 ? 23 CYS F CA 1 ATOM 7449 C C . CYS F 4 22 ? 19.540 6.188 -132.123 1.00 21.47 ? 23 CYS F C 1 ATOM 7450 O O . CYS F 4 22 ? 18.922 6.696 -131.198 1.00 22.43 ? 23 CYS F O 1 ATOM 7451 C CB . CYS F 4 22 ? 21.869 6.296 -131.244 1.00 20.46 ? 23 CYS F CB 1 ATOM 7452 S SG . CYS F 4 22 ? 21.583 4.658 -130.534 1.00 24.85 ? 23 CYS F SG 1 ATOM 7453 N N . SER F 4 23 ? 19.071 5.176 -132.846 1.00 15.98 ? 24 SER F N 1 ATOM 7454 C CA . SER F 4 23 ? 17.793 4.547 -132.536 1.00 15.51 ? 24 SER F CA 1 ATOM 7455 C C . SER F 4 23 ? 18.078 3.167 -131.933 1.00 17.61 ? 24 SER F C 1 ATOM 7456 O O . SER F 4 23 ? 18.556 2.272 -132.632 1.00 18.06 ? 24 SER F O 1 ATOM 7457 C CB . SER F 4 23 ? 16.872 4.467 -133.748 1.00 20.18 ? 24 SER F CB 1 ATOM 7458 O OG . SER F 4 23 ? 16.481 5.761 -134.174 1.00 34.03 ? 24 SER F OG 1 ATOM 7459 N N . PRO F 4 24 ? 17.864 2.999 -130.612 1.00 12.17 ? 25 PRO F N 1 ATOM 7460 C CA . PRO F 4 24 ? 18.110 1.686 -129.968 1.00 12.01 ? 25 PRO F CA 1 ATOM 7461 C C . PRO F 4 24 ? 17.228 0.541 -130.491 1.00 16.18 ? 25 PRO F C 1 ATOM 7462 O O . PRO F 4 24 ? 16.332 0.770 -131.306 1.00 16.17 ? 25 PRO F O 1 ATOM 7463 C CB . PRO F 4 24 ? 17.755 1.955 -128.497 1.00 13.03 ? 25 PRO F CB 1 ATOM 7464 C CG . PRO F 4 24 ? 16.880 3.129 -128.510 1.00 17.05 ? 25 PRO F CG 1 ATOM 7465 C CD . PRO F 4 24 ? 17.359 3.982 -129.635 1.00 12.66 ? 25 PRO F CD 1 ATOM 7466 N N . ARG F 4 25 ? 17.487 -0.704 -130.014 1.00 12.70 ? 26 ARG F N 1 ATOM 7467 C CA . ARG F 4 25 ? 16.670 -1.876 -130.347 1.00 13.36 ? 26 ARG F CA 1 ATOM 7468 C C . ARG F 4 25 ? 15.251 -1.638 -129.864 1.00 18.96 ? 26 ARG F C 1 ATOM 7469 O O . ARG F 4 25 ? 15.089 -1.025 -128.808 1.00 18.71 ? 26 ARG F O 1 ATOM 7470 C CB . ARG F 4 25 ? 17.210 -3.155 -129.670 1.00 12.22 ? 26 ARG F CB 1 ATOM 7471 C CG . ARG F 4 25 ? 18.615 -3.619 -130.068 1.00 15.36 ? 26 ARG F CG 1 ATOM 7472 C CD . ARG F 4 25 ? 18.884 -5.055 -129.619 1.00 25.51 ? 26 ARG F CD 1 ATOM 7473 N NE . ARG F 4 25 ? 18.593 -5.266 -128.195 1.00 28.15 ? 26 ARG F NE 1 ATOM 7474 C CZ . ARG F 4 25 ? 18.385 -6.452 -127.623 1.00 35.54 ? 26 ARG F CZ 1 ATOM 7475 N NH1 . ARG F 4 25 ? 18.473 -7.569 -128.337 1.00 15.43 1 26 ARG F NH1 1 ATOM 7476 N NH2 . ARG F 4 25 ? 18.121 -6.532 -126.326 1.00 21.00 ? 26 ARG F NH2 1 ATOM 7477 N N . SER F 4 26 ? 14.224 -2.115 -130.594 1.00 17.77 ? 27 SER F N 1 ATOM 7478 C CA . SER F 4 26 ? 12.839 -1.988 -130.112 1.00 18.47 ? 27 SER F CA 1 ATOM 7479 C C . SER F 4 26 ? 12.733 -2.677 -128.749 1.00 21.44 ? 27 SER F C 1 ATOM 7480 O O . SER F 4 26 ? 13.221 -3.802 -128.599 1.00 20.45 ? 27 SER F O 1 ATOM 7481 C CB . SER F 4 26 ? 11.855 -2.612 -131.099 1.00 24.42 ? 27 SER F CB 1 ATOM 7482 O OG . SER F 4 26 ? 12.098 -2.188 -132.430 1.00 39.43 ? 27 SER F OG 1 ATOM 7483 N N . GLY F 4 27 ? 12.187 -1.971 -127.762 1.00 17.89 ? 28 GLY F N 1 ATOM 7484 C CA . GLY F 4 27 ? 12.042 -2.491 -126.404 1.00 17.48 ? 28 GLY F CA 1 ATOM 7485 C C . GLY F 4 27 ? 13.175 -2.149 -125.448 1.00 20.09 ? 28 GLY F C 1 ATOM 7486 O O . GLY F 4 27 ? 13.031 -2.357 -124.241 1.00 19.76 ? 28 GLY F O 1 ATOM 7487 N N . ASP F 4 28 ? 14.317 -1.640 -125.972 1.00 15.04 ? 29 ASP F N 1 ATOM 7488 C CA . ASP F 4 28 ? 15.477 -1.244 -125.160 1.00 13.37 ? 29 ASP F CA 1 ATOM 7489 C C . ASP F 4 28 ? 15.268 0.177 -124.670 1.00 16.20 ? 29 ASP F C 1 ATOM 7490 O O . ASP F 4 28 ? 14.955 1.063 -125.464 1.00 16.09 ? 29 ASP F O 1 ATOM 7491 C CB . ASP F 4 28 ? 16.802 -1.383 -125.934 1.00 13.80 ? 29 ASP F CB 1 ATOM 7492 C CG . ASP F 4 28 ? 17.325 -2.801 -126.095 1.00 20.21 ? 29 ASP F CG 1 ATOM 7493 O OD1 . ASP F 4 28 ? 16.589 -3.752 -125.764 1.00 20.67 ? 29 ASP F OD1 1 ATOM 7494 O OD2 . ASP F 4 28 ? 18.470 -2.959 -126.559 1.00 27.75 -1 29 ASP F OD2 1 ATOM 7495 N N . LEU F 4 29 ? 15.425 0.385 -123.351 1.00 12.74 ? 37 LEU F N 1 ATOM 7496 C CA . LEU F 4 29 ? 15.174 1.662 -122.668 1.00 12.02 ? 37 LEU F CA 1 ATOM 7497 C C . LEU F 4 29 ? 16.462 2.395 -122.304 1.00 14.13 ? 37 LEU F C 1 ATOM 7498 O O . LEU F 4 29 ? 16.456 3.624 -122.175 1.00 14.30 ? 37 LEU F O 1 ATOM 7499 C CB . LEU F 4 29 ? 14.355 1.381 -121.395 1.00 12.08 ? 37 LEU F CB 1 ATOM 7500 C CG . LEU F 4 29 ? 12.809 1.386 -121.488 1.00 14.44 ? 37 LEU F CG 1 ATOM 7501 C CD1 . LEU F 4 29 ? 12.277 0.574 -122.645 1.00 14.33 ? 37 LEU F CD1 1 ATOM 7502 C CD2 . LEU F 4 29 ? 12.204 0.900 -120.209 1.00 14.59 ? 37 LEU F CD2 1 ATOM 7503 N N . SER F 4 30 ? 17.565 1.644 -122.149 1.00 11.19 ? 38 SER F N 1 ATOM 7504 C CA . SER F 4 30 ? 18.866 2.200 -121.810 1.00 10.63 ? 38 SER F CA 1 ATOM 7505 C C . SER F 4 30 ? 19.732 2.342 -123.061 1.00 12.76 ? 38 SER F C 1 ATOM 7506 O O . SER F 4 30 ? 19.802 1.441 -123.886 1.00 12.01 ? 38 SER F O 1 ATOM 7507 C CB . SER F 4 30 ? 19.554 1.338 -120.762 1.00 11.93 ? 38 SER F CB 1 ATOM 7508 O OG . SER F 4 30 ? 20.659 1.999 -120.173 1.00 19.00 ? 38 SER F OG 1 ATOM 7509 N N . VAL F 4 31 ? 20.369 3.504 -123.201 1.00 11.66 ? 39 VAL F N 1 ATOM 7510 C CA . VAL F 4 31 ? 21.209 3.828 -124.341 1.00 11.73 ? 39 VAL F CA 1 ATOM 7511 C C . VAL F 4 31 ? 22.611 4.262 -123.829 1.00 14.88 ? 39 VAL F C 1 ATOM 7512 O O . VAL F 4 31 ? 22.727 4.875 -122.775 1.00 14.48 ? 39 VAL F O 1 ATOM 7513 C CB . VAL F 4 31 ? 20.504 4.863 -125.250 1.00 15.60 ? 39 VAL F CB 1 ATOM 7514 C CG1 . VAL F 4 31 ? 20.396 6.246 -124.598 1.00 15.59 ? 39 VAL F CG1 1 ATOM 7515 C CG2 . VAL F 4 31 ? 21.161 4.942 -126.609 1.00 15.86 ? 39 VAL F CG2 1 ATOM 7516 N N . TYR F 4 32 ? 23.665 3.851 -124.549 1.00 11.21 ? 40 TYR F N 1 ATOM 7517 C CA . TYR F 4 32 ? 25.065 4.098 -124.210 1.00 10.30 ? 40 TYR F CA 1 ATOM 7518 C C . TYR F 4 32 ? 25.827 4.626 -125.406 1.00 12.11 ? 40 TYR F C 1 ATOM 7519 O O . TYR F 4 32 ? 25.595 4.191 -126.535 1.00 12.92 ? 40 TYR F O 1 ATOM 7520 C CB . TYR F 4 32 ? 25.751 2.799 -123.738 1.00 10.89 ? 40 TYR F CB 1 ATOM 7521 C CG . TYR F 4 32 ? 25.036 2.032 -122.650 1.00 11.87 ? 40 TYR F CG 1 ATOM 7522 C CD1 . TYR F 4 32 ? 23.962 1.197 -122.948 1.00 13.43 ? 40 TYR F CD1 1 ATOM 7523 C CD2 . TYR F 4 32 ? 25.469 2.094 -121.329 1.00 12.30 ? 40 TYR F CD2 1 ATOM 7524 C CE1 . TYR F 4 32 ? 23.273 0.522 -121.947 1.00 14.19 ? 40 TYR F CE1 1 ATOM 7525 C CE2 . TYR F 4 32 ? 24.819 1.380 -120.324 1.00 13.14 ? 40 TYR F CE2 1 ATOM 7526 C CZ . TYR F 4 32 ? 23.718 0.598 -120.638 1.00 19.32 ? 40 TYR F CZ 1 ATOM 7527 O OH . TYR F 4 32 ? 23.071 -0.121 -119.665 1.00 21.28 ? 40 TYR F OH 1 ATOM 7528 N N . TRP F 4 33 ? 26.761 5.540 -125.154 1.00 9.04 ? 41 TRP F N 1 ATOM 7529 C CA . TRP F 4 33 ? 27.627 6.091 -126.180 1.00 8.39 ? 41 TRP F CA 1 ATOM 7530 C C . TRP F 4 33 ? 29.055 5.738 -125.849 1.00 11.55 ? 41 TRP F C 1 ATOM 7531 O O . TRP F 4 33 ? 29.480 5.841 -124.694 1.00 10.58 ? 41 TRP F O 1 ATOM 7532 C CB . TRP F 4 33 ? 27.441 7.596 -126.328 1.00 7.30 ? 41 TRP F CB 1 ATOM 7533 C CG . TRP F 4 33 ? 26.183 7.956 -127.060 1.00 7.28 ? 41 TRP F CG 1 ATOM 7534 C CD1 . TRP F 4 33 ? 24.987 8.308 -126.509 1.00 8.25 ? 41 TRP F CD1 1 ATOM 7535 C CD2 . TRP F 4 33 ? 25.998 7.997 -128.483 1.00 7.12 ? 41 TRP F CD2 1 ATOM 7536 N NE1 . TRP F 4 33 ? 24.073 8.586 -127.498 1.00 8.06 ? 41 TRP F NE1 1 ATOM 7537 C CE2 . TRP F 4 33 ? 24.668 8.413 -128.720 1.00 8.46 ? 41 TRP F CE2 1 ATOM 7538 C CE3 . TRP F 4 33 ? 26.836 7.730 -129.589 1.00 7.37 ? 41 TRP F CE3 1 ATOM 7539 C CZ2 . TRP F 4 33 ? 24.155 8.582 -130.014 1.00 8.11 ? 41 TRP F CZ2 1 ATOM 7540 C CZ3 . TRP F 4 33 ? 26.325 7.888 -130.869 1.00 7.81 ? 41 TRP F CZ3 1 ATOM 7541 C CH2 . TRP F 4 33 ? 25.003 8.315 -131.073 1.00 8.06 ? 41 TRP F CH2 1 ATOM 7542 N N . TYR F 4 34 ? 29.779 5.265 -126.872 1.00 10.64 ? 42 TYR F N 1 ATOM 7543 C CA . TYR F 4 34 ? 31.178 4.861 -126.776 1.00 11.10 ? 42 TYR F CA 1 ATOM 7544 C C . TYR F 4 34 ? 31.980 5.480 -127.900 1.00 15.84 ? 42 TYR F C 1 ATOM 7545 O O . TYR F 4 34 ? 31.479 5.600 -129.022 1.00 16.96 ? 42 TYR F O 1 ATOM 7546 C CB . TYR F 4 34 ? 31.305 3.326 -126.836 1.00 12.40 ? 42 TYR F CB 1 ATOM 7547 C CG . TYR F 4 34 ? 30.799 2.605 -125.606 1.00 13.74 ? 42 TYR F CG 1 ATOM 7548 C CD1 . TYR F 4 34 ? 29.482 2.155 -125.528 1.00 14.78 ? 42 TYR F CD1 1 ATOM 7549 C CD2 . TYR F 4 34 ? 31.656 2.303 -124.551 1.00 14.80 ? 42 TYR F CD2 1 ATOM 7550 C CE1 . TYR F 4 34 ? 29.017 1.464 -124.407 1.00 13.63 ? 42 TYR F CE1 1 ATOM 7551 C CE2 . TYR F 4 34 ? 31.203 1.615 -123.425 1.00 15.88 ? 42 TYR F CE2 1 ATOM 7552 C CZ . TYR F 4 34 ? 29.885 1.186 -123.361 1.00 19.75 ? 42 TYR F CZ 1 ATOM 7553 O OH . TYR F 4 34 ? 29.442 0.501 -122.252 1.00 15.11 ? 42 TYR F OH 1 ATOM 7554 N N . GLN F 4 35 ? 33.226 5.848 -127.605 1.00 11.11 ? 43 GLN F N 1 ATOM 7555 C CA . GLN F 4 35 ? 34.159 6.411 -128.580 1.00 10.09 ? 43 GLN F CA 1 ATOM 7556 C C . GLN F 4 35 ? 35.300 5.443 -128.827 1.00 14.06 ? 43 GLN F C 1 ATOM 7557 O O . GLN F 4 35 ? 36.004 5.068 -127.893 1.00 12.04 ? 43 GLN F O 1 ATOM 7558 C CB . GLN F 4 35 ? 34.707 7.766 -128.109 1.00 10.74 ? 43 GLN F CB 1 ATOM 7559 C CG . GLN F 4 35 ? 35.539 8.485 -129.161 1.00 18.97 ? 43 GLN F CG 1 ATOM 7560 C CD . GLN F 4 35 ? 36.503 9.485 -128.562 1.00 34.60 ? 43 GLN F CD 1 ATOM 7561 O OE1 . GLN F 4 35 ? 37.390 9.140 -127.762 1.00 31.24 ? 43 GLN F OE1 1 ATOM 7562 N NE2 . GLN F 4 35 ? 36.394 10.741 -128.989 1.00 21.97 ? 43 GLN F NE2 1 ATOM 7563 N N . GLN F 4 36 ? 35.493 5.067 -130.095 1.00 12.80 ? 44 GLN F N 1 ATOM 7564 C CA . GLN F 4 36 ? 36.598 4.225 -130.516 1.00 13.69 ? 44 GLN F CA 1 ATOM 7565 C C . GLN F 4 36 ? 37.594 5.057 -131.320 1.00 21.72 ? 44 GLN F C 1 ATOM 7566 O O . GLN F 4 36 ? 37.317 5.425 -132.458 1.00 22.18 ? 44 GLN F O 1 ATOM 7567 C CB . GLN F 4 36 ? 36.138 2.991 -131.312 1.00 14.79 ? 44 GLN F CB 1 ATOM 7568 C CG . GLN F 4 36 ? 37.295 2.003 -131.568 1.00 18.04 ? 44 GLN F CG 1 ATOM 7569 C CD . GLN F 4 36 ? 36.832 0.682 -132.115 1.00 30.20 ? 44 GLN F CD 1 ATOM 7570 O OE1 . GLN F 4 36 ? 36.104 0.605 -133.108 1.00 24.73 ? 44 GLN F OE1 1 ATOM 7571 N NE2 . GLN F 4 36 ? 37.277 -0.397 -131.497 1.00 23.16 ? 44 GLN F NE2 1 ATOM 7572 N N . SER F 4 37 ? 38.745 5.269 -130.738 1.00 21.26 ? 45 SER F N 1 ATOM 7573 C CA . SER F 4 37 ? 39.839 5.992 -131.309 1.00 22.67 ? 45 SER F CA 1 ATOM 7574 C C . SER F 4 37 ? 41.060 5.100 -131.522 1.00 29.40 ? 45 SER F C 1 ATOM 7575 O O . SER F 4 37 ? 41.124 4.006 -131.029 1.00 27.84 ? 45 SER F O 1 ATOM 7576 C CB . SER F 4 37 ? 40.210 7.170 -130.436 1.00 26.01 ? 45 SER F CB 1 ATOM 7577 O OG . SER F 4 37 ? 40.781 6.757 -129.226 1.00 33.04 ? 45 SER F OG 1 ATOM 7578 N N . LEU F 4 38 ? 41.977 5.554 -132.355 1.00 29.51 ? 46 LEU F N 1 ATOM 7579 C CA . LEU F 4 38 ? 43.309 4.961 -132.448 1.00 30.73 ? 46 LEU F CA 1 ATOM 7580 C C . LEU F 4 38 ? 44.136 5.126 -131.184 1.00 35.51 ? 46 LEU F C 1 ATOM 7581 O O . LEU F 4 38 ? 44.801 4.218 -130.766 1.00 35.37 ? 46 LEU F O 1 ATOM 7582 C CB . LEU F 4 38 ? 44.119 5.540 -133.614 1.00 31.22 ? 46 LEU F CB 1 ATOM 7583 C CG . LEU F 4 38 ? 43.496 5.870 -134.941 1.00 36.81 ? 46 LEU F CG 1 ATOM 7584 C CD1 . LEU F 4 38 ? 43.906 7.256 -135.368 1.00 37.23 ? 46 LEU F CD1 1 ATOM 7585 C CD2 . LEU F 4 38 ? 43.875 4.863 -135.995 1.00 41.16 ? 46 LEU F CD2 1 ATOM 7586 N N . ASP F 4 39 ? 44.097 6.306 -130.606 1.00 32.13 ? 47 ASP F N 1 ATOM 7587 C CA . ASP F 4 39 ? 44.849 6.552 -129.402 1.00 32.56 ? 47 ASP F CA 1 ATOM 7588 C C . ASP F 4 39 ? 44.428 5.796 -128.176 1.00 34.26 ? 47 ASP F C 1 ATOM 7589 O O . ASP F 4 39 ? 45.243 5.520 -127.360 1.00 34.44 ? 47 ASP F O 1 ATOM 7590 C CB . ASP F 4 39 ? 45.218 8.026 -129.137 1.00 35.68 ? 47 ASP F CB 1 ATOM 7591 C CG . ASP F 4 39 ? 44.039 8.943 -128.933 1.00 51.95 ? 47 ASP F CG 1 ATOM 7592 O OD1 . ASP F 4 39 ? 43.148 8.993 -129.781 1.00 53.35 ? 47 ASP F OD1 1 ATOM 7593 O OD2 . ASP F 4 39 ? 44.045 9.723 -127.961 1.00 58.19 ? 47 ASP F OD2 1 ATOM 7594 N N . GLN F 4 40 ? 43.141 5.582 -128.003 1.00 28.93 ? 48 GLN F N 1 ATOM 7595 C CA . GLN F 4 40 ? 42.630 4.964 -126.791 1.00 27.88 ? 48 GLN F CA 1 ATOM 7596 C C . GLN F 4 40 ? 41.768 3.728 -126.895 1.00 28.99 ? 48 GLN F C 1 ATOM 7597 O O . GLN F 4 40 ? 41.438 3.142 -125.907 1.00 28.78 ? 48 GLN F O 1 ATOM 7598 C CB . GLN F 4 40 ? 41.841 5.982 -126.016 1.00 29.18 ? 48 GLN F CB 1 ATOM 7599 C CG . GLN F 4 40 ? 42.501 7.321 -125.928 1.00 42.96 ? 48 GLN F CG 1 ATOM 7600 C CD . GLN F 4 40 ? 42.289 7.928 -124.587 1.00 58.71 ? 48 GLN F CD 1 ATOM 7601 O OE1 . GLN F 4 40 ? 41.312 8.608 -124.362 1.00 55.55 ? 48 GLN F OE1 1 ATOM 7602 N NE2 . GLN F 4 40 ? 43.190 7.656 -123.678 1.00 48.21 ? 48 GLN F NE2 1 ATOM 7603 N N . GLY F 4 41 ? 41.359 3.370 -128.082 1.00 22.67 ? 49 GLY F N 1 ATOM 7604 C CA . GLY F 4 41 ? 40.414 2.270 -128.262 1.00 21.41 ? 49 GLY F CA 1 ATOM 7605 C C . GLY F 4 41 ? 39.021 2.657 -127.777 1.00 23.86 ? 49 GLY F C 1 ATOM 7606 O O . GLY F 4 41 ? 38.692 3.848 -127.749 1.00 23.62 ? 49 GLY F O 1 ATOM 7607 N N . LEU F 4 42 ? 38.197 1.669 -127.358 1.00 19.00 ? 50 LEU F N 1 ATOM 7608 C CA . LEU F 4 42 ? 36.823 1.921 -126.895 1.00 18.13 ? 50 LEU F CA 1 ATOM 7609 C C . LEU F 4 42 ? 36.751 2.529 -125.495 1.00 19.98 ? 50 LEU F C 1 ATOM 7610 O O . LEU F 4 42 ? 37.224 1.940 -124.519 1.00 19.33 ? 50 LEU F O 1 ATOM 7611 C CB . LEU F 4 42 ? 35.969 0.659 -126.940 1.00 18.12 ? 50 LEU F CB 1 ATOM 7612 C CG . LEU F 4 42 ? 35.411 0.311 -128.294 1.00 22.33 ? 50 LEU F CG 1 ATOM 7613 C CD1 . LEU F 4 42 ? 35.109 -1.163 -128.364 1.00 23.17 ? 50 LEU F CD1 1 ATOM 7614 C CD2 . LEU F 4 42 ? 34.185 1.169 -128.627 1.00 22.54 ? 50 LEU F CD2 1 ATOM 7615 N N . GLN F 4 43 ? 36.143 3.722 -125.414 1.00 14.98 ? 51 GLN F N 1 ATOM 7616 C CA . GLN F 4 43 ? 35.985 4.491 -124.191 1.00 13.98 ? 51 GLN F CA 1 ATOM 7617 C C . GLN F 4 43 ? 34.557 4.890 -124.025 1.00 16.13 ? 51 GLN F C 1 ATOM 7618 O O . GLN F 4 43 ? 33.931 5.384 -124.965 1.00 16.24 ? 51 GLN F O 1 ATOM 7619 C CB . GLN F 4 43 ? 36.881 5.744 -124.190 1.00 15.59 ? 51 GLN F CB 1 ATOM 7620 C CG . GLN F 4 43 ? 38.396 5.472 -124.154 1.00 26.21 ? 51 GLN F CG 1 ATOM 7621 C CD . GLN F 4 43 ? 38.854 4.798 -122.893 1.00 37.75 ? 51 GLN F CD 1 ATOM 7622 O OE1 . GLN F 4 43 ? 38.396 5.103 -121.782 1.00 30.62 ? 51 GLN F OE1 1 ATOM 7623 N NE2 . GLN F 4 43 ? 39.780 3.870 -123.040 1.00 33.30 ? 51 GLN F NE2 1 ATOM 7624 N N . PHE F 4 44 ? 34.047 4.703 -122.808 1.00 11.45 ? 52 PHE F N 1 ATOM 7625 C CA . PHE F 4 44 ? 32.691 5.045 -122.441 1.00 10.60 ? 52 PHE F CA 1 ATOM 7626 C C . PHE F 4 44 ? 32.509 6.566 -122.367 1.00 12.83 ? 52 PHE F C 1 ATOM 7627 O O . PHE F 4 44 ? 33.367 7.271 -121.825 1.00 11.79 ? 52 PHE F O 1 ATOM 7628 C CB . PHE F 4 44 ? 32.318 4.384 -121.097 1.00 12.00 ? 52 PHE F CB 1 ATOM 7629 C CG . PHE F 4 44 ? 30.945 4.780 -120.599 1.00 12.78 ? 52 PHE F CG 1 ATOM 7630 C CD1 . PHE F 4 44 ? 29.799 4.414 -121.301 1.00 15.51 ? 52 PHE F CD1 1 ATOM 7631 C CD2 . PHE F 4 44 ? 30.801 5.558 -119.457 1.00 14.08 ? 52 PHE F CD2 1 ATOM 7632 C CE1 . PHE F 4 44 ? 28.529 4.795 -120.852 1.00 15.94 ? 52 PHE F CE1 1 ATOM 7633 C CE2 . PHE F 4 44 ? 29.530 5.930 -119.000 1.00 16.88 ? 52 PHE F CE2 1 ATOM 7634 C CZ . PHE F 4 44 ? 28.404 5.537 -119.694 1.00 15.13 ? 52 PHE F CZ 1 ATOM 7635 N N . LEU F 4 45 ? 31.375 7.058 -122.904 1.00 9.11 ? 53 LEU F N 1 ATOM 7636 C CA . LEU F 4 45 ? 31.059 8.487 -122.864 1.00 8.47 ? 53 LEU F CA 1 ATOM 7637 C C . LEU F 4 45 ? 29.933 8.780 -121.864 1.00 9.32 ? 53 LEU F C 1 ATOM 7638 O O . LEU F 4 45 ? 30.166 9.438 -120.859 1.00 8.72 ? 53 LEU F O 1 ATOM 7639 C CB . LEU F 4 45 ? 30.695 9.045 -124.263 1.00 8.20 ? 53 LEU F CB 1 ATOM 7640 C CG . LEU F 4 45 ? 31.731 8.924 -125.378 1.00 10.02 ? 53 LEU F CG 1 ATOM 7641 C CD1 . LEU F 4 45 ? 31.156 9.407 -126.684 1.00 9.74 ? 53 LEU F CD1 1 ATOM 7642 C CD2 . LEU F 4 45 ? 33.052 9.681 -125.041 1.00 13.42 ? 53 LEU F CD2 1 ATOM 7643 N N . ILE F 4 46 ? 28.748 8.292 -122.119 1.00 8.58 ? 54 ILE F N 1 ATOM 7644 C CA . ILE F 4 46 ? 27.579 8.562 -121.333 1.00 8.59 ? 54 ILE F CA 1 ATOM 7645 C C . ILE F 4 46 ? 26.483 7.500 -121.528 1.00 10.53 ? 54 ILE F C 1 ATOM 7646 O O . ILE F 4 46 ? 26.323 6.990 -122.571 1.00 11.02 ? 54 ILE F O 1 ATOM 7647 C CB . ILE F 4 46 ? 27.056 9.968 -121.668 1.00 9.65 ? 54 ILE F CB 1 ATOM 7648 C CG1 . ILE F 4 46 ? 26.204 10.523 -120.552 1.00 9.57 ? 54 ILE F CG1 1 ATOM 7649 C CG2 . ILE F 4 46 ? 26.338 9.979 -122.987 1.00 10.58 ? 54 ILE F CG2 1 ATOM 7650 C CD1 . ILE F 4 46 ? 26.041 12.003 -120.579 1.00 10.97 ? 54 ILE F CD1 1 ATOM 7651 N N . GLN F 4 47 ? 25.731 7.235 -120.486 1.00 8.72 ? 55 GLN F N 1 ATOM 7652 C CA . GLN F 4 47 ? 24.515 6.423 -120.500 1.00 8.67 ? 55 GLN F CA 1 ATOM 7653 C C . GLN F 4 47 ? 23.228 7.223 -120.205 1.00 10.29 ? 55 GLN F C 1 ATOM 7654 O O . GLN F 4 47 ? 23.224 8.001 -119.339 1.00 10.56 ? 55 GLN F O 1 ATOM 7655 C CB . GLN F 4 47 ? 24.637 5.246 -119.529 1.00 9.04 ? 55 GLN F CB 1 ATOM 7656 C CG . GLN F 4 47 ? 23.386 4.451 -119.290 1.00 6.96 ? 55 GLN F CG 1 ATOM 7657 C CD . GLN F 4 47 ? 23.415 3.603 -118.044 1.00 12.82 ? 55 GLN F CD 1 ATOM 7658 O OE1 . GLN F 4 47 ? 24.112 3.841 -117.106 1.00 7.58 ? 55 GLN F OE1 1 ATOM 7659 N NE2 . GLN F 4 47 ? 22.608 2.601 -118.061 1.00 12.34 ? 55 GLN F NE2 1 ATOM 7660 N N . TYR F 4 48 ? 22.174 7.016 -120.969 1.00 9.12 ? 56 TYR F N 1 ATOM 7661 C CA . TYR F 4 48 ? 20.816 7.445 -120.644 1.00 9.10 ? 56 TYR F CA 1 ATOM 7662 C C . TYR F 4 48 ? 19.776 6.322 -120.421 1.00 10.65 ? 56 TYR F C 1 ATOM 7663 O O . TYR F 4 48 ? 19.769 5.360 -121.107 1.00 10.37 ? 56 TYR F O 1 ATOM 7664 C CB . TYR F 4 48 ? 20.293 8.454 -121.666 1.00 9.74 ? 56 TYR F CB 1 ATOM 7665 C CG . TYR F 4 48 ? 20.751 9.859 -121.409 1.00 10.41 ? 56 TYR F CG 1 ATOM 7666 C CD1 . TYR F 4 48 ? 22.049 10.211 -121.650 1.00 11.44 ? 56 TYR F CD1 1 ATOM 7667 C CD2 . TYR F 4 48 ? 19.894 10.826 -120.952 1.00 11.08 ? 56 TYR F CD2 1 ATOM 7668 C CE1 . TYR F 4 48 ? 22.494 11.463 -121.426 1.00 12.34 ? 56 TYR F CE1 1 ATOM 7669 C CE2 . TYR F 4 48 ? 20.348 12.092 -120.698 1.00 11.74 ? 56 TYR F CE2 1 ATOM 7670 C CZ . TYR F 4 48 ? 21.654 12.390 -120.947 1.00 20.99 ? 56 TYR F CZ 1 ATOM 7671 O OH . TYR F 4 48 ? 22.203 13.592 -120.727 1.00 27.11 ? 56 TYR F OH 1 ATOM 7672 N N . TYR F 4 49 ? 18.924 6.486 -119.422 1.00 9.54 ? 57 TYR F N 1 ATOM 7673 C CA . TYR F 4 49 ? 17.747 5.649 -119.158 1.00 9.47 ? 57 TYR F CA 1 ATOM 7674 C C . TYR F 4 49 ? 16.486 6.435 -118.942 1.00 12.20 ? 57 TYR F C 1 ATOM 7675 O O . TYR F 4 49 ? 16.439 7.225 -118.068 1.00 11.33 ? 57 TYR F O 1 ATOM 7676 C CB . TYR F 4 49 ? 17.981 4.774 -117.947 1.00 9.53 ? 57 TYR F CB 1 ATOM 7677 C CG . TYR F 4 49 ? 16.838 3.888 -117.501 1.00 9.49 ? 57 TYR F CG 1 ATOM 7678 C CD1 . TYR F 4 49 ? 16.397 2.846 -118.276 1.00 10.10 ? 57 TYR F CD1 1 ATOM 7679 C CD2 . TYR F 4 49 ? 16.231 4.084 -116.303 1.00 9.62 ? 57 TYR F CD2 1 ATOM 7680 C CE1 . TYR F 4 49 ? 15.384 2.042 -117.864 1.00 10.28 ? 57 TYR F CE1 1 ATOM 7681 C CE2 . TYR F 4 49 ? 15.225 3.270 -115.877 1.00 9.97 ? 57 TYR F CE2 1 ATOM 7682 C CZ . TYR F 4 49 ? 14.808 2.234 -116.666 1.00 12.62 ? 57 TYR F CZ 1 ATOM 7683 O OH . TYR F 4 49 ? 13.820 1.418 -116.266 1.00 11.82 ? 57 TYR F OH 1 ATOM 7684 N N . ASN F 4 50 ? 15.477 6.156 -119.749 1.00 11.10 ? 58 ASN F N 1 ATOM 7685 C CA . ASN F 4 50 ? 14.158 6.781 -119.722 1.00 11.18 ? 58 ASN F CA 1 ATOM 7686 C C . ASN F 4 50 ? 14.196 8.352 -119.782 1.00 13.29 ? 58 ASN F C 1 ATOM 7687 O O . ASN F 4 50 ? 13.478 9.009 -119.110 1.00 13.31 ? 58 ASN F O 1 ATOM 7688 C CB . ASN F 4 50 ? 13.293 6.296 -118.555 1.00 10.64 ? 58 ASN F CB 1 ATOM 7689 C CG . ASN F 4 50 ? 12.773 4.898 -118.708 1.00 15.29 ? 58 ASN F CG 1 ATOM 7690 O OD1 . ASN F 4 50 ? 12.559 4.412 -119.764 1.00 11.31 ? 58 ASN F OD1 1 ATOM 7691 N ND2 . ASN F 4 50 ? 12.549 4.276 -117.617 1.00 9.36 ? 58 ASN F ND2 1 ATOM 7692 N N . GLY F 4 51 ? 15.080 8.878 -120.598 1.00 10.56 ? 63 GLY F N 1 ATOM 7693 C CA . GLY F 4 51 ? 15.316 10.281 -120.779 1.00 10.79 ? 63 GLY F CA 1 ATOM 7694 C C . GLY F 4 51 ? 16.207 11.041 -119.826 1.00 14.44 ? 63 GLY F C 1 ATOM 7695 O O . GLY F 4 51 ? 16.362 12.188 -119.953 1.00 15.24 ? 63 GLY F O 1 ATOM 7696 N N . GLU F 4 52 ? 16.774 10.369 -118.868 1.00 11.94 ? 64 GLU F N 1 ATOM 7697 C CA . GLU F 4 52 ? 17.592 10.952 -117.859 1.00 11.73 ? 64 GLU F CA 1 ATOM 7698 C C . GLU F 4 52 ? 18.954 10.303 -117.720 1.00 13.24 ? 64 GLU F C 1 ATOM 7699 O O . GLU F 4 52 ? 19.102 9.166 -117.895 1.00 12.73 ? 64 GLU F O 1 ATOM 7700 C CB . GLU F 4 52 ? 16.799 10.923 -116.590 1.00 13.24 ? 64 GLU F CB 1 ATOM 7701 C CG . GLU F 4 52 ? 17.589 11.138 -115.360 1.00 28.07 ? 64 GLU F CG 1 ATOM 7702 C CD . GLU F 4 52 ? 16.749 11.176 -114.129 1.00 55.39 ? 64 GLU F CD 1 ATOM 7703 O OE1 . GLU F 4 52 ? 15.593 11.564 -114.263 1.00 53.00 ? 64 GLU F OE1 1 ATOM 7704 O OE2 . GLU F 4 52 ? 17.246 10.872 -113.039 1.00 45.95 -1 64 GLU F OE2 1 ATOM 7705 N N . GLU F 4 53 ? 19.967 11.096 -117.442 1.00 10.86 ? 65 GLU F N 1 ATOM 7706 C CA . GLU F 4 53 ? 21.354 10.681 -117.326 1.00 10.33 ? 65 GLU F CA 1 ATOM 7707 C C . GLU F 4 53 ? 21.725 9.767 -116.158 1.00 13.46 ? 65 GLU F C 1 ATOM 7708 O O . GLU F 4 53 ? 21.435 10.022 -115.051 1.00 13.00 ? 65 GLU F O 1 ATOM 7709 C CB . GLU F 4 53 ? 22.202 11.939 -117.329 1.00 11.10 ? 65 GLU F CB 1 ATOM 7710 C CG . GLU F 4 53 ? 23.689 11.787 -117.336 1.00 20.25 ? 65 GLU F CG 1 ATOM 7711 C CD . GLU F 4 53 ? 24.476 13.042 -116.995 1.00 39.95 ? 65 GLU F CD 1 ATOM 7712 O OE1 . GLU F 4 53 ? 24.464 13.983 -117.765 1.00 36.02 ? 65 GLU F OE1 1 ATOM 7713 O OE2 . GLU F 4 53 ? 25.173 13.080 -115.977 1.00 29.36 -1 65 GLU F OE2 1 ATOM 7714 N N . ARG F 4 54 ? 22.423 8.699 -116.476 1.00 11.50 ? 66 ARG F N 1 ATOM 7715 C CA . ARG F 4 54 ? 22.890 7.726 -115.523 1.00 11.01 ? 66 ARG F CA 1 ATOM 7716 C C . ARG F 4 54 ? 24.402 7.741 -115.340 1.00 13.12 ? 66 ARG F C 1 ATOM 7717 O O . ARG F 4 54 ? 24.948 8.641 -114.794 1.00 13.31 ? 66 ARG F O 1 ATOM 7718 C CB . ARG F 4 54 ? 22.362 6.346 -115.894 1.00 10.07 ? 66 ARG F CB 1 ATOM 7719 C CG . ARG F 4 54 ? 20.869 6.218 -116.104 1.00 11.65 ? 66 ARG F CG 1 ATOM 7720 C CD . ARG F 4 54 ? 20.115 5.781 -114.876 1.00 11.30 ? 66 ARG F CD 1 ATOM 7721 N NE . ARG F 4 54 ? 20.512 6.477 -113.681 1.00 11.23 ? 66 ARG F NE 1 ATOM 7722 C CZ . ARG F 4 54 ? 19.940 7.542 -113.179 1.00 14.85 ? 66 ARG F CZ 1 ATOM 7723 N NH1 . ARG F 4 54 ? 20.418 8.063 -112.127 1.00 7.12 1 66 ARG F NH1 1 ATOM 7724 N NH2 . ARG F 4 54 ? 18.919 8.082 -113.719 1.00 7.52 ? 66 ARG F NH2 1 ATOM 7725 N N . ALA F 4 55 ? 25.063 6.727 -115.829 1.00 10.13 ? 67 ALA F N 1 ATOM 7726 C CA . ALA F 4 55 ? 26.474 6.643 -115.759 1.00 10.26 ? 67 ALA F CA 1 ATOM 7727 C C . ALA F 4 55 ? 27.075 7.588 -116.802 1.00 14.96 ? 67 ALA F C 1 ATOM 7728 O O . ALA F 4 55 ? 26.532 7.821 -117.812 1.00 15.18 ? 67 ALA F O 1 ATOM 7729 C CB . ALA F 4 55 ? 26.959 5.219 -115.891 1.00 10.69 ? 67 ALA F CB 1 ATOM 7730 N N . LYS F 4 56 ? 28.208 8.129 -116.474 1.00 11.94 ? 68 LYS F N 1 ATOM 7731 C CA . LYS F 4 56 ? 28.996 9.068 -117.249 1.00 11.96 ? 68 LYS F CA 1 ATOM 7732 C C . LYS F 4 56 ? 30.491 8.782 -117.187 1.00 18.46 ? 68 LYS F C 1 ATOM 7733 O O . LYS F 4 56 ? 31.045 8.602 -116.142 1.00 17.93 ? 68 LYS F O 1 ATOM 7734 C CB . LYS F 4 56 ? 28.718 10.477 -116.757 1.00 13.20 ? 68 LYS F CB 1 ATOM 7735 C CG . LYS F 4 56 ? 29.109 11.608 -117.676 1.00 18.03 ? 68 LYS F CG 1 ATOM 7736 C CD . LYS F 4 56 ? 29.369 12.838 -116.856 1.00 23.50 ? 68 LYS F CD 1 ATOM 7737 C CE . LYS F 4 56 ? 28.755 14.076 -117.434 1.00 36.57 ? 68 LYS F CE 1 ATOM 7738 N NZ . LYS F 4 56 ? 29.082 15.299 -116.660 1.00 40.96 1 68 LYS F NZ 1 ATOM 7739 N N . GLY F 4 57 ? 31.135 8.811 -118.337 1.00 17.45 ? 69 GLY F N 1 ATOM 7740 C CA . GLY F 4 57 ? 32.559 8.611 -118.467 1.00 18.63 ? 69 GLY F CA 1 ATOM 7741 C C . GLY F 4 57 ? 33.416 9.843 -118.256 1.00 25.30 ? 69 GLY F C 1 ATOM 7742 O O . GLY F 4 57 ? 32.941 10.811 -117.739 1.00 23.78 ? 69 GLY F O 1 ATOM 7743 N N . ASN F 4 58 ? 34.684 9.773 -118.646 1.00 26.15 ? 70 ASN F N 1 ATOM 7744 C CA . ASN F 4 58 ? 35.621 10.903 -118.574 1.00 28.67 ? 70 ASN F CA 1 ATOM 7745 C C . ASN F 4 58 ? 35.383 11.767 -119.820 1.00 35.58 ? 70 ASN F C 1 ATOM 7746 O O . ASN F 4 58 ? 36.252 11.892 -120.685 1.00 36.27 ? 70 ASN F O 1 ATOM 7747 C CB . ASN F 4 58 ? 37.078 10.395 -118.472 1.00 31.49 ? 70 ASN F CB 1 ATOM 7748 C CG . ASN F 4 58 ? 37.990 11.298 -117.674 1.00 67.10 ? 70 ASN F CG 1 ATOM 7749 O OD1 . ASN F 4 58 ? 38.173 11.125 -116.464 1.00 65.19 ? 70 ASN F OD1 1 ATOM 7750 N ND2 . ASN F 4 58 ? 38.593 12.277 -118.332 1.00 62.66 ? 70 ASN F ND2 1 ATOM 7751 N N . ILE F 4 59 ? 34.158 12.312 -119.913 1.00 32.88 ? 71 ILE F N 1 ATOM 7752 C CA . ILE F 4 59 ? 33.626 13.066 -121.042 1.00 32.99 ? 71 ILE F CA 1 ATOM 7753 C C . ILE F 4 59 ? 33.888 14.566 -120.858 1.00 38.36 ? 71 ILE F C 1 ATOM 7754 O O . ILE F 4 59 ? 33.844 15.095 -119.740 1.00 38.05 ? 71 ILE F O 1 ATOM 7755 C CB . ILE F 4 59 ? 32.109 12.726 -121.245 1.00 35.60 ? 71 ILE F CB 1 ATOM 7756 C CG1 . ILE F 4 59 ? 31.627 13.059 -122.673 1.00 35.97 ? 71 ILE F CG1 1 ATOM 7757 C CG2 . ILE F 4 59 ? 31.199 13.346 -120.177 1.00 36.63 ? 71 ILE F CG2 1 ATOM 7758 C CD1 . ILE F 4 59 ? 30.127 12.764 -122.984 1.00 42.11 ? 71 ILE F CD1 1 ATOM 7759 N N . LEU F 4 60 ? 34.185 15.229 -121.982 1.00 35.67 ? 72 LEU F N 1 ATOM 7760 C CA . LEU F 4 60 ? 34.447 16.662 -122.067 1.00 35.96 ? 72 LEU F CA 1 ATOM 7761 C C . LEU F 4 60 ? 33.148 17.431 -121.904 1.00 38.40 ? 72 LEU F C 1 ATOM 7762 O O . LEU F 4 60 ? 32.083 16.895 -122.222 1.00 37.35 ? 72 LEU F O 1 ATOM 7763 C CB . LEU F 4 60 ? 35.093 16.999 -123.428 1.00 36.37 ? 72 LEU F CB 1 ATOM 7764 C CG . LEU F 4 60 ? 36.395 16.278 -123.780 1.00 41.24 ? 72 LEU F CG 1 ATOM 7765 C CD1 . LEU F 4 60 ? 36.536 16.132 -125.285 1.00 41.42 ? 72 LEU F CD1 1 ATOM 7766 C CD2 . LEU F 4 60 ? 37.612 16.986 -123.166 1.00 44.58 ? 72 LEU F CD2 1 ATOM 7767 N N . GLU F 4 61 ? 33.228 18.689 -121.427 1.00 34.48 ? 74 GLU F N 1 ATOM 7768 C CA . GLU F 4 61 ? 32.051 19.549 -121.235 1.00 33.36 ? 74 GLU F CA 1 ATOM 7769 C C . GLU F 4 61 ? 31.423 19.920 -122.594 1.00 32.90 ? 74 GLU F C 1 ATOM 7770 O O . GLU F 4 61 ? 30.213 20.130 -122.677 1.00 31.80 ? 74 GLU F O 1 ATOM 7771 C CB . GLU F 4 61 ? 32.449 20.806 -120.442 1.00 36.13 ? 74 GLU F CB 1 ATOM 7772 C CG . GLU F 4 61 ? 31.306 21.745 -120.079 1.00 52.55 ? 74 GLU F CG 1 ATOM 7773 C CD . GLU F 4 61 ? 30.162 21.159 -119.271 1.00 82.63 ? 74 GLU F CD 1 ATOM 7774 O OE1 . GLU F 4 61 ? 30.430 20.404 -118.308 1.00 77.58 ? 74 GLU F OE1 1 ATOM 7775 O OE2 . GLU F 4 61 ? 28.994 21.489 -119.582 1.00 82.09 ? 74 GLU F OE2 1 ATOM 7776 N N . ARG F 4 62 ? 32.246 19.961 -123.656 1.00 27.00 ? 75 ARG F N 1 ATOM 7777 C CA . ARG F 4 62 ? 31.807 20.287 -125.013 1.00 25.84 ? 75 ARG F CA 1 ATOM 7778 C C . ARG F 4 62 ? 31.118 19.094 -125.705 1.00 28.23 ? 75 ARG F C 1 ATOM 7779 O O . ARG F 4 62 ? 30.654 19.231 -126.837 1.00 27.77 ? 75 ARG F O 1 ATOM 7780 C CB . ARG F 4 62 ? 32.975 20.820 -125.857 1.00 25.39 ? 75 ARG F CB 1 ATOM 7781 C CG . ARG F 4 62 ? 34.211 19.944 -125.907 1.00 29.14 ? 75 ARG F CG 1 ATOM 7782 C CD . ARG F 4 62 ? 35.274 20.609 -126.755 1.00 28.67 ? 75 ARG F CD 1 ATOM 7783 N NE . ARG F 4 62 ? 36.392 19.706 -127.000 1.00 32.03 ? 75 ARG F NE 1 ATOM 7784 C CZ . ARG F 4 62 ? 36.489 18.909 -128.055 1.00 46.09 ? 75 ARG F CZ 1 ATOM 7785 N NH1 . ARG F 4 62 ? 37.527 18.098 -128.186 1.00 32.04 1 75 ARG F NH1 1 ATOM 7786 N NH2 . ARG F 4 62 ? 35.540 18.908 -128.983 1.00 37.21 ? 75 ARG F NH2 1 ATOM 7787 N N . PHE F 4 63 ? 31.047 17.939 -125.010 1.00 24.53 ? 76 PHE F N 1 ATOM 7788 C CA . PHE F 4 63 ? 30.403 16.695 -125.428 1.00 23.67 ? 76 PHE F CA 1 ATOM 7789 C C . PHE F 4 63 ? 29.151 16.501 -124.578 1.00 27.24 ? 76 PHE F C 1 ATOM 7790 O O . PHE F 4 63 ? 29.260 16.359 -123.361 1.00 26.89 ? 76 PHE F O 1 ATOM 7791 C CB . PHE F 4 63 ? 31.378 15.509 -125.235 1.00 25.38 ? 76 PHE F CB 1 ATOM 7792 C CG . PHE F 4 63 ? 32.357 15.124 -126.329 1.00 27.37 ? 76 PHE F CG 1 ATOM 7793 C CD1 . PHE F 4 63 ? 32.892 16.086 -127.184 1.00 31.08 ? 76 PHE F CD1 1 ATOM 7794 C CD2 . PHE F 4 63 ? 32.803 13.809 -126.453 1.00 29.24 ? 76 PHE F CD2 1 ATOM 7795 C CE1 . PHE F 4 63 ? 33.806 15.729 -128.186 1.00 32.19 ? 76 PHE F CE1 1 ATOM 7796 C CE2 . PHE F 4 63 ? 33.717 13.453 -127.456 1.00 32.44 ? 76 PHE F CE2 1 ATOM 7797 C CZ . PHE F 4 63 ? 34.210 14.415 -128.315 1.00 31.14 ? 76 PHE F CZ 1 ATOM 7798 N N . SER F 4 64 ? 27.963 16.543 -125.189 1.00 22.88 ? 77 SER F N 1 ATOM 7799 C CA . SER F 4 64 ? 26.722 16.367 -124.426 1.00 21.70 ? 77 SER F CA 1 ATOM 7800 C C . SER F 4 64 ? 25.751 15.434 -125.145 1.00 23.49 ? 77 SER F C 1 ATOM 7801 O O . SER F 4 64 ? 25.880 15.212 -126.351 1.00 24.31 ? 77 SER F O 1 ATOM 7802 C CB . SER F 4 64 ? 26.060 17.715 -124.156 1.00 25.94 ? 77 SER F CB 1 ATOM 7803 O OG . SER F 4 64 ? 25.724 18.397 -125.353 1.00 37.50 ? 77 SER F OG 1 ATOM 7804 N N . ALA F 4 65 ? 24.785 14.877 -124.411 1.00 16.27 ? 78 ALA F N 1 ATOM 7805 C CA . ALA F 4 65 ? 23.819 13.973 -125.013 1.00 14.13 ? 78 ALA F CA 1 ATOM 7806 C C . ALA F 4 65 ? 22.421 14.150 -124.439 1.00 16.59 ? 78 ALA F C 1 ATOM 7807 O O . ALA F 4 65 ? 22.230 14.837 -123.444 1.00 16.09 ? 78 ALA F O 1 ATOM 7808 C CB . ALA F 4 65 ? 24.271 12.540 -124.849 1.00 14.19 ? 78 ALA F CB 1 ATOM 7809 N N . GLN F 4 66 ? 21.444 13.544 -125.119 1.00 12.02 ? 79 GLN F N 1 ATOM 7810 C CA . GLN F 4 66 ? 20.027 13.524 -124.778 1.00 11.18 ? 79 GLN F CA 1 ATOM 7811 C C . GLN F 4 66 ? 19.417 12.205 -125.168 1.00 11.66 ? 79 GLN F C 1 ATOM 7812 O O . GLN F 4 66 ? 19.853 11.596 -126.138 1.00 11.06 ? 79 GLN F O 1 ATOM 7813 C CB . GLN F 4 66 ? 19.269 14.643 -125.522 1.00 12.35 ? 79 GLN F CB 1 ATOM 7814 C CG . GLN F 4 66 ? 19.636 16.072 -125.128 1.00 16.20 ? 79 GLN F CG 1 ATOM 7815 C CD . GLN F 4 66 ? 18.710 17.082 -125.751 1.00 31.29 ? 79 GLN F CD 1 ATOM 7816 O OE1 . GLN F 4 66 ? 17.984 17.804 -125.055 1.00 25.67 ? 79 GLN F OE1 1 ATOM 7817 N NE2 . GLN F 4 66 ? 18.717 17.162 -127.073 1.00 23.38 ? 79 GLN F NE2 1 ATOM 7818 N N . GLN F 4 67 ? 18.377 11.787 -124.446 1.00 9.35 ? 80 GLN F N 1 ATOM 7819 C CA . GLN F 4 67 ? 17.551 10.650 -124.797 1.00 9.16 ? 80 GLN F CA 1 ATOM 7820 C C . GLN F 4 67 ? 16.123 11.135 -124.841 1.00 11.04 ? 80 GLN F C 1 ATOM 7821 O O . GLN F 4 67 ? 15.603 11.624 -123.833 1.00 10.63 ? 80 GLN F O 1 ATOM 7822 C CB . GLN F 4 67 ? 17.724 9.455 -123.866 1.00 9.48 ? 80 GLN F CB 1 ATOM 7823 C CG . GLN F 4 67 ? 16.978 8.227 -124.401 1.00 10.27 ? 80 GLN F CG 1 ATOM 7824 C CD . GLN F 4 67 ? 16.913 7.097 -123.423 1.00 16.39 ? 80 GLN F CD 1 ATOM 7825 O OE1 . GLN F 4 67 ? 16.838 7.300 -122.209 1.00 7.44 ? 80 GLN F OE1 1 ATOM 7826 N NE2 . GLN F 4 67 ? 16.821 5.880 -123.945 1.00 11.00 ? 80 GLN F NE2 1 ATOM 7827 N N . PHE F 4 68 ? 15.505 11.036 -126.018 1.00 9.45 ? 81 PHE F N 1 ATOM 7828 C CA . PHE F 4 68 ? 14.133 11.469 -126.254 1.00 9.84 ? 81 PHE F CA 1 ATOM 7829 C C . PHE F 4 68 ? 13.105 10.476 -125.684 1.00 14.92 ? 81 PHE F C 1 ATOM 7830 O O . PHE F 4 68 ? 13.459 9.320 -125.432 1.00 16.37 ? 81 PHE F O 1 ATOM 7831 C CB . PHE F 4 68 ? 13.915 11.664 -127.769 1.00 10.88 ? 81 PHE F CB 1 ATOM 7832 C CG . PHE F 4 68 ? 14.455 12.969 -128.306 1.00 11.60 ? 81 PHE F CG 1 ATOM 7833 C CD1 . PHE F 4 68 ? 15.824 13.238 -128.287 1.00 13.02 ? 81 PHE F CD1 1 ATOM 7834 C CD2 . PHE F 4 68 ? 13.606 13.911 -128.872 1.00 12.92 ? 81 PHE F CD2 1 ATOM 7835 C CE1 . PHE F 4 68 ? 16.320 14.452 -128.771 1.00 13.46 ? 81 PHE F CE1 1 ATOM 7836 C CE2 . PHE F 4 68 ? 14.108 15.116 -129.376 1.00 15.27 ? 81 PHE F CE2 1 ATOM 7837 C CZ . PHE F 4 68 ? 15.458 15.378 -129.321 1.00 12.83 ? 81 PHE F CZ 1 ATOM 7838 N N . PRO F 4 69 ? 11.825 10.890 -125.476 1.00 12.99 ? 83 PRO F N 1 ATOM 7839 C CA . PRO F 4 69 ? 10.805 9.941 -124.959 1.00 12.92 ? 83 PRO F CA 1 ATOM 7840 C C . PRO F 4 69 ? 10.571 8.688 -125.826 1.00 16.95 ? 83 PRO F C 1 ATOM 7841 O O . PRO F 4 69 ? 10.167 7.674 -125.269 1.00 16.91 ? 83 PRO F O 1 ATOM 7842 C CB . PRO F 4 69 ? 9.534 10.792 -124.901 1.00 14.27 ? 83 PRO F CB 1 ATOM 7843 C CG . PRO F 4 69 ? 10.048 12.198 -124.817 1.00 18.11 ? 83 PRO F CG 1 ATOM 7844 C CD . PRO F 4 69 ? 11.243 12.232 -125.670 1.00 14.03 ? 83 PRO F CD 1 ATOM 7845 N N . ASP F 4 70 ? 10.841 8.738 -127.163 1.00 14.17 ? 84 ASP F N 1 ATOM 7846 C CA . ASP F 4 70 ? 10.716 7.589 -128.075 1.00 14.16 ? 84 ASP F CA 1 ATOM 7847 C C . ASP F 4 70 ? 11.980 6.710 -127.962 1.00 19.11 ? 84 ASP F C 1 ATOM 7848 O O . ASP F 4 70 ? 12.151 5.760 -128.730 1.00 20.53 ? 84 ASP F O 1 ATOM 7849 C CB . ASP F 4 70 ? 10.426 8.009 -129.545 1.00 16.70 ? 84 ASP F CB 1 ATOM 7850 C CG . ASP F 4 70 ? 11.552 8.669 -130.348 1.00 29.85 ? 84 ASP F CG 1 ATOM 7851 O OD1 . ASP F 4 70 ? 12.652 8.881 -129.781 1.00 30.75 -1 84 ASP F OD1 1 ATOM 7852 O OD2 . ASP F 4 70 ? 11.333 8.966 -131.547 1.00 36.37 ? 84 ASP F OD2 1 ATOM 7853 N N . LEU F 4 71 ? 12.873 7.070 -127.002 1.00 13.72 ? 85 LEU F N 1 ATOM 7854 C CA . LEU F 4 71 ? 14.089 6.390 -126.548 1.00 12.61 ? 85 LEU F CA 1 ATOM 7855 C C . LEU F 4 71 ? 15.277 6.552 -127.508 1.00 15.95 ? 85 LEU F C 1 ATOM 7856 O O . LEU F 4 71 ? 16.384 6.086 -127.190 1.00 13.28 ? 85 LEU F O 1 ATOM 7857 C CB . LEU F 4 71 ? 13.814 4.904 -126.233 1.00 12.68 ? 85 LEU F CB 1 ATOM 7858 C CG . LEU F 4 71 ? 12.687 4.673 -125.200 1.00 16.77 ? 85 LEU F CG 1 ATOM 7859 C CD1 . LEU F 4 71 ? 12.106 3.305 -125.333 1.00 17.53 ? 85 LEU F CD1 1 ATOM 7860 C CD2 . LEU F 4 71 ? 13.128 5.019 -123.763 1.00 15.13 ? 85 LEU F CD2 1 ATOM 7861 N N . HIS F 4 72 ? 15.089 7.302 -128.618 1.00 13.65 ? 86 HIS F N 1 ATOM 7862 C CA . HIS F 4 72 ? 16.194 7.604 -129.527 1.00 13.60 ? 86 HIS F CA 1 ATOM 7863 C C . HIS F 4 72 ? 17.132 8.567 -128.792 1.00 17.46 ? 86 HIS F C 1 ATOM 7864 O O . HIS F 4 72 ? 16.691 9.311 -127.911 1.00 18.86 ? 86 HIS F O 1 ATOM 7865 C CB . HIS F 4 72 ? 15.714 8.132 -130.912 1.00 14.86 ? 86 HIS F CB 1 ATOM 7866 C CG . HIS F 4 72 ? 15.732 9.625 -131.113 1.00 18.19 ? 86 HIS F CG 1 ATOM 7867 N ND1 . HIS F 4 72 ? 14.584 10.384 -130.990 1.00 20.31 ? 86 HIS F ND1 1 ATOM 7868 C CD2 . HIS F 4 72 ? 16.735 10.430 -131.533 1.00 19.90 ? 86 HIS F CD2 1 ATOM 7869 C CE1 . HIS F 4 72 ? 14.929 11.620 -131.299 1.00 19.92 ? 86 HIS F CE1 1 ATOM 7870 N NE2 . HIS F 4 72 ? 16.213 11.702 -131.617 1.00 20.07 ? 86 HIS F NE2 1 ATOM 7871 N N . SER F 4 73 ? 18.420 8.498 -129.096 1.00 13.05 ? 87 SER F N 1 ATOM 7872 C CA . SER F 4 73 ? 19.387 9.347 -128.433 1.00 12.26 ? 87 SER F CA 1 ATOM 7873 C C . SER F 4 73 ? 20.127 10.204 -129.424 1.00 17.50 ? 87 SER F C 1 ATOM 7874 O O . SER F 4 73 ? 20.322 9.805 -130.570 1.00 17.87 ? 87 SER F O 1 ATOM 7875 C CB . SER F 4 73 ? 20.377 8.506 -127.638 1.00 14.57 ? 87 SER F CB 1 ATOM 7876 O OG . SER F 4 73 ? 21.309 9.326 -126.952 1.00 20.70 ? 87 SER F OG 1 ATOM 7877 N N . GLU F 4 74 ? 20.569 11.380 -128.960 1.00 14.77 ? 88 GLU F N 1 ATOM 7878 C CA . GLU F 4 74 ? 21.374 12.334 -129.712 1.00 14.33 ? 88 GLU F CA 1 ATOM 7879 C C . GLU F 4 74 ? 22.705 12.592 -128.975 1.00 19.24 ? 88 GLU F C 1 ATOM 7880 O O . GLU F 4 74 ? 22.701 12.776 -127.763 1.00 18.97 ? 88 GLU F O 1 ATOM 7881 C CB . GLU F 4 74 ? 20.599 13.640 -129.928 1.00 15.71 ? 88 GLU F CB 1 ATOM 7882 C CG . GLU F 4 74 ? 19.512 13.523 -130.985 1.00 27.14 ? 88 GLU F CG 1 ATOM 7883 C CD . GLU F 4 74 ? 18.718 14.776 -131.318 1.00 54.33 ? 88 GLU F CD 1 ATOM 7884 O OE1 . GLU F 4 74 ? 19.177 15.897 -130.990 1.00 48.92 ? 88 GLU F OE1 1 ATOM 7885 O OE2 . GLU F 4 74 ? 17.635 14.633 -131.931 1.00 49.24 -1 88 GLU F OE2 1 ATOM 7886 N N . LEU F 4 75 ? 23.840 12.525 -129.696 1.00 16.11 ? 89 LEU F N 1 ATOM 7887 C CA . LEU F 4 75 ? 25.165 12.850 -129.161 1.00 15.40 ? 89 LEU F CA 1 ATOM 7888 C C . LEU F 4 75 ? 25.624 14.122 -129.854 1.00 20.00 ? 89 LEU F C 1 ATOM 7889 O O . LEU F 4 75 ? 25.820 14.143 -131.063 1.00 20.54 ? 89 LEU F O 1 ATOM 7890 C CB . LEU F 4 75 ? 26.200 11.715 -129.297 1.00 14.89 ? 89 LEU F CB 1 ATOM 7891 C CG . LEU F 4 75 ? 27.587 11.983 -128.673 1.00 17.76 ? 89 LEU F CG 1 ATOM 7892 C CD1 . LEU F 4 75 ? 27.529 12.036 -127.136 1.00 17.58 ? 89 LEU F CD1 1 ATOM 7893 C CD2 . LEU F 4 75 ? 28.595 10.968 -129.139 1.00 16.35 ? 89 LEU F CD2 1 ATOM 7894 N N . ASN F 4 76 ? 25.712 15.192 -129.092 1.00 17.30 ? 90 ASN F N 1 ATOM 7895 C CA . ASN F 4 76 ? 26.082 16.501 -129.584 1.00 17.86 ? 90 ASN F CA 1 ATOM 7896 C C . ASN F 4 76 ? 27.558 16.800 -129.243 1.00 22.42 ? 90 ASN F C 1 ATOM 7897 O O . ASN F 4 76 ? 27.949 16.812 -128.065 1.00 22.11 ? 90 ASN F O 1 ATOM 7898 C CB . ASN F 4 76 ? 25.126 17.542 -128.999 1.00 18.45 ? 90 ASN F CB 1 ATOM 7899 C CG . ASN F 4 76 ? 23.671 17.225 -129.281 1.00 34.47 ? 90 ASN F CG 1 ATOM 7900 O OD1 . ASN F 4 76 ? 23.217 17.240 -130.430 1.00 33.27 ? 90 ASN F OD1 1 ATOM 7901 N ND2 . ASN F 4 76 ? 22.916 16.891 -128.242 1.00 19.46 ? 90 ASN F ND2 1 ATOM 7902 N N . LEU F 4 77 ? 28.377 16.975 -130.292 1.00 18.67 ? 91 LEU F N 1 ATOM 7903 C CA . LEU F 4 77 ? 29.815 17.264 -130.180 1.00 18.28 ? 91 LEU F CA 1 ATOM 7904 C C . LEU F 4 77 ? 30.117 18.645 -130.751 1.00 22.91 ? 91 LEU F C 1 ATOM 7905 O O . LEU F 4 77 ? 29.966 18.864 -131.952 1.00 23.43 ? 91 LEU F O 1 ATOM 7906 C CB . LEU F 4 77 ? 30.674 16.191 -130.893 1.00 17.60 ? 91 LEU F CB 1 ATOM 7907 C CG . LEU F 4 77 ? 30.308 14.712 -130.697 1.00 20.79 ? 91 LEU F CG 1 ATOM 7908 C CD1 . LEU F 4 77 ? 31.134 13.823 -131.609 1.00 20.71 ? 91 LEU F CD1 1 ATOM 7909 C CD2 . LEU F 4 77 ? 30.483 14.277 -129.267 1.00 20.35 ? 91 LEU F CD2 1 ATOM 7910 N N . SER F 4 78 ? 30.536 19.573 -129.898 1.00 19.51 ? 92 SER F N 1 ATOM 7911 C CA . SER F 4 78 ? 30.833 20.935 -130.337 1.00 20.58 ? 92 SER F CA 1 ATOM 7912 C C . SER F 4 78 ? 32.326 21.264 -130.200 1.00 24.30 ? 92 SER F C 1 ATOM 7913 O O . SER F 4 78 ? 33.085 20.485 -129.600 1.00 23.38 ? 92 SER F O 1 ATOM 7914 C CB . SER F 4 78 ? 29.985 21.938 -129.555 1.00 24.97 ? 92 SER F CB 1 ATOM 7915 O OG . SER F 4 78 ? 30.173 21.813 -128.155 1.00 32.27 ? 92 SER F OG 1 ATOM 7916 N N . SER F 4 79 ? 32.735 22.426 -130.780 1.00 21.73 ? 93 SER F N 1 ATOM 7917 C CA . SER F 4 79 ? 34.103 22.981 -130.807 1.00 22.22 ? 93 SER F CA 1 ATOM 7918 C C . SER F 4 79 ? 35.097 21.870 -131.170 1.00 24.60 ? 93 SER F C 1 ATOM 7919 O O . SER F 4 79 ? 36.088 21.617 -130.465 1.00 25.44 ? 93 SER F O 1 ATOM 7920 C CB . SER F 4 79 ? 34.439 23.646 -129.472 1.00 26.48 ? 93 SER F CB 1 ATOM 7921 O OG . SER F 4 79 ? 33.535 24.708 -129.213 1.00 36.29 ? 93 SER F OG 1 ATOM 7922 N N . LEU F 4 80 ? 34.792 21.197 -132.288 1.00 18.00 ? 94 LEU F N 1 ATOM 7923 C CA . LEU F 4 80 ? 35.514 20.032 -132.749 1.00 16.43 ? 94 LEU F CA 1 ATOM 7924 C C . LEU F 4 80 ? 36.990 20.298 -132.992 1.00 19.46 ? 94 LEU F C 1 ATOM 7925 O O . LEU F 4 80 ? 37.393 21.372 -133.439 1.00 18.90 ? 94 LEU F O 1 ATOM 7926 C CB . LEU F 4 80 ? 34.843 19.409 -133.977 1.00 16.00 ? 94 LEU F CB 1 ATOM 7927 C CG . LEU F 4 80 ? 33.482 18.708 -133.660 1.00 20.02 ? 94 LEU F CG 1 ATOM 7928 C CD1 . LEU F 4 80 ? 32.629 18.581 -134.882 1.00 19.65 ? 94 LEU F CD1 1 ATOM 7929 C CD2 . LEU F 4 80 ? 33.671 17.358 -132.997 1.00 20.26 ? 94 LEU F CD2 1 ATOM 7930 N N . GLU F 4 81 ? 37.789 19.320 -132.579 1.00 15.51 ? 95 GLU F N 1 ATOM 7931 C CA . GLU F 4 81 ? 39.236 19.267 -132.687 1.00 15.90 ? 95 GLU F CA 1 ATOM 7932 C C . GLU F 4 81 ? 39.613 18.041 -133.498 1.00 18.46 ? 95 GLU F C 1 ATOM 7933 O O . GLU F 4 81 ? 38.814 17.105 -133.588 1.00 17.53 ? 95 GLU F O 1 ATOM 7934 C CB . GLU F 4 81 ? 39.865 19.214 -131.284 1.00 17.99 ? 95 GLU F CB 1 ATOM 7935 C CG . GLU F 4 81 ? 39.621 20.462 -130.444 1.00 34.54 ? 95 GLU F CG 1 ATOM 7936 C CD . GLU F 4 81 ? 39.828 20.333 -128.942 1.00 66.63 ? 95 GLU F CD 1 ATOM 7937 O OE1 . GLU F 4 81 ? 40.595 19.442 -128.509 1.00 67.83 ? 95 GLU F OE1 1 ATOM 7938 O OE2 . GLU F 4 81 ? 39.227 21.141 -128.196 1.00 63.24 -1 95 GLU F OE2 1 ATOM 7939 N N . LEU F 4 82 ? 40.830 18.024 -134.072 1.00 14.88 ? 96 LEU F N 1 ATOM 7940 C CA . LEU F 4 82 ? 41.336 16.908 -134.877 1.00 13.77 ? 96 LEU F CA 1 ATOM 7941 C C . LEU F 4 82 ? 41.288 15.596 -134.104 1.00 15.09 ? 96 LEU F C 1 ATOM 7942 O O . LEU F 4 82 ? 40.963 14.564 -134.696 1.00 13.47 ? 96 LEU F O 1 ATOM 7943 C CB . LEU F 4 82 ? 42.770 17.178 -135.360 1.00 14.20 ? 96 LEU F CB 1 ATOM 7944 C CG . LEU F 4 82 ? 42.979 18.350 -136.317 1.00 19.02 ? 96 LEU F CG 1 ATOM 7945 C CD1 . LEU F 4 82 ? 44.469 18.685 -136.446 1.00 19.77 ? 96 LEU F CD1 1 ATOM 7946 C CD2 . LEU F 4 82 ? 42.390 18.062 -137.690 1.00 21.51 ? 96 LEU F CD2 1 ATOM 7947 N N . GLY F 4 83 ? 41.548 15.669 -132.787 1.00 12.95 ? 97 GLY F N 1 ATOM 7948 C CA . GLY F 4 83 ? 41.528 14.539 -131.860 1.00 12.80 ? 97 GLY F CA 1 ATOM 7949 C C . GLY F 4 83 ? 40.173 13.877 -131.673 1.00 18.58 ? 97 GLY F C 1 ATOM 7950 O O . GLY F 4 83 ? 40.097 12.765 -131.140 1.00 18.06 ? 97 GLY F O 1 ATOM 7951 N N . ASP F 4 84 ? 39.084 14.553 -132.120 1.00 15.92 ? 98 ASP F N 1 ATOM 7952 C CA . ASP F 4 84 ? 37.714 14.035 -132.053 1.00 15.15 ? 98 ASP F CA 1 ATOM 7953 C C . ASP F 4 84 ? 37.437 13.054 -133.185 1.00 18.75 ? 98 ASP F C 1 ATOM 7954 O O . ASP F 4 84 ? 36.430 12.344 -133.113 1.00 18.94 ? 98 ASP F O 1 ATOM 7955 C CB . ASP F 4 84 ? 36.685 15.173 -132.062 1.00 17.11 ? 98 ASP F CB 1 ATOM 7956 C CG . ASP F 4 84 ? 36.854 16.179 -130.937 1.00 26.83 ? 98 ASP F CG 1 ATOM 7957 O OD1 . ASP F 4 84 ? 37.369 15.795 -129.864 1.00 25.68 ? 98 ASP F OD1 1 ATOM 7958 O OD2 . ASP F 4 84 ? 36.452 17.339 -131.120 1.00 36.17 -1 98 ASP F OD2 1 ATOM 7959 N N . SER F 4 85 ? 38.325 12.997 -134.221 1.00 13.69 ? 99 SER F N 1 ATOM 7960 C CA . SER F 4 85 ? 38.224 12.040 -135.326 1.00 13.04 ? 99 SER F CA 1 ATOM 7961 C C . SER F 4 85 ? 38.264 10.639 -134.748 1.00 17.02 ? 99 SER F C 1 ATOM 7962 O O . SER F 4 85 ? 39.280 10.214 -134.193 1.00 16.23 ? 99 SER F O 1 ATOM 7963 C CB . SER F 4 85 ? 39.338 12.232 -136.352 1.00 16.32 ? 99 SER F CB 1 ATOM 7964 O OG . SER F 4 85 ? 39.305 13.519 -136.943 1.00 28.17 ? 99 SER F OG 1 ATOM 7965 N N . ALA F 4 86 ? 37.122 9.956 -134.796 1.00 14.22 ? 100 ALA F N 1 ATOM 7966 C CA . ALA F 4 86 ? 36.968 8.625 -134.222 1.00 13.51 ? 100 ALA F CA 1 ATOM 7967 C C . ALA F 4 86 ? 35.686 7.991 -134.704 1.00 16.94 ? 100 ALA F C 1 ATOM 7968 O O . ALA F 4 86 ? 34.954 8.571 -135.515 1.00 16.92 ? 100 ALA F O 1 ATOM 7969 C CB . ALA F 4 86 ? 36.949 8.724 -132.686 1.00 14.04 ? 100 ALA F CB 1 ATOM 7970 N N . LEU F 4 87 ? 35.422 6.787 -134.192 1.00 13.87 ? 101 LEU F N 1 ATOM 7971 C CA . LEU F 4 87 ? 34.186 6.055 -134.389 1.00 13.91 ? 101 LEU F CA 1 ATOM 7972 C C . LEU F 4 87 ? 33.320 6.260 -133.144 1.00 15.88 ? 101 LEU F C 1 ATOM 7973 O O . LEU F 4 87 ? 33.835 6.223 -132.018 1.00 15.86 ? 101 LEU F O 1 ATOM 7974 C CB . LEU F 4 87 ? 34.482 4.581 -134.624 1.00 14.61 ? 101 LEU F CB 1 ATOM 7975 C CG . LEU F 4 87 ? 34.780 4.217 -136.068 1.00 20.63 ? 101 LEU F CG 1 ATOM 7976 C CD1 . LEU F 4 87 ? 35.659 2.995 -136.133 1.00 21.34 ? 101 LEU F CD1 1 ATOM 7977 C CD2 . LEU F 4 87 ? 33.476 4.000 -136.868 1.00 23.83 ? 101 LEU F CD2 1 ATOM 7978 N N . TYR F 4 88 ? 32.032 6.526 -133.337 1.00 10.22 ? 102 TYR F N 1 ATOM 7979 C CA . TYR F 4 88 ? 31.120 6.727 -132.208 1.00 9.11 ? 102 TYR F CA 1 ATOM 7980 C C . TYR F 4 88 ? 30.045 5.700 -132.271 1.00 13.16 ? 102 TYR F C 1 ATOM 7981 O O . TYR F 4 88 ? 29.253 5.693 -133.207 1.00 12.98 ? 102 TYR F O 1 ATOM 7982 C CB . TYR F 4 88 ? 30.533 8.145 -132.180 1.00 8.76 ? 102 TYR F CB 1 ATOM 7983 C CG . TYR F 4 88 ? 31.586 9.186 -131.899 1.00 8.54 ? 102 TYR F CG 1 ATOM 7984 C CD1 . TYR F 4 88 ? 32.334 9.743 -132.930 1.00 9.36 ? 102 TYR F CD1 1 ATOM 7985 C CD2 . TYR F 4 88 ? 31.893 9.560 -130.594 1.00 8.59 ? 102 TYR F CD2 1 ATOM 7986 C CE1 . TYR F 4 88 ? 33.347 10.663 -132.674 1.00 9.27 ? 102 TYR F CE1 1 ATOM 7987 C CE2 . TYR F 4 88 ? 32.874 10.509 -130.330 1.00 9.17 ? 102 TYR F CE2 1 ATOM 7988 C CZ . TYR F 4 88 ? 33.624 11.036 -131.371 1.00 12.91 ? 102 TYR F CZ 1 ATOM 7989 O OH . TYR F 4 88 ? 34.628 11.953 -131.118 1.00 11.72 ? 102 TYR F OH 1 ATOM 7990 N N . PHE F 4 89 ? 30.065 4.780 -131.313 1.00 10.73 ? 103 PHE F N 1 ATOM 7991 C CA . PHE F 4 89 ? 29.085 3.721 -131.283 1.00 11.27 ? 103 PHE F CA 1 ATOM 7992 C C . PHE F 4 89 ? 28.053 3.974 -130.233 1.00 18.15 ? 103 PHE F C 1 ATOM 7993 O O . PHE F 4 89 ? 28.329 4.468 -129.136 1.00 17.91 ? 103 PHE F O 1 ATOM 7994 C CB . PHE F 4 89 ? 29.713 2.332 -131.064 1.00 12.56 ? 103 PHE F CB 1 ATOM 7995 C CG . PHE F 4 89 ? 30.682 1.884 -132.127 1.00 13.98 ? 103 PHE F CG 1 ATOM 7996 C CD1 . PHE F 4 89 ? 30.228 1.301 -133.302 1.00 17.25 ? 103 PHE F CD1 1 ATOM 7997 C CD2 . PHE F 4 89 ? 32.053 2.028 -131.945 1.00 15.78 ? 103 PHE F CD2 1 ATOM 7998 C CE1 . PHE F 4 89 ? 31.128 0.918 -134.297 1.00 18.37 ? 103 PHE F CE1 1 ATOM 7999 C CE2 . PHE F 4 89 ? 32.952 1.625 -132.933 1.00 18.74 ? 103 PHE F CE2 1 ATOM 8000 C CZ . PHE F 4 89 ? 32.486 1.060 -134.095 1.00 17.03 ? 103 PHE F CZ 1 ATOM 8001 N N . CYS F 4 90 ? 26.847 3.615 -130.595 1.00 16.12 ? 104 CYS F N 1 ATOM 8002 C CA . CYS F 4 90 ? 25.735 3.613 -129.712 1.00 16.83 ? 104 CYS F CA 1 ATOM 8003 C C . CYS F 4 90 ? 25.450 2.174 -129.355 1.00 17.29 ? 104 CYS F C 1 ATOM 8004 O O . CYS F 4 90 ? 25.521 1.302 -130.223 1.00 16.30 ? 104 CYS F O 1 ATOM 8005 C CB . CYS F 4 90 ? 24.541 4.267 -130.381 1.00 19.34 ? 104 CYS F CB 1 ATOM 8006 S SG . CYS F 4 90 ? 23.157 4.513 -129.268 1.00 24.62 ? 104 CYS F SG 1 ATOM 8007 N N . ALA F 4 91 ? 25.175 1.913 -128.078 1.00 10.92 ? 105 ALA F N 1 ATOM 8008 C CA . ALA F 4 91 ? 24.789 0.595 -127.591 1.00 10.55 ? 105 ALA F CA 1 ATOM 8009 C C . ALA F 4 91 ? 23.458 0.698 -126.851 1.00 12.25 ? 105 ALA F C 1 ATOM 8010 O O . ALA F 4 91 ? 23.138 1.749 -126.307 1.00 12.85 ? 105 ALA F O 1 ATOM 8011 C CB . ALA F 4 91 ? 25.865 0.015 -126.683 1.00 10.73 ? 105 ALA F CB 1 ATOM 8012 N N . SER F 4 92 ? 22.657 -0.358 -126.858 1.00 10.11 ? 106 SER F N 1 ATOM 8013 C CA . SER F 4 92 ? 21.423 -0.308 -126.101 1.00 9.84 ? 106 SER F CA 1 ATOM 8014 C C . SER F 4 92 ? 21.179 -1.625 -125.386 1.00 11.62 ? 106 SER F C 1 ATOM 8015 O O . SER F 4 92 ? 21.619 -2.679 -125.842 1.00 12.35 ? 106 SER F O 1 ATOM 8016 C CB . SER F 4 92 ? 20.236 0.102 -126.967 1.00 10.60 ? 106 SER F CB 1 ATOM 8017 O OG . SER F 4 92 ? 19.737 -0.935 -127.791 1.00 14.46 ? 106 SER F OG 1 ATOM 8018 N N . SER F 4 93 ? 20.527 -1.538 -124.226 1.00 10.20 ? 107 SER F N 1 ATOM 8019 C CA . SER F 4 93 ? 20.146 -2.680 -123.397 1.00 10.36 ? 107 SER F CA 1 ATOM 8020 C C . SER F 4 93 ? 18.692 -2.522 -122.959 1.00 11.47 ? 107 SER F C 1 ATOM 8021 O O . SER F 4 93 ? 18.184 -1.401 -122.934 1.00 11.29 ? 107 SER F O 1 ATOM 8022 C CB . SER F 4 93 ? 21.081 -2.801 -122.197 1.00 11.59 ? 107 SER F CB 1 ATOM 8023 O OG . SER F 4 93 ? 20.938 -1.682 -121.342 1.00 18.63 ? 107 SER F OG 1 ATOM 8024 N N . VAL F 4 94 ? 18.018 -3.634 -122.641 1.00 10.72 ? 108 VAL F N 1 ATOM 8025 C CA . VAL F 4 94 ? 16.616 -3.657 -122.190 1.00 10.91 ? 108 VAL F CA 1 ATOM 8026 C C . VAL F 4 94 ? 16.437 -2.776 -120.924 1.00 11.40 ? 108 VAL F C 1 ATOM 8027 O O . VAL F 4 94 ? 15.586 -1.875 -120.916 1.00 11.39 ? 108 VAL F O 1 ATOM 8028 C CB . VAL F 4 94 ? 16.104 -5.114 -121.947 1.00 12.97 ? 108 VAL F CB 1 ATOM 8029 C CG1 . VAL F 4 94 ? 14.615 -5.118 -121.593 1.00 13.23 ? 108 VAL F CG1 1 ATOM 8030 C CG2 . VAL F 4 94 ? 16.358 -6.014 -123.163 1.00 13.13 ? 108 VAL F CG2 1 ATOM 8031 N N . ALA F 4 95 ? 17.242 -3.051 -119.872 1.00 9.71 ? 109 ALA F N 1 ATOM 8032 C CA . ALA F 4 95 ? 17.239 -2.352 -118.578 1.00 9.53 ? 109 ALA F CA 1 ATOM 8033 C C . ALA F 4 95 ? 18.617 -1.669 -118.352 1.00 11.06 ? 109 ALA F C 1 ATOM 8034 O O . ALA F 4 95 ? 19.554 -2.003 -119.075 1.00 10.45 ? 109 ALA F O 1 ATOM 8035 C CB . ALA F 4 95 ? 16.902 -3.335 -117.450 1.00 10.08 ? 109 ALA F CB 1 ATOM 8036 N N . PRO F 4 96 ? 18.784 -0.697 -117.416 1.00 10.65 ? 110 PRO F N 1 ATOM 8037 C CA . PRO F 4 96 ? 20.070 0.028 -117.331 1.00 10.65 ? 110 PRO F CA 1 ATOM 8038 C C . PRO F 4 96 ? 21.125 -0.553 -116.359 1.00 14.41 ? 110 PRO F C 1 ATOM 8039 O O . PRO F 4 96 ? 22.020 0.177 -115.911 1.00 14.58 ? 110 PRO F O 1 ATOM 8040 C CB . PRO F 4 96 ? 19.618 1.426 -116.893 1.00 10.99 ? 110 PRO F CB 1 ATOM 8041 C CG . PRO F 4 96 ? 18.464 1.150 -116.014 1.00 13.60 ? 110 PRO F CG 1 ATOM 8042 C CD . PRO F 4 96 ? 17.793 -0.100 -116.497 1.00 11.14 ? 110 PRO F CD 1 ATOM 8043 N N . GLY F 4 97 ? 21.043 -1.847 -116.088 1.00 12.19 ? 111 GLY F N 1 ATOM 8044 C CA . GLY F 4 97 ? 21.981 -2.541 -115.213 1.00 12.40 ? 111 GLY F CA 1 ATOM 8045 C C . GLY F 4 97 ? 23.084 -3.264 -115.963 1.00 15.48 ? 111 GLY F C 1 ATOM 8046 O O . GLY F 4 97 ? 23.712 -2.701 -116.865 1.00 14.54 ? 111 GLY F O 1 ATOM 8047 N N . SER F 4 98 ? 23.294 -4.540 -115.617 1.00 14.28 ? 113 SER F N 1 ATOM 8048 C CA . SER F 4 98 ? 24.307 -5.402 -116.218 1.00 14.50 ? 113 SER F CA 1 ATOM 8049 C C . SER F 4 98 ? 23.812 -6.028 -117.505 1.00 18.06 ? 113 SER F C 1 ATOM 8050 O O . SER F 4 98 ? 24.474 -6.923 -118.041 1.00 19.34 ? 113 SER F O 1 ATOM 8051 C CB . SER F 4 98 ? 24.713 -6.500 -115.240 1.00 17.44 ? 113 SER F CB 1 ATOM 8052 O OG . SER F 4 98 ? 25.357 -5.927 -114.120 1.00 24.79 ? 113 SER F OG 1 ATOM 8053 N N . ASP F 4 99 ? 22.652 -5.577 -118.003 1.00 14.85 ? 114 ASP F N 1 ATOM 8054 C CA . ASP F 4 99 ? 22.058 -6.086 -119.238 1.00 14.43 ? 114 ASP F CA 1 ATOM 8055 C C . ASP F 4 99 ? 23.025 -5.953 -120.388 1.00 16.17 ? 114 ASP F C 1 ATOM 8056 O O . ASP F 4 99 ? 23.799 -4.998 -120.457 1.00 15.71 ? 114 ASP F O 1 ATOM 8057 C CB . ASP F 4 99 ? 20.758 -5.348 -119.570 1.00 15.59 ? 114 ASP F CB 1 ATOM 8058 C CG . ASP F 4 99 ? 19.747 -5.338 -118.458 1.00 28.95 ? 114 ASP F CG 1 ATOM 8059 O OD1 . ASP F 4 99 ? 20.044 -4.748 -117.394 1.00 28.46 ? 114 ASP F OD1 1 ATOM 8060 O OD2 . ASP F 4 99 ? 18.633 -5.873 -118.667 1.00 40.96 -1 114 ASP F OD2 1 ATOM 8061 N N . THR F 4 100 ? 23.003 -6.936 -121.273 1.00 13.97 ? 115 THR F N 1 ATOM 8062 C CA . THR F 4 100 ? 23.848 -6.983 -122.451 1.00 13.23 ? 115 THR F CA 1 ATOM 8063 C C . THR F 4 100 ? 23.583 -5.762 -123.308 1.00 14.73 ? 115 THR F C 1 ATOM 8064 O O . THR F 4 100 ? 22.435 -5.487 -123.673 1.00 14.62 ? 115 THR F O 1 ATOM 8065 C CB . THR F 4 100 ? 23.601 -8.285 -123.219 1.00 17.36 ? 115 THR F CB 1 ATOM 8066 O OG1 . THR F 4 100 ? 23.838 -9.392 -122.348 1.00 20.44 ? 115 THR F OG1 1 ATOM 8067 C CG2 . THR F 4 100 ? 24.452 -8.391 -124.460 1.00 15.04 ? 115 THR F CG2 1 ATOM 8068 N N . GLN F 4 101 ? 24.650 -5.020 -123.596 1.00 11.38 ? 116 GLN F N 1 ATOM 8069 C CA . GLN F 4 101 ? 24.607 -3.845 -124.448 1.00 10.77 ? 116 GLN F CA 1 ATOM 8070 C C . GLN F 4 101 ? 24.879 -4.263 -125.897 1.00 14.27 ? 116 GLN F C 1 ATOM 8071 O O . GLN F 4 101 ? 25.902 -4.878 -126.192 1.00 13.68 ? 116 GLN F O 1 ATOM 8072 C CB . GLN F 4 101 ? 25.602 -2.798 -123.963 1.00 10.47 ? 116 GLN F CB 1 ATOM 8073 C CG . GLN F 4 101 ? 25.351 -2.338 -122.523 1.00 7.91 ? 116 GLN F CG 1 ATOM 8074 C CD . GLN F 4 101 ? 26.439 -1.408 -122.077 1.00 14.52 ? 116 GLN F CD 1 ATOM 8075 O OE1 . GLN F 4 101 ? 27.123 -0.789 -122.886 1.00 13.58 ? 116 GLN F OE1 1 ATOM 8076 N NE2 . GLN F 4 101 ? 26.591 -1.240 -120.779 1.00 8.96 ? 116 GLN F NE2 1 ATOM 8077 N N . TYR F 4 102 ? 23.915 -4.000 -126.779 1.00 13.47 ? 117 TYR F N 1 ATOM 8078 C CA . TYR F 4 102 ? 23.993 -4.350 -128.207 1.00 13.40 ? 117 TYR F CA 1 ATOM 8079 C C . TYR F 4 102 ? 24.387 -3.115 -128.983 1.00 14.32 ? 117 TYR F C 1 ATOM 8080 O O . TYR F 4 102 ? 23.761 -2.081 -128.814 1.00 13.06 ? 117 TYR F O 1 ATOM 8081 C CB . TYR F 4 102 ? 22.657 -4.929 -128.691 1.00 14.89 ? 117 TYR F CB 1 ATOM 8082 C CG . TYR F 4 102 ? 22.318 -6.234 -128.015 1.00 17.29 ? 117 TYR F CG 1 ATOM 8083 C CD1 . TYR F 4 102 ? 21.629 -6.258 -126.805 1.00 19.05 ? 117 TYR F CD1 1 ATOM 8084 C CD2 . TYR F 4 102 ? 22.728 -7.452 -128.559 1.00 19.12 ? 117 TYR F CD2 1 ATOM 8085 C CE1 . TYR F 4 102 ? 21.324 -7.462 -126.171 1.00 20.41 ? 117 TYR F CE1 1 ATOM 8086 C CE2 . TYR F 4 102 ? 22.403 -8.665 -127.949 1.00 20.27 ? 117 TYR F CE2 1 ATOM 8087 C CZ . TYR F 4 102 ? 21.704 -8.663 -126.754 1.00 27.60 ? 117 TYR F CZ 1 ATOM 8088 O OH . TYR F 4 102 ? 21.420 -9.850 -126.131 1.00 28.83 ? 117 TYR F OH 1 ATOM 8089 N N . PHE F 4 103 ? 25.446 -3.207 -129.794 1.00 11.05 ? 118 PHE F N 1 ATOM 8090 C CA . PHE F 4 103 ? 25.990 -2.055 -130.502 1.00 10.58 ? 118 PHE F CA 1 ATOM 8091 C C . PHE F 4 103 ? 25.383 -1.806 -131.877 1.00 13.74 ? 118 PHE F C 1 ATOM 8092 O O . PHE F 4 103 ? 24.938 -2.730 -132.551 1.00 13.22 ? 118 PHE F O 1 ATOM 8093 C CB . PHE F 4 103 ? 27.514 -2.189 -130.630 1.00 11.09 ? 118 PHE F CB 1 ATOM 8094 C CG . PHE F 4 103 ? 28.267 -1.889 -129.353 1.00 11.84 ? 118 PHE F CG 1 ATOM 8095 C CD1 . PHE F 4 103 ? 28.308 -2.816 -128.312 1.00 14.37 ? 118 PHE F CD1 1 ATOM 8096 C CD2 . PHE F 4 103 ? 28.936 -0.680 -129.190 1.00 12.76 ? 118 PHE F CD2 1 ATOM 8097 C CE1 . PHE F 4 103 ? 28.989 -2.532 -127.129 1.00 14.35 ? 118 PHE F CE1 1 ATOM 8098 C CE2 . PHE F 4 103 ? 29.635 -0.408 -128.016 1.00 14.89 ? 118 PHE F CE2 1 ATOM 8099 C CZ . PHE F 4 103 ? 29.654 -1.332 -126.989 1.00 12.91 ? 118 PHE F CZ 1 ATOM 8100 N N . GLY F 4 104 ? 25.366 -0.519 -132.242 1.00 11.27 ? 119 GLY F N 1 ATOM 8101 C CA . GLY F 4 104 ? 24.943 -0.006 -133.539 1.00 11.36 ? 119 GLY F CA 1 ATOM 8102 C C . GLY F 4 104 ? 26.088 -0.060 -134.534 1.00 15.33 ? 119 GLY F C 1 ATOM 8103 O O . GLY F 4 104 ? 27.200 -0.446 -134.160 1.00 13.95 ? 119 GLY F O 1 ATOM 8104 N N . PRO F 4 105 ? 25.864 0.336 -135.814 1.00 13.47 ? 120 PRO F N 1 ATOM 8105 C CA . PRO F 4 105 ? 26.934 0.220 -136.814 1.00 13.57 ? 120 PRO F CA 1 ATOM 8106 C C . PRO F 4 105 ? 28.001 1.321 -136.721 1.00 18.40 ? 120 PRO F C 1 ATOM 8107 O O . PRO F 4 105 ? 29.020 1.230 -137.405 1.00 17.35 ? 120 PRO F O 1 ATOM 8108 C CB . PRO F 4 105 ? 26.165 0.273 -138.141 1.00 15.39 ? 120 PRO F CB 1 ATOM 8109 C CG . PRO F 4 105 ? 25.003 1.094 -137.845 1.00 19.66 ? 120 PRO F CG 1 ATOM 8110 C CD . PRO F 4 105 ? 24.604 0.782 -136.441 1.00 15.06 ? 120 PRO F CD 1 ATOM 8111 N N . GLY F 4 106 ? 27.757 2.334 -135.886 1.00 15.97 ? 121 GLY F N 1 ATOM 8112 C CA . GLY F 4 106 ? 28.688 3.434 -135.656 1.00 15.54 ? 121 GLY F CA 1 ATOM 8113 C C . GLY F 4 106 ? 28.624 4.587 -136.636 1.00 19.40 ? 121 GLY F C 1 ATOM 8114 O O . GLY F 4 106 ? 28.088 4.455 -137.738 1.00 20.07 ? 121 GLY F O 1 ATOM 8115 N N . THR F 4 107 ? 29.134 5.745 -136.200 1.00 14.73 ? 122 THR F N 1 ATOM 8116 C CA . THR F 4 107 ? 29.290 6.946 -137.009 1.00 13.99 ? 122 THR F CA 1 ATOM 8117 C C . THR F 4 107 ? 30.761 7.234 -137.034 1.00 16.96 ? 122 THR F C 1 ATOM 8118 O O . THR F 4 107 ? 31.367 7.415 -135.971 1.00 15.98 ? 122 THR F O 1 ATOM 8119 C CB . THR F 4 107 ? 28.469 8.148 -136.490 1.00 16.46 ? 122 THR F CB 1 ATOM 8120 O OG1 . THR F 4 107 ? 27.076 7.856 -136.575 1.00 15.01 ? 122 THR F OG1 1 ATOM 8121 C CG2 . THR F 4 107 ? 28.759 9.432 -137.275 1.00 9.92 ? 122 THR F CG2 1 ATOM 8122 N N . ARG F 4 108 ? 31.343 7.266 -138.236 1.00 13.50 ? 123 ARG F N 1 ATOM 8123 C CA . ARG F 4 108 ? 32.743 7.604 -138.363 1.00 12.61 ? 123 ARG F CA 1 ATOM 8124 C C . ARG F 4 108 ? 32.878 9.124 -138.587 1.00 15.23 ? 123 ARG F C 1 ATOM 8125 O O . ARG F 4 108 ? 32.388 9.677 -139.578 1.00 14.76 ? 123 ARG F O 1 ATOM 8126 C CB . ARG F 4 108 ? 33.421 6.803 -139.471 1.00 13.24 ? 123 ARG F CB 1 ATOM 8127 C CG . ARG F 4 108 ? 34.939 6.929 -139.410 1.00 20.61 ? 123 ARG F CG 1 ATOM 8128 C CD . ARG F 4 108 ? 35.592 6.445 -140.670 1.00 29.90 ? 123 ARG F CD 1 ATOM 8129 N NE . ARG F 4 108 ? 37.012 6.771 -140.652 1.00 36.68 ? 123 ARG F NE 1 ATOM 8130 C CZ . ARG F 4 108 ? 37.793 6.811 -141.725 1.00 47.66 ? 123 ARG F CZ 1 ATOM 8131 N NH1 . ARG F 4 108 ? 37.295 6.554 -142.927 1.00 34.41 1 123 ARG F NH1 1 ATOM 8132 N NH2 . ARG F 4 108 ? 39.076 7.118 -141.605 1.00 35.20 ? 123 ARG F NH2 1 ATOM 8133 N N . LEU F 4 109 ? 33.539 9.783 -137.645 1.00 11.64 ? 124 LEU F N 1 ATOM 8134 C CA . LEU F 4 109 ? 33.765 11.213 -137.696 1.00 11.61 ? 124 LEU F CA 1 ATOM 8135 C C . LEU F 4 109 ? 35.191 11.567 -138.141 1.00 16.58 ? 124 LEU F C 1 ATOM 8136 O O . LEU F 4 109 ? 36.169 11.091 -137.555 1.00 16.15 ? 124 LEU F O 1 ATOM 8137 C CB . LEU F 4 109 ? 33.488 11.831 -136.313 1.00 11.09 ? 124 LEU F CB 1 ATOM 8138 C CG . LEU F 4 109 ? 33.790 13.324 -136.158 1.00 14.79 ? 124 LEU F CG 1 ATOM 8139 C CD1 . LEU F 4 109 ? 32.860 14.163 -137.029 1.00 14.78 ? 124 LEU F CD1 1 ATOM 8140 C CD2 . LEU F 4 109 ? 33.725 13.755 -134.697 1.00 15.76 ? 124 LEU F CD2 1 ATOM 8141 N N . THR F 4 110 ? 35.297 12.464 -139.133 1.00 14.14 ? 125 THR F N 1 ATOM 8142 C CA . THR F 4 110 ? 36.586 13.007 -139.543 1.00 14.11 ? 125 THR F CA 1 ATOM 8143 C C . THR F 4 110 ? 36.512 14.511 -139.404 1.00 17.03 ? 125 THR F C 1 ATOM 8144 O O . THR F 4 110 ? 35.685 15.173 -140.033 1.00 16.00 ? 125 THR F O 1 ATOM 8145 C CB . THR F 4 110 ? 37.033 12.526 -140.930 1.00 24.31 ? 125 THR F CB 1 ATOM 8146 O OG1 . THR F 4 110 ? 37.365 11.146 -140.811 1.00 30.16 ? 125 THR F OG1 1 ATOM 8147 C CG2 . THR F 4 110 ? 38.264 13.259 -141.434 1.00 21.01 ? 125 THR F CG2 1 ATOM 8148 N N . VAL F 4 111 ? 37.390 15.031 -138.547 1.00 14.55 ? 126 VAL F N 1 ATOM 8149 C CA . VAL F 4 111 ? 37.557 16.451 -138.285 1.00 15.20 ? 126 VAL F CA 1 ATOM 8150 C C . VAL F 4 111 ? 38.794 16.914 -139.052 1.00 19.62 ? 126 VAL F C 1 ATOM 8151 O O . VAL F 4 111 ? 39.869 16.341 -138.903 1.00 18.60 ? 126 VAL F O 1 ATOM 8152 C CB . VAL F 4 111 ? 37.643 16.773 -136.765 1.00 18.76 ? 126 VAL F CB 1 ATOM 8153 C CG1 . VAL F 4 111 ? 37.701 18.278 -136.531 1.00 18.77 ? 126 VAL F CG1 1 ATOM 8154 C CG2 . VAL F 4 111 ? 36.471 16.154 -135.997 1.00 18.10 ? 126 VAL F CG2 1 ATOM 8155 N N . LEU F 4 112 ? 38.627 17.927 -139.888 1.00 17.70 ? 127 LEU F N 1 ATOM 8156 C CA . LEU F 4 112 ? 39.715 18.491 -140.678 1.00 18.61 ? 127 LEU F CA 1 ATOM 8157 C C . LEU F 4 112 ? 39.902 19.966 -140.357 1.00 27.74 ? 127 LEU F C 1 ATOM 8158 O O . LEU F 4 112 ? 38.994 20.608 -139.844 1.00 26.35 ? 127 LEU F O 1 ATOM 8159 C CB . LEU F 4 112 ? 39.458 18.300 -142.183 1.00 18.21 ? 127 LEU F CB 1 ATOM 8160 C CG . LEU F 4 112 ? 39.314 16.864 -142.699 1.00 21.96 ? 127 LEU F CG 1 ATOM 8161 C CD1 . LEU F 4 112 ? 38.796 16.858 -144.110 1.00 22.35 ? 127 LEU F CD1 1 ATOM 8162 C CD2 . LEU F 4 112 ? 40.640 16.095 -142.624 1.00 22.32 ? 127 LEU F CD2 1 ATOM 8163 N N . GLU F 4 113 ? 41.084 20.507 -140.640 1.00 30.22 ? 128 GLU F N 1 ATOM 8164 C CA . GLU F 4 113 ? 41.314 21.923 -140.393 1.00 33.07 ? 128 GLU F CA 1 ATOM 8165 C C . GLU F 4 113 ? 40.741 22.756 -141.555 1.00 41.28 ? 128 GLU F C 1 ATOM 8166 O O . GLU F 4 113 ? 40.192 23.838 -141.318 1.00 40.91 ? 128 GLU F O 1 ATOM 8167 C CB . GLU F 4 113 ? 42.784 22.214 -140.119 1.00 35.13 ? 128 GLU F CB 1 ATOM 8168 C CG . GLU F 4 113 ? 42.964 22.560 -138.652 1.00 47.89 ? 128 GLU F CG 1 ATOM 8169 C CD . GLU F 4 113 ? 44.163 21.981 -137.927 1.00 72.73 ? 128 GLU F CD 1 ATOM 8170 O OE1 . GLU F 4 113 ? 45.091 21.473 -138.599 1.00 73.83 ? 128 GLU F OE1 1 ATOM 8171 O OE2 . GLU F 4 113 ? 44.187 22.075 -136.678 1.00 65.40 -1 128 GLU F OE2 1 ATOM 8172 N N . ASP F 4 114 ? 40.803 22.213 -142.793 1.00 40.57 ? 129 ASP F N 1 ATOM 8173 C CA . ASP F 4 114 ? 40.226 22.848 -143.980 1.00 41.84 ? 129 ASP F CA 1 ATOM 8174 C C . ASP F 4 114 ? 39.665 21.778 -144.920 1.00 44.64 ? 129 ASP F C 1 ATOM 8175 O O . ASP F 4 114 ? 40.333 20.779 -145.223 1.00 43.95 ? 129 ASP F O 1 ATOM 8176 C CB . ASP F 4 114 ? 41.224 23.787 -144.706 1.00 45.06 ? 129 ASP F CB 1 ATOM 8177 C CG . ASP F 4 114 ? 42.468 23.136 -145.290 1.00 61.13 ? 129 ASP F CG 1 ATOM 8178 O OD1 . ASP F 4 114 ? 43.256 22.548 -144.510 1.00 62.57 -1 129 ASP F OD1 1 ATOM 8179 O OD2 . ASP F 4 114 ? 42.694 23.281 -146.516 1.00 69.25 ? 129 ASP F OD2 1 ATOM 8180 N N . LEU F 4 115 ? 38.425 22.004 -145.373 1.00 39.93 ? 130 LEU F N 1 ATOM 8181 C CA . LEU F 4 115 ? 37.697 21.115 -146.277 1.00 38.77 ? 130 LEU F CA 1 ATOM 8182 C C . LEU F 4 115 ? 38.202 21.237 -147.739 1.00 42.07 ? 130 LEU F C 1 ATOM 8183 O O . LEU F 4 115 ? 37.810 20.429 -148.581 1.00 41.58 ? 130 LEU F O 1 ATOM 8184 C CB . LEU F 4 115 ? 36.182 21.391 -146.189 1.00 38.79 ? 130 LEU F CB 1 ATOM 8185 C CG . LEU F 4 115 ? 35.556 21.381 -144.775 1.00 43.07 ? 130 LEU F CG 1 ATOM 8186 C CD1 . LEU F 4 115 ? 34.112 21.814 -144.821 1.00 43.72 ? 130 LEU F CD1 1 ATOM 8187 C CD2 . LEU F 4 115 ? 35.665 20.007 -144.104 1.00 44.53 ? 130 LEU F CD2 1 ATOM 8188 N N . LYS F 4 116 ? 39.117 22.197 -148.018 1.00 38.27 ? 131 LYS F N 1 ATOM 8189 C CA . LYS F 4 116 ? 39.723 22.438 -149.335 1.00 38.25 ? 131 LYS F CA 1 ATOM 8190 C C . LYS F 4 116 ? 40.578 21.243 -149.811 1.00 41.78 ? 131 LYS F C 1 ATOM 8191 O O . LYS F 4 116 ? 40.942 21.187 -150.986 1.00 42.61 ? 131 LYS F O 1 ATOM 8192 C CB . LYS F 4 116 ? 40.579 23.713 -149.301 1.00 41.26 ? 131 LYS F CB 1 ATOM 8193 N N . ASN F 4 117 ? 40.877 20.292 -148.903 1.00 36.17 ? 132 ASN F N 1 ATOM 8194 C CA . ASN F 4 117 ? 41.658 19.079 -149.160 1.00 34.65 ? 132 ASN F CA 1 ATOM 8195 C C . ASN F 4 117 ? 40.753 17.861 -149.453 1.00 34.84 ? 132 ASN F C 1 ATOM 8196 O O . ASN F 4 117 ? 41.273 16.777 -149.722 1.00 34.12 ? 132 ASN F O 1 ATOM 8197 C CB . ASN F 4 117 ? 42.567 18.770 -147.941 1.00 38.41 ? 132 ASN F CB 1 ATOM 8198 C CG . ASN F 4 117 ? 43.940 19.434 -147.911 1.00 69.03 ? 132 ASN F CG 1 ATOM 8199 O OD1 . ASN F 4 117 ? 44.725 19.227 -146.973 1.00 62.21 ? 132 ASN F OD1 1 ATOM 8200 N ND2 . ASN F 4 117 ? 44.285 20.227 -148.929 1.00 62.45 ? 132 ASN F ND2 1 ATOM 8201 N N . VAL F 4 118 ? 39.412 18.035 -149.387 1.00 28.40 ? 133 VAL F N 1 ATOM 8202 C CA . VAL F 4 118 ? 38.423 16.968 -149.611 1.00 25.79 ? 133 VAL F CA 1 ATOM 8203 C C . VAL F 4 118 ? 38.192 16.822 -151.116 1.00 26.91 ? 133 VAL F C 1 ATOM 8204 O O . VAL F 4 118 ? 37.829 17.794 -151.779 1.00 27.31 ? 133 VAL F O 1 ATOM 8205 C CB . VAL F 4 118 ? 37.091 17.203 -148.833 1.00 29.05 ? 133 VAL F CB 1 ATOM 8206 C CG1 . VAL F 4 118 ? 36.081 16.079 -149.073 1.00 28.33 ? 133 VAL F CG1 1 ATOM 8207 C CG2 . VAL F 4 118 ? 37.348 17.369 -147.342 1.00 28.52 ? 133 VAL F CG2 1 ATOM 8208 N N . PHE F 4 119 ? 38.431 15.613 -151.650 1.00 21.10 ? 134 PHE F N 1 ATOM 8209 C CA . PHE F 4 119 ? 38.268 15.305 -153.074 1.00 20.28 ? 134 PHE F CA 1 ATOM 8210 C C . PHE F 4 119 ? 37.521 13.981 -153.283 1.00 23.22 ? 134 PHE F C 1 ATOM 8211 O O . PHE F 4 119 ? 37.798 13.009 -152.577 1.00 21.02 ? 134 PHE F O 1 ATOM 8212 C CB . PHE F 4 119 ? 39.637 15.223 -153.784 1.00 21.56 ? 134 PHE F CB 1 ATOM 8213 C CG . PHE F 4 119 ? 40.422 16.512 -153.884 1.00 22.72 ? 134 PHE F CG 1 ATOM 8214 C CD1 . PHE F 4 119 ? 40.267 17.356 -154.976 1.00 25.80 ? 134 PHE F CD1 1 ATOM 8215 C CD2 . PHE F 4 119 ? 41.354 16.854 -152.914 1.00 24.36 ? 134 PHE F CD2 1 ATOM 8216 C CE1 . PHE F 4 119 ? 41.017 18.530 -155.083 1.00 26.84 ? 134 PHE F CE1 1 ATOM 8217 C CE2 . PHE F 4 119 ? 42.089 18.038 -153.011 1.00 27.35 ? 134 PHE F CE2 1 ATOM 8218 C CZ . PHE F 4 119 ? 41.915 18.867 -154.094 1.00 25.72 ? 134 PHE F CZ 1 ATOM 8219 N N . PRO F 4 120 ? 36.624 13.886 -154.292 1.00 20.89 ? 135 PRO F N 1 ATOM 8220 C CA . PRO F 4 120 ? 35.980 12.589 -154.558 1.00 20.36 ? 135 PRO F CA 1 ATOM 8221 C C . PRO F 4 120 ? 36.945 11.661 -155.322 1.00 24.06 ? 135 PRO F C 1 ATOM 8222 O O . PRO F 4 120 ? 37.962 12.127 -155.858 1.00 23.22 ? 135 PRO F O 1 ATOM 8223 C CB . PRO F 4 120 ? 34.753 12.973 -155.391 1.00 22.72 ? 135 PRO F CB 1 ATOM 8224 C CG . PRO F 4 120 ? 35.193 14.191 -156.141 1.00 28.04 ? 135 PRO F CG 1 ATOM 8225 C CD . PRO F 4 120 ? 36.192 14.919 -155.264 1.00 23.36 ? 135 PRO F CD 1 ATOM 8226 N N . PRO F 4 121 ? 36.669 10.348 -155.411 1.00 20.84 ? 136 PRO F N 1 ATOM 8227 C CA . PRO F 4 121 ? 37.591 9.482 -156.148 1.00 20.64 ? 136 PRO F CA 1 ATOM 8228 C C . PRO F 4 121 ? 37.367 9.445 -157.653 1.00 26.64 ? 136 PRO F C 1 ATOM 8229 O O . PRO F 4 121 ? 36.254 9.650 -158.145 1.00 25.74 ? 136 PRO F O 1 ATOM 8230 C CB . PRO F 4 121 ? 37.293 8.097 -155.570 1.00 22.16 ? 136 PRO F CB 1 ATOM 8231 C CG . PRO F 4 121 ? 35.868 8.155 -155.182 1.00 26.94 ? 136 PRO F CG 1 ATOM 8232 C CD . PRO F 4 121 ? 35.538 9.580 -154.847 1.00 22.47 ? 136 PRO F CD 1 ATOM 8233 N N . GLU F 4 122 ? 38.444 9.109 -158.374 1.00 25.56 ? 137 GLU F N 1 ATOM 8234 C CA . GLU F 4 122 ? 38.419 8.781 -159.792 1.00 26.36 ? 137 GLU F CA 1 ATOM 8235 C C . GLU F 4 122 ? 38.427 7.255 -159.806 1.00 29.01 ? 137 GLU F C 1 ATOM 8236 O O . GLU F 4 122 ? 39.189 6.654 -159.041 1.00 27.04 ? 137 GLU F O 1 ATOM 8237 C CB . GLU F 4 122 ? 39.597 9.397 -160.561 1.00 28.13 ? 137 GLU F CB 1 ATOM 8238 C CG . GLU F 4 122 ? 39.668 10.913 -160.490 1.00 43.67 ? 137 GLU F CG 1 ATOM 8239 C CD . GLU F 4 122 ? 41.086 11.431 -160.333 1.00 77.23 ? 137 GLU F CD 1 ATOM 8240 O OE1 . GLU F 4 122 ? 41.677 11.845 -161.356 1.00 84.94 ? 137 GLU F OE1 1 ATOM 8241 O OE2 . GLU F 4 122 ? 41.620 11.388 -159.200 1.00 72.13 -1 137 GLU F OE2 1 ATOM 8242 N N . VAL F 4 123 ? 37.512 6.630 -160.568 1.00 26.24 ? 138 VAL F N 1 ATOM 8243 C CA . VAL F 4 123 ? 37.358 5.172 -160.609 1.00 26.05 ? 138 VAL F CA 1 ATOM 8244 C C . VAL F 4 123 ? 37.676 4.648 -162.023 1.00 31.18 ? 138 VAL F C 1 ATOM 8245 O O . VAL F 4 123 ? 37.186 5.191 -163.016 1.00 31.38 ? 138 VAL F O 1 ATOM 8246 C CB . VAL F 4 123 ? 35.938 4.713 -160.129 1.00 30.04 ? 138 VAL F CB 1 ATOM 8247 C CG1 . VAL F 4 123 ? 35.856 3.195 -160.025 1.00 29.99 ? 138 VAL F CG1 1 ATOM 8248 C CG2 . VAL F 4 123 ? 35.568 5.341 -158.784 1.00 29.35 ? 138 VAL F CG2 1 ATOM 8249 N N . ALA F 4 124 ? 38.496 3.586 -162.092 1.00 28.69 ? 139 ALA F N 1 ATOM 8250 C CA . ALA F 4 124 ? 38.899 2.935 -163.336 1.00 29.20 ? 139 ALA F CA 1 ATOM 8251 C C . ALA F 4 124 ? 38.811 1.426 -163.203 1.00 33.42 ? 139 ALA F C 1 ATOM 8252 O O . ALA F 4 124 ? 39.092 0.877 -162.137 1.00 32.52 ? 139 ALA F O 1 ATOM 8253 C CB . ALA F 4 124 ? 40.315 3.347 -163.716 1.00 29.47 ? 139 ALA F CB 1 ATOM 8254 N N . VAL F 4 125 ? 38.411 0.759 -164.283 1.00 30.54 ? 140 VAL F N 1 ATOM 8255 C CA . VAL F 4 125 ? 38.312 -0.698 -164.339 1.00 30.26 ? 140 VAL F CA 1 ATOM 8256 C C . VAL F 4 125 ? 39.386 -1.210 -165.318 1.00 32.65 ? 140 VAL F C 1 ATOM 8257 O O . VAL F 4 125 ? 39.566 -0.659 -166.409 1.00 33.36 ? 140 VAL F O 1 ATOM 8258 C CB . VAL F 4 125 ? 36.872 -1.175 -164.680 1.00 35.21 ? 140 VAL F CB 1 ATOM 8259 C CG1 . VAL F 4 125 ? 36.853 -2.582 -165.264 1.00 35.78 ? 140 VAL F CG1 1 ATOM 8260 C CG2 . VAL F 4 125 ? 35.987 -1.113 -163.444 1.00 34.99 ? 140 VAL F CG2 1 ATOM 8261 N N . PHE F 4 126 ? 40.119 -2.243 -164.894 1.00 26.74 ? 141 PHE F N 1 ATOM 8262 C CA . PHE F 4 126 ? 41.187 -2.858 -165.674 1.00 25.86 ? 141 PHE F CA 1 ATOM 8263 C C . PHE F 4 126 ? 40.752 -4.265 -166.040 1.00 30.36 ? 141 PHE F C 1 ATOM 8264 O O . PHE F 4 126 ? 40.396 -5.067 -165.168 1.00 29.59 ? 141 PHE F O 1 ATOM 8265 C CB . PHE F 4 126 ? 42.514 -2.806 -164.904 1.00 26.47 ? 141 PHE F CB 1 ATOM 8266 C CG . PHE F 4 126 ? 42.940 -1.376 -164.659 1.00 26.82 ? 141 PHE F CG 1 ATOM 8267 C CD1 . PHE F 4 126 ? 42.488 -0.679 -163.542 1.00 28.44 ? 141 PHE F CD1 1 ATOM 8268 C CD2 . PHE F 4 126 ? 43.743 -0.706 -165.574 1.00 28.70 ? 141 PHE F CD2 1 ATOM 8269 C CE1 . PHE F 4 126 ? 42.852 0.650 -163.336 1.00 28.59 ? 141 PHE F CE1 1 ATOM 8270 C CE2 . PHE F 4 126 ? 44.111 0.624 -165.362 1.00 30.86 ? 141 PHE F CE2 1 ATOM 8271 C CZ . PHE F 4 126 ? 43.668 1.290 -164.241 1.00 28.14 ? 141 PHE F CZ 1 ATOM 8272 N N . GLU F 4 127 ? 40.678 -4.519 -167.347 1.00 27.59 ? 142 GLU F N 1 ATOM 8273 C CA . GLU F 4 127 ? 40.193 -5.778 -167.892 1.00 28.48 ? 142 GLU F CA 1 ATOM 8274 C C . GLU F 4 127 ? 41.217 -6.900 -167.654 1.00 33.07 ? 142 GLU F C 1 ATOM 8275 O O . GLU F 4 127 ? 42.418 -6.615 -167.566 1.00 32.72 ? 142 GLU F O 1 ATOM 8276 C CB . GLU F 4 127 ? 39.830 -5.621 -169.381 1.00 30.55 ? 142 GLU F CB 1 ATOM 8277 C CG . GLU F 4 127 ? 38.647 -4.685 -169.573 1.00 40.17 ? 142 GLU F CG 1 ATOM 8278 C CD . GLU F 4 127 ? 38.151 -4.451 -170.985 1.00 64.87 ? 142 GLU F CD 1 ATOM 8279 O OE1 . GLU F 4 127 ? 38.212 -5.390 -171.812 1.00 66.80 ? 142 GLU F OE1 1 ATOM 8280 O OE2 . GLU F 4 127 ? 37.648 -3.335 -171.249 1.00 58.99 -1 142 GLU F OE2 1 ATOM 8281 N N . PRO F 4 128 ? 40.748 -8.164 -167.495 1.00 29.60 ? 143 PRO F N 1 ATOM 8282 C CA . PRO F 4 128 ? 41.670 -9.266 -167.192 1.00 29.12 ? 143 PRO F CA 1 ATOM 8283 C C . PRO F 4 128 ? 42.743 -9.544 -168.242 1.00 32.84 ? 143 PRO F C 1 ATOM 8284 O O . PRO F 4 128 ? 42.584 -9.250 -169.432 1.00 32.82 ? 143 PRO F O 1 ATOM 8285 C CB . PRO F 4 128 ? 40.739 -10.478 -167.078 1.00 31.90 ? 143 PRO F CB 1 ATOM 8286 C CG . PRO F 4 128 ? 39.418 -9.915 -166.739 1.00 36.55 ? 143 PRO F CG 1 ATOM 8287 C CD . PRO F 4 128 ? 39.348 -8.637 -167.494 1.00 32.05 ? 143 PRO F CD 1 ATOM 8288 N N . SER F 4 129 ? 43.842 -10.146 -167.768 1.00 28.70 ? 144 SER F N 1 ATOM 8289 C CA . SER F 4 129 ? 44.976 -10.585 -168.568 1.00 27.93 ? 144 SER F CA 1 ATOM 8290 C C . SER F 4 129 ? 44.578 -11.797 -169.397 1.00 32.66 ? 144 SER F C 1 ATOM 8291 O O . SER F 4 129 ? 43.907 -12.698 -168.881 1.00 31.69 ? 144 SER F O 1 ATOM 8292 C CB . SER F 4 129 ? 46.146 -10.935 -167.656 1.00 29.55 ? 144 SER F CB 1 ATOM 8293 O OG . SER F 4 129 ? 47.270 -11.412 -168.375 1.00 38.54 ? 144 SER F OG 1 ATOM 8294 N N . GLU F 4 130 ? 44.991 -11.825 -170.680 1.00 30.80 ? 145 GLU F N 1 ATOM 8295 C CA . GLU F 4 130 ? 44.718 -12.969 -171.543 1.00 32.62 ? 145 GLU F CA 1 ATOM 8296 C C . GLU F 4 130 ? 45.629 -14.144 -171.159 1.00 36.70 ? 145 GLU F C 1 ATOM 8297 O O . GLU F 4 130 ? 45.248 -15.303 -171.341 1.00 37.87 ? 145 GLU F O 1 ATOM 8298 C CB . GLU F 4 130 ? 44.863 -12.609 -173.027 1.00 34.71 ? 145 GLU F CB 1 ATOM 8299 C CG . GLU F 4 130 ? 43.535 -12.269 -173.691 1.00 48.32 ? 145 GLU F CG 1 ATOM 8300 C CD . GLU F 4 130 ? 42.454 -13.337 -173.648 1.00 74.06 ? 145 GLU F CD 1 ATOM 8301 O OE1 . GLU F 4 130 ? 42.771 -14.535 -173.848 1.00 62.55 ? 145 GLU F OE1 1 ATOM 8302 O OE2 . GLU F 4 130 ? 41.280 -12.969 -173.414 1.00 74.20 -1 145 GLU F OE2 1 ATOM 8303 N N . ALA F 4 131 ? 46.809 -13.826 -170.581 1.00 31.92 ? 146 ALA F N 1 ATOM 8304 C CA . ALA F 4 131 ? 47.802 -14.777 -170.081 1.00 31.62 ? 146 ALA F CA 1 ATOM 8305 C C . ALA F 4 131 ? 47.244 -15.560 -168.879 1.00 35.12 ? 146 ALA F C 1 ATOM 8306 O O . ALA F 4 131 ? 47.552 -16.742 -168.720 1.00 36.03 ? 146 ALA F O 1 ATOM 8307 C CB . ALA F 4 131 ? 49.070 -14.035 -169.682 1.00 31.14 ? 146 ALA F CB 1 ATOM 8308 N N . GLU F 4 132 ? 46.424 -14.889 -168.045 1.00 29.59 ? 147 GLU F N 1 ATOM 8309 C CA . GLU F 4 132 ? 45.774 -15.458 -166.871 1.00 29.27 ? 147 GLU F CA 1 ATOM 8310 C C . GLU F 4 132 ? 44.629 -16.380 -167.292 1.00 36.06 ? 147 GLU F C 1 ATOM 8311 O O . GLU F 4 132 ? 44.495 -17.469 -166.732 1.00 35.90 ? 147 GLU F O 1 ATOM 8312 C CB . GLU F 4 132 ? 45.265 -14.339 -165.952 1.00 29.21 ? 147 GLU F CB 1 ATOM 8313 C CG . GLU F 4 132 ? 44.684 -14.855 -164.647 1.00 36.67 ? 147 GLU F CG 1 ATOM 8314 C CD . GLU F 4 132 ? 43.609 -14.011 -163.997 1.00 47.07 ? 147 GLU F CD 1 ATOM 8315 O OE1 . GLU F 4 132 ? 43.217 -14.350 -162.858 1.00 34.94 ? 147 GLU F OE1 1 ATOM 8316 O OE2 . GLU F 4 132 ? 43.146 -13.029 -164.620 1.00 37.74 -1 147 GLU F OE2 1 ATOM 8317 N N . ILE F 4 133 ? 43.799 -15.929 -168.260 1.00 34.87 ? 148 ILE F N 1 ATOM 8318 C CA . ILE F 4 133 ? 42.653 -16.656 -168.821 1.00 36.66 ? 148 ILE F CA 1 ATOM 8319 C C . ILE F 4 133 ? 43.134 -17.988 -169.426 1.00 42.44 ? 148 ILE F C 1 ATOM 8320 O O . ILE F 4 133 ? 42.539 -19.028 -169.153 1.00 42.82 ? 148 ILE F O 1 ATOM 8321 C CB . ILE F 4 133 ? 41.901 -15.756 -169.856 1.00 39.85 ? 148 ILE F CB 1 ATOM 8322 C CG1 . ILE F 4 133 ? 41.033 -14.702 -169.134 1.00 39.56 ? 148 ILE F CG1 1 ATOM 8323 C CG2 . ILE F 4 133 ? 41.059 -16.571 -170.860 1.00 41.82 ? 148 ILE F CG2 1 ATOM 8324 C CD1 . ILE F 4 133 ? 40.759 -13.386 -169.928 1.00 46.93 ? 148 ILE F CD1 1 ATOM 8325 N N . SER F 4 134 ? 44.220 -17.961 -170.205 1.00 40.24 ? 149 SER F N 1 ATOM 8326 C CA . SER F 4 134 ? 44.760 -19.168 -170.836 1.00 42.07 ? 149 SER F CA 1 ATOM 8327 C C . SER F 4 134 ? 45.338 -20.161 -169.809 1.00 46.14 ? 149 SER F C 1 ATOM 8328 O O . SER F 4 134 ? 45.121 -21.366 -169.937 1.00 47.17 ? 149 SER F O 1 ATOM 8329 C CB . SER F 4 134 ? 45.832 -18.805 -171.865 1.00 46.22 ? 149 SER F CB 1 ATOM 8330 O OG . SER F 4 134 ? 46.999 -18.274 -171.253 1.00 55.68 ? 149 SER F OG 1 ATOM 8331 N N . HIS F 4 135 ? 46.056 -19.651 -168.796 1.00 41.25 ? 150 HIS F N 1 ATOM 8332 C CA . HIS F 4 135 ? 46.729 -20.466 -167.791 1.00 41.15 ? 150 HIS F CA 1 ATOM 8333 C C . HIS F 4 135 ? 45.803 -21.005 -166.686 1.00 44.88 ? 150 HIS F C 1 ATOM 8334 O O . HIS F 4 135 ? 45.964 -22.163 -166.300 1.00 45.82 ? 150 HIS F O 1 ATOM 8335 C CB . HIS F 4 135 ? 47.881 -19.669 -167.161 1.00 40.63 ? 150 HIS F CB 1 ATOM 8336 C CG . HIS F 4 135 ? 48.737 -20.466 -166.230 1.00 44.47 ? 150 HIS F CG 1 ATOM 8337 N ND1 . HIS F 4 135 ? 49.512 -21.513 -166.683 1.00 47.39 ? 150 HIS F ND1 1 ATOM 8338 C CD2 . HIS F 4 135 ? 48.924 -20.329 -164.897 1.00 45.76 ? 150 HIS F CD2 1 ATOM 8339 C CE1 . HIS F 4 135 ? 50.132 -21.989 -165.617 1.00 46.80 ? 150 HIS F CE1 1 ATOM 8340 N NE2 . HIS F 4 135 ? 49.819 -21.303 -164.523 1.00 46.13 ? 150 HIS F NE2 1 ATOM 8341 N N . THR F 4 136 ? 44.872 -20.192 -166.161 1.00 39.77 ? 151 THR F N 1 ATOM 8342 C CA . THR F 4 136 ? 44.031 -20.624 -165.034 1.00 39.63 ? 151 THR F CA 1 ATOM 8343 C C . THR F 4 136 ? 42.533 -20.780 -165.354 1.00 43.58 ? 151 THR F C 1 ATOM 8344 O O . THR F 4 136 ? 41.797 -21.291 -164.500 1.00 43.34 ? 151 THR F O 1 ATOM 8345 C CB . THR F 4 136 ? 44.183 -19.646 -163.851 1.00 45.92 ? 151 THR F CB 1 ATOM 8346 O OG1 . THR F 4 136 ? 43.732 -18.342 -164.236 1.00 44.24 ? 151 THR F OG1 1 ATOM 8347 C CG2 . THR F 4 136 ? 45.607 -19.603 -163.293 1.00 42.01 ? 151 THR F CG2 1 ATOM 8348 N N . GLN F 4 137 ? 42.078 -20.330 -166.553 1.00 40.07 ? 152 GLN F N 1 ATOM 8349 C CA . GLN F 4 137 ? 40.670 -20.337 -167.006 1.00 40.53 ? 152 GLN F CA 1 ATOM 8350 C C . GLN F 4 137 ? 39.768 -19.513 -166.044 1.00 42.88 ? 152 GLN F C 1 ATOM 8351 O O . GLN F 4 137 ? 38.546 -19.698 -165.987 1.00 43.16 ? 152 GLN F O 1 ATOM 8352 C CB . GLN F 4 137 ? 40.125 -21.765 -167.242 1.00 43.60 ? 152 GLN F CB 1 ATOM 8353 C CG . GLN F 4 137 ? 40.438 -22.315 -168.641 1.00 53.89 ? 152 GLN F CG 1 ATOM 8354 C CD . GLN F 4 137 ? 39.803 -21.514 -169.763 1.00 67.78 ? 152 GLN F CD 1 ATOM 8355 O OE1 . GLN F 4 137 ? 38.573 -21.410 -169.880 1.00 64.72 ? 152 GLN F OE1 1 ATOM 8356 N NE2 . GLN F 4 137 ? 40.635 -20.936 -170.623 1.00 53.71 ? 152 GLN F NE2 1 ATOM 8357 N N . LYS F 4 138 ? 40.405 -18.570 -165.332 1.00 37.22 ? 153 LYS F N 1 ATOM 8358 C CA . LYS F 4 138 ? 39.801 -17.614 -164.407 1.00 35.73 ? 153 LYS F CA 1 ATOM 8359 C C . LYS F 4 138 ? 40.211 -16.221 -164.871 1.00 38.20 ? 153 LYS F C 1 ATOM 8360 O O . LYS F 4 138 ? 41.288 -16.068 -165.467 1.00 37.61 ? 153 LYS F O 1 ATOM 8361 C CB . LYS F 4 138 ? 40.218 -17.890 -162.948 1.00 36.90 ? 153 LYS F CB 1 ATOM 8362 C CG . LYS F 4 138 ? 39.715 -19.233 -162.419 1.00 43.22 ? 153 LYS F CG 1 ATOM 8363 C CD . LYS F 4 138 ? 40.183 -19.510 -161.005 1.00 46.15 ? 153 LYS F CD 1 ATOM 8364 C CE . LYS F 4 138 ? 39.953 -20.947 -160.602 1.00 49.02 ? 153 LYS F CE 1 ATOM 8365 N NZ . LYS F 4 138 ? 41.005 -21.847 -161.144 1.00 56.25 1 153 LYS F NZ 1 ATOM 8366 N N . ALA F 4 139 ? 39.339 -15.223 -164.669 1.00 33.42 ? 154 ALA F N 1 ATOM 8367 C CA . ALA F 4 139 ? 39.607 -13.870 -165.136 1.00 32.08 ? 154 ALA F CA 1 ATOM 8368 C C . ALA F 4 139 ? 39.429 -12.860 -164.014 1.00 34.79 ? 154 ALA F C 1 ATOM 8369 O O . ALA F 4 139 ? 38.347 -12.751 -163.425 1.00 34.13 ? 154 ALA F O 1 ATOM 8370 C CB . ALA F 4 139 ? 38.702 -13.541 -166.313 1.00 33.60 ? 154 ALA F CB 1 ATOM 8371 N N . THR F 4 140 ? 40.514 -12.130 -163.706 1.00 30.50 ? 155 THR F N 1 ATOM 8372 C CA . THR F 4 140 ? 40.516 -11.150 -162.626 1.00 28.89 ? 155 THR F CA 1 ATOM 8373 C C . THR F 4 140 ? 40.433 -9.717 -163.159 1.00 30.91 ? 155 THR F C 1 ATOM 8374 O O . THR F 4 140 ? 41.356 -9.230 -163.814 1.00 30.18 ? 155 THR F O 1 ATOM 8375 C CB . THR F 4 140 ? 41.751 -11.335 -161.720 1.00 35.05 ? 155 THR F CB 1 ATOM 8376 O OG1 . THR F 4 140 ? 41.806 -12.689 -161.271 1.00 33.34 ? 155 THR F OG1 1 ATOM 8377 C CG2 . THR F 4 140 ? 41.754 -10.383 -160.524 1.00 30.84 ? 155 THR F CG2 1 ATOM 8378 N N . LEU F 4 141 ? 39.332 -9.046 -162.817 1.00 26.56 ? 156 LEU F N 1 ATOM 8379 C CA . LEU F 4 141 ? 39.078 -7.636 -163.089 1.00 25.74 ? 156 LEU F CA 1 ATOM 8380 C C . LEU F 4 141 ? 39.645 -6.861 -161.924 1.00 28.59 ? 156 LEU F C 1 ATOM 8381 O O . LEU F 4 141 ? 39.516 -7.331 -160.794 1.00 28.20 ? 156 LEU F O 1 ATOM 8382 C CB . LEU F 4 141 ? 37.558 -7.367 -163.210 1.00 26.25 ? 156 LEU F CB 1 ATOM 8383 C CG . LEU F 4 141 ? 36.804 -7.913 -164.425 1.00 32.05 ? 156 LEU F CG 1 ATOM 8384 C CD1 . LEU F 4 141 ? 36.140 -9.259 -164.111 1.00 32.76 ? 156 LEU F CD1 1 ATOM 8385 C CD2 . LEU F 4 141 ? 35.724 -6.933 -164.853 1.00 34.74 ? 156 LEU F CD2 1 ATOM 8386 N N . VAL F 4 142 ? 40.263 -5.696 -162.162 1.00 24.08 ? 157 VAL F N 1 ATOM 8387 C CA . VAL F 4 142 ? 40.804 -4.877 -161.072 1.00 22.60 ? 157 VAL F CA 1 ATOM 8388 C C . VAL F 4 142 ? 40.189 -3.484 -161.135 1.00 27.51 ? 157 VAL F C 1 ATOM 8389 O O . VAL F 4 142 ? 40.153 -2.853 -162.190 1.00 26.91 ? 157 VAL F O 1 ATOM 8390 C CB . VAL F 4 142 ? 42.362 -4.833 -161.037 1.00 25.25 ? 157 VAL F CB 1 ATOM 8391 C CG1 . VAL F 4 142 ? 42.898 -3.652 -160.209 1.00 23.89 ? 157 VAL F CG1 1 ATOM 8392 C CG2 . VAL F 4 142 ? 42.931 -6.153 -160.521 1.00 25.14 ? 157 VAL F CG2 1 ATOM 8393 N N . CYS F 4 143 ? 39.708 -3.012 -159.991 1.00 25.60 ? 158 CYS F N 1 ATOM 8394 C CA . CYS F 4 143 ? 39.163 -1.677 -159.869 1.00 26.06 ? 158 CYS F CA 1 ATOM 8395 C C . CYS F 4 143 ? 40.119 -0.817 -159.051 1.00 28.57 ? 158 CYS F C 1 ATOM 8396 O O . CYS F 4 143 ? 40.575 -1.235 -157.985 1.00 27.47 ? 158 CYS F O 1 ATOM 8397 C CB . CYS F 4 143 ? 37.783 -1.723 -159.239 1.00 27.67 ? 158 CYS F CB 1 ATOM 8398 S SG . CYS F 4 143 ? 36.994 -0.111 -159.075 1.00 31.87 ? 158 CYS F SG 1 ATOM 8399 N N . LEU F 4 144 ? 40.412 0.381 -159.552 1.00 24.17 ? 159 LEU F N 1 ATOM 8400 C CA . LEU F 4 144 ? 41.309 1.314 -158.899 1.00 22.73 ? 159 LEU F CA 1 ATOM 8401 C C . LEU F 4 144 ? 40.584 2.625 -158.628 1.00 26.32 ? 159 LEU F C 1 ATOM 8402 O O . LEU F 4 144 ? 40.148 3.301 -159.565 1.00 27.00 ? 159 LEU F O 1 ATOM 8403 C CB . LEU F 4 144 ? 42.543 1.524 -159.798 1.00 22.53 ? 159 LEU F CB 1 ATOM 8404 C CG . LEU F 4 144 ? 43.888 1.835 -159.140 1.00 26.71 ? 159 LEU F CG 1 ATOM 8405 C CD1 . LEU F 4 144 ? 44.288 0.773 -158.114 1.00 26.84 ? 159 LEU F CD1 1 ATOM 8406 C CD2 . LEU F 4 144 ? 44.976 1.934 -160.186 1.00 28.99 ? 159 LEU F CD2 1 ATOM 8407 N N . ALA F 4 145 ? 40.377 2.933 -157.333 1.00 21.54 ? 160 ALA F N 1 ATOM 8408 C CA . ALA F 4 145 ? 39.784 4.186 -156.859 1.00 20.81 ? 160 ALA F CA 1 ATOM 8409 C C . ALA F 4 145 ? 40.946 5.069 -156.404 1.00 22.67 ? 160 ALA F C 1 ATOM 8410 O O . ALA F 4 145 ? 41.744 4.632 -155.576 1.00 21.12 ? 160 ALA F O 1 ATOM 8411 C CB . ALA F 4 145 ? 38.788 3.924 -155.730 1.00 21.42 ? 160 ALA F CB 1 ATOM 8412 N N . THR F 4 146 ? 41.122 6.245 -157.028 1.00 19.38 ? 161 THR F N 1 ATOM 8413 C CA . THR F 4 146 ? 42.273 7.116 -156.747 1.00 18.75 ? 161 THR F CA 1 ATOM 8414 C C . THR F 4 146 ? 41.880 8.582 -156.517 1.00 22.82 ? 161 THR F C 1 ATOM 8415 O O . THR F 4 146 ? 40.784 9.001 -156.883 1.00 23.18 ? 161 THR F O 1 ATOM 8416 C CB . THR F 4 146 ? 43.296 7.061 -157.923 1.00 17.14 ? 161 THR F CB 1 ATOM 8417 O OG1 . THR F 4 146 ? 42.636 7.378 -159.151 1.00 17.96 ? 161 THR F OG1 1 ATOM 8418 C CG2 . THR F 4 146 ? 44.033 5.727 -158.036 1.00 10.07 ? 161 THR F CG2 1 ATOM 8419 N N . GLY F 4 147 ? 42.812 9.332 -155.938 1.00 18.40 ? 162 GLY F N 1 ATOM 8420 C CA . GLY F 4 147 ? 42.734 10.769 -155.720 1.00 18.26 ? 162 GLY F CA 1 ATOM 8421 C C . GLY F 4 147 ? 41.662 11.263 -154.785 1.00 22.40 ? 162 GLY F C 1 ATOM 8422 O O . GLY F 4 147 ? 41.250 12.418 -154.892 1.00 24.20 ? 162 GLY F O 1 ATOM 8423 N N . PHE F 4 148 ? 41.228 10.424 -153.850 1.00 16.55 ? 163 PHE F N 1 ATOM 8424 C CA . PHE F 4 148 ? 40.184 10.816 -152.915 1.00 15.79 ? 163 PHE F CA 1 ATOM 8425 C C . PHE F 4 148 ? 40.743 11.118 -151.531 1.00 19.42 ? 163 PHE F C 1 ATOM 8426 O O . PHE F 4 148 ? 41.693 10.484 -151.079 1.00 17.85 ? 163 PHE F O 1 ATOM 8427 C CB . PHE F 4 148 ? 39.080 9.740 -152.807 1.00 17.19 ? 163 PHE F CB 1 ATOM 8428 C CG . PHE F 4 148 ? 39.519 8.389 -152.294 1.00 17.91 ? 163 PHE F CG 1 ATOM 8429 C CD1 . PHE F 4 148 ? 39.979 7.412 -153.167 1.00 20.23 ? 163 PHE F CD1 1 ATOM 8430 C CD2 . PHE F 4 148 ? 39.440 8.080 -150.940 1.00 19.42 ? 163 PHE F CD2 1 ATOM 8431 C CE1 . PHE F 4 148 ? 40.375 6.156 -152.692 1.00 20.73 ? 163 PHE F CE1 1 ATOM 8432 C CE2 . PHE F 4 148 ? 39.853 6.827 -150.466 1.00 21.72 ? 163 PHE F CE2 1 ATOM 8433 C CZ . PHE F 4 148 ? 40.318 5.875 -151.349 1.00 19.40 ? 163 PHE F CZ 1 ATOM 8434 N N . PHE F 4 149 ? 40.110 12.066 -150.849 1.00 16.70 ? 164 PHE F N 1 ATOM 8435 C CA . PHE F 4 149 ? 40.443 12.438 -149.485 1.00 16.71 ? 164 PHE F CA 1 ATOM 8436 C C . PHE F 4 149 ? 39.192 13.022 -148.801 1.00 22.19 ? 164 PHE F C 1 ATOM 8437 O O . PHE F 4 149 ? 38.545 13.860 -149.413 1.00 21.88 ? 164 PHE F O 1 ATOM 8438 C CB . PHE F 4 149 ? 41.651 13.412 -149.418 1.00 18.43 ? 164 PHE F CB 1 ATOM 8439 C CG . PHE F 4 149 ? 42.009 13.752 -147.994 1.00 19.21 ? 164 PHE F CG 1 ATOM 8440 C CD1 . PHE F 4 149 ? 42.796 12.896 -147.238 1.00 21.56 ? 164 PHE F CD1 1 ATOM 8441 C CD2 . PHE F 4 149 ? 41.462 14.872 -147.370 1.00 21.09 ? 164 PHE F CD2 1 ATOM 8442 C CE1 . PHE F 4 149 ? 43.057 13.165 -145.891 1.00 22.07 ? 164 PHE F CE1 1 ATOM 8443 C CE2 . PHE F 4 149 ? 41.728 15.144 -146.028 1.00 23.32 ? 164 PHE F CE2 1 ATOM 8444 C CZ . PHE F 4 149 ? 42.512 14.281 -145.295 1.00 20.92 ? 164 PHE F CZ 1 ATOM 8445 N N . PRO F 4 150 ? 38.823 12.632 -147.553 1.00 20.14 ? 165 PRO F N 1 ATOM 8446 C CA . PRO F 4 150 ? 39.420 11.602 -146.684 1.00 20.35 ? 165 PRO F CA 1 ATOM 8447 C C . PRO F 4 150 ? 39.020 10.199 -147.160 1.00 26.10 ? 165 PRO F C 1 ATOM 8448 O O . PRO F 4 150 ? 38.350 10.070 -148.189 1.00 26.47 ? 165 PRO F O 1 ATOM 8449 C CB . PRO F 4 150 ? 38.863 11.947 -145.284 1.00 21.82 ? 165 PRO F CB 1 ATOM 8450 C CG . PRO F 4 150 ? 37.962 13.158 -145.456 1.00 26.14 ? 165 PRO F CG 1 ATOM 8451 C CD . PRO F 4 150 ? 37.629 13.209 -146.915 1.00 21.71 ? 165 PRO F CD 1 ATOM 8452 N N . ASP F 4 151 ? 39.426 9.154 -146.423 1.00 23.02 ? 166 ASP F N 1 ATOM 8453 C CA . ASP F 4 151 ? 39.216 7.750 -146.801 1.00 23.49 ? 166 ASP F CA 1 ATOM 8454 C C . ASP F 4 151 ? 37.817 7.160 -146.427 1.00 28.58 ? 166 ASP F C 1 ATOM 8455 O O . ASP F 4 151 ? 37.719 5.972 -146.100 1.00 28.54 ? 166 ASP F O 1 ATOM 8456 C CB . ASP F 4 151 ? 40.339 6.886 -146.198 1.00 25.37 ? 166 ASP F CB 1 ATOM 8457 C CG . ASP F 4 151 ? 40.390 6.856 -144.685 1.00 36.86 ? 166 ASP F CG 1 ATOM 8458 O OD1 . ASP F 4 151 ? 40.152 7.914 -144.059 1.00 37.71 ? 166 ASP F OD1 1 ATOM 8459 O OD2 . ASP F 4 151 ? 40.694 5.783 -144.125 1.00 44.24 -1 166 ASP F OD2 1 ATOM 8460 N N . HIS F 4 152 ? 36.739 7.949 -146.578 1.00 25.35 ? 167 HIS F N 1 ATOM 8461 C CA . HIS F 4 152 ? 35.369 7.475 -146.320 1.00 24.66 ? 167 HIS F CA 1 ATOM 8462 C C . HIS F 4 152 ? 34.781 6.932 -147.625 1.00 26.62 ? 167 HIS F C 1 ATOM 8463 O O . HIS F 4 152 ? 34.060 7.641 -148.335 1.00 26.00 ? 167 HIS F O 1 ATOM 8464 C CB . HIS F 4 152 ? 34.494 8.601 -145.737 1.00 25.66 ? 167 HIS F CB 1 ATOM 8465 C CG . HIS F 4 152 ? 34.897 9.055 -144.375 1.00 28.57 ? 167 HIS F CG 1 ATOM 8466 N ND1 . HIS F 4 152 ? 34.003 9.046 -143.323 1.00 30.06 ? 167 HIS F ND1 1 ATOM 8467 C CD2 . HIS F 4 152 ? 36.073 9.563 -143.943 1.00 29.75 ? 167 HIS F CD2 1 ATOM 8468 C CE1 . HIS F 4 152 ? 34.666 9.528 -142.289 1.00 29.00 ? 167 HIS F CE1 1 ATOM 8469 N NE2 . HIS F 4 152 ? 35.920 9.829 -142.615 1.00 29.14 ? 167 HIS F NE2 1 ATOM 8470 N N . VAL F 4 153 ? 35.154 5.692 -147.969 1.00 22.65 ? 168 VAL F N 1 ATOM 8471 C CA . VAL F 4 153 ? 34.742 5.037 -149.209 1.00 22.89 ? 168 VAL F CA 1 ATOM 8472 C C . VAL F 4 153 ? 34.232 3.611 -148.953 1.00 27.37 ? 168 VAL F C 1 ATOM 8473 O O . VAL F 4 153 ? 34.717 2.897 -148.069 1.00 25.80 ? 168 VAL F O 1 ATOM 8474 C CB . VAL F 4 153 ? 35.839 5.035 -150.329 1.00 26.43 ? 168 VAL F CB 1 ATOM 8475 C CG1 . VAL F 4 153 ? 36.142 6.442 -150.832 1.00 26.12 ? 168 VAL F CG1 1 ATOM 8476 C CG2 . VAL F 4 153 ? 37.119 4.321 -149.896 1.00 25.99 ? 168 VAL F CG2 1 ATOM 8477 N N . GLU F 4 154 ? 33.256 3.212 -149.775 1.00 25.93 ? 169 GLU F N 1 ATOM 8478 C CA . GLU F 4 154 ? 32.633 1.898 -149.819 1.00 26.13 ? 169 GLU F CA 1 ATOM 8479 C C . GLU F 4 154 ? 32.724 1.401 -151.247 1.00 29.50 ? 169 GLU F C 1 ATOM 8480 O O . GLU F 4 154 ? 32.133 1.996 -152.149 1.00 29.74 ? 169 GLU F O 1 ATOM 8481 C CB . GLU F 4 154 ? 31.179 1.966 -149.317 1.00 28.08 ? 169 GLU F CB 1 ATOM 8482 C CG . GLU F 4 154 ? 31.052 1.594 -147.850 1.00 40.76 ? 169 GLU F CG 1 ATOM 8483 C CD . GLU F 4 154 ? 29.959 2.279 -147.050 1.00 60.73 ? 169 GLU F CD 1 ATOM 8484 O OE1 . GLU F 4 154 ? 28.802 2.337 -147.529 1.00 50.91 ? 169 GLU F OE1 1 ATOM 8485 O OE2 . GLU F 4 154 ? 30.258 2.723 -145.917 1.00 55.33 -1 169 GLU F OE2 1 ATOM 8486 N N . LEU F 4 155 ? 33.523 0.360 -151.463 1.00 25.64 ? 170 LEU F N 1 ATOM 8487 C CA . LEU F 4 155 ? 33.730 -0.222 -152.785 1.00 26.07 ? 170 LEU F CA 1 ATOM 8488 C C . LEU F 4 155 ? 32.930 -1.531 -152.937 1.00 30.72 ? 170 LEU F C 1 ATOM 8489 O O . LEU F 4 155 ? 33.082 -2.457 -152.128 1.00 30.17 ? 170 LEU F O 1 ATOM 8490 C CB . LEU F 4 155 ? 35.236 -0.463 -153.033 1.00 25.83 ? 170 LEU F CB 1 ATOM 8491 C CG . LEU F 4 155 ? 35.689 -0.504 -154.492 1.00 31.23 ? 170 LEU F CG 1 ATOM 8492 C CD1 . LEU F 4 155 ? 37.159 -0.203 -154.618 1.00 30.54 ? 170 LEU F CD1 1 ATOM 8493 C CD2 . LEU F 4 155 ? 35.368 -1.849 -155.142 1.00 35.58 ? 170 LEU F CD2 1 ATOM 8494 N N . SER F 4 156 ? 32.117 -1.609 -154.012 1.00 27.15 ? 171 SER F N 1 ATOM 8495 C CA . SER F 4 156 ? 31.296 -2.771 -154.339 1.00 26.81 ? 171 SER F CA 1 ATOM 8496 C C . SER F 4 156 ? 31.281 -3.067 -155.850 1.00 30.77 ? 171 SER F C 1 ATOM 8497 O O . SER F 4 156 ? 31.350 -2.146 -156.670 1.00 29.23 ? 171 SER F O 1 ATOM 8498 C CB . SER F 4 156 ? 29.870 -2.576 -153.831 1.00 29.51 ? 171 SER F CB 1 ATOM 8499 O OG . SER F 4 156 ? 29.205 -1.495 -154.467 1.00 35.96 ? 171 SER F OG 1 ATOM 8500 N N . TRP F 4 157 ? 31.197 -4.367 -156.203 1.00 29.22 ? 172 TRP F N 1 ATOM 8501 C CA . TRP F 4 157 ? 31.117 -4.841 -157.585 1.00 30.39 ? 172 TRP F CA 1 ATOM 8502 C C . TRP F 4 157 ? 29.659 -5.163 -157.944 1.00 37.55 ? 172 TRP F C 1 ATOM 8503 O O . TRP F 4 157 ? 28.931 -5.760 -157.141 1.00 37.27 ? 172 TRP F O 1 ATOM 8504 C CB . TRP F 4 157 ? 32.013 -6.066 -157.810 1.00 29.27 ? 172 TRP F CB 1 ATOM 8505 C CG . TRP F 4 157 ? 33.486 -5.775 -157.818 1.00 29.22 ? 172 TRP F CG 1 ATOM 8506 C CD1 . TRP F 4 157 ? 34.335 -5.819 -156.753 1.00 31.22 ? 172 TRP F CD1 1 ATOM 8507 C CD2 . TRP F 4 157 ? 34.288 -5.440 -158.957 1.00 29.11 ? 172 TRP F CD2 1 ATOM 8508 N NE1 . TRP F 4 157 ? 35.620 -5.548 -157.157 1.00 30.25 ? 172 TRP F NE1 1 ATOM 8509 C CE2 . TRP F 4 157 ? 35.621 -5.299 -158.505 1.00 32.06 ? 172 TRP F CE2 1 ATOM 8510 C CE3 . TRP F 4 157 ? 34.014 -5.261 -160.326 1.00 31.12 ? 172 TRP F CE3 1 ATOM 8511 C CZ2 . TRP F 4 157 ? 36.679 -5.009 -159.371 1.00 31.18 ? 172 TRP F CZ2 1 ATOM 8512 C CZ3 . TRP F 4 157 ? 35.061 -4.944 -161.180 1.00 32.46 ? 172 TRP F CZ3 1 ATOM 8513 C CH2 . TRP F 4 157 ? 36.373 -4.808 -160.699 1.00 32.27 ? 172 TRP F CH2 1 ATOM 8514 N N . TRP F 4 158 ? 29.228 -4.728 -159.137 1.00 36.41 ? 173 TRP F N 1 ATOM 8515 C CA . TRP F 4 158 ? 27.867 -4.932 -159.625 1.00 38.00 ? 173 TRP F CA 1 ATOM 8516 C C . TRP F 4 158 ? 27.921 -5.619 -160.978 1.00 43.25 ? 173 TRP F C 1 ATOM 8517 O O . TRP F 4 158 ? 28.424 -5.042 -161.948 1.00 43.42 ? 173 TRP F O 1 ATOM 8518 C CB . TRP F 4 158 ? 27.105 -3.594 -159.715 1.00 36.85 ? 173 TRP F CB 1 ATOM 8519 C CG . TRP F 4 158 ? 26.860 -2.920 -158.394 1.00 37.07 ? 173 TRP F CG 1 ATOM 8520 C CD1 . TRP F 4 158 ? 27.776 -2.260 -157.629 1.00 38.74 ? 173 TRP F CD1 1 ATOM 8521 C CD2 . TRP F 4 158 ? 25.594 -2.749 -157.740 1.00 37.35 ? 173 TRP F CD2 1 ATOM 8522 N NE1 . TRP F 4 158 ? 27.176 -1.752 -156.502 1.00 37.73 ? 173 TRP F NE1 1 ATOM 8523 C CE2 . TRP F 4 158 ? 25.831 -2.019 -156.553 1.00 40.08 ? 173 TRP F CE2 1 ATOM 8524 C CE3 . TRP F 4 158 ? 24.280 -3.165 -158.029 1.00 39.88 ? 173 TRP F CE3 1 ATOM 8525 C CZ2 . TRP F 4 158 ? 24.805 -1.688 -155.658 1.00 39.30 ? 173 TRP F CZ2 1 ATOM 8526 C CZ3 . TRP F 4 158 ? 23.265 -2.845 -157.137 1.00 41.26 ? 173 TRP F CZ3 1 ATOM 8527 C CH2 . TRP F 4 158 ? 23.530 -2.114 -155.968 1.00 40.67 ? 173 TRP F CH2 1 ATOM 8528 N N . VAL F 4 159 ? 27.435 -6.866 -161.035 1.00 40.24 ? 174 VAL F N 1 ATOM 8529 C CA . VAL F 4 159 ? 27.441 -7.656 -162.264 1.00 40.95 ? 174 VAL F CA 1 ATOM 8530 C C . VAL F 4 159 ? 26.001 -7.839 -162.748 1.00 46.52 ? 174 VAL F C 1 ATOM 8531 O O . VAL F 4 159 ? 25.168 -8.398 -162.029 1.00 46.33 ? 174 VAL F O 1 ATOM 8532 C CB . VAL F 4 159 ? 28.186 -9.004 -162.100 1.00 44.79 ? 174 VAL F CB 1 ATOM 8533 C CG1 . VAL F 4 159 ? 28.234 -9.758 -163.420 1.00 45.92 ? 174 VAL F CG1 1 ATOM 8534 C CG2 . VAL F 4 159 ? 29.598 -8.795 -161.554 1.00 43.16 ? 174 VAL F CG2 1 ATOM 8535 N N . ASN F 4 160 ? 25.724 -7.346 -163.975 1.00 44.08 ? 175 ASN F N 1 ATOM 8536 C CA . ASN F 4 160 ? 24.431 -7.370 -164.668 1.00 45.33 ? 175 ASN F CA 1 ATOM 8537 C C . ASN F 4 160 ? 23.311 -6.696 -163.824 1.00 50.31 ? 175 ASN F C 1 ATOM 8538 O O . ASN F 4 160 ? 22.150 -7.116 -163.870 1.00 51.32 ? 175 ASN F O 1 ATOM 8539 C CB . ASN F 4 160 ? 24.054 -8.800 -165.080 1.00 45.61 ? 175 ASN F CB 1 ATOM 8540 C CG . ASN F 4 160 ? 24.998 -9.414 -166.087 1.00 60.89 ? 175 ASN F CG 1 ATOM 8541 O OD1 . ASN F 4 160 ? 25.402 -8.783 -167.072 1.00 54.34 ? 175 ASN F OD1 1 ATOM 8542 N ND2 . ASN F 4 160 ? 25.342 -10.678 -165.880 1.00 50.35 ? 175 ASN F ND2 1 ATOM 8543 N N . GLY F 4 161 ? 23.688 -5.643 -163.088 1.00 46.50 ? 176 GLY F N 1 ATOM 8544 C CA . GLY F 4 161 ? 22.790 -4.853 -162.249 1.00 46.50 ? 176 GLY F CA 1 ATOM 8545 C C . GLY F 4 161 ? 22.607 -5.319 -160.816 1.00 50.71 ? 176 GLY F C 1 ATOM 8546 O O . GLY F 4 161 ? 21.877 -4.676 -160.055 1.00 49.98 ? 176 GLY F O 1 ATOM 8547 N N . LYS F 4 162 ? 23.272 -6.425 -160.426 1.00 47.90 ? 177 LYS F N 1 ATOM 8548 C CA . LYS F 4 162 ? 23.177 -6.990 -159.072 1.00 47.58 ? 177 LYS F CA 1 ATOM 8549 C C . LYS F 4 162 ? 24.536 -6.957 -158.354 1.00 50.21 ? 177 LYS F C 1 ATOM 8550 O O . LYS F 4 162 ? 25.546 -7.349 -158.943 1.00 49.94 ? 177 LYS F O 1 ATOM 8551 C CB . LYS F 4 162 ? 22.653 -8.442 -159.128 1.00 51.70 ? 177 LYS F CB 1 ATOM 8552 C CG . LYS F 4 162 ? 21.283 -8.616 -159.783 1.00 69.25 ? 177 LYS F CG 1 ATOM 8553 C CD . LYS F 4 162 ? 20.848 -10.081 -159.772 1.00 81.86 ? 177 LYS F CD 1 ATOM 8554 C CE . LYS F 4 162 ? 19.486 -10.313 -160.388 1.00 94.73 ? 177 LYS F CE 1 ATOM 8555 N NZ . LYS F 4 162 ? 18.384 -9.754 -159.557 1.00 102.41 1 177 LYS F NZ 1 ATOM 8556 N N . GLU F 4 163 ? 24.554 -6.523 -157.074 1.00 45.78 ? 178 GLU F N 1 ATOM 8557 C CA . GLU F 4 163 ? 25.779 -6.474 -156.267 1.00 44.35 ? 178 GLU F CA 1 ATOM 8558 C C . GLU F 4 163 ? 26.257 -7.896 -155.915 1.00 49.16 ? 178 GLU F C 1 ATOM 8559 O O . GLU F 4 163 ? 25.453 -8.736 -155.507 1.00 48.73 ? 178 GLU F O 1 ATOM 8560 C CB . GLU F 4 163 ? 25.581 -5.634 -154.998 1.00 44.45 ? 178 GLU F CB 1 ATOM 8561 C CG . GLU F 4 163 ? 26.889 -5.085 -154.453 1.00 52.04 ? 178 GLU F CG 1 ATOM 8562 C CD . GLU F 4 163 ? 26.806 -4.372 -153.118 1.00 65.96 ? 178 GLU F CD 1 ATOM 8563 O OE1 . GLU F 4 163 ? 26.083 -3.354 -153.027 1.00 63.04 ? 178 GLU F OE1 1 ATOM 8564 O OE2 . GLU F 4 163 ? 27.524 -4.790 -152.180 1.00 53.42 -1 178 GLU F OE2 1 ATOM 8565 N N . VAL F 4 164 ? 27.566 -8.160 -156.103 1.00 46.61 ? 179 VAL F N 1 ATOM 8566 C CA . VAL F 4 164 ? 28.186 -9.469 -155.865 1.00 47.25 ? 179 VAL F CA 1 ATOM 8567 C C . VAL F 4 164 ? 29.212 -9.382 -154.709 1.00 50.28 ? 179 VAL F C 1 ATOM 8568 O O . VAL F 4 164 ? 29.788 -8.321 -154.474 1.00 48.43 ? 179 VAL F O 1 ATOM 8569 C CB . VAL F 4 164 ? 28.809 -10.030 -157.185 1.00 52.08 ? 179 VAL F CB 1 ATOM 8570 C CG1 . VAL F 4 164 ? 30.096 -9.305 -157.586 1.00 50.78 ? 179 VAL F CG1 1 ATOM 8571 C CG2 . VAL F 4 164 ? 29.028 -11.539 -157.119 1.00 52.94 ? 179 VAL F CG2 1 ATOM 8572 N N . HIS F 4 165 ? 29.413 -10.502 -153.988 1.00 48.10 ? 180 HIS F N 1 ATOM 8573 C CA . HIS F 4 165 ? 30.371 -10.625 -152.884 1.00 47.66 ? 180 HIS F CA 1 ATOM 8574 C C . HIS F 4 165 ? 31.324 -11.803 -153.127 1.00 50.97 ? 180 HIS F C 1 ATOM 8575 O O . HIS F 4 165 ? 32.429 -11.831 -152.578 1.00 50.08 ? 180 HIS F O 1 ATOM 8576 C CB . HIS F 4 165 ? 29.647 -10.781 -151.534 1.00 49.05 ? 180 HIS F CB 1 ATOM 8577 C CG . HIS F 4 165 ? 28.774 -9.616 -151.178 1.00 52.61 ? 180 HIS F CG 1 ATOM 8578 N ND1 . HIS F 4 165 ? 27.389 -9.703 -151.239 1.00 55.45 ? 180 HIS F ND1 1 ATOM 8579 C CD2 . HIS F 4 165 ? 29.117 -8.363 -150.796 1.00 53.62 ? 180 HIS F CD2 1 ATOM 8580 C CE1 . HIS F 4 165 ? 26.939 -8.510 -150.884 1.00 54.28 ? 180 HIS F CE1 1 ATOM 8581 N NE2 . HIS F 4 165 ? 27.942 -7.669 -150.611 1.00 53.50 ? 180 HIS F NE2 1 ATOM 8582 N N . SER F 4 166 ? 30.892 -12.763 -153.962 1.00 48.04 ? 181 SER F N 1 ATOM 8583 C CA . SER F 4 166 ? 31.647 -13.956 -154.337 1.00 48.08 ? 181 SER F CA 1 ATOM 8584 C C . SER F 4 166 ? 32.740 -13.589 -155.340 1.00 50.42 ? 181 SER F C 1 ATOM 8585 O O . SER F 4 166 ? 32.458 -12.943 -156.354 1.00 50.20 ? 181 SER F O 1 ATOM 8586 C CB . SER F 4 166 ? 30.711 -15.011 -154.920 1.00 53.12 ? 181 SER F CB 1 ATOM 8587 O OG . SER F 4 166 ? 31.425 -16.150 -155.371 1.00 63.22 ? 181 SER F OG 1 ATOM 8588 N N . GLY F 4 167 ? 33.970 -14.002 -155.036 1.00 45.72 ? 182 GLY F N 1 ATOM 8589 C CA . GLY F 4 167 ? 35.153 -13.731 -155.849 1.00 44.62 ? 182 GLY F CA 1 ATOM 8590 C C . GLY F 4 167 ? 35.655 -12.300 -155.747 1.00 45.70 ? 182 GLY F C 1 ATOM 8591 O O . GLY F 4 167 ? 36.505 -11.889 -156.542 1.00 44.33 ? 182 GLY F O 1 ATOM 8592 N N . VAL F 4 168 ? 35.142 -11.534 -154.758 1.00 40.97 ? 183 VAL F N 1 ATOM 8593 C CA . VAL F 4 168 ? 35.499 -10.132 -154.525 1.00 39.55 ? 183 VAL F CA 1 ATOM 8594 C C . VAL F 4 168 ? 36.425 -10.002 -153.313 1.00 43.76 ? 183 VAL F C 1 ATOM 8595 O O . VAL F 4 168 ? 36.181 -10.624 -152.276 1.00 43.12 ? 183 VAL F O 1 ATOM 8596 C CB . VAL F 4 168 ? 34.233 -9.232 -154.359 1.00 42.59 ? 183 VAL F CB 1 ATOM 8597 C CG1 . VAL F 4 168 ? 34.587 -7.832 -153.845 1.00 40.99 ? 183 VAL F CG1 1 ATOM 8598 C CG2 . VAL F 4 168 ? 33.446 -9.139 -155.658 1.00 43.10 ? 183 VAL F CG2 1 ATOM 8599 N N . CYS F 4 169 ? 37.464 -9.154 -153.440 1.00 40.87 ? 184 CYS F N 1 ATOM 8600 C CA . CYS F 4 169 ? 38.366 -8.827 -152.343 1.00 40.76 ? 184 CYS F CA 1 ATOM 8601 C C . CYS F 4 169 ? 38.927 -7.410 -152.558 1.00 41.04 ? 184 CYS F C 1 ATOM 8602 O O . CYS F 4 169 ? 39.520 -7.102 -153.594 1.00 40.39 ? 184 CYS F O 1 ATOM 8603 C CB . CYS F 4 169 ? 39.442 -9.898 -152.131 1.00 42.54 ? 184 CYS F CB 1 ATOM 8604 S SG . CYS F 4 169 ? 41.136 -9.420 -152.552 1.00 46.70 ? 184 CYS F SG 1 ATOM 8605 N N . THR F 4 170 ? 38.596 -6.528 -151.611 1.00 35.72 ? 185 THR F N 1 ATOM 8606 C CA . THR F 4 170 ? 38.968 -5.114 -151.593 1.00 34.81 ? 185 THR F CA 1 ATOM 8607 C C . THR F 4 170 ? 40.055 -4.905 -150.542 1.00 39.18 ? 185 THR F C 1 ATOM 8608 O O . THR F 4 170 ? 40.051 -5.611 -149.531 1.00 39.19 ? 185 THR F O 1 ATOM 8609 C CB . THR F 4 170 ? 37.717 -4.251 -151.322 1.00 37.19 ? 185 THR F CB 1 ATOM 8610 O OG1 . THR F 4 170 ? 36.649 -4.685 -152.160 1.00 37.77 ? 185 THR F OG1 1 ATOM 8611 C CG2 . THR F 4 170 ? 37.952 -2.776 -151.565 1.00 33.72 ? 185 THR F CG2 1 ATOM 8612 N N . ASP F 4 171 ? 40.993 -3.957 -150.786 1.00 35.51 ? 186 ASP F N 1 ATOM 8613 C CA . ASP F 4 171 ? 42.075 -3.629 -149.847 1.00 35.13 ? 186 ASP F CA 1 ATOM 8614 C C . ASP F 4 171 ? 41.503 -3.230 -148.487 1.00 37.86 ? 186 ASP F C 1 ATOM 8615 O O . ASP F 4 171 ? 40.537 -2.459 -148.441 1.00 36.70 ? 186 ASP F O 1 ATOM 8616 C CB . ASP F 4 171 ? 42.968 -2.495 -150.379 1.00 37.01 ? 186 ASP F CB 1 ATOM 8617 C CG . ASP F 4 171 ? 43.785 -2.823 -151.611 1.00 51.15 ? 186 ASP F CG 1 ATOM 8618 O OD1 . ASP F 4 171 ? 44.280 -3.969 -151.711 1.00 52.48 ? 186 ASP F OD1 1 ATOM 8619 O OD2 . ASP F 4 171 ? 43.998 -1.912 -152.437 1.00 58.40 -1 186 ASP F OD2 1 ATOM 8620 N N . PRO F 4 172 ? 42.066 -3.759 -147.376 1.00 34.43 ? 187 PRO F N 1 ATOM 8621 C CA . PRO F 4 172 ? 41.532 -3.411 -146.040 1.00 33.85 ? 187 PRO F CA 1 ATOM 8622 C C . PRO F 4 172 ? 41.693 -1.925 -145.709 1.00 37.33 ? 187 PRO F C 1 ATOM 8623 O O . PRO F 4 172 ? 40.804 -1.332 -145.097 1.00 36.64 ? 187 PRO F O 1 ATOM 8624 C CB . PRO F 4 172 ? 42.359 -4.286 -145.089 1.00 35.69 ? 187 PRO F CB 1 ATOM 8625 C CG . PRO F 4 172 ? 43.632 -4.575 -145.848 1.00 40.42 ? 187 PRO F CG 1 ATOM 8626 C CD . PRO F 4 172 ? 43.214 -4.686 -147.280 1.00 36.16 ? 187 PRO F CD 1 ATOM 8627 N N . GLN F 4 173 ? 42.812 -1.322 -146.155 1.00 33.64 ? 188 GLN F N 1 ATOM 8628 C CA . GLN F 4 173 ? 43.122 0.090 -145.928 1.00 33.22 ? 188 GLN F CA 1 ATOM 8629 C C . GLN F 4 173 ? 43.588 0.774 -147.219 1.00 35.79 ? 188 GLN F C 1 ATOM 8630 O O . GLN F 4 173 ? 44.269 0.140 -148.032 1.00 36.50 ? 188 GLN F O 1 ATOM 8631 C CB . GLN F 4 173 ? 44.189 0.262 -144.815 1.00 35.12 ? 188 GLN F CB 1 ATOM 8632 C CG . GLN F 4 173 ? 45.519 -0.476 -145.035 1.00 56.67 ? 188 GLN F CG 1 ATOM 8633 C CD . GLN F 4 173 ? 46.518 -0.157 -143.951 1.00 82.98 ? 188 GLN F CD 1 ATOM 8634 O OE1 . GLN F 4 173 ? 46.429 -0.651 -142.820 1.00 81.05 ? 188 GLN F OE1 1 ATOM 8635 N NE2 . GLN F 4 173 ? 47.494 0.678 -144.272 1.00 76.50 ? 188 GLN F NE2 1 ATOM 8636 N N . PRO F 4 174 ? 43.276 2.078 -147.410 1.00 29.96 ? 189 PRO F N 1 ATOM 8637 C CA . PRO F 4 174 ? 43.752 2.768 -148.617 1.00 28.43 ? 189 PRO F CA 1 ATOM 8638 C C . PRO F 4 174 ? 45.207 3.171 -148.465 1.00 28.14 ? 189 PRO F C 1 ATOM 8639 O O . PRO F 4 174 ? 45.682 3.341 -147.339 1.00 26.89 ? 189 PRO F O 1 ATOM 8640 C CB . PRO F 4 174 ? 42.837 3.996 -148.716 1.00 30.20 ? 189 PRO F CB 1 ATOM 8641 C CG . PRO F 4 174 ? 41.840 3.869 -147.575 1.00 35.06 ? 189 PRO F CG 1 ATOM 8642 C CD . PRO F 4 174 ? 42.482 2.992 -146.564 1.00 30.97 ? 189 PRO F CD 1 ATOM 8643 N N . LEU F 4 175 ? 45.925 3.293 -149.583 1.00 22.53 ? 190 LEU F N 1 ATOM 8644 C CA . LEU F 4 175 ? 47.313 3.719 -149.504 1.00 21.49 ? 190 LEU F CA 1 ATOM 8645 C C . LEU F 4 175 ? 47.421 5.206 -149.869 1.00 23.97 ? 190 LEU F C 1 ATOM 8646 O O . LEU F 4 175 ? 46.673 5.691 -150.718 1.00 24.02 ? 190 LEU F O 1 ATOM 8647 C CB . LEU F 4 175 ? 48.281 2.841 -150.335 1.00 21.84 ? 190 LEU F CB 1 ATOM 8648 C CG . LEU F 4 175 ? 48.040 2.606 -151.828 1.00 26.68 ? 190 LEU F CG 1 ATOM 8649 C CD1 . LEU F 4 175 ? 48.578 3.758 -152.665 1.00 27.07 ? 190 LEU F CD1 1 ATOM 8650 C CD2 . LEU F 4 175 ? 48.750 1.343 -152.282 1.00 28.53 ? 190 LEU F CD2 1 ATOM 8651 N N . LYS F 4 176 ? 48.323 5.929 -149.184 1.00 19.42 ? 191 LYS F N 1 ATOM 8652 C CA . LYS F 4 176 ? 48.597 7.346 -149.427 1.00 18.21 ? 191 LYS F CA 1 ATOM 8653 C C . LYS F 4 176 ? 49.312 7.485 -150.757 1.00 21.17 ? 191 LYS F C 1 ATOM 8654 O O . LYS F 4 176 ? 50.283 6.770 -151.015 1.00 19.74 ? 191 LYS F O 1 ATOM 8655 C CB . LYS F 4 176 ? 49.442 7.962 -148.288 1.00 20.55 ? 191 LYS F CB 1 ATOM 8656 C CG . LYS F 4 176 ? 48.697 8.091 -146.975 1.00 27.67 ? 191 LYS F CG 1 ATOM 8657 C CD . LYS F 4 176 ? 49.546 8.743 -145.906 1.00 35.21 ? 191 LYS F CD 1 ATOM 8658 C CE . LYS F 4 176 ? 48.850 8.693 -144.570 1.00 49.14 ? 191 LYS F CE 1 ATOM 8659 N NZ . LYS F 4 176 ? 49.621 9.397 -143.516 1.00 60.30 1 191 LYS F NZ 1 ATOM 8660 N N . GLU F 4 177 ? 48.798 8.353 -151.629 1.00 18.78 ? 192 GLU F N 1 ATOM 8661 C CA . GLU F 4 177 ? 49.412 8.608 -152.931 1.00 18.46 ? 192 GLU F CA 1 ATOM 8662 C C . GLU F 4 177 ? 50.705 9.385 -152.731 1.00 22.57 ? 192 GLU F C 1 ATOM 8663 O O . GLU F 4 177 ? 51.670 9.147 -153.444 1.00 23.26 ? 192 GLU F O 1 ATOM 8664 C CB . GLU F 4 177 ? 48.451 9.357 -153.856 1.00 19.78 ? 192 GLU F CB 1 ATOM 8665 C CG . GLU F 4 177 ? 47.444 8.429 -154.510 1.00 30.35 ? 192 GLU F CG 1 ATOM 8666 C CD . GLU F 4 177 ? 46.268 9.085 -155.209 1.00 52.50 ? 192 GLU F CD 1 ATOM 8667 O OE1 . GLU F 4 177 ? 45.427 8.334 -155.752 1.00 45.83 ? 192 GLU F OE1 1 ATOM 8668 O OE2 . GLU F 4 177 ? 46.178 10.335 -155.220 1.00 45.16 -1 192 GLU F OE2 1 ATOM 8669 N N . GLN F 4 178 ? 50.729 10.293 -151.738 1.00 18.43 ? 193 GLN F N 1 ATOM 8670 C CA . GLN F 4 178 ? 51.905 11.085 -151.382 1.00 18.67 ? 193 GLN F CA 1 ATOM 8671 C C . GLN F 4 178 ? 52.187 10.901 -149.873 1.00 23.87 ? 193 GLN F C 1 ATOM 8672 O O . GLN F 4 178 ? 51.686 11.658 -149.039 1.00 23.41 ? 193 GLN F O 1 ATOM 8673 C CB . GLN F 4 178 ? 51.752 12.564 -151.790 1.00 19.56 ? 193 GLN F CB 1 ATOM 8674 C CG . GLN F 4 178 ? 51.563 12.783 -153.294 1.00 23.45 ? 193 GLN F CG 1 ATOM 8675 C CD . GLN F 4 178 ? 52.766 12.434 -154.164 1.00 31.88 ? 193 GLN F CD 1 ATOM 8676 O OE1 . GLN F 4 178 ? 53.880 12.195 -153.683 1.00 28.04 ? 193 GLN F OE1 1 ATOM 8677 N NE2 . GLN F 4 178 ? 52.587 12.465 -155.488 1.00 19.62 ? 193 GLN F NE2 1 ATOM 8678 N N . PRO F 4 179 ? 52.980 9.865 -149.508 1.00 21.12 ? 194 PRO F N 1 ATOM 8679 C CA . PRO F 4 179 ? 53.251 9.599 -148.079 1.00 21.16 ? 194 PRO F CA 1 ATOM 8680 C C . PRO F 4 179 ? 53.882 10.763 -147.295 1.00 25.06 ? 194 PRO F C 1 ATOM 8681 O O . PRO F 4 179 ? 53.689 10.824 -146.078 1.00 25.02 ? 194 PRO F O 1 ATOM 8682 C CB . PRO F 4 179 ? 54.214 8.408 -148.130 1.00 23.08 ? 194 PRO F CB 1 ATOM 8683 C CG . PRO F 4 179 ? 53.897 7.732 -149.408 1.00 27.18 ? 194 PRO F CG 1 ATOM 8684 C CD . PRO F 4 179 ? 53.621 8.847 -150.366 1.00 22.73 ? 194 PRO F CD 1 ATOM 8685 N N . ALA F 4 180 ? 54.624 11.671 -147.968 1.00 20.92 ? 195 ALA F N 1 ATOM 8686 C CA . ALA F 4 180 ? 55.273 12.832 -147.326 1.00 20.93 ? 195 ALA F CA 1 ATOM 8687 C C . ALA F 4 180 ? 54.260 13.905 -146.859 1.00 25.32 ? 195 ALA F C 1 ATOM 8688 O O . ALA F 4 180 ? 54.602 14.701 -145.985 1.00 26.08 ? 195 ALA F O 1 ATOM 8689 C CB . ALA F 4 180 ? 56.287 13.465 -148.274 1.00 21.82 ? 195 ALA F CB 1 ATOM 8690 N N . LEU F 4 181 ? 53.032 13.929 -147.442 1.00 21.08 ? 196 LEU F N 1 ATOM 8691 C CA . LEU F 4 181 ? 51.966 14.886 -147.104 1.00 20.72 ? 196 LEU F CA 1 ATOM 8692 C C . LEU F 4 181 ? 50.951 14.272 -146.139 1.00 25.56 ? 196 LEU F C 1 ATOM 8693 O O . LEU F 4 181 ? 50.432 13.191 -146.405 1.00 24.25 ? 196 LEU F O 1 ATOM 8694 C CB . LEU F 4 181 ? 51.253 15.387 -148.372 1.00 20.24 ? 196 LEU F CB 1 ATOM 8695 C CG . LEU F 4 181 ? 52.124 16.118 -149.406 1.00 25.15 ? 196 LEU F CG 1 ATOM 8696 C CD1 . LEU F 4 181 ? 51.407 16.213 -150.726 1.00 25.30 ? 196 LEU F CD1 1 ATOM 8697 C CD2 . LEU F 4 181 ? 52.557 17.515 -148.908 1.00 26.72 ? 196 LEU F CD2 1 ATOM 8698 N N . ASN F 4 182 ? 50.678 14.962 -145.012 1.00 23.99 ? 197 ASN F N 1 ATOM 8699 C CA . ASN F 4 182 ? 49.756 14.511 -143.961 1.00 24.55 ? 197 ASN F CA 1 ATOM 8700 C C . ASN F 4 182 ? 48.316 14.230 -144.478 1.00 29.92 ? 197 ASN F C 1 ATOM 8701 O O . ASN F 4 182 ? 47.753 13.173 -144.164 1.00 29.87 ? 197 ASN F O 1 ATOM 8702 C CB . ASN F 4 182 ? 49.716 15.528 -142.813 1.00 26.13 ? 197 ASN F CB 1 ATOM 8703 C CG . ASN F 4 182 ? 48.705 15.238 -141.723 1.00 39.32 ? 197 ASN F CG 1 ATOM 8704 O OD1 . ASN F 4 182 ? 48.422 14.085 -141.373 1.00 36.28 ? 197 ASN F OD1 1 ATOM 8705 N ND2 . ASN F 4 182 ? 48.156 16.293 -141.140 1.00 26.65 ? 197 ASN F ND2 1 ATOM 8706 N N . ASP F 4 183 ? 47.722 15.156 -145.235 1.00 26.45 ? 198 ASP F N 1 ATOM 8707 C CA . ASP F 4 183 ? 46.370 14.925 -145.735 1.00 25.58 ? 198 ASP F CA 1 ATOM 8708 C C . ASP F 4 183 ? 46.448 14.547 -147.221 1.00 27.11 ? 198 ASP F C 1 ATOM 8709 O O . ASP F 4 183 ? 45.779 15.134 -148.073 1.00 26.77 ? 198 ASP F O 1 ATOM 8710 C CB . ASP F 4 183 ? 45.469 16.142 -145.460 1.00 28.49 ? 198 ASP F CB 1 ATOM 8711 C CG . ASP F 4 183 ? 44.995 16.268 -144.005 1.00 46.16 ? 198 ASP F CG 1 ATOM 8712 O OD1 . ASP F 4 183 ? 44.969 15.229 -143.284 1.00 47.28 ? 198 ASP F OD1 1 ATOM 8713 O OD2 . ASP F 4 183 ? 44.567 17.381 -143.613 1.00 55.57 -1 198 ASP F OD2 1 ATOM 8714 N N . SER F 4 184 ? 47.297 13.551 -147.515 1.00 22.10 ? 199 SER F N 1 ATOM 8715 C CA . SER F 4 184 ? 47.501 12.998 -148.857 1.00 21.01 ? 199 SER F CA 1 ATOM 8716 C C . SER F 4 184 ? 46.226 12.338 -149.377 1.00 23.14 ? 199 SER F C 1 ATOM 8717 O O . SER F 4 184 ? 45.471 11.756 -148.593 1.00 21.31 ? 199 SER F O 1 ATOM 8718 C CB . SER F 4 184 ? 48.617 11.958 -148.831 1.00 23.61 ? 199 SER F CB 1 ATOM 8719 O OG . SER F 4 184 ? 48.691 11.197 -150.027 1.00 32.59 ? 199 SER F OG 1 ATOM 8720 N N . ARG F 4 185 ? 46.025 12.379 -150.705 1.00 18.91 ? 200 ARG F N 1 ATOM 8721 C CA . ARG F 4 185 ? 44.900 11.703 -151.329 1.00 17.48 ? 200 ARG F CA 1 ATOM 8722 C C . ARG F 4 185 ? 45.197 10.203 -151.300 1.00 21.45 ? 200 ARG F C 1 ATOM 8723 O O . ARG F 4 185 ? 46.352 9.800 -151.129 1.00 20.95 ? 200 ARG F O 1 ATOM 8724 C CB . ARG F 4 185 ? 44.618 12.252 -152.732 1.00 15.83 ? 200 ARG F CB 1 ATOM 8725 C CG . ARG F 4 185 ? 43.868 13.578 -152.643 1.00 20.40 ? 200 ARG F CG 1 ATOM 8726 C CD . ARG F 4 185 ? 44.181 14.537 -153.766 1.00 23.33 ? 200 ARG F CD 1 ATOM 8727 N NE . ARG F 4 185 ? 43.243 14.375 -154.873 1.00 26.59 ? 200 ARG F NE 1 ATOM 8728 C CZ . ARG F 4 185 ? 43.041 15.277 -155.824 1.00 40.74 ? 200 ARG F CZ 1 ATOM 8729 N NH1 . ARG F 4 185 ? 43.706 16.424 -155.813 1.00 25.23 1 200 ARG F NH1 1 ATOM 8730 N NH2 . ARG F 4 185 ? 42.158 15.047 -156.786 1.00 31.98 ? 200 ARG F NH2 1 ATOM 8731 N N . TYR F 4 186 ? 44.151 9.387 -151.331 1.00 17.99 ? 201 TYR F N 1 ATOM 8732 C CA . TYR F 4 186 ? 44.282 7.944 -151.216 1.00 17.33 ? 201 TYR F CA 1 ATOM 8733 C C . TYR F 4 186 ? 43.955 7.209 -152.484 1.00 21.02 ? 201 TYR F C 1 ATOM 8734 O O . TYR F 4 186 ? 43.250 7.712 -153.361 1.00 21.36 ? 201 TYR F O 1 ATOM 8735 C CB . TYR F 4 186 ? 43.362 7.407 -150.115 1.00 18.26 ? 201 TYR F CB 1 ATOM 8736 C CG . TYR F 4 186 ? 43.665 7.923 -148.730 1.00 19.58 ? 201 TYR F CG 1 ATOM 8737 C CD1 . TYR F 4 186 ? 44.689 7.370 -147.969 1.00 21.94 ? 201 TYR F CD1 1 ATOM 8738 C CD2 . TYR F 4 186 ? 42.891 8.927 -148.154 1.00 19.74 ? 201 TYR F CD2 1 ATOM 8739 C CE1 . TYR F 4 186 ? 44.964 7.832 -146.682 1.00 23.67 ? 201 TYR F CE1 1 ATOM 8740 C CE2 . TYR F 4 186 ? 43.151 9.393 -146.867 1.00 20.41 ? 201 TYR F CE2 1 ATOM 8741 C CZ . TYR F 4 186 ? 44.182 8.834 -146.128 1.00 29.57 ? 201 TYR F CZ 1 ATOM 8742 O OH . TYR F 4 186 ? 44.454 9.287 -144.860 1.00 31.27 ? 201 TYR F OH 1 ATOM 8743 N N . ALA F 4 187 ? 44.438 5.975 -152.538 1.00 17.15 ? 202 ALA F N 1 ATOM 8744 C CA . ALA F 4 187 ? 44.166 5.029 -153.597 1.00 17.50 ? 202 ALA F CA 1 ATOM 8745 C C . ALA F 4 187 ? 43.773 3.700 -152.968 1.00 22.56 ? 202 ALA F C 1 ATOM 8746 O O . ALA F 4 187 ? 44.367 3.284 -151.969 1.00 22.98 ? 202 ALA F O 1 ATOM 8747 C CB . ALA F 4 187 ? 45.370 4.880 -154.495 1.00 18.25 ? 202 ALA F CB 1 ATOM 8748 N N . LEU F 4 188 ? 42.721 3.081 -153.502 1.00 18.85 ? 203 LEU F N 1 ATOM 8749 C CA . LEU F 4 188 ? 42.187 1.804 -153.026 1.00 18.40 ? 203 LEU F CA 1 ATOM 8750 C C . LEU F 4 188 ? 41.883 0.896 -154.211 1.00 21.69 ? 203 LEU F C 1 ATOM 8751 O O . LEU F 4 188 ? 41.303 1.348 -155.194 1.00 21.53 ? 203 LEU F O 1 ATOM 8752 C CB . LEU F 4 188 ? 40.922 2.039 -152.180 1.00 18.34 ? 203 LEU F CB 1 ATOM 8753 C CG . LEU F 4 188 ? 40.370 0.839 -151.419 1.00 23.33 ? 203 LEU F CG 1 ATOM 8754 C CD1 . LEU F 4 188 ? 40.960 0.752 -150.025 1.00 23.45 ? 203 LEU F CD1 1 ATOM 8755 C CD2 . LEU F 4 188 ? 38.865 0.912 -151.322 1.00 25.31 ? 203 LEU F CD2 1 ATOM 8756 N N . SER F 4 189 ? 42.280 -0.378 -154.119 1.00 18.67 ? 204 SER F N 1 ATOM 8757 C CA . SER F 4 189 ? 42.011 -1.348 -155.179 1.00 19.72 ? 204 SER F CA 1 ATOM 8758 C C . SER F 4 189 ? 41.104 -2.485 -154.691 1.00 24.31 ? 204 SER F C 1 ATOM 8759 O O . SER F 4 189 ? 41.002 -2.752 -153.490 1.00 23.02 ? 204 SER F O 1 ATOM 8760 C CB . SER F 4 189 ? 43.307 -1.905 -155.768 1.00 22.96 ? 204 SER F CB 1 ATOM 8761 O OG . SER F 4 189 ? 43.858 -2.975 -155.021 1.00 30.94 ? 204 SER F OG 1 ATOM 8762 N N . SER F 4 190 ? 40.428 -3.124 -155.643 1.00 21.98 ? 205 SER F N 1 ATOM 8763 C CA . SER F 4 190 ? 39.567 -4.286 -155.440 1.00 22.06 ? 205 SER F CA 1 ATOM 8764 C C . SER F 4 190 ? 39.717 -5.243 -156.608 1.00 27.10 ? 205 SER F C 1 ATOM 8765 O O . SER F 4 190 ? 40.061 -4.824 -157.719 1.00 26.88 ? 205 SER F O 1 ATOM 8766 C CB . SER F 4 190 ? 38.108 -3.876 -155.279 1.00 24.47 ? 205 SER F CB 1 ATOM 8767 O OG . SER F 4 190 ? 37.299 -5.000 -154.973 1.00 31.46 ? 205 SER F OG 1 ATOM 8768 N N . ARG F 4 191 ? 39.457 -6.532 -156.358 1.00 24.95 ? 206 ARG F N 1 ATOM 8769 C CA . ARG F 4 191 ? 39.548 -7.575 -157.387 1.00 25.33 ? 206 ARG F CA 1 ATOM 8770 C C . ARG F 4 191 ? 38.226 -8.298 -157.509 1.00 29.72 ? 206 ARG F C 1 ATOM 8771 O O . ARG F 4 191 ? 37.554 -8.528 -156.501 1.00 29.85 ? 206 ARG F O 1 ATOM 8772 C CB . ARG F 4 191 ? 40.671 -8.606 -157.086 1.00 24.63 ? 206 ARG F CB 1 ATOM 8773 C CG . ARG F 4 191 ? 42.101 -8.062 -156.932 1.00 32.51 ? 206 ARG F CG 1 ATOM 8774 C CD . ARG F 4 191 ? 42.325 -7.545 -155.525 1.00 39.53 ? 206 ARG F CD 1 ATOM 8775 N NE . ARG F 4 191 ? 43.726 -7.391 -155.144 1.00 41.36 ? 206 ARG F NE 1 ATOM 8776 C CZ . ARG F 4 191 ? 44.151 -6.481 -154.276 1.00 51.54 ? 206 ARG F CZ 1 ATOM 8777 N NH1 . ARG F 4 191 ? 45.433 -6.417 -153.948 1.00 40.91 1 206 ARG F NH1 1 ATOM 8778 N NH2 . ARG F 4 191 ? 43.298 -5.616 -153.740 1.00 39.09 ? 206 ARG F NH2 1 ATOM 8779 N N . LEU F 4 192 ? 37.839 -8.630 -158.738 1.00 26.24 ? 207 LEU F N 1 ATOM 8780 C CA . LEU F 4 192 ? 36.678 -9.460 -159.009 1.00 26.64 ? 207 LEU F CA 1 ATOM 8781 C C . LEU F 4 192 ? 37.163 -10.571 -159.913 1.00 31.26 ? 207 LEU F C 1 ATOM 8782 O O . LEU F 4 192 ? 37.591 -10.298 -161.041 1.00 31.70 ? 207 LEU F O 1 ATOM 8783 C CB . LEU F 4 192 ? 35.462 -8.703 -159.600 1.00 26.80 ? 207 LEU F CB 1 ATOM 8784 C CG . LEU F 4 192 ? 34.342 -9.593 -160.206 1.00 32.72 ? 207 LEU F CG 1 ATOM 8785 C CD1 . LEU F 4 192 ? 33.512 -10.292 -159.134 1.00 32.63 ? 207 LEU F CD1 1 ATOM 8786 C CD2 . LEU F 4 192 ? 33.438 -8.807 -161.108 1.00 36.59 ? 207 LEU F CD2 1 ATOM 8787 N N . ARG F 4 193 ? 37.170 -11.808 -159.396 1.00 27.56 ? 208 ARG F N 1 ATOM 8788 C CA . ARG F 4 193 ? 37.596 -12.973 -160.168 1.00 28.07 ? 208 ARG F CA 1 ATOM 8789 C C . ARG F 4 193 ? 36.376 -13.791 -160.598 1.00 33.27 ? 208 ARG F C 1 ATOM 8790 O O . ARG F 4 193 ? 35.556 -14.183 -159.760 1.00 33.35 ? 208 ARG F O 1 ATOM 8791 C CB . ARG F 4 193 ? 38.601 -13.839 -159.394 1.00 24.73 ? 208 ARG F CB 1 ATOM 8792 C CG . ARG F 4 193 ? 39.402 -14.764 -160.295 1.00 27.38 ? 208 ARG F CG 1 ATOM 8793 C CD . ARG F 4 193 ? 40.621 -15.294 -159.577 1.00 31.80 ? 208 ARG F CD 1 ATOM 8794 N NE . ARG F 4 193 ? 41.722 -15.556 -160.507 1.00 38.31 ? 208 ARG F NE 1 ATOM 8795 C CZ . ARG F 4 193 ? 42.780 -16.308 -160.225 1.00 43.60 ? 208 ARG F CZ 1 ATOM 8796 N NH1 . ARG F 4 193 ? 43.732 -16.490 -161.128 1.00 25.62 1 208 ARG F NH1 1 ATOM 8797 N NH2 . ARG F 4 193 ? 42.886 -16.896 -159.045 1.00 25.22 ? 208 ARG F NH2 1 ATOM 8798 N N . VAL F 4 194 ? 36.257 -14.021 -161.915 1.00 30.02 ? 209 VAL F N 1 ATOM 8799 C CA . VAL F 4 194 ? 35.175 -14.804 -162.514 1.00 31.50 ? 209 VAL F CA 1 ATOM 8800 C C . VAL F 4 194 ? 35.797 -15.961 -163.317 1.00 37.61 ? 209 VAL F C 1 ATOM 8801 O O . VAL F 4 194 ? 37.024 -16.108 -163.340 1.00 36.99 ? 209 VAL F O 1 ATOM 8802 C CB . VAL F 4 194 ? 34.204 -13.945 -163.392 1.00 35.51 ? 209 VAL F CB 1 ATOM 8803 C CG1 . VAL F 4 194 ? 33.376 -12.987 -162.544 1.00 34.51 ? 209 VAL F CG1 1 ATOM 8804 C CG2 . VAL F 4 194 ? 34.931 -13.209 -164.523 1.00 34.79 ? 209 VAL F CG2 1 ATOM 8805 N N . SER F 4 195 ? 34.957 -16.770 -163.972 1.00 35.66 ? 210 SER F N 1 ATOM 8806 C CA . SER F 4 195 ? 35.430 -17.819 -164.864 1.00 36.51 ? 210 SER F CA 1 ATOM 8807 C C . SER F 4 195 ? 35.799 -17.158 -166.182 1.00 40.00 ? 210 SER F C 1 ATOM 8808 O O . SER F 4 195 ? 35.237 -16.105 -166.499 1.00 38.41 ? 210 SER F O 1 ATOM 8809 C CB . SER F 4 195 ? 34.349 -18.876 -165.071 1.00 41.96 ? 210 SER F CB 1 ATOM 8810 O OG . SER F 4 195 ? 33.345 -18.421 -165.965 1.00 51.71 ? 210 SER F OG 1 ATOM 8811 N N . ALA F 4 196 ? 36.713 -17.758 -166.956 1.00 37.89 ? 211 ALA F N 1 ATOM 8812 C CA . ALA F 4 196 ? 37.085 -17.207 -168.259 1.00 38.11 ? 211 ALA F CA 1 ATOM 8813 C C . ALA F 4 196 ? 35.852 -17.090 -169.176 1.00 44.17 ? 211 ALA F C 1 ATOM 8814 O O . ALA F 4 196 ? 35.679 -16.049 -169.803 1.00 43.72 ? 211 ALA F O 1 ATOM 8815 C CB . ALA F 4 196 ? 38.153 -18.065 -168.917 1.00 39.43 ? 211 ALA F CB 1 ATOM 8816 N N . THR F 4 197 ? 34.962 -18.116 -169.181 1.00 42.54 ? 212 THR F N 1 ATOM 8817 C CA . THR F 4 197 ? 33.741 -18.152 -170.006 1.00 44.09 ? 212 THR F CA 1 ATOM 8818 C C . THR F 4 197 ? 32.745 -17.034 -169.618 1.00 47.17 ? 212 THR F C 1 ATOM 8819 O O . THR F 4 197 ? 32.038 -16.527 -170.496 1.00 47.79 ? 212 THR F O 1 ATOM 8820 C CB . THR F 4 197 ? 33.060 -19.538 -169.967 1.00 53.30 ? 212 THR F CB 1 ATOM 8821 O OG1 . THR F 4 197 ? 32.748 -19.891 -168.619 1.00 53.74 ? 212 THR F OG1 1 ATOM 8822 C CG2 . THR F 4 197 ? 33.907 -20.630 -170.615 1.00 51.93 ? 212 THR F CG2 1 ATOM 8823 N N . PHE F 4 198 ? 32.710 -16.636 -168.327 1.00 41.65 ? 213 PHE F N 1 ATOM 8824 C CA . PHE F 4 198 ? 31.830 -15.564 -167.860 1.00 40.25 ? 213 PHE F CA 1 ATOM 8825 C C . PHE F 4 198 ? 32.308 -14.202 -168.377 1.00 42.50 ? 213 PHE F C 1 ATOM 8826 O O . PHE F 4 198 ? 31.498 -13.425 -168.881 1.00 42.62 ? 213 PHE F O 1 ATOM 8827 C CB . PHE F 4 198 ? 31.706 -15.549 -166.327 1.00 40.78 ? 213 PHE F CB 1 ATOM 8828 C CG . PHE F 4 198 ? 30.549 -14.704 -165.854 1.00 41.77 ? 213 PHE F CG 1 ATOM 8829 C CD1 . PHE F 4 198 ? 29.240 -15.160 -165.971 1.00 45.92 ? 213 PHE F CD1 1 ATOM 8830 C CD2 . PHE F 4 198 ? 30.762 -13.439 -165.326 1.00 42.06 ? 213 PHE F CD2 1 ATOM 8831 C CE1 . PHE F 4 198 ? 28.166 -14.367 -165.562 1.00 46.38 ? 213 PHE F CE1 1 ATOM 8832 C CE2 . PHE F 4 198 ? 29.688 -12.647 -164.920 1.00 44.73 ? 213 PHE F CE2 1 ATOM 8833 C CZ . PHE F 4 198 ? 28.397 -13.120 -165.031 1.00 44.01 ? 213 PHE F CZ 1 ATOM 8834 N N . TRP F 4 199 ? 33.615 -13.925 -168.274 1.00 37.29 ? 214 TRP F N 1 ATOM 8835 C CA . TRP F 4 199 ? 34.190 -12.677 -168.762 1.00 36.28 ? 214 TRP F CA 1 ATOM 8836 C C . TRP F 4 199 ? 34.095 -12.592 -170.299 1.00 41.21 ? 214 TRP F C 1 ATOM 8837 O O . TRP F 4 199 ? 33.766 -11.535 -170.828 1.00 40.27 ? 214 TRP F O 1 ATOM 8838 C CB . TRP F 4 199 ? 35.657 -12.522 -168.295 1.00 34.09 ? 214 TRP F CB 1 ATOM 8839 C CG . TRP F 4 199 ? 36.441 -11.516 -169.091 1.00 34.64 ? 214 TRP F CG 1 ATOM 8840 C CD1 . TRP F 4 199 ? 37.389 -11.784 -170.038 1.00 37.90 ? 214 TRP F CD1 1 ATOM 8841 C CD2 . TRP F 4 199 ? 36.232 -10.094 -169.124 1.00 33.67 ? 214 TRP F CD2 1 ATOM 8842 N NE1 . TRP F 4 199 ? 37.822 -10.613 -170.621 1.00 36.92 ? 214 TRP F NE1 1 ATOM 8843 C CE2 . TRP F 4 199 ? 37.130 -9.560 -170.075 1.00 37.61 ? 214 TRP F CE2 1 ATOM 8844 C CE3 . TRP F 4 199 ? 35.379 -9.216 -168.433 1.00 34.31 ? 214 TRP F CE3 1 ATOM 8845 C CZ2 . TRP F 4 199 ? 37.219 -8.186 -170.330 1.00 36.03 ? 214 TRP F CZ2 1 ATOM 8846 C CZ3 . TRP F 4 199 ? 35.459 -7.859 -168.698 1.00 34.95 ? 214 TRP F CZ3 1 ATOM 8847 C CH2 . TRP F 4 199 ? 36.359 -7.359 -169.644 1.00 35.37 ? 214 TRP F CH2 1 ATOM 8848 N N . GLN F 4 200 ? 34.363 -13.709 -171.004 1.00 39.31 ? 215 GLN F N 1 ATOM 8849 C CA . GLN F 4 200 ? 34.373 -13.775 -172.465 1.00 40.18 ? 215 GLN F CA 1 ATOM 8850 C C . GLN F 4 200 ? 32.975 -13.612 -173.095 1.00 46.52 ? 215 GLN F C 1 ATOM 8851 O O . GLN F 4 200 ? 32.886 -13.408 -174.306 1.00 47.35 ? 215 GLN F O 1 ATOM 8852 C CB . GLN F 4 200 ? 35.037 -15.065 -172.931 1.00 42.35 ? 215 GLN F CB 1 ATOM 8853 C CG . GLN F 4 200 ? 36.555 -15.016 -172.770 1.00 51.48 ? 215 GLN F CG 1 ATOM 8854 C CD . GLN F 4 200 ? 37.216 -16.364 -172.920 1.00 67.27 ? 215 GLN F CD 1 ATOM 8855 O OE1 . GLN F 4 200 ? 36.590 -17.427 -172.770 1.00 63.86 ? 215 GLN F OE1 1 ATOM 8856 N NE2 . GLN F 4 200 ? 38.513 -16.344 -173.190 1.00 55.84 ? 215 GLN F NE2 1 ATOM 8857 N N . ASN F 4 201 ? 31.903 -13.661 -172.278 1.00 43.78 ? 216 ASN F N 1 ATOM 8858 C CA . ASN F 4 201 ? 30.521 -13.417 -172.694 1.00 45.04 ? 216 ASN F CA 1 ATOM 8859 C C . ASN F 4 201 ? 30.315 -11.885 -172.807 1.00 48.86 ? 216 ASN F C 1 ATOM 8860 O O . ASN F 4 201 ? 30.394 -11.179 -171.792 1.00 46.48 ? 216 ASN F O 1 ATOM 8861 C CB . ASN F 4 201 ? 29.534 -14.061 -171.708 1.00 45.22 ? 216 ASN F CB 1 ATOM 8862 C CG . ASN F 4 201 ? 28.062 -13.877 -172.024 1.00 69.77 ? 216 ASN F CG 1 ATOM 8863 O OD1 . ASN F 4 201 ? 27.661 -13.397 -173.093 1.00 66.84 ? 216 ASN F OD1 1 ATOM 8864 N ND2 . ASN F 4 201 ? 27.214 -14.283 -171.090 1.00 61.06 ? 216 ASN F ND2 1 ATOM 8865 N N . PRO F 4 202 ? 30.076 -11.350 -174.030 1.00 47.23 ? 217 PRO F N 1 ATOM 8866 C CA . PRO F 4 202 ? 29.948 -9.889 -174.188 1.00 46.36 ? 217 PRO F CA 1 ATOM 8867 C C . PRO F 4 202 ? 28.607 -9.320 -173.719 1.00 50.15 ? 217 PRO F C 1 ATOM 8868 O O . PRO F 4 202 ? 28.434 -8.101 -173.705 1.00 48.59 ? 217 PRO F O 1 ATOM 8869 C CB . PRO F 4 202 ? 30.141 -9.677 -175.701 1.00 48.99 ? 217 PRO F CB 1 ATOM 8870 C CG . PRO F 4 202 ? 30.586 -11.016 -176.258 1.00 54.36 ? 217 PRO F CG 1 ATOM 8871 C CD . PRO F 4 202 ? 29.979 -12.023 -175.340 1.00 50.53 ? 217 PRO F CD 1 ATOM 8872 N N . ARG F 4 203 ? 27.665 -10.196 -173.339 1.00 48.08 ? 218 ARG F N 1 ATOM 8873 C CA . ARG F 4 203 ? 26.348 -9.823 -172.830 1.00 48.23 ? 218 ARG F CA 1 ATOM 8874 C C . ARG F 4 203 ? 26.436 -9.505 -171.331 1.00 50.99 ? 218 ARG F C 1 ATOM 8875 O O . ARG F 4 203 ? 25.491 -8.948 -170.762 1.00 50.68 ? 218 ARG F O 1 ATOM 8876 C CB . ARG F 4 203 ? 25.338 -10.949 -173.092 1.00 49.83 ? 218 ARG F CB 1 ATOM 8877 C CG . ARG F 4 203 ? 24.978 -11.135 -174.560 1.00 60.50 ? 218 ARG F CG 1 ATOM 8878 C CD . ARG F 4 203 ? 23.992 -12.269 -174.738 1.00 72.19 ? 218 ARG F CD 1 ATOM 8879 N NE . ARG F 4 203 ? 23.350 -12.239 -176.055 1.00 81.77 ? 218 ARG F NE 1 ATOM 8880 C CZ . ARG F 4 203 ? 22.227 -11.581 -176.331 1.00 97.41 ? 218 ARG F CZ 1 ATOM 8881 N NH1 . ARG F 4 203 ? 21.718 -11.609 -177.554 1.00 86.10 1 218 ARG F NH1 1 ATOM 8882 N NH2 . ARG F 4 203 ? 21.607 -10.884 -175.385 1.00 86.10 ? 218 ARG F NH2 1 ATOM 8883 N N . ASN F 4 204 ? 27.584 -9.849 -170.700 1.00 46.30 ? 219 ASN F N 1 ATOM 8884 C CA . ASN F 4 204 ? 27.840 -9.636 -169.279 1.00 44.55 ? 219 ASN F CA 1 ATOM 8885 C C . ASN F 4 204 ? 28.422 -8.260 -169.022 1.00 46.64 ? 219 ASN F C 1 ATOM 8886 O O . ASN F 4 204 ? 29.375 -7.847 -169.686 1.00 45.78 ? 219 ASN F O 1 ATOM 8887 C CB . ASN F 4 204 ? 28.751 -10.720 -168.705 1.00 43.64 ? 219 ASN F CB 1 ATOM 8888 C CG . ASN F 4 204 ? 28.049 -12.031 -168.453 1.00 60.85 ? 219 ASN F CG 1 ATOM 8889 O OD1 . ASN F 4 204 ? 26.859 -12.089 -168.130 1.00 55.41 ? 219 ASN F OD1 1 ATOM 8890 N ND2 . ASN F 4 204 ? 28.775 -13.120 -168.581 1.00 51.99 ? 219 ASN F ND2 1 ATOM 8891 N N . HIS F 4 205 ? 27.823 -7.550 -168.057 1.00 42.37 ? 220 HIS F N 1 ATOM 8892 C CA . HIS F 4 205 ? 28.226 -6.202 -167.670 1.00 40.93 ? 220 HIS F CA 1 ATOM 8893 C C . HIS F 4 205 ? 28.755 -6.196 -166.241 1.00 42.82 ? 220 HIS F C 1 ATOM 8894 O O . HIS F 4 205 ? 28.111 -6.716 -165.324 1.00 42.68 ? 220 HIS F O 1 ATOM 8895 C CB . HIS F 4 205 ? 27.056 -5.217 -167.831 1.00 42.16 ? 220 HIS F CB 1 ATOM 8896 C CG . HIS F 4 205 ? 27.356 -3.824 -167.372 1.00 44.26 ? 220 HIS F CG 1 ATOM 8897 N ND1 . HIS F 4 205 ? 26.675 -3.258 -166.315 1.00 45.52 ? 220 HIS F ND1 1 ATOM 8898 C CD2 . HIS F 4 205 ? 28.250 -2.928 -167.847 1.00 45.44 ? 220 HIS F CD2 1 ATOM 8899 C CE1 . HIS F 4 205 ? 27.175 -2.043 -166.172 1.00 44.05 ? 220 HIS F CE1 1 ATOM 8900 N NE2 . HIS F 4 205 ? 28.126 -1.798 -167.071 1.00 44.33 ? 220 HIS F NE2 1 ATOM 8901 N N . PHE F 4 206 ? 29.942 -5.604 -166.074 1.00 36.97 ? 221 PHE F N 1 ATOM 8902 C CA . PHE F 4 206 ? 30.657 -5.479 -164.805 1.00 34.75 ? 221 PHE F CA 1 ATOM 8903 C C . PHE F 4 206 ? 30.855 -4.011 -164.487 1.00 36.86 ? 221 PHE F C 1 ATOM 8904 O O . PHE F 4 206 ? 31.395 -3.280 -165.314 1.00 36.92 ? 221 PHE F O 1 ATOM 8905 C CB . PHE F 4 206 ? 32.017 -6.193 -164.879 1.00 35.76 ? 221 PHE F CB 1 ATOM 8906 C CG . PHE F 4 206 ? 31.986 -7.616 -165.379 1.00 37.89 ? 221 PHE F CG 1 ATOM 8907 C CD1 . PHE F 4 206 ? 31.987 -7.894 -166.742 1.00 41.74 ? 221 PHE F CD1 1 ATOM 8908 C CD2 . PHE F 4 206 ? 32.003 -8.681 -164.489 1.00 39.70 ? 221 PHE F CD2 1 ATOM 8909 C CE1 . PHE F 4 206 ? 31.965 -9.214 -167.205 1.00 43.64 ? 221 PHE F CE1 1 ATOM 8910 C CE2 . PHE F 4 206 ? 31.999 -10.001 -164.953 1.00 43.60 ? 221 PHE F CE2 1 ATOM 8911 C CZ . PHE F 4 206 ? 31.974 -10.258 -166.308 1.00 42.59 ? 221 PHE F CZ 1 ATOM 8912 N N . ARG F 4 207 ? 30.399 -3.569 -163.316 1.00 31.64 ? 222 ARG F N 1 ATOM 8913 C CA . ARG F 4 207 ? 30.547 -2.182 -162.893 1.00 30.67 ? 222 ARG F CA 1 ATOM 8914 C C . ARG F 4 207 ? 31.126 -2.129 -161.492 1.00 34.37 ? 222 ARG F C 1 ATOM 8915 O O . ARG F 4 207 ? 30.617 -2.788 -160.583 1.00 34.51 ? 222 ARG F O 1 ATOM 8916 C CB . ARG F 4 207 ? 29.205 -1.422 -162.970 1.00 30.63 ? 222 ARG F CB 1 ATOM 8917 C CG . ARG F 4 207 ? 29.261 0.033 -162.451 1.00 34.92 ? 222 ARG F CG 1 ATOM 8918 C CD . ARG F 4 207 ? 27.924 0.746 -162.537 1.00 38.75 ? 222 ARG F CD 1 ATOM 8919 N NE . ARG F 4 207 ? 26.924 0.171 -161.631 1.00 43.74 ? 222 ARG F NE 1 ATOM 8920 C CZ . ARG F 4 207 ? 26.686 0.594 -160.393 1.00 51.15 ? 222 ARG F CZ 1 ATOM 8921 N NH1 . ARG F 4 207 ? 25.759 0.005 -159.651 1.00 34.49 1 222 ARG F NH1 1 ATOM 8922 N NH2 . ARG F 4 207 ? 27.373 1.611 -159.886 1.00 37.06 ? 222 ARG F NH2 1 ATOM 8923 N N . CYS F 4 208 ? 32.198 -1.352 -161.327 1.00 30.17 ? 223 CYS F N 1 ATOM 8924 C CA . CYS F 4 208 ? 32.809 -1.127 -160.030 1.00 29.37 ? 223 CYS F CA 1 ATOM 8925 C C . CYS F 4 208 ? 32.278 0.188 -159.486 1.00 32.17 ? 223 CYS F C 1 ATOM 8926 O O . CYS F 4 208 ? 32.436 1.227 -160.128 1.00 32.42 ? 223 CYS F O 1 ATOM 8927 C CB . CYS F 4 208 ? 34.329 -1.137 -160.110 1.00 29.46 ? 223 CYS F CB 1 ATOM 8928 S SG . CYS F 4 208 ? 35.132 -0.717 -158.546 1.00 32.76 ? 223 CYS F SG 1 ATOM 8929 N N . GLN F 4 209 ? 31.634 0.140 -158.314 1.00 27.14 ? 224 GLN F N 1 ATOM 8930 C CA . GLN F 4 209 ? 31.014 1.299 -157.674 1.00 26.11 ? 224 GLN F CA 1 ATOM 8931 C C . GLN F 4 209 ? 31.792 1.746 -156.429 1.00 27.99 ? 224 GLN F C 1 ATOM 8932 O O . GLN F 4 209 ? 32.172 0.915 -155.605 1.00 27.18 ? 224 GLN F O 1 ATOM 8933 C CB . GLN F 4 209 ? 29.560 0.952 -157.301 1.00 27.98 ? 224 GLN F CB 1 ATOM 8934 C CG . GLN F 4 209 ? 28.754 2.103 -156.707 1.00 39.59 ? 224 GLN F CG 1 ATOM 8935 C CD . GLN F 4 209 ? 27.346 1.693 -156.367 1.00 49.04 ? 224 GLN F CD 1 ATOM 8936 O OE1 . GLN F 4 209 ? 26.474 1.592 -157.235 1.00 44.35 ? 224 GLN F OE1 1 ATOM 8937 N NE2 . GLN F 4 209 ? 27.090 1.462 -155.091 1.00 34.01 ? 224 GLN F NE2 1 ATOM 8938 N N . VAL F 4 210 ? 32.005 3.068 -156.288 1.00 23.28 ? 225 VAL F N 1 ATOM 8939 C CA . VAL F 4 210 ? 32.678 3.624 -155.120 1.00 21.80 ? 225 VAL F CA 1 ATOM 8940 C C . VAL F 4 210 ? 31.781 4.703 -154.508 1.00 24.03 ? 225 VAL F C 1 ATOM 8941 O O . VAL F 4 210 ? 31.701 5.810 -155.032 1.00 23.69 ? 225 VAL F O 1 ATOM 8942 C CB . VAL F 4 210 ? 34.135 4.138 -155.376 1.00 24.96 ? 225 VAL F CB 1 ATOM 8943 C CG1 . VAL F 4 210 ? 34.733 4.771 -154.117 1.00 23.73 ? 225 VAL F CG1 1 ATOM 8944 C CG2 . VAL F 4 210 ? 35.047 3.019 -155.882 1.00 24.79 ? 225 VAL F CG2 1 ATOM 8945 N N . GLN F 4 211 ? 31.103 4.365 -153.396 1.00 19.71 ? 226 GLN F N 1 ATOM 8946 C CA . GLN F 4 211 ? 30.306 5.312 -152.631 1.00 19.18 ? 226 GLN F CA 1 ATOM 8947 C C . GLN F 4 211 ? 31.283 6.114 -151.800 1.00 21.70 ? 226 GLN F C 1 ATOM 8948 O O . GLN F 4 211 ? 32.051 5.549 -151.015 1.00 20.65 ? 226 GLN F O 1 ATOM 8949 C CB . GLN F 4 211 ? 29.246 4.607 -151.758 1.00 20.72 ? 226 GLN F CB 1 ATOM 8950 C CG . GLN F 4 211 ? 28.543 5.517 -150.722 1.00 23.31 ? 226 GLN F CG 1 ATOM 8951 C CD . GLN F 4 211 ? 27.550 6.494 -151.313 1.00 30.28 ? 226 GLN F CD 1 ATOM 8952 O OE1 . GLN F 4 211 ? 27.779 7.709 -151.373 1.00 25.12 ? 226 GLN F OE1 1 ATOM 8953 N NE2 . GLN F 4 211 ? 26.405 5.994 -151.726 1.00 15.51 ? 226 GLN F NE2 1 ATOM 8954 N N . PHE F 4 212 ? 31.312 7.420 -152.040 1.00 17.72 ? 227 PHE F N 1 ATOM 8955 C CA . PHE F 4 212 ? 32.195 8.331 -151.336 1.00 16.45 ? 227 PHE F CA 1 ATOM 8956 C C . PHE F 4 212 ? 31.376 9.132 -150.378 1.00 19.72 ? 227 PHE F C 1 ATOM 8957 O O . PHE F 4 212 ? 30.313 9.614 -150.754 1.00 19.89 ? 227 PHE F O 1 ATOM 8958 C CB . PHE F 4 212 ? 32.945 9.246 -152.329 1.00 18.01 ? 227 PHE F CB 1 ATOM 8959 C CG . PHE F 4 212 ? 33.750 10.361 -151.700 1.00 18.47 ? 227 PHE F CG 1 ATOM 8960 C CD1 . PHE F 4 212 ? 35.012 10.115 -151.161 1.00 20.58 ? 227 PHE F CD1 1 ATOM 8961 C CD2 . PHE F 4 212 ? 33.259 11.663 -151.669 1.00 19.59 ? 227 PHE F CD2 1 ATOM 8962 C CE1 . PHE F 4 212 ? 35.758 11.146 -150.583 1.00 20.51 ? 227 PHE F CE1 1 ATOM 8963 C CE2 . PHE F 4 212 ? 34.002 12.691 -151.086 1.00 21.75 ? 227 PHE F CE2 1 ATOM 8964 C CZ . PHE F 4 212 ? 35.244 12.425 -150.544 1.00 19.45 ? 227 PHE F CZ 1 ATOM 8965 N N . TYR F 4 213 ? 31.868 9.278 -149.148 1.00 16.56 ? 228 TYR F N 1 ATOM 8966 C CA . TYR F 4 213 ? 31.224 10.088 -148.120 1.00 17.21 ? 228 TYR F CA 1 ATOM 8967 C C . TYR F 4 213 ? 32.040 11.362 -147.945 1.00 22.53 ? 228 TYR F C 1 ATOM 8968 O O . TYR F 4 213 ? 33.224 11.316 -147.594 1.00 21.59 ? 228 TYR F O 1 ATOM 8969 C CB . TYR F 4 213 ? 31.049 9.310 -146.805 1.00 17.67 ? 228 TYR F CB 1 ATOM 8970 C CG . TYR F 4 213 ? 30.091 8.146 -146.930 1.00 19.06 ? 228 TYR F CG 1 ATOM 8971 C CD1 . TYR F 4 213 ? 28.724 8.320 -146.745 1.00 20.76 ? 228 TYR F CD1 1 ATOM 8972 C CD2 . TYR F 4 213 ? 30.549 6.873 -147.259 1.00 20.35 ? 228 TYR F CD2 1 ATOM 8973 C CE1 . TYR F 4 213 ? 27.833 7.256 -146.875 1.00 20.93 ? 228 TYR F CE1 1 ATOM 8974 C CE2 . TYR F 4 213 ? 29.669 5.799 -147.384 1.00 21.55 ? 228 TYR F CE2 1 ATOM 8975 C CZ . TYR F 4 213 ? 28.310 5.998 -147.197 1.00 28.67 ? 228 TYR F CZ 1 ATOM 8976 O OH . TYR F 4 213 ? 27.432 4.951 -147.338 1.00 31.20 ? 228 TYR F OH 1 ATOM 8977 N N . GLY F 4 214 ? 31.419 12.471 -148.309 1.00 21.44 ? 229 GLY F N 1 ATOM 8978 C CA . GLY F 4 214 ? 32.035 13.787 -148.253 1.00 22.27 ? 229 GLY F CA 1 ATOM 8979 C C . GLY F 4 214 ? 31.264 14.752 -147.385 1.00 29.52 ? 229 GLY F C 1 ATOM 8980 O O . GLY F 4 214 ? 30.801 14.395 -146.299 1.00 28.43 ? 229 GLY F O 1 ATOM 8981 N N . LEU F 4 215 ? 31.160 15.976 -147.842 1.00 30.08 ? 230 LEU F N 1 ATOM 8982 C CA . LEU F 4 215 ? 30.460 17.047 -147.169 1.00 31.69 ? 230 LEU F CA 1 ATOM 8983 C C . LEU F 4 215 ? 28.953 17.048 -147.387 1.00 41.09 ? 230 LEU F C 1 ATOM 8984 O O . LEU F 4 215 ? 28.450 16.424 -148.293 1.00 40.49 ? 230 LEU F O 1 ATOM 8985 C CB . LEU F 4 215 ? 31.061 18.393 -147.566 1.00 31.92 ? 230 LEU F CB 1 ATOM 8986 C CG . LEU F 4 215 ? 32.513 18.497 -148.026 1.00 36.10 ? 230 LEU F CG 1 ATOM 8987 C CD1 . LEU F 4 215 ? 32.821 19.925 -148.394 1.00 36.82 ? 230 LEU F CD1 1 ATOM 8988 C CD2 . LEU F 4 215 ? 33.494 18.001 -146.983 1.00 36.41 ? 230 LEU F CD2 1 ATOM 8989 N N . SER F 4 216 ? 28.241 17.744 -146.520 1.00 42.17 ? 231 SER F N 1 ATOM 8990 C CA . SER F 4 216 ? 26.788 17.892 -146.604 1.00 44.24 ? 231 SER F CA 1 ATOM 8991 C C . SER F 4 216 ? 26.313 19.219 -147.179 1.00 53.00 ? 231 SER F C 1 ATOM 8992 O O . SER F 4 216 ? 27.100 20.033 -147.590 1.00 52.90 ? 231 SER F O 1 ATOM 8993 C CB . SER F 4 216 ? 26.144 17.650 -145.259 1.00 47.59 ? 231 SER F CB 1 ATOM 8994 O OG . SER F 4 216 ? 26.979 18.081 -144.214 1.00 55.78 ? 231 SER F OG 1 ATOM 8995 N N . GLU F 4 217 ? 24.998 19.394 -147.230 1.00 52.72 ? 232 GLU F N 1 ATOM 8996 C CA . GLU F 4 217 ? 24.339 20.652 -147.585 1.00 54.18 ? 232 GLU F CA 1 ATOM 8997 C C . GLU F 4 217 ? 24.665 21.697 -146.542 1.00 59.52 ? 232 GLU F C 1 ATOM 8998 O O . GLU F 4 217 ? 24.561 22.881 -146.778 1.00 59.79 ? 232 GLU F O 1 ATOM 8999 C CB . GLU F 4 217 ? 22.829 20.471 -147.658 1.00 56.04 ? 232 GLU F CB 1 ATOM 9000 N N . ASN F 4 218 ? 25.034 21.216 -145.370 1.00 56.44 ? 233 ASN F N 1 ATOM 9001 C CA . ASN F 4 218 ? 25.380 22.051 -144.249 1.00 56.83 ? 233 ASN F CA 1 ATOM 9002 C C . ASN F 4 218 ? 26.532 22.928 -144.548 1.00 62.16 ? 233 ASN F C 1 ATOM 9003 O O . ASN F 4 218 ? 26.513 24.116 -144.263 1.00 62.46 ? 233 ASN F O 1 ATOM 9004 C CB . ASN F 4 218 ? 25.871 21.099 -143.151 1.00 57.37 ? 233 ASN F CB 1 ATOM 9005 C CG . ASN F 4 218 ? 26.464 21.795 -141.936 1.00 81.53 ? 233 ASN F CG 1 ATOM 9006 O OD1 . ASN F 4 218 ? 27.416 22.597 -142.019 1.00 75.29 ? 233 ASN F OD1 1 ATOM 9007 N ND2 . ASN F 4 218 ? 25.928 21.453 -140.792 1.00 72.25 ? 233 ASN F ND2 1 ATOM 9008 N N . ASP F 4 219 ? 27.551 22.297 -145.109 1.00 58.57 ? 234 ASP F N 1 ATOM 9009 C CA . ASP F 4 219 ? 28.906 22.826 -145.149 1.00 57.96 ? 234 ASP F CA 1 ATOM 9010 C C . ASP F 4 219 ? 29.011 23.968 -146.135 1.00 60.39 ? 234 ASP F C 1 ATOM 9011 O O . ASP F 4 219 ? 28.229 24.043 -147.061 1.00 60.34 ? 234 ASP F O 1 ATOM 9012 C CB . ASP F 4 219 ? 29.917 21.713 -145.437 1.00 59.42 ? 234 ASP F CB 1 ATOM 9013 C CG . ASP F 4 219 ? 29.453 20.349 -144.954 1.00 71.75 ? 234 ASP F CG 1 ATOM 9014 O OD1 . ASP F 4 219 ? 28.371 19.924 -145.382 1.00 73.20 -1 234 ASP F OD1 1 ATOM 9015 O OD2 . ASP F 4 219 ? 30.167 19.690 -144.163 1.00 77.00 ? 234 ASP F OD2 1 ATOM 9016 N N . GLU F 4 220 ? 29.957 24.866 -145.918 1.00 55.58 ? 235 GLU F N 1 ATOM 9017 C CA . GLU F 4 220 ? 30.172 25.966 -146.845 1.00 55.50 ? 235 GLU F CA 1 ATOM 9018 C C . GLU F 4 220 ? 31.336 25.710 -147.824 1.00 56.59 ? 235 GLU F C 1 ATOM 9019 O O . GLU F 4 220 ? 32.423 25.360 -147.427 1.00 55.39 ? 235 GLU F O 1 ATOM 9020 C CB . GLU F 4 220 ? 30.420 27.247 -146.067 1.00 57.58 ? 235 GLU F CB 1 ATOM 9021 N N . TRP F 4 221 ? 31.090 25.897 -149.107 1.00 51.85 ? 236 TRP F N 1 ATOM 9022 C CA . TRP F 4 221 ? 32.100 25.599 -150.126 1.00 50.61 ? 236 TRP F CA 1 ATOM 9023 C C . TRP F 4 221 ? 32.483 26.871 -150.893 1.00 55.81 ? 236 TRP F C 1 ATOM 9024 O O . TRP F 4 221 ? 31.644 27.453 -151.593 1.00 55.94 ? 236 TRP F O 1 ATOM 9025 C CB . TRP F 4 221 ? 31.620 24.487 -151.076 1.00 48.22 ? 236 TRP F CB 1 ATOM 9026 C CG . TRP F 4 221 ? 32.712 23.937 -151.944 1.00 48.19 ? 236 TRP F CG 1 ATOM 9027 C CD1 . TRP F 4 221 ? 32.818 24.052 -153.297 1.00 51.35 ? 236 TRP F CD1 1 ATOM 9028 C CD2 . TRP F 4 221 ? 33.885 23.241 -151.506 1.00 47.15 ? 236 TRP F CD2 1 ATOM 9029 N NE1 . TRP F 4 221 ? 33.965 23.436 -153.736 1.00 50.25 ? 236 TRP F NE1 1 ATOM 9030 C CE2 . TRP F 4 221 ? 34.648 22.941 -152.655 1.00 50.89 ? 236 TRP F CE2 1 ATOM 9031 C CE3 . TRP F 4 221 ? 34.360 22.824 -150.249 1.00 47.70 ? 236 TRP F CE3 1 ATOM 9032 C CZ2 . TRP F 4 221 ? 35.862 22.246 -152.589 1.00 49.50 ? 236 TRP F CZ2 1 ATOM 9033 C CZ3 . TRP F 4 221 ? 35.570 22.152 -150.182 1.00 48.61 ? 236 TRP F CZ3 1 ATOM 9034 C CH2 . TRP F 4 221 ? 36.308 21.870 -151.342 1.00 49.21 ? 236 TRP F CH2 1 ATOM 9035 N N . THR F 4 222 ? 33.757 27.296 -150.749 1.00 52.58 ? 237 THR F N 1 ATOM 9036 C CA . THR F 4 222 ? 34.281 28.533 -151.350 1.00 53.23 ? 237 THR F CA 1 ATOM 9037 C C . THR F 4 222 ? 35.371 28.276 -152.421 1.00 57.20 ? 237 THR F C 1 ATOM 9038 O O . THR F 4 222 ? 36.058 29.217 -152.839 1.00 58.48 ? 237 THR F O 1 ATOM 9039 C CB . THR F 4 222 ? 34.816 29.464 -150.247 1.00 60.18 ? 237 THR F CB 1 ATOM 9040 O OG1 . THR F 4 222 ? 35.868 28.808 -149.533 1.00 58.95 ? 237 THR F OG1 1 ATOM 9041 C CG2 . THR F 4 222 ? 33.724 29.928 -149.288 1.00 58.30 ? 237 THR F CG2 1 ATOM 9042 N N . GLN F 4 223 ? 35.515 27.026 -152.876 1.00 51.84 ? 238 GLN F N 1 ATOM 9043 C CA . GLN F 4 223 ? 36.497 26.685 -153.904 1.00 51.27 ? 238 GLN F CA 1 ATOM 9044 C C . GLN F 4 223 ? 35.804 26.620 -155.263 1.00 55.35 ? 238 GLN F C 1 ATOM 9045 O O . GLN F 4 223 ? 34.632 26.243 -155.332 1.00 54.85 ? 238 GLN F O 1 ATOM 9046 C CB . GLN F 4 223 ? 37.223 25.364 -153.585 1.00 51.47 ? 238 GLN F CB 1 ATOM 9047 C CG . GLN F 4 223 ? 37.876 25.299 -152.193 1.00 64.78 ? 238 GLN F CG 1 ATOM 9048 C CD . GLN F 4 223 ? 39.092 26.181 -152.036 1.00 85.45 ? 238 GLN F CD 1 ATOM 9049 O OE1 . GLN F 4 223 ? 39.052 27.222 -151.369 1.00 80.84 ? 238 GLN F OE1 1 ATOM 9050 N NE2 . GLN F 4 223 ? 40.209 25.769 -152.621 1.00 77.91 ? 238 GLN F NE2 1 ATOM 9051 N N . ASP F 4 224 ? 36.531 27.002 -156.338 1.00 52.27 ? 239 ASP F N 1 ATOM 9052 C CA . ASP F 4 224 ? 36.047 27.040 -157.727 1.00 52.17 ? 239 ASP F CA 1 ATOM 9053 C C . ASP F 4 224 ? 35.401 25.720 -158.177 1.00 52.61 ? 239 ASP F C 1 ATOM 9054 O O . ASP F 4 224 ? 34.287 25.747 -158.712 1.00 53.34 ? 239 ASP F O 1 ATOM 9055 C CB . ASP F 4 224 ? 37.190 27.407 -158.692 1.00 54.70 ? 239 ASP F CB 1 ATOM 9056 C CG . ASP F 4 224 ? 37.448 28.895 -158.872 1.00 69.60 ? 239 ASP F CG 1 ATOM 9057 O OD1 . ASP F 4 224 ? 36.572 29.711 -158.480 1.00 70.68 ? 239 ASP F OD1 1 ATOM 9058 O OD2 . ASP F 4 224 ? 38.503 29.247 -159.445 1.00 77.98 -1 239 ASP F OD2 1 ATOM 9059 N N . ARG F 4 225 ? 36.084 24.578 -157.925 1.00 44.74 ? 240 ARG F N 1 ATOM 9060 C CA . ARG F 4 225 ? 35.648 23.223 -158.290 1.00 42.38 ? 240 ARG F CA 1 ATOM 9061 C C . ARG F 4 225 ? 34.307 22.824 -157.653 1.00 43.14 ? 240 ARG F C 1 ATOM 9062 O O . ARG F 4 225 ? 33.791 23.533 -156.788 1.00 42.44 ? 240 ARG F O 1 ATOM 9063 C CB . ARG F 4 225 ? 36.730 22.184 -157.924 1.00 39.93 ? 240 ARG F CB 1 ATOM 9064 C CG . ARG F 4 225 ? 37.088 22.111 -156.445 1.00 43.93 ? 240 ARG F CG 1 ATOM 9065 C CD . ARG F 4 225 ? 38.246 21.167 -156.239 1.00 44.63 ? 240 ARG F CD 1 ATOM 9066 N NE . ARG F 4 225 ? 38.701 21.132 -154.850 1.00 41.12 ? 240 ARG F NE 1 ATOM 9067 C CZ . ARG F 4 225 ? 38.323 20.222 -153.958 1.00 47.45 ? 240 ARG F CZ 1 ATOM 9068 N NH1 . ARG F 4 225 ? 37.460 19.271 -154.293 1.00 26.29 1 240 ARG F NH1 1 ATOM 9069 N NH2 . ARG F 4 225 ? 38.804 20.254 -152.726 1.00 34.31 ? 240 ARG F NH2 1 ATOM 9070 N N . ALA F 4 226 ? 33.753 21.678 -158.088 1.00 38.00 ? 241 ALA F N 1 ATOM 9071 C CA . ALA F 4 226 ? 32.500 21.130 -157.562 1.00 36.98 ? 241 ALA F CA 1 ATOM 9072 C C . ALA F 4 226 ? 32.639 20.798 -156.072 1.00 38.17 ? 241 ALA F C 1 ATOM 9073 O O . ALA F 4 226 ? 33.739 20.445 -155.628 1.00 37.24 ? 241 ALA F O 1 ATOM 9074 C CB . ALA F 4 226 ? 32.115 19.880 -158.338 1.00 37.55 ? 241 ALA F CB 1 ATOM 9075 N N . LYS F 4 227 ? 31.542 20.939 -155.299 1.00 32.87 ? 242 LYS F N 1 ATOM 9076 C CA . LYS F 4 227 ? 31.545 20.636 -153.867 1.00 31.19 ? 242 LYS F CA 1 ATOM 9077 C C . LYS F 4 227 ? 31.727 19.126 -153.687 1.00 34.25 ? 242 LYS F C 1 ATOM 9078 O O . LYS F 4 227 ? 30.979 18.354 -154.301 1.00 33.82 ? 242 LYS F O 1 ATOM 9079 C CB . LYS F 4 227 ? 30.266 21.138 -153.183 1.00 32.93 ? 242 LYS F CB 1 ATOM 9080 C CG . LYS F 4 227 ? 30.286 20.999 -151.666 1.00 34.28 ? 242 LYS F CG 1 ATOM 9081 C CD . LYS F 4 227 ? 29.038 21.594 -151.070 1.00 41.48 ? 242 LYS F CD 1 ATOM 9082 C CE . LYS F 4 227 ? 29.033 21.554 -149.571 1.00 47.44 ? 242 LYS F CE 1 ATOM 9083 N NZ . LYS F 4 227 ? 27.774 22.138 -149.033 1.00 52.74 1 242 LYS F NZ 1 ATOM 9084 N N . PRO F 4 228 ? 32.749 18.694 -152.900 1.00 29.77 ? 243 PRO F N 1 ATOM 9085 C CA . PRO F 4 228 ? 33.005 17.252 -152.745 1.00 28.66 ? 243 PRO F CA 1 ATOM 9086 C C . PRO F 4 228 ? 32.018 16.606 -151.769 1.00 30.78 ? 243 PRO F C 1 ATOM 9087 O O . PRO F 4 228 ? 32.381 16.167 -150.671 1.00 29.09 ? 243 PRO F O 1 ATOM 9088 C CB . PRO F 4 228 ? 34.464 17.203 -152.267 1.00 30.00 ? 243 PRO F CB 1 ATOM 9089 C CG . PRO F 4 228 ? 34.668 18.494 -151.560 1.00 34.50 ? 243 PRO F CG 1 ATOM 9090 C CD . PRO F 4 228 ? 33.718 19.501 -152.130 1.00 30.80 ? 243 PRO F CD 1 ATOM 9091 N N . VAL F 4 229 ? 30.747 16.547 -152.208 1.00 27.20 ? 244 VAL F N 1 ATOM 9092 C CA . VAL F 4 229 ? 29.612 15.991 -151.466 1.00 26.15 ? 244 VAL F CA 1 ATOM 9093 C C . VAL F 4 229 ? 29.615 14.472 -151.554 1.00 29.03 ? 244 VAL F C 1 ATOM 9094 O O . VAL F 4 229 ? 30.341 13.895 -152.367 1.00 29.33 ? 244 VAL F O 1 ATOM 9095 C CB . VAL F 4 229 ? 28.239 16.577 -151.928 1.00 30.24 ? 244 VAL F CB 1 ATOM 9096 C CG1 . VAL F 4 229 ? 28.031 17.985 -151.394 1.00 30.10 ? 244 VAL F CG1 1 ATOM 9097 C CG2 . VAL F 4 229 ? 28.068 16.535 -153.449 1.00 30.51 ? 244 VAL F CG2 1 ATOM 9098 N N . THR F 4 230 ? 28.794 13.828 -150.712 1.00 24.30 ? 245 THR F N 1 ATOM 9099 C CA . THR F 4 230 ? 28.615 12.384 -150.687 1.00 23.39 ? 245 THR F CA 1 ATOM 9100 C C . THR F 4 230 ? 28.021 12.011 -152.043 1.00 27.48 ? 245 THR F C 1 ATOM 9101 O O . THR F 4 230 ? 27.010 12.581 -152.457 1.00 28.02 ? 245 THR F O 1 ATOM 9102 C CB . THR F 4 230 ? 27.783 11.997 -149.468 1.00 28.47 ? 245 THR F CB 1 ATOM 9103 O OG1 . THR F 4 230 ? 28.534 12.353 -148.307 1.00 25.13 ? 245 THR F OG1 1 ATOM 9104 C CG2 . THR F 4 230 ? 27.444 10.511 -149.421 1.00 27.44 ? 245 THR F CG2 1 ATOM 9105 N N . GLN F 4 231 ? 28.721 11.131 -152.771 1.00 23.24 ? 246 GLN F N 1 ATOM 9106 C CA . GLN F 4 231 ? 28.365 10.747 -154.139 1.00 23.10 ? 246 GLN F CA 1 ATOM 9107 C C . GLN F 4 231 ? 28.868 9.351 -154.517 1.00 25.86 ? 246 GLN F C 1 ATOM 9108 O O . GLN F 4 231 ? 29.744 8.796 -153.856 1.00 23.78 ? 246 GLN F O 1 ATOM 9109 C CB . GLN F 4 231 ? 28.960 11.779 -155.127 1.00 24.42 ? 246 GLN F CB 1 ATOM 9110 C CG . GLN F 4 231 ? 30.498 11.846 -155.109 1.00 30.32 ? 246 GLN F CG 1 ATOM 9111 C CD . GLN F 4 231 ? 31.037 12.967 -155.942 1.00 46.22 ? 246 GLN F CD 1 ATOM 9112 O OE1 . GLN F 4 231 ? 31.279 12.818 -157.140 1.00 42.37 ? 246 GLN F OE1 1 ATOM 9113 N NE2 . GLN F 4 231 ? 31.236 14.118 -155.323 1.00 36.92 ? 246 GLN F NE2 1 ATOM 9114 N N . ILE F 4 232 ? 28.350 8.828 -155.629 1.00 23.71 ? 247 ILE F N 1 ATOM 9115 C CA . ILE F 4 232 ? 28.766 7.551 -156.178 1.00 23.88 ? 247 ILE F CA 1 ATOM 9116 C C . ILE F 4 232 ? 29.517 7.820 -157.476 1.00 29.65 ? 247 ILE F C 1 ATOM 9117 O O . ILE F 4 232 ? 29.019 8.535 -158.351 1.00 31.14 ? 247 ILE F O 1 ATOM 9118 C CB . ILE F 4 232 ? 27.562 6.581 -156.366 1.00 27.45 ? 247 ILE F CB 1 ATOM 9119 C CG1 . ILE F 4 232 ? 27.159 5.953 -155.020 1.00 27.07 ? 247 ILE F CG1 1 ATOM 9120 C CG2 . ILE F 4 232 ? 27.858 5.495 -157.424 1.00 28.70 ? 247 ILE F CG2 1 ATOM 9121 C CD1 . ILE F 4 232 ? 25.818 5.251 -155.010 1.00 34.20 ? 247 ILE F CD1 1 ATOM 9122 N N . VAL F 4 233 ? 30.733 7.261 -157.578 1.00 25.49 ? 248 VAL F N 1 ATOM 9123 C CA . VAL F 4 233 ? 31.563 7.317 -158.780 1.00 25.15 ? 248 VAL F CA 1 ATOM 9124 C C . VAL F 4 233 ? 31.745 5.856 -159.220 1.00 29.02 ? 248 VAL F C 1 ATOM 9125 O O . VAL F 4 233 ? 32.040 4.993 -158.390 1.00 27.41 ? 248 VAL F O 1 ATOM 9126 C CB . VAL F 4 233 ? 32.902 8.101 -158.618 1.00 28.01 ? 248 VAL F CB 1 ATOM 9127 C CG1 . VAL F 4 233 ? 33.595 8.283 -159.966 1.00 27.86 ? 248 VAL F CG1 1 ATOM 9128 C CG2 . VAL F 4 233 ? 32.672 9.464 -157.966 1.00 27.67 ? 248 VAL F CG2 1 ATOM 9129 N N . SER F 4 234 ? 31.472 5.576 -160.498 1.00 26.94 ? 249 SER F N 1 ATOM 9130 C CA . SER F 4 234 ? 31.551 4.224 -161.058 1.00 27.15 ? 249 SER F CA 1 ATOM 9131 C C . SER F 4 234 ? 32.422 4.141 -162.313 1.00 31.77 ? 249 SER F C 1 ATOM 9132 O O . SER F 4 234 ? 32.675 5.145 -162.977 1.00 31.91 ? 249 SER F O 1 ATOM 9133 C CB . SER F 4 234 ? 30.153 3.707 -161.393 1.00 31.31 ? 249 SER F CB 1 ATOM 9134 O OG . SER F 4 234 ? 29.313 3.654 -160.253 1.00 40.06 ? 249 SER F OG 1 ATOM 9135 N N . ALA F 4 235 ? 32.881 2.925 -162.616 1.00 28.47 ? 250 ALA F N 1 ATOM 9136 C CA . ALA F 4 235 ? 33.628 2.549 -163.814 1.00 28.89 ? 250 ALA F CA 1 ATOM 9137 C C . ALA F 4 235 ? 33.082 1.208 -164.286 1.00 34.61 ? 250 ALA F C 1 ATOM 9138 O O . ALA F 4 235 ? 32.844 0.320 -163.463 1.00 33.20 ? 250 ALA F O 1 ATOM 9139 C CB . ALA F 4 235 ? 35.116 2.476 -163.533 1.00 28.86 ? 250 ALA F CB 1 ATOM 9140 N N . GLU F 4 236 ? 32.807 1.079 -165.590 1.00 33.39 ? 251 GLU F N 1 ATOM 9141 C CA . GLU F 4 236 ? 32.199 -0.145 -166.087 1.00 34.77 ? 251 GLU F CA 1 ATOM 9142 C C . GLU F 4 236 ? 32.966 -0.792 -167.244 1.00 39.31 ? 251 GLU F C 1 ATOM 9143 O O . GLU F 4 236 ? 33.798 -0.157 -167.895 1.00 38.50 ? 251 GLU F O 1 ATOM 9144 C CB . GLU F 4 236 ? 30.734 0.110 -166.489 1.00 37.45 ? 251 GLU F CB 1 ATOM 9145 C CG . GLU F 4 236 ? 30.515 1.150 -167.578 1.00 49.61 ? 251 GLU F CG 1 ATOM 9146 C CD . GLU F 4 236 ? 29.098 1.208 -168.112 1.00 69.28 ? 251 GLU F CD 1 ATOM 9147 O OE1 . GLU F 4 236 ? 28.918 1.025 -169.338 1.00 70.23 ? 251 GLU F OE1 1 ATOM 9148 O OE2 . GLU F 4 236 ? 28.165 1.418 -167.303 1.00 57.85 -1 251 GLU F OE2 1 ATOM 9149 N N . ALA F 4 237 ? 32.679 -2.082 -167.471 1.00 37.17 ? 252 ALA F N 1 ATOM 9150 C CA . ALA F 4 237 ? 33.255 -2.888 -168.538 1.00 38.06 ? 252 ALA F CA 1 ATOM 9151 C C . ALA F 4 237 ? 32.334 -4.048 -168.923 1.00 44.11 ? 252 ALA F C 1 ATOM 9152 O O . ALA F 4 237 ? 31.711 -4.683 -168.065 1.00 43.34 ? 252 ALA F O 1 ATOM 9153 C CB . ALA F 4 237 ? 34.620 -3.423 -168.131 1.00 37.98 ? 252 ALA F CB 1 ATOM 9154 N N . TRP F 4 238 ? 32.248 -4.303 -170.225 1.00 42.97 ? 253 TRP F N 1 ATOM 9155 C CA . TRP F 4 238 ? 31.504 -5.417 -170.786 1.00 44.97 ? 253 TRP F CA 1 ATOM 9156 C C . TRP F 4 238 ? 32.502 -6.520 -171.129 1.00 50.20 ? 253 TRP F C 1 ATOM 9157 O O . TRP F 4 238 ? 33.687 -6.237 -171.324 1.00 48.40 ? 253 TRP F O 1 ATOM 9158 C CB . TRP F 4 238 ? 30.713 -4.967 -172.031 1.00 44.97 ? 253 TRP F CB 1 ATOM 9159 C CG . TRP F 4 238 ? 29.577 -4.039 -171.720 1.00 46.31 ? 253 TRP F CG 1 ATOM 9160 C CD1 . TRP F 4 238 ? 29.647 -2.689 -171.530 1.00 48.40 ? 253 TRP F CD1 1 ATOM 9161 C CD2 . TRP F 4 238 ? 28.208 -4.405 -171.506 1.00 47.43 ? 253 TRP F CD2 1 ATOM 9162 N NE1 . TRP F 4 238 ? 28.405 -2.190 -171.214 1.00 48.43 ? 253 TRP F NE1 1 ATOM 9163 C CE2 . TRP F 4 238 ? 27.500 -3.221 -171.200 1.00 51.16 ? 253 TRP F CE2 1 ATOM 9164 C CE3 . TRP F 4 238 ? 27.505 -5.622 -171.549 1.00 50.17 ? 253 TRP F CE3 1 ATOM 9165 C CZ2 . TRP F 4 238 ? 26.121 -3.216 -170.952 1.00 51.63 ? 253 TRP F CZ2 1 ATOM 9166 C CZ3 . TRP F 4 238 ? 26.138 -5.614 -171.318 1.00 52.89 ? 253 TRP F CZ3 1 ATOM 9167 C CH2 . TRP F 4 238 ? 25.460 -4.423 -171.019 1.00 53.24 ? 253 TRP F CH2 1 ATOM 9168 N N . GLY F 4 239 ? 32.029 -7.757 -171.195 1.00 49.60 ? 254 GLY F N 1 ATOM 9169 C CA . GLY F 4 239 ? 32.866 -8.886 -171.575 1.00 50.57 ? 254 GLY F CA 1 ATOM 9170 C C . GLY F 4 239 ? 33.308 -8.809 -173.027 1.00 56.99 ? 254 GLY F C 1 ATOM 9171 O O . GLY F 4 239 ? 32.629 -8.182 -173.847 1.00 57.06 ? 254 GLY F O 1 ATOM 9172 N N . ARG F 4 240 ? 34.470 -9.408 -173.354 1.00 55.13 ? 255 ARG F N 1 ATOM 9173 C CA . ARG F 4 240 ? 34.997 -9.369 -174.725 1.00 56.34 ? 255 ARG F CA 1 ATOM 9174 C C . ARG F 4 240 ? 35.619 -10.705 -175.161 1.00 62.65 ? 255 ARG F C 1 ATOM 9175 O O . ARG F 4 240 ? 36.199 -11.421 -174.337 1.00 62.72 ? 255 ARG F O 1 ATOM 9176 C CB . ARG F 4 240 ? 36.016 -8.221 -174.917 1.00 55.54 ? 255 ARG F CB 1 ATOM 9177 C CG . ARG F 4 240 ? 37.181 -8.188 -173.926 1.00 65.21 ? 255 ARG F CG 1 ATOM 9178 C CD . ARG F 4 240 ? 38.442 -7.550 -174.498 1.00 78.48 ? 255 ARG F CD 1 ATOM 9179 N NE . ARG F 4 240 ? 38.284 -6.123 -174.801 1.00 89.35 ? 255 ARG F NE 1 ATOM 9180 C CZ . ARG F 4 240 ? 38.373 -5.598 -176.021 1.00 106.44 ? 255 ARG F CZ 1 ATOM 9181 N NH1 . ARG F 4 240 ? 38.632 -6.372 -177.068 1.00 96.12 1 255 ARG F NH1 1 ATOM 9182 N NH2 . ARG F 4 240 ? 38.217 -4.293 -176.201 1.00 92.66 ? 255 ARG F NH2 1 ATOM 9183 N N . ALA F 4 241 ? 35.504 -11.017 -176.472 1.00 60.31 ? 256 ALA F N 1 ATOM 9184 C CA . ALA F 4 241 ? 36.042 -12.227 -177.100 1.00 88.75 ? 256 ALA F CA 1 ATOM 9185 C C . ALA F 4 241 ? 37.188 -11.895 -178.060 1.00 107.42 ? 256 ALA F C 1 ATOM 9186 O O . ALA F 4 241 ? 37.334 -10.752 -178.497 1.00 63.04 ? 256 ALA F O 1 ATOM 9187 C CB . ALA F 4 241 ? 34.940 -12.963 -177.844 1.00 91.39 ? 256 ALA F CB 1 ATOM 9188 N N . GLN G 3 4 ? 35.041 -27.963 1.899 1.00 41.39 ? 9 GLN G N 1 ATOM 9189 C CA . GLN G 3 4 ? 36.107 -28.278 0.937 1.00 41.18 ? 9 GLN G CA 1 ATOM 9190 C C . GLN G 3 4 ? 35.826 -29.630 0.266 1.00 41.66 ? 9 GLN G C 1 ATOM 9191 O O . GLN G 3 4 ? 35.626 -30.633 0.949 1.00 42.06 ? 9 GLN G O 1 ATOM 9192 C CB . GLN G 3 4 ? 37.489 -28.268 1.625 1.00 44.68 ? 9 GLN G CB 1 ATOM 9193 C CG . GLN G 3 4 ? 38.693 -28.320 0.672 1.00 66.67 ? 9 GLN G CG 1 ATOM 9194 C CD . GLN G 3 4 ? 38.975 -27.016 -0.049 1.00 87.99 ? 9 GLN G CD 1 ATOM 9195 O OE1 . GLN G 3 4 ? 38.792 -25.912 0.485 1.00 85.87 ? 9 GLN G OE1 1 ATOM 9196 N NE2 . GLN G 3 4 ? 39.476 -27.118 -1.274 1.00 77.53 ? 9 GLN G NE2 1 ATOM 9197 N N . VAL G 3 5 ? 35.775 -29.633 -1.068 1.00 35.06 ? 10 VAL G N 1 ATOM 9198 C CA . VAL G 3 5 ? 35.502 -30.813 -1.893 1.00 33.31 ? 10 VAL G CA 1 ATOM 9199 C C . VAL G 3 5 ? 36.574 -30.861 -3.009 1.00 35.66 ? 10 VAL G C 1 ATOM 9200 O O . VAL G 3 5 ? 36.749 -29.884 -3.740 1.00 34.67 ? 10 VAL G O 1 ATOM 9201 C CB . VAL G 3 5 ? 34.020 -30.849 -2.412 1.00 35.53 ? 10 VAL G CB 1 ATOM 9202 C CG1 . VAL G 3 5 ? 33.607 -29.549 -3.097 1.00 34.94 ? 10 VAL G CG1 1 ATOM 9203 C CG2 . VAL G 3 5 ? 33.747 -32.052 -3.307 1.00 34.64 ? 10 VAL G CG2 1 ATOM 9204 N N . THR G 3 6 ? 37.329 -31.979 -3.079 1.00 31.98 ? 11 THR G N 1 ATOM 9205 C CA . THR G 3 6 ? 38.431 -32.188 -4.033 1.00 32.01 ? 11 THR G CA 1 ATOM 9206 C C . THR G 3 6 ? 38.161 -33.411 -4.931 1.00 34.82 ? 11 THR G C 1 ATOM 9207 O O . THR G 3 6 ? 37.712 -34.450 -4.442 1.00 35.49 ? 11 THR G O 1 ATOM 9208 C CB . THR G 3 6 ? 39.762 -32.336 -3.256 1.00 39.34 ? 11 THR G CB 1 ATOM 9209 O OG1 . THR G 3 6 ? 39.950 -31.179 -2.447 1.00 39.63 ? 11 THR G OG1 1 ATOM 9210 C CG2 . THR G 3 6 ? 40.972 -32.499 -4.161 1.00 39.70 ? 11 THR G CG2 1 ATOM 9211 N N . GLN G 3 7 ? 38.460 -33.286 -6.230 1.00 29.27 ? 12 GLN G N 1 ATOM 9212 C CA . GLN G 3 7 ? 38.293 -34.363 -7.204 1.00 28.61 ? 12 GLN G CA 1 ATOM 9213 C C . GLN G 3 7 ? 39.635 -34.779 -7.787 1.00 34.51 ? 12 GLN G C 1 ATOM 9214 O O . GLN G 3 7 ? 40.505 -33.932 -8.000 1.00 34.61 ? 12 GLN G O 1 ATOM 9215 C CB . GLN G 3 7 ? 37.330 -33.951 -8.329 1.00 28.31 ? 12 GLN G CB 1 ATOM 9216 C CG . GLN G 3 7 ? 35.856 -34.018 -7.928 1.00 25.40 ? 12 GLN G CG 1 ATOM 9217 C CD . GLN G 3 7 ? 34.920 -33.803 -9.084 1.00 30.83 ? 12 GLN G CD 1 ATOM 9218 O OE1 . GLN G 3 7 ? 34.238 -32.786 -9.166 1.00 22.01 ? 12 GLN G OE1 1 ATOM 9219 N NE2 . GLN G 3 7 ? 34.835 -34.766 -9.988 1.00 25.69 ? 12 GLN G NE2 1 ATOM 9220 N N . SER G 3 8 ? 39.811 -36.083 -8.035 1.00 32.22 ? 13 SER G N 1 ATOM 9221 C CA . SER G 3 8 ? 41.042 -36.597 -8.635 1.00 33.58 ? 13 SER G CA 1 ATOM 9222 C C . SER G 3 8 ? 40.762 -37.807 -9.560 1.00 37.81 ? 13 SER G C 1 ATOM 9223 O O . SER G 3 8 ? 39.929 -38.654 -9.232 1.00 36.90 ? 13 SER G O 1 ATOM 9224 C CB . SER G 3 8 ? 42.086 -36.944 -7.574 1.00 39.28 ? 13 SER G CB 1 ATOM 9225 O OG . SER G 3 8 ? 41.622 -37.896 -6.633 1.00 51.08 ? 13 SER G OG 1 ATOM 9226 N N . PRO G 3 9 ? 41.442 -37.904 -10.728 1.00 35.37 ? 14 PRO G N 1 ATOM 9227 C CA . PRO G 3 9 ? 42.426 -36.954 -11.274 1.00 35.48 ? 14 PRO G CA 1 ATOM 9228 C C . PRO G 3 9 ? 41.711 -35.772 -11.931 1.00 37.90 ? 14 PRO G C 1 ATOM 9229 O O . PRO G 3 9 ? 40.501 -35.842 -12.112 1.00 36.38 ? 14 PRO G O 1 ATOM 9230 C CB . PRO G 3 9 ? 43.213 -37.820 -12.266 1.00 37.79 ? 14 PRO G CB 1 ATOM 9231 C CG . PRO G 3 9 ? 42.206 -38.815 -12.774 1.00 41.42 ? 14 PRO G CG 1 ATOM 9232 C CD . PRO G 3 9 ? 41.215 -39.040 -11.651 1.00 36.85 ? 14 PRO G CD 1 ATOM 9233 N N . GLU G 3 10 ? 42.431 -34.684 -12.255 1.00 35.00 ? 15 GLU G N 1 ATOM 9234 C CA . GLU G 3 10 ? 41.821 -33.524 -12.908 1.00 34.04 ? 15 GLU G CA 1 ATOM 9235 C C . GLU G 3 10 ? 41.413 -33.925 -14.344 1.00 37.22 ? 15 GLU G C 1 ATOM 9236 O O . GLU G 3 10 ? 40.370 -33.493 -14.842 1.00 35.95 ? 15 GLU G O 1 ATOM 9237 C CB . GLU G 3 10 ? 42.777 -32.304 -12.851 1.00 36.51 ? 15 GLU G CB 1 ATOM 9238 C CG . GLU G 3 10 ? 42.996 -31.508 -14.138 1.00 52.14 ? 15 GLU G CG 1 ATOM 9239 C CD . GLU G 3 10 ? 41.845 -30.692 -14.708 1.00 80.92 ? 15 GLU G CD 1 ATOM 9240 O OE1 . GLU G 3 10 ? 40.815 -30.514 -14.015 1.00 71.70 ? 15 GLU G OE1 1 ATOM 9241 O OE2 . GLU G 3 10 ? 41.971 -30.252 -15.874 1.00 78.98 -1 15 GLU G OE2 1 ATOM 9242 N N . ALA G 3 11 ? 42.230 -34.783 -14.974 1.00 34.47 ? 16 ALA G N 1 ATOM 9243 C CA . ALA G 3 11 ? 42.016 -35.309 -16.317 1.00 33.50 ? 16 ALA G CA 1 ATOM 9244 C C . ALA G 3 11 ? 42.297 -36.800 -16.340 1.00 37.19 ? 16 ALA G C 1 ATOM 9245 O O . ALA G 3 11 ? 43.220 -37.265 -15.665 1.00 37.40 ? 16 ALA G O 1 ATOM 9246 C CB . ALA G 3 11 ? 42.907 -34.586 -17.316 1.00 34.28 ? 16 ALA G CB 1 ATOM 9247 N N . LEU G 3 12 ? 41.483 -37.553 -17.097 1.00 33.65 ? 17 LEU G N 1 ATOM 9248 C CA . LEU G 3 12 ? 41.638 -38.993 -17.233 1.00 34.28 ? 17 LEU G CA 1 ATOM 9249 C C . LEU G 3 12 ? 41.505 -39.419 -18.685 1.00 38.53 ? 17 LEU G C 1 ATOM 9250 O O . LEU G 3 12 ? 40.509 -39.118 -19.344 1.00 37.07 ? 17 LEU G O 1 ATOM 9251 C CB . LEU G 3 12 ? 40.641 -39.757 -16.343 1.00 34.31 ? 17 LEU G CB 1 ATOM 9252 C CG . LEU G 3 12 ? 40.963 -41.238 -16.066 1.00 40.39 ? 17 LEU G CG 1 ATOM 9253 C CD1 . LEU G 3 12 ? 42.377 -41.424 -15.496 1.00 41.75 ? 17 LEU G CD1 1 ATOM 9254 C CD2 . LEU G 3 12 ? 39.950 -41.849 -15.120 1.00 42.71 ? 17 LEU G CD2 1 ATOM 9255 N N . ARG G 3 13 ? 42.542 -40.116 -19.176 1.00 36.77 ? 18 ARG G N 1 ATOM 9256 C CA . ARG G 3 13 ? 42.621 -40.668 -20.530 1.00 36.36 ? 18 ARG G CA 1 ATOM 9257 C C . ARG G 3 13 ? 42.484 -42.187 -20.444 1.00 39.65 ? 18 ARG G C 1 ATOM 9258 O O . ARG G 3 13 ? 43.390 -42.873 -19.950 1.00 40.91 ? 18 ARG G O 1 ATOM 9259 C CB . ARG G 3 13 ? 43.934 -40.260 -21.229 1.00 37.93 ? 18 ARG G CB 1 ATOM 9260 C CG . ARG G 3 13 ? 43.850 -38.938 -21.986 1.00 50.65 ? 18 ARG G CG 1 ATOM 9261 C CD . ARG G 3 13 ? 45.155 -38.595 -22.694 1.00 66.08 ? 18 ARG G CD 1 ATOM 9262 N NE . ARG G 3 13 ? 45.454 -39.506 -23.804 1.00 77.29 ? 18 ARG G NE 1 ATOM 9263 C CZ . ARG G 3 13 ? 46.673 -39.728 -24.287 1.00 95.51 ? 18 ARG G CZ 1 ATOM 9264 N NH1 . ARG G 3 13 ? 47.726 -39.113 -23.763 1.00 84.55 1 18 ARG G NH1 1 ATOM 9265 N NH2 . ARG G 3 13 ? 46.850 -40.572 -25.295 1.00 85.12 ? 18 ARG G NH2 1 ATOM 9266 N N . LEU G 3 14 ? 41.320 -42.698 -20.868 1.00 33.85 ? 19 LEU G N 1 ATOM 9267 C CA . LEU G 3 14 ? 41.018 -44.126 -20.851 1.00 34.00 ? 19 LEU G CA 1 ATOM 9268 C C . LEU G 3 14 ? 40.835 -44.653 -22.249 1.00 37.09 ? 19 LEU G C 1 ATOM 9269 O O . LEU G 3 14 ? 40.408 -43.915 -23.139 1.00 35.56 ? 19 LEU G O 1 ATOM 9270 C CB . LEU G 3 14 ? 39.748 -44.422 -20.035 1.00 33.63 ? 19 LEU G CB 1 ATOM 9271 C CG . LEU G 3 14 ? 39.752 -44.115 -18.541 1.00 37.55 ? 19 LEU G CG 1 ATOM 9272 C CD1 . LEU G 3 14 ? 38.363 -44.271 -17.978 1.00 37.18 ? 19 LEU G CD1 1 ATOM 9273 C CD2 . LEU G 3 14 ? 40.720 -45.012 -17.783 1.00 40.80 ? 19 LEU G CD2 1 ATOM 9274 N N . GLN G 3 15 ? 41.160 -45.934 -22.443 1.00 34.08 ? 20 GLN G N 1 ATOM 9275 C CA . GLN G 3 15 ? 40.983 -46.628 -23.714 1.00 33.75 ? 20 GLN G CA 1 ATOM 9276 C C . GLN G 3 15 ? 39.579 -47.216 -23.714 1.00 37.14 ? 20 GLN G C 1 ATOM 9277 O O . GLN G 3 15 ? 39.006 -47.397 -22.634 1.00 36.75 ? 20 GLN G O 1 ATOM 9278 C CB . GLN G 3 15 ? 42.066 -47.715 -23.875 1.00 36.87 ? 20 GLN G CB 1 ATOM 9279 C CG . GLN G 3 15 ? 42.366 -48.121 -25.321 1.00 49.32 ? 20 GLN G CG 1 ATOM 9280 C CD . GLN G 3 15 ? 42.850 -46.981 -26.186 1.00 65.29 ? 20 GLN G CD 1 ATOM 9281 O OE1 . GLN G 3 15 ? 43.786 -46.250 -25.839 1.00 61.06 ? 20 GLN G OE1 1 ATOM 9282 N NE2 . GLN G 3 15 ? 42.219 -46.814 -27.340 1.00 55.43 ? 20 GLN G NE2 1 ATOM 9283 N N . GLU G 3 16 ? 38.999 -47.476 -24.896 1.00 33.46 ? 21 GLU G N 1 ATOM 9284 C CA . GLU G 3 16 ? 37.657 -48.054 -24.976 1.00 33.83 ? 21 GLU G CA 1 ATOM 9285 C C . GLU G 3 16 ? 37.646 -49.395 -24.208 1.00 38.93 ? 21 GLU G C 1 ATOM 9286 O O . GLU G 3 16 ? 38.538 -50.219 -24.409 1.00 40.18 ? 21 GLU G O 1 ATOM 9287 C CB . GLU G 3 16 ? 37.224 -48.221 -26.440 1.00 35.56 ? 21 GLU G CB 1 ATOM 9288 C CG . GLU G 3 16 ? 35.718 -48.148 -26.637 1.00 47.75 ? 21 GLU G CG 1 ATOM 9289 C CD . GLU G 3 16 ? 35.221 -48.328 -28.061 1.00 68.21 ? 21 GLU G CD 1 ATOM 9290 O OE1 . GLU G 3 16 ? 34.109 -48.877 -28.232 1.00 61.40 ? 21 GLU G OE1 1 ATOM 9291 O OE2 . GLU G 3 16 ? 35.933 -47.915 -29.005 1.00 60.35 -1 21 GLU G OE2 1 ATOM 9292 N N . GLY G 3 17 ? 36.729 -49.530 -23.249 1.00 34.94 ? 22 GLY G N 1 ATOM 9293 C CA . GLY G 3 17 ? 36.620 -50.722 -22.413 1.00 36.23 ? 22 GLY G CA 1 ATOM 9294 C C . GLY G 3 17 ? 37.517 -50.756 -21.182 1.00 39.97 ? 22 GLY G C 1 ATOM 9295 O O . GLY G 3 17 ? 37.405 -51.687 -20.380 1.00 41.22 ? 22 GLY G O 1 ATOM 9296 N N . GLU G 3 18 ? 38.424 -49.758 -21.022 1.00 35.22 ? 23 GLU G N 1 ATOM 9297 C CA . GLU G 3 18 ? 39.356 -49.664 -19.889 1.00 35.81 ? 23 GLU G CA 1 ATOM 9298 C C . GLU G 3 18 ? 38.641 -49.112 -18.634 1.00 40.35 ? 23 GLU G C 1 ATOM 9299 O O . GLU G 3 18 ? 38.455 -47.896 -18.515 1.00 39.08 ? 23 GLU G O 1 ATOM 9300 C CB . GLU G 3 18 ? 40.581 -48.788 -20.254 1.00 36.20 ? 23 GLU G CB 1 ATOM 9301 C CG . GLU G 3 18 ? 41.642 -48.703 -19.161 1.00 44.44 ? 23 GLU G CG 1 ATOM 9302 C CD . GLU G 3 18 ? 42.767 -47.692 -19.318 1.00 55.14 ? 23 GLU G CD 1 ATOM 9303 O OE1 . GLU G 3 18 ? 43.455 -47.441 -18.303 1.00 49.60 ? 23 GLU G OE1 1 ATOM 9304 O OE2 . GLU G 3 18 ? 42.981 -47.169 -20.436 1.00 40.98 -1 23 GLU G OE2 1 ATOM 9305 N N . SER G 3 19 ? 38.267 -50.014 -17.699 1.00 38.15 ? 24 SER G N 1 ATOM 9306 C CA . SER G 3 19 ? 37.585 -49.680 -16.448 1.00 37.54 ? 24 SER G CA 1 ATOM 9307 C C . SER G 3 19 ? 38.470 -48.826 -15.540 1.00 40.54 ? 24 SER G C 1 ATOM 9308 O O . SER G 3 19 ? 39.690 -49.018 -15.518 1.00 41.72 ? 24 SER G O 1 ATOM 9309 C CB . SER G 3 19 ? 37.151 -50.944 -15.713 1.00 43.20 ? 24 SER G CB 1 ATOM 9310 O OG . SER G 3 19 ? 36.212 -51.682 -16.479 1.00 53.28 ? 24 SER G OG 1 ATOM 9311 N N . SER G 3 20 ? 37.854 -47.879 -14.807 1.00 34.44 ? 25 SER G N 1 ATOM 9312 C CA . SER G 3 20 ? 38.554 -46.953 -13.912 1.00 33.55 ? 25 SER G CA 1 ATOM 9313 C C . SER G 3 20 ? 37.646 -46.433 -12.790 1.00 36.33 ? 25 SER G C 1 ATOM 9314 O O . SER G 3 20 ? 36.478 -46.802 -12.718 1.00 35.30 ? 25 SER G O 1 ATOM 9315 C CB . SER G 3 20 ? 39.101 -45.772 -14.709 1.00 36.05 ? 25 SER G CB 1 ATOM 9316 O OG . SER G 3 20 ? 40.071 -45.043 -13.978 1.00 47.02 ? 25 SER G OG 1 ATOM 9317 N N . SER G 3 21 ? 38.202 -45.584 -11.914 1.00 32.88 ? 26 SER G N 1 ATOM 9318 C CA . SER G 3 21 ? 37.488 -44.980 -10.792 1.00 32.11 ? 26 SER G CA 1 ATOM 9319 C C . SER G 3 21 ? 37.842 -43.503 -10.659 1.00 34.38 ? 26 SER G C 1 ATOM 9320 O O . SER G 3 21 ? 38.976 -43.097 -10.927 1.00 34.01 ? 26 SER G O 1 ATOM 9321 C CB . SER G 3 21 ? 37.791 -45.715 -9.489 1.00 37.80 ? 26 SER G CB 1 ATOM 9322 O OG . SER G 3 21 ? 37.520 -47.102 -9.606 1.00 50.63 ? 26 SER G OG 1 ATOM 9323 N N . LEU G 3 22 ? 36.846 -42.706 -10.266 1.00 30.42 ? 27 LEU G N 1 ATOM 9324 C CA . LEU G 3 22 ? 36.956 -41.262 -10.056 1.00 29.15 ? 27 LEU G CA 1 ATOM 9325 C C . LEU G 3 22 ? 36.784 -40.979 -8.584 1.00 32.22 ? 27 LEU G C 1 ATOM 9326 O O . LEU G 3 22 ? 35.828 -41.461 -7.981 1.00 31.19 ? 27 LEU G O 1 ATOM 9327 C CB . LEU G 3 22 ? 35.908 -40.485 -10.887 1.00 27.80 ? 27 LEU G CB 1 ATOM 9328 C CG . LEU G 3 22 ? 35.709 -40.892 -12.352 1.00 32.57 ? 27 LEU G CG 1 ATOM 9329 C CD1 . LEU G 3 22 ? 34.648 -40.058 -12.990 1.00 31.02 ? 27 LEU G CD1 1 ATOM 9330 C CD2 . LEU G 3 22 ? 36.998 -40.780 -13.151 1.00 35.89 ? 27 LEU G CD2 1 ATOM 9331 N N . ASN G 3 23 ? 37.717 -40.235 -7.994 1.00 29.62 ? 28 ASN G N 1 ATOM 9332 C CA . ASN G 3 23 ? 37.666 -39.918 -6.577 1.00 30.24 ? 28 ASN G CA 1 ATOM 9333 C C . ASN G 3 23 ? 37.111 -38.526 -6.326 1.00 33.36 ? 28 ASN G C 1 ATOM 9334 O O . ASN G 3 23 ? 37.373 -37.593 -7.085 1.00 31.91 ? 28 ASN G O 1 ATOM 9335 C CB . ASN G 3 23 ? 39.055 -40.046 -5.943 1.00 33.27 ? 28 ASN G CB 1 ATOM 9336 C CG . ASN G 3 23 ? 39.072 -39.739 -4.467 1.00 53.98 ? 28 ASN G CG 1 ATOM 9337 O OD1 . ASN G 3 23 ? 38.447 -40.434 -3.659 1.00 47.82 ? 28 ASN G OD1 1 ATOM 9338 N ND2 . ASN G 3 23 ? 39.706 -38.634 -4.100 1.00 46.12 ? 28 ASN G ND2 1 ATOM 9339 N N . CYS G 3 24 ? 36.370 -38.400 -5.228 1.00 31.03 ? 29 CYS G N 1 ATOM 9340 C CA . CYS G 3 24 ? 35.803 -37.158 -4.740 1.00 30.21 ? 29 CYS G CA 1 ATOM 9341 C C . CYS G 3 24 ? 35.907 -37.127 -3.206 1.00 35.04 ? 29 CYS G C 1 ATOM 9342 O O . CYS G 3 24 ? 35.059 -37.692 -2.514 1.00 34.49 ? 29 CYS G O 1 ATOM 9343 C CB . CYS G 3 24 ? 34.366 -36.988 -5.213 1.00 29.59 ? 29 CYS G CB 1 ATOM 9344 S SG . CYS G 3 24 ? 33.519 -35.558 -4.498 1.00 32.87 ? 29 CYS G SG 1 ATOM 9345 N N . SER G 3 25 ? 36.956 -36.485 -2.684 1.00 32.41 ? 30 SER G N 1 ATOM 9346 C CA . SER G 3 25 ? 37.159 -36.353 -1.242 1.00 32.99 ? 30 SER G CA 1 ATOM 9347 C C . SER G 3 25 ? 36.518 -35.079 -0.716 1.00 36.65 ? 30 SER G C 1 ATOM 9348 O O . SER G 3 25 ? 36.518 -34.059 -1.401 1.00 35.40 ? 30 SER G O 1 ATOM 9349 C CB . SER G 3 25 ? 38.646 -36.360 -0.902 1.00 37.52 ? 30 SER G CB 1 ATOM 9350 O OG . SER G 3 25 ? 39.210 -37.645 -1.098 1.00 46.95 ? 30 SER G OG 1 ATOM 9351 N N . TYR G 3 26 ? 35.980 -35.145 0.507 1.00 34.20 ? 31 TYR G N 1 ATOM 9352 C CA . TYR G 3 26 ? 35.370 -34.019 1.209 1.00 33.78 ? 31 TYR G CA 1 ATOM 9353 C C . TYR G 3 26 ? 35.894 -34.052 2.651 1.00 43.45 ? 31 TYR G C 1 ATOM 9354 O O . TYR G 3 26 ? 35.700 -35.028 3.376 1.00 43.74 ? 31 TYR G O 1 ATOM 9355 C CB . TYR G 3 26 ? 33.824 -34.013 1.088 1.00 32.31 ? 31 TYR G CB 1 ATOM 9356 C CG . TYR G 3 26 ? 33.121 -35.248 1.609 1.00 32.56 ? 31 TYR G CG 1 ATOM 9357 C CD1 . TYR G 3 26 ? 33.021 -36.398 0.832 1.00 34.24 ? 31 TYR G CD1 1 ATOM 9358 C CD2 . TYR G 3 26 ? 32.507 -35.250 2.860 1.00 32.79 ? 31 TYR G CD2 1 ATOM 9359 C CE1 . TYR G 3 26 ? 32.378 -37.539 1.309 1.00 35.18 ? 31 TYR G CE1 1 ATOM 9360 C CE2 . TYR G 3 26 ? 31.872 -36.388 3.354 1.00 33.59 ? 31 TYR G CE2 1 ATOM 9361 C CZ . TYR G 3 26 ? 31.804 -37.529 2.571 1.00 40.46 ? 31 TYR G CZ 1 ATOM 9362 O OH . TYR G 3 26 ? 31.172 -38.650 3.053 1.00 39.35 ? 31 TYR G OH 1 ATOM 9363 N N . THR G 3 27 ? 36.681 -33.023 3.000 1.00 44.20 ? 32 THR G N 1 ATOM 9364 C CA . THR G 3 27 ? 37.399 -32.851 4.276 1.00 46.79 ? 32 THR G CA 1 ATOM 9365 C C . THR G 3 27 ? 36.471 -32.614 5.480 1.00 51.05 ? 32 THR G C 1 ATOM 9366 O O . THR G 3 27 ? 36.855 -32.907 6.623 1.00 53.00 ? 32 THR G O 1 ATOM 9367 C CB . THR G 3 27 ? 38.382 -31.662 4.166 1.00 61.26 ? 32 THR G CB 1 ATOM 9368 O OG1 . THR G 3 27 ? 37.641 -30.440 4.076 1.00 62.61 ? 32 THR G OG1 1 ATOM 9369 C CG2 . THR G 3 27 ? 39.343 -31.786 2.976 1.00 61.38 ? 32 THR G CG2 1 ATOM 9370 N N . VAL G 3 28 ? 35.271 -32.118 5.227 1.00 44.90 ? 33 VAL G N 1 ATOM 9371 C CA . VAL G 3 28 ? 34.343 -31.820 6.293 1.00 44.01 ? 33 VAL G CA 1 ATOM 9372 C C . VAL G 3 28 ? 33.700 -33.052 6.891 1.00 46.60 ? 33 VAL G C 1 ATOM 9373 O O . VAL G 3 28 ? 33.936 -34.162 6.457 1.00 46.41 ? 33 VAL G O 1 ATOM 9374 C CB . VAL G 3 28 ? 33.201 -30.912 5.827 1.00 46.35 ? 33 VAL G CB 1 ATOM 9375 C CG1 . VAL G 3 28 ? 32.493 -30.279 7.020 1.00 45.94 ? 33 VAL G CG1 1 ATOM 9376 C CG2 . VAL G 3 28 ? 33.686 -29.881 4.851 1.00 46.08 ? 33 VAL G CG2 1 ATOM 9377 N N . SER G 3 29 ? 32.912 -32.816 7.928 1.00 41.54 ? 34 SER G N 1 ATOM 9378 C CA . SER G 3 29 ? 31.989 -33.779 8.465 1.00 40.45 ? 34 SER G CA 1 ATOM 9379 C C . SER G 3 29 ? 30.649 -33.058 8.686 1.00 40.42 ? 34 SER G C 1 ATOM 9380 O O . SER G 3 29 ? 30.614 -31.970 9.212 1.00 40.74 ? 34 SER G O 1 ATOM 9381 C CB . SER G 3 29 ? 32.547 -34.379 9.735 1.00 46.49 ? 34 SER G CB 1 ATOM 9382 O OG . SER G 3 29 ? 31.757 -35.442 10.201 1.00 56.46 ? 34 SER G OG 1 ATOM 9383 N N . GLY G 3 30 ? 29.562 -33.673 8.268 1.00 32.34 ? 35 GLY G N 1 ATOM 9384 C CA . GLY G 3 30 ? 28.306 -32.986 8.243 1.00 29.38 ? 35 GLY G CA 1 ATOM 9385 C C . GLY G 3 30 ? 27.686 -32.949 6.882 1.00 28.60 ? 35 GLY G C 1 ATOM 9386 O O . GLY G 3 30 ? 27.344 -31.921 6.434 1.00 26.83 ? 35 GLY G O 1 ATOM 9387 N N . LEU G 3 31 ? 27.660 -34.061 6.192 1.00 22.91 ? 36 LEU G N 1 ATOM 9388 C CA . LEU G 3 31 ? 27.043 -34.137 4.907 1.00 20.52 ? 36 LEU G CA 1 ATOM 9389 C C . LEU G 3 31 ? 25.512 -34.131 4.882 1.00 22.69 ? 36 LEU G C 1 ATOM 9390 O O . LEU G 3 31 ? 24.867 -34.797 5.617 1.00 22.64 ? 36 LEU G O 1 ATOM 9391 C CB . LEU G 3 31 ? 27.562 -35.365 4.177 1.00 20.69 ? 36 LEU G CB 1 ATOM 9392 C CG . LEU G 3 31 ? 27.338 -35.450 2.691 1.00 23.84 ? 36 LEU G CG 1 ATOM 9393 C CD1 . LEU G 3 31 ? 28.215 -34.484 1.955 1.00 23.81 ? 36 LEU G CD1 1 ATOM 9394 C CD2 . LEU G 3 31 ? 27.553 -36.847 2.207 1.00 25.64 ? 36 LEU G CD2 1 ATOM 9395 N N . ARG G 3 32 ? 24.955 -33.398 3.957 1.00 18.03 ? 37 ARG G N 1 ATOM 9396 C CA . ARG G 3 32 ? 23.537 -33.481 3.650 1.00 17.07 ? 37 ARG G CA 1 ATOM 9397 C C . ARG G 3 32 ? 23.267 -34.289 2.382 1.00 20.95 ? 37 ARG G C 1 ATOM 9398 O O . ARG G 3 32 ? 22.251 -34.877 2.231 1.00 20.74 ? 37 ARG G O 1 ATOM 9399 C CB . ARG G 3 32 ? 22.928 -32.095 3.594 1.00 14.42 ? 37 ARG G CB 1 ATOM 9400 C CG . ARG G 3 32 ? 22.622 -31.563 4.967 1.00 17.54 ? 37 ARG G CG 1 ATOM 9401 C CD . ARG G 3 32 ? 22.437 -30.078 5.041 1.00 16.65 ? 37 ARG G CD 1 ATOM 9402 N NE . ARG G 3 32 ? 21.132 -29.668 4.592 1.00 13.49 ? 37 ARG G NE 1 ATOM 9403 C CZ . ARG G 3 32 ? 20.046 -29.593 5.339 1.00 25.60 ? 37 ARG G CZ 1 ATOM 9404 N NH1 . ARG G 3 32 ? 20.083 -29.902 6.594 1.00 18.12 1 37 ARG G NH1 1 ATOM 9405 N NH2 . ARG G 3 32 ? 18.927 -29.188 4.819 1.00 12.75 ? 37 ARG G NH2 1 ATOM 9406 N N . GLY G 3 33 ? 24.229 -34.339 1.496 1.00 18.03 ? 38 GLY G N 1 ATOM 9407 C CA . GLY G 3 33 ? 24.162 -35.111 0.262 1.00 17.91 ? 38 GLY G CA 1 ATOM 9408 C C . GLY G 3 33 ? 25.356 -34.931 -0.650 1.00 22.70 ? 38 GLY G C 1 ATOM 9409 O O . GLY G 3 33 ? 25.895 -33.827 -0.781 1.00 21.80 ? 38 GLY G O 1 ATOM 9410 N N . LEU G 3 34 ? 25.778 -36.031 -1.284 1.00 19.78 ? 39 LEU G N 1 ATOM 9411 C CA . LEU G 3 34 ? 26.852 -36.023 -2.265 1.00 19.50 ? 39 LEU G CA 1 ATOM 9412 C C . LEU G 3 34 ? 26.233 -36.335 -3.634 1.00 22.85 ? 39 LEU G C 1 ATOM 9413 O O . LEU G 3 34 ? 25.533 -37.335 -3.793 1.00 23.75 ? 39 LEU G O 1 ATOM 9414 C CB . LEU G 3 34 ? 27.986 -36.994 -1.898 1.00 20.55 ? 39 LEU G CB 1 ATOM 9415 C CG . LEU G 3 34 ? 29.254 -36.844 -2.737 1.00 25.39 ? 39 LEU G CG 1 ATOM 9416 C CD1 . LEU G 3 34 ? 30.505 -36.979 -1.884 1.00 26.17 ? 39 LEU G CD1 1 ATOM 9417 C CD2 . LEU G 3 34 ? 29.247 -37.802 -3.921 1.00 27.62 ? 39 LEU G CD2 1 ATOM 9418 N N . PHE G 3 35 ? 26.504 -35.476 -4.612 1.00 17.95 ? 40 PHE G N 1 ATOM 9419 C CA . PHE G 3 35 ? 25.917 -35.569 -5.948 1.00 16.80 ? 40 PHE G CA 1 ATOM 9420 C C . PHE G 3 35 ? 26.957 -35.738 -7.053 1.00 19.53 ? 40 PHE G C 1 ATOM 9421 O O . PHE G 3 35 ? 28.017 -35.117 -6.996 1.00 19.69 ? 40 PHE G O 1 ATOM 9422 C CB . PHE G 3 35 ? 25.090 -34.297 -6.232 1.00 17.56 ? 40 PHE G CB 1 ATOM 9423 C CG . PHE G 3 35 ? 24.061 -33.950 -5.184 1.00 18.24 ? 40 PHE G CG 1 ATOM 9424 C CD1 . PHE G 3 35 ? 24.417 -33.235 -4.044 1.00 20.70 ? 40 PHE G CD1 1 ATOM 9425 C CD2 . PHE G 3 35 ? 22.735 -34.336 -5.334 1.00 19.98 ? 40 PHE G CD2 1 ATOM 9426 C CE1 . PHE G 3 35 ? 23.465 -32.931 -3.064 1.00 21.39 ? 40 PHE G CE1 1 ATOM 9427 C CE2 . PHE G 3 35 ? 21.779 -34.012 -4.363 1.00 22.68 ? 40 PHE G CE2 1 ATOM 9428 C CZ . PHE G 3 35 ? 22.151 -33.309 -3.236 1.00 20.36 ? 40 PHE G CZ 1 ATOM 9429 N N . TRP G 3 36 ? 26.626 -36.559 -8.071 1.00 15.09 ? 41 TRP G N 1 ATOM 9430 C CA . TRP G 3 36 ? 27.439 -36.785 -9.262 1.00 14.62 ? 41 TRP G CA 1 ATOM 9431 C C . TRP G 3 36 ? 26.682 -36.298 -10.490 1.00 18.09 ? 41 TRP G C 1 ATOM 9432 O O . TRP G 3 36 ? 25.501 -36.608 -10.670 1.00 18.15 ? 41 TRP G O 1 ATOM 9433 C CB . TRP G 3 36 ? 27.834 -38.267 -9.424 1.00 14.00 ? 41 TRP G CB 1 ATOM 9434 C CG . TRP G 3 36 ? 28.963 -38.695 -8.535 1.00 15.27 ? 41 TRP G CG 1 ATOM 9435 C CD1 . TRP G 3 36 ? 28.865 -39.383 -7.364 1.00 18.60 ? 41 TRP G CD1 1 ATOM 9436 C CD2 . TRP G 3 36 ? 30.365 -38.445 -8.739 1.00 15.18 ? 41 TRP G CD2 1 ATOM 9437 N NE1 . TRP G 3 36 ? 30.115 -39.586 -6.827 1.00 18.57 ? 41 TRP G NE1 1 ATOM 9438 C CE2 . TRP G 3 36 ? 31.054 -39.015 -7.646 1.00 19.80 ? 41 TRP G CE2 1 ATOM 9439 C CE3 . TRP G 3 36 ? 31.110 -37.819 -9.760 1.00 16.07 ? 41 TRP G CE3 1 ATOM 9440 C CZ2 . TRP G 3 36 ? 32.455 -38.977 -7.536 1.00 19.64 ? 41 TRP G CZ2 1 ATOM 9441 C CZ3 . TRP G 3 36 ? 32.493 -37.749 -9.633 1.00 18.00 ? 41 TRP G CZ3 1 ATOM 9442 C CH2 . TRP G 3 36 ? 33.150 -38.313 -8.523 1.00 19.47 ? 41 TRP G CH2 1 ATOM 9443 N N . TYR G 3 37 ? 27.366 -35.503 -11.312 1.00 14.36 ? 42 TYR G N 1 ATOM 9444 C CA . TYR G 3 37 ? 26.873 -34.954 -12.579 1.00 14.56 ? 42 TYR G CA 1 ATOM 9445 C C . TYR G 3 37 ? 27.844 -35.262 -13.690 1.00 20.02 ? 42 TYR G C 1 ATOM 9446 O O . TYR G 3 37 ? 29.042 -35.367 -13.427 1.00 18.69 ? 42 TYR G O 1 ATOM 9447 C CB . TYR G 3 37 ? 26.710 -33.422 -12.497 1.00 15.04 ? 42 TYR G CB 1 ATOM 9448 C CG . TYR G 3 37 ? 25.622 -32.946 -11.564 1.00 17.21 ? 42 TYR G CG 1 ATOM 9449 C CD1 . TYR G 3 37 ? 25.886 -32.712 -10.216 1.00 18.48 ? 42 TYR G CD1 1 ATOM 9450 C CD2 . TYR G 3 37 ? 24.347 -32.654 -12.039 1.00 18.66 ? 42 TYR G CD2 1 ATOM 9451 C CE1 . TYR G 3 37 ? 24.892 -32.262 -9.352 1.00 17.31 ? 42 TYR G CE1 1 ATOM 9452 C CE2 . TYR G 3 37 ? 23.344 -32.200 -11.184 1.00 19.76 ? 42 TYR G CE2 1 ATOM 9453 C CZ . TYR G 3 37 ? 23.625 -31.998 -9.842 1.00 24.18 ? 42 TYR G CZ 1 ATOM 9454 O OH . TYR G 3 37 ? 22.659 -31.527 -8.991 1.00 25.15 ? 42 TYR G OH 1 ATOM 9455 N N . ARG G 3 38 ? 27.350 -35.386 -14.934 1.00 18.86 ? 43 ARG G N 1 ATOM 9456 C CA . ARG G 3 38 ? 28.205 -35.551 -16.108 1.00 19.18 ? 43 ARG G CA 1 ATOM 9457 C C . ARG G 3 38 ? 27.960 -34.347 -17.008 1.00 25.34 ? 43 ARG G C 1 ATOM 9458 O O . ARG G 3 38 ? 26.808 -33.995 -17.253 1.00 25.56 ? 43 ARG G O 1 ATOM 9459 C CB . ARG G 3 38 ? 28.026 -36.908 -16.827 1.00 19.96 ? 43 ARG G CB 1 ATOM 9460 C CG . ARG G 3 38 ? 26.724 -37.156 -17.575 1.00 34.00 ? 43 ARG G CG 1 ATOM 9461 C CD . ARG G 3 38 ? 26.888 -38.254 -18.615 1.00 48.14 ? 43 ARG G CD 1 ATOM 9462 N NE . ARG G 3 38 ? 27.600 -37.779 -19.810 1.00 60.18 ? 43 ARG G NE 1 ATOM 9463 C CZ . ARG G 3 38 ? 27.941 -38.543 -20.847 1.00 74.83 ? 43 ARG G CZ 1 ATOM 9464 N NH1 . ARG G 3 38 ? 27.647 -39.839 -20.853 1.00 64.31 1 43 ARG G NH1 1 ATOM 9465 N NH2 . ARG G 3 38 ? 28.582 -38.017 -21.883 1.00 58.18 ? 43 ARG G NH2 1 ATOM 9466 N N . GLN G 3 39 ? 29.028 -33.668 -17.435 1.00 23.39 ? 44 GLN G N 1 ATOM 9467 C CA . GLN G 3 39 ? 28.878 -32.471 -18.247 1.00 23.96 ? 44 GLN G CA 1 ATOM 9468 C C . GLN G 3 39 ? 29.609 -32.571 -19.584 1.00 32.87 ? 44 GLN G C 1 ATOM 9469 O O . GLN G 3 39 ? 30.834 -32.750 -19.624 1.00 32.25 ? 44 GLN G O 1 ATOM 9470 C CB . GLN G 3 39 ? 29.360 -31.222 -17.476 1.00 24.39 ? 44 GLN G CB 1 ATOM 9471 C CG . GLN G 3 39 ? 29.055 -29.892 -18.188 1.00 27.88 ? 44 GLN G CG 1 ATOM 9472 C CD . GLN G 3 39 ? 29.567 -28.654 -17.485 1.00 40.41 ? 44 GLN G CD 1 ATOM 9473 O OE1 . GLN G 3 39 ? 30.549 -28.681 -16.735 1.00 34.99 ? 44 GLN G OE1 1 ATOM 9474 N NE2 . GLN G 3 39 ? 28.920 -27.523 -17.739 1.00 30.93 ? 44 GLN G NE2 1 ATOM 9475 N N . ASP G 3 40 ? 28.837 -32.405 -20.681 1.00 33.86 ? 45 ASP G N 1 ATOM 9476 C CA . ASP G 3 40 ? 29.362 -32.300 -22.038 1.00 35.84 ? 45 ASP G CA 1 ATOM 9477 C C . ASP G 3 40 ? 29.874 -30.869 -22.163 1.00 42.28 ? 45 ASP G C 1 ATOM 9478 O O . ASP G 3 40 ? 29.237 -29.985 -21.583 1.00 41.73 ? 45 ASP G O 1 ATOM 9479 C CB . ASP G 3 40 ? 28.294 -32.629 -23.103 1.00 39.17 ? 45 ASP G CB 1 ATOM 9480 C CG . ASP G 3 40 ? 27.655 -34.005 -22.994 1.00 55.68 ? 45 ASP G CG 1 ATOM 9481 O OD1 . ASP G 3 40 ? 28.398 -34.999 -22.793 1.00 56.52 ? 45 ASP G OD1 1 ATOM 9482 O OD2 . ASP G 3 40 ? 26.419 -34.096 -23.155 1.00 65.59 -1 45 ASP G OD2 1 ATOM 9483 N N . PRO G 3 41 ? 31.029 -30.603 -22.827 1.00 41.46 ? 46 PRO G N 1 ATOM 9484 C CA . PRO G 3 41 ? 31.557 -29.220 -22.870 1.00 41.84 ? 46 PRO G CA 1 ATOM 9485 C C . PRO G 3 41 ? 30.540 -28.175 -23.359 1.00 46.30 ? 46 PRO G C 1 ATOM 9486 O O . PRO G 3 41 ? 29.947 -28.327 -24.433 1.00 46.28 ? 46 PRO G O 1 ATOM 9487 C CB . PRO G 3 41 ? 32.757 -29.330 -23.818 1.00 43.84 ? 46 PRO G CB 1 ATOM 9488 C CG . PRO G 3 41 ? 33.203 -30.743 -23.679 1.00 48.23 ? 46 PRO G CG 1 ATOM 9489 C CD . PRO G 3 41 ? 31.932 -31.538 -23.531 1.00 43.74 ? 46 PRO G CD 1 ATOM 9490 N N . GLY G 3 42 ? 30.313 -27.158 -22.516 1.00 42.32 ? 47 GLY G N 1 ATOM 9491 C CA . GLY G 3 42 ? 29.389 -26.055 -22.781 1.00 42.43 ? 47 GLY G CA 1 ATOM 9492 C C . GLY G 3 42 ? 27.935 -26.308 -22.414 1.00 44.76 ? 47 GLY G C 1 ATOM 9493 O O . GLY G 3 42 ? 27.165 -25.356 -22.268 1.00 45.13 ? 47 GLY G O 1 ATOM 9494 N N . LYS G 3 43 ? 27.552 -27.593 -22.275 1.00 39.15 ? 48 LYS G N 1 ATOM 9495 C CA . LYS G 3 43 ? 26.202 -28.056 -21.943 1.00 38.44 ? 48 LYS G CA 1 ATOM 9496 C C . LYS G 3 43 ? 25.955 -28.033 -20.423 1.00 38.67 ? 48 LYS G C 1 ATOM 9497 O O . LYS G 3 43 ? 26.884 -27.829 -19.641 1.00 37.97 ? 48 LYS G O 1 ATOM 9498 C CB . LYS G 3 43 ? 26.003 -29.482 -22.506 1.00 41.26 ? 48 LYS G CB 1 ATOM 9499 C CG . LYS G 3 43 ? 25.320 -29.568 -23.882 1.00 56.15 ? 48 LYS G CG 1 ATOM 9500 C CD . LYS G 3 43 ? 25.829 -28.577 -24.949 1.00 66.32 ? 48 LYS G CD 1 ATOM 9501 C CE . LYS G 3 43 ? 27.105 -28.994 -25.630 1.00 73.54 ? 48 LYS G CE 1 ATOM 9502 N NZ . LYS G 3 43 ? 27.831 -27.816 -26.174 1.00 82.57 1 48 LYS G NZ 1 ATOM 9503 N N . GLY G 3 44 ? 24.703 -28.216 -20.022 1.00 32.80 ? 49 GLY G N 1 ATOM 9504 C CA . GLY G 3 44 ? 24.339 -28.236 -18.613 1.00 30.90 ? 49 GLY G CA 1 ATOM 9505 C C . GLY G 3 44 ? 24.715 -29.533 -17.925 1.00 31.16 ? 49 GLY G C 1 ATOM 9506 O O . GLY G 3 44 ? 24.505 -30.605 -18.499 1.00 31.22 ? 49 GLY G O 1 ATOM 9507 N N . PRO G 3 45 ? 25.266 -29.485 -16.686 1.00 24.82 ? 50 PRO G N 1 ATOM 9508 C CA . PRO G 3 45 ? 25.566 -30.742 -15.970 1.00 23.37 ? 50 PRO G CA 1 ATOM 9509 C C . PRO G 3 45 ? 24.317 -31.634 -15.863 1.00 25.66 ? 50 PRO G C 1 ATOM 9510 O O . PRO G 3 45 ? 23.231 -31.153 -15.524 1.00 25.04 ? 50 PRO G O 1 ATOM 9511 C CB . PRO G 3 45 ? 26.034 -30.273 -14.588 1.00 24.50 ? 50 PRO G CB 1 ATOM 9512 C CG . PRO G 3 45 ? 26.411 -28.851 -14.760 1.00 29.30 ? 50 PRO G CG 1 ATOM 9513 C CD . PRO G 3 45 ? 25.571 -28.300 -15.856 1.00 25.89 ? 50 PRO G CD 1 ATOM 9514 N N . GLU G 3 46 ? 24.465 -32.910 -16.246 1.00 21.17 ? 51 GLU G N 1 ATOM 9515 C CA . GLU G 3 46 ? 23.400 -33.913 -16.242 1.00 21.01 ? 51 GLU G CA 1 ATOM 9516 C C . GLU G 3 46 ? 23.527 -34.748 -14.985 1.00 21.82 ? 51 GLU G C 1 ATOM 9517 O O . GLU G 3 46 ? 24.588 -35.329 -14.746 1.00 20.15 ? 51 GLU G O 1 ATOM 9518 C CB . GLU G 3 46 ? 23.478 -34.786 -17.504 1.00 23.31 ? 51 GLU G CB 1 ATOM 9519 C CG . GLU G 3 46 ? 22.297 -35.723 -17.681 1.00 36.77 ? 51 GLU G CG 1 ATOM 9520 C CD . GLU G 3 46 ? 22.550 -36.867 -18.639 1.00 64.83 ? 51 GLU G CD 1 ATOM 9521 O OE1 . GLU G 3 46 ? 22.543 -38.031 -18.180 1.00 64.10 ? 51 GLU G OE1 1 ATOM 9522 O OE2 . GLU G 3 46 ? 22.751 -36.605 -19.848 1.00 62.28 -1 51 GLU G OE2 1 ATOM 9523 N N . PHE G 3 47 ? 22.447 -34.805 -14.185 1.00 17.60 ? 52 PHE G N 1 ATOM 9524 C CA . PHE G 3 47 ? 22.421 -35.515 -12.911 1.00 17.03 ? 52 PHE G CA 1 ATOM 9525 C C . PHE G 3 47 ? 22.557 -37.030 -13.084 1.00 20.72 ? 52 PHE G C 1 ATOM 9526 O O . PHE G 3 47 ? 21.918 -37.610 -13.966 1.00 20.72 ? 52 PHE G O 1 ATOM 9527 C CB . PHE G 3 47 ? 21.144 -35.170 -12.118 1.00 18.98 ? 52 PHE G CB 1 ATOM 9528 C CG . PHE G 3 47 ? 20.937 -36.020 -10.891 1.00 19.83 ? 52 PHE G CG 1 ATOM 9529 C CD1 . PHE G 3 47 ? 21.777 -35.897 -9.792 1.00 21.22 ? 52 PHE G CD1 1 ATOM 9530 C CD2 . PHE G 3 47 ? 19.941 -36.990 -10.860 1.00 21.75 ? 52 PHE G CD2 1 ATOM 9531 C CE1 . PHE G 3 47 ? 21.596 -36.701 -8.667 1.00 22.13 ? 52 PHE G CE1 1 ATOM 9532 C CE2 . PHE G 3 47 ? 19.765 -37.798 -9.737 1.00 24.15 ? 52 PHE G CE2 1 ATOM 9533 C CZ . PHE G 3 47 ? 20.584 -37.644 -8.646 1.00 21.47 ? 52 PHE G CZ 1 ATOM 9534 N N . LEU G 3 48 ? 23.381 -37.657 -12.209 1.00 16.56 ? 53 LEU G N 1 ATOM 9535 C CA . LEU G 3 48 ? 23.629 -39.099 -12.230 1.00 17.05 ? 53 LEU G CA 1 ATOM 9536 C C . LEU G 3 48 ? 23.160 -39.801 -10.940 1.00 22.26 ? 53 LEU G C 1 ATOM 9537 O O . LEU G 3 48 ? 22.324 -40.699 -11.029 1.00 23.32 ? 53 LEU G O 1 ATOM 9538 C CB . LEU G 3 48 ? 25.122 -39.411 -12.481 1.00 16.47 ? 53 LEU G CB 1 ATOM 9539 C CG . LEU G 3 48 ? 25.777 -38.838 -13.749 1.00 19.29 ? 53 LEU G CG 1 ATOM 9540 C CD1 . LEU G 3 48 ? 27.283 -38.855 -13.626 1.00 18.25 ? 53 LEU G CD1 1 ATOM 9541 C CD2 . LEU G 3 48 ? 25.339 -39.598 -14.996 1.00 21.38 ? 53 LEU G CD2 1 ATOM 9542 N N . PHE G 3 49 ? 23.715 -39.430 -9.754 1.00 18.56 ? 54 PHE G N 1 ATOM 9543 C CA . PHE G 3 49 ? 23.391 -40.096 -8.481 1.00 18.88 ? 54 PHE G CA 1 ATOM 9544 C C . PHE G 3 49 ? 23.430 -39.181 -7.271 1.00 23.12 ? 54 PHE G C 1 ATOM 9545 O O . PHE G 3 49 ? 24.191 -38.221 -7.260 1.00 22.76 ? 54 PHE G O 1 ATOM 9546 C CB . PHE G 3 49 ? 24.395 -41.245 -8.199 1.00 21.09 ? 54 PHE G CB 1 ATOM 9547 C CG . PHE G 3 49 ? 24.633 -42.234 -9.311 1.00 23.70 ? 54 PHE G CG 1 ATOM 9548 C CD1 . PHE G 3 49 ? 23.722 -43.255 -9.562 1.00 28.41 ? 54 PHE G CD1 1 ATOM 9549 C CD2 . PHE G 3 49 ? 25.782 -42.164 -10.091 1.00 25.29 ? 54 PHE G CD2 1 ATOM 9550 C CE1 . PHE G 3 49 ? 23.948 -44.178 -10.592 1.00 30.68 ? 54 PHE G CE1 1 ATOM 9551 C CE2 . PHE G 3 49 ? 26.009 -43.089 -11.118 1.00 29.23 ? 54 PHE G CE2 1 ATOM 9552 C CZ . PHE G 3 49 ? 25.090 -44.087 -11.364 1.00 29.10 ? 54 PHE G CZ 1 ATOM 9553 N N . THR G 3 50 ? 22.647 -39.518 -6.225 1.00 20.42 ? 55 THR G N 1 ATOM 9554 C CA . THR G 3 50 ? 22.650 -38.840 -4.930 1.00 20.07 ? 55 THR G CA 1 ATOM 9555 C C . THR G 3 50 ? 22.932 -39.872 -3.857 1.00 24.92 ? 55 THR G C 1 ATOM 9556 O O . THR G 3 50 ? 22.250 -40.889 -3.804 1.00 25.58 ? 55 THR G O 1 ATOM 9557 C CB . THR G 3 50 ? 21.336 -38.083 -4.625 1.00 29.57 ? 55 THR G CB 1 ATOM 9558 O OG1 . THR G 3 50 ? 21.115 -37.082 -5.606 1.00 29.89 ? 55 THR G OG1 1 ATOM 9559 C CG2 . THR G 3 50 ? 21.375 -37.400 -3.271 1.00 26.82 ? 55 THR G CG2 1 ATOM 9560 N N . LEU G 3 51 ? 23.919 -39.600 -2.989 1.00 21.86 ? 56 LEU G N 1 ATOM 9561 C CA . LEU G 3 51 ? 24.283 -40.483 -1.870 1.00 22.69 ? 56 LEU G CA 1 ATOM 9562 C C . LEU G 3 51 ? 24.306 -39.664 -0.587 1.00 26.17 ? 56 LEU G C 1 ATOM 9563 O O . LEU G 3 51 ? 24.888 -38.576 -0.556 1.00 25.73 ? 56 LEU G O 1 ATOM 9564 C CB . LEU G 3 51 ? 25.639 -41.176 -2.118 1.00 23.64 ? 56 LEU G CB 1 ATOM 9565 C CG . LEU G 3 51 ? 25.823 -41.922 -3.456 1.00 28.68 ? 56 LEU G CG 1 ATOM 9566 C CD1 . LEU G 3 51 ? 27.281 -41.980 -3.842 1.00 28.90 ? 56 LEU G CD1 1 ATOM 9567 C CD2 . LEU G 3 51 ? 25.221 -43.310 -3.411 1.00 32.87 ? 56 LEU G CD2 1 ATOM 9568 N N . TYR G 3 52 ? 23.585 -40.120 0.409 1.00 23.08 ? 57 TYR G N 1 ATOM 9569 C CA . TYR G 3 52 ? 23.512 -39.426 1.668 1.00 22.57 ? 57 TYR G CA 1 ATOM 9570 C C . TYR G 3 52 ? 24.355 -40.027 2.756 1.00 29.42 ? 57 TYR G C 1 ATOM 9571 O O . TYR G 3 52 ? 24.756 -39.349 3.644 1.00 29.42 ? 57 TYR G O 1 ATOM 9572 C CB . TYR G 3 52 ? 22.076 -39.335 2.141 1.00 23.00 ? 57 TYR G CB 1 ATOM 9573 C CG . TYR G 3 52 ? 21.091 -38.891 1.117 1.00 23.60 ? 57 TYR G CG 1 ATOM 9574 C CD1 . TYR G 3 52 ? 20.849 -37.558 0.901 1.00 24.26 ? 57 TYR G CD1 1 ATOM 9575 C CD2 . TYR G 3 52 ? 20.376 -39.790 0.396 1.00 24.78 ? 57 TYR G CD2 1 ATOM 9576 C CE1 . TYR G 3 52 ? 19.941 -37.140 -0.015 1.00 24.17 ? 57 TYR G CE1 1 ATOM 9577 C CE2 . TYR G 3 52 ? 19.465 -39.383 -0.520 1.00 25.44 ? 57 TYR G CE2 1 ATOM 9578 C CZ . TYR G 3 52 ? 19.256 -38.064 -0.724 1.00 32.10 ? 57 TYR G CZ 1 ATOM 9579 O OH . TYR G 3 52 ? 18.354 -37.686 -1.644 1.00 32.72 ? 57 TYR G OH 1 ATOM 9580 N N . SER G 3 53 ? 24.630 -41.312 2.660 1.00 28.12 ? 58 SER G N 1 ATOM 9581 C CA . SER G 3 53 ? 25.109 -42.073 3.774 1.00 29.53 ? 58 SER G CA 1 ATOM 9582 C C . SER G 3 53 ? 26.210 -43.046 3.484 1.00 36.02 ? 58 SER G C 1 ATOM 9583 O O . SER G 3 53 ? 26.161 -43.718 2.508 1.00 36.17 ? 58 SER G O 1 ATOM 9584 C CB . SER G 3 53 ? 23.948 -42.843 4.351 1.00 33.98 ? 58 SER G CB 1 ATOM 9585 O OG . SER G 3 53 ? 23.918 -42.672 5.718 1.00 43.57 ? 58 SER G OG 1 ATOM 9586 N N . ALA G 3 54 ? 27.168 -43.150 4.388 1.00 34.18 ? 59 ALA G N 1 ATOM 9587 C CA . ALA G 3 54 ? 28.297 -44.016 4.209 1.00 36.09 ? 59 ALA G CA 1 ATOM 9588 C C . ALA G 3 54 ? 27.887 -45.478 4.157 1.00 43.40 ? 59 ALA G C 1 ATOM 9589 O O . ALA G 3 54 ? 27.084 -45.949 4.939 1.00 43.73 ? 59 ALA G O 1 ATOM 9590 C CB . ALA G 3 54 ? 29.307 -43.767 5.284 1.00 37.56 ? 59 ALA G CB 1 ATOM 9591 N N . GLY G 3 55 ? 28.464 -46.188 3.208 1.00 41.60 ? 63 GLY G N 1 ATOM 9592 C CA . GLY G 3 55 ? 28.052 -47.515 2.832 1.00 42.96 ? 63 GLY G CA 1 ATOM 9593 C C . GLY G 3 55 ? 26.971 -47.537 1.774 1.00 45.89 ? 63 GLY G C 1 ATOM 9594 O O . GLY G 3 55 ? 26.547 -48.577 1.351 1.00 46.58 ? 63 GLY G O 1 ATOM 9595 N N . GLU G 3 56 ? 26.509 -46.376 1.354 1.00 40.31 ? 64 GLU G N 1 ATOM 9596 C CA . GLU G 3 56 ? 25.511 -46.290 0.290 1.00 39.07 ? 64 GLU G CA 1 ATOM 9597 C C . GLU G 3 56 ? 26.142 -46.539 -1.080 1.00 42.43 ? 64 GLU G C 1 ATOM 9598 O O . GLU G 3 56 ? 27.265 -46.167 -1.319 1.00 40.97 ? 64 GLU G O 1 ATOM 9599 C CB . GLU G 3 56 ? 24.825 -44.930 0.316 1.00 38.26 ? 64 GLU G CB 1 ATOM 9600 C CG . GLU G 3 56 ? 23.327 -44.933 0.122 1.00 44.75 ? 64 GLU G CG 1 ATOM 9601 C CD . GLU G 3 56 ? 22.660 -43.616 0.500 1.00 57.17 ? 64 GLU G CD 1 ATOM 9602 O OE1 . GLU G 3 56 ? 22.356 -42.843 -0.394 1.00 40.25 ? 64 GLU G OE1 1 ATOM 9603 O OE2 . GLU G 3 56 ? 22.385 -43.364 1.668 1.00 50.76 -1 64 GLU G OE2 1 ATOM 9604 N N . GLU G 3 57 ? 25.401 -47.179 -1.967 1.00 39.88 ? 65 GLU G N 1 ATOM 9605 C CA . GLU G 3 57 ? 25.847 -47.371 -3.340 1.00 40.04 ? 65 GLU G CA 1 ATOM 9606 C C . GLU G 3 57 ? 24.649 -47.359 -4.283 1.00 42.89 ? 65 GLU G C 1 ATOM 9607 O O . GLU G 3 57 ? 23.540 -47.733 -3.894 1.00 43.58 ? 65 GLU G O 1 ATOM 9608 C CB . GLU G 3 57 ? 26.711 -48.633 -3.521 1.00 43.65 ? 65 GLU G CB 1 ATOM 9609 C CG . GLU G 3 57 ? 26.110 -49.934 -3.011 1.00 60.18 ? 65 GLU G CG 1 ATOM 9610 C CD . GLU G 3 57 ? 26.934 -51.169 -3.324 1.00 91.22 ? 65 GLU G CD 1 ATOM 9611 O OE1 . GLU G 3 57 ? 28.128 -51.207 -2.946 1.00 89.15 ? 65 GLU G OE1 1 ATOM 9612 O OE2 . GLU G 3 57 ? 26.377 -52.110 -3.935 1.00 90.60 -1 65 GLU G OE2 1 ATOM 9613 N N . LYS G 3 58 ? 24.870 -46.851 -5.500 1.00 37.02 ? 66 LYS G N 1 ATOM 9614 C CA . LYS G 3 58 ? 23.869 -46.737 -6.562 1.00 36.08 ? 66 LYS G CA 1 ATOM 9615 C C . LYS G 3 58 ? 24.513 -47.090 -7.896 1.00 40.30 ? 66 LYS G C 1 ATOM 9616 O O . LYS G 3 58 ? 25.686 -46.770 -8.125 1.00 39.10 ? 66 LYS G O 1 ATOM 9617 C CB . LYS G 3 58 ? 23.248 -45.330 -6.592 1.00 35.92 ? 66 LYS G CB 1 ATOM 9618 C CG . LYS G 3 58 ? 22.236 -45.089 -5.476 1.00 41.62 ? 66 LYS G CG 1 ATOM 9619 C CD . LYS G 3 58 ? 21.611 -43.725 -5.558 1.00 43.27 ? 66 LYS G CD 1 ATOM 9620 C CE . LYS G 3 58 ? 20.485 -43.589 -4.567 1.00 42.68 ? 66 LYS G CE 1 ATOM 9621 N NZ . LYS G 3 58 ? 19.916 -42.219 -4.569 1.00 43.37 1 66 LYS G NZ 1 ATOM 9622 N N . GLU G 3 59 ? 23.743 -47.761 -8.730 1.00 37.87 ? 67 GLU G N 1 ATOM 9623 C CA . GLU G 3 59 ? 24.214 -48.175 -10.023 1.00 38.28 ? 67 GLU G CA 1 ATOM 9624 C C . GLU G 3 59 ? 23.276 -47.972 -11.202 1.00 41.64 ? 67 GLU G C 1 ATOM 9625 O O . GLU G 3 59 ? 22.184 -48.423 -11.182 1.00 42.22 ? 67 GLU G O 1 ATOM 9626 C CB . GLU G 3 59 ? 24.536 -49.658 -9.938 1.00 41.86 ? 67 GLU G CB 1 ATOM 9627 C CG . GLU G 3 59 ? 25.912 -50.058 -10.415 1.00 53.36 ? 67 GLU G CG 1 ATOM 9628 C CD . GLU G 3 59 ? 26.044 -51.541 -10.648 1.00 79.42 ? 67 GLU G CD 1 ATOM 9629 O OE1 . GLU G 3 59 ? 25.079 -52.254 -10.433 1.00 80.17 ? 67 GLU G OE1 1 ATOM 9630 O OE2 . GLU G 3 59 ? 27.104 -52.011 -11.054 1.00 73.94 -1 67 GLU G OE2 1 ATOM 9631 N N . LYS G 3 60 ? 23.728 -47.306 -12.240 1.00 36.93 ? 68 LYS G N 1 ATOM 9632 C CA . LYS G 3 60 ? 22.952 -47.189 -13.452 1.00 37.31 ? 68 LYS G CA 1 ATOM 9633 C C . LYS G 3 60 ? 23.863 -47.339 -14.619 1.00 41.91 ? 68 LYS G C 1 ATOM 9634 O O . LYS G 3 60 ? 24.747 -46.553 -14.782 1.00 40.63 ? 68 LYS G O 1 ATOM 9635 C CB . LYS G 3 60 ? 22.198 -45.899 -13.584 1.00 38.37 ? 68 LYS G CB 1 ATOM 9636 C CG . LYS G 3 60 ? 21.219 -46.018 -14.716 1.00 53.59 ? 68 LYS G CG 1 ATOM 9637 C CD . LYS G 3 60 ? 20.605 -44.715 -15.152 1.00 62.09 ? 68 LYS G CD 1 ATOM 9638 C CE . LYS G 3 60 ? 19.381 -44.964 -16.008 1.00 74.98 ? 68 LYS G CE 1 ATOM 9639 N NZ . LYS G 3 60 ? 18.468 -45.992 -15.434 1.00 83.41 1 68 LYS G NZ 1 ATOM 9640 N N . GLU G 3 61 ? 23.618 -48.320 -15.463 1.00 40.28 ? 74 GLU G N 1 ATOM 9641 C CA . GLU G 3 61 ? 24.439 -48.571 -16.637 1.00 40.42 ? 74 GLU G CA 1 ATOM 9642 C C . GLU G 3 61 ? 25.900 -48.895 -16.362 1.00 44.34 ? 74 GLU G C 1 ATOM 9643 O O . GLU G 3 61 ? 26.205 -49.849 -15.688 1.00 45.22 ? 74 GLU G O 1 ATOM 9644 C CB . GLU G 3 61 ? 24.263 -47.504 -17.678 1.00 40.63 ? 74 GLU G CB 1 ATOM 9645 C CG . GLU G 3 61 ? 22.861 -47.494 -18.217 1.00 53.42 ? 74 GLU G CG 1 ATOM 9646 C CD . GLU G 3 61 ? 22.688 -46.562 -19.374 1.00 75.49 ? 74 GLU G CD 1 ATOM 9647 O OE1 . GLU G 3 61 ? 23.226 -46.863 -20.451 1.00 63.38 ? 74 GLU G OE1 1 ATOM 9648 O OE2 . GLU G 3 61 ? 22.016 -45.526 -19.196 1.00 70.06 -1 74 GLU G OE2 1 ATOM 9649 N N . ARG G 3 62 ? 26.806 -48.114 -16.919 1.00 38.85 ? 75 ARG G N 1 ATOM 9650 C CA . ARG G 3 62 ? 28.217 -48.366 -16.725 1.00 37.73 ? 75 ARG G CA 1 ATOM 9651 C C . ARG G 3 62 ? 28.763 -47.631 -15.553 1.00 38.98 ? 75 ARG G C 1 ATOM 9652 O O . ARG G 3 62 ? 29.921 -47.656 -15.307 1.00 38.52 ? 75 ARG G O 1 ATOM 9653 C CB . ARG G 3 62 ? 29.001 -48.027 -17.967 1.00 36.17 ? 75 ARG G CB 1 ATOM 9654 C CG . ARG G 3 62 ? 28.476 -48.708 -19.193 1.00 42.34 ? 75 ARG G CG 1 ATOM 9655 C CD . ARG G 3 62 ? 29.398 -48.489 -20.335 1.00 42.54 ? 75 ARG G CD 1 ATOM 9656 N NE . ARG G 3 62 ? 29.024 -47.359 -21.125 1.00 44.47 ? 75 ARG G NE 1 ATOM 9657 C CZ . ARG G 3 62 ? 27.891 -47.278 -21.781 1.00 57.51 ? 75 ARG G CZ 1 ATOM 9658 N NH1 . ARG G 3 62 ? 27.005 -48.245 -21.723 1.00 42.11 1 75 ARG G NH1 1 ATOM 9659 N NH2 . ARG G 3 62 ? 27.644 -46.229 -22.500 1.00 45.65 ? 75 ARG G NH2 1 ATOM 9660 N N . LEU G 3 63 ? 27.895 -46.970 -14.827 1.00 33.37 ? 76 LEU G N 1 ATOM 9661 C CA . LEU G 3 63 ? 28.313 -46.213 -13.687 1.00 31.21 ? 76 LEU G CA 1 ATOM 9662 C C . LEU G 3 63 ? 27.864 -46.734 -12.357 1.00 33.96 ? 76 LEU G C 1 ATOM 9663 O O . LEU G 3 63 ? 26.824 -47.247 -12.203 1.00 33.99 ? 76 LEU G O 1 ATOM 9664 C CB . LEU G 3 63 ? 27.918 -44.773 -13.869 1.00 29.56 ? 76 LEU G CB 1 ATOM 9665 C CG . LEU G 3 63 ? 28.593 -44.090 -15.036 1.00 33.60 ? 76 LEU G CG 1 ATOM 9666 C CD1 . LEU G 3 63 ? 27.990 -42.729 -15.259 1.00 32.71 ? 76 LEU G CD1 1 ATOM 9667 C CD2 . LEU G 3 63 ? 30.050 -43.936 -14.771 1.00 35.61 ? 76 LEU G CD2 1 ATOM 9668 N N . LYS G 3 64 ? 28.737 -46.634 -11.400 1.00 29.62 ? 77 LYS G N 1 ATOM 9669 C CA . LYS G 3 64 ? 28.431 -47.053 -10.035 1.00 29.58 ? 77 LYS G CA 1 ATOM 9670 C C . LYS G 3 64 ? 29.090 -46.093 -9.059 1.00 32.62 ? 77 LYS G C 1 ATOM 9671 O O . LYS G 3 64 ? 30.307 -45.912 -9.091 1.00 32.23 ? 77 LYS G O 1 ATOM 9672 C CB . LYS G 3 64 ? 28.864 -48.505 -9.769 1.00 33.98 ? 77 LYS G CB 1 ATOM 9673 C CG . LYS G 3 64 ? 28.310 -49.072 -8.463 1.00 47.40 ? 77 LYS G CG 1 ATOM 9674 C CD . LYS G 3 64 ? 28.554 -50.572 -8.313 1.00 58.87 ? 77 LYS G CD 1 ATOM 9675 C CE . LYS G 3 64 ? 29.666 -50.889 -7.341 1.00 68.94 ? 77 LYS G CE 1 ATOM 9676 N NZ . LYS G 3 64 ? 29.421 -52.169 -6.627 1.00 77.91 1 77 LYS G NZ 1 ATOM 9677 N N . ALA G 3 65 ? 28.273 -45.458 -8.214 1.00 29.33 ? 78 ALA G N 1 ATOM 9678 C CA . ALA G 3 65 ? 28.729 -44.517 -7.196 1.00 28.35 ? 78 ALA G CA 1 ATOM 9679 C C . ALA G 3 65 ? 28.668 -45.161 -5.809 1.00 34.46 ? 78 ALA G C 1 ATOM 9680 O O . ALA G 3 65 ? 27.707 -45.867 -5.511 1.00 35.81 ? 78 ALA G O 1 ATOM 9681 C CB . ALA G 3 65 ? 27.886 -43.254 -7.238 1.00 27.34 ? 78 ALA G CB 1 ATOM 9682 N N . THR G 3 66 ? 29.717 -44.963 -4.989 1.00 31.20 ? 79 THR G N 1 ATOM 9683 C CA . THR G 3 66 ? 29.823 -45.482 -3.617 1.00 31.93 ? 79 THR G CA 1 ATOM 9684 C C . THR G 3 66 ? 30.165 -44.328 -2.661 1.00 34.93 ? 79 THR G C 1 ATOM 9685 O O . THR G 3 66 ? 30.659 -43.299 -3.117 1.00 33.72 ? 79 THR G O 1 ATOM 9686 C CB . THR G 3 66 ? 30.851 -46.614 -3.518 1.00 40.88 ? 79 THR G CB 1 ATOM 9687 O OG1 . THR G 3 66 ? 32.143 -46.126 -3.875 1.00 40.87 ? 79 THR G OG1 1 ATOM 9688 C CG2 . THR G 3 66 ? 30.483 -47.823 -4.356 1.00 42.60 ? 79 THR G CG2 1 ATOM 9689 N N . LEU G 3 67 ? 29.902 -44.484 -1.350 1.00 31.29 ? 80 LEU G N 1 ATOM 9690 C CA . LEU G 3 67 ? 30.191 -43.425 -0.386 1.00 30.04 ? 80 LEU G CA 1 ATOM 9691 C C . LEU G 3 67 ? 30.748 -43.962 0.935 1.00 37.80 ? 80 LEU G C 1 ATOM 9692 O O . LEU G 3 67 ? 30.216 -44.928 1.488 1.00 38.81 ? 80 LEU G O 1 ATOM 9693 C CB . LEU G 3 67 ? 28.912 -42.591 -0.118 1.00 28.18 ? 80 LEU G CB 1 ATOM 9694 C CG . LEU G 3 67 ? 29.058 -41.302 0.714 1.00 31.05 ? 80 LEU G CG 1 ATOM 9695 C CD1 . LEU G 3 67 ? 29.766 -40.204 -0.060 1.00 29.72 ? 80 LEU G CD1 1 ATOM 9696 C CD2 . LEU G 3 67 ? 27.710 -40.788 1.147 1.00 32.63 ? 80 LEU G CD2 1 ATOM 9697 N N . THR G 3 68 ? 31.819 -43.311 1.436 1.00 36.33 ? 81 THR G N 1 ATOM 9698 C CA . THR G 3 68 ? 32.426 -43.560 2.752 1.00 38.67 ? 81 THR G CA 1 ATOM 9699 C C . THR G 3 68 ? 32.387 -42.228 3.526 1.00 44.61 ? 81 THR G C 1 ATOM 9700 O O . THR G 3 68 ? 31.793 -41.264 3.035 1.00 42.38 ? 81 THR G O 1 ATOM 9701 C CB . THR G 3 68 ? 33.842 -44.163 2.671 1.00 44.60 ? 81 THR G CB 1 ATOM 9702 O OG1 . THR G 3 68 ? 34.740 -43.227 2.082 1.00 43.51 ? 81 THR G OG1 1 ATOM 9703 C CG2 . THR G 3 68 ? 33.886 -45.508 1.957 1.00 44.31 ? 81 THR G CG2 1 ATOM 9704 N N . LYS G 3 69 ? 33.013 -42.170 4.718 1.00 44.64 ? 82 LYS G N 1 ATOM 9705 C CA . LYS G 3 69 ? 33.057 -40.968 5.563 1.00 44.26 ? 82 LYS G CA 1 ATOM 9706 C C . LYS G 3 69 ? 33.965 -39.873 4.969 1.00 48.29 ? 82 LYS G C 1 ATOM 9707 O O . LYS G 3 69 ? 33.712 -38.682 5.178 1.00 47.39 ? 82 LYS G O 1 ATOM 9708 C CB . LYS G 3 69 ? 33.545 -41.325 6.979 1.00 48.66 ? 82 LYS G CB 1 ATOM 9709 C CG . LYS G 3 69 ? 32.614 -42.259 7.754 1.00 66.06 ? 82 LYS G CG 1 ATOM 9710 C CD . LYS G 3 69 ? 31.690 -41.510 8.717 1.00 75.21 ? 82 LYS G CD 1 ATOM 9711 C CE . LYS G 3 69 ? 30.285 -41.370 8.185 1.00 82.68 ? 82 LYS G CE 1 ATOM 9712 N NZ . LYS G 3 69 ? 29.345 -40.915 9.241 1.00 89.34 1 82 LYS G NZ 1 ATOM 9713 N N . LYS G 3 70 ? 35.010 -40.281 4.237 1.00 44.98 ? 85 LYS G N 1 ATOM 9714 C CA . LYS G 3 70 ? 36.000 -39.375 3.656 1.00 44.43 ? 85 LYS G CA 1 ATOM 9715 C C . LYS G 3 70 ? 35.706 -39.015 2.197 1.00 46.55 ? 85 LYS G C 1 ATOM 9716 O O . LYS G 3 70 ? 35.862 -37.852 1.813 1.00 45.59 ? 85 LYS G O 1 ATOM 9717 C CB . LYS G 3 70 ? 37.409 -40.001 3.739 1.00 49.19 ? 85 LYS G CB 1 ATOM 9718 C CG . LYS G 3 70 ? 37.948 -40.146 5.160 1.00 67.48 ? 85 LYS G CG 1 ATOM 9719 C CD . LYS G 3 70 ? 39.055 -41.192 5.253 1.00 79.89 ? 85 LYS G CD 1 ATOM 9720 C CE . LYS G 3 70 ? 40.443 -40.597 5.209 1.00 90.90 ? 85 LYS G CE 1 ATOM 9721 N NZ . LYS G 3 70 ? 41.469 -41.568 5.675 1.00 100.73 1 85 LYS G NZ 1 ATOM 9722 N N . GLU G 3 71 ? 35.341 -40.013 1.371 1.00 41.47 ? 86 GLU G N 1 ATOM 9723 C CA . GLU G 3 71 ? 35.155 -39.777 -0.054 1.00 38.90 ? 86 GLU G CA 1 ATOM 9724 C C . GLU G 3 71 ? 34.061 -40.624 -0.703 1.00 39.13 ? 86 GLU G C 1 ATOM 9725 O O . GLU G 3 71 ? 33.412 -41.446 -0.059 1.00 39.64 ? 86 GLU G O 1 ATOM 9726 C CB . GLU G 3 71 ? 36.489 -40.027 -0.802 1.00 41.30 ? 86 GLU G CB 1 ATOM 9727 C CG . GLU G 3 71 ? 37.000 -41.457 -0.751 1.00 50.11 ? 86 GLU G CG 1 ATOM 9728 C CD . GLU G 3 71 ? 38.370 -41.611 -0.125 1.00 68.12 ? 86 GLU G CD 1 ATOM 9729 O OE1 . GLU G 3 71 ? 39.320 -40.933 -0.580 1.00 59.94 ? 86 GLU G OE1 1 ATOM 9730 O OE2 . GLU G 3 71 ? 38.499 -42.432 0.809 1.00 67.15 -1 86 GLU G OE2 1 ATOM 9731 N N . SER G 3 72 ? 33.902 -40.405 -2.011 1.00 31.70 ? 87 SER G N 1 ATOM 9732 C CA . SER G 3 72 ? 32.999 -41.089 -2.911 1.00 29.85 ? 87 SER G CA 1 ATOM 9733 C C . SER G 3 72 ? 33.749 -41.512 -4.157 1.00 31.63 ? 87 SER G C 1 ATOM 9734 O O . SER G 3 72 ? 34.562 -40.751 -4.699 1.00 30.33 ? 87 SER G O 1 ATOM 9735 C CB . SER G 3 72 ? 31.830 -40.185 -3.289 1.00 31.53 ? 87 SER G CB 1 ATOM 9736 O OG . SER G 3 72 ? 30.953 -40.783 -4.231 1.00 36.85 ? 87 SER G OG 1 ATOM 9737 N N . PHE G 3 73 ? 33.465 -42.721 -4.623 1.00 27.52 ? 88 PHE G N 1 ATOM 9738 C CA . PHE G 3 73 ? 34.077 -43.213 -5.835 1.00 27.09 ? 88 PHE G CA 1 ATOM 9739 C C . PHE G 3 73 ? 33.048 -43.344 -6.937 1.00 28.09 ? 88 PHE G C 1 ATOM 9740 O O . PHE G 3 73 ? 31.927 -43.790 -6.692 1.00 26.88 ? 88 PHE G O 1 ATOM 9741 C CB . PHE G 3 73 ? 34.787 -44.551 -5.597 1.00 31.03 ? 88 PHE G CB 1 ATOM 9742 C CG . PHE G 3 73 ? 36.057 -44.417 -4.792 1.00 34.14 ? 88 PHE G CG 1 ATOM 9743 C CD1 . PHE G 3 73 ? 37.243 -44.002 -5.394 1.00 37.48 ? 88 PHE G CD1 1 ATOM 9744 C CD2 . PHE G 3 73 ? 36.073 -44.709 -3.432 1.00 37.23 ? 88 PHE G CD2 1 ATOM 9745 C CE1 . PHE G 3 73 ? 38.418 -43.875 -4.645 1.00 39.78 ? 88 PHE G CE1 1 ATOM 9746 C CE2 . PHE G 3 73 ? 37.251 -44.592 -2.688 1.00 41.20 ? 88 PHE G CE2 1 ATOM 9747 C CZ . PHE G 3 73 ? 38.412 -44.167 -3.297 1.00 39.88 ? 88 PHE G CZ 1 ATOM 9748 N N . LEU G 3 74 ? 33.432 -42.948 -8.158 1.00 22.93 ? 89 LEU G N 1 ATOM 9749 C CA . LEU G 3 74 ? 32.593 -43.143 -9.329 1.00 21.85 ? 89 LEU G CA 1 ATOM 9750 C C . LEU G 3 74 ? 33.302 -44.145 -10.220 1.00 27.41 ? 89 LEU G C 1 ATOM 9751 O O . LEU G 3 74 ? 34.273 -43.811 -10.905 1.00 27.22 ? 89 LEU G O 1 ATOM 9752 C CB . LEU G 3 74 ? 32.212 -41.853 -10.075 1.00 19.80 ? 89 LEU G CB 1 ATOM 9753 C CG . LEU G 3 74 ? 31.112 -42.039 -11.124 1.00 23.46 ? 89 LEU G CG 1 ATOM 9754 C CD1 . LEU G 3 74 ? 29.748 -42.252 -10.477 1.00 23.33 ? 89 LEU G CD1 1 ATOM 9755 C CD2 . LEU G 3 74 ? 31.044 -40.863 -12.055 1.00 25.48 ? 89 LEU G CD2 1 ATOM 9756 N N . HIS G 3 75 ? 32.848 -45.398 -10.133 1.00 25.81 ? 90 HIS G N 1 ATOM 9757 C CA . HIS G 3 75 ? 33.359 -46.523 -10.893 1.00 27.79 ? 90 HIS G CA 1 ATOM 9758 C C . HIS G 3 75 ? 32.693 -46.558 -12.251 1.00 30.21 ? 90 HIS G C 1 ATOM 9759 O O . HIS G 3 75 ? 31.464 -46.492 -12.349 1.00 28.23 ? 90 HIS G O 1 ATOM 9760 C CB . HIS G 3 75 ? 33.121 -47.843 -10.144 1.00 31.21 ? 90 HIS G CB 1 ATOM 9761 C CG . HIS G 3 75 ? 33.642 -47.854 -8.740 1.00 36.02 ? 90 HIS G CG 1 ATOM 9762 N ND1 . HIS G 3 75 ? 34.999 -47.964 -8.472 1.00 39.21 ? 90 HIS G ND1 1 ATOM 9763 C CD2 . HIS G 3 75 ? 32.968 -47.787 -7.568 1.00 38.43 ? 90 HIS G CD2 1 ATOM 9764 C CE1 . HIS G 3 75 ? 35.106 -47.967 -7.152 1.00 39.60 ? 90 HIS G CE1 1 ATOM 9765 N NE2 . HIS G 3 75 ? 33.911 -47.864 -6.564 1.00 39.41 ? 90 HIS G NE2 1 ATOM 9766 N N . ILE G 3 76 ? 33.512 -46.643 -13.301 1.00 28.15 ? 91 ILE G N 1 ATOM 9767 C CA . ILE G 3 76 ? 33.054 -46.720 -14.680 1.00 28.02 ? 91 ILE G CA 1 ATOM 9768 C C . ILE G 3 76 ? 33.640 -48.003 -15.308 1.00 33.57 ? 91 ILE G C 1 ATOM 9769 O O . ILE G 3 76 ? 34.842 -48.098 -15.559 1.00 33.46 ? 91 ILE G O 1 ATOM 9770 C CB . ILE G 3 76 ? 33.341 -45.417 -15.479 1.00 29.71 ? 91 ILE G CB 1 ATOM 9771 C CG1 . ILE G 3 76 ? 33.006 -45.589 -16.987 1.00 30.26 ? 91 ILE G CG1 1 ATOM 9772 C CG2 . ILE G 3 76 ? 34.761 -44.879 -15.240 1.00 30.43 ? 91 ILE G CG2 1 ATOM 9773 C CD1 . ILE G 3 76 ? 32.602 -44.284 -17.730 1.00 32.23 ? 91 ILE G CD1 1 ATOM 9774 N N . THR G 3 77 ? 32.770 -49.004 -15.505 1.00 32.21 ? 92 THR G N 1 ATOM 9775 C CA . THR G 3 77 ? 33.149 -50.300 -16.062 1.00 34.93 ? 92 THR G CA 1 ATOM 9776 C C . THR G 3 77 ? 32.921 -50.326 -17.584 1.00 38.91 ? 92 THR G C 1 ATOM 9777 O O . THR G 3 77 ? 31.854 -49.927 -18.063 1.00 37.27 ? 92 THR G O 1 ATOM 9778 C CB . THR G 3 77 ? 32.416 -51.443 -15.341 1.00 49.10 ? 92 THR G CB 1 ATOM 9779 O OG1 . THR G 3 77 ? 31.029 -51.118 -15.237 1.00 52.67 ? 92 THR G OG1 1 ATOM 9780 C CG2 . THR G 3 77 ? 32.996 -51.727 -13.950 1.00 46.50 ? 92 THR G CG2 1 ATOM 9781 N N . ALA G 3 78 ? 33.951 -50.803 -18.329 1.00 36.63 ? 93 ALA G N 1 ATOM 9782 C CA . ALA G 3 78 ? 34.008 -50.939 -19.793 1.00 36.66 ? 93 ALA G CA 1 ATOM 9783 C C . ALA G 3 78 ? 33.453 -49.682 -20.513 1.00 38.92 ? 93 ALA G C 1 ATOM 9784 O O . ALA G 3 78 ? 32.427 -49.768 -21.196 1.00 38.34 ? 93 ALA G O 1 ATOM 9785 C CB . ALA G 3 78 ? 33.261 -52.194 -20.237 1.00 39.53 ? 93 ALA G CB 1 ATOM 9786 N N . PRO G 3 79 ? 34.109 -48.502 -20.352 1.00 34.43 ? 94 PRO G N 1 ATOM 9787 C CA . PRO G 3 79 ? 33.582 -47.277 -20.973 1.00 32.82 ? 94 PRO G CA 1 ATOM 9788 C C . PRO G 3 79 ? 33.621 -47.261 -22.492 1.00 38.54 ? 94 PRO G C 1 ATOM 9789 O O . PRO G 3 79 ? 34.492 -47.868 -23.115 1.00 38.85 ? 94 PRO G O 1 ATOM 9790 C CB . PRO G 3 79 ? 34.501 -46.183 -20.426 1.00 33.07 ? 94 PRO G CB 1 ATOM 9791 C CG . PRO G 3 79 ? 35.759 -46.885 -20.083 1.00 38.36 ? 94 PRO G CG 1 ATOM 9792 C CD . PRO G 3 79 ? 35.316 -48.206 -19.554 1.00 35.67 ? 94 PRO G CD 1 ATOM 9793 N N . LYS G 3 80 ? 32.677 -46.511 -23.071 1.00 35.30 ? 95 LYS G N 1 ATOM 9794 C CA . LYS G 3 80 ? 32.535 -46.284 -24.506 1.00 35.51 ? 95 LYS G CA 1 ATOM 9795 C C . LYS G 3 80 ? 32.961 -44.828 -24.824 1.00 38.93 ? 95 LYS G C 1 ATOM 9796 O O . LYS G 3 80 ? 33.018 -44.021 -23.891 1.00 37.55 ? 95 LYS G O 1 ATOM 9797 C CB . LYS G 3 80 ? 31.082 -46.555 -24.932 1.00 38.34 ? 95 LYS G CB 1 ATOM 9798 C CG . LYS G 3 80 ? 30.715 -48.030 -24.960 1.00 49.22 ? 95 LYS G CG 1 ATOM 9799 C CD . LYS G 3 80 ? 29.223 -48.220 -25.204 1.00 58.34 ? 95 LYS G CD 1 ATOM 9800 C CE . LYS G 3 80 ? 28.873 -49.635 -25.592 1.00 72.14 ? 95 LYS G CE 1 ATOM 9801 N NZ . LYS G 3 80 ? 29.020 -50.583 -24.455 1.00 84.04 1 95 LYS G NZ 1 ATOM 9802 N N . PRO G 3 81 ? 33.267 -44.441 -26.092 1.00 36.01 ? 96 PRO G N 1 ATOM 9803 C CA . PRO G 3 81 ? 33.667 -43.039 -26.351 1.00 34.57 ? 96 PRO G CA 1 ATOM 9804 C C . PRO G 3 81 ? 32.604 -41.997 -25.968 1.00 37.53 ? 96 PRO G C 1 ATOM 9805 O O . PRO G 3 81 ? 32.970 -40.854 -25.698 1.00 36.37 ? 96 PRO G O 1 ATOM 9806 C CB . PRO G 3 81 ? 33.937 -43.009 -27.860 1.00 36.62 ? 96 PRO G CB 1 ATOM 9807 C CG . PRO G 3 81 ? 34.184 -44.433 -28.237 1.00 42.59 ? 96 PRO G CG 1 ATOM 9808 C CD . PRO G 3 81 ? 33.296 -45.239 -27.336 1.00 39.00 ? 96 PRO G CD 1 ATOM 9809 N N . GLU G 3 82 ? 31.310 -42.399 -25.908 1.00 34.28 ? 97 GLU G N 1 ATOM 9810 C CA . GLU G 3 82 ? 30.154 -41.563 -25.536 1.00 33.28 ? 97 GLU G CA 1 ATOM 9811 C C . GLU G 3 82 ? 30.203 -41.141 -24.050 1.00 35.54 ? 97 GLU G C 1 ATOM 9812 O O . GLU G 3 82 ? 29.479 -40.225 -23.636 1.00 34.87 ? 97 GLU G O 1 ATOM 9813 C CB . GLU G 3 82 ? 28.829 -42.310 -25.799 1.00 36.07 ? 97 GLU G CB 1 ATOM 9814 C CG . GLU G 3 82 ? 28.683 -42.918 -27.183 1.00 49.18 ? 97 GLU G CG 1 ATOM 9815 C CD . GLU G 3 82 ? 29.003 -44.400 -27.236 1.00 71.68 ? 97 GLU G CD 1 ATOM 9816 O OE1 . GLU G 3 82 ? 30.007 -44.765 -27.889 1.00 54.48 ? 97 GLU G OE1 1 ATOM 9817 O OE2 . GLU G 3 82 ? 28.255 -45.195 -26.621 1.00 71.17 -1 97 GLU G OE2 1 ATOM 9818 N N . ASP G 3 83 ? 31.037 -41.838 -23.253 1.00 30.91 ? 98 ASP G N 1 ATOM 9819 C CA . ASP G 3 83 ? 31.217 -41.605 -21.824 1.00 29.25 ? 98 ASP G CA 1 ATOM 9820 C C . ASP G 3 83 ? 32.229 -40.484 -21.551 1.00 31.27 ? 98 ASP G C 1 ATOM 9821 O O . ASP G 3 83 ? 32.403 -40.107 -20.391 1.00 30.34 ? 98 ASP G O 1 ATOM 9822 C CB . ASP G 3 83 ? 31.623 -42.908 -21.111 1.00 31.81 ? 98 ASP G CB 1 ATOM 9823 C CG . ASP G 3 83 ? 30.547 -43.986 -21.125 1.00 40.35 ? 98 ASP G CG 1 ATOM 9824 O OD1 . ASP G 3 83 ? 29.358 -43.650 -20.892 1.00 41.21 ? 98 ASP G OD1 1 ATOM 9825 O OD2 . ASP G 3 83 ? 30.898 -45.171 -21.311 1.00 45.14 -1 98 ASP G OD2 1 ATOM 9826 N N . SER G 3 84 ? 32.852 -39.919 -22.609 1.00 26.86 ? 99 SER G N 1 ATOM 9827 C CA . SER G 3 84 ? 33.800 -38.805 -22.488 1.00 25.77 ? 99 SER G CA 1 ATOM 9828 C C . SER G 3 84 ? 33.046 -37.526 -22.117 1.00 28.68 ? 99 SER G C 1 ATOM 9829 O O . SER G 3 84 ? 32.143 -37.104 -22.849 1.00 28.95 ? 99 SER G O 1 ATOM 9830 C CB . SER G 3 84 ? 34.589 -38.607 -23.778 1.00 29.27 ? 99 SER G CB 1 ATOM 9831 O OG . SER G 3 84 ? 35.237 -39.801 -24.182 1.00 38.99 ? 99 SER G OG 1 ATOM 9832 N N . ALA G 3 85 ? 33.388 -36.947 -20.952 1.00 23.33 ? 100 ALA G N 1 ATOM 9833 C CA . ALA G 3 85 ? 32.760 -35.755 -20.374 1.00 21.84 ? 100 ALA G CA 1 ATOM 9834 C C . ALA G 3 85 ? 33.517 -35.298 -19.142 1.00 24.95 ? 100 ALA G C 1 ATOM 9835 O O . ALA G 3 85 ? 34.419 -36.002 -18.677 1.00 24.11 ? 100 ALA G O 1 ATOM 9836 C CB . ALA G 3 85 ? 31.309 -36.064 -19.983 1.00 22.70 ? 100 ALA G CB 1 ATOM 9837 N N . THR G 3 86 ? 33.121 -34.127 -18.591 1.00 21.03 ? 101 THR G N 1 ATOM 9838 C CA . THR G 3 86 ? 33.656 -33.617 -17.334 1.00 20.43 ? 101 THR G CA 1 ATOM 9839 C C . THR G 3 86 ? 32.708 -34.132 -16.249 1.00 24.04 ? 101 THR G C 1 ATOM 9840 O O . THR G 3 86 ? 31.529 -33.785 -16.231 1.00 23.26 ? 101 THR G O 1 ATOM 9841 C CB . THR G 3 86 ? 33.819 -32.088 -17.352 1.00 29.73 ? 101 THR G CB 1 ATOM 9842 O OG1 . THR G 3 86 ? 34.655 -31.708 -18.449 1.00 31.13 ? 101 THR G OG1 1 ATOM 9843 C CG2 . THR G 3 86 ? 34.388 -31.537 -16.023 1.00 27.22 ? 101 THR G CG2 1 ATOM 9844 N N . TYR G 3 87 ? 33.218 -34.994 -15.383 1.00 21.20 ? 102 TYR G N 1 ATOM 9845 C CA . TYR G 3 87 ? 32.434 -35.597 -14.321 1.00 21.25 ? 102 TYR G CA 1 ATOM 9846 C C . TYR G 3 87 ? 32.570 -34.754 -13.067 1.00 24.32 ? 102 TYR G C 1 ATOM 9847 O O . TYR G 3 87 ? 33.669 -34.587 -12.537 1.00 24.24 ? 102 TYR G O 1 ATOM 9848 C CB . TYR G 3 87 ? 32.861 -37.057 -14.114 1.00 23.35 ? 102 TYR G CB 1 ATOM 9849 C CG . TYR G 3 87 ? 32.334 -37.955 -15.212 1.00 25.98 ? 102 TYR G CG 1 ATOM 9850 C CD1 . TYR G 3 87 ? 33.014 -38.086 -16.420 1.00 28.39 ? 102 TYR G CD1 1 ATOM 9851 C CD2 . TYR G 3 87 ? 31.133 -38.640 -15.062 1.00 27.16 ? 102 TYR G CD2 1 ATOM 9852 C CE1 . TYR G 3 87 ? 32.512 -38.881 -17.449 1.00 29.91 ? 102 TYR G CE1 1 ATOM 9853 C CE2 . TYR G 3 87 ? 30.627 -39.447 -16.079 1.00 28.60 ? 102 TYR G CE2 1 ATOM 9854 C CZ . TYR G 3 87 ? 31.315 -39.557 -17.274 1.00 36.27 ? 102 TYR G CZ 1 ATOM 9855 O OH . TYR G 3 87 ? 30.810 -40.355 -18.269 1.00 38.89 ? 102 TYR G OH 1 ATOM 9856 N N . LEU G 3 88 ? 31.447 -34.183 -12.626 1.00 19.85 ? 103 LEU G N 1 ATOM 9857 C CA . LEU G 3 88 ? 31.434 -33.273 -11.500 1.00 19.22 ? 103 LEU G CA 1 ATOM 9858 C C . LEU G 3 88 ? 30.813 -33.874 -10.255 1.00 25.08 ? 103 LEU G C 1 ATOM 9859 O O . LEU G 3 88 ? 29.747 -34.482 -10.290 1.00 24.69 ? 103 LEU G O 1 ATOM 9860 C CB . LEU G 3 88 ? 30.701 -31.978 -11.864 1.00 18.34 ? 103 LEU G CB 1 ATOM 9861 C CG . LEU G 3 88 ? 31.316 -31.128 -12.972 1.00 22.62 ? 103 LEU G CG 1 ATOM 9862 C CD1 . LEU G 3 88 ? 30.265 -30.221 -13.593 1.00 22.73 ? 103 LEU G CD1 1 ATOM 9863 C CD2 . LEU G 3 88 ? 32.489 -30.309 -12.453 1.00 24.25 ? 103 LEU G CD2 1 ATOM 9864 N N . CYS G 3 89 ? 31.500 -33.667 -9.147 1.00 23.81 ? 104 CYS G N 1 ATOM 9865 C CA . CYS G 3 89 ? 31.094 -34.071 -7.822 1.00 24.53 ? 104 CYS G CA 1 ATOM 9866 C C . CYS G 3 89 ? 30.757 -32.807 -7.044 1.00 27.43 ? 104 CYS G C 1 ATOM 9867 O O . CYS G 3 89 ? 31.526 -31.841 -7.095 1.00 27.74 ? 104 CYS G O 1 ATOM 9868 C CB . CYS G 3 89 ? 32.202 -34.871 -7.149 1.00 26.56 ? 104 CYS G CB 1 ATOM 9869 S SG . CYS G 3 89 ? 31.765 -35.487 -5.513 1.00 31.43 ? 104 CYS G SG 1 ATOM 9870 N N . ALA G 3 90 ? 29.591 -32.796 -6.368 1.00 22.19 ? 105 ALA G N 1 ATOM 9871 C CA . ALA G 3 90 ? 29.095 -31.672 -5.560 1.00 21.15 ? 105 ALA G CA 1 ATOM 9872 C C . ALA G 3 90 ? 28.627 -32.147 -4.186 1.00 24.04 ? 105 ALA G C 1 ATOM 9873 O O . ALA G 3 90 ? 28.176 -33.287 -4.049 1.00 24.21 ? 105 ALA G O 1 ATOM 9874 C CB . ALA G 3 90 ? 27.953 -30.966 -6.277 1.00 21.39 ? 105 ALA G CB 1 ATOM 9875 N N . VAL G 3 91 ? 28.740 -31.281 -3.169 1.00 19.46 ? 106 VAL G N 1 ATOM 9876 C CA . VAL G 3 91 ? 28.311 -31.625 -1.811 1.00 19.11 ? 106 VAL G CA 1 ATOM 9877 C C . VAL G 3 91 ? 27.379 -30.546 -1.208 1.00 23.44 ? 106 VAL G C 1 ATOM 9878 O O . VAL G 3 91 ? 27.552 -29.345 -1.444 1.00 23.03 ? 106 VAL G O 1 ATOM 9879 C CB . VAL G 3 91 ? 29.496 -31.932 -0.836 1.00 22.94 ? 106 VAL G CB 1 ATOM 9880 C CG1 . VAL G 3 91 ? 30.193 -33.248 -1.188 1.00 23.11 ? 106 VAL G CG1 1 ATOM 9881 C CG2 . VAL G 3 91 ? 30.497 -30.777 -0.759 1.00 22.84 ? 106 VAL G CG2 1 ATOM 9882 N N . ALA G 3 92 ? 26.387 -31.000 -0.475 1.00 20.09 ? 107 ALA G N 1 ATOM 9883 C CA . ALA G 3 92 ? 25.576 -30.176 0.385 1.00 19.80 ? 107 ALA G CA 1 ATOM 9884 C C . ALA G 3 92 ? 26.030 -30.387 1.821 1.00 22.36 ? 107 ALA G C 1 ATOM 9885 O O . ALA G 3 92 ? 26.203 -31.469 2.225 1.00 21.73 ? 107 ALA G O 1 ATOM 9886 C CB . ALA G 3 92 ? 24.099 -30.500 0.222 1.00 20.53 ? 107 ALA G CB 1 ATOM 9887 N N . LEU G 3 93 ? 26.248 -29.326 2.548 1.00 17.94 ? 108 LEU G N 1 ATOM 9888 C CA . LEU G 3 93 ? 26.875 -29.409 3.844 1.00 17.25 ? 108 LEU G CA 1 ATOM 9889 C C . LEU G 3 93 ? 26.242 -28.614 4.954 1.00 21.84 ? 108 LEU G C 1 ATOM 9890 O O . LEU G 3 93 ? 25.849 -27.514 4.763 1.00 21.52 ? 108 LEU G O 1 ATOM 9891 C CB . LEU G 3 93 ? 28.331 -28.983 3.736 1.00 17.54 ? 108 LEU G CB 1 ATOM 9892 C CG . LEU G 3 93 ? 29.292 -29.706 2.824 1.00 21.10 ? 108 LEU G CG 1 ATOM 9893 C CD1 . LEU G 3 93 ? 30.529 -28.889 2.624 1.00 21.46 ? 108 LEU G CD1 1 ATOM 9894 C CD2 . LEU G 3 93 ? 29.623 -31.039 3.404 1.00 22.99 ? 108 LEU G CD2 1 ATOM 9895 N N . ASN G 3 94 ? 26.253 -29.179 6.141 1.00 19.18 ? 109 ASN G N 1 ATOM 9896 C CA . ASN G 3 94 ? 25.829 -28.494 7.329 1.00 19.20 ? 109 ASN G CA 1 ATOM 9897 C C . ASN G 3 94 ? 26.550 -27.183 7.630 1.00 25.59 ? 109 ASN G C 1 ATOM 9898 O O . ASN G 3 94 ? 25.933 -26.256 8.030 1.00 25.91 ? 109 ASN G O 1 ATOM 9899 C CB . ASN G 3 94 ? 25.898 -29.429 8.522 1.00 19.67 ? 109 ASN G CB 1 ATOM 9900 C CG . ASN G 3 94 ? 24.881 -30.536 8.465 1.00 35.47 ? 109 ASN G CG 1 ATOM 9901 O OD1 . ASN G 3 94 ? 23.854 -30.411 7.848 1.00 29.62 ? 109 ASN G OD1 1 ATOM 9902 N ND2 . ASN G 3 94 ? 25.168 -31.604 9.107 1.00 25.02 ? 109 ASN G ND2 1 ATOM 9903 N N . ASN G 3 95 ? 27.849 -27.135 7.383 1.00 23.84 ? 110 ASN G N 1 ATOM 9904 C CA . ASN G 3 95 ? 28.730 -25.975 7.591 1.00 25.32 ? 110 ASN G CA 1 ATOM 9905 C C . ASN G 3 95 ? 28.463 -24.849 6.569 1.00 28.39 ? 110 ASN G C 1 ATOM 9906 O O . ASN G 3 95 ? 28.878 -23.703 6.783 1.00 29.80 ? 110 ASN G O 1 ATOM 9907 C CB . ASN G 3 95 ? 30.204 -26.399 7.493 1.00 30.44 ? 110 ASN G CB 1 ATOM 9908 C CG . ASN G 3 95 ? 30.744 -27.061 8.730 1.00 68.61 ? 110 ASN G CG 1 ATOM 9909 O OD1 . ASN G 3 95 ? 30.431 -28.217 9.033 1.00 66.68 ? 110 ASN G OD1 1 ATOM 9910 N ND2 . ASN G 3 95 ? 31.612 -26.358 9.444 1.00 64.65 ? 110 ASN G ND2 1 ATOM 9911 N N . ASN G 3 96 ? 27.815 -25.186 5.446 1.00 22.38 ? 111 ASN G N 1 ATOM 9912 C CA . ASN G 3 96 ? 27.477 -24.230 4.388 1.00 21.01 ? 111 ASN G CA 1 ATOM 9913 C C . ASN G 3 96 ? 26.312 -23.340 4.851 1.00 22.16 ? 111 ASN G C 1 ATOM 9914 O O . ASN G 3 96 ? 25.551 -23.747 5.733 1.00 20.13 ? 111 ASN G O 1 ATOM 9915 C CB . ASN G 3 96 ? 27.135 -24.979 3.095 1.00 17.50 ? 111 ASN G CB 1 ATOM 9916 C CG . ASN G 3 96 ? 28.304 -25.437 2.240 1.00 32.27 ? 111 ASN G CG 1 ATOM 9917 O OD1 . ASN G 3 96 ? 29.479 -25.194 2.528 1.00 27.53 ? 111 ASN G OD1 1 ATOM 9918 N ND2 . ASN G 3 96 ? 27.994 -26.101 1.135 1.00 20.99 ? 111 ASN G ND2 1 ATOM 9919 N N . ALA G 3 97 ? 26.208 -22.106 4.300 1.00 18.48 ? 112 ALA G N 1 ATOM 9920 C CA . ALA G 3 97 ? 25.156 -21.136 4.641 1.00 17.85 ? 112 ALA G CA 1 ATOM 9921 C C . ALA G 3 97 ? 23.847 -21.409 3.846 1.00 20.37 ? 112 ALA G C 1 ATOM 9922 O O . ALA G 3 97 ? 23.344 -20.556 3.104 1.00 20.25 ? 112 ALA G O 1 ATOM 9923 C CB . ALA G 3 97 ? 25.654 -19.720 4.404 1.00 19.57 ? 112 ALA G CB 1 ATOM 9924 N N . GLY G 3 98 ? 23.322 -22.620 4.004 1.00 15.08 ? 113 GLY G N 1 ATOM 9925 C CA . GLY G 3 98 ? 22.120 -23.043 3.308 1.00 14.04 ? 113 GLY G CA 1 ATOM 9926 C C . GLY G 3 98 ? 22.303 -24.258 2.426 1.00 18.08 ? 113 GLY G C 1 ATOM 9927 O O . GLY G 3 98 ? 23.273 -25.014 2.568 1.00 16.82 ? 113 GLY G O 1 ATOM 9928 N N . ASN G 3 99 ? 21.369 -24.431 1.485 1.00 15.31 ? 114 ASN G N 1 ATOM 9929 C CA . ASN G 3 99 ? 21.263 -25.620 0.645 1.00 14.23 ? 114 ASN G CA 1 ATOM 9930 C C . ASN G 3 99 ? 22.009 -25.539 -0.705 1.00 19.27 ? 114 ASN G C 1 ATOM 9931 O O . ASN G 3 99 ? 21.794 -26.389 -1.574 1.00 19.17 ? 114 ASN G O 1 ATOM 9932 C CB . ASN G 3 99 ? 19.782 -25.932 0.444 1.00 10.74 ? 114 ASN G CB 1 ATOM 9933 C CG . ASN G 3 99 ? 19.119 -26.332 1.751 1.00 23.08 ? 114 ASN G CG 1 ATOM 9934 O OD1 . ASN G 3 99 ? 18.372 -25.573 2.366 1.00 14.38 ? 114 ASN G OD1 1 ATOM 9935 N ND2 . ASN G 3 99 ? 19.435 -27.507 2.248 1.00 8.81 ? 114 ASN G ND2 1 ATOM 9936 N N . MET G 3 100 ? 22.960 -24.609 -0.844 1.00 15.97 ? 115 MET G N 1 ATOM 9937 C CA . MET G 3 100 ? 23.762 -24.519 -2.067 1.00 15.64 ? 115 MET G CA 1 ATOM 9938 C C . MET G 3 100 ? 24.692 -25.726 -2.238 1.00 19.80 ? 115 MET G C 1 ATOM 9939 O O . MET G 3 100 ? 25.035 -26.403 -1.261 1.00 19.67 ? 115 MET G O 1 ATOM 9940 C CB . MET G 3 100 ? 24.584 -23.226 -2.103 1.00 18.51 ? 115 MET G CB 1 ATOM 9941 C CG . MET G 3 100 ? 25.766 -23.165 -1.152 1.00 21.89 ? 115 MET G CG 1 ATOM 9942 S SD . MET G 3 100 ? 25.417 -22.057 0.217 1.00 26.99 ? 115 MET G SD 1 ATOM 9943 C CE . MET G 3 100 ? 25.318 -23.095 1.302 1.00 23.26 ? 115 MET G CE 1 ATOM 9944 N N . LEU G 3 101 ? 25.107 -25.981 -3.479 1.00 16.42 ? 116 LEU G N 1 ATOM 9945 C CA . LEU G 3 101 ? 26.062 -27.044 -3.747 1.00 15.78 ? 116 LEU G CA 1 ATOM 9946 C C . LEU G 3 101 ? 27.438 -26.454 -3.879 1.00 20.93 ? 116 LEU G C 1 ATOM 9947 O O . LEU G 3 101 ? 27.592 -25.350 -4.412 1.00 21.12 ? 116 LEU G O 1 ATOM 9948 C CB . LEU G 3 101 ? 25.709 -27.838 -5.018 1.00 15.24 ? 116 LEU G CB 1 ATOM 9949 C CG . LEU G 3 101 ? 24.383 -28.604 -5.001 1.00 19.30 ? 116 LEU G CG 1 ATOM 9950 C CD1 . LEU G 3 101 ? 24.096 -29.214 -6.353 1.00 19.01 ? 116 LEU G CD1 1 ATOM 9951 C CD2 . LEU G 3 101 ? 24.371 -29.662 -3.914 1.00 20.51 ? 116 LEU G CD2 1 ATOM 9952 N N . THR G 3 102 ? 28.438 -27.178 -3.359 1.00 17.90 ? 117 THR G N 1 ATOM 9953 C CA . THR G 3 102 ? 29.848 -26.834 -3.506 1.00 17.95 ? 117 THR G CA 1 ATOM 9954 C C . THR G 3 102 ? 30.409 -27.894 -4.437 1.00 21.90 ? 117 THR G C 1 ATOM 9955 O O . THR G 3 102 ? 30.412 -29.082 -4.095 1.00 21.68 ? 117 THR G O 1 ATOM 9956 C CB . THR G 3 102 ? 30.578 -26.720 -2.156 1.00 24.09 ? 117 THR G CB 1 ATOM 9957 O OG1 . THR G 3 102 ? 29.839 -25.867 -1.290 1.00 24.62 ? 117 THR G OG1 1 ATOM 9958 C CG2 . THR G 3 102 ? 31.993 -26.185 -2.313 1.00 21.38 ? 117 THR G CG2 1 ATOM 9959 N N . PHE G 3 103 ? 30.809 -27.477 -5.643 1.00 17.97 ? 118 PHE G N 1 ATOM 9960 C CA . PHE G 3 103 ? 31.342 -28.392 -6.644 1.00 17.09 ? 118 PHE G CA 1 ATOM 9961 C C . PHE G 3 103 ? 32.846 -28.552 -6.506 1.00 24.53 ? 118 PHE G C 1 ATOM 9962 O O . PHE G 3 103 ? 33.547 -27.631 -6.078 1.00 25.71 ? 118 PHE G O 1 ATOM 9963 C CB . PHE G 3 103 ? 30.999 -27.897 -8.060 1.00 18.09 ? 118 PHE G CB 1 ATOM 9964 C CG . PHE G 3 103 ? 29.585 -28.198 -8.498 1.00 18.61 ? 118 PHE G CG 1 ATOM 9965 C CD1 . PHE G 3 103 ? 28.543 -27.331 -8.191 1.00 20.74 ? 118 PHE G CD1 1 ATOM 9966 C CD2 . PHE G 3 103 ? 29.293 -29.351 -9.220 1.00 20.01 ? 118 PHE G CD2 1 ATOM 9967 C CE1 . PHE G 3 103 ? 27.233 -27.614 -8.598 1.00 21.34 ? 118 PHE G CE1 1 ATOM 9968 C CE2 . PHE G 3 103 ? 27.982 -29.640 -9.611 1.00 22.43 ? 118 PHE G CE2 1 ATOM 9969 C CZ . PHE G 3 103 ? 26.960 -28.769 -9.298 1.00 20.33 ? 118 PHE G CZ 1 ATOM 9970 N N . GLY G 3 104 ? 33.327 -29.735 -6.874 1.00 21.64 ? 119 GLY G N 1 ATOM 9971 C CA . GLY G 3 104 ? 34.746 -30.027 -6.979 1.00 21.89 ? 119 GLY G CA 1 ATOM 9972 C C . GLY G 3 104 ? 35.184 -29.528 -8.344 1.00 25.39 ? 119 GLY G C 1 ATOM 9973 O O . GLY G 3 104 ? 34.342 -29.094 -9.146 1.00 24.71 ? 119 GLY G O 1 ATOM 9974 N N . GLY G 3 105 ? 36.478 -29.607 -8.622 1.00 22.53 ? 120 GLY G N 1 ATOM 9975 C CA . GLY G 3 105 ? 37.056 -29.143 -9.880 1.00 22.43 ? 120 GLY G CA 1 ATOM 9976 C C . GLY G 3 105 ? 36.704 -29.951 -11.115 1.00 25.77 ? 120 GLY G C 1 ATOM 9977 O O . GLY G 3 105 ? 36.935 -29.495 -12.242 1.00 26.05 ? 120 GLY G O 1 ATOM 9978 N N . GLY G 3 106 ? 36.171 -31.151 -10.902 1.00 21.03 ? 121 GLY G N 1 ATOM 9979 C CA . GLY G 3 106 ? 35.784 -32.060 -11.968 1.00 20.11 ? 121 GLY G CA 1 ATOM 9980 C C . GLY G 3 106 ? 36.915 -32.928 -12.477 1.00 25.48 ? 121 GLY G C 1 ATOM 9981 O O . GLY G 3 106 ? 38.092 -32.662 -12.218 1.00 26.18 ? 121 GLY G O 1 ATOM 9982 N N . THR G 3 107 ? 36.543 -33.984 -13.207 1.00 22.50 ? 122 THR G N 1 ATOM 9983 C CA . THR G 3 107 ? 37.455 -34.920 -13.850 1.00 22.92 ? 122 THR G CA 1 ATOM 9984 C C . THR G 3 107 ? 37.108 -34.932 -15.332 1.00 26.26 ? 122 THR G C 1 ATOM 9985 O O . THR G 3 107 ? 36.008 -35.352 -15.698 1.00 25.14 ? 122 THR G O 1 ATOM 9986 C CB . THR G 3 107 ? 37.380 -36.315 -13.188 1.00 29.58 ? 122 THR G CB 1 ATOM 9987 O OG1 . THR G 3 107 ? 37.807 -36.202 -11.830 1.00 28.22 ? 122 THR G OG1 1 ATOM 9988 C CG2 . THR G 3 107 ? 38.244 -37.365 -13.910 1.00 28.29 ? 122 THR G CG2 1 ATOM 9989 N N . ARG G 3 108 ? 38.026 -34.452 -16.179 1.00 23.48 ? 123 ARG G N 1 ATOM 9990 C CA . ARG G 3 108 ? 37.803 -34.448 -17.621 1.00 23.19 ? 123 ARG G CA 1 ATOM 9991 C C . ARG G 3 108 ? 38.166 -35.830 -18.160 1.00 28.42 ? 123 ARG G C 1 ATOM 9992 O O . ARG G 3 108 ? 39.346 -36.184 -18.233 1.00 28.60 ? 123 ARG G O 1 ATOM 9993 C CB . ARG G 3 108 ? 38.594 -33.330 -18.319 1.00 23.53 ? 123 ARG G CB 1 ATOM 9994 C CG . ARG G 3 108 ? 38.227 -31.929 -17.849 1.00 32.81 ? 123 ARG G CG 1 ATOM 9995 C CD . ARG G 3 108 ? 39.062 -30.865 -18.536 1.00 46.32 ? 123 ARG G CD 1 ATOM 9996 N NE . ARG G 3 108 ? 40.473 -30.923 -18.140 1.00 58.09 ? 123 ARG G NE 1 ATOM 9997 C CZ . ARG G 3 108 ? 41.475 -31.244 -18.954 1.00 72.27 ? 123 ARG G CZ 1 ATOM 9998 N NH1 . ARG G 3 108 ? 41.241 -31.529 -20.231 1.00 56.43 1 123 ARG G NH1 1 ATOM 9999 N NH2 . ARG G 3 108 ? 42.721 -31.273 -18.500 1.00 62.44 ? 123 ARG G NH2 1 ATOM 10000 N N . LEU G 3 109 ? 37.142 -36.633 -18.457 1.00 25.40 ? 124 LEU G N 1 ATOM 10001 C CA . LEU G 3 109 ? 37.308 -37.990 -18.948 1.00 26.66 ? 124 LEU G CA 1 ATOM 10002 C C . LEU G 3 109 ? 37.304 -38.019 -20.463 1.00 32.82 ? 124 LEU G C 1 ATOM 10003 O O . LEU G 3 109 ? 36.401 -37.469 -21.102 1.00 31.21 ? 124 LEU G O 1 ATOM 10004 C CB . LEU G 3 109 ? 36.198 -38.896 -18.392 1.00 26.88 ? 124 LEU G CB 1 ATOM 10005 C CG . LEU G 3 109 ? 36.464 -40.392 -18.432 1.00 31.92 ? 124 LEU G CG 1 ATOM 10006 C CD1 . LEU G 3 109 ? 37.061 -40.854 -17.134 1.00 32.77 ? 124 LEU G CD1 1 ATOM 10007 C CD2 . LEU G 3 109 ? 35.186 -41.156 -18.686 1.00 32.87 ? 124 LEU G CD2 1 ATOM 10008 N N . MET G 3 110 ? 38.320 -38.670 -21.033 1.00 32.93 ? 125 MET G N 1 ATOM 10009 C CA . MET G 3 110 ? 38.472 -38.827 -22.470 1.00 34.11 ? 125 MET G CA 1 ATOM 10010 C C . MET G 3 110 ? 38.673 -40.309 -22.769 1.00 38.14 ? 125 MET G C 1 ATOM 10011 O O . MET G 3 110 ? 39.682 -40.884 -22.362 1.00 38.44 ? 125 MET G O 1 ATOM 10012 C CB . MET G 3 110 ? 39.632 -37.960 -22.985 1.00 37.28 ? 125 MET G CB 1 ATOM 10013 C CG . MET G 3 110 ? 39.514 -37.603 -24.449 1.00 42.25 ? 125 MET G CG 1 ATOM 10014 S SD . MET G 3 110 ? 40.653 -38.540 -25.507 1.00 49.22 ? 125 MET G SD 1 ATOM 10015 C CE . MET G 3 110 ? 42.229 -37.712 -25.148 1.00 46.27 ? 125 MET G CE 1 ATOM 10016 N N . VAL G 3 111 ? 37.663 -40.938 -23.406 1.00 34.58 ? 126 VAL G N 1 ATOM 10017 C CA . VAL G 3 111 ? 37.661 -42.357 -23.782 1.00 35.63 ? 126 VAL G CA 1 ATOM 10018 C C . VAL G 3 111 ? 38.063 -42.445 -25.251 1.00 40.51 ? 126 VAL G C 1 ATOM 10019 O O . VAL G 3 111 ? 37.264 -42.137 -26.140 1.00 39.43 ? 126 VAL G O 1 ATOM 10020 C CB . VAL G 3 111 ? 36.320 -43.089 -23.489 1.00 39.92 ? 126 VAL G CB 1 ATOM 10021 C CG1 . VAL G 3 111 ? 36.428 -44.580 -23.810 1.00 41.35 ? 126 VAL G CG1 1 ATOM 10022 C CG2 . VAL G 3 111 ? 35.883 -42.886 -22.039 1.00 39.37 ? 126 VAL G CG2 1 ATOM 10023 N N . LYS G 3 112 ? 39.330 -42.823 -25.483 1.00 39.06 ? 127 LYS G N 1 ATOM 10024 C CA . LYS G 3 112 ? 39.966 -42.965 -26.792 1.00 39.43 ? 127 LYS G CA 1 ATOM 10025 C C . LYS G 3 112 ? 39.449 -44.246 -27.483 1.00 44.75 ? 127 LYS G C 1 ATOM 10026 O O . LYS G 3 112 ? 39.673 -45.346 -26.968 1.00 45.50 ? 127 LYS G O 1 ATOM 10027 C CB . LYS G 3 112 ? 41.497 -42.997 -26.605 1.00 42.94 ? 127 LYS G CB 1 ATOM 10028 C CG . LYS G 3 112 ? 42.311 -42.447 -27.774 1.00 62.28 ? 127 LYS G CG 1 ATOM 10029 C CD . LYS G 3 112 ? 43.684 -41.863 -27.353 1.00 73.04 ? 127 LYS G CD 1 ATOM 10030 C CE . LYS G 3 112 ? 44.658 -42.830 -26.700 1.00 84.98 ? 127 LYS G CE 1 ATOM 10031 N NZ . LYS G 3 112 ? 45.147 -43.875 -27.635 1.00 93.48 1 127 LYS G NZ 1 ATOM 10032 N N . PRO G 3 113 ? 38.712 -44.127 -28.616 1.00 41.71 ? 128 PRO G N 1 ATOM 10033 C CA . PRO G 3 113 ? 38.185 -45.336 -29.283 1.00 43.10 ? 128 PRO G CA 1 ATOM 10034 C C . PRO G 3 113 ? 39.269 -46.229 -29.895 1.00 48.83 ? 128 PRO G C 1 ATOM 10035 O O . PRO G 3 113 ? 40.363 -45.750 -30.208 1.00 47.83 ? 128 PRO G O 1 ATOM 10036 C CB . PRO G 3 113 ? 37.281 -44.770 -30.381 1.00 44.36 ? 128 PRO G CB 1 ATOM 10037 C CG . PRO G 3 113 ? 37.820 -43.417 -30.653 1.00 47.48 ? 128 PRO G CG 1 ATOM 10038 C CD . PRO G 3 113 ? 38.320 -42.899 -29.340 1.00 42.21 ? 128 PRO G CD 1 ATOM 10039 N N . HIS G 3 114 ? 38.954 -47.528 -30.074 1.00 47.74 ? 129 HIS G N 1 ATOM 10040 C CA . HIS G 3 114 ? 39.878 -48.489 -30.671 1.00 49.48 ? 129 HIS G CA 1 ATOM 10041 C C . HIS G 3 114 ? 39.738 -48.480 -32.203 1.00 53.78 ? 129 HIS G C 1 ATOM 10042 O O . HIS G 3 114 ? 38.635 -48.681 -32.725 1.00 53.67 ? 129 HIS G O 1 ATOM 10043 C CB . HIS G 3 114 ? 39.657 -49.905 -30.097 1.00 52.63 ? 129 HIS G CB 1 ATOM 10044 C CG . HIS G 3 114 ? 40.494 -50.958 -30.761 1.00 58.01 ? 129 HIS G CG 1 ATOM 10045 N ND1 . HIS G 3 114 ? 39.929 -51.906 -31.597 1.00 61.52 ? 129 HIS G ND1 1 ATOM 10046 C CD2 . HIS G 3 114 ? 41.836 -51.140 -30.736 1.00 60.35 ? 129 HIS G CD2 1 ATOM 10047 C CE1 . HIS G 3 114 ? 40.937 -52.641 -32.036 1.00 62.34 ? 129 HIS G CE1 1 ATOM 10048 N NE2 . HIS G 3 114 ? 42.104 -52.218 -31.545 1.00 62.01 ? 129 HIS G NE2 1 ATOM 10049 N N . ILE G 3 115 ? 40.865 -48.241 -32.913 1.00 50.58 ? 130 ILE G N 1 ATOM 10050 C CA . ILE G 3 115 ? 40.927 -48.214 -34.381 1.00 50.83 ? 130 ILE G CA 1 ATOM 10051 C C . ILE G 3 115 ? 41.341 -49.615 -34.851 1.00 58.27 ? 130 ILE G C 1 ATOM 10052 O O . ILE G 3 115 ? 42.510 -49.995 -34.716 1.00 58.62 ? 130 ILE G O 1 ATOM 10053 C CB . ILE G 3 115 ? 41.874 -47.086 -34.905 1.00 52.35 ? 130 ILE G CB 1 ATOM 10054 C CG1 . ILE G 3 115 ? 41.589 -45.700 -34.235 1.00 50.71 ? 130 ILE G CG1 1 ATOM 10055 C CG2 . ILE G 3 115 ? 41.870 -46.997 -36.449 1.00 53.24 ? 130 ILE G CG2 1 ATOM 10056 C CD1 . ILE G 3 115 ? 40.163 -45.049 -34.433 1.00 55.31 ? 130 ILE G CD1 1 ATOM 10057 N N . GLN G 3 116 ? 40.362 -50.390 -35.360 1.00 57.25 ? 131 GLN G N 1 ATOM 10058 C CA . GLN G 3 116 ? 40.537 -51.778 -35.807 1.00 59.87 ? 131 GLN G CA 1 ATOM 10059 C C . GLN G 3 116 ? 41.446 -51.889 -37.050 1.00 64.06 ? 131 GLN G C 1 ATOM 10060 O O . GLN G 3 116 ? 42.343 -52.738 -37.057 1.00 64.98 ? 131 GLN G O 1 ATOM 10061 C CB . GLN G 3 116 ? 39.164 -52.435 -36.078 1.00 62.79 ? 131 GLN G CB 1 ATOM 10062 C CG . GLN G 3 116 ? 39.205 -53.933 -36.412 1.00 85.99 ? 131 GLN G CG 1 ATOM 10063 C CD . GLN G 3 116 ? 39.630 -54.794 -35.247 1.00 108.84 ? 131 GLN G CD 1 ATOM 10064 O OE1 . GLN G 3 116 ? 38.848 -55.077 -34.332 1.00 105.09 ? 131 GLN G OE1 1 ATOM 10065 N NE2 . GLN G 3 116 ? 40.876 -55.249 -35.270 1.00 102.11 ? 131 GLN G NE2 1 ATOM 10066 N N . ASN G 3 117 ? 41.215 -51.057 -38.088 1.00 59.56 ? 132 ASN G N 1 ATOM 10067 C CA . ASN G 3 117 ? 42.019 -51.112 -39.312 1.00 59.90 ? 132 ASN G CA 1 ATOM 10068 C C . ASN G 3 117 ? 42.656 -49.734 -39.628 1.00 61.12 ? 132 ASN G C 1 ATOM 10069 O O . ASN G 3 117 ? 42.084 -48.928 -40.373 1.00 59.32 ? 132 ASN G O 1 ATOM 10070 C CB . ASN G 3 117 ? 41.195 -51.652 -40.484 1.00 63.26 ? 132 ASN G CB 1 ATOM 10071 C CG . ASN G 3 117 ? 40.805 -53.101 -40.299 1.00 87.75 ? 132 ASN G CG 1 ATOM 10072 O OD1 . ASN G 3 117 ? 39.706 -53.423 -39.826 1.00 80.61 ? 132 ASN G OD1 1 ATOM 10073 N ND2 . ASN G 3 117 ? 41.715 -54.008 -40.637 1.00 81.02 ? 132 ASN G ND2 1 ATOM 10074 N N . PRO G 3 118 ? 43.854 -49.458 -39.053 1.00 57.13 ? 133 PRO G N 1 ATOM 10075 C CA . PRO G 3 118 ? 44.500 -48.162 -39.299 1.00 55.10 ? 133 PRO G CA 1 ATOM 10076 C C . PRO G 3 118 ? 45.238 -48.127 -40.637 1.00 59.11 ? 133 PRO G C 1 ATOM 10077 O O . PRO G 3 118 ? 46.076 -48.990 -40.928 1.00 59.76 ? 133 PRO G O 1 ATOM 10078 C CB . PRO G 3 118 ? 45.462 -47.993 -38.109 1.00 56.58 ? 133 PRO G CB 1 ATOM 10079 C CG . PRO G 3 118 ? 45.408 -49.284 -37.333 1.00 62.82 ? 133 PRO G CG 1 ATOM 10080 C CD . PRO G 3 118 ? 44.666 -50.293 -38.145 1.00 59.82 ? 133 PRO G CD 1 ATOM 10081 N N . ASP G 3 119 ? 44.909 -47.114 -41.451 1.00 54.34 ? 134 ASP G N 1 ATOM 10082 C CA . ASP G 3 119 ? 45.500 -46.888 -42.766 1.00 53.90 ? 134 ASP G CA 1 ATOM 10083 C C . ASP G 3 119 ? 45.892 -45.392 -42.919 1.00 54.50 ? 134 ASP G C 1 ATOM 10084 O O . ASP G 3 119 ? 45.227 -44.665 -43.667 1.00 53.11 ? 134 ASP G O 1 ATOM 10085 C CB . ASP G 3 119 ? 44.512 -47.344 -43.853 1.00 56.72 ? 134 ASP G CB 1 ATOM 10086 C CG . ASP G 3 119 ? 45.077 -47.419 -45.255 1.00 68.31 ? 134 ASP G CG 1 ATOM 10087 O OD1 . ASP G 3 119 ? 46.320 -47.504 -45.396 1.00 68.96 ? 134 ASP G OD1 1 ATOM 10088 O OD2 . ASP G 3 119 ? 44.278 -47.426 -46.210 1.00 75.85 -1 134 ASP G OD2 1 ATOM 10089 N N . PRO G 3 120 ? 46.955 -44.914 -42.201 1.00 49.39 ? 135 PRO G N 1 ATOM 10090 C CA . PRO G 3 120 ? 47.343 -43.489 -42.298 1.00 47.23 ? 135 PRO G CA 1 ATOM 10091 C C . PRO G 3 120 ? 47.654 -43.034 -43.731 1.00 48.65 ? 135 PRO G C 1 ATOM 10092 O O . PRO G 3 120 ? 48.481 -43.633 -44.423 1.00 48.65 ? 135 PRO G O 1 ATOM 10093 C CB . PRO G 3 120 ? 48.591 -43.396 -41.404 1.00 49.18 ? 135 PRO G CB 1 ATOM 10094 C CG . PRO G 3 120 ? 49.094 -44.804 -41.287 1.00 55.30 ? 135 PRO G CG 1 ATOM 10095 C CD . PRO G 3 120 ? 47.845 -45.632 -41.263 1.00 51.62 ? 135 PRO G CD 1 ATOM 10096 N N . ALA G 3 121 ? 46.942 -41.986 -44.178 1.00 42.72 ? 136 ALA G N 1 ATOM 10097 C CA . ALA G 3 121 ? 47.068 -41.416 -45.517 1.00 41.53 ? 136 ALA G CA 1 ATOM 10098 C C . ALA G 3 121 ? 46.722 -39.937 -45.519 1.00 42.66 ? 136 ALA G C 1 ATOM 10099 O O . ALA G 3 121 ? 45.863 -39.500 -44.753 1.00 41.85 ? 136 ALA G O 1 ATOM 10100 C CB . ALA G 3 121 ? 46.164 -42.162 -46.491 1.00 43.03 ? 136 ALA G CB 1 ATOM 10101 N N . VAL G 3 122 ? 47.396 -39.172 -46.382 1.00 37.96 ? 137 VAL G N 1 ATOM 10102 C CA . VAL G 3 122 ? 47.174 -37.735 -46.559 1.00 37.01 ? 137 VAL G CA 1 ATOM 10103 C C . VAL G 3 122 ? 46.531 -37.518 -47.934 1.00 40.41 ? 137 VAL G C 1 ATOM 10104 O O . VAL G 3 122 ? 47.081 -37.957 -48.947 1.00 40.89 ? 137 VAL G O 1 ATOM 10105 C CB . VAL G 3 122 ? 48.463 -36.888 -46.377 1.00 40.71 ? 137 VAL G CB 1 ATOM 10106 C CG1 . VAL G 3 122 ? 48.175 -35.410 -46.595 1.00 40.36 ? 137 VAL G CG1 1 ATOM 10107 C CG2 . VAL G 3 122 ? 49.074 -37.099 -44.994 1.00 40.39 ? 137 VAL G CG2 1 ATOM 10108 N N . TYR G 3 123 ? 45.363 -36.862 -47.961 1.00 35.47 ? 138 TYR G N 1 ATOM 10109 C CA . TYR G 3 123 ? 44.650 -36.590 -49.210 1.00 34.96 ? 138 TYR G CA 1 ATOM 10110 C C . TYR G 3 123 ? 44.412 -35.105 -49.412 1.00 37.42 ? 138 TYR G C 1 ATOM 10111 O O . TYR G 3 123 ? 44.079 -34.394 -48.457 1.00 36.04 ? 138 TYR G O 1 ATOM 10112 C CB . TYR G 3 123 ? 43.290 -37.303 -49.242 1.00 36.26 ? 138 TYR G CB 1 ATOM 10113 C CG . TYR G 3 123 ? 43.304 -38.786 -48.946 1.00 37.26 ? 138 TYR G CG 1 ATOM 10114 C CD1 . TYR G 3 123 ? 43.731 -39.704 -49.902 1.00 39.51 ? 138 TYR G CD1 1 ATOM 10115 C CD2 . TYR G 3 123 ? 42.784 -39.280 -47.755 1.00 37.40 ? 138 TYR G CD2 1 ATOM 10116 C CE1 . TYR G 3 123 ? 43.709 -41.074 -49.647 1.00 40.33 ? 138 TYR G CE1 1 ATOM 10117 C CE2 . TYR G 3 123 ? 42.741 -40.646 -47.496 1.00 39.03 ? 138 TYR G CE2 1 ATOM 10118 C CZ . TYR G 3 123 ? 43.199 -41.541 -48.447 1.00 48.33 ? 138 TYR G CZ 1 ATOM 10119 O OH . TYR G 3 123 ? 43.157 -42.886 -48.178 1.00 52.23 ? 138 TYR G OH 1 ATOM 10120 N N . GLN G 3 124 ? 44.554 -34.640 -50.660 1.00 34.06 ? 139 GLN G N 1 ATOM 10121 C CA . GLN G 3 124 ? 44.259 -33.253 -51.005 1.00 34.03 ? 139 GLN G CA 1 ATOM 10122 C C . GLN G 3 124 ? 42.798 -33.183 -51.438 1.00 39.52 ? 139 GLN G C 1 ATOM 10123 O O . GLN G 3 124 ? 42.322 -34.057 -52.172 1.00 40.08 ? 139 GLN G O 1 ATOM 10124 C CB . GLN G 3 124 ? 45.203 -32.702 -52.086 1.00 35.44 ? 139 GLN G CB 1 ATOM 10125 C CG . GLN G 3 124 ? 45.186 -31.175 -52.143 1.00 53.79 ? 139 GLN G CG 1 ATOM 10126 C CD . GLN G 3 124 ? 46.296 -30.606 -52.980 1.00 82.46 ? 139 GLN G CD 1 ATOM 10127 O OE1 . GLN G 3 124 ? 47.471 -30.616 -52.591 1.00 80.75 ? 139 GLN G OE1 1 ATOM 10128 N NE2 . GLN G 3 124 ? 45.940 -30.051 -54.129 1.00 76.49 ? 139 GLN G NE2 1 ATOM 10129 N N . LEU G 3 125 ? 42.079 -32.171 -50.954 1.00 36.42 ? 140 LEU G N 1 ATOM 10130 C CA . LEU G 3 125 ? 40.666 -32.008 -51.279 1.00 37.88 ? 140 LEU G CA 1 ATOM 10131 C C . LEU G 3 125 ? 40.474 -31.004 -52.409 1.00 46.14 ? 140 LEU G C 1 ATOM 10132 O O . LEU G 3 125 ? 41.360 -30.179 -52.659 1.00 45.26 ? 140 LEU G O 1 ATOM 10133 C CB . LEU G 3 125 ? 39.873 -31.593 -50.028 1.00 37.17 ? 140 LEU G CB 1 ATOM 10134 C CG . LEU G 3 125 ? 39.290 -32.754 -49.220 1.00 40.60 ? 140 LEU G CG 1 ATOM 10135 C CD1 . LEU G 3 125 ? 40.349 -33.453 -48.395 1.00 39.30 ? 140 LEU G CD1 1 ATOM 10136 C CD2 . LEU G 3 125 ? 38.188 -32.283 -48.325 1.00 41.81 ? 140 LEU G CD2 1 ATOM 10137 N N . ARG G 3 126 ? 39.323 -31.099 -53.108 1.00 47.07 ? 141 ARG G N 1 ATOM 10138 C CA . ARG G 3 126 ? 38.969 -30.204 -54.215 1.00 49.68 ? 141 ARG G CA 1 ATOM 10139 C C . ARG G 3 126 ? 38.709 -28.804 -53.674 1.00 56.32 ? 141 ARG G C 1 ATOM 10140 O O . ARG G 3 126 ? 38.026 -28.647 -52.652 1.00 55.76 ? 141 ARG G O 1 ATOM 10141 C CB . ARG G 3 126 ? 37.747 -30.726 -54.993 1.00 52.14 ? 141 ARG G CB 1 ATOM 10142 N N . ASP G 3 127 ? 39.294 -27.798 -54.337 1.00 55.39 ? 142 ASP G N 1 ATOM 10143 C CA . ASP G 3 127 ? 39.174 -26.398 -53.942 1.00 56.89 ? 142 ASP G CA 1 ATOM 10144 C C . ASP G 3 127 ? 37.778 -25.853 -54.236 1.00 63.60 ? 142 ASP G C 1 ATOM 10145 O O . ASP G 3 127 ? 37.186 -26.180 -55.267 1.00 64.65 ? 142 ASP G O 1 ATOM 10146 C CB . ASP G 3 127 ? 40.242 -25.540 -54.650 1.00 59.36 ? 142 ASP G CB 1 ATOM 10147 C CG . ASP G 3 127 ? 41.678 -25.854 -54.263 1.00 70.83 ? 142 ASP G CG 1 ATOM 10148 O OD1 . ASP G 3 127 ? 41.943 -26.045 -53.050 1.00 70.22 ? 142 ASP G OD1 1 ATOM 10149 O OD2 . ASP G 3 127 ? 42.546 -25.865 -55.164 1.00 78.41 -1 142 ASP G OD2 1 ATOM 10150 N N . SER G 3 128 ? 37.253 -25.036 -53.309 1.00 60.99 ? 143 SER G N 1 ATOM 10151 C CA . SER G 3 128 ? 35.951 -24.386 -53.442 1.00 63.08 ? 143 SER G CA 1 ATOM 10152 C C . SER G 3 128 ? 36.141 -23.064 -54.194 1.00 69.61 ? 143 SER G C 1 ATOM 10153 O O . SER G 3 128 ? 37.050 -22.294 -53.863 1.00 68.45 ? 143 SER G O 1 ATOM 10154 C CB . SER G 3 128 ? 35.313 -24.172 -52.070 1.00 65.50 ? 143 SER G CB 1 ATOM 10155 O OG . SER G 3 128 ? 34.110 -23.423 -52.131 1.00 75.11 ? 143 SER G OG 1 ATOM 10156 N N . LYS G 3 129 ? 35.290 -22.812 -55.211 1.00 69.24 ? 144 LYS G N 1 ATOM 10157 C CA . LYS G 3 129 ? 35.334 -21.620 -56.070 1.00 71.49 ? 144 LYS G CA 1 ATOM 10158 C C . LYS G 3 129 ? 35.130 -20.295 -55.298 1.00 77.39 ? 144 LYS G C 1 ATOM 10159 O O . LYS G 3 129 ? 35.367 -19.222 -55.860 1.00 78.46 ? 144 LYS G O 1 ATOM 10160 C CB . LYS G 3 129 ? 34.285 -21.735 -57.185 1.00 76.58 ? 144 LYS G CB 1 ATOM 10161 N N . SER G 3 130 ? 34.722 -20.375 -54.018 1.00 74.27 ? 145 SER G N 1 ATOM 10162 C CA . SER G 3 130 ? 34.474 -19.217 -53.161 1.00 75.36 ? 145 SER G CA 1 ATOM 10163 C C . SER G 3 130 ? 35.480 -19.094 -52.005 1.00 76.86 ? 145 SER G C 1 ATOM 10164 O O . SER G 3 130 ? 35.726 -17.980 -51.536 1.00 77.00 ? 145 SER G O 1 ATOM 10165 C CB . SER G 3 130 ? 33.063 -19.295 -52.586 1.00 80.75 ? 145 SER G CB 1 ATOM 10166 O OG . SER G 3 130 ? 32.090 -19.434 -53.610 1.00 93.69 ? 145 SER G OG 1 ATOM 10167 N N . SER G 3 131 ? 36.051 -20.234 -51.553 1.00 71.18 ? 146 SER G N 1 ATOM 10168 C CA . SER G 3 131 ? 36.951 -20.360 -50.396 1.00 69.00 ? 146 SER G CA 1 ATOM 10169 C C . SER G 3 131 ? 38.317 -19.672 -50.508 1.00 71.83 ? 146 SER G C 1 ATOM 10170 O O . SER G 3 131 ? 38.820 -19.215 -49.474 1.00 71.57 ? 146 SER G O 1 ATOM 10171 C CB . SER G 3 131 ? 37.209 -21.827 -50.085 1.00 70.56 ? 146 SER G CB 1 ATOM 10172 N N . ASP G 3 132 ? 38.967 -19.698 -51.702 1.00 66.71 ? 147 ASP G N 1 ATOM 10173 C CA . ASP G 3 132 ? 40.320 -19.156 -51.944 1.00 65.52 ? 147 ASP G CA 1 ATOM 10174 C C . ASP G 3 132 ? 41.401 -19.934 -51.139 1.00 65.06 ? 147 ASP G C 1 ATOM 10175 O O . ASP G 3 132 ? 42.599 -19.680 -51.301 1.00 64.22 ? 147 ASP G O 1 ATOM 10176 C CB . ASP G 3 132 ? 40.399 -17.644 -51.642 1.00 69.11 ? 147 ASP G CB 1 ATOM 10177 N N . LYS G 3 133 ? 40.963 -20.892 -50.294 1.00 58.74 ? 148 LYS G N 1 ATOM 10178 C CA . LYS G 3 133 ? 41.799 -21.750 -49.453 1.00 55.58 ? 148 LYS G CA 1 ATOM 10179 C C . LYS G 3 133 ? 41.914 -23.169 -50.042 1.00 56.79 ? 148 LYS G C 1 ATOM 10180 O O . LYS G 3 133 ? 41.079 -23.585 -50.855 1.00 56.86 ? 148 LYS G O 1 ATOM 10181 C CB . LYS G 3 133 ? 41.229 -21.819 -48.022 1.00 56.80 ? 148 LYS G CB 1 ATOM 10182 C CG . LYS G 3 133 ? 41.396 -20.538 -47.213 1.00 65.22 ? 148 LYS G CG 1 ATOM 10183 C CD . LYS G 3 133 ? 40.653 -20.617 -45.881 1.00 70.55 ? 148 LYS G CD 1 ATOM 10184 C CE . LYS G 3 133 ? 39.770 -19.417 -45.620 1.00 79.51 ? 148 LYS G CE 1 ATOM 10185 N NZ . LYS G 3 133 ? 38.531 -19.436 -46.445 1.00 88.70 1 148 LYS G NZ 1 ATOM 10186 N N . SER G 3 134 ? 42.967 -23.898 -49.629 1.00 50.66 ? 149 SER G N 1 ATOM 10187 C CA . SER G 3 134 ? 43.262 -25.279 -50.026 1.00 48.84 ? 149 SER G CA 1 ATOM 10188 C C . SER G 3 134 ? 43.280 -26.153 -48.765 1.00 49.61 ? 149 SER G C 1 ATOM 10189 O O . SER G 3 134 ? 43.835 -25.734 -47.754 1.00 48.06 ? 149 SER G O 1 ATOM 10190 C CB . SER G 3 134 ? 44.588 -25.349 -50.776 1.00 52.64 ? 149 SER G CB 1 ATOM 10191 O OG . SER G 3 134 ? 44.705 -24.304 -51.729 1.00 64.51 ? 149 SER G OG 1 ATOM 10192 N N . VAL G 3 135 ? 42.639 -27.331 -48.804 1.00 45.02 ? 150 VAL G N 1 ATOM 10193 C CA . VAL G 3 135 ? 42.505 -28.194 -47.629 1.00 43.41 ? 150 VAL G CA 1 ATOM 10194 C C . VAL G 3 135 ? 43.135 -29.591 -47.858 1.00 47.65 ? 150 VAL G C 1 ATOM 10195 O O . VAL G 3 135 ? 42.865 -30.244 -48.863 1.00 47.72 ? 150 VAL G O 1 ATOM 10196 C CB . VAL G 3 135 ? 41.002 -28.278 -47.213 1.00 47.23 ? 150 VAL G CB 1 ATOM 10197 C CG1 . VAL G 3 135 ? 40.716 -29.446 -46.272 1.00 46.20 ? 150 VAL G CG1 1 ATOM 10198 C CG2 . VAL G 3 135 ? 40.527 -26.965 -46.595 1.00 47.42 ? 150 VAL G CG2 1 ATOM 10199 N N . CYS G 3 136 ? 43.982 -30.016 -46.899 1.00 44.73 ? 151 CYS G N 1 ATOM 10200 C CA . CYS G 3 136 ? 44.644 -31.320 -46.818 1.00 44.88 ? 151 CYS G CA 1 ATOM 10201 C C . CYS G 3 136 ? 44.023 -32.101 -45.663 1.00 44.85 ? 151 CYS G C 1 ATOM 10202 O O . CYS G 3 136 ? 43.786 -31.536 -44.592 1.00 43.38 ? 151 CYS G O 1 ATOM 10203 C CB . CYS G 3 136 ? 46.155 -31.178 -46.639 1.00 46.46 ? 151 CYS G CB 1 ATOM 10204 S SG . CYS G 3 136 ? 47.024 -30.500 -48.080 1.00 52.11 ? 151 CYS G SG 1 ATOM 10205 N N . LEU G 3 137 ? 43.777 -33.399 -45.873 1.00 39.69 ? 152 LEU G N 1 ATOM 10206 C CA . LEU G 3 137 ? 43.188 -34.263 -44.858 1.00 38.06 ? 152 LEU G CA 1 ATOM 10207 C C . LEU G 3 137 ? 44.098 -35.442 -44.516 1.00 39.74 ? 152 LEU G C 1 ATOM 10208 O O . LEU G 3 137 ? 44.425 -36.266 -45.371 1.00 39.66 ? 152 LEU G O 1 ATOM 10209 C CB . LEU G 3 137 ? 41.798 -34.768 -45.313 1.00 38.61 ? 152 LEU G CB 1 ATOM 10210 C CG . LEU G 3 137 ? 41.069 -35.795 -44.423 1.00 43.02 ? 152 LEU G CG 1 ATOM 10211 C CD1 . LEU G 3 137 ? 40.294 -35.118 -43.308 1.00 42.71 ? 152 LEU G CD1 1 ATOM 10212 C CD2 . LEU G 3 137 ? 40.131 -36.650 -45.248 1.00 45.95 ? 152 LEU G CD2 1 ATOM 10213 N N . PHE G 3 138 ? 44.496 -35.507 -43.249 1.00 34.83 ? 153 PHE G N 1 ATOM 10214 C CA . PHE G 3 138 ? 45.224 -36.628 -42.684 1.00 34.21 ? 153 PHE G CA 1 ATOM 10215 C C . PHE G 3 138 ? 44.150 -37.457 -42.017 1.00 38.97 ? 153 PHE G C 1 ATOM 10216 O O . PHE G 3 138 ? 43.405 -36.909 -41.209 1.00 37.82 ? 153 PHE G O 1 ATOM 10217 C CB . PHE G 3 138 ? 46.327 -36.147 -41.721 1.00 35.13 ? 153 PHE G CB 1 ATOM 10218 C CG . PHE G 3 138 ? 47.101 -37.220 -40.988 1.00 36.39 ? 153 PHE G CG 1 ATOM 10219 C CD1 . PHE G 3 138 ? 47.376 -38.445 -41.593 1.00 39.52 ? 153 PHE G CD1 1 ATOM 10220 C CD2 . PHE G 3 138 ? 47.605 -36.987 -39.714 1.00 37.35 ? 153 PHE G CD2 1 ATOM 10221 C CE1 . PHE G 3 138 ? 48.096 -39.433 -40.915 1.00 40.57 ? 153 PHE G CE1 1 ATOM 10222 C CE2 . PHE G 3 138 ? 48.329 -37.974 -39.038 1.00 40.15 ? 153 PHE G CE2 1 ATOM 10223 C CZ . PHE G 3 138 ? 48.563 -39.191 -39.641 1.00 38.95 ? 153 PHE G CZ 1 ATOM 10224 N N . THR G 3 139 ? 43.962 -38.720 -42.442 1.00 37.14 ? 154 THR G N 1 ATOM 10225 C CA . THR G 3 139 ? 42.886 -39.559 -41.892 1.00 37.51 ? 154 THR G CA 1 ATOM 10226 C C . THR G 3 139 ? 43.287 -41.038 -41.771 1.00 42.50 ? 154 THR G C 1 ATOM 10227 O O . THR G 3 139 ? 44.343 -41.448 -42.261 1.00 42.04 ? 154 THR G O 1 ATOM 10228 C CB . THR G 3 139 ? 41.577 -39.406 -42.725 1.00 45.98 ? 154 THR G CB 1 ATOM 10229 O OG1 . THR G 3 139 ? 40.485 -40.005 -42.021 1.00 47.21 ? 154 THR G OG1 1 ATOM 10230 C CG2 . THR G 3 139 ? 41.679 -40.000 -44.123 1.00 43.66 ? 154 THR G CG2 1 ATOM 10231 N N . ASP G 3 140 ? 42.410 -41.818 -41.096 1.00 40.60 ? 155 ASP G N 1 ATOM 10232 C CA . ASP G 3 140 ? 42.475 -43.258 -40.851 1.00 42.44 ? 155 ASP G CA 1 ATOM 10233 C C . ASP G 3 140 ? 43.730 -43.702 -40.062 1.00 48.20 ? 155 ASP G C 1 ATOM 10234 O O . ASP G 3 140 ? 44.035 -44.894 -40.041 1.00 49.68 ? 155 ASP G O 1 ATOM 10235 C CB . ASP G 3 140 ? 42.340 -44.054 -42.163 1.00 45.72 ? 155 ASP G CB 1 ATOM 10236 C CG . ASP G 3 140 ? 40.990 -43.890 -42.831 1.00 58.75 ? 155 ASP G CG 1 ATOM 10237 O OD1 . ASP G 3 140 ? 39.970 -44.243 -42.201 1.00 60.52 ? 155 ASP G OD1 1 ATOM 10238 O OD2 . ASP G 3 140 ? 40.954 -43.432 -43.994 1.00 64.45 -1 155 ASP G OD2 1 ATOM 10239 N N . PHE G 3 141 ? 44.406 -42.772 -39.359 1.00 44.30 ? 156 PHE G N 1 ATOM 10240 C CA . PHE G 3 141 ? 45.563 -43.087 -38.514 1.00 44.69 ? 156 PHE G CA 1 ATOM 10241 C C . PHE G 3 141 ? 45.081 -43.702 -37.178 1.00 50.55 ? 156 PHE G C 1 ATOM 10242 O O . PHE G 3 141 ? 43.904 -43.570 -36.831 1.00 49.30 ? 156 PHE G O 1 ATOM 10243 C CB . PHE G 3 141 ? 46.440 -41.839 -38.280 1.00 45.23 ? 156 PHE G CB 1 ATOM 10244 C CG . PHE G 3 141 ? 45.751 -40.617 -37.704 1.00 45.30 ? 156 PHE G CG 1 ATOM 10245 C CD1 . PHE G 3 141 ? 45.164 -39.670 -38.537 1.00 47.37 ? 156 PHE G CD1 1 ATOM 10246 C CD2 . PHE G 3 141 ? 45.754 -40.377 -36.335 1.00 46.74 ? 156 PHE G CD2 1 ATOM 10247 C CE1 . PHE G 3 141 ? 44.556 -38.524 -38.008 1.00 47.31 ? 156 PHE G CE1 1 ATOM 10248 C CE2 . PHE G 3 141 ? 45.143 -39.234 -35.806 1.00 48.54 ? 156 PHE G CE2 1 ATOM 10249 C CZ . PHE G 3 141 ? 44.553 -38.313 -36.648 1.00 46.06 ? 156 PHE G CZ 1 ATOM 10250 N N . ASP G 3 142 ? 45.980 -44.391 -36.447 1.00 49.70 ? 157 ASP G N 1 ATOM 10251 C CA . ASP G 3 142 ? 45.649 -45.036 -35.171 1.00 50.84 ? 157 ASP G CA 1 ATOM 10252 C C . ASP G 3 142 ? 45.533 -44.006 -34.033 1.00 54.49 ? 157 ASP G C 1 ATOM 10253 O O . ASP G 3 142 ? 45.981 -42.865 -34.180 1.00 53.06 ? 157 ASP G O 1 ATOM 10254 C CB . ASP G 3 142 ? 46.679 -46.130 -34.819 1.00 54.58 ? 157 ASP G CB 1 ATOM 10255 C CG . ASP G 3 142 ? 48.106 -45.642 -34.640 1.00 68.18 ? 157 ASP G CG 1 ATOM 10256 O OD1 . ASP G 3 142 ? 48.670 -45.091 -35.607 1.00 69.45 ? 157 ASP G OD1 1 ATOM 10257 O OD2 . ASP G 3 142 ? 48.680 -45.872 -33.557 1.00 75.58 -1 157 ASP G OD2 1 ATOM 10258 N N . SER G 3 143 ? 44.931 -44.421 -32.899 1.00 52.17 ? 158 SER G N 1 ATOM 10259 C CA . SER G 3 143 ? 44.716 -43.572 -31.723 1.00 51.41 ? 158 SER G CA 1 ATOM 10260 C C . SER G 3 143 ? 46.030 -43.217 -30.991 1.00 55.63 ? 158 SER G C 1 ATOM 10261 O O . SER G 3 143 ? 46.083 -42.172 -30.338 1.00 54.24 ? 158 SER G O 1 ATOM 10262 C CB . SER G 3 143 ? 43.731 -44.228 -30.763 1.00 55.38 ? 158 SER G CB 1 ATOM 10263 O OG . SER G 3 143 ? 42.398 -44.032 -31.205 1.00 62.13 ? 158 SER G OG 1 ATOM 10264 N N . GLN G 3 144 ? 47.091 -44.047 -31.130 1.00 53.88 ? 159 GLN G N 1 ATOM 10265 C CA . GLN G 3 144 ? 48.399 -43.777 -30.517 1.00 54.61 ? 159 GLN G CA 1 ATOM 10266 C C . GLN G 3 144 ? 49.138 -42.660 -31.293 1.00 58.42 ? 159 GLN G C 1 ATOM 10267 O O . GLN G 3 144 ? 50.101 -42.082 -30.782 1.00 58.64 ? 159 GLN G O 1 ATOM 10268 C CB . GLN G 3 144 ? 49.248 -45.056 -30.434 1.00 57.93 ? 159 GLN G CB 1 ATOM 10269 N N . THR G 3 145 ? 48.651 -42.346 -32.513 1.00 54.33 ? 160 THR G N 1 ATOM 10270 C CA . THR G 3 145 ? 49.156 -41.296 -33.397 1.00 53.46 ? 160 THR G CA 1 ATOM 10271 C C . THR G 3 145 ? 48.288 -40.037 -33.229 1.00 56.04 ? 160 THR G C 1 ATOM 10272 O O . THR G 3 145 ? 47.054 -40.122 -33.265 1.00 54.86 ? 160 THR G O 1 ATOM 10273 C CB . THR G 3 145 ? 49.179 -41.808 -34.852 1.00 61.93 ? 160 THR G CB 1 ATOM 10274 O OG1 . THR G 3 145 ? 50.106 -42.888 -34.945 1.00 64.78 ? 160 THR G OG1 1 ATOM 10275 C CG2 . THR G 3 145 ? 49.552 -40.730 -35.866 1.00 58.89 ? 160 THR G CG2 1 ATOM 10276 N N . ASN G 3 146 ? 48.945 -38.878 -33.044 1.00 52.48 ? 161 ASN G N 1 ATOM 10277 C CA . ASN G 3 146 ? 48.294 -37.573 -32.919 1.00 51.41 ? 161 ASN G CA 1 ATOM 10278 C C . ASN G 3 146 ? 49.036 -36.532 -33.775 1.00 56.03 ? 161 ASN G C 1 ATOM 10279 O O . ASN G 3 146 ? 50.101 -36.826 -34.326 1.00 56.24 ? 161 ASN G O 1 ATOM 10280 C CB . ASN G 3 146 ? 48.208 -37.126 -31.452 1.00 51.07 ? 161 ASN G CB 1 ATOM 10281 C CG . ASN G 3 146 ? 46.974 -36.310 -31.114 1.00 66.71 ? 161 ASN G CG 1 ATOM 10282 O OD1 . ASN G 3 146 ? 46.550 -35.405 -31.849 1.00 51.13 ? 161 ASN G OD1 1 ATOM 10283 N ND2 . ASN G 3 146 ? 46.383 -36.597 -29.966 1.00 62.16 ? 161 ASN G ND2 1 ATOM 10284 N N . VAL G 3 147 ? 48.479 -35.341 -33.865 1.00 52.63 ? 162 VAL G N 1 ATOM 10285 C CA . VAL G 3 147 ? 49.014 -34.289 -34.678 1.00 52.95 ? 162 VAL G CA 1 ATOM 10286 C C . VAL G 3 147 ? 49.316 -33.030 -33.847 1.00 57.43 ? 162 VAL G C 1 ATOM 10287 O O . VAL G 3 147 ? 48.518 -32.614 -33.037 1.00 56.08 ? 162 VAL G O 1 ATOM 10288 C CB . VAL G 3 147 ? 48.064 -34.038 -35.900 1.00 56.43 ? 162 VAL G CB 1 ATOM 10289 C CG1 . VAL G 3 147 ? 47.247 -32.776 -35.791 1.00 55.84 ? 162 VAL G CG1 1 ATOM 10290 C CG2 . VAL G 3 147 ? 48.802 -34.098 -37.217 1.00 56.48 ? 162 VAL G CG2 1 ATOM 10291 N N . SER G 3 148 ? 50.491 -32.465 -34.042 1.00 55.44 ? 163 SER G N 1 ATOM 10292 C CA . SER G 3 148 ? 50.899 -31.242 -33.377 1.00 56.21 ? 163 SER G CA 1 ATOM 10293 C C . SER G 3 148 ? 50.428 -29.961 -34.044 1.00 61.25 ? 163 SER G C 1 ATOM 10294 O O . SER G 3 148 ? 49.829 -29.985 -35.095 1.00 60.56 ? 163 SER G O 1 ATOM 10295 C CB . SER G 3 148 ? 52.404 -31.205 -33.135 1.00 61.12 ? 163 SER G CB 1 ATOM 10296 O OG . SER G 3 148 ? 53.161 -31.092 -34.329 1.00 70.95 ? 163 SER G OG 1 ATOM 10297 N N . GLN G 3 149 ? 50.673 -28.838 -33.393 1.00 59.10 ? 164 GLN G N 1 ATOM 10298 C CA . GLN G 3 149 ? 50.334 -27.531 -33.940 1.00 59.27 ? 164 GLN G CA 1 ATOM 10299 C C . GLN G 3 149 ? 51.256 -27.225 -35.080 1.00 63.90 ? 164 GLN G C 1 ATOM 10300 O O . GLN G 3 149 ? 52.266 -27.844 -35.217 1.00 64.06 ? 164 GLN G O 1 ATOM 10301 C CB . GLN G 3 149 ? 50.472 -26.447 -32.881 1.00 61.47 ? 164 GLN G CB 1 ATOM 10302 C CG . GLN G 3 149 ? 49.544 -26.606 -31.690 1.00 73.30 ? 164 GLN G CG 1 ATOM 10303 C CD . GLN G 3 149 ? 48.104 -26.805 -32.081 1.00 86.60 ? 164 GLN G CD 1 ATOM 10304 O OE1 . GLN G 3 149 ? 47.423 -25.868 -32.464 1.00 80.24 ? 164 GLN G OE1 1 ATOM 10305 N NE2 . GLN G 3 149 ? 47.628 -28.030 -31.963 1.00 77.34 ? 164 GLN G NE2 1 ATOM 10306 N N . SER G 3 150 ? 50.862 -26.291 -35.927 1.00 60.60 ? 165 SER G N 1 ATOM 10307 C CA . SER G 3 150 ? 51.629 -25.922 -37.110 1.00 60.77 ? 165 SER G CA 1 ATOM 10308 C C . SER G 3 150 ? 52.912 -25.146 -36.818 1.00 65.97 ? 165 SER G C 1 ATOM 10309 O O . SER G 3 150 ? 53.021 -24.447 -35.834 1.00 66.13 ? 165 SER G O 1 ATOM 10310 C CB . SER G 3 150 ? 50.740 -25.171 -38.086 1.00 63.77 ? 165 SER G CB 1 ATOM 10311 O OG . SER G 3 150 ? 51.497 -24.480 -39.034 1.00 73.61 ? 165 SER G OG 1 ATOM 10312 N N . LYS G 3 151 ? 53.878 -25.302 -37.704 1.00 62.98 ? 166 LYS G N 1 ATOM 10313 C CA . LYS G 3 151 ? 55.162 -24.632 -37.641 1.00 64.31 ? 166 LYS G CA 1 ATOM 10314 C C . LYS G 3 151 ? 55.336 -23.740 -38.866 1.00 68.52 ? 166 LYS G C 1 ATOM 10315 O O . LYS G 3 151 ? 56.397 -23.632 -39.448 1.00 69.09 ? 166 LYS G O 1 ATOM 10316 C CB . LYS G 3 151 ? 56.294 -25.639 -37.505 1.00 67.18 ? 166 LYS G CB 1 ATOM 10317 C CG . LYS G 3 151 ? 56.067 -26.671 -36.417 1.00 80.12 ? 166 LYS G CG 1 ATOM 10318 C CD . LYS G 3 151 ? 56.505 -26.153 -35.058 1.00 90.57 ? 166 LYS G CD 1 ATOM 10319 C CE . LYS G 3 151 ? 55.533 -26.528 -33.953 1.00 99.40 ? 166 LYS G CE 1 ATOM 10320 N NZ . LYS G 3 151 ? 55.203 -25.363 -33.075 1.00 108.70 1 166 LYS G NZ 1 ATOM 10321 N N . ASP G 3 152 ? 54.234 -23.157 -39.275 1.00 63.92 ? 167 ASP G N 1 ATOM 10322 C CA . ASP G 3 152 ? 54.137 -22.232 -40.405 1.00 63.85 ? 167 ASP G CA 1 ATOM 10323 C C . ASP G 3 152 ? 53.142 -21.119 -40.104 1.00 66.13 ? 167 ASP G C 1 ATOM 10324 O O . ASP G 3 152 ? 52.135 -21.350 -39.427 1.00 65.01 ? 167 ASP G O 1 ATOM 10325 C CB . ASP G 3 152 ? 53.712 -22.975 -41.680 1.00 64.86 ? 167 ASP G CB 1 ATOM 10326 C CG . ASP G 3 152 ? 54.743 -22.946 -42.790 1.00 77.05 ? 167 ASP G CG 1 ATOM 10327 O OD1 . ASP G 3 152 ? 54.980 -21.852 -43.354 1.00 78.58 ? 167 ASP G OD1 1 ATOM 10328 O OD2 . ASP G 3 152 ? 55.277 -24.022 -43.128 1.00 84.31 -1 167 ASP G OD2 1 ATOM 10329 N N . SER G 3 153 ? 53.423 -19.912 -40.615 1.00 62.42 ? 168 SER G N 1 ATOM 10330 C CA . SER G 3 153 ? 52.561 -18.743 -40.446 1.00 62.11 ? 168 SER G CA 1 ATOM 10331 C C . SER G 3 153 ? 51.339 -18.840 -41.363 1.00 62.40 ? 168 SER G C 1 ATOM 10332 O O . SER G 3 153 ? 50.270 -18.331 -41.019 1.00 61.87 ? 168 SER G O 1 ATOM 10333 C CB . SER G 3 153 ? 53.339 -17.463 -40.741 1.00 67.53 ? 168 SER G CB 1 ATOM 10334 N N . ASP G 3 154 ? 51.507 -19.504 -42.525 1.00 56.15 ? 169 ASP G N 1 ATOM 10335 C CA . ASP G 3 154 ? 50.481 -19.680 -43.554 1.00 54.42 ? 169 ASP G CA 1 ATOM 10336 C C . ASP G 3 154 ? 49.629 -20.942 -43.369 1.00 53.35 ? 169 ASP G C 1 ATOM 10337 O O . ASP G 3 154 ? 48.459 -20.925 -43.753 1.00 52.84 ? 169 ASP G O 1 ATOM 10338 C CB . ASP G 3 154 ? 51.133 -19.721 -44.945 1.00 56.59 ? 169 ASP G CB 1 ATOM 10339 C CG . ASP G 3 154 ? 51.884 -18.459 -45.325 1.00 70.52 ? 169 ASP G CG 1 ATOM 10340 O OD1 . ASP G 3 154 ? 51.393 -17.352 -45.000 1.00 72.74 ? 169 ASP G OD1 1 ATOM 10341 O OD2 . ASP G 3 154 ? 52.946 -18.575 -45.974 1.00 77.62 -1 169 ASP G OD2 1 ATOM 10342 N N . VAL G 3 155 ? 50.208 -22.031 -42.823 1.00 46.00 ? 170 VAL G N 1 ATOM 10343 C CA . VAL G 3 155 ? 49.504 -23.307 -42.645 1.00 43.02 ? 170 VAL G CA 1 ATOM 10344 C C . VAL G 3 155 ? 48.844 -23.377 -41.259 1.00 42.14 ? 170 VAL G C 1 ATOM 10345 O O . VAL G 3 155 ? 49.425 -22.925 -40.277 1.00 42.53 ? 170 VAL G O 1 ATOM 10346 C CB . VAL G 3 155 ? 50.432 -24.532 -42.897 1.00 46.44 ? 170 VAL G CB 1 ATOM 10347 C CG1 . VAL G 3 155 ? 49.645 -25.841 -42.908 1.00 45.18 ? 170 VAL G CG1 1 ATOM 10348 C CG2 . VAL G 3 155 ? 51.207 -24.380 -44.202 1.00 46.75 ? 170 VAL G CG2 1 ATOM 10349 N N . TYR G 3 156 ? 47.621 -23.941 -41.206 1.00 34.36 ? 171 TYR G N 1 ATOM 10350 C CA . TYR G 3 156 ? 46.825 -24.168 -39.999 1.00 31.89 ? 171 TYR G CA 1 ATOM 10351 C C . TYR G 3 156 ? 46.489 -25.651 -39.872 1.00 34.04 ? 171 TYR G C 1 ATOM 10352 O O . TYR G 3 156 ? 45.918 -26.214 -40.805 1.00 33.60 ? 171 TYR G O 1 ATOM 10353 C CB . TYR G 3 156 ? 45.521 -23.346 -40.030 1.00 32.27 ? 171 TYR G CB 1 ATOM 10354 C CG . TYR G 3 156 ? 45.715 -21.849 -40.024 1.00 33.90 ? 171 TYR G CG 1 ATOM 10355 C CD1 . TYR G 3 156 ? 45.904 -21.156 -38.834 1.00 35.60 ? 171 TYR G CD1 1 ATOM 10356 C CD2 . TYR G 3 156 ? 45.653 -21.114 -41.203 1.00 35.54 ? 171 TYR G CD2 1 ATOM 10357 C CE1 . TYR G 3 156 ? 46.077 -19.776 -38.822 1.00 37.12 ? 171 TYR G CE1 1 ATOM 10358 C CE2 . TYR G 3 156 ? 45.809 -19.730 -41.201 1.00 37.75 ? 171 TYR G CE2 1 ATOM 10359 C CZ . TYR G 3 156 ? 46.019 -19.063 -40.007 1.00 45.24 ? 171 TYR G CZ 1 ATOM 10360 O OH . TYR G 3 156 ? 46.177 -17.699 -39.997 1.00 48.59 ? 171 TYR G OH 1 ATOM 10361 N N . ILE G 3 157 ? 46.831 -26.283 -38.733 1.00 29.47 ? 172 ILE G N 1 ATOM 10362 C CA . ILE G 3 157 ? 46.521 -27.696 -38.467 1.00 28.59 ? 172 ILE G CA 1 ATOM 10363 C C . ILE G 3 157 ? 45.522 -27.776 -37.316 1.00 33.84 ? 172 ILE G C 1 ATOM 10364 O O . ILE G 3 157 ? 45.778 -27.221 -36.244 1.00 33.21 ? 172 ILE G O 1 ATOM 10365 C CB . ILE G 3 157 ? 47.764 -28.598 -38.152 1.00 31.59 ? 172 ILE G CB 1 ATOM 10366 C CG1 . ILE G 3 157 ? 49.036 -28.228 -38.982 1.00 32.51 ? 172 ILE G CG1 1 ATOM 10367 C CG2 . ILE G 3 157 ? 47.412 -30.090 -38.272 1.00 31.38 ? 172 ILE G CG2 1 ATOM 10368 C CD1 . ILE G 3 157 ? 49.174 -28.768 -40.391 1.00 41.81 ? 172 ILE G CD1 1 ATOM 10369 N N . THR G 3 158 ? 44.415 -28.454 -37.508 1.00 31.83 ? 173 THR G N 1 ATOM 10370 C CA . THR G 3 158 ? 43.453 -28.680 -36.473 1.00 32.44 ? 173 THR G CA 1 ATOM 10371 C C . THR G 3 158 ? 43.836 -29.839 -35.599 1.00 39.22 ? 173 THR G C 1 ATOM 10372 O O . THR G 3 158 ? 44.711 -30.599 -35.928 1.00 39.88 ? 173 THR G O 1 ATOM 10373 C CB . THR G 3 158 ? 42.054 -28.942 -37.027 1.00 41.24 ? 173 THR G CB 1 ATOM 10374 O OG1 . THR G 3 158 ? 41.949 -30.291 -37.482 1.00 40.86 ? 173 THR G OG1 1 ATOM 10375 C CG2 . THR G 3 158 ? 41.734 -27.984 -38.103 1.00 40.03 ? 173 THR G CG2 1 ATOM 10376 N N . ASP G 3 159 ? 43.159 -29.975 -34.484 1.00 37.33 ? 174 ASP G N 1 ATOM 10377 C CA . ASP G 3 159 ? 43.356 -31.121 -33.650 1.00 38.31 ? 174 ASP G CA 1 ATOM 10378 C C . ASP G 3 159 ? 42.742 -32.335 -34.301 1.00 43.55 ? 174 ASP G C 1 ATOM 10379 O O . ASP G 3 159 ? 41.894 -32.233 -35.155 1.00 42.74 ? 174 ASP G O 1 ATOM 10380 C CB . ASP G 3 159 ? 42.739 -30.901 -32.283 1.00 40.56 ? 174 ASP G CB 1 ATOM 10381 C CG . ASP G 3 159 ? 43.640 -30.130 -31.341 1.00 56.32 ? 174 ASP G CG 1 ATOM 10382 O OD1 . ASP G 3 159 ? 44.557 -29.412 -31.760 1.00 57.96 ? 174 ASP G OD1 1 ATOM 10383 O OD2 . ASP G 3 159 ? 43.400 -30.236 -30.142 1.00 63.94 -1 174 ASP G OD2 1 ATOM 10384 N N . LYS G 3 160 ? 43.190 -33.488 -33.849 1.00 41.56 ? 175 LYS G N 1 ATOM 10385 C CA . LYS G 3 160 ? 42.651 -34.758 -34.237 1.00 42.09 ? 175 LYS G CA 1 ATOM 10386 C C . LYS G 3 160 ? 41.201 -34.859 -33.775 1.00 47.51 ? 175 LYS G C 1 ATOM 10387 O O . LYS G 3 160 ? 40.800 -34.230 -32.830 1.00 46.69 ? 175 LYS G O 1 ATOM 10388 C CB . LYS G 3 160 ? 43.524 -35.868 -33.656 1.00 44.99 ? 175 LYS G CB 1 ATOM 10389 C CG . LYS G 3 160 ? 42.831 -37.026 -32.933 1.00 60.01 ? 175 LYS G CG 1 ATOM 10390 C CD . LYS G 3 160 ? 43.549 -37.398 -31.649 1.00 70.63 ? 175 LYS G CD 1 ATOM 10391 C CE . LYS G 3 160 ? 43.830 -38.884 -31.600 1.00 80.42 ? 175 LYS G CE 1 ATOM 10392 N NZ . LYS G 3 160 ? 44.990 -39.221 -30.749 1.00 88.09 1 175 LYS G NZ 1 ATOM 10393 N N . CYS G 3 161 ? 40.415 -35.642 -34.482 1.00 45.83 ? 176 CYS G N 1 ATOM 10394 C CA . CYS G 3 161 ? 38.985 -35.714 -34.193 1.00 46.23 ? 176 CYS G CA 1 ATOM 10395 C C . CYS G 3 161 ? 38.439 -37.057 -34.668 1.00 51.30 ? 176 CYS G C 1 ATOM 10396 O O . CYS G 3 161 ? 38.806 -37.515 -35.749 1.00 51.62 ? 176 CYS G O 1 ATOM 10397 C CB . CYS G 3 161 ? 38.275 -34.539 -34.861 1.00 46.79 ? 176 CYS G CB 1 ATOM 10398 S SG . CYS G 3 161 ? 36.474 -34.561 -34.706 1.00 51.34 ? 176 CYS G SG 1 ATOM 10399 N N . VAL G 3 162 ? 37.575 -37.695 -33.868 1.00 48.48 ? 177 VAL G N 1 ATOM 10400 C CA . VAL G 3 162 ? 37.025 -39.002 -34.232 1.00 49.79 ? 177 VAL G CA 1 ATOM 10401 C C . VAL G 3 162 ? 35.564 -38.899 -34.652 1.00 55.53 ? 177 VAL G C 1 ATOM 10402 O O . VAL G 3 162 ? 34.766 -38.262 -33.964 1.00 55.03 ? 177 VAL G O 1 ATOM 10403 C CB . VAL G 3 162 ? 37.171 -40.079 -33.124 1.00 54.28 ? 177 VAL G CB 1 ATOM 10404 C CG1 . VAL G 3 162 ? 37.407 -41.455 -33.738 1.00 55.23 ? 177 VAL G CG1 1 ATOM 10405 C CG2 . VAL G 3 162 ? 38.268 -39.732 -32.121 1.00 53.57 ? 177 VAL G CG2 1 ATOM 10406 N N . LEU G 3 163 ? 35.211 -39.567 -35.761 1.00 53.70 ? 178 LEU G N 1 ATOM 10407 C CA . LEU G 3 163 ? 33.829 -39.660 -36.238 1.00 54.80 ? 178 LEU G CA 1 ATOM 10408 C C . LEU G 3 163 ? 33.409 -41.134 -36.259 1.00 60.50 ? 178 LEU G C 1 ATOM 10409 O O . LEU G 3 163 ? 34.269 -42.018 -36.354 1.00 59.57 ? 178 LEU G O 1 ATOM 10410 C CB . LEU G 3 163 ? 33.601 -38.984 -37.612 1.00 55.24 ? 178 LEU G CB 1 ATOM 10411 C CG . LEU G 3 163 ? 34.515 -39.358 -38.777 1.00 60.01 ? 178 LEU G CG 1 ATOM 10412 C CD1 . LEU G 3 163 ? 33.967 -40.544 -39.542 1.00 61.86 ? 178 LEU G CD1 1 ATOM 10413 C CD2 . LEU G 3 163 ? 34.666 -38.191 -39.727 1.00 62.03 ? 178 LEU G CD2 1 ATOM 10414 N N . ASP G 3 164 ? 32.097 -41.395 -36.167 1.00 59.46 ? 179 ASP G N 1 ATOM 10415 C CA . ASP G 3 164 ? 31.579 -42.758 -36.171 1.00 61.67 ? 179 ASP G CA 1 ATOM 10416 C C . ASP G 3 164 ? 30.469 -42.918 -37.197 1.00 68.15 ? 179 ASP G C 1 ATOM 10417 O O . ASP G 3 164 ? 29.423 -42.278 -37.089 1.00 67.96 ? 179 ASP G O 1 ATOM 10418 C CB . ASP G 3 164 ? 31.084 -43.163 -34.762 1.00 63.94 ? 179 ASP G CB 1 ATOM 10419 C CG . ASP G 3 164 ? 30.506 -44.571 -34.625 1.00 79.44 ? 179 ASP G CG 1 ATOM 10420 O OD1 . ASP G 3 164 ? 30.970 -45.485 -35.352 1.00 81.88 ? 179 ASP G OD1 1 ATOM 10421 O OD2 . ASP G 3 164 ? 29.613 -44.765 -33.764 1.00 85.72 -1 179 ASP G OD2 1 ATOM 10422 N N . MET G 3 165 ? 30.706 -43.780 -38.190 1.00 66.88 ? 180 MET G N 1 ATOM 10423 C CA . MET G 3 165 ? 29.731 -44.137 -39.215 1.00 69.21 ? 180 MET G CA 1 ATOM 10424 C C . MET G 3 165 ? 28.887 -45.260 -38.613 1.00 76.35 ? 180 MET G C 1 ATOM 10425 O O . MET G 3 165 ? 29.382 -46.378 -38.463 1.00 76.86 ? 180 MET G O 1 ATOM 10426 C CB . MET G 3 165 ? 30.430 -44.541 -40.531 1.00 72.07 ? 180 MET G CB 1 ATOM 10427 C CG . MET G 3 165 ? 31.097 -43.372 -41.244 1.00 74.32 ? 180 MET G CG 1 ATOM 10428 S SD . MET G 3 165 ? 32.071 -43.829 -42.704 1.00 78.83 ? 180 MET G SD 1 ATOM 10429 C CE . MET G 3 165 ? 30.769 -44.014 -43.922 1.00 77.94 ? 180 MET G CE 1 ATOM 10430 N N . ARG G 3 166 ? 27.661 -44.923 -38.154 1.00 74.43 ? 181 ARG G N 1 ATOM 10431 C CA . ARG G 3 166 ? 26.725 -45.831 -37.474 1.00 76.09 ? 181 ARG G CA 1 ATOM 10432 C C . ARG G 3 166 ? 26.314 -47.035 -38.339 1.00 82.26 ? 181 ARG G C 1 ATOM 10433 O O . ARG G 3 166 ? 26.320 -48.163 -37.841 1.00 82.58 ? 181 ARG G O 1 ATOM 10434 C CB . ARG G 3 166 ? 25.470 -45.066 -37.020 1.00 77.44 ? 181 ARG G CB 1 ATOM 10435 C CG . ARG G 3 166 ? 25.283 -45.008 -35.502 1.00 88.51 ? 181 ARG G CG 1 ATOM 10436 C CD . ARG G 3 166 ? 24.024 -44.247 -35.108 1.00 99.83 ? 181 ARG G CD 1 ATOM 10437 N NE . ARG G 3 166 ? 22.804 -44.904 -35.589 1.00 113.40 ? 181 ARG G NE 1 ATOM 10438 C CZ . ARG G 3 166 ? 21.666 -44.274 -35.870 1.00 129.81 ? 181 ARG G CZ 1 ATOM 10439 N NH1 . ARG G 3 166 ? 20.614 -44.955 -36.305 1.00 119.66 1 181 ARG G NH1 1 ATOM 10440 N NH2 . ARG G 3 166 ? 21.572 -42.958 -35.723 1.00 115.78 ? 181 ARG G NH2 1 ATOM 10441 N N . SER G 3 167 ? 25.968 -46.795 -39.619 1.00 80.21 ? 182 SER G N 1 ATOM 10442 C CA . SER G 3 167 ? 25.537 -47.823 -40.572 1.00 82.74 ? 182 SER G CA 1 ATOM 10443 C C . SER G 3 167 ? 26.623 -48.877 -40.832 1.00 86.64 ? 182 SER G C 1 ATOM 10444 O O . SER G 3 167 ? 26.303 -50.060 -40.951 1.00 88.74 ? 182 SER G O 1 ATOM 10445 C CB . SER G 3 167 ? 25.123 -47.182 -41.893 1.00 87.28 ? 182 SER G CB 1 ATOM 10446 N N . MET G 3 168 ? 27.893 -48.448 -40.909 1.00 80.56 ? 183 MET G N 1 ATOM 10447 C CA . MET G 3 168 ? 29.041 -49.320 -41.171 1.00 80.24 ? 183 MET G CA 1 ATOM 10448 C C . MET G 3 168 ? 29.727 -49.805 -39.885 1.00 81.53 ? 183 MET G C 1 ATOM 10449 O O . MET G 3 168 ? 30.554 -50.720 -39.952 1.00 81.51 ? 183 MET G O 1 ATOM 10450 C CB . MET G 3 168 ? 30.077 -48.585 -42.042 1.00 81.26 ? 183 MET G CB 1 ATOM 10451 C CG . MET G 3 168 ? 29.654 -48.380 -43.480 1.00 86.60 ? 183 MET G CG 1 ATOM 10452 S SD . MET G 3 168 ? 31.109 -48.160 -44.528 1.00 90.10 ? 183 MET G SD 1 ATOM 10453 C CE . MET G 3 168 ? 30.383 -47.349 -45.926 1.00 87.76 ? 183 MET G CE 1 ATOM 10454 N N . ASP G 3 169 ? 29.405 -49.177 -38.728 1.00 75.71 ? 184 ASP G N 1 ATOM 10455 C CA . ASP G 3 169 ? 30.009 -49.426 -37.407 1.00 74.05 ? 184 ASP G CA 1 ATOM 10456 C C . ASP G 3 169 ? 31.528 -49.185 -37.482 1.00 73.68 ? 184 ASP G C 1 ATOM 10457 O O . ASP G 3 169 ? 32.331 -49.922 -36.899 1.00 73.34 ? 184 ASP G O 1 ATOM 10458 C CB . ASP G 3 169 ? 29.671 -50.826 -36.877 1.00 78.49 ? 184 ASP G CB 1 ATOM 10459 C CG . ASP G 3 169 ? 28.608 -50.806 -35.804 1.00 92.52 ? 184 ASP G CG 1 ATOM 10460 O OD1 . ASP G 3 169 ? 28.914 -50.358 -34.672 1.00 91.75 ? 184 ASP G OD1 1 ATOM 10461 O OD2 . ASP G 3 169 ? 27.478 -51.271 -36.080 1.00 101.63 -1 184 ASP G OD2 1 ATOM 10462 N N . PHE G 3 170 ? 31.897 -48.126 -38.220 1.00 66.67 ? 185 PHE G N 1 ATOM 10463 C CA . PHE G 3 170 ? 33.265 -47.724 -38.501 1.00 63.86 ? 185 PHE G CA 1 ATOM 10464 C C . PHE G 3 170 ? 33.614 -46.405 -37.802 1.00 62.54 ? 185 PHE G C 1 ATOM 10465 O O . PHE G 3 170 ? 32.888 -45.418 -37.914 1.00 61.23 ? 185 PHE G O 1 ATOM 10466 C CB . PHE G 3 170 ? 33.461 -47.612 -40.029 1.00 66.13 ? 185 PHE G CB 1 ATOM 10467 C CG . PHE G 3 170 ? 34.793 -47.070 -40.496 1.00 66.24 ? 185 PHE G CG 1 ATOM 10468 C CD1 . PHE G 3 170 ? 35.945 -47.843 -40.414 1.00 69.62 ? 185 PHE G CD1 1 ATOM 10469 C CD2 . PHE G 3 170 ? 34.889 -45.795 -41.040 1.00 66.97 ? 185 PHE G CD2 1 ATOM 10470 C CE1 . PHE G 3 170 ? 37.176 -47.339 -40.839 1.00 69.44 ? 185 PHE G CE1 1 ATOM 10471 C CE2 . PHE G 3 170 ? 36.118 -45.295 -41.473 1.00 68.74 ? 185 PHE G CE2 1 ATOM 10472 C CZ . PHE G 3 170 ? 37.254 -46.069 -41.366 1.00 67.07 ? 185 PHE G CZ 1 ATOM 10473 N N . LYS G 3 171 ? 34.742 -46.409 -37.087 1.00 55.91 ? 186 LYS G N 1 ATOM 10474 C CA . LYS G 3 171 ? 35.277 -45.255 -36.376 1.00 52.80 ? 186 LYS G CA 1 ATOM 10475 C C . LYS G 3 171 ? 36.621 -44.868 -36.997 1.00 54.10 ? 186 LYS G C 1 ATOM 10476 O O . LYS G 3 171 ? 37.449 -45.751 -37.257 1.00 54.26 ? 186 LYS G O 1 ATOM 10477 C CB . LYS G 3 171 ? 35.418 -45.567 -34.878 1.00 54.53 ? 186 LYS G CB 1 ATOM 10478 C CG . LYS G 3 171 ? 34.453 -44.776 -34.007 1.00 65.31 ? 186 LYS G CG 1 ATOM 10479 C CD . LYS G 3 171 ? 33.804 -45.641 -32.933 1.00 73.56 ? 186 LYS G CD 1 ATOM 10480 C CE . LYS G 3 171 ? 33.006 -44.814 -31.954 1.00 76.05 ? 186 LYS G CE 1 ATOM 10481 N NZ . LYS G 3 171 ? 32.008 -45.633 -31.219 1.00 82.06 1 186 LYS G NZ 1 ATOM 10482 N N . SER G 3 172 ? 36.825 -43.558 -37.269 1.00 47.94 ? 187 SER G N 1 ATOM 10483 C CA . SER G 3 172 ? 38.073 -43.065 -37.854 1.00 46.52 ? 187 SER G CA 1 ATOM 10484 C C . SER G 3 172 ? 38.506 -41.698 -37.306 1.00 47.60 ? 187 SER G C 1 ATOM 10485 O O . SER G 3 172 ? 37.673 -40.820 -37.054 1.00 46.74 ? 187 SER G O 1 ATOM 10486 C CB . SER G 3 172 ? 37.975 -42.990 -39.374 1.00 50.69 ? 187 SER G CB 1 ATOM 10487 O OG . SER G 3 172 ? 37.042 -42.011 -39.801 1.00 58.84 ? 187 SER G OG 1 ATOM 10488 N N . ASN G 3 173 ? 39.830 -41.536 -37.153 1.00 42.34 ? 188 ASN G N 1 ATOM 10489 C CA . ASN G 3 173 ? 40.500 -40.314 -36.715 1.00 40.31 ? 188 ASN G CA 1 ATOM 10490 C C . ASN G 3 173 ? 40.831 -39.445 -37.928 1.00 43.12 ? 188 ASN G C 1 ATOM 10491 O O . ASN G 3 173 ? 41.155 -39.981 -38.991 1.00 43.44 ? 188 ASN G O 1 ATOM 10492 C CB . ASN G 3 173 ? 41.787 -40.647 -35.949 1.00 39.13 ? 188 ASN G CB 1 ATOM 10493 C CG . ASN G 3 173 ? 41.616 -41.378 -34.642 1.00 55.71 ? 188 ASN G CG 1 ATOM 10494 O OD1 . ASN G 3 173 ? 40.738 -41.080 -33.828 1.00 45.94 ? 188 ASN G OD1 1 ATOM 10495 N ND2 . ASN G 3 173 ? 42.530 -42.287 -34.367 1.00 47.44 ? 188 ASN G ND2 1 ATOM 10496 N N . SER G 3 174 ? 40.763 -38.110 -37.774 1.00 37.89 ? 189 SER G N 1 ATOM 10497 C CA . SER G 3 174 ? 41.073 -37.174 -38.860 1.00 37.05 ? 189 SER G CA 1 ATOM 10498 C C . SER G 3 174 ? 41.631 -35.837 -38.341 1.00 39.71 ? 189 SER G C 1 ATOM 10499 O O . SER G 3 174 ? 41.285 -35.392 -37.242 1.00 39.10 ? 189 SER G O 1 ATOM 10500 C CB . SER G 3 174 ? 39.847 -36.924 -39.740 1.00 40.45 ? 189 SER G CB 1 ATOM 10501 O OG . SER G 3 174 ? 38.726 -36.472 -38.997 1.00 48.42 ? 189 SER G OG 1 ATOM 10502 N N . ALA G 3 175 ? 42.499 -35.206 -39.159 1.00 35.18 ? 190 ALA G N 1 ATOM 10503 C CA . ALA G 3 175 ? 43.117 -33.904 -38.909 1.00 33.59 ? 190 ALA G CA 1 ATOM 10504 C C . ALA G 3 175 ? 43.139 -33.086 -40.212 1.00 35.72 ? 190 ALA G C 1 ATOM 10505 O O . ALA G 3 175 ? 43.547 -33.593 -41.258 1.00 34.89 ? 190 ALA G O 1 ATOM 10506 C CB . ALA G 3 175 ? 44.520 -34.086 -38.358 1.00 34.14 ? 190 ALA G CB 1 ATOM 10507 N N . VAL G 3 176 ? 42.677 -31.834 -40.149 1.00 31.71 ? 191 VAL G N 1 ATOM 10508 C CA . VAL G 3 176 ? 42.593 -30.943 -41.315 1.00 31.35 ? 191 VAL G CA 1 ATOM 10509 C C . VAL G 3 176 ? 43.726 -29.902 -41.282 1.00 33.93 ? 191 VAL G C 1 ATOM 10510 O O . VAL G 3 176 ? 44.071 -29.365 -40.230 1.00 32.56 ? 191 VAL G O 1 ATOM 10511 C CB . VAL G 3 176 ? 41.187 -30.263 -41.403 1.00 35.60 ? 191 VAL G CB 1 ATOM 10512 C CG1 . VAL G 3 176 ? 41.091 -29.296 -42.577 1.00 36.28 ? 191 VAL G CG1 1 ATOM 10513 C CG2 . VAL G 3 176 ? 40.070 -31.298 -41.489 1.00 35.70 ? 191 VAL G CG2 1 ATOM 10514 N N . ALA G 3 177 ? 44.292 -29.635 -42.457 1.00 31.09 ? 192 ALA G N 1 ATOM 10515 C CA . ALA G 3 177 ? 45.314 -28.624 -42.695 1.00 31.18 ? 192 ALA G CA 1 ATOM 10516 C C . ALA G 3 177 ? 44.853 -27.713 -43.814 1.00 36.29 ? 192 ALA G C 1 ATOM 10517 O O . ALA G 3 177 ? 44.285 -28.203 -44.790 1.00 34.71 ? 192 ALA G O 1 ATOM 10518 C CB . ALA G 3 177 ? 46.636 -29.274 -43.061 1.00 31.62 ? 192 ALA G CB 1 ATOM 10519 N N . TRP G 3 178 ? 45.064 -26.397 -43.674 1.00 35.37 ? 193 TRP G N 1 ATOM 10520 C CA . TRP G 3 178 ? 44.711 -25.450 -44.729 1.00 36.70 ? 193 TRP G CA 1 ATOM 10521 C C . TRP G 3 178 ? 45.672 -24.248 -44.765 1.00 43.20 ? 193 TRP G C 1 ATOM 10522 O O . TRP G 3 178 ? 46.362 -23.967 -43.783 1.00 42.17 ? 193 TRP G O 1 ATOM 10523 C CB . TRP G 3 178 ? 43.239 -24.998 -44.650 1.00 35.74 ? 193 TRP G CB 1 ATOM 10524 C CG . TRP G 3 178 ? 42.925 -23.994 -43.585 1.00 36.99 ? 193 TRP G CG 1 ATOM 10525 C CD1 . TRP G 3 178 ? 42.899 -22.636 -43.720 1.00 41.11 ? 193 TRP G CD1 1 ATOM 10526 C CD2 . TRP G 3 178 ? 42.484 -24.275 -42.257 1.00 35.93 ? 193 TRP G CD2 1 ATOM 10527 N NE1 . TRP G 3 178 ? 42.520 -22.051 -42.536 1.00 40.47 ? 193 TRP G NE1 1 ATOM 10528 C CE2 . TRP G 3 178 ? 42.259 -23.035 -41.619 1.00 40.49 ? 193 TRP G CE2 1 ATOM 10529 C CE3 . TRP G 3 178 ? 42.300 -25.456 -41.525 1.00 36.08 ? 193 TRP G CE3 1 ATOM 10530 C CZ2 . TRP G 3 178 ? 41.856 -22.942 -40.287 1.00 39.45 ? 193 TRP G CZ2 1 ATOM 10531 C CZ3 . TRP G 3 178 ? 41.862 -25.361 -40.213 1.00 37.27 ? 193 TRP G CZ3 1 ATOM 10532 C CH2 . TRP G 3 178 ? 41.636 -24.117 -39.609 1.00 38.53 ? 193 TRP G CH2 1 ATOM 10533 N N . SER G 3 179 ? 45.721 -23.571 -45.928 1.00 42.90 ? 194 SER G N 1 ATOM 10534 C CA . SER G 3 179 ? 46.529 -22.384 -46.214 1.00 44.83 ? 194 SER G CA 1 ATOM 10535 C C . SER G 3 179 ? 45.923 -21.611 -47.390 1.00 53.07 ? 194 SER G C 1 ATOM 10536 O O . SER G 3 179 ? 45.114 -22.173 -48.133 1.00 52.74 ? 194 SER G O 1 ATOM 10537 C CB . SER G 3 179 ? 47.971 -22.780 -46.520 1.00 47.83 ? 194 SER G CB 1 ATOM 10538 O OG . SER G 3 179 ? 48.755 -21.665 -46.910 1.00 58.22 ? 194 SER G OG 1 ATOM 10539 N N . ASN G 3 180 ? 46.316 -20.327 -47.551 1.00 53.33 ? 195 ASN G N 1 ATOM 10540 C CA . ASN G 3 180 ? 45.880 -19.436 -48.640 1.00 55.74 ? 195 ASN G CA 1 ATOM 10541 C C . ASN G 3 180 ? 46.916 -19.422 -49.786 1.00 62.10 ? 195 ASN G C 1 ATOM 10542 O O . ASN G 3 180 ? 46.624 -18.921 -50.877 1.00 63.03 ? 195 ASN G O 1 ATOM 10543 C CB . ASN G 3 180 ? 45.626 -18.006 -48.118 1.00 58.55 ? 195 ASN G CB 1 ATOM 10544 C CG . ASN G 3 180 ? 46.843 -17.319 -47.535 1.00 82.41 ? 195 ASN G CG 1 ATOM 10545 O OD1 . ASN G 3 180 ? 47.262 -17.590 -46.404 1.00 76.60 ? 195 ASN G OD1 1 ATOM 10546 N ND2 . ASN G 3 180 ? 47.424 -16.397 -48.286 1.00 76.17 ? 195 ASN G ND2 1 ATOM 10547 N N . LYS G 3 181 ? 48.120 -19.974 -49.523 1.00 59.42 ? 196 LYS G N 1 ATOM 10548 C CA . LYS G 3 181 ? 49.240 -20.062 -50.460 1.00 60.28 ? 196 LYS G CA 1 ATOM 10549 C C . LYS G 3 181 ? 48.929 -21.006 -51.640 1.00 65.87 ? 196 LYS G C 1 ATOM 10550 O O . LYS G 3 181 ? 48.269 -22.034 -51.457 1.00 64.65 ? 196 LYS G O 1 ATOM 10551 C CB . LYS G 3 181 ? 50.506 -20.534 -49.723 1.00 61.82 ? 196 LYS G CB 1 ATOM 10552 N N . SER G 3 182 ? 49.399 -20.635 -52.851 1.00 64.41 ? 197 SER G N 1 ATOM 10553 C CA . SER G 3 182 ? 49.230 -21.416 -54.082 1.00 64.38 ? 197 SER G CA 1 ATOM 10554 C C . SER G 3 182 ? 50.223 -22.578 -54.117 1.00 67.66 ? 197 SER G C 1 ATOM 10555 O O . SER G 3 182 ? 49.920 -23.637 -54.672 1.00 66.34 ? 197 SER G O 1 ATOM 10556 C CB . SER G 3 182 ? 49.420 -20.527 -55.306 1.00 69.59 ? 197 SER G CB 1 ATOM 10557 N N . ASP G 3 183 ? 51.405 -22.371 -53.498 1.00 64.88 ? 198 ASP G N 1 ATOM 10558 C CA . ASP G 3 183 ? 52.498 -23.340 -53.383 1.00 64.04 ? 198 ASP G CA 1 ATOM 10559 C C . ASP G 3 183 ? 52.241 -24.356 -52.239 1.00 65.54 ? 198 ASP G C 1 ATOM 10560 O O . ASP G 3 183 ? 53.106 -25.200 -51.966 1.00 64.81 ? 198 ASP G O 1 ATOM 10561 C CB . ASP G 3 183 ? 53.837 -22.599 -53.161 1.00 67.10 ? 198 ASP G CB 1 ATOM 10562 C CG . ASP G 3 183 ? 53.926 -21.850 -51.841 1.00 81.77 ? 198 ASP G CG 1 ATOM 10563 O OD1 . ASP G 3 183 ? 53.425 -20.705 -51.772 1.00 83.89 ? 198 ASP G OD1 1 ATOM 10564 O OD2 . ASP G 3 183 ? 54.495 -22.411 -50.877 1.00 88.76 -1 198 ASP G OD2 1 ATOM 10565 N N . PHE G 3 184 ? 51.061 -24.273 -51.579 1.00 60.29 ? 199 PHE G N 1 ATOM 10566 C CA . PHE G 3 184 ? 50.689 -25.157 -50.477 1.00 58.28 ? 199 PHE G CA 1 ATOM 10567 C C . PHE G 3 184 ? 50.510 -26.590 -50.976 1.00 59.95 ? 199 PHE G C 1 ATOM 10568 O O . PHE G 3 184 ? 49.715 -26.857 -51.883 1.00 59.59 ? 199 PHE G O 1 ATOM 10569 C CB . PHE G 3 184 ? 49.423 -24.653 -49.748 1.00 60.03 ? 199 PHE G CB 1 ATOM 10570 C CG . PHE G 3 184 ? 48.870 -25.547 -48.656 1.00 60.20 ? 199 PHE G CG 1 ATOM 10571 C CD1 . PHE G 3 184 ? 49.628 -25.847 -47.526 1.00 62.57 ? 199 PHE G CD1 1 ATOM 10572 C CD2 . PHE G 3 184 ? 47.576 -26.044 -48.731 1.00 61.67 ? 199 PHE G CD2 1 ATOM 10573 C CE1 . PHE G 3 184 ? 49.108 -26.658 -46.509 1.00 62.41 ? 199 PHE G CE1 1 ATOM 10574 C CE2 . PHE G 3 184 ? 47.057 -26.852 -47.712 1.00 63.52 ? 199 PHE G CE2 1 ATOM 10575 C CZ . PHE G 3 184 ? 47.828 -27.156 -46.610 1.00 60.98 ? 199 PHE G CZ 1 ATOM 10576 N N . ALA G 3 185 ? 51.301 -27.490 -50.396 1.00 54.75 ? 200 ALA G N 1 ATOM 10577 C CA . ALA G 3 185 ? 51.299 -28.919 -50.683 1.00 53.37 ? 200 ALA G CA 1 ATOM 10578 C C . ALA G 3 185 ? 51.049 -29.683 -49.398 1.00 55.12 ? 200 ALA G C 1 ATOM 10579 O O . ALA G 3 185 ? 51.428 -29.212 -48.324 1.00 54.58 ? 200 ALA G O 1 ATOM 10580 C CB . ALA G 3 185 ? 52.628 -29.330 -51.296 1.00 54.19 ? 200 ALA G CB 1 ATOM 10581 N N . CYS G 3 186 ? 50.405 -30.849 -49.498 1.00 50.29 ? 201 CYS G N 1 ATOM 10582 C CA . CYS G 3 186 ? 50.103 -31.687 -48.340 1.00 49.17 ? 201 CYS G CA 1 ATOM 10583 C C . CYS G 3 186 ? 51.377 -32.318 -47.757 1.00 54.28 ? 201 CYS G C 1 ATOM 10584 O O . CYS G 3 186 ? 51.428 -32.571 -46.553 1.00 53.39 ? 201 CYS G O 1 ATOM 10585 C CB . CYS G 3 186 ? 49.076 -32.751 -48.706 1.00 48.76 ? 201 CYS G CB 1 ATOM 10586 S SG . CYS G 3 186 ? 47.487 -32.093 -49.274 1.00 52.47 ? 201 CYS G SG 1 ATOM 10587 N N . ALA G 3 187 ? 52.398 -32.558 -48.611 1.00 52.68 ? 202 ALA G N 1 ATOM 10588 C CA . ALA G 3 187 ? 53.689 -33.142 -48.240 1.00 53.68 ? 202 ALA G CA 1 ATOM 10589 C C . ALA G 3 187 ? 54.435 -32.290 -47.196 1.00 59.41 ? 202 ALA G C 1 ATOM 10590 O O . ALA G 3 187 ? 55.009 -32.851 -46.261 1.00 59.58 ? 202 ALA G O 1 ATOM 10591 C CB . ALA G 3 187 ? 54.557 -33.328 -49.478 1.00 54.86 ? 202 ALA G CB 1 ATOM 10592 N N . ASN G 3 188 ? 54.421 -30.948 -47.345 1.00 57.17 ? 203 ASN G N 1 ATOM 10593 C CA . ASN G 3 188 ? 55.085 -30.045 -46.397 1.00 57.85 ? 203 ASN G CA 1 ATOM 10594 C C . ASN G 3 188 ? 54.098 -29.546 -45.326 1.00 61.82 ? 203 ASN G C 1 ATOM 10595 O O . ASN G 3 188 ? 54.505 -28.833 -44.402 1.00 62.24 ? 203 ASN G O 1 ATOM 10596 C CB . ASN G 3 188 ? 55.798 -28.867 -47.099 1.00 59.08 ? 203 ASN G CB 1 ATOM 10597 C CG . ASN G 3 188 ? 55.135 -28.321 -48.340 1.00 79.11 ? 203 ASN G CG 1 ATOM 10598 O OD1 . ASN G 3 188 ? 54.043 -27.741 -48.299 1.00 75.65 ? 203 ASN G OD1 1 ATOM 10599 N ND2 . ASN G 3 188 ? 55.830 -28.428 -49.464 1.00 68.68 ? 203 ASN G ND2 1 ATOM 10600 N N . ALA G 3 189 ? 52.818 -29.962 -45.422 1.00 57.54 ? 204 ALA G N 1 ATOM 10601 C CA . ALA G 3 189 ? 51.789 -29.586 -44.454 1.00 56.99 ? 204 ALA G CA 1 ATOM 10602 C C . ALA G 3 189 ? 51.929 -30.384 -43.152 1.00 60.74 ? 204 ALA G C 1 ATOM 10603 O O . ALA G 3 189 ? 51.863 -29.794 -42.076 1.00 60.33 ? 204 ALA G O 1 ATOM 10604 C CB . ALA G 3 189 ? 50.402 -29.785 -45.049 1.00 57.23 ? 204 ALA G CB 1 ATOM 10605 N N . PHE G 3 190 ? 52.145 -31.710 -43.249 1.00 57.42 ? 205 PHE G N 1 ATOM 10606 C CA . PHE G 3 190 ? 52.259 -32.593 -42.087 1.00 57.55 ? 205 PHE G CA 1 ATOM 10607 C C . PHE G 3 190 ? 53.673 -33.202 -41.930 1.00 64.52 ? 205 PHE G C 1 ATOM 10608 O O . PHE G 3 190 ? 53.826 -34.203 -41.219 1.00 64.27 ? 205 PHE G O 1 ATOM 10609 C CB . PHE G 3 190 ? 51.214 -33.722 -42.187 1.00 58.47 ? 205 PHE G CB 1 ATOM 10610 C CG . PHE G 3 190 ? 49.764 -33.303 -42.131 1.00 58.89 ? 205 PHE G CG 1 ATOM 10611 C CD1 . PHE G 3 190 ? 49.135 -33.076 -40.913 1.00 61.33 ? 205 PHE G CD1 1 ATOM 10612 C CD2 . PHE G 3 190 ? 49.004 -33.213 -43.293 1.00 60.50 ? 205 PHE G CD2 1 ATOM 10613 C CE1 . PHE G 3 190 ? 47.784 -32.717 -40.860 1.00 61.74 ? 205 PHE G CE1 1 ATOM 10614 C CE2 . PHE G 3 190 ? 47.651 -32.858 -43.239 1.00 62.94 ? 205 PHE G CE2 1 ATOM 10615 C CZ . PHE G 3 190 ? 47.050 -32.615 -42.023 1.00 60.70 ? 205 PHE G CZ 1 ATOM 10616 N N . ASN G 3 191 ? 54.701 -32.591 -42.562 1.00 63.39 ? 206 ASN G N 1 ATOM 10617 C CA . ASN G 3 191 ? 56.090 -33.075 -42.511 1.00 64.99 ? 206 ASN G CA 1 ATOM 10618 C C . ASN G 3 191 ? 56.647 -33.064 -41.065 1.00 70.47 ? 206 ASN G C 1 ATOM 10619 O O . ASN G 3 191 ? 57.264 -34.047 -40.641 1.00 70.94 ? 206 ASN G O 1 ATOM 10620 C CB . ASN G 3 191 ? 57.007 -32.274 -43.471 1.00 68.24 ? 206 ASN G CB 1 ATOM 10621 C CG . ASN G 3 191 ? 57.318 -30.839 -43.079 1.00 98.81 ? 206 ASN G CG 1 ATOM 10622 O OD1 . ASN G 3 191 ? 56.462 -30.086 -42.593 1.00 93.15 ? 206 ASN G OD1 1 ATOM 10623 N ND2 . ASN G 3 191 ? 58.563 -30.429 -43.285 1.00 93.66 ? 206 ASN G ND2 1 ATOM 10624 N N . ASN G 3 192 ? 56.398 -31.974 -40.314 1.00 67.09 ? 207 ASN G N 1 ATOM 10625 C CA . ASN G 3 192 ? 56.845 -31.820 -38.932 1.00 67.72 ? 207 ASN G CA 1 ATOM 10626 C C . ASN G 3 192 ? 55.646 -31.510 -38.016 1.00 69.97 ? 207 ASN G C 1 ATOM 10627 O O . ASN G 3 192 ? 55.784 -30.782 -37.026 1.00 70.16 ? 207 ASN G O 1 ATOM 10628 C CB . ASN G 3 192 ? 57.937 -30.740 -38.833 1.00 71.67 ? 207 ASN G CB 1 ATOM 10629 C CG . ASN G 3 192 ? 59.354 -31.268 -38.929 1.00 102.60 ? 207 ASN G CG 1 ATOM 10630 O OD1 . ASN G 3 192 ? 59.743 -32.234 -38.255 1.00 99.32 ? 207 ASN G OD1 1 ATOM 10631 N ND2 . ASN G 3 192 ? 60.174 -30.610 -39.736 1.00 95.91 ? 207 ASN G ND2 1 ATOM 10632 N N . SER G 3 193 ? 54.476 -32.100 -38.340 1.00 64.58 ? 208 SER G N 1 ATOM 10633 C CA . SER G 3 193 ? 53.238 -31.926 -37.582 1.00 63.23 ? 208 SER G CA 1 ATOM 10634 C C . SER G 3 193 ? 52.752 -33.238 -36.955 1.00 64.72 ? 208 SER G C 1 ATOM 10635 O O . SER G 3 193 ? 52.104 -33.189 -35.914 1.00 63.88 ? 208 SER G O 1 ATOM 10636 C CB . SER G 3 193 ? 52.145 -31.329 -38.460 1.00 66.63 ? 208 SER G CB 1 ATOM 10637 O OG . SER G 3 193 ? 52.449 -29.981 -38.780 1.00 77.51 ? 208 SER G OG 1 ATOM 10638 N N . ILE G 3 194 ? 53.071 -34.401 -37.562 1.00 59.96 ? 209 ILE G N 1 ATOM 10639 C CA . ILE G 3 194 ? 52.651 -35.705 -37.033 1.00 59.15 ? 209 ILE G CA 1 ATOM 10640 C C . ILE G 3 194 ? 53.519 -36.083 -35.798 1.00 62.45 ? 209 ILE G C 1 ATOM 10641 O O . ILE G 3 194 ? 54.751 -36.075 -35.875 1.00 62.79 ? 209 ILE G O 1 ATOM 10642 C CB . ILE G 3 194 ? 52.624 -36.811 -38.133 1.00 62.39 ? 209 ILE G CB 1 ATOM 10643 C CG1 . ILE G 3 194 ? 52.144 -38.172 -37.546 1.00 63.19 ? 209 ILE G CG1 1 ATOM 10644 C CG2 . ILE G 3 194 ? 53.966 -36.920 -38.906 1.00 64.26 ? 209 ILE G CG2 1 ATOM 10645 C CD1 . ILE G 3 194 ? 51.918 -39.325 -38.537 1.00 73.47 ? 209 ILE G CD1 1 ATOM 10646 N N . ILE G 3 195 ? 52.850 -36.368 -34.655 1.00 57.85 ? 210 ILE G N 1 ATOM 10647 C CA . ILE G 3 195 ? 53.483 -36.735 -33.378 1.00 70.29 ? 210 ILE G CA 1 ATOM 10648 C C . ILE G 3 195 ? 52.789 -37.967 -32.776 1.00 90.26 ? 210 ILE G C 1 ATOM 10649 O O . ILE G 3 195 ? 53.384 -38.684 -31.970 1.00 50.80 ? 210 ILE G O 1 ATOM 10650 C CB . ILE G 3 195 ? 53.528 -35.553 -32.361 1.00 73.11 ? 210 ILE G CB 1 ATOM 10651 C CG1 . ILE G 3 195 ? 52.136 -34.938 -32.095 1.00 71.87 ? 210 ILE G CG1 1 ATOM 10652 C CG2 . ILE G 3 195 ? 54.543 -34.485 -32.776 1.00 74.48 ? 210 ILE G CG2 1 ATOM 10653 C CD1 . ILE G 3 195 ? 51.560 -35.261 -30.729 1.00 77.15 ? 210 ILE G CD1 1 ATOM 10654 N N . GLY H 4 2 ? 14.060 -30.335 -18.477 1.00 32.02 ? 3 GLY H N 1 ATOM 10655 C CA . GLY H 4 2 ? 12.963 -29.518 -17.979 1.00 31.28 ? 3 GLY H CA 1 ATOM 10656 C C . GLY H 4 2 ? 13.318 -28.049 -17.878 1.00 32.48 ? 3 GLY H C 1 ATOM 10657 O O . GLY H 4 2 ? 12.562 -27.197 -18.358 1.00 33.18 ? 3 GLY H O 1 ATOM 10658 N N . VAL H 4 3 ? 14.472 -27.742 -17.250 1.00 25.68 ? 4 VAL H N 1 ATOM 10659 C CA . VAL H 4 3 ? 14.941 -26.362 -17.073 1.00 24.25 ? 4 VAL H CA 1 ATOM 10660 C C . VAL H 4 3 ? 15.340 -25.772 -18.436 1.00 27.34 ? 4 VAL H C 1 ATOM 10661 O O . VAL H 4 3 ? 16.119 -26.386 -19.176 1.00 26.94 ? 4 VAL H O 1 ATOM 10662 C CB . VAL H 4 3 ? 16.099 -26.214 -16.036 1.00 27.03 ? 4 VAL H CB 1 ATOM 10663 C CG1 . VAL H 4 3 ? 16.374 -24.744 -15.706 1.00 25.73 ? 4 VAL H CG1 1 ATOM 10664 C CG2 . VAL H 4 3 ? 15.816 -26.990 -14.761 1.00 26.77 ? 4 VAL H CG2 1 ATOM 10665 N N . THR H 4 4 ? 14.781 -24.591 -18.759 1.00 22.98 ? 5 THR H N 1 ATOM 10666 C CA . THR H 4 4 ? 15.083 -23.846 -19.983 1.00 22.75 ? 5 THR H CA 1 ATOM 10667 C C . THR H 4 4 ? 15.787 -22.542 -19.589 1.00 25.78 ? 5 THR H C 1 ATOM 10668 O O . THR H 4 4 ? 15.614 -22.065 -18.472 1.00 25.26 ? 5 THR H O 1 ATOM 10669 C CB . THR H 4 4 ? 13.818 -23.626 -20.852 1.00 30.83 ? 5 THR H CB 1 ATOM 10670 O OG1 . THR H 4 4 ? 12.833 -22.907 -20.119 1.00 28.70 ? 5 THR H OG1 1 ATOM 10671 C CG2 . THR H 4 4 ? 13.217 -24.930 -21.363 1.00 30.00 ? 5 THR H CG2 1 ATOM 10672 N N . GLN H 4 5 ? 16.627 -22.002 -20.473 1.00 22.09 ? 6 GLN H N 1 ATOM 10673 C CA . GLN H 4 5 ? 17.368 -20.774 -20.198 1.00 21.15 ? 6 GLN H CA 1 ATOM 10674 C C . GLN H 4 5 ? 17.470 -19.902 -21.444 1.00 26.84 ? 6 GLN H C 1 ATOM 10675 O O . GLN H 4 5 ? 17.812 -20.398 -22.529 1.00 26.62 ? 6 GLN H O 1 ATOM 10676 C CB . GLN H 4 5 ? 18.768 -21.092 -19.673 1.00 21.11 ? 6 GLN H CB 1 ATOM 10677 C CG . GLN H 4 5 ? 18.834 -21.357 -18.171 1.00 17.46 ? 6 GLN H CG 1 ATOM 10678 C CD . GLN H 4 5 ? 20.267 -21.378 -17.695 1.00 28.95 ? 6 GLN H CD 1 ATOM 10679 O OE1 . GLN H 4 5 ? 20.775 -22.403 -17.246 1.00 23.03 ? 6 GLN H OE1 1 ATOM 10680 N NE2 . GLN H 4 5 ? 20.960 -20.249 -17.800 1.00 17.93 ? 6 GLN H NE2 1 ATOM 10681 N N . THR H 4 6 ? 17.152 -18.600 -21.294 1.00 24.16 ? 7 THR H N 1 ATOM 10682 C CA . THR H 4 6 ? 17.226 -17.655 -22.403 1.00 24.52 ? 7 THR H CA 1 ATOM 10683 C C . THR H 4 6 ? 18.025 -16.416 -21.983 1.00 28.98 ? 7 THR H C 1 ATOM 10684 O O . THR H 4 6 ? 17.846 -15.927 -20.866 1.00 28.76 ? 7 THR H O 1 ATOM 10685 C CB . THR H 4 6 ? 15.841 -17.278 -22.959 1.00 31.10 ? 7 THR H CB 1 ATOM 10686 O OG1 . THR H 4 6 ? 15.090 -16.584 -21.968 1.00 32.55 ? 7 THR H OG1 1 ATOM 10687 C CG2 . THR H 4 6 ? 15.065 -18.479 -23.506 1.00 30.51 ? 7 THR H CG2 1 ATOM 10688 N N . PRO H 4 7 ? 18.887 -15.874 -22.872 1.00 25.67 ? 8 PRO H N 1 ATOM 10689 C CA . PRO H 4 7 ? 19.234 -16.392 -24.212 1.00 25.95 ? 8 PRO H CA 1 ATOM 10690 C C . PRO H 4 7 ? 20.264 -17.516 -24.093 1.00 28.48 ? 8 PRO H C 1 ATOM 10691 O O . PRO H 4 7 ? 20.827 -17.707 -23.011 1.00 26.79 ? 8 PRO H O 1 ATOM 10692 C CB . PRO H 4 7 ? 19.806 -15.151 -24.909 1.00 28.15 ? 8 PRO H CB 1 ATOM 10693 C CG . PRO H 4 7 ? 20.498 -14.395 -23.793 1.00 32.31 ? 8 PRO H CG 1 ATOM 10694 C CD . PRO H 4 7 ? 19.684 -14.673 -22.533 1.00 27.35 ? 8 PRO H CD 1 ATOM 10695 N N . LYS H 4 8 ? 20.526 -18.253 -25.179 1.00 25.44 ? 9 LYS H N 1 ATOM 10696 C CA . LYS H 4 8 ? 21.554 -19.292 -25.117 1.00 24.75 ? 9 LYS H CA 1 ATOM 10697 C C . LYS H 4 8 ? 22.941 -18.632 -25.112 1.00 28.45 ? 9 LYS H C 1 ATOM 10698 O O . LYS H 4 8 ? 23.867 -19.120 -24.456 1.00 28.01 ? 9 LYS H O 1 ATOM 10699 C CB . LYS H 4 8 ? 21.411 -20.301 -26.266 1.00 28.49 ? 9 LYS H CB 1 ATOM 10700 C CG . LYS H 4 8 ? 22.111 -21.628 -25.976 1.00 46.57 ? 9 LYS H CG 1 ATOM 10701 C CD . LYS H 4 8 ? 21.759 -22.710 -26.986 1.00 59.86 ? 9 LYS H CD 1 ATOM 10702 C CE . LYS H 4 8 ? 22.145 -24.086 -26.494 1.00 72.14 ? 9 LYS H CE 1 ATOM 10703 N NZ . LYS H 4 8 ? 21.165 -24.624 -25.510 1.00 81.35 ? 9 LYS H NZ 1 ATOM 10704 N N . HIS H 4 9 ? 23.069 -17.501 -25.822 1.00 25.28 ? 10 HIS H N 1 ATOM 10705 C CA . HIS H 4 9 ? 24.326 -16.767 -25.926 1.00 24.51 ? 10 HIS H CA 1 ATOM 10706 C C . HIS H 4 9 ? 24.099 -15.270 -25.831 1.00 26.34 ? 10 HIS H C 1 ATOM 10707 O O . HIS H 4 9 ? 23.057 -14.757 -26.252 1.00 26.14 ? 10 HIS H O 1 ATOM 10708 C CB . HIS H 4 9 ? 25.049 -17.121 -27.229 1.00 25.92 ? 10 HIS H CB 1 ATOM 10709 C CG . HIS H 4 9 ? 25.476 -18.555 -27.304 1.00 29.45 ? 10 HIS H CG 1 ATOM 10710 N ND1 . HIS H 4 9 ? 26.713 -18.967 -26.831 1.00 30.86 ? 10 HIS H ND1 1 ATOM 10711 C CD2 . HIS H 4 9 ? 24.801 -19.636 -27.763 1.00 32.02 ? 10 HIS H CD2 1 ATOM 10712 C CE1 . HIS H 4 9 ? 26.757 -20.275 -27.032 1.00 30.55 ? 10 HIS H CE1 1 ATOM 10713 N NE2 . HIS H 4 9 ? 25.631 -20.723 -27.592 1.00 31.60 ? 10 HIS H NE2 1 ATOM 10714 N N . LEU H 4 10 ? 25.067 -14.600 -25.245 1.00 22.20 ? 11 LEU H N 1 ATOM 10715 C CA . LEU H 4 10 ? 25.053 -13.180 -25.094 1.00 22.23 ? 11 LEU H CA 1 ATOM 10716 C C . LEU H 4 10 ? 26.432 -12.542 -25.228 1.00 26.19 ? 11 LEU H C 1 ATOM 10717 O O . LEU H 4 10 ? 27.365 -12.893 -24.571 1.00 24.97 ? 11 LEU H O 1 ATOM 10718 C CB . LEU H 4 10 ? 24.445 -12.826 -23.760 1.00 22.06 ? 11 LEU H CB 1 ATOM 10719 C CG . LEU H 4 10 ? 23.818 -11.474 -23.531 1.00 27.02 ? 11 LEU H CG 1 ATOM 10720 C CD1 . LEU H 4 10 ? 22.683 -11.247 -24.490 1.00 27.71 ? 11 LEU H CD1 1 ATOM 10721 C CD2 . LEU H 4 10 ? 23.299 -11.420 -22.121 1.00 28.06 ? 11 LEU H CD2 1 ATOM 10722 N N . ILE H 4 11 ? 26.513 -11.572 -26.111 1.00 23.96 ? 12 ILE H N 1 ATOM 10723 C CA . ILE H 4 11 ? 27.738 -10.890 -26.389 1.00 24.15 ? 12 ILE H CA 1 ATOM 10724 C C . ILE H 4 11 ? 27.467 -9.452 -26.143 1.00 29.91 ? 12 ILE H C 1 ATOM 10725 O O . ILE H 4 11 ? 26.597 -8.899 -26.751 1.00 30.59 ? 12 ILE H O 1 ATOM 10726 C CB . ILE H 4 11 ? 28.176 -11.097 -27.851 1.00 27.71 ? 12 ILE H CB 1 ATOM 10727 C CG1 . ILE H 4 11 ? 28.673 -12.499 -28.079 1.00 27.76 ? 12 ILE H CG1 1 ATOM 10728 C CG2 . ILE H 4 11 ? 29.295 -10.167 -28.240 1.00 28.24 ? 12 ILE H CG2 1 ATOM 10729 C CD1 . ILE H 4 11 ? 27.568 -13.497 -28.252 1.00 38.76 ? 12 ILE H CD1 1 ATOM 10730 N N . THR H 4 12 ? 28.240 -8.841 -25.271 1.00 27.00 ? 13 THR H N 1 ATOM 10731 C CA . THR H 4 12 ? 27.995 -7.481 -24.925 1.00 27.92 ? 13 THR H CA 1 ATOM 10732 C C . THR H 4 12 ? 29.261 -6.733 -24.523 1.00 31.95 ? 13 THR H C 1 ATOM 10733 O O . THR H 4 12 ? 30.252 -7.344 -24.298 1.00 30.96 ? 13 THR H O 1 ATOM 10734 C CB . THR H 4 12 ? 26.863 -7.400 -23.869 1.00 37.67 ? 13 THR H CB 1 ATOM 10735 O OG1 . THR H 4 12 ? 26.457 -6.048 -23.697 1.00 40.19 ? 13 THR H OG1 1 ATOM 10736 C CG2 . THR H 4 12 ? 27.295 -7.964 -22.571 1.00 33.43 ? 13 THR H CG2 1 ATOM 10737 N N . ALA H 4 13 ? 29.192 -5.408 -24.469 1.00 29.72 ? 14 ALA H N 1 ATOM 10738 C CA . ALA H 4 13 ? 30.316 -4.530 -24.135 1.00 30.10 ? 14 ALA H CA 1 ATOM 10739 C C . ALA H 4 13 ? 30.466 -4.355 -22.617 1.00 32.58 ? 14 ALA H C 1 ATOM 10740 O O . ALA H 4 13 ? 29.504 -4.601 -21.889 1.00 32.10 ? 14 ALA H O 1 ATOM 10741 C CB . ALA H 4 13 ? 30.119 -3.168 -24.795 1.00 32.20 ? 14 ALA H CB 1 ATOM 10742 N N . THR H 4 14 ? 31.658 -3.907 -22.134 1.00 28.13 ? 15 THR H N 1 ATOM 10743 C CA . THR H 4 14 ? 31.855 -3.652 -20.698 1.00 27.41 ? 15 THR H CA 1 ATOM 10744 C C . THR H 4 14 ? 31.002 -2.450 -20.265 1.00 31.94 ? 15 THR H C 1 ATOM 10745 O O . THR H 4 14 ? 30.714 -1.571 -21.083 1.00 31.61 ? 15 THR H O 1 ATOM 10746 C CB . THR H 4 14 ? 33.339 -3.429 -20.321 1.00 31.90 ? 15 THR H CB 1 ATOM 10747 O OG1 . THR H 4 14 ? 33.873 -2.335 -21.062 1.00 31.83 ? 15 THR H OG1 1 ATOM 10748 C CG2 . THR H 4 14 ? 34.198 -4.677 -20.469 1.00 27.54 ? 15 THR H CG2 1 ATOM 10749 N N . GLY H 4 15 ? 30.612 -2.432 -18.988 1.00 29.16 ? 16 GLY H N 1 ATOM 10750 C CA . GLY H 4 15 ? 29.809 -1.361 -18.402 1.00 29.77 ? 16 GLY H CA 1 ATOM 10751 C C . GLY H 4 15 ? 28.315 -1.514 -18.622 1.00 33.49 ? 16 GLY H C 1 ATOM 10752 O O . GLY H 4 15 ? 27.525 -0.819 -17.983 1.00 34.17 ? 16 GLY H O 1 ATOM 10753 N N . GLN H 4 16 ? 27.922 -2.416 -19.539 1.00 28.95 ? 17 GLN H N 1 ATOM 10754 C CA . GLN H 4 16 ? 26.533 -2.726 -19.878 1.00 28.28 ? 17 GLN H CA 1 ATOM 10755 C C . GLN H 4 16 ? 25.869 -3.569 -18.784 1.00 29.88 ? 17 GLN H C 1 ATOM 10756 O O . GLN H 4 16 ? 26.542 -4.103 -17.901 1.00 27.90 ? 17 GLN H O 1 ATOM 10757 C CB . GLN H 4 16 ? 26.482 -3.479 -21.222 1.00 29.32 ? 17 GLN H CB 1 ATOM 10758 C CG . GLN H 4 16 ? 26.643 -2.589 -22.448 1.00 49.68 ? 17 GLN H CG 1 ATOM 10759 C CD . GLN H 4 16 ? 25.309 -2.075 -22.920 1.00 74.16 ? 17 GLN H CD 1 ATOM 10760 O OE1 . GLN H 4 16 ? 24.843 -1.009 -22.502 1.00 72.87 ? 17 GLN H OE1 1 ATOM 10761 N NE2 . GLN H 4 16 ? 24.647 -2.843 -23.774 1.00 65.00 ? 17 GLN H NE2 1 ATOM 10762 N N . ARG H 4 17 ? 24.536 -3.666 -18.844 1.00 27.21 ? 18 ARG H N 1 ATOM 10763 C CA . ARG H 4 17 ? 23.707 -4.455 -17.935 1.00 25.86 ? 18 ARG H CA 1 ATOM 10764 C C . ARG H 4 17 ? 22.970 -5.531 -18.755 1.00 28.20 ? 18 ARG H C 1 ATOM 10765 O O . ARG H 4 17 ? 22.484 -5.222 -19.842 1.00 28.46 ? 18 ARG H O 1 ATOM 10766 C CB . ARG H 4 17 ? 22.718 -3.542 -17.175 1.00 26.71 ? 18 ARG H CB 1 ATOM 10767 C CG . ARG H 4 17 ? 21.862 -4.290 -16.156 1.00 39.43 ? 18 ARG H CG 1 ATOM 10768 C CD . ARG H 4 17 ? 21.028 -3.390 -15.272 1.00 57.46 ? 18 ARG H CD 1 ATOM 10769 N NE . ARG H 4 17 ? 20.288 -4.188 -14.289 1.00 71.60 ? 18 ARG H NE 1 ATOM 10770 C CZ . ARG H 4 17 ? 20.407 -4.071 -12.970 1.00 86.69 ? 18 ARG H CZ 1 ATOM 10771 N NH1 . ARG H 4 17 ? 21.213 -3.155 -12.446 1.00 74.86 ? 18 ARG H NH1 1 ATOM 10772 N NH2 . ARG H 4 17 ? 19.703 -4.853 -12.163 1.00 73.11 ? 18 ARG H NH2 1 ATOM 10773 N N . VAL H 4 18 ? 22.896 -6.785 -18.246 1.00 22.89 ? 19 VAL H N 1 ATOM 10774 C CA . VAL H 4 18 ? 22.208 -7.889 -18.938 1.00 22.24 ? 19 VAL H CA 1 ATOM 10775 C C . VAL H 4 18 ? 21.254 -8.653 -17.999 1.00 26.50 ? 19 VAL H C 1 ATOM 10776 O O . VAL H 4 18 ? 21.475 -8.728 -16.787 1.00 25.41 ? 19 VAL H O 1 ATOM 10777 C CB . VAL H 4 18 ? 23.157 -8.884 -19.664 1.00 25.19 ? 19 VAL H CB 1 ATOM 10778 C CG1 . VAL H 4 18 ? 23.910 -8.208 -20.804 1.00 25.52 ? 19 VAL H CG1 1 ATOM 10779 C CG2 . VAL H 4 18 ? 24.111 -9.601 -18.704 1.00 23.90 ? 19 VAL H CG2 1 ATOM 10780 N N . THR H 4 19 ? 20.218 -9.262 -18.596 1.00 24.15 ? 20 THR H N 1 ATOM 10781 C CA . THR H 4 19 ? 19.231 -10.061 -17.880 1.00 23.92 ? 20 THR H CA 1 ATOM 10782 C C . THR H 4 19 ? 19.178 -11.479 -18.484 1.00 27.44 ? 20 THR H C 1 ATOM 10783 O O . THR H 4 19 ? 18.941 -11.657 -19.681 1.00 27.11 ? 20 THR H O 1 ATOM 10784 C CB . THR H 4 19 ? 17.850 -9.355 -17.830 1.00 35.48 ? 20 THR H CB 1 ATOM 10785 O OG1 . THR H 4 19 ? 16.915 -10.204 -17.166 1.00 36.23 ? 20 THR H OG1 1 ATOM 10786 C CG2 . THR H 4 19 ? 17.312 -8.956 -19.209 1.00 38.17 ? 20 THR H CG2 1 ATOM 10787 N N . LEU H 4 20 ? 19.445 -12.475 -17.642 1.00 24.24 ? 21 LEU H N 1 ATOM 10788 C CA . LEU H 4 20 ? 19.407 -13.889 -18.008 1.00 24.03 ? 21 LEU H CA 1 ATOM 10789 C C . LEU H 4 20 ? 18.152 -14.469 -17.401 1.00 27.44 ? 21 LEU H C 1 ATOM 10790 O O . LEU H 4 20 ? 17.893 -14.234 -16.228 1.00 26.27 ? 21 LEU H O 1 ATOM 10791 C CB . LEU H 4 20 ? 20.671 -14.646 -17.526 1.00 23.57 ? 21 LEU H CB 1 ATOM 10792 C CG . LEU H 4 20 ? 22.024 -13.944 -17.696 1.00 28.66 ? 21 LEU H CG 1 ATOM 10793 C CD1 . LEU H 4 20 ? 23.138 -14.779 -17.148 1.00 28.22 ? 21 LEU H CD1 1 ATOM 10794 C CD2 . LEU H 4 20 ? 22.315 -13.623 -19.151 1.00 32.45 ? 21 LEU H CD2 1 ATOM 10795 N N . ARG H 4 21 ? 17.336 -15.152 -18.196 1.00 24.54 ? 22 ARG H N 1 ATOM 10796 C CA . ARG H 4 21 ? 16.093 -15.712 -17.686 1.00 24.83 ? 22 ARG H CA 1 ATOM 10797 C C . ARG H 4 21 ? 16.203 -17.212 -17.546 1.00 29.20 ? 22 ARG H C 1 ATOM 10798 O O . ARG H 4 21 ? 17.048 -17.842 -18.179 1.00 29.00 ? 22 ARG H O 1 ATOM 10799 C CB . ARG H 4 21 ? 14.894 -15.312 -18.569 1.00 26.56 ? 22 ARG H CB 1 ATOM 10800 C CG . ARG H 4 21 ? 14.492 -13.871 -18.302 1.00 39.74 ? 22 ARG H CG 1 ATOM 10801 C CD . ARG H 4 21 ? 13.488 -13.274 -19.264 1.00 49.02 ? 22 ARG H CD 1 ATOM 10802 N NE . ARG H 4 21 ? 13.351 -11.841 -19.002 1.00 56.13 ? 22 ARG H NE 1 ATOM 10803 C CZ . ARG H 4 21 ? 12.810 -10.960 -19.837 1.00 73.30 ? 22 ARG H CZ 1 ATOM 10804 N NH1 . ARG H 4 21 ? 12.338 -11.352 -21.015 1.00 62.30 1 22 ARG H NH1 1 ATOM 10805 N NH2 . ARG H 4 21 ? 12.738 -9.679 -19.502 1.00 63.14 ? 22 ARG H NH2 1 ATOM 10806 N N . CYS H 4 22 ? 15.364 -17.777 -16.687 1.00 26.34 ? 23 CYS H N 1 ATOM 10807 C CA . CYS H 4 22 ? 15.318 -19.210 -16.457 1.00 26.62 ? 23 CYS H CA 1 ATOM 10808 C C . CYS H 4 22 ? 13.897 -19.657 -16.162 1.00 30.04 ? 23 CYS H C 1 ATOM 10809 O O . CYS H 4 22 ? 13.194 -18.995 -15.407 1.00 30.28 ? 23 CYS H O 1 ATOM 10810 C CB . CYS H 4 22 ? 16.258 -19.600 -15.322 1.00 26.94 ? 23 CYS H CB 1 ATOM 10811 S SG . CYS H 4 22 ? 15.937 -21.242 -14.629 1.00 31.16 ? 23 CYS H SG 1 ATOM 10812 N N . SER H 4 23 ? 13.505 -20.812 -16.699 1.00 24.99 ? 24 SER H N 1 ATOM 10813 C CA . SER H 4 23 ? 12.219 -21.420 -16.398 1.00 24.66 ? 24 SER H CA 1 ATOM 10814 C C . SER H 4 23 ? 12.492 -22.763 -15.730 1.00 26.46 ? 24 SER H C 1 ATOM 10815 O O . SER H 4 23 ? 13.068 -23.652 -16.366 1.00 26.75 ? 24 SER H O 1 ATOM 10816 C CB . SER H 4 23 ? 11.350 -21.565 -17.643 1.00 30.12 ? 24 SER H CB 1 ATOM 10817 O OG . SER H 4 23 ? 10.827 -20.309 -18.039 1.00 42.06 ? 24 SER H OG 1 ATOM 10818 N N . PRO H 4 24 ? 12.164 -22.908 -14.425 1.00 21.19 ? 25 PRO H N 1 ATOM 10819 C CA . PRO H 4 24 ? 12.434 -24.184 -13.733 1.00 20.65 ? 25 PRO H CA 1 ATOM 10820 C C . PRO H 4 24 ? 11.624 -25.362 -14.283 1.00 24.30 ? 25 PRO H C 1 ATOM 10821 O O . PRO H 4 24 ? 10.682 -25.152 -15.054 1.00 25.08 ? 25 PRO H O 1 ATOM 10822 C CB . PRO H 4 24 ? 12.017 -23.886 -12.281 1.00 21.62 ? 25 PRO H CB 1 ATOM 10823 C CG . PRO H 4 24 ? 11.052 -22.790 -12.371 1.00 26.22 ? 25 PRO H CG 1 ATOM 10824 C CD . PRO H 4 24 ? 11.523 -21.938 -13.516 1.00 22.35 ? 25 PRO H CD 1 ATOM 10825 N N . ARG H 4 25 ? 11.966 -26.601 -13.858 1.00 19.83 ? 26 ARG H N 1 ATOM 10826 C CA . ARG H 4 25 ? 11.199 -27.801 -14.224 1.00 20.28 ? 26 ARG H CA 1 ATOM 10827 C C . ARG H 4 25 ? 9.769 -27.628 -13.759 1.00 24.35 ? 26 ARG H C 1 ATOM 10828 O O . ARG H 4 25 ? 9.548 -27.004 -12.720 1.00 24.40 ? 26 ARG H O 1 ATOM 10829 C CB . ARG H 4 25 ? 11.778 -29.075 -13.584 1.00 19.61 ? 26 ARG H CB 1 ATOM 10830 C CG . ARG H 4 25 ? 13.177 -29.508 -14.030 1.00 24.62 ? 26 ARG H CG 1 ATOM 10831 C CD . ARG H 4 25 ? 13.498 -30.927 -13.562 1.00 31.45 ? 26 ARG H CD 1 ATOM 10832 N NE . ARG H 4 25 ? 13.158 -31.134 -12.149 1.00 35.75 ? 26 ARG H NE 1 ATOM 10833 C CZ . ARG H 4 25 ? 12.890 -32.312 -11.594 1.00 49.47 ? 26 ARG H CZ 1 ATOM 10834 N NH1 . ARG H 4 25 ? 12.941 -33.423 -12.319 1.00 37.55 1 26 ARG H NH1 1 ATOM 10835 N NH2 . ARG H 4 25 ? 12.565 -32.388 -10.310 1.00 38.54 ? 26 ARG H NH2 1 ATOM 10836 N N . SER H 4 26 ? 8.800 -28.162 -14.502 1.00 21.20 ? 27 SER H N 1 ATOM 10837 C CA . SER H 4 26 ? 7.404 -28.071 -14.098 1.00 21.15 ? 27 SER H CA 1 ATOM 10838 C C . SER H 4 26 ? 7.220 -28.726 -12.718 1.00 24.44 ? 27 SER H C 1 ATOM 10839 O O . SER H 4 26 ? 7.638 -29.872 -12.514 1.00 24.70 ? 27 SER H O 1 ATOM 10840 C CB . SER H 4 26 ? 6.498 -28.718 -15.139 1.00 25.66 ? 27 SER H CB 1 ATOM 10841 O OG . SER H 4 26 ? 5.143 -28.471 -14.811 1.00 36.99 ? 27 SER H OG 1 ATOM 10842 N N . GLY H 4 27 ? 6.683 -27.952 -11.778 1.00 19.34 ? 28 GLY H N 1 ATOM 10843 C CA . GLY H 4 27 ? 6.455 -28.383 -10.401 1.00 18.36 ? 28 GLY H CA 1 ATOM 10844 C C . GLY H 4 27 ? 7.572 -28.033 -9.431 1.00 20.62 ? 28 GLY H C 1 ATOM 10845 O O . GLY H 4 27 ? 7.425 -28.255 -8.221 1.00 19.72 ? 28 GLY H O 1 ATOM 10846 N N . ASP H 4 28 ? 8.704 -27.498 -9.945 1.00 16.53 ? 29 ASP H N 1 ATOM 10847 C CA . ASP H 4 28 ? 9.848 -27.095 -9.111 1.00 15.05 ? 29 ASP H CA 1 ATOM 10848 C C . ASP H 4 28 ? 9.638 -25.680 -8.601 1.00 18.63 ? 29 ASP H C 1 ATOM 10849 O O . ASP H 4 28 ? 9.302 -24.784 -9.375 1.00 17.98 ? 29 ASP H O 1 ATOM 10850 C CB . ASP H 4 28 ? 11.183 -27.228 -9.861 1.00 16.43 ? 29 ASP H CB 1 ATOM 10851 C CG . ASP H 4 28 ? 11.715 -28.650 -9.957 1.00 27.29 ? 29 ASP H CG 1 ATOM 10852 O OD1 . ASP H 4 28 ? 10.991 -29.587 -9.565 1.00 28.25 ? 29 ASP H OD1 1 ATOM 10853 O OD2 . ASP H 4 28 ? 12.862 -28.824 -10.412 1.00 35.04 -1 29 ASP H OD2 1 ATOM 10854 N N . LEU H 4 29 ? 9.821 -25.494 -7.286 1.00 14.85 ? 37 LEU H N 1 ATOM 10855 C CA . LEU H 4 29 ? 9.563 -24.238 -6.582 1.00 13.64 ? 37 LEU H CA 1 ATOM 10856 C C . LEU H 4 29 ? 10.826 -23.480 -6.186 1.00 14.91 ? 37 LEU H C 1 ATOM 10857 O O . LEU H 4 29 ? 10.750 -22.284 -5.912 1.00 14.02 ? 37 LEU H O 1 ATOM 10858 C CB . LEU H 4 29 ? 8.731 -24.549 -5.331 1.00 13.86 ? 37 LEU H CB 1 ATOM 10859 C CG . LEU H 4 29 ? 7.203 -24.414 -5.444 1.00 19.28 ? 37 LEU H CG 1 ATOM 10860 C CD1 . LEU H 4 29 ? 6.619 -25.269 -6.571 1.00 20.54 ? 37 LEU H CD1 1 ATOM 10861 C CD2 . LEU H 4 29 ? 6.539 -24.782 -4.126 1.00 21.06 ? 37 LEU H CD2 1 ATOM 10862 N N . SER H 4 30 ? 11.977 -24.164 -6.165 1.00 11.14 ? 38 SER H N 1 ATOM 10863 C CA . SER H 4 30 ? 13.266 -23.574 -5.815 1.00 10.58 ? 38 SER H CA 1 ATOM 10864 C C . SER H 4 30 ? 14.189 -23.464 -7.051 1.00 15.62 ? 38 SER H C 1 ATOM 10865 O O . SER H 4 30 ? 14.287 -24.408 -7.829 1.00 15.90 ? 38 SER H O 1 ATOM 10866 C CB . SER H 4 30 ? 13.929 -24.397 -4.717 1.00 13.48 ? 38 SER H CB 1 ATOM 10867 O OG . SER H 4 30 ? 15.172 -23.843 -4.323 1.00 21.25 ? 38 SER H OG 1 ATOM 10868 N N . VAL H 4 31 ? 14.850 -22.304 -7.225 1.00 12.50 ? 39 VAL H N 1 ATOM 10869 C CA . VAL H 4 31 ? 15.783 -22.016 -8.328 1.00 12.47 ? 39 VAL H CA 1 ATOM 10870 C C . VAL H 4 31 ? 17.133 -21.604 -7.763 1.00 16.11 ? 39 VAL H C 1 ATOM 10871 O O . VAL H 4 31 ? 17.185 -20.929 -6.742 1.00 15.47 ? 39 VAL H O 1 ATOM 10872 C CB . VAL H 4 31 ? 15.273 -20.979 -9.371 1.00 16.38 ? 39 VAL H CB 1 ATOM 10873 C CG1 . VAL H 4 31 ? 14.260 -21.607 -10.319 1.00 16.58 ? 39 VAL H CG1 1 ATOM 10874 C CG2 . VAL H 4 31 ? 14.696 -19.728 -8.705 1.00 16.25 ? 39 VAL H CG2 1 ATOM 10875 N N . TYR H 4 32 ? 18.227 -22.010 -8.437 1.00 13.27 ? 40 TYR H N 1 ATOM 10876 C CA . TYR H 4 32 ? 19.606 -21.723 -8.022 1.00 12.56 ? 40 TYR H CA 1 ATOM 10877 C C . TYR H 4 32 ? 20.419 -21.245 -9.209 1.00 17.28 ? 40 TYR H C 1 ATOM 10878 O O . TYR H 4 32 ? 20.302 -21.813 -10.290 1.00 17.35 ? 40 TYR H O 1 ATOM 10879 C CB . TYR H 4 32 ? 20.291 -22.975 -7.413 1.00 13.24 ? 40 TYR H CB 1 ATOM 10880 C CG . TYR H 4 32 ? 19.469 -23.796 -6.438 1.00 14.76 ? 40 TYR H CG 1 ATOM 10881 C CD1 . TYR H 4 32 ? 18.441 -24.626 -6.886 1.00 17.58 ? 40 TYR H CD1 1 ATOM 10882 C CD2 . TYR H 4 32 ? 19.805 -23.851 -5.091 1.00 15.40 ? 40 TYR H CD2 1 ATOM 10883 C CE1 . TYR H 4 32 ? 17.689 -25.390 -5.996 1.00 19.28 ? 40 TYR H CE1 1 ATOM 10884 C CE2 . TYR H 4 32 ? 19.083 -24.642 -4.196 1.00 16.62 ? 40 TYR H CE2 1 ATOM 10885 C CZ . TYR H 4 32 ? 18.017 -25.398 -4.650 1.00 24.11 ? 40 TYR H CZ 1 ATOM 10886 O OH . TYR H 4 32 ? 17.320 -26.187 -3.770 1.00 24.97 ? 40 TYR H OH 1 ATOM 10887 N N . TRP H 4 33 ? 21.245 -20.215 -9.022 1.00 14.15 ? 41 TRP H N 1 ATOM 10888 C CA . TRP H 4 33 ? 22.115 -19.742 -10.096 1.00 13.60 ? 41 TRP H CA 1 ATOM 10889 C C . TRP H 4 33 ? 23.555 -20.092 -9.766 1.00 17.62 ? 41 TRP H C 1 ATOM 10890 O O . TRP H 4 33 ? 23.983 -19.973 -8.614 1.00 17.18 ? 41 TRP H O 1 ATOM 10891 C CB . TRP H 4 33 ? 21.950 -18.240 -10.348 1.00 12.36 ? 41 TRP H CB 1 ATOM 10892 C CG . TRP H 4 33 ? 20.664 -17.891 -11.044 1.00 13.49 ? 41 TRP H CG 1 ATOM 10893 C CD1 . TRP H 4 33 ? 19.478 -17.566 -10.455 1.00 16.53 ? 41 TRP H CD1 1 ATOM 10894 C CD2 . TRP H 4 33 ? 20.442 -17.823 -12.461 1.00 13.47 ? 41 TRP H CD2 1 ATOM 10895 N NE1 . TRP H 4 33 ? 18.528 -17.305 -11.414 1.00 16.43 ? 41 TRP H NE1 1 ATOM 10896 C CE2 . TRP H 4 33 ? 19.093 -17.449 -12.655 1.00 18.08 ? 41 TRP H CE2 1 ATOM 10897 C CE3 . TRP H 4 33 ? 21.248 -18.059 -13.592 1.00 14.78 ? 41 TRP H CE3 1 ATOM 10898 C CZ2 . TRP H 4 33 ? 18.541 -17.263 -13.932 1.00 17.71 ? 41 TRP H CZ2 1 ATOM 10899 C CZ3 . TRP H 4 33 ? 20.700 -17.875 -14.853 1.00 16.53 ? 41 TRP H CZ3 1 ATOM 10900 C CH2 . TRP H 4 33 ? 19.357 -17.502 -15.015 1.00 17.50 ? 41 TRP H CH2 1 ATOM 10901 N N . TYR H 4 34 ? 24.272 -20.598 -10.774 1.00 14.04 ? 42 TYR H N 1 ATOM 10902 C CA . TYR H 4 34 ? 25.682 -20.983 -10.707 1.00 13.72 ? 42 TYR H CA 1 ATOM 10903 C C . TYR H 4 34 ? 26.440 -20.370 -11.870 1.00 18.39 ? 42 TYR H C 1 ATOM 10904 O O . TYR H 4 34 ? 25.911 -20.257 -12.978 1.00 17.58 ? 42 TYR H O 1 ATOM 10905 C CB . TYR H 4 34 ? 25.865 -22.515 -10.728 1.00 14.69 ? 42 TYR H CB 1 ATOM 10906 C CG . TYR H 4 34 ? 25.359 -23.236 -9.500 1.00 16.17 ? 42 TYR H CG 1 ATOM 10907 C CD1 . TYR H 4 34 ? 24.026 -23.634 -9.400 1.00 17.75 ? 42 TYR H CD1 1 ATOM 10908 C CD2 . TYR H 4 34 ? 26.225 -23.590 -8.467 1.00 16.95 ? 42 TYR H CD2 1 ATOM 10909 C CE1 . TYR H 4 34 ? 23.555 -24.311 -8.277 1.00 17.23 ? 42 TYR H CE1 1 ATOM 10910 C CE2 . TYR H 4 34 ? 25.768 -24.276 -7.342 1.00 17.91 ? 42 TYR H CE2 1 ATOM 10911 C CZ . TYR H 4 34 ? 24.428 -24.631 -7.252 1.00 23.70 ? 42 TYR H CZ 1 ATOM 10912 O OH . TYR H 4 34 ? 23.947 -25.304 -6.156 1.00 24.47 ? 42 TYR H OH 1 ATOM 10913 N N . GLN H 4 35 ? 27.686 -19.988 -11.616 1.00 15.39 ? 43 GLN H N 1 ATOM 10914 C CA . GLN H 4 35 ? 28.568 -19.431 -12.621 1.00 15.10 ? 43 GLN H CA 1 ATOM 10915 C C . GLN H 4 35 ? 29.709 -20.394 -12.835 1.00 20.51 ? 43 GLN H C 1 ATOM 10916 O O . GLN H 4 35 ? 30.342 -20.828 -11.873 1.00 19.53 ? 43 GLN H O 1 ATOM 10917 C CB . GLN H 4 35 ? 29.072 -18.043 -12.203 1.00 16.56 ? 43 GLN H CB 1 ATOM 10918 C CG . GLN H 4 35 ? 30.010 -17.396 -13.212 1.00 25.19 ? 43 GLN H CG 1 ATOM 10919 C CD . GLN H 4 35 ? 30.851 -16.328 -12.581 1.00 39.57 ? 43 GLN H CD 1 ATOM 10920 O OE1 . GLN H 4 35 ? 31.665 -16.591 -11.686 1.00 37.81 ? 43 GLN H OE1 1 ATOM 10921 N NE2 . GLN H 4 35 ? 30.686 -15.100 -13.044 1.00 28.04 ? 43 GLN H NE2 1 ATOM 10922 N N . GLN H 4 36 ? 29.951 -20.743 -14.099 1.00 19.35 ? 44 GLN H N 1 ATOM 10923 C CA . GLN H 4 36 ? 31.049 -21.607 -14.495 1.00 20.17 ? 44 GLN H CA 1 ATOM 10924 C C . GLN H 4 36 ? 32.036 -20.805 -15.331 1.00 27.66 ? 44 GLN H C 1 ATOM 10925 O O . GLN H 4 36 ? 31.766 -20.472 -16.486 1.00 28.38 ? 44 GLN H O 1 ATOM 10926 C CB . GLN H 4 36 ? 30.569 -22.861 -15.237 1.00 21.18 ? 44 GLN H CB 1 ATOM 10927 C CG . GLN H 4 36 ? 31.646 -23.949 -15.327 1.00 21.94 ? 44 GLN H CG 1 ATOM 10928 C CD . GLN H 4 36 ? 31.165 -25.162 -16.074 1.00 29.35 ? 44 GLN H CD 1 ATOM 10929 O OE1 . GLN H 4 36 ? 30.468 -25.067 -17.088 1.00 26.80 ? 44 GLN H OE1 1 ATOM 10930 N NE2 . GLN H 4 36 ? 31.559 -26.336 -15.612 1.00 14.24 ? 44 GLN H NE2 1 ATOM 10931 N N . SER H 4 37 ? 33.166 -20.483 -14.716 1.00 26.52 ? 45 SER H N 1 ATOM 10932 C CA . SER H 4 37 ? 34.282 -19.756 -15.311 1.00 27.36 ? 45 SER H CA 1 ATOM 10933 C C . SER H 4 37 ? 35.471 -20.693 -15.468 1.00 33.24 ? 45 SER H C 1 ATOM 10934 O O . SER H 4 37 ? 35.542 -21.726 -14.796 1.00 31.99 ? 45 SER H O 1 ATOM 10935 C CB . SER H 4 37 ? 34.663 -18.569 -14.435 1.00 31.03 ? 45 SER H CB 1 ATOM 10936 O OG . SER H 4 37 ? 35.139 -19.025 -13.179 1.00 38.77 ? 45 SER H OG 1 ATOM 10937 N N . LEU H 4 38 ? 36.419 -20.319 -16.326 1.00 32.74 ? 46 LEU H N 1 ATOM 10938 C CA . LEU H 4 38 ? 37.635 -21.104 -16.541 1.00 33.89 ? 46 LEU H CA 1 ATOM 10939 C C . LEU H 4 38 ? 38.561 -20.997 -15.317 1.00 38.55 ? 46 LEU H C 1 ATOM 10940 O O . LEU H 4 38 ? 39.293 -21.942 -15.033 1.00 39.10 ? 46 LEU H O 1 ATOM 10941 C CB . LEU H 4 38 ? 38.366 -20.650 -17.831 1.00 34.32 ? 46 LEU H CB 1 ATOM 10942 C CG . LEU H 4 38 ? 37.579 -20.805 -19.157 1.00 39.78 ? 46 LEU H CG 1 ATOM 10943 C CD1 . LEU H 4 38 ? 38.038 -19.790 -20.207 1.00 40.15 ? 46 LEU H CD1 1 ATOM 10944 C CD2 . LEU H 4 38 ? 37.660 -22.236 -19.709 1.00 43.28 ? 46 LEU H CD2 1 ATOM 10945 N N . ASP H 4 39 ? 38.468 -19.883 -14.558 1.00 34.61 ? 47 ASP H N 1 ATOM 10946 C CA . ASP H 4 39 ? 39.303 -19.611 -13.382 1.00 35.25 ? 47 ASP H CA 1 ATOM 10947 C C . ASP H 4 39 ? 38.820 -20.277 -12.080 1.00 39.13 ? 47 ASP H C 1 ATOM 10948 O O . ASP H 4 39 ? 39.635 -20.893 -11.383 1.00 39.94 ? 47 ASP H O 1 ATOM 10949 C CB . ASP H 4 39 ? 39.416 -18.094 -13.148 1.00 37.60 ? 47 ASP H CB 1 ATOM 10950 N N . GLN H 4 40 ? 37.530 -20.112 -11.721 1.00 34.11 ? 48 GLN H N 1 ATOM 10951 C CA . GLN H 4 40 ? 36.982 -20.606 -10.452 1.00 33.51 ? 48 GLN H CA 1 ATOM 10952 C C . GLN H 4 40 ? 36.139 -21.885 -10.573 1.00 34.61 ? 48 GLN H C 1 ATOM 10953 O O . GLN H 4 40 ? 35.693 -22.422 -9.547 1.00 34.17 ? 48 GLN H O 1 ATOM 10954 C CB . GLN H 4 40 ? 36.124 -19.507 -9.800 1.00 35.08 ? 48 GLN H CB 1 ATOM 10955 C CG . GLN H 4 40 ? 36.938 -18.405 -9.139 1.00 59.80 ? 48 GLN H CG 1 ATOM 10956 C CD . GLN H 4 40 ? 36.069 -17.231 -8.772 1.00 88.78 ? 48 GLN H CD 1 ATOM 10957 O OE1 . GLN H 4 40 ? 35.622 -16.462 -9.631 1.00 86.25 ? 48 GLN H OE1 1 ATOM 10958 N NE2 . GLN H 4 40 ? 35.813 -17.064 -7.482 1.00 84.06 ? 48 GLN H NE2 1 ATOM 10959 N N . GLY H 4 41 ? 35.915 -22.348 -11.800 1.00 28.84 ? 49 GLY H N 1 ATOM 10960 C CA . GLY H 4 41 ? 35.066 -23.507 -12.047 1.00 27.43 ? 49 GLY H CA 1 ATOM 10961 C C . GLY H 4 41 ? 33.606 -23.171 -11.792 1.00 28.98 ? 49 GLY H C 1 ATOM 10962 O O . GLY H 4 41 ? 33.189 -22.027 -11.983 1.00 29.65 ? 49 GLY H O 1 ATOM 10963 N N . LEU H 4 42 ? 32.838 -24.141 -11.302 1.00 22.11 ? 50 LEU H N 1 ATOM 10964 C CA . LEU H 4 42 ? 31.411 -23.988 -11.030 1.00 19.80 ? 50 LEU H CA 1 ATOM 10965 C C . LEU H 4 42 ? 31.205 -23.453 -9.600 1.00 22.08 ? 50 LEU H C 1 ATOM 10966 O O . LEU H 4 42 ? 31.644 -24.085 -8.645 1.00 22.51 ? 50 LEU H O 1 ATOM 10967 C CB . LEU H 4 42 ? 30.763 -25.365 -11.247 1.00 19.44 ? 50 LEU H CB 1 ATOM 10968 C CG . LEU H 4 42 ? 29.286 -25.498 -11.620 1.00 22.91 ? 50 LEU H CG 1 ATOM 10969 C CD1 . LEU H 4 42 ? 28.782 -24.356 -12.487 1.00 21.93 ? 50 LEU H CD1 1 ATOM 10970 C CD2 . LEU H 4 42 ? 29.056 -26.831 -12.311 1.00 24.97 ? 50 LEU H CD2 1 ATOM 10971 N N . GLN H 4 43 ? 30.612 -22.241 -9.468 1.00 16.89 ? 51 GLN H N 1 ATOM 10972 C CA . GLN H 4 43 ? 30.398 -21.527 -8.195 1.00 15.97 ? 51 GLN H CA 1 ATOM 10973 C C . GLN H 4 43 ? 28.959 -21.066 -8.027 1.00 17.91 ? 51 GLN H C 1 ATOM 10974 O O . GLN H 4 43 ? 28.376 -20.491 -8.950 1.00 17.46 ? 51 GLN H O 1 ATOM 10975 C CB . GLN H 4 43 ? 31.309 -20.284 -8.084 1.00 17.35 ? 51 GLN H CB 1 ATOM 10976 C CG . GLN H 4 43 ? 32.813 -20.547 -8.088 1.00 28.86 ? 51 GLN H CG 1 ATOM 10977 C CD . GLN H 4 43 ? 33.308 -21.253 -6.852 1.00 45.83 ? 51 GLN H CD 1 ATOM 10978 O OE1 . GLN H 4 43 ? 32.936 -20.928 -5.713 1.00 40.85 ? 51 GLN H OE1 1 ATOM 10979 N NE2 . GLN H 4 43 ? 34.190 -22.221 -7.057 1.00 39.17 ? 51 GLN H NE2 1 ATOM 10980 N N . PHE H 4 44 ? 28.417 -21.248 -6.815 1.00 13.68 ? 52 PHE H N 1 ATOM 10981 C CA . PHE H 4 44 ? 27.056 -20.854 -6.466 1.00 12.77 ? 52 PHE H CA 1 ATOM 10982 C C . PHE H 4 44 ? 26.915 -19.348 -6.376 1.00 16.50 ? 52 PHE H C 1 ATOM 10983 O O . PHE H 4 44 ? 27.778 -18.678 -5.806 1.00 16.83 ? 52 PHE H O 1 ATOM 10984 C CB . PHE H 4 44 ? 26.643 -21.492 -5.135 1.00 14.49 ? 52 PHE H CB 1 ATOM 10985 C CG . PHE H 4 44 ? 25.276 -21.082 -4.636 1.00 15.37 ? 52 PHE H CG 1 ATOM 10986 C CD1 . PHE H 4 44 ? 24.122 -21.587 -5.226 1.00 17.44 ? 52 PHE H CD1 1 ATOM 10987 C CD2 . PHE H 4 44 ? 25.144 -20.205 -3.561 1.00 17.64 ? 52 PHE H CD2 1 ATOM 10988 C CE1 . PHE H 4 44 ? 22.859 -21.213 -4.761 1.00 18.21 ? 52 PHE H CE1 1 ATOM 10989 C CE2 . PHE H 4 44 ? 23.879 -19.840 -3.085 1.00 20.36 ? 52 PHE H CE2 1 ATOM 10990 C CZ . PHE H 4 44 ? 22.747 -20.372 -3.666 1.00 18.12 ? 52 PHE H CZ 1 ATOM 10991 N N . LEU H 4 45 ? 25.800 -18.827 -6.902 1.00 11.97 ? 53 LEU H N 1 ATOM 10992 C CA . LEU H 4 45 ? 25.506 -17.402 -6.844 1.00 11.45 ? 53 LEU H CA 1 ATOM 10993 C C . LEU H 4 45 ? 24.404 -17.123 -5.821 1.00 13.53 ? 53 LEU H C 1 ATOM 10994 O O . LEU H 4 45 ? 24.670 -16.489 -4.800 1.00 13.06 ? 53 LEU H O 1 ATOM 10995 C CB . LEU H 4 45 ? 25.125 -16.841 -8.236 1.00 11.02 ? 53 LEU H CB 1 ATOM 10996 C CG . LEU H 4 45 ? 26.198 -16.932 -9.318 1.00 14.54 ? 53 LEU H CG 1 ATOM 10997 C CD1 . LEU H 4 45 ? 25.650 -16.484 -10.661 1.00 13.88 ? 53 LEU H CD1 1 ATOM 10998 C CD2 . LEU H 4 45 ? 27.462 -16.141 -8.932 1.00 17.17 ? 53 LEU H CD2 1 ATOM 10999 N N . ILE H 4 46 ? 23.228 -17.671 -6.050 1.00 9.96 ? 54 ILE H N 1 ATOM 11000 C CA . ILE H 4 46 ? 22.054 -17.390 -5.277 1.00 9.60 ? 54 ILE H CA 1 ATOM 11001 C C . ILE H 4 46 ? 20.951 -18.424 -5.449 1.00 13.30 ? 54 ILE H C 1 ATOM 11002 O O . ILE H 4 46 ? 20.907 -19.113 -6.419 1.00 12.98 ? 54 ILE H O 1 ATOM 11003 C CB . ILE H 4 46 ? 21.548 -15.972 -5.549 1.00 11.68 ? 54 ILE H CB 1 ATOM 11004 C CG1 . ILE H 4 46 ? 20.782 -15.457 -4.356 1.00 11.77 ? 54 ILE H CG1 1 ATOM 11005 C CG2 . ILE H 4 46 ? 20.733 -15.892 -6.812 1.00 11.23 ? 54 ILE H CG2 1 ATOM 11006 C CD1 . ILE H 4 46 ? 20.444 -14.010 -4.413 1.00 14.27 ? 54 ILE H CD1 1 ATOM 11007 N N . GLN H 4 47 ? 20.087 -18.507 -4.456 1.00 10.83 ? 55 GLN H N 1 ATOM 11008 C CA . GLN H 4 47 ? 18.887 -19.329 -4.454 1.00 10.15 ? 55 GLN H CA 1 ATOM 11009 C C . GLN H 4 47 ? 17.602 -18.537 -4.154 1.00 14.82 ? 55 GLN H C 1 ATOM 11010 O O . GLN H 4 47 ? 17.609 -17.681 -3.350 1.00 14.10 ? 55 GLN H O 1 ATOM 11011 C CB . GLN H 4 47 ? 19.028 -20.498 -3.503 1.00 10.93 ? 55 GLN H CB 1 ATOM 11012 C CG . GLN H 4 47 ? 17.821 -21.381 -3.407 1.00 9.40 ? 55 GLN H CG 1 ATOM 11013 C CD . GLN H 4 47 ? 17.824 -22.237 -2.174 1.00 24.44 ? 55 GLN H CD 1 ATOM 11014 O OE1 . GLN H 4 47 ? 18.606 -22.049 -1.311 1.00 20.83 ? 55 GLN H OE1 1 ATOM 11015 N NE2 . GLN H 4 47 ? 16.960 -23.179 -2.120 1.00 18.80 ? 55 GLN H NE2 1 ATOM 11016 N N . TYR H 4 48 ? 16.531 -18.850 -4.862 1.00 12.72 ? 56 TYR H N 1 ATOM 11017 C CA . TYR H 4 48 ? 15.187 -18.367 -4.614 1.00 12.53 ? 56 TYR H CA 1 ATOM 11018 C C . TYR H 4 48 ? 14.171 -19.476 -4.383 1.00 14.53 ? 56 TYR H C 1 ATOM 11019 O O . TYR H 4 48 ? 14.158 -20.450 -5.055 1.00 13.26 ? 56 TYR H O 1 ATOM 11020 C CB . TYR H 4 48 ? 14.745 -17.396 -5.704 1.00 15.30 ? 56 TYR H CB 1 ATOM 11021 C CG . TYR H 4 48 ? 15.122 -15.980 -5.396 1.00 18.65 ? 56 TYR H CG 1 ATOM 11022 C CD1 . TYR H 4 48 ? 16.431 -15.573 -5.453 1.00 20.73 ? 56 TYR H CD1 1 ATOM 11023 C CD2 . TYR H 4 48 ? 14.183 -15.064 -5.018 1.00 20.36 ? 56 TYR H CD2 1 ATOM 11024 C CE1 . TYR H 4 48 ? 16.794 -14.307 -5.126 1.00 22.29 ? 56 TYR H CE1 1 ATOM 11025 C CE2 . TYR H 4 48 ? 14.538 -13.789 -4.709 1.00 22.06 ? 56 TYR H CE2 1 ATOM 11026 C CZ . TYR H 4 48 ? 15.846 -13.422 -4.760 1.00 32.19 ? 56 TYR H CZ 1 ATOM 11027 O OH . TYR H 4 48 ? 16.182 -12.160 -4.433 1.00 37.18 ? 56 TYR H OH 1 ATOM 11028 N N . TYR H 4 49 ? 13.360 -19.318 -3.360 1.00 11.66 ? 57 TYR H N 1 ATOM 11029 C CA . TYR H 4 49 ? 12.210 -20.185 -3.113 1.00 10.98 ? 57 TYR H CA 1 ATOM 11030 C C . TYR H 4 49 ? 10.943 -19.404 -2.901 1.00 16.14 ? 57 TYR H C 1 ATOM 11031 O O . TYR H 4 49 ? 10.901 -18.515 -2.119 1.00 15.85 ? 57 TYR H O 1 ATOM 11032 C CB . TYR H 4 49 ? 12.474 -21.197 -1.997 1.00 11.24 ? 57 TYR H CB 1 ATOM 11033 C CG . TYR H 4 49 ? 11.327 -22.086 -1.541 1.00 11.38 ? 57 TYR H CG 1 ATOM 11034 C CD1 . TYR H 4 49 ? 10.892 -23.147 -2.285 1.00 13.00 ? 57 TYR H CD1 1 ATOM 11035 C CD2 . TYR H 4 49 ? 10.746 -21.889 -0.322 1.00 11.34 ? 57 TYR H CD2 1 ATOM 11036 C CE1 . TYR H 4 49 ? 9.883 -23.957 -1.836 1.00 14.03 ? 57 TYR H CE1 1 ATOM 11037 C CE2 . TYR H 4 49 ? 9.750 -22.687 0.136 1.00 11.73 ? 57 TYR H CE2 1 ATOM 11038 C CZ . TYR H 4 49 ? 9.318 -23.721 -0.611 1.00 18.16 ? 57 TYR H CZ 1 ATOM 11039 O OH . TYR H 4 49 ? 8.324 -24.467 -0.107 1.00 15.47 ? 57 TYR H OH 1 ATOM 11040 N N . ASN H 4 50 ? 9.935 -19.751 -3.677 1.00 13.98 ? 58 ASN H N 1 ATOM 11041 C CA . ASN H 4 50 ? 8.604 -19.171 -3.592 1.00 14.19 ? 58 ASN H CA 1 ATOM 11042 C C . ASN H 4 50 ? 8.623 -17.653 -3.618 1.00 19.73 ? 58 ASN H C 1 ATOM 11043 O O . ASN H 4 50 ? 7.940 -17.023 -2.875 1.00 20.75 ? 58 ASN H O 1 ATOM 11044 C CB . ASN H 4 50 ? 7.814 -19.712 -2.409 1.00 12.54 ? 58 ASN H CB 1 ATOM 11045 C CG . ASN H 4 50 ? 7.099 -20.980 -2.724 1.00 36.46 ? 58 ASN H CG 1 ATOM 11046 O OD1 . ASN H 4 50 ? 6.646 -21.180 -3.813 1.00 32.78 ? 58 ASN H OD1 1 ATOM 11047 N ND2 . ASN H 4 50 ? 6.975 -21.824 -1.763 1.00 29.94 ? 58 ASN H ND2 1 ATOM 11048 N N . GLY H 4 51 ? 9.453 -17.094 -4.465 1.00 15.50 ? 63 GLY H N 1 ATOM 11049 C CA . GLY H 4 51 ? 9.641 -15.676 -4.555 1.00 16.34 ? 63 GLY H CA 1 ATOM 11050 C C . GLY H 4 51 ? 10.544 -14.952 -3.582 1.00 22.56 ? 63 GLY H C 1 ATOM 11051 O O . GLY H 4 51 ? 10.599 -13.769 -3.615 1.00 22.44 ? 63 GLY H O 1 ATOM 11052 N N . GLU H 4 52 ? 11.243 -15.658 -2.715 1.00 19.58 ? 64 GLU H N 1 ATOM 11053 C CA . GLU H 4 52 ? 12.172 -15.010 -1.797 1.00 19.09 ? 64 GLU H CA 1 ATOM 11054 C C . GLU H 4 52 ? 13.556 -15.610 -1.786 1.00 19.10 ? 64 GLU H C 1 ATOM 11055 O O . GLU H 4 52 ? 13.735 -16.739 -1.995 1.00 17.28 ? 64 GLU H O 1 ATOM 11056 C CB . GLU H 4 52 ? 11.651 -14.915 -0.354 1.00 21.04 ? 64 GLU H CB 1 ATOM 11057 C CG . GLU H 4 52 ? 10.171 -15.042 -0.157 1.00 36.73 ? 64 GLU H CG 1 ATOM 11058 C CD . GLU H 4 52 ? 9.642 -14.307 1.057 1.00 69.28 ? 64 GLU H CD 1 ATOM 11059 O OE1 . GLU H 4 52 ? 8.488 -13.869 0.997 1.00 72.16 ? 64 GLU H OE1 1 ATOM 11060 O OE2 . GLU H 4 52 ? 10.350 -14.172 2.074 1.00 67.86 -1 64 GLU H OE2 1 ATOM 11061 N N . GLU H 4 53 ? 14.528 -14.779 -1.529 1.00 15.04 ? 65 GLU H N 1 ATOM 11062 C CA . GLU H 4 53 ? 15.907 -15.169 -1.495 1.00 14.12 ? 65 GLU H CA 1 ATOM 11063 C C . GLU H 4 53 ? 16.222 -16.091 -0.337 1.00 18.66 ? 65 GLU H C 1 ATOM 11064 O O . GLU H 4 53 ? 15.874 -15.835 0.768 1.00 17.17 ? 65 GLU H O 1 ATOM 11065 C CB . GLU H 4 53 ? 16.777 -13.926 -1.458 1.00 15.38 ? 65 GLU H CB 1 ATOM 11066 C CG . GLU H 4 53 ? 18.255 -14.163 -1.356 1.00 25.60 ? 65 GLU H CG 1 ATOM 11067 C CD . GLU H 4 53 ? 19.034 -12.912 -0.999 1.00 47.53 ? 65 GLU H CD 1 ATOM 11068 O OE1 . GLU H 4 53 ? 18.884 -11.919 -1.710 1.00 40.56 ? 65 GLU H OE1 1 ATOM 11069 O OE2 . GLU H 4 53 ? 19.801 -12.917 -0.032 1.00 41.07 -1 65 GLU H OE2 1 ATOM 11070 N N . ARG H 4 54 ? 16.922 -17.172 -0.611 1.00 15.55 ? 66 ARG H N 1 ATOM 11071 C CA . ARG H 4 54 ? 17.330 -18.133 0.372 1.00 15.25 ? 66 ARG H CA 1 ATOM 11072 C C . ARG H 4 54 ? 18.842 -18.130 0.502 1.00 18.77 ? 66 ARG H C 1 ATOM 11073 O O . ARG H 4 54 ? 19.396 -17.151 0.845 1.00 18.15 ? 66 ARG H O 1 ATOM 11074 C CB . ARG H 4 54 ? 16.813 -19.477 -0.033 1.00 15.25 ? 66 ARG H CB 1 ATOM 11075 C CG . ARG H 4 54 ? 15.311 -19.652 0.061 1.00 20.00 ? 66 ARG H CG 1 ATOM 11076 C CD . ARG H 4 54 ? 14.866 -20.019 1.457 1.00 18.86 ? 66 ARG H CD 1 ATOM 11077 N NE . ARG H 4 54 ? 14.079 -18.994 2.073 1.00 23.56 ? 66 ARG H NE 1 ATOM 11078 C CZ . ARG H 4 54 ? 14.490 -18.158 2.976 1.00 35.11 ? 66 ARG H CZ 1 ATOM 11079 N NH1 . ARG H 4 54 ? 13.683 -17.285 3.399 1.00 18.48 1 66 ARG H NH1 1 ATOM 11080 N NH2 . ARG H 4 54 ? 15.678 -18.196 3.449 1.00 30.77 ? 66 ARG H NH2 1 ATOM 11081 N N . ALA H 4 55 ? 19.511 -19.219 0.193 1.00 16.02 ? 67 ALA H N 1 ATOM 11082 C CA . ALA H 4 55 ? 20.970 -19.256 0.218 1.00 16.88 ? 67 ALA H CA 1 ATOM 11083 C C . ALA H 4 55 ? 21.634 -18.285 -0.765 1.00 22.41 ? 67 ALA H C 1 ATOM 11084 O O . ALA H 4 55 ? 21.138 -18.011 -1.822 1.00 22.34 ? 67 ALA H O 1 ATOM 11085 C CB . ALA H 4 55 ? 21.491 -20.656 0.014 1.00 17.40 ? 67 ALA H CB 1 ATOM 11086 N N . LYS H 4 56 ? 22.720 -17.707 -0.323 1.00 19.10 ? 68 LYS H N 1 ATOM 11087 C CA . LYS H 4 56 ? 23.487 -16.770 -1.093 1.00 18.88 ? 68 LYS H CA 1 ATOM 11088 C C . LYS H 4 56 ? 24.968 -17.035 -1.056 1.00 23.86 ? 68 LYS H C 1 ATOM 11089 O O . LYS H 4 56 ? 25.540 -17.203 -0.014 1.00 23.36 ? 68 LYS H O 1 ATOM 11090 C CB . LYS H 4 56 ? 23.227 -15.386 -0.579 1.00 21.13 ? 68 LYS H CB 1 ATOM 11091 C CG . LYS H 4 56 ? 23.612 -14.282 -1.497 1.00 29.44 ? 68 LYS H CG 1 ATOM 11092 C CD . LYS H 4 56 ? 23.706 -13.036 -0.693 1.00 39.19 ? 68 LYS H CD 1 ATOM 11093 C CE . LYS H 4 56 ? 23.197 -11.870 -1.454 1.00 49.04 ? 68 LYS H CE 1 ATOM 11094 N NZ . LYS H 4 56 ? 23.476 -10.652 -0.675 1.00 57.17 1 68 LYS H NZ 1 ATOM 11095 N N . GLY H 4 57 ? 25.589 -16.996 -2.223 1.00 22.30 ? 69 GLY H N 1 ATOM 11096 C CA . GLY H 4 57 ? 27.004 -17.227 -2.375 1.00 23.46 ? 69 GLY H CA 1 ATOM 11097 C C . GLY H 4 57 ? 27.866 -16.002 -2.226 1.00 30.94 ? 69 GLY H C 1 ATOM 11098 O O . GLY H 4 57 ? 27.423 -15.014 -1.706 1.00 30.17 ? 69 GLY H O 1 ATOM 11099 N N . ASN H 4 58 ? 29.106 -16.076 -2.687 1.00 31.51 ? 70 ASN H N 1 ATOM 11100 C CA . ASN H 4 58 ? 30.007 -14.922 -2.604 1.00 33.68 ? 70 ASN H CA 1 ATOM 11101 C C . ASN H 4 58 ? 29.765 -14.003 -3.823 1.00 38.66 ? 70 ASN H C 1 ATOM 11102 O O . ASN H 4 58 ? 30.704 -13.548 -4.481 1.00 38.81 ? 70 ASN H O 1 ATOM 11103 C CB . ASN H 4 58 ? 31.476 -15.366 -2.486 1.00 37.91 ? 70 ASN H CB 1 ATOM 11104 C CG . ASN H 4 58 ? 32.329 -14.355 -1.757 1.00 72.89 ? 70 ASN H CG 1 ATOM 11105 O OD1 . ASN H 4 58 ? 32.826 -13.384 -2.338 1.00 71.20 ? 70 ASN H OD1 1 ATOM 11106 N ND2 . ASN H 4 58 ? 32.477 -14.538 -0.452 1.00 66.30 ? 70 ASN H ND2 1 ATOM 11107 N N . ILE H 4 59 ? 28.474 -13.747 -4.102 1.00 35.52 ? 71 ILE H N 1 ATOM 11108 C CA . ILE H 4 59 ? 27.933 -12.920 -5.178 1.00 35.31 ? 71 ILE H CA 1 ATOM 11109 C C . ILE H 4 59 ? 28.274 -11.431 -4.895 1.00 40.87 ? 71 ILE H C 1 ATOM 11110 O O . ILE H 4 59 ? 28.424 -11.028 -3.734 1.00 40.61 ? 71 ILE H O 1 ATOM 11111 C CB . ILE H 4 59 ? 26.397 -13.201 -5.302 1.00 37.71 ? 71 ILE H CB 1 ATOM 11112 C CG1 . ILE H 4 59 ? 25.850 -12.809 -6.686 1.00 37.79 ? 71 ILE H CG1 1 ATOM 11113 C CG2 . ILE H 4 59 ? 25.574 -12.577 -4.162 1.00 39.16 ? 71 ILE H CG2 1 ATOM 11114 C CD1 . ILE H 4 59 ? 24.340 -13.118 -6.943 1.00 41.83 ? 71 ILE H CD1 1 ATOM 11115 N N . LEU H 4 60 ? 28.427 -10.638 -5.967 1.00 38.68 ? 72 LEU H N 1 ATOM 11116 C CA . LEU H 4 60 ? 28.754 -9.212 -5.886 1.00 39.69 ? 72 LEU H CA 1 ATOM 11117 C C . LEU H 4 60 ? 27.487 -8.355 -5.876 1.00 42.45 ? 72 LEU H C 1 ATOM 11118 O O . LEU H 4 60 ? 26.442 -8.807 -6.349 1.00 41.04 ? 72 LEU H O 1 ATOM 11119 C CB . LEU H 4 60 ? 29.657 -8.806 -7.067 1.00 40.26 ? 72 LEU H CB 1 ATOM 11120 C CG . LEU H 4 60 ? 31.036 -9.461 -7.137 1.00 45.19 ? 72 LEU H CG 1 ATOM 11121 C CD1 . LEU H 4 60 ? 31.558 -9.465 -8.556 1.00 44.98 ? 72 LEU H CD1 1 ATOM 11122 C CD2 . LEU H 4 60 ? 32.027 -8.788 -6.181 1.00 48.95 ? 72 LEU H CD2 1 ATOM 11123 N N . GLU H 4 61 ? 27.586 -7.108 -5.348 1.00 39.32 ? 74 GLU H N 1 ATOM 11124 C CA . GLU H 4 61 ? 26.480 -6.138 -5.296 1.00 38.57 ? 74 GLU H CA 1 ATOM 11125 C C . GLU H 4 61 ? 25.948 -5.856 -6.717 1.00 39.22 ? 74 GLU H C 1 ATOM 11126 O O . GLU H 4 61 ? 24.741 -5.673 -6.888 1.00 38.67 ? 74 GLU H O 1 ATOM 11127 C CB . GLU H 4 61 ? 26.926 -4.838 -4.611 1.00 41.48 ? 74 GLU H CB 1 ATOM 11128 N N . ARG H 4 62 ? 26.855 -5.902 -7.733 1.00 32.92 ? 75 ARG H N 1 ATOM 11129 C CA . ARG H 4 62 ? 26.587 -5.756 -9.173 1.00 31.53 ? 75 ARG H CA 1 ATOM 11130 C C . ARG H 4 62 ? 25.617 -6.826 -9.688 1.00 33.26 ? 75 ARG H C 1 ATOM 11131 O O . ARG H 4 62 ? 25.016 -6.645 -10.749 1.00 32.05 ? 75 ARG H O 1 ATOM 11132 C CB . ARG H 4 62 ? 27.889 -5.877 -9.985 1.00 30.45 ? 75 ARG H CB 1 ATOM 11133 C CG . ARG H 4 62 ? 28.882 -4.740 -9.837 1.00 36.35 ? 75 ARG H CG 1 ATOM 11134 C CD . ARG H 4 62 ? 29.890 -4.725 -10.977 1.00 36.84 ? 75 ARG H CD 1 ATOM 11135 N NE . ARG H 4 62 ? 30.842 -5.836 -10.920 1.00 37.11 ? 75 ARG H NE 1 ATOM 11136 C CZ . ARG H 4 62 ? 30.869 -6.844 -11.785 1.00 50.16 ? 75 ARG H CZ 1 ATOM 11137 N NH1 . ARG H 4 62 ? 31.766 -7.811 -11.657 1.00 35.60 1 75 ARG H NH1 1 ATOM 11138 N NH2 . ARG H 4 62 ? 29.993 -6.898 -12.780 1.00 38.58 ? 75 ARG H NH2 1 ATOM 11139 N N . PHE H 4 63 ? 25.514 -7.961 -8.961 1.00 29.46 ? 76 PHE H N 1 ATOM 11140 C CA . PHE H 4 63 ? 24.668 -9.100 -9.312 1.00 28.22 ? 76 PHE H CA 1 ATOM 11141 C C . PHE H 4 63 ? 23.425 -9.152 -8.415 1.00 30.34 ? 76 PHE H C 1 ATOM 11142 O O . PHE H 4 63 ? 23.534 -9.052 -7.190 1.00 29.78 ? 76 PHE H O 1 ATOM 11143 C CB . PHE H 4 63 ? 25.463 -10.419 -9.206 1.00 29.63 ? 76 PHE H CB 1 ATOM 11144 C CG . PHE H 4 63 ? 26.601 -10.703 -10.172 1.00 31.32 ? 76 PHE H CG 1 ATOM 11145 C CD1 . PHE H 4 63 ? 27.054 -9.726 -11.060 1.00 35.11 ? 76 PHE H CD1 1 ATOM 11146 C CD2 . PHE H 4 63 ? 27.226 -11.944 -10.185 1.00 32.99 ? 76 PHE H CD2 1 ATOM 11147 C CE1 . PHE H 4 63 ? 28.104 -9.993 -11.944 1.00 36.39 ? 76 PHE H CE1 1 ATOM 11148 C CE2 . PHE H 4 63 ? 28.278 -12.209 -11.068 1.00 36.27 ? 76 PHE H CE2 1 ATOM 11149 C CZ . PHE H 4 63 ? 28.705 -11.235 -11.946 1.00 35.11 ? 76 PHE H CZ 1 ATOM 11150 N N . SER H 4 64 ? 22.245 -9.278 -9.043 1.00 25.43 ? 77 SER H N 1 ATOM 11151 C CA . SER H 4 64 ? 20.953 -9.351 -8.365 1.00 24.38 ? 77 SER H CA 1 ATOM 11152 C C . SER H 4 64 ? 20.007 -10.273 -9.121 1.00 26.90 ? 77 SER H C 1 ATOM 11153 O O . SER H 4 64 ? 19.984 -10.256 -10.350 1.00 27.24 ? 77 SER H O 1 ATOM 11154 C CB . SER H 4 64 ? 20.332 -7.963 -8.224 1.00 28.52 ? 77 SER H CB 1 ATOM 11155 O OG . SER H 4 64 ? 19.820 -7.471 -9.452 1.00 37.43 ? 77 SER H OG 1 ATOM 11156 N N . ALA H 4 65 ? 19.218 -11.063 -8.393 1.00 21.40 ? 78 ALA H N 1 ATOM 11157 C CA . ALA H 4 65 ? 18.271 -11.964 -9.021 1.00 19.85 ? 78 ALA H CA 1 ATOM 11158 C C . ALA H 4 65 ? 16.864 -11.787 -8.451 1.00 23.04 ? 78 ALA H C 1 ATOM 11159 O O . ALA H 4 65 ? 16.682 -11.156 -7.415 1.00 22.38 ? 78 ALA H O 1 ATOM 11160 C CB . ALA H 4 65 ? 18.734 -13.399 -8.866 1.00 19.83 ? 78 ALA H CB 1 ATOM 11161 N N . GLN H 4 66 ? 15.870 -12.320 -9.170 1.00 19.00 ? 79 GLN H N 1 ATOM 11162 C CA . GLN H 4 66 ? 14.454 -12.298 -8.811 1.00 18.22 ? 79 GLN H CA 1 ATOM 11163 C C . GLN H 4 66 ? 13.814 -13.619 -9.156 1.00 19.17 ? 79 GLN H C 1 ATOM 11164 O O . GLN H 4 66 ? 14.268 -14.297 -10.074 1.00 19.46 ? 79 GLN H O 1 ATOM 11165 C CB . GLN H 4 66 ? 13.712 -11.173 -9.571 1.00 20.44 ? 79 GLN H CB 1 ATOM 11166 C CG . GLN H 4 66 ? 13.914 -9.754 -9.013 1.00 33.14 ? 79 GLN H CG 1 ATOM 11167 C CD . GLN H 4 66 ? 12.902 -8.752 -9.547 1.00 46.94 ? 79 GLN H CD 1 ATOM 11168 O OE1 . GLN H 4 66 ? 12.582 -8.714 -10.745 1.00 36.99 ? 79 GLN H OE1 1 ATOM 11169 N NE2 . GLN H 4 66 ? 12.377 -7.903 -8.663 1.00 41.32 ? 79 GLN H NE2 1 ATOM 11170 N N . GLN H 4 67 ? 12.760 -13.986 -8.436 1.00 13.21 ? 80 GLN H N 1 ATOM 11171 C CA . GLN H 4 67 ? 11.955 -15.149 -8.759 1.00 11.72 ? 80 GLN H CA 1 ATOM 11172 C C . GLN H 4 67 ? 10.533 -14.697 -8.744 1.00 14.81 ? 80 GLN H C 1 ATOM 11173 O O . GLN H 4 67 ? 10.028 -14.223 -7.730 1.00 13.97 ? 80 GLN H O 1 ATOM 11174 C CB . GLN H 4 67 ? 12.193 -16.361 -7.865 1.00 12.28 ? 80 GLN H CB 1 ATOM 11175 C CG . GLN H 4 67 ? 11.417 -17.583 -8.368 1.00 16.53 ? 80 GLN H CG 1 ATOM 11176 C CD . GLN H 4 67 ? 11.406 -18.746 -7.420 1.00 26.78 ? 80 GLN H CD 1 ATOM 11177 O OE1 . GLN H 4 67 ? 11.436 -18.596 -6.201 1.00 20.35 ? 80 GLN H OE1 1 ATOM 11178 N NE2 . GLN H 4 67 ? 11.290 -19.938 -7.966 1.00 21.52 ? 80 GLN H NE2 1 ATOM 11179 N N . PHE H 4 68 ? 9.926 -14.776 -9.916 1.00 12.24 ? 81 PHE H N 1 ATOM 11180 C CA . PHE H 4 68 ? 8.572 -14.369 -10.222 1.00 12.98 ? 81 PHE H CA 1 ATOM 11181 C C . PHE H 4 68 ? 7.550 -15.359 -9.662 1.00 19.73 ? 81 PHE H C 1 ATOM 11182 O O . PHE H 4 68 ? 7.910 -16.502 -9.381 1.00 20.35 ? 81 PHE H O 1 ATOM 11183 C CB . PHE H 4 68 ? 8.435 -14.254 -11.748 1.00 14.42 ? 81 PHE H CB 1 ATOM 11184 C CG . PHE H 4 68 ? 8.951 -12.952 -12.311 1.00 15.20 ? 81 PHE H CG 1 ATOM 11185 C CD1 . PHE H 4 68 ? 10.317 -12.678 -12.341 1.00 16.71 ? 81 PHE H CD1 1 ATOM 11186 C CD2 . PHE H 4 68 ? 8.078 -12.014 -12.845 1.00 16.78 ? 81 PHE H CD2 1 ATOM 11187 C CE1 . PHE H 4 68 ? 10.790 -11.469 -12.854 1.00 17.70 ? 81 PHE H CE1 1 ATOM 11188 C CE2 . PHE H 4 68 ? 8.555 -10.815 -13.378 1.00 19.43 ? 81 PHE H CE2 1 ATOM 11189 C CZ . PHE H 4 68 ? 9.905 -10.544 -13.368 1.00 17.26 ? 81 PHE H CZ 1 ATOM 11190 N N . PRO H 4 69 ? 6.271 -14.950 -9.490 1.00 18.28 ? 83 PRO H N 1 ATOM 11191 C CA . PRO H 4 69 ? 5.254 -15.884 -8.962 1.00 18.83 ? 83 PRO H CA 1 ATOM 11192 C C . PRO H 4 69 ? 5.052 -17.142 -9.823 1.00 24.25 ? 83 PRO H C 1 ATOM 11193 O O . PRO H 4 69 ? 4.756 -18.196 -9.260 1.00 24.22 ? 83 PRO H O 1 ATOM 11194 C CB . PRO H 4 69 ? 3.986 -15.033 -8.931 1.00 21.06 ? 83 PRO H CB 1 ATOM 11195 C CG . PRO H 4 69 ? 4.489 -13.638 -8.870 1.00 25.26 ? 83 PRO H CG 1 ATOM 11196 C CD . PRO H 4 69 ? 5.682 -13.621 -9.734 1.00 20.39 ? 83 PRO H CD 1 ATOM 11197 N N . ASP H 4 70 ? 5.248 -17.046 -11.167 1.00 21.88 ? 84 ASP H N 1 ATOM 11198 C CA . ASP H 4 70 ? 5.149 -18.194 -12.083 1.00 22.47 ? 84 ASP H CA 1 ATOM 11199 C C . ASP H 4 70 ? 6.375 -19.125 -11.901 1.00 25.86 ? 84 ASP H C 1 ATOM 11200 O O . ASP H 4 70 ? 6.498 -20.131 -12.603 1.00 25.94 ? 84 ASP H O 1 ATOM 11201 C CB . ASP H 4 70 ? 4.977 -17.751 -13.557 1.00 25.34 ? 84 ASP H CB 1 ATOM 11202 C CG . ASP H 4 70 ? 6.178 -17.129 -14.269 1.00 35.97 ? 84 ASP H CG 1 ATOM 11203 O OD1 . ASP H 4 70 ? 7.253 -17.000 -13.634 1.00 36.18 -1 84 ASP H OD1 1 ATOM 11204 O OD2 . ASP H 4 70 ? 6.040 -16.773 -15.463 1.00 41.50 ? 84 ASP H OD2 1 ATOM 11205 N N . LEU H 4 71 ? 7.282 -18.744 -10.959 1.00 20.91 ? 85 LEU H N 1 ATOM 11206 C CA . LEU H 4 71 ? 8.494 -19.414 -10.456 1.00 19.21 ? 85 LEU H CA 1 ATOM 11207 C C . LEU H 4 71 ? 9.710 -19.251 -11.381 1.00 22.49 ? 85 LEU H C 1 ATOM 11208 O O . LEU H 4 71 ? 10.809 -19.690 -11.013 1.00 22.19 ? 85 LEU H O 1 ATOM 11209 C CB . LEU H 4 71 ? 8.245 -20.894 -10.113 1.00 19.03 ? 85 LEU H CB 1 ATOM 11210 C CG . LEU H 4 71 ? 7.162 -21.110 -9.038 1.00 22.92 ? 85 LEU H CG 1 ATOM 11211 C CD1 . LEU H 4 71 ? 6.564 -22.479 -9.136 1.00 23.55 ? 85 LEU H CD1 1 ATOM 11212 C CD2 . LEU H 4 71 ? 7.681 -20.805 -7.631 1.00 22.81 ? 85 LEU H CD2 1 ATOM 11213 N N . HIS H 4 72 ? 9.550 -18.536 -12.518 1.00 18.19 ? 86 HIS H N 1 ATOM 11214 C CA . HIS H 4 72 ? 10.675 -18.263 -13.409 1.00 17.18 ? 86 HIS H CA 1 ATOM 11215 C C . HIS H 4 72 ? 11.597 -17.226 -12.738 1.00 19.79 ? 86 HIS H C 1 ATOM 11216 O O . HIS H 4 72 ? 11.136 -16.334 -12.023 1.00 19.43 ? 86 HIS H O 1 ATOM 11217 C CB . HIS H 4 72 ? 10.224 -17.846 -14.833 1.00 18.45 ? 86 HIS H CB 1 ATOM 11218 C CG . HIS H 4 72 ? 10.296 -16.380 -15.133 1.00 22.10 ? 86 HIS H CG 1 ATOM 11219 N ND1 . HIS H 4 72 ? 9.179 -15.568 -15.034 1.00 24.32 ? 86 HIS H ND1 1 ATOM 11220 C CD2 . HIS H 4 72 ? 11.338 -15.634 -15.572 1.00 23.77 ? 86 HIS H CD2 1 ATOM 11221 C CE1 . HIS H 4 72 ? 9.575 -14.359 -15.397 1.00 23.84 ? 86 HIS H CE1 1 ATOM 11222 N NE2 . HIS H 4 72 ? 10.870 -14.345 -15.716 1.00 23.93 ? 86 HIS H NE2 1 ATOM 11223 N N . SER H 4 73 ? 12.894 -17.382 -12.947 1.00 16.04 ? 87 SER H N 1 ATOM 11224 C CA . SER H 4 73 ? 13.883 -16.496 -12.363 1.00 15.47 ? 87 SER H CA 1 ATOM 11225 C C . SER H 4 73 ? 14.574 -15.642 -13.421 1.00 20.36 ? 87 SER H C 1 ATOM 11226 O O . SER H 4 73 ? 14.666 -16.027 -14.579 1.00 20.10 ? 87 SER H O 1 ATOM 11227 C CB . SER H 4 73 ? 14.916 -17.295 -11.574 1.00 18.80 ? 87 SER H CB 1 ATOM 11228 O OG . SER H 4 73 ? 15.852 -16.431 -10.948 1.00 26.90 ? 87 SER H OG 1 ATOM 11229 N N . GLU H 4 74 ? 15.047 -14.466 -12.995 1.00 17.54 ? 88 GLU H N 1 ATOM 11230 C CA . GLU H 4 74 ? 15.788 -13.494 -13.787 1.00 17.65 ? 88 GLU H CA 1 ATOM 11231 C C . GLU H 4 74 ? 17.081 -13.131 -13.037 1.00 22.68 ? 88 GLU H C 1 ATOM 11232 O O . GLU H 4 74 ? 17.014 -12.723 -11.877 1.00 22.54 ? 88 GLU H O 1 ATOM 11233 C CB . GLU H 4 74 ? 14.931 -12.244 -14.063 1.00 19.79 ? 88 GLU H CB 1 ATOM 11234 C CG . GLU H 4 74 ? 13.745 -12.484 -14.991 1.00 31.35 ? 88 GLU H CG 1 ATOM 11235 C CD . GLU H 4 74 ? 13.006 -11.272 -15.538 1.00 52.32 ? 88 GLU H CD 1 ATOM 11236 O OE1 . GLU H 4 74 ? 13.451 -10.126 -15.292 1.00 50.81 ? 88 GLU H OE1 1 ATOM 11237 O OE2 . GLU H 4 74 ? 11.976 -11.474 -16.223 1.00 45.64 -1 88 GLU H OE2 1 ATOM 11238 N N . LEU H 4 75 ? 18.255 -13.343 -13.670 1.00 19.60 ? 89 LEU H N 1 ATOM 11239 C CA . LEU H 4 75 ? 19.560 -13.001 -13.106 1.00 19.05 ? 89 LEU H CA 1 ATOM 11240 C C . LEU H 4 75 ? 20.072 -11.751 -13.816 1.00 23.68 ? 89 LEU H C 1 ATOM 11241 O O . LEU H 4 75 ? 20.346 -11.794 -15.017 1.00 23.62 ? 89 LEU H O 1 ATOM 11242 C CB . LEU H 4 75 ? 20.570 -14.166 -13.206 1.00 18.62 ? 89 LEU H CB 1 ATOM 11243 C CG . LEU H 4 75 ? 21.979 -13.897 -12.621 1.00 23.44 ? 89 LEU H CG 1 ATOM 11244 C CD1 . LEU H 4 75 ? 21.965 -13.857 -11.079 1.00 23.84 ? 89 LEU H CD1 1 ATOM 11245 C CD2 . LEU H 4 75 ? 22.971 -14.922 -13.101 1.00 24.57 ? 89 LEU H CD2 1 ATOM 11246 N N . ASN H 4 76 ? 20.177 -10.643 -13.073 1.00 20.89 ? 90 ASN H N 1 ATOM 11247 C CA . ASN H 4 76 ? 20.601 -9.339 -13.585 1.00 21.77 ? 90 ASN H CA 1 ATOM 11248 C C . ASN H 4 76 ? 22.054 -9.020 -13.221 1.00 26.07 ? 90 ASN H C 1 ATOM 11249 O O . ASN H 4 76 ? 22.396 -8.854 -12.044 1.00 25.44 ? 90 ASN H O 1 ATOM 11250 C CB . ASN H 4 76 ? 19.675 -8.246 -13.074 1.00 24.12 ? 90 ASN H CB 1 ATOM 11251 C CG . ASN H 4 76 ? 18.298 -8.341 -13.666 1.00 42.65 ? 90 ASN H CG 1 ATOM 11252 O OD1 . ASN H 4 76 ? 18.094 -8.081 -14.857 1.00 40.63 ? 90 ASN H OD1 1 ATOM 11253 N ND2 . ASN H 4 76 ? 17.335 -8.746 -12.856 1.00 24.47 ? 90 ASN H ND2 1 ATOM 11254 N N . LEU H 4 77 ? 22.900 -8.932 -14.256 1.00 22.98 ? 91 LEU H N 1 ATOM 11255 C CA . LEU H 4 77 ? 24.320 -8.634 -14.114 1.00 23.24 ? 91 LEU H CA 1 ATOM 11256 C C . LEU H 4 77 ? 24.590 -7.238 -14.688 1.00 28.69 ? 91 LEU H C 1 ATOM 11257 O O . LEU H 4 77 ? 24.464 -7.044 -15.894 1.00 28.45 ? 91 LEU H O 1 ATOM 11258 C CB . LEU H 4 77 ? 25.183 -9.719 -14.813 1.00 22.49 ? 91 LEU H CB 1 ATOM 11259 C CG . LEU H 4 77 ? 24.768 -11.193 -14.642 1.00 25.90 ? 91 LEU H CG 1 ATOM 11260 C CD1 . LEU H 4 77 ? 25.465 -12.077 -15.652 1.00 25.71 ? 91 LEU H CD1 1 ATOM 11261 C CD2 . LEU H 4 77 ? 25.024 -11.700 -13.229 1.00 27.22 ? 91 LEU H CD2 1 ATOM 11262 N N . SER H 4 78 ? 24.905 -6.258 -13.817 1.00 26.14 ? 92 SER H N 1 ATOM 11263 C CA . SER H 4 78 ? 25.168 -4.866 -14.212 1.00 26.66 ? 92 SER H CA 1 ATOM 11264 C C . SER H 4 78 ? 26.657 -4.504 -14.120 1.00 30.28 ? 92 SER H C 1 ATOM 11265 O O . SER H 4 78 ? 27.423 -5.220 -13.466 1.00 28.70 ? 92 SER H O 1 ATOM 11266 C CB . SER H 4 78 ? 24.348 -3.904 -13.356 1.00 30.08 ? 92 SER H CB 1 ATOM 11267 O OG . SER H 4 78 ? 24.788 -3.841 -12.010 1.00 37.73 ? 92 SER H OG 1 ATOM 11268 N N . SER H 4 79 ? 27.049 -3.373 -14.768 1.00 28.68 ? 93 SER H N 1 ATOM 11269 C CA . SER H 4 79 ? 28.415 -2.819 -14.823 1.00 30.04 ? 93 SER H CA 1 ATOM 11270 C C . SER H 4 79 ? 29.409 -3.956 -15.116 1.00 33.40 ? 93 SER H C 1 ATOM 11271 O O . SER H 4 79 ? 30.340 -4.230 -14.342 1.00 32.88 ? 93 SER H O 1 ATOM 11272 C CB . SER H 4 79 ? 28.756 -2.073 -13.532 1.00 35.29 ? 93 SER H CB 1 ATOM 11273 O OG . SER H 4 79 ? 27.767 -1.105 -13.217 1.00 46.18 ? 93 SER H OG 1 ATOM 11274 N N . LEU H 4 80 ? 29.144 -4.650 -16.235 1.00 29.02 ? 94 LEU H N 1 ATOM 11275 C CA . LEU H 4 80 ? 29.869 -5.833 -16.657 1.00 28.16 ? 94 LEU H CA 1 ATOM 11276 C C . LEU H 4 80 ? 31.343 -5.568 -16.923 1.00 31.78 ? 94 LEU H C 1 ATOM 11277 O O . LEU H 4 80 ? 31.713 -4.524 -17.458 1.00 31.98 ? 94 LEU H O 1 ATOM 11278 C CB . LEU H 4 80 ? 29.206 -6.477 -17.881 1.00 27.79 ? 94 LEU H CB 1 ATOM 11279 C CG . LEU H 4 80 ? 27.844 -7.156 -17.613 1.00 31.95 ? 94 LEU H CG 1 ATOM 11280 C CD1 . LEU H 4 80 ? 27.085 -7.355 -18.890 1.00 31.88 ? 94 LEU H CD1 1 ATOM 11281 C CD2 . LEU H 4 80 ? 28.002 -8.472 -16.868 1.00 32.82 ? 94 LEU H CD2 1 ATOM 11282 N N . GLU H 4 81 ? 32.174 -6.523 -16.479 1.00 27.52 ? 95 GLU H N 1 ATOM 11283 C CA . GLU H 4 81 ? 33.631 -6.565 -16.615 1.00 27.51 ? 95 GLU H CA 1 ATOM 11284 C C . GLU H 4 81 ? 34.005 -7.764 -17.481 1.00 28.96 ? 95 GLU H C 1 ATOM 11285 O O . GLU H 4 81 ? 33.166 -8.649 -17.676 1.00 28.08 ? 95 GLU H O 1 ATOM 11286 C CB . GLU H 4 81 ? 34.301 -6.674 -15.233 1.00 29.49 ? 95 GLU H CB 1 ATOM 11287 C CG . GLU H 4 81 ? 34.174 -5.436 -14.360 1.00 42.57 ? 95 GLU H CG 1 ATOM 11288 C CD . GLU H 4 81 ? 34.475 -5.643 -12.886 1.00 69.18 ? 95 GLU H CD 1 ATOM 11289 O OE1 . GLU H 4 81 ? 35.394 -6.431 -12.560 1.00 56.49 ? 95 GLU H OE1 1 ATOM 11290 O OE2 . GLU H 4 81 ? 33.797 -4.998 -12.053 1.00 69.33 -1 95 GLU H OE2 1 ATOM 11291 N N . LEU H 4 82 ? 35.258 -7.821 -17.978 1.00 25.08 ? 96 LEU H N 1 ATOM 11292 C CA . LEU H 4 82 ? 35.726 -8.933 -18.814 1.00 23.87 ? 96 LEU H CA 1 ATOM 11293 C C . LEU H 4 82 ? 35.728 -10.260 -18.033 1.00 26.80 ? 96 LEU H C 1 ATOM 11294 O O . LEU H 4 82 ? 35.524 -11.319 -18.628 1.00 24.67 ? 96 LEU H O 1 ATOM 11295 C CB . LEU H 4 82 ? 37.130 -8.645 -19.376 1.00 24.32 ? 96 LEU H CB 1 ATOM 11296 C CG . LEU H 4 82 ? 37.299 -7.404 -20.259 1.00 29.54 ? 96 LEU H CG 1 ATOM 11297 C CD1 . LEU H 4 82 ? 38.744 -6.955 -20.272 1.00 30.21 ? 96 LEU H CD1 1 ATOM 11298 C CD2 . LEU H 4 82 ? 36.833 -7.656 -21.687 1.00 30.30 ? 96 LEU H CD2 1 ATOM 11299 N N . GLY H 4 83 ? 35.928 -10.170 -16.708 1.00 24.45 ? 97 GLY H N 1 ATOM 11300 C CA . GLY H 4 83 ? 35.939 -11.300 -15.784 1.00 23.81 ? 97 GLY H CA 1 ATOM 11301 C C . GLY H 4 83 ? 34.583 -11.947 -15.570 1.00 27.80 ? 97 GLY H C 1 ATOM 11302 O O . GLY H 4 83 ? 34.506 -13.035 -14.992 1.00 28.08 ? 97 GLY H O 1 ATOM 11303 N N . ASP H 4 84 ? 33.498 -11.283 -16.034 1.00 23.16 ? 98 ASP H N 1 ATOM 11304 C CA . ASP H 4 84 ? 32.127 -11.783 -15.935 1.00 21.94 ? 98 ASP H CA 1 ATOM 11305 C C . ASP H 4 84 ? 31.813 -12.738 -17.093 1.00 25.90 ? 98 ASP H C 1 ATOM 11306 O O . ASP H 4 84 ? 30.736 -13.343 -17.102 1.00 25.69 ? 98 ASP H O 1 ATOM 11307 C CB . ASP H 4 84 ? 31.117 -10.620 -15.897 1.00 23.73 ? 98 ASP H CB 1 ATOM 11308 C CG . ASP H 4 84 ? 31.287 -9.637 -14.745 1.00 29.47 ? 98 ASP H CG 1 ATOM 11309 O OD1 . ASP H 4 84 ? 31.756 -10.057 -13.663 1.00 27.62 ? 98 ASP H OD1 1 ATOM 11310 O OD2 . ASP H 4 84 ? 30.905 -8.466 -14.908 1.00 36.64 -1 98 ASP H OD2 1 ATOM 11311 N N . SER H 4 85 ? 32.744 -12.874 -18.070 1.00 22.15 ? 99 SER H N 1 ATOM 11312 C CA . SER H 4 85 ? 32.608 -13.785 -19.214 1.00 21.16 ? 99 SER H CA 1 ATOM 11313 C C . SER H 4 85 ? 32.682 -15.209 -18.706 1.00 26.55 ? 99 SER H C 1 ATOM 11314 O O . SER H 4 85 ? 33.732 -15.654 -18.221 1.00 27.34 ? 99 SER H O 1 ATOM 11315 C CB . SER H 4 85 ? 33.670 -13.524 -20.279 1.00 22.78 ? 99 SER H CB 1 ATOM 11316 O OG . SER H 4 85 ? 33.597 -12.189 -20.749 1.00 30.41 ? 99 SER H OG 1 ATOM 11317 N N . ALA H 4 86 ? 31.533 -15.897 -18.749 1.00 22.10 ? 100 ALA H N 1 ATOM 11318 C CA . ALA H 4 86 ? 31.380 -17.249 -18.227 1.00 21.12 ? 100 ALA H CA 1 ATOM 11319 C C . ALA H 4 86 ? 30.062 -17.857 -18.655 1.00 23.81 ? 100 ALA H C 1 ATOM 11320 O O . ALA H 4 86 ? 29.265 -17.227 -19.357 1.00 22.30 ? 100 ALA H O 1 ATOM 11321 C CB . ALA H 4 86 ? 31.442 -17.212 -16.692 1.00 21.82 ? 100 ALA H CB 1 ATOM 11322 N N . LEU H 4 87 ? 29.831 -19.090 -18.191 1.00 20.59 ? 101 LEU H N 1 ATOM 11323 C CA . LEU H 4 87 ? 28.584 -19.806 -18.355 1.00 20.05 ? 101 LEU H CA 1 ATOM 11324 C C . LEU H 4 87 ? 27.758 -19.589 -17.089 1.00 21.86 ? 101 LEU H C 1 ATOM 11325 O O . LEU H 4 87 ? 28.298 -19.696 -15.985 1.00 20.91 ? 101 LEU H O 1 ATOM 11326 C CB . LEU H 4 87 ? 28.842 -21.296 -18.606 1.00 20.12 ? 101 LEU H CB 1 ATOM 11327 C CG . LEU H 4 87 ? 29.130 -21.682 -20.051 1.00 25.39 ? 101 LEU H CG 1 ATOM 11328 C CD1 . LEU H 4 87 ? 29.924 -22.958 -20.113 1.00 25.67 ? 101 LEU H CD1 1 ATOM 11329 C CD2 . LEU H 4 87 ? 27.834 -21.833 -20.857 1.00 29.47 ? 101 LEU H CD2 1 ATOM 11330 N N . TYR H 4 88 ? 26.480 -19.226 -17.245 1.00 16.68 ? 102 TYR H N 1 ATOM 11331 C CA . TYR H 4 88 ? 25.581 -19.027 -16.115 1.00 15.82 ? 102 TYR H CA 1 ATOM 11332 C C . TYR H 4 88 ? 24.483 -20.061 -16.203 1.00 21.66 ? 102 TYR H C 1 ATOM 11333 O O . TYR H 4 88 ? 23.701 -20.058 -17.159 1.00 21.92 ? 102 TYR H O 1 ATOM 11334 C CB . TYR H 4 88 ? 25.023 -17.591 -16.062 1.00 15.48 ? 102 TYR H CB 1 ATOM 11335 C CG . TYR H 4 88 ? 26.090 -16.560 -15.779 1.00 15.36 ? 102 TYR H CG 1 ATOM 11336 C CD1 . TYR H 4 88 ? 26.873 -16.038 -16.805 1.00 17.08 ? 102 TYR H CD1 1 ATOM 11337 C CD2 . TYR H 4 88 ? 26.344 -16.131 -14.481 1.00 15.60 ? 102 TYR H CD2 1 ATOM 11338 C CE1 . TYR H 4 88 ? 27.881 -15.111 -16.547 1.00 17.62 ? 102 TYR H CE1 1 ATOM 11339 C CE2 . TYR H 4 88 ? 27.347 -15.200 -14.210 1.00 16.69 ? 102 TYR H CE2 1 ATOM 11340 C CZ . TYR H 4 88 ? 28.125 -14.706 -15.246 1.00 21.88 ? 102 TYR H CZ 1 ATOM 11341 O OH . TYR H 4 88 ? 29.125 -13.799 -14.994 1.00 19.26 ? 102 TYR H OH 1 ATOM 11342 N N . PHE H 4 89 ? 24.482 -20.997 -15.241 1.00 18.72 ? 103 PHE H N 1 ATOM 11343 C CA . PHE H 4 89 ? 23.515 -22.081 -15.184 1.00 18.55 ? 103 PHE H CA 1 ATOM 11344 C C . PHE H 4 89 ? 22.481 -21.870 -14.104 1.00 24.61 ? 103 PHE H C 1 ATOM 11345 O O . PHE H 4 89 ? 22.793 -21.555 -12.951 1.00 24.25 ? 103 PHE H O 1 ATOM 11346 C CB . PHE H 4 89 ? 24.187 -23.442 -14.945 1.00 19.79 ? 103 PHE H CB 1 ATOM 11347 C CG . PHE H 4 89 ? 25.132 -23.917 -16.016 1.00 20.93 ? 103 PHE H CG 1 ATOM 11348 C CD1 . PHE H 4 89 ? 24.655 -24.555 -17.154 1.00 24.22 ? 103 PHE H CD1 1 ATOM 11349 C CD2 . PHE H 4 89 ? 26.508 -23.798 -15.853 1.00 22.08 ? 103 PHE H CD2 1 ATOM 11350 C CE1 . PHE H 4 89 ? 25.535 -24.981 -18.154 1.00 24.98 ? 103 PHE H CE1 1 ATOM 11351 C CE2 . PHE H 4 89 ? 27.388 -24.242 -16.844 1.00 24.85 ? 103 PHE H CE2 1 ATOM 11352 C CZ . PHE H 4 89 ? 26.896 -24.839 -17.983 1.00 23.47 ? 103 PHE H CZ 1 ATOM 11353 N N . CYS H 4 90 ? 21.246 -22.132 -14.485 1.00 22.48 ? 104 CYS H N 1 ATOM 11354 C CA . CYS H 4 90 ? 20.110 -22.137 -13.606 1.00 23.15 ? 104 CYS H CA 1 ATOM 11355 C C . CYS H 4 90 ? 19.801 -23.582 -13.273 1.00 23.47 ? 104 CYS H C 1 ATOM 11356 O O . CYS H 4 90 ? 19.804 -24.429 -14.166 1.00 23.33 ? 104 CYS H O 1 ATOM 11357 C CB . CYS H 4 90 ? 18.918 -21.452 -14.263 1.00 25.37 ? 104 CYS H CB 1 ATOM 11358 S SG . CYS H 4 90 ? 17.413 -21.496 -13.266 1.00 30.37 ? 104 CYS H SG 1 ATOM 11359 N N . ALA H 4 91 ? 19.544 -23.868 -11.995 1.00 16.58 ? 105 ALA H N 1 ATOM 11360 C CA . ALA H 4 91 ? 19.165 -25.198 -11.540 1.00 15.61 ? 105 ALA H CA 1 ATOM 11361 C C . ALA H 4 91 ? 17.837 -25.119 -10.785 1.00 18.30 ? 105 ALA H C 1 ATOM 11362 O O . ALA H 4 91 ? 17.522 -24.084 -10.200 1.00 18.97 ? 105 ALA H O 1 ATOM 11363 C CB . ALA H 4 91 ? 20.257 -25.794 -10.659 1.00 16.23 ? 105 ALA H CB 1 ATOM 11364 N N . SER H 4 92 ? 17.043 -26.180 -10.828 1.00 12.77 ? 106 SER H N 1 ATOM 11365 C CA . SER H 4 92 ? 15.799 -26.199 -10.088 1.00 11.53 ? 106 SER H CA 1 ATOM 11366 C C . SER H 4 92 ? 15.636 -27.529 -9.366 1.00 15.96 ? 106 SER H C 1 ATOM 11367 O O . SER H 4 92 ? 16.199 -28.540 -9.775 1.00 16.02 ? 106 SER H O 1 ATOM 11368 C CB . SER H 4 92 ? 14.598 -25.886 -10.982 1.00 13.82 ? 106 SER H CB 1 ATOM 11369 O OG . SER H 4 92 ? 14.189 -26.951 -11.820 1.00 19.02 ? 106 SER H OG 1 ATOM 11370 N N . SER H 4 93 ? 14.919 -27.487 -8.240 1.00 12.37 ? 107 SER H N 1 ATOM 11371 C CA . SER H 4 93 ? 14.601 -28.631 -7.396 1.00 12.67 ? 107 SER H CA 1 ATOM 11372 C C . SER H 4 93 ? 13.171 -28.479 -6.895 1.00 16.40 ? 107 SER H C 1 ATOM 11373 O O . SER H 4 93 ? 12.656 -27.359 -6.840 1.00 16.04 ? 107 SER H O 1 ATOM 11374 C CB . SER H 4 93 ? 15.603 -28.760 -6.246 1.00 16.33 ? 107 SER H CB 1 ATOM 11375 O OG . SER H 4 93 ? 15.534 -27.682 -5.332 1.00 26.37 ? 107 SER H OG 1 ATOM 11376 N N . VAL H 4 94 ? 12.518 -29.606 -6.587 1.00 13.13 ? 108 VAL H N 1 ATOM 11377 C CA . VAL H 4 94 ? 11.124 -29.691 -6.133 1.00 13.28 ? 108 VAL H CA 1 ATOM 11378 C C . VAL H 4 94 ? 10.916 -28.792 -4.893 1.00 17.54 ? 108 VAL H C 1 ATOM 11379 O O . VAL H 4 94 ? 10.081 -27.883 -4.925 1.00 16.14 ? 108 VAL H O 1 ATOM 11380 C CB . VAL H 4 94 ? 10.712 -31.175 -5.870 1.00 17.72 ? 108 VAL H CB 1 ATOM 11381 C CG1 . VAL H 4 94 ? 9.326 -31.265 -5.237 1.00 17.84 ? 108 VAL H CG1 1 ATOM 11382 C CG2 . VAL H 4 94 ? 10.762 -32.007 -7.159 1.00 18.23 ? 108 VAL H CG2 1 ATOM 11383 N N . ALA H 4 95 ? 11.705 -29.037 -3.832 1.00 15.70 ? 109 ALA H N 1 ATOM 11384 C CA . ALA H 4 95 ? 11.661 -28.280 -2.587 1.00 15.37 ? 109 ALA H CA 1 ATOM 11385 C C . ALA H 4 95 ? 13.030 -27.582 -2.360 1.00 19.29 ? 109 ALA H C 1 ATOM 11386 O O . ALA H 4 95 ? 13.951 -27.849 -3.133 1.00 18.79 ? 109 ALA H O 1 ATOM 11387 C CB . ALA H 4 95 ? 11.280 -29.204 -1.428 1.00 16.69 ? 109 ALA H CB 1 ATOM 11388 N N . PRO H 4 96 ? 13.201 -26.653 -1.384 1.00 16.89 ? 110 PRO H N 1 ATOM 11389 C CA . PRO H 4 96 ? 14.473 -25.913 -1.291 1.00 17.29 ? 110 PRO H CA 1 ATOM 11390 C C . PRO H 4 96 ? 15.523 -26.480 -0.314 1.00 22.57 ? 110 PRO H C 1 ATOM 11391 O O . PRO H 4 96 ? 16.440 -25.751 0.089 1.00 22.61 ? 110 PRO H O 1 ATOM 11392 C CB . PRO H 4 96 ? 14.000 -24.529 -0.835 1.00 18.68 ? 110 PRO H CB 1 ATOM 11393 C CG . PRO H 4 96 ? 12.842 -24.828 0.036 1.00 22.45 ? 110 PRO H CG 1 ATOM 11394 C CD . PRO H 4 96 ? 12.229 -26.125 -0.408 1.00 18.07 ? 110 PRO H CD 1 ATOM 11395 N N . GLY H 4 97 ? 15.402 -27.758 0.023 1.00 18.69 ? 111 GLY H N 1 ATOM 11396 C CA . GLY H 4 97 ? 16.321 -28.434 0.926 1.00 18.48 ? 111 GLY H CA 1 ATOM 11397 C C . GLY H 4 97 ? 17.439 -29.152 0.208 1.00 22.55 ? 111 GLY H C 1 ATOM 11398 O O . GLY H 4 97 ? 18.140 -28.558 -0.620 1.00 22.55 ? 111 GLY H O 1 ATOM 11399 N N . SER H 4 98 ? 17.597 -30.448 0.503 1.00 19.13 ? 113 SER H N 1 ATOM 11400 C CA . SER H 4 98 ? 18.647 -31.276 -0.097 1.00 19.23 ? 113 SER H CA 1 ATOM 11401 C C . SER H 4 98 ? 18.184 -31.936 -1.395 1.00 23.55 ? 113 SER H C 1 ATOM 11402 O O . SER H 4 98 ? 18.915 -32.756 -1.963 1.00 24.18 ? 113 SER H O 1 ATOM 11403 C CB . SER H 4 98 ? 19.126 -32.334 0.890 1.00 23.00 ? 113 SER H CB 1 ATOM 11404 O OG . SER H 4 98 ? 19.703 -31.713 2.023 1.00 29.73 ? 113 SER H OG 1 ATOM 11405 N N . ASP H 4 99 ? 16.986 -31.553 -1.883 1.00 19.25 ? 114 ASP H N 1 ATOM 11406 C CA . ASP H 4 99 ? 16.389 -32.025 -3.134 1.00 18.92 ? 114 ASP H CA 1 ATOM 11407 C C . ASP H 4 99 ? 17.360 -31.897 -4.290 1.00 21.76 ? 114 ASP H C 1 ATOM 11408 O O . ASP H 4 99 ? 18.116 -30.925 -4.360 1.00 20.43 ? 114 ASP H O 1 ATOM 11409 C CB . ASP H 4 99 ? 15.115 -31.232 -3.456 1.00 20.75 ? 114 ASP H CB 1 ATOM 11410 C CG . ASP H 4 99 ? 14.099 -31.237 -2.339 1.00 33.99 ? 114 ASP H CG 1 ATOM 11411 O OD1 . ASP H 4 99 ? 14.333 -30.547 -1.322 1.00 34.07 ? 114 ASP H OD1 1 ATOM 11412 O OD2 . ASP H 4 99 ? 13.062 -31.914 -2.488 1.00 43.23 -1 114 ASP H OD2 1 ATOM 11413 N N . THR H 4 100 ? 17.337 -32.884 -5.194 1.00 20.09 ? 115 THR H N 1 ATOM 11414 C CA . THR H 4 100 ? 18.192 -32.949 -6.368 1.00 20.04 ? 115 THR H CA 1 ATOM 11415 C C . THR H 4 100 ? 18.004 -31.707 -7.239 1.00 22.06 ? 115 THR H C 1 ATOM 11416 O O . THR H 4 100 ? 16.877 -31.366 -7.611 1.00 20.89 ? 115 THR H O 1 ATOM 11417 C CB . THR H 4 100 ? 17.920 -34.235 -7.155 1.00 31.69 ? 115 THR H CB 1 ATOM 11418 O OG1 . THR H 4 100 ? 17.992 -35.358 -6.272 1.00 36.78 ? 115 THR H OG1 1 ATOM 11419 C CG2 . THR H 4 100 ? 18.889 -34.421 -8.303 1.00 28.46 ? 115 THR H CG2 1 ATOM 11420 N N . GLN H 4 101 ? 19.123 -31.039 -7.547 1.00 17.68 ? 116 GLN H N 1 ATOM 11421 C CA . GLN H 4 101 ? 19.167 -29.842 -8.378 1.00 16.54 ? 116 GLN H CA 1 ATOM 11422 C C . GLN H 4 101 ? 19.392 -30.226 -9.858 1.00 21.20 ? 116 GLN H C 1 ATOM 11423 O O . GLN H 4 101 ? 20.347 -30.927 -10.189 1.00 20.79 ? 116 GLN H O 1 ATOM 11424 C CB . GLN H 4 101 ? 20.245 -28.880 -7.870 1.00 16.91 ? 116 GLN H CB 1 ATOM 11425 C CG . GLN H 4 101 ? 19.908 -28.267 -6.512 1.00 20.47 ? 116 GLN H CG 1 ATOM 11426 C CD . GLN H 4 101 ? 20.982 -27.322 -6.033 1.00 33.81 ? 116 GLN H CD 1 ATOM 11427 O OE1 . GLN H 4 101 ? 21.671 -26.652 -6.820 1.00 28.37 ? 116 GLN H OE1 1 ATOM 11428 N NE2 . GLN H 4 101 ? 21.121 -27.217 -4.723 1.00 22.60 ? 116 GLN H NE2 1 ATOM 11429 N N . TYR H 4 102 ? 18.466 -29.795 -10.734 1.00 18.24 ? 117 TYR H N 1 ATOM 11430 C CA . TYR H 4 102 ? 18.487 -30.091 -12.167 1.00 18.09 ? 117 TYR H CA 1 ATOM 11431 C C . TYR H 4 102 ? 18.846 -28.844 -12.954 1.00 21.49 ? 117 TYR H C 1 ATOM 11432 O O . TYR H 4 102 ? 18.148 -27.842 -12.870 1.00 21.39 ? 117 TYR H O 1 ATOM 11433 C CB . TYR H 4 102 ? 17.146 -30.673 -12.603 1.00 19.34 ? 117 TYR H CB 1 ATOM 11434 C CG . TYR H 4 102 ? 16.897 -32.046 -12.024 1.00 21.04 ? 117 TYR H CG 1 ATOM 11435 C CD1 . TYR H 4 102 ? 16.300 -32.200 -10.776 1.00 22.83 ? 117 TYR H CD1 1 ATOM 11436 C CD2 . TYR H 4 102 ? 17.289 -33.196 -12.708 1.00 22.49 ? 117 TYR H CD2 1 ATOM 11437 C CE1 . TYR H 4 102 ? 16.060 -33.465 -10.241 1.00 24.14 ? 117 TYR H CE1 1 ATOM 11438 C CE2 . TYR H 4 102 ? 17.060 -34.466 -12.180 1.00 24.31 ? 117 TYR H CE2 1 ATOM 11439 C CZ . TYR H 4 102 ? 16.447 -34.594 -10.945 1.00 32.62 ? 117 TYR H CZ 1 ATOM 11440 O OH . TYR H 4 102 ? 16.223 -35.838 -10.414 1.00 36.45 ? 117 TYR H OH 1 ATOM 11441 N N . PHE H 4 103 ? 19.957 -28.903 -13.694 1.00 17.16 ? 118 PHE H N 1 ATOM 11442 C CA . PHE H 4 103 ? 20.515 -27.774 -14.429 1.00 16.65 ? 118 PHE H CA 1 ATOM 11443 C C . PHE H 4 103 ? 19.894 -27.562 -15.801 1.00 23.04 ? 118 PHE H C 1 ATOM 11444 O O . PHE H 4 103 ? 19.417 -28.503 -16.437 1.00 23.68 ? 118 PHE H O 1 ATOM 11445 C CB . PHE H 4 103 ? 22.038 -27.947 -14.570 1.00 17.88 ? 118 PHE H CB 1 ATOM 11446 C CG . PHE H 4 103 ? 22.787 -27.738 -13.274 1.00 18.38 ? 118 PHE H CG 1 ATOM 11447 C CD1 . PHE H 4 103 ? 22.791 -28.719 -12.285 1.00 20.91 ? 118 PHE H CD1 1 ATOM 11448 C CD2 . PHE H 4 103 ? 23.478 -26.558 -13.036 1.00 19.36 ? 118 PHE H CD2 1 ATOM 11449 C CE1 . PHE H 4 103 ? 23.449 -28.510 -11.073 1.00 21.37 ? 118 PHE H CE1 1 ATOM 11450 C CE2 . PHE H 4 103 ? 24.163 -26.361 -11.835 1.00 21.83 ? 118 PHE H CE2 1 ATOM 11451 C CZ . PHE H 4 103 ? 24.137 -27.334 -10.857 1.00 19.88 ? 118 PHE H CZ 1 ATOM 11452 N N . GLY H 4 104 ? 19.893 -26.299 -16.216 1.00 20.46 ? 119 GLY H N 1 ATOM 11453 C CA . GLY H 4 104 ? 19.440 -25.852 -17.526 1.00 20.89 ? 119 GLY H CA 1 ATOM 11454 C C . GLY H 4 104 ? 20.597 -25.875 -18.509 1.00 25.42 ? 119 GLY H C 1 ATOM 11455 O O . GLY H 4 104 ? 21.736 -26.137 -18.104 1.00 24.38 ? 119 GLY H O 1 ATOM 11456 N N . PRO H 4 105 ? 20.351 -25.583 -19.812 1.00 22.90 ? 120 PRO H N 1 ATOM 11457 C CA . PRO H 4 105 ? 21.444 -25.637 -20.806 1.00 22.69 ? 120 PRO H CA 1 ATOM 11458 C C . PRO H 4 105 ? 22.540 -24.590 -20.607 1.00 26.81 ? 120 PRO H C 1 ATOM 11459 O O . PRO H 4 105 ? 23.622 -24.730 -21.175 1.00 26.35 ? 120 PRO H O 1 ATOM 11460 C CB . PRO H 4 105 ? 20.715 -25.408 -22.132 1.00 25.19 ? 120 PRO H CB 1 ATOM 11461 C CG . PRO H 4 105 ? 19.471 -24.680 -21.755 1.00 29.64 ? 120 PRO H CG 1 ATOM 11462 C CD . PRO H 4 105 ? 19.060 -25.265 -20.457 1.00 24.81 ? 120 PRO H CD 1 ATOM 11463 N N . GLY H 4 106 ? 22.249 -23.557 -19.818 1.00 23.67 ? 121 GLY H N 1 ATOM 11464 C CA . GLY H 4 106 ? 23.182 -22.476 -19.526 1.00 22.70 ? 121 GLY H CA 1 ATOM 11465 C C . GLY H 4 106 ? 23.176 -21.340 -20.526 1.00 26.61 ? 121 GLY H C 1 ATOM 11466 O O . GLY H 4 106 ? 22.735 -21.504 -21.668 1.00 26.19 ? 121 GLY H O 1 ATOM 11467 N N . THR H 4 107 ? 23.653 -20.170 -20.079 1.00 23.12 ? 122 THR H N 1 ATOM 11468 C CA . THR H 4 107 ? 23.794 -18.979 -20.901 1.00 22.98 ? 122 THR H CA 1 ATOM 11469 C C . THR H 4 107 ? 25.259 -18.656 -20.997 1.00 26.11 ? 122 THR H C 1 ATOM 11470 O O . THR H 4 107 ? 25.903 -18.438 -19.971 1.00 25.10 ? 122 THR H O 1 ATOM 11471 C CB . THR H 4 107 ? 22.993 -17.789 -20.341 1.00 28.93 ? 122 THR H CB 1 ATOM 11472 O OG1 . THR H 4 107 ? 21.603 -18.085 -20.424 1.00 28.23 ? 122 THR H OG1 1 ATOM 11473 C CG2 . THR H 4 107 ? 23.271 -16.492 -21.103 1.00 26.73 ? 122 THR H CG2 1 ATOM 11474 N N . ARG H 4 108 ? 25.788 -18.613 -22.227 1.00 22.63 ? 123 ARG H N 1 ATOM 11475 C CA . ARG H 4 108 ? 27.172 -18.244 -22.409 1.00 21.57 ? 123 ARG H CA 1 ATOM 11476 C C . ARG H 4 108 ? 27.252 -16.741 -22.631 1.00 25.40 ? 123 ARG H C 1 ATOM 11477 O O . ARG H 4 108 ? 26.673 -16.207 -23.585 1.00 26.53 ? 123 ARG H O 1 ATOM 11478 C CB . ARG H 4 108 ? 27.844 -19.027 -23.540 1.00 21.27 ? 123 ARG H CB 1 ATOM 11479 C CG . ARG H 4 108 ? 29.360 -18.918 -23.451 1.00 29.48 ? 123 ARG H CG 1 ATOM 11480 C CD . ARG H 4 108 ? 30.049 -19.808 -24.438 1.00 39.49 ? 123 ARG H CD 1 ATOM 11481 N NE . ARG H 4 108 ? 31.432 -19.383 -24.616 1.00 48.41 ? 123 ARG H NE 1 ATOM 11482 C CZ . ARG H 4 108 ? 32.079 -19.403 -25.775 1.00 59.48 ? 123 ARG H CZ 1 ATOM 11483 N NH1 . ARG H 4 108 ? 31.477 -19.846 -26.873 1.00 45.88 1 123 ARG H NH1 1 ATOM 11484 N NH2 . ARG H 4 108 ? 33.334 -18.986 -25.845 1.00 44.44 ? 123 ARG H NH2 1 ATOM 11485 N N . LEU H 4 109 ? 27.952 -16.061 -21.718 1.00 20.68 ? 124 LEU H N 1 ATOM 11486 C CA . LEU H 4 109 ? 28.150 -14.627 -21.768 1.00 20.34 ? 124 LEU H CA 1 ATOM 11487 C C . LEU H 4 109 ? 29.592 -14.295 -22.110 1.00 24.52 ? 124 LEU H C 1 ATOM 11488 O O . LEU H 4 109 ? 30.515 -14.801 -21.464 1.00 23.69 ? 124 LEU H O 1 ATOM 11489 C CB . LEU H 4 109 ? 27.760 -13.978 -20.424 1.00 20.25 ? 124 LEU H CB 1 ATOM 11490 C CG . LEU H 4 109 ? 27.973 -12.457 -20.299 1.00 25.58 ? 124 LEU H CG 1 ATOM 11491 C CD1 . LEU H 4 109 ? 26.990 -11.673 -21.176 1.00 26.15 ? 124 LEU H CD1 1 ATOM 11492 C CD2 . LEU H 4 109 ? 27.875 -12.012 -18.852 1.00 28.55 ? 124 LEU H CD2 1 ATOM 11493 N N . THR H 4 110 ? 29.777 -13.423 -23.113 1.00 21.89 ? 125 THR H N 1 ATOM 11494 C CA . THR H 4 110 ? 31.081 -12.888 -23.480 1.00 21.45 ? 125 THR H CA 1 ATOM 11495 C C . THR H 4 110 ? 30.983 -11.381 -23.383 1.00 24.93 ? 125 THR H C 1 ATOM 11496 O O . THR H 4 110 ? 30.138 -10.763 -24.039 1.00 24.24 ? 125 THR H O 1 ATOM 11497 C CB . THR H 4 110 ? 31.566 -13.401 -24.840 1.00 29.47 ? 125 THR H CB 1 ATOM 11498 O OG1 . THR H 4 110 ? 31.966 -14.760 -24.670 1.00 32.33 ? 125 THR H OG1 1 ATOM 11499 C CG2 . THR H 4 110 ? 32.754 -12.604 -25.382 1.00 28.91 ? 125 THR H CG2 1 ATOM 11500 N N . VAL H 4 111 ? 31.833 -10.805 -22.522 1.00 22.29 ? 126 VAL H N 1 ATOM 11501 C CA . VAL H 4 111 ? 31.919 -9.369 -22.289 1.00 23.39 ? 126 VAL H CA 1 ATOM 11502 C C . VAL H 4 111 ? 33.188 -8.888 -22.970 1.00 29.05 ? 126 VAL H C 1 ATOM 11503 O O . VAL H 4 111 ? 34.284 -9.354 -22.648 1.00 27.72 ? 126 VAL H O 1 ATOM 11504 C CB . VAL H 4 111 ? 31.870 -8.977 -20.783 1.00 27.28 ? 126 VAL H CB 1 ATOM 11505 C CG1 . VAL H 4 111 ? 31.758 -7.468 -20.614 1.00 27.97 ? 126 VAL H CG1 1 ATOM 11506 C CG2 . VAL H 4 111 ? 30.728 -9.683 -20.055 1.00 26.62 ? 126 VAL H CG2 1 ATOM 11507 N N . LEU H 4 112 ? 33.025 -7.976 -23.927 1.00 27.96 ? 127 LEU H N 1 ATOM 11508 C CA . LEU H 4 112 ? 34.116 -7.400 -24.699 1.00 29.38 ? 127 LEU H CA 1 ATOM 11509 C C . LEU H 4 112 ? 34.271 -5.912 -24.391 1.00 37.49 ? 127 LEU H C 1 ATOM 11510 O O . LEU H 4 112 ? 33.327 -5.289 -23.927 1.00 37.14 ? 127 LEU H O 1 ATOM 11511 C CB . LEU H 4 112 ? 33.861 -7.618 -26.200 1.00 29.45 ? 127 LEU H CB 1 ATOM 11512 C CG . LEU H 4 112 ? 33.705 -9.077 -26.659 1.00 33.33 ? 127 LEU H CG 1 ATOM 11513 C CD1 . LEU H 4 112 ? 33.003 -9.151 -27.994 1.00 33.76 ? 127 LEU H CD1 1 ATOM 11514 C CD2 . LEU H 4 112 ? 35.059 -9.799 -26.713 1.00 35.03 ? 127 LEU H CD2 1 ATOM 11515 N N . GLU H 4 113 ? 35.461 -5.347 -24.634 1.00 38.16 ? 128 GLU H N 1 ATOM 11516 C CA . GLU H 4 113 ? 35.721 -3.926 -24.394 1.00 40.90 ? 128 GLU H CA 1 ATOM 11517 C C . GLU H 4 113 ? 34.826 -3.061 -25.290 1.00 48.97 ? 128 GLU H C 1 ATOM 11518 O O . GLU H 4 113 ? 34.139 -2.156 -24.809 1.00 49.99 ? 128 GLU H O 1 ATOM 11519 C CB . GLU H 4 113 ? 37.195 -3.611 -24.631 1.00 42.89 ? 128 GLU H CB 1 ATOM 11520 C CG . GLU H 4 113 ? 37.803 -2.858 -23.470 1.00 56.55 ? 128 GLU H CG 1 ATOM 11521 C CD . GLU H 4 113 ? 38.325 -3.722 -22.341 1.00 78.10 ? 128 GLU H CD 1 ATOM 11522 O OE1 . GLU H 4 113 ? 39.246 -4.534 -22.593 1.00 77.05 ? 128 GLU H OE1 1 ATOM 11523 O OE2 . GLU H 4 113 ? 37.847 -3.553 -21.196 1.00 68.05 -1 128 GLU H OE2 1 ATOM 11524 N N . ASP H 4 114 ? 34.813 -3.398 -26.586 1.00 46.94 ? 129 ASP H N 1 ATOM 11525 C CA . ASP H 4 114 ? 34.011 -2.793 -27.647 1.00 48.03 ? 129 ASP H CA 1 ATOM 11526 C C . ASP H 4 114 ? 33.525 -3.910 -28.569 1.00 49.91 ? 129 ASP H C 1 ATOM 11527 O O . ASP H 4 114 ? 34.175 -4.958 -28.662 1.00 48.74 ? 129 ASP H O 1 ATOM 11528 C CB . ASP H 4 114 ? 34.817 -1.729 -28.422 1.00 51.74 ? 129 ASP H CB 1 ATOM 11529 C CG . ASP H 4 114 ? 36.105 -2.244 -29.035 1.00 66.47 ? 129 ASP H CG 1 ATOM 11530 O OD1 . ASP H 4 114 ? 36.054 -2.776 -30.166 1.00 67.25 ? 129 ASP H OD1 1 ATOM 11531 O OD2 . ASP H 4 114 ? 37.166 -2.115 -28.383 1.00 74.54 -1 129 ASP H OD2 1 ATOM 11532 N N . LEU H 4 115 ? 32.405 -3.687 -29.254 1.00 45.70 ? 130 LEU H N 1 ATOM 11533 C CA . LEU H 4 115 ? 31.829 -4.691 -30.146 1.00 44.55 ? 130 LEU H CA 1 ATOM 11534 C C . LEU H 4 115 ? 32.300 -4.528 -31.608 1.00 48.62 ? 130 LEU H C 1 ATOM 11535 O O . LEU H 4 115 ? 31.843 -5.275 -32.475 1.00 48.90 ? 130 LEU H O 1 ATOM 11536 C CB . LEU H 4 115 ? 30.297 -4.622 -30.061 1.00 44.91 ? 130 LEU H CB 1 ATOM 11537 C CG . LEU H 4 115 ? 29.704 -4.743 -28.652 1.00 49.03 ? 130 LEU H CG 1 ATOM 11538 C CD1 . LEU H 4 115 ? 28.330 -4.137 -28.592 1.00 50.14 ? 130 LEU H CD1 1 ATOM 11539 C CD2 . LEU H 4 115 ? 29.715 -6.188 -28.148 1.00 49.30 ? 130 LEU H CD2 1 ATOM 11540 N N . LYS H 4 116 ? 33.243 -3.600 -31.870 1.00 44.51 ? 131 LYS H N 1 ATOM 11541 C CA . LYS H 4 116 ? 33.767 -3.310 -33.209 1.00 44.28 ? 131 LYS H CA 1 ATOM 11542 C C . LYS H 4 116 ? 34.509 -4.505 -33.857 1.00 45.83 ? 131 LYS H C 1 ATOM 11543 O O . LYS H 4 116 ? 34.580 -4.575 -35.088 1.00 45.57 ? 131 LYS H O 1 ATOM 11544 C CB . LYS H 4 116 ? 34.696 -2.087 -33.158 1.00 47.81 ? 131 LYS H CB 1 ATOM 11545 N N . ASN H 4 117 ? 35.049 -5.429 -33.037 1.00 40.01 ? 132 ASN H N 1 ATOM 11546 C CA . ASN H 4 117 ? 35.801 -6.600 -33.496 1.00 38.30 ? 132 ASN H CA 1 ATOM 11547 C C . ASN H 4 117 ? 34.924 -7.863 -33.575 1.00 39.04 ? 132 ASN H C 1 ATOM 11548 O O . ASN H 4 117 ? 35.452 -8.976 -33.611 1.00 38.10 ? 132 ASN H O 1 ATOM 11549 C CB . ASN H 4 117 ? 37.011 -6.849 -32.574 1.00 41.17 ? 132 ASN H CB 1 ATOM 11550 C CG . ASN H 4 117 ? 38.112 -5.807 -32.640 1.00 75.43 ? 132 ASN H CG 1 ATOM 11551 O OD1 . ASN H 4 117 ? 37.967 -4.721 -33.221 1.00 72.07 ? 132 ASN H OD1 1 ATOM 11552 N ND2 . ASN H 4 117 ? 39.245 -6.117 -32.021 1.00 69.38 ? 132 ASN H ND2 1 ATOM 11553 N N . VAL H 4 118 ? 33.597 -7.697 -33.625 1.00 33.53 ? 133 VAL H N 1 ATOM 11554 C CA . VAL H 4 118 ? 32.680 -8.838 -33.723 1.00 31.46 ? 133 VAL H CA 1 ATOM 11555 C C . VAL H 4 118 ? 32.427 -9.084 -35.216 1.00 33.36 ? 133 VAL H C 1 ATOM 11556 O O . VAL H 4 118 ? 32.050 -8.160 -35.929 1.00 33.55 ? 133 VAL H O 1 ATOM 11557 C CB . VAL H 4 118 ? 31.378 -8.642 -32.889 1.00 34.80 ? 133 VAL H CB 1 ATOM 11558 C CG1 . VAL H 4 118 ? 30.388 -9.790 -33.100 1.00 33.92 ? 133 VAL H CG1 1 ATOM 11559 C CG2 . VAL H 4 118 ? 31.701 -8.491 -31.402 1.00 34.09 ? 133 VAL H CG2 1 ATOM 11560 N N . PHE H 4 119 ? 32.704 -10.310 -35.691 1.00 28.01 ? 134 PHE H N 1 ATOM 11561 C CA . PHE H 4 119 ? 32.569 -10.691 -37.101 1.00 27.56 ? 134 PHE H CA 1 ATOM 11562 C C . PHE H 4 119 ? 31.919 -12.067 -37.269 1.00 30.95 ? 134 PHE H C 1 ATOM 11563 O O . PHE H 4 119 ? 32.285 -12.991 -36.540 1.00 29.10 ? 134 PHE H O 1 ATOM 11564 C CB . PHE H 4 119 ? 33.945 -10.710 -37.792 1.00 28.67 ? 134 PHE H CB 1 ATOM 11565 C CG . PHE H 4 119 ? 34.635 -9.377 -37.964 1.00 30.42 ? 134 PHE H CG 1 ATOM 11566 C CD1 . PHE H 4 119 ? 35.544 -8.919 -37.016 1.00 33.37 ? 134 PHE H CD1 1 ATOM 11567 C CD2 . PHE H 4 119 ? 34.438 -8.616 -39.110 1.00 33.29 ? 134 PHE H CD2 1 ATOM 11568 C CE1 . PHE H 4 119 ? 36.213 -7.701 -37.192 1.00 35.05 ? 134 PHE H CE1 1 ATOM 11569 C CE2 . PHE H 4 119 ? 35.113 -7.403 -39.290 1.00 36.97 ? 134 PHE H CE2 1 ATOM 11570 C CZ . PHE H 4 119 ? 35.992 -6.951 -38.329 1.00 35.03 ? 134 PHE H CZ 1 ATOM 11571 N N . PRO H 4 120 ? 31.014 -12.246 -38.269 1.00 28.86 ? 135 PRO H N 1 ATOM 11572 C CA . PRO H 4 120 ? 30.414 -13.575 -38.484 1.00 28.90 ? 135 PRO H CA 1 ATOM 11573 C C . PRO H 4 120 ? 31.368 -14.499 -39.263 1.00 34.14 ? 135 PRO H C 1 ATOM 11574 O O . PRO H 4 120 ? 32.346 -14.007 -39.841 1.00 33.31 ? 135 PRO H O 1 ATOM 11575 C CB . PRO H 4 120 ? 29.147 -13.254 -39.287 1.00 31.55 ? 135 PRO H CB 1 ATOM 11576 C CG . PRO H 4 120 ? 29.509 -12.039 -40.074 1.00 36.24 ? 135 PRO H CG 1 ATOM 11577 C CD . PRO H 4 120 ? 30.501 -11.256 -39.246 1.00 31.13 ? 135 PRO H CD 1 ATOM 11578 N N . PRO H 4 121 ? 31.122 -15.825 -39.340 1.00 31.98 ? 136 PRO H N 1 ATOM 11579 C CA . PRO H 4 121 ? 32.039 -16.676 -40.108 1.00 32.12 ? 136 PRO H CA 1 ATOM 11580 C C . PRO H 4 121 ? 31.791 -16.678 -41.613 1.00 38.26 ? 136 PRO H C 1 ATOM 11581 O O . PRO H 4 121 ? 30.714 -16.308 -42.100 1.00 38.53 ? 136 PRO H O 1 ATOM 11582 C CB . PRO H 4 121 ? 31.763 -18.076 -39.549 1.00 33.50 ? 136 PRO H CB 1 ATOM 11583 C CG . PRO H 4 121 ? 30.339 -18.037 -39.152 1.00 38.30 ? 136 PRO H CG 1 ATOM 11584 C CD . PRO H 4 121 ? 30.028 -16.619 -38.746 1.00 33.63 ? 136 PRO H CD 1 ATOM 11585 N N . GLU H 4 122 ? 32.820 -17.136 -42.334 1.00 35.70 ? 137 GLU H N 1 ATOM 11586 C CA . GLU H 4 122 ? 32.821 -17.444 -43.754 1.00 36.88 ? 137 GLU H CA 1 ATOM 11587 C C . GLU H 4 122 ? 32.790 -18.962 -43.791 1.00 40.75 ? 137 GLU H C 1 ATOM 11588 O O . GLU H 4 122 ? 33.578 -19.602 -43.090 1.00 39.85 ? 137 GLU H O 1 ATOM 11589 C CB . GLU H 4 122 ? 34.039 -16.837 -44.473 1.00 38.38 ? 137 GLU H CB 1 ATOM 11590 C CG . GLU H 4 122 ? 33.888 -15.351 -44.751 1.00 53.06 ? 137 GLU H CG 1 ATOM 11591 C CD . GLU H 4 122 ? 35.192 -14.626 -45.021 1.00 81.25 ? 137 GLU H CD 1 ATOM 11592 O OE1 . GLU H 4 122 ? 35.465 -14.323 -46.206 1.00 76.71 ? 137 GLU H OE1 1 ATOM 11593 O OE2 . GLU H 4 122 ? 35.937 -14.356 -44.049 1.00 79.50 -1 137 GLU H OE2 1 ATOM 11594 N N . VAL H 4 123 ? 31.811 -19.541 -44.485 1.00 37.99 ? 138 VAL H N 1 ATOM 11595 C CA . VAL H 4 123 ? 31.631 -20.990 -44.506 1.00 37.75 ? 138 VAL H CA 1 ATOM 11596 C C . VAL H 4 123 ? 31.891 -21.526 -45.923 1.00 41.81 ? 138 VAL H C 1 ATOM 11597 O O . VAL H 4 123 ? 31.342 -21.013 -46.900 1.00 42.49 ? 138 VAL H O 1 ATOM 11598 C CB . VAL H 4 123 ? 30.226 -21.383 -43.961 1.00 42.36 ? 138 VAL H CB 1 ATOM 11599 C CG1 . VAL H 4 123 ? 30.035 -22.896 -43.941 1.00 42.58 ? 138 VAL H CG1 1 ATOM 11600 C CG2 . VAL H 4 123 ? 29.998 -20.805 -42.562 1.00 41.19 ? 138 VAL H CG2 1 ATOM 11601 N N . ALA H 4 124 ? 32.760 -22.543 -46.015 1.00 37.16 ? 139 ALA H N 1 ATOM 11602 C CA . ALA H 4 124 ? 33.130 -23.201 -47.262 1.00 37.22 ? 139 ALA H CA 1 ATOM 11603 C C . ALA H 4 124 ? 33.128 -24.703 -47.085 1.00 41.10 ? 139 ALA H C 1 ATOM 11604 O O . ALA H 4 124 ? 33.574 -25.206 -46.055 1.00 39.69 ? 139 ALA H O 1 ATOM 11605 C CB . ALA H 4 124 ? 34.498 -22.732 -47.719 1.00 37.12 ? 139 ALA H CB 1 ATOM 11606 N N . VAL H 4 125 ? 32.602 -25.413 -48.083 1.00 39.32 ? 140 VAL H N 1 ATOM 11607 C CA . VAL H 4 125 ? 32.554 -26.871 -48.112 1.00 39.70 ? 140 VAL H CA 1 ATOM 11608 C C . VAL H 4 125 ? 33.567 -27.347 -49.153 1.00 42.02 ? 140 VAL H C 1 ATOM 11609 O O . VAL H 4 125 ? 33.648 -26.784 -50.247 1.00 42.31 ? 140 VAL H O 1 ATOM 11610 C CB . VAL H 4 125 ? 31.115 -27.398 -48.361 1.00 45.75 ? 140 VAL H CB 1 ATOM 11611 C CG1 . VAL H 4 125 ? 31.102 -28.787 -49.000 1.00 47.00 ? 140 VAL H CG1 1 ATOM 11612 C CG2 . VAL H 4 125 ? 30.330 -27.408 -47.062 1.00 45.25 ? 140 VAL H CG2 1 ATOM 11613 N N . PHE H 4 126 ? 34.358 -28.362 -48.783 1.00 36.81 ? 141 PHE H N 1 ATOM 11614 C CA . PHE H 4 126 ? 35.385 -28.949 -49.635 1.00 36.52 ? 141 PHE H CA 1 ATOM 11615 C C . PHE H 4 126 ? 34.982 -30.365 -50.007 1.00 41.95 ? 141 PHE H C 1 ATOM 11616 O O . PHE H 4 126 ? 34.656 -31.177 -49.130 1.00 40.81 ? 141 PHE H O 1 ATOM 11617 C CB . PHE H 4 126 ? 36.757 -28.894 -48.950 1.00 36.38 ? 141 PHE H CB 1 ATOM 11618 C CG . PHE H 4 126 ? 37.260 -27.480 -48.803 1.00 36.13 ? 141 PHE H CG 1 ATOM 11619 C CD1 . PHE H 4 126 ? 36.849 -26.685 -47.737 1.00 37.65 ? 141 PHE H CD1 1 ATOM 11620 C CD2 . PHE H 4 126 ? 38.115 -26.929 -49.751 1.00 37.79 ? 141 PHE H CD2 1 ATOM 11621 C CE1 . PHE H 4 126 ? 37.282 -25.368 -47.623 1.00 37.41 ? 141 PHE H CE1 1 ATOM 11622 C CE2 . PHE H 4 126 ? 38.560 -25.613 -49.628 1.00 39.61 ? 141 PHE H CE2 1 ATOM 11623 C CZ . PHE H 4 126 ? 38.147 -24.845 -48.559 1.00 36.87 ? 141 PHE H CZ 1 ATOM 11624 N N . GLU H 4 127 ? 34.947 -30.630 -51.322 1.00 40.90 ? 142 GLU H N 1 ATOM 11625 C CA . GLU H 4 127 ? 34.525 -31.912 -51.888 1.00 43.19 ? 142 GLU H CA 1 ATOM 11626 C C . GLU H 4 127 ? 35.542 -33.027 -51.564 1.00 47.92 ? 142 GLU H C 1 ATOM 11627 O O . GLU H 4 127 ? 36.735 -32.727 -51.423 1.00 46.52 ? 142 GLU H O 1 ATOM 11628 C CB . GLU H 4 127 ? 34.296 -31.792 -53.403 1.00 46.19 ? 142 GLU H CB 1 ATOM 11629 C CG . GLU H 4 127 ? 33.098 -30.927 -53.762 1.00 57.85 ? 142 GLU H CG 1 ATOM 11630 C CD . GLU H 4 127 ? 32.472 -31.166 -55.123 1.00 86.13 ? 142 GLU H CD 1 ATOM 11631 O OE1 . GLU H 4 127 ? 33.200 -31.553 -56.067 1.00 78.43 ? 142 GLU H OE1 1 ATOM 11632 O OE2 . GLU H 4 127 ? 31.247 -30.940 -55.248 1.00 89.12 -1 142 GLU H OE2 1 ATOM 11633 N N . PRO H 4 128 ? 35.088 -34.306 -51.430 1.00 45.86 ? 143 PRO H N 1 ATOM 11634 C CA . PRO H 4 128 ? 36.017 -35.392 -51.076 1.00 45.47 ? 143 PRO H CA 1 ATOM 11635 C C . PRO H 4 128 ? 37.082 -35.686 -52.122 1.00 50.48 ? 143 PRO H C 1 ATOM 11636 O O . PRO H 4 128 ? 36.822 -35.613 -53.329 1.00 51.53 ? 143 PRO H O 1 ATOM 11637 C CB . PRO H 4 128 ? 35.104 -36.615 -50.927 1.00 49.01 ? 143 PRO H CB 1 ATOM 11638 C CG . PRO H 4 128 ? 33.748 -36.076 -50.754 1.00 54.19 ? 143 PRO H CG 1 ATOM 11639 C CD . PRO H 4 128 ? 33.706 -34.813 -51.536 1.00 49.28 ? 143 PRO H CD 1 ATOM 11640 N N . SER H 4 129 ? 38.284 -36.050 -51.634 1.00 45.78 ? 144 SER H N 1 ATOM 11641 C CA . SER H 4 129 ? 39.432 -36.456 -52.437 1.00 45.23 ? 144 SER H CA 1 ATOM 11642 C C . SER H 4 129 ? 39.052 -37.654 -53.306 1.00 51.31 ? 144 SER H C 1 ATOM 11643 O O . SER H 4 129 ? 38.399 -38.581 -52.819 1.00 51.99 ? 144 SER H O 1 ATOM 11644 C CB . SER H 4 129 ? 40.602 -36.806 -51.524 1.00 46.66 ? 144 SER H CB 1 ATOM 11645 O OG . SER H 4 129 ? 41.507 -37.729 -52.106 1.00 55.23 ? 144 SER H OG 1 ATOM 11646 N N . GLU H 4 130 ? 39.435 -37.620 -54.595 1.00 48.62 ? 145 GLU H N 1 ATOM 11647 C CA . GLU H 4 130 ? 39.139 -38.709 -55.528 1.00 50.64 ? 145 GLU H CA 1 ATOM 11648 C C . GLU H 4 130 ? 39.983 -39.930 -55.177 1.00 54.31 ? 145 GLU H C 1 ATOM 11649 O O . GLU H 4 130 ? 39.522 -41.060 -55.351 1.00 55.80 ? 145 GLU H O 1 ATOM 11650 C CB . GLU H 4 130 ? 39.367 -38.272 -56.986 1.00 52.86 ? 145 GLU H CB 1 ATOM 11651 C CG . GLU H 4 130 ? 38.326 -37.289 -57.506 1.00 66.05 ? 145 GLU H CG 1 ATOM 11652 C CD . GLU H 4 130 ? 36.907 -37.812 -57.644 1.00 94.06 ? 145 GLU H CD 1 ATOM 11653 O OE1 . GLU H 4 130 ? 36.714 -38.865 -58.295 1.00 96.52 ? 145 GLU H OE1 1 ATOM 11654 O OE2 . GLU H 4 130 ? 35.981 -37.142 -57.132 1.00 88.53 -1 145 GLU H OE2 1 ATOM 11655 N N . ALA H 4 131 ? 41.200 -39.686 -54.636 1.00 48.92 ? 146 ALA H N 1 ATOM 11656 C CA . ALA H 4 131 ? 42.154 -40.703 -54.189 1.00 48.88 ? 146 ALA H CA 1 ATOM 11657 C C . ALA H 4 131 ? 41.624 -41.435 -52.956 1.00 52.71 ? 146 ALA H C 1 ATOM 11658 O O . ALA H 4 131 ? 41.839 -42.640 -52.832 1.00 54.07 ? 146 ALA H O 1 ATOM 11659 C CB . ALA H 4 131 ? 43.499 -40.061 -53.879 1.00 47.55 ? 146 ALA H CB 1 ATOM 11660 N N . GLU H 4 132 ? 40.918 -40.711 -52.063 1.00 47.54 ? 147 GLU H N 1 ATOM 11661 C CA . GLU H 4 132 ? 40.302 -41.248 -50.848 1.00 47.73 ? 147 GLU H CA 1 ATOM 11662 C C . GLU H 4 132 ? 39.243 -42.277 -51.225 1.00 55.00 ? 147 GLU H C 1 ATOM 11663 O O . GLU H 4 132 ? 39.292 -43.406 -50.736 1.00 55.72 ? 147 GLU H O 1 ATOM 11664 C CB . GLU H 4 132 ? 39.686 -40.112 -50.001 1.00 47.35 ? 147 GLU H CB 1 ATOM 11665 C CG . GLU H 4 132 ? 39.087 -40.568 -48.678 1.00 54.88 ? 147 GLU H CG 1 ATOM 11666 C CD . GLU H 4 132 ? 38.089 -39.643 -48.001 1.00 63.79 ? 147 GLU H CD 1 ATOM 11667 O OE1 . GLU H 4 132 ? 37.254 -40.162 -47.226 1.00 48.47 ? 147 GLU H OE1 1 ATOM 11668 O OE2 . GLU H 4 132 ? 38.145 -38.410 -48.223 1.00 52.03 -1 147 GLU H OE2 1 ATOM 11669 N N . ILE H 4 133 ? 38.306 -41.880 -52.114 1.00 53.08 ? 148 ILE H N 1 ATOM 11670 C CA . ILE H 4 133 ? 37.204 -42.695 -52.627 1.00 55.53 ? 148 ILE H CA 1 ATOM 11671 C C . ILE H 4 133 ? 37.768 -43.958 -53.297 1.00 60.92 ? 148 ILE H C 1 ATOM 11672 O O . ILE H 4 133 ? 37.308 -45.059 -53.000 1.00 62.24 ? 148 ILE H O 1 ATOM 11673 C CB . ILE H 4 133 ? 36.318 -41.849 -53.596 1.00 59.31 ? 148 ILE H CB 1 ATOM 11674 C CG1 . ILE H 4 133 ? 35.657 -40.660 -52.853 1.00 58.04 ? 148 ILE H CG1 1 ATOM 11675 C CG2 . ILE H 4 133 ? 35.264 -42.711 -54.316 1.00 62.89 ? 148 ILE H CG2 1 ATOM 11676 C CD1 . ILE H 4 133 ? 35.274 -39.441 -53.741 1.00 65.58 ? 148 ILE H CD1 1 ATOM 11677 N N . SER H 4 134 ? 38.804 -43.794 -54.136 1.00 57.33 ? 149 SER H N 1 ATOM 11678 C CA . SER H 4 134 ? 39.462 -44.879 -54.869 1.00 59.09 ? 149 SER H CA 1 ATOM 11679 C C . SER H 4 134 ? 40.379 -45.751 -53.974 1.00 63.42 ? 149 SER H C 1 ATOM 11680 O O . SER H 4 134 ? 41.138 -46.567 -54.506 1.00 64.84 ? 149 SER H O 1 ATOM 11681 C CB . SER H 4 134 ? 40.268 -44.306 -56.033 1.00 62.04 ? 149 SER H CB 1 ATOM 11682 O OG . SER H 4 134 ? 40.689 -45.326 -56.923 1.00 74.55 ? 149 SER H OG 1 ATOM 11683 N N . HIS H 4 135 ? 40.297 -45.607 -52.634 1.00 58.09 ? 150 HIS H N 1 ATOM 11684 C CA . HIS H 4 135 ? 41.136 -46.381 -51.719 1.00 57.52 ? 150 HIS H CA 1 ATOM 11685 C C . HIS H 4 135 ? 40.356 -46.925 -50.516 1.00 60.94 ? 150 HIS H C 1 ATOM 11686 O O . HIS H 4 135 ? 40.600 -48.061 -50.106 1.00 61.50 ? 150 HIS H O 1 ATOM 11687 C CB . HIS H 4 135 ? 42.319 -45.528 -51.238 1.00 55.88 ? 150 HIS H CB 1 ATOM 11688 C CG . HIS H 4 135 ? 43.348 -46.284 -50.461 1.00 59.34 ? 150 HIS H CG 1 ATOM 11689 N ND1 . HIS H 4 135 ? 44.168 -47.220 -51.068 1.00 62.60 ? 150 HIS H ND1 1 ATOM 11690 C CD2 . HIS H 4 135 ? 43.681 -46.193 -49.154 1.00 59.91 ? 150 HIS H CD2 1 ATOM 11691 C CE1 . HIS H 4 135 ? 44.955 -47.680 -50.110 1.00 61.57 ? 150 HIS H CE1 1 ATOM 11692 N NE2 . HIS H 4 135 ? 44.702 -47.088 -48.944 1.00 60.38 ? 150 HIS H NE2 1 ATOM 11693 N N . THR H 4 136 ? 39.440 -46.126 -49.948 1.00 56.25 ? 151 THR H N 1 ATOM 11694 C CA . THR H 4 136 ? 38.672 -46.520 -48.759 1.00 56.17 ? 151 THR H CA 1 ATOM 11695 C C . THR H 4 136 ? 37.187 -46.786 -49.043 1.00 61.98 ? 151 THR H C 1 ATOM 11696 O O . THR H 4 136 ? 36.507 -47.348 -48.179 1.00 62.78 ? 151 THR H O 1 ATOM 11697 C CB . THR H 4 136 ? 38.784 -45.439 -47.673 1.00 58.12 ? 151 THR H CB 1 ATOM 11698 O OG1 . THR H 4 136 ? 38.295 -44.198 -48.184 1.00 54.07 ? 151 THR H OG1 1 ATOM 11699 C CG2 . THR H 4 136 ? 40.201 -45.284 -47.140 1.00 55.36 ? 151 THR H CG2 1 ATOM 11700 N N . GLN H 4 137 ? 36.680 -46.358 -50.228 1.00 58.62 ? 152 GLN H N 1 ATOM 11701 C CA . GLN H 4 137 ? 35.267 -46.430 -50.646 1.00 59.94 ? 152 GLN H CA 1 ATOM 11702 C C . GLN H 4 137 ? 34.389 -45.580 -49.678 1.00 62.00 ? 152 GLN H C 1 ATOM 11703 O O . GLN H 4 137 ? 33.181 -45.793 -49.542 1.00 63.08 ? 152 GLN H O 1 ATOM 11704 C CB . GLN H 4 137 ? 34.754 -47.883 -50.796 1.00 64.18 ? 152 GLN H CB 1 ATOM 11705 C CG . GLN H 4 137 ? 35.321 -48.628 -52.015 1.00 73.18 ? 152 GLN H CG 1 ATOM 11706 C CD . GLN H 4 137 ? 34.990 -47.970 -53.340 1.00 87.90 ? 152 GLN H CD 1 ATOM 11707 O OE1 . GLN H 4 137 ? 33.821 -47.811 -53.717 1.00 81.43 ? 152 GLN H OE1 1 ATOM 11708 N NE2 . GLN H 4 137 ? 36.019 -47.585 -54.084 1.00 79.16 ? 152 GLN H NE2 1 ATOM 11709 N N . LYS H 4 138 ? 35.040 -44.595 -49.034 1.00 55.35 ? 153 LYS H N 1 ATOM 11710 C CA . LYS H 4 138 ? 34.483 -43.603 -48.122 1.00 53.23 ? 153 LYS H CA 1 ATOM 11711 C C . LYS H 4 138 ? 34.822 -42.224 -48.670 1.00 54.94 ? 153 LYS H C 1 ATOM 11712 O O . LYS H 4 138 ? 35.865 -42.058 -49.312 1.00 54.25 ? 153 LYS H O 1 ATOM 11713 C CB . LYS H 4 138 ? 35.031 -43.787 -46.696 1.00 54.25 ? 153 LYS H CB 1 ATOM 11714 C CG . LYS H 4 138 ? 34.401 -44.945 -45.940 1.00 70.43 ? 153 LYS H CG 1 ATOM 11715 C CD . LYS H 4 138 ? 35.422 -45.702 -45.114 1.00 79.87 ? 153 LYS H CD 1 ATOM 11716 C CE . LYS H 4 138 ? 34.859 -47.008 -44.613 1.00 91.42 ? 153 LYS H CE 1 ATOM 11717 N NZ . LYS H 4 138 ? 35.905 -47.857 -43.989 1.00 100.56 1 153 LYS H NZ 1 ATOM 11718 N N . ALA H 4 139 ? 33.938 -41.248 -48.447 1.00 49.77 ? 154 ALA H N 1 ATOM 11719 C CA . ALA H 4 139 ? 34.101 -39.885 -48.934 1.00 47.74 ? 154 ALA H CA 1 ATOM 11720 C C . ALA H 4 139 ? 33.952 -38.871 -47.788 1.00 49.40 ? 154 ALA H C 1 ATOM 11721 O O . ALA H 4 139 ? 32.863 -38.730 -47.224 1.00 49.40 ? 154 ALA H O 1 ATOM 11722 C CB . ALA H 4 139 ? 33.084 -39.614 -50.034 1.00 50.01 ? 154 ALA H CB 1 ATOM 11723 N N . THR H 4 140 ? 35.059 -38.185 -47.437 1.00 43.74 ? 155 THR H N 1 ATOM 11724 C CA . THR H 4 140 ? 35.090 -37.186 -46.365 1.00 41.60 ? 155 THR H CA 1 ATOM 11725 C C . THR H 4 140 ? 34.886 -35.766 -46.913 1.00 45.33 ? 155 THR H C 1 ATOM 11726 O O . THR H 4 140 ? 35.727 -35.245 -47.649 1.00 45.35 ? 155 THR H O 1 ATOM 11727 C CB . THR H 4 140 ? 36.406 -37.267 -45.556 1.00 44.20 ? 155 THR H CB 1 ATOM 11728 O OG1 . THR H 4 140 ? 36.605 -38.595 -45.086 1.00 45.24 ? 155 THR H OG1 1 ATOM 11729 C CG2 . THR H 4 140 ? 36.433 -36.313 -44.377 1.00 39.85 ? 155 THR H CG2 1 ATOM 11730 N N . LEU H 4 141 ? 33.782 -35.141 -46.504 1.00 41.14 ? 156 LEU H N 1 ATOM 11731 C CA . LEU H 4 141 ? 33.432 -33.762 -46.811 1.00 40.41 ? 156 LEU H CA 1 ATOM 11732 C C . LEU H 4 141 ? 33.930 -32.903 -45.674 1.00 42.37 ? 156 LEU H C 1 ATOM 11733 O O . LEU H 4 141 ? 33.624 -33.191 -44.519 1.00 41.02 ? 156 LEU H O 1 ATOM 11734 C CB . LEU H 4 141 ? 31.913 -33.615 -46.982 1.00 41.98 ? 156 LEU H CB 1 ATOM 11735 C CG . LEU H 4 141 ? 31.358 -33.926 -48.360 1.00 48.78 ? 156 LEU H CG 1 ATOM 11736 C CD1 . LEU H 4 141 ? 30.835 -35.357 -48.433 1.00 51.27 ? 156 LEU H CD1 1 ATOM 11737 C CD2 . LEU H 4 141 ? 30.246 -32.964 -48.705 1.00 51.55 ? 156 LEU H CD2 1 ATOM 11738 N N . VAL H 4 142 ? 34.726 -31.877 -45.978 1.00 38.43 ? 157 VAL H N 1 ATOM 11739 C CA . VAL H 4 142 ? 35.274 -31.004 -44.939 1.00 36.26 ? 157 VAL H CA 1 ATOM 11740 C C . VAL H 4 142 ? 34.642 -29.614 -45.049 1.00 42.08 ? 157 VAL H C 1 ATOM 11741 O O . VAL H 4 142 ? 34.631 -29.012 -46.120 1.00 42.39 ? 157 VAL H O 1 ATOM 11742 C CB . VAL H 4 142 ? 36.831 -30.955 -44.972 1.00 38.03 ? 157 VAL H CB 1 ATOM 11743 C CG1 . VAL H 4 142 ? 37.389 -29.897 -44.022 1.00 36.04 ? 157 VAL H CG1 1 ATOM 11744 C CG2 . VAL H 4 142 ? 37.428 -32.324 -44.654 1.00 38.08 ? 157 VAL H CG2 1 ATOM 11745 N N . CYS H 4 143 ? 34.097 -29.127 -43.936 1.00 39.77 ? 158 CYS H N 1 ATOM 11746 C CA . CYS H 4 143 ? 33.534 -27.792 -43.837 1.00 40.05 ? 158 CYS H CA 1 ATOM 11747 C C . CYS H 4 143 ? 34.516 -26.926 -43.077 1.00 39.20 ? 158 CYS H C 1 ATOM 11748 O O . CYS H 4 143 ? 35.084 -27.381 -42.086 1.00 37.94 ? 158 CYS H O 1 ATOM 11749 C CB . CYS H 4 143 ? 32.175 -27.819 -43.158 1.00 42.40 ? 158 CYS H CB 1 ATOM 11750 S SG . CYS H 4 143 ? 31.487 -26.180 -42.832 1.00 46.73 ? 158 CYS H SG 1 ATOM 11751 N N . LEU H 4 144 ? 34.708 -25.682 -43.528 1.00 33.31 ? 159 LEU H N 1 ATOM 11752 C CA . LEU H 4 144 ? 35.649 -24.765 -42.904 1.00 30.79 ? 159 LEU H CA 1 ATOM 11753 C C . LEU H 4 144 ? 35.008 -23.390 -42.657 1.00 33.21 ? 159 LEU H C 1 ATOM 11754 O O . LEU H 4 144 ? 34.743 -22.646 -43.604 1.00 34.19 ? 159 LEU H O 1 ATOM 11755 C CB . LEU H 4 144 ? 36.909 -24.646 -43.788 1.00 30.27 ? 159 LEU H CB 1 ATOM 11756 C CG . LEU H 4 144 ? 38.185 -24.124 -43.132 1.00 33.95 ? 159 LEU H CG 1 ATOM 11757 C CD1 . LEU H 4 144 ? 38.751 -25.131 -42.148 1.00 33.96 ? 159 LEU H CD1 1 ATOM 11758 C CD2 . LEU H 4 144 ? 39.247 -23.802 -44.181 1.00 35.79 ? 159 LEU H CD2 1 ATOM 11759 N N . ALA H 4 145 ? 34.745 -23.074 -41.371 1.00 27.32 ? 160 ALA H N 1 ATOM 11760 C CA . ALA H 4 145 ? 34.197 -21.791 -40.917 1.00 25.94 ? 160 ALA H CA 1 ATOM 11761 C C . ALA H 4 145 ? 35.372 -20.926 -40.425 1.00 27.58 ? 160 ALA H C 1 ATOM 11762 O O . ALA H 4 145 ? 36.156 -21.371 -39.584 1.00 25.87 ? 160 ALA H O 1 ATOM 11763 C CB . ALA H 4 145 ? 33.155 -22.003 -39.828 1.00 26.35 ? 160 ALA H CB 1 ATOM 11764 N N . THR H 4 146 ? 35.554 -19.736 -41.031 1.00 23.80 ? 161 THR H N 1 ATOM 11765 C CA . THR H 4 146 ? 36.700 -18.861 -40.748 1.00 22.51 ? 161 THR H CA 1 ATOM 11766 C C . THR H 4 146 ? 36.308 -17.393 -40.533 1.00 26.26 ? 161 THR H C 1 ATOM 11767 O O . THR H 4 146 ? 35.222 -16.968 -40.929 1.00 26.48 ? 161 THR H O 1 ATOM 11768 C CB . THR H 4 146 ? 37.707 -18.938 -41.925 1.00 25.54 ? 161 THR H CB 1 ATOM 11769 O OG1 . THR H 4 146 ? 37.029 -18.631 -43.144 1.00 28.01 ? 161 THR H OG1 1 ATOM 11770 C CG2 . THR H 4 146 ? 38.396 -20.295 -42.043 1.00 22.48 ? 161 THR H CG2 1 ATOM 11771 N N . GLY H 4 147 ? 37.226 -16.641 -39.929 1.00 22.42 ? 162 GLY H N 1 ATOM 11772 C CA . GLY H 4 147 ? 37.112 -15.205 -39.689 1.00 22.49 ? 162 GLY H CA 1 ATOM 11773 C C . GLY H 4 147 ? 36.063 -14.735 -38.702 1.00 26.44 ? 162 GLY H C 1 ATOM 11774 O O . GLY H 4 147 ? 35.750 -13.543 -38.676 1.00 26.27 ? 162 GLY H O 1 ATOM 11775 N N . PHE H 4 148 ? 35.531 -15.632 -37.862 1.00 22.44 ? 163 PHE H N 1 ATOM 11776 C CA . PHE H 4 148 ? 34.512 -15.222 -36.900 1.00 22.55 ? 163 PHE H CA 1 ATOM 11777 C C . PHE H 4 148 ? 35.091 -14.853 -35.518 1.00 25.81 ? 163 PHE H C 1 ATOM 11778 O O . PHE H 4 148 ? 36.088 -15.423 -35.080 1.00 23.90 ? 163 PHE H O 1 ATOM 11779 C CB . PHE H 4 148 ? 33.434 -16.306 -36.736 1.00 24.42 ? 163 PHE H CB 1 ATOM 11780 C CG . PHE H 4 148 ? 33.917 -17.648 -36.243 1.00 25.19 ? 163 PHE H CG 1 ATOM 11781 C CD1 . PHE H 4 148 ? 34.370 -18.614 -37.135 1.00 28.09 ? 163 PHE H CD1 1 ATOM 11782 C CD2 . PHE H 4 148 ? 33.900 -17.956 -34.885 1.00 26.67 ? 163 PHE H CD2 1 ATOM 11783 C CE1 . PHE H 4 148 ? 34.806 -19.860 -36.680 1.00 28.69 ? 163 PHE H CE1 1 ATOM 11784 C CE2 . PHE H 4 148 ? 34.340 -19.202 -34.430 1.00 29.04 ? 163 PHE H CE2 1 ATOM 11785 C CZ . PHE H 4 148 ? 34.793 -20.146 -35.330 1.00 27.17 ? 163 PHE H CZ 1 ATOM 11786 N N . PHE H 4 149 ? 34.420 -13.917 -34.826 1.00 22.69 ? 164 PHE H N 1 ATOM 11787 C CA . PHE H 4 149 ? 34.755 -13.499 -33.467 1.00 22.00 ? 164 PHE H CA 1 ATOM 11788 C C . PHE H 4 149 ? 33.507 -12.944 -32.772 1.00 26.24 ? 164 PHE H C 1 ATOM 11789 O O . PHE H 4 149 ? 32.866 -12.070 -33.352 1.00 25.75 ? 164 PHE H O 1 ATOM 11790 C CB . PHE H 4 149 ? 35.915 -12.474 -33.423 1.00 23.94 ? 164 PHE H CB 1 ATOM 11791 C CG . PHE H 4 149 ? 36.335 -12.133 -32.008 1.00 24.93 ? 164 PHE H CG 1 ATOM 11792 C CD1 . PHE H 4 149 ? 37.193 -12.964 -31.302 1.00 27.37 ? 164 PHE H CD1 1 ATOM 11793 C CD2 . PHE H 4 149 ? 35.813 -11.018 -31.358 1.00 26.98 ? 164 PHE H CD2 1 ATOM 11794 C CE1 . PHE H 4 149 ? 37.527 -12.685 -29.972 1.00 28.11 ? 164 PHE H CE1 1 ATOM 11795 C CE2 . PHE H 4 149 ? 36.160 -10.732 -30.040 1.00 29.47 ? 164 PHE H CE2 1 ATOM 11796 C CZ . PHE H 4 149 ? 37.013 -11.567 -29.354 1.00 27.16 ? 164 PHE H CZ 1 ATOM 11797 N N . PRO H 4 150 ? 33.140 -13.386 -31.536 1.00 24.18 ? 165 PRO H N 1 ATOM 11798 C CA . PRO H 4 150 ? 33.778 -14.405 -30.665 1.00 24.02 ? 165 PRO H CA 1 ATOM 11799 C C . PRO H 4 150 ? 33.517 -15.845 -31.144 1.00 29.75 ? 165 PRO H C 1 ATOM 11800 O O . PRO H 4 150 ? 33.034 -16.038 -32.263 1.00 29.96 ? 165 PRO H O 1 ATOM 11801 C CB . PRO H 4 150 ? 33.147 -14.132 -29.280 1.00 25.37 ? 165 PRO H CB 1 ATOM 11802 C CG . PRO H 4 150 ? 32.373 -12.833 -29.415 1.00 29.92 ? 165 PRO H CG 1 ATOM 11803 C CD . PRO H 4 150 ? 31.981 -12.780 -30.853 1.00 25.85 ? 165 PRO H CD 1 ATOM 11804 N N . ASP H 4 151 ? 33.843 -16.860 -30.319 1.00 27.16 ? 166 ASP H N 1 ATOM 11805 C CA . ASP H 4 151 ? 33.691 -18.262 -30.724 1.00 28.04 ? 166 ASP H CA 1 ATOM 11806 C C . ASP H 4 151 ? 32.319 -18.881 -30.338 1.00 33.72 ? 166 ASP H C 1 ATOM 11807 O O . ASP H 4 151 ? 32.242 -20.080 -30.032 1.00 33.68 ? 166 ASP H O 1 ATOM 11808 C CB . ASP H 4 151 ? 34.855 -19.110 -30.178 1.00 29.63 ? 166 ASP H CB 1 ATOM 11809 C CG . ASP H 4 151 ? 34.994 -19.144 -28.670 1.00 41.38 ? 166 ASP H CG 1 ATOM 11810 O OD1 . ASP H 4 151 ? 34.968 -18.063 -28.047 1.00 41.09 ? 166 ASP H OD1 1 ATOM 11811 O OD2 . ASP H 4 151 ? 35.201 -20.248 -28.120 1.00 51.56 -1 166 ASP H OD2 1 ATOM 11812 N N . HIS H 4 152 ? 31.235 -18.085 -30.432 1.00 30.82 ? 167 HIS H N 1 ATOM 11813 C CA . HIS H 4 152 ? 29.862 -18.540 -30.150 1.00 30.76 ? 167 HIS H CA 1 ATOM 11814 C C . HIS H 4 152 ? 29.250 -19.106 -31.439 1.00 34.95 ? 167 HIS H C 1 ATOM 11815 O O . HIS H 4 152 ? 28.434 -18.447 -32.094 1.00 35.31 ? 167 HIS H O 1 ATOM 11816 C CB . HIS H 4 152 ? 29.004 -17.394 -29.584 1.00 31.56 ? 167 HIS H CB 1 ATOM 11817 C CG . HIS H 4 152 ? 29.401 -16.919 -28.225 1.00 34.28 ? 167 HIS H CG 1 ATOM 11818 N ND1 . HIS H 4 152 ? 28.465 -16.757 -27.228 1.00 35.88 ? 167 HIS H ND1 1 ATOM 11819 C CD2 . HIS H 4 152 ? 30.612 -16.546 -27.752 1.00 35.55 ? 167 HIS H CD2 1 ATOM 11820 C CE1 . HIS H 4 152 ? 29.133 -16.317 -26.176 1.00 34.99 ? 167 HIS H CE1 1 ATOM 11821 N NE2 . HIS H 4 152 ? 30.430 -16.186 -26.444 1.00 35.08 ? 167 HIS H NE2 1 ATOM 11822 N N . VAL H 4 153 ? 29.679 -20.323 -31.814 1.00 30.84 ? 168 VAL H N 1 ATOM 11823 C CA . VAL H 4 153 ? 29.253 -20.986 -33.050 1.00 31.27 ? 168 VAL H CA 1 ATOM 11824 C C . VAL H 4 153 ? 28.749 -22.415 -32.805 1.00 36.04 ? 168 VAL H C 1 ATOM 11825 O O . VAL H 4 153 ? 29.291 -23.142 -31.969 1.00 34.95 ? 168 VAL H O 1 ATOM 11826 C CB . VAL H 4 153 ? 30.375 -20.991 -34.135 1.00 34.85 ? 168 VAL H CB 1 ATOM 11827 C CG1 . VAL H 4 153 ? 30.570 -19.609 -34.747 1.00 34.76 ? 168 VAL H CG1 1 ATOM 11828 C CG2 . VAL H 4 153 ? 31.697 -21.544 -33.595 1.00 33.85 ? 168 VAL H CG2 1 ATOM 11829 N N . GLU H 4 154 ? 27.728 -22.818 -33.574 1.00 34.57 ? 169 GLU H N 1 ATOM 11830 C CA . GLU H 4 154 ? 27.168 -24.169 -33.549 1.00 35.03 ? 169 GLU H CA 1 ATOM 11831 C C . GLU H 4 154 ? 27.189 -24.698 -34.967 1.00 38.24 ? 169 GLU H C 1 ATOM 11832 O O . GLU H 4 154 ? 26.552 -24.115 -35.845 1.00 38.49 ? 169 GLU H O 1 ATOM 11833 C CB . GLU H 4 154 ? 25.751 -24.189 -32.948 1.00 37.15 ? 169 GLU H CB 1 ATOM 11834 C CG . GLU H 4 154 ? 25.717 -23.997 -31.437 1.00 48.02 ? 169 GLU H CG 1 ATOM 11835 C CD . GLU H 4 154 ? 24.359 -23.735 -30.807 1.00 71.07 ? 169 GLU H CD 1 ATOM 11836 O OE1 . GLU H 4 154 ? 23.342 -23.716 -31.540 1.00 62.66 ? 169 GLU H OE1 1 ATOM 11837 O OE2 . GLU H 4 154 ? 24.318 -23.531 -29.571 1.00 66.77 -1 169 GLU H OE2 1 ATOM 11838 N N . LEU H 4 155 ? 27.983 -25.750 -35.211 1.00 34.24 ? 170 LEU H N 1 ATOM 11839 C CA . LEU H 4 155 ? 28.120 -26.334 -36.540 1.00 34.98 ? 170 LEU H CA 1 ATOM 11840 C C . LEU H 4 155 ? 27.339 -27.639 -36.658 1.00 40.36 ? 170 LEU H C 1 ATOM 11841 O O . LEU H 4 155 ? 27.530 -28.561 -35.857 1.00 39.58 ? 170 LEU H O 1 ATOM 11842 C CB . LEU H 4 155 ? 29.600 -26.566 -36.887 1.00 34.48 ? 170 LEU H CB 1 ATOM 11843 C CG . LEU H 4 155 ? 29.962 -26.582 -38.374 1.00 40.12 ? 170 LEU H CG 1 ATOM 11844 C CD1 . LEU H 4 155 ? 31.421 -26.209 -38.585 1.00 39.46 ? 170 LEU H CD1 1 ATOM 11845 C CD2 . LEU H 4 155 ? 29.658 -27.927 -39.016 1.00 43.75 ? 170 LEU H CD2 1 ATOM 11846 N N . SER H 4 156 ? 26.496 -27.719 -37.705 1.00 38.26 ? 171 SER H N 1 ATOM 11847 C CA . SER H 4 156 ? 25.674 -28.883 -38.038 1.00 39.51 ? 171 SER H CA 1 ATOM 11848 C C . SER H 4 156 ? 25.729 -29.195 -39.542 1.00 44.89 ? 171 SER H C 1 ATOM 11849 O O . SER H 4 156 ? 25.953 -28.297 -40.357 1.00 43.82 ? 171 SER H O 1 ATOM 11850 C CB . SER H 4 156 ? 24.229 -28.656 -37.605 1.00 43.11 ? 171 SER H CB 1 ATOM 11851 O OG . SER H 4 156 ? 23.650 -27.537 -38.259 1.00 51.69 ? 171 SER H OG 1 ATOM 11852 N N . TRP H 4 157 ? 25.521 -30.475 -39.895 1.00 43.80 ? 172 TRP H N 1 ATOM 11853 C CA . TRP H 4 157 ? 25.479 -30.957 -41.282 1.00 45.81 ? 172 TRP H CA 1 ATOM 11854 C C . TRP H 4 157 ? 24.045 -31.322 -41.664 1.00 53.48 ? 172 TRP H C 1 ATOM 11855 O O . TRP H 4 157 ? 23.351 -31.997 -40.895 1.00 53.43 ? 172 TRP H O 1 ATOM 11856 C CB . TRP H 4 157 ? 26.402 -32.170 -41.482 1.00 44.68 ? 172 TRP H CB 1 ATOM 11857 C CG . TRP H 4 157 ? 27.864 -31.848 -41.563 1.00 44.14 ? 172 TRP H CG 1 ATOM 11858 C CD1 . TRP H 4 157 ? 28.765 -31.878 -40.541 1.00 45.55 ? 172 TRP H CD1 1 ATOM 11859 C CD2 . TRP H 4 157 ? 28.607 -31.523 -42.744 1.00 44.02 ? 172 TRP H CD2 1 ATOM 11860 N NE1 . TRP H 4 157 ? 30.023 -31.581 -41.008 1.00 44.17 ? 172 TRP H NE1 1 ATOM 11861 C CE2 . TRP H 4 157 ? 29.956 -31.354 -42.357 1.00 46.40 ? 172 TRP H CE2 1 ATOM 11862 C CE3 . TRP H 4 157 ? 28.260 -31.331 -44.092 1.00 46.45 ? 172 TRP H CE3 1 ATOM 11863 C CZ2 . TRP H 4 157 ? 30.963 -31.035 -43.272 1.00 45.27 ? 172 TRP H CZ2 1 ATOM 11864 C CZ3 . TRP H 4 157 ? 29.257 -31.001 -44.995 1.00 47.58 ? 172 TRP H CZ3 1 ATOM 11865 C CH2 . TRP H 4 157 ? 30.588 -30.843 -44.582 1.00 46.69 ? 172 TRP H CH2 1 ATOM 11866 N N . TRP H 4 158 ? 23.604 -30.876 -42.848 1.00 52.70 ? 173 TRP H N 1 ATOM 11867 C CA . TRP H 4 158 ? 22.255 -31.156 -43.338 1.00 55.18 ? 173 TRP H CA 1 ATOM 11868 C C . TRP H 4 158 ? 22.336 -31.888 -44.671 1.00 61.22 ? 173 TRP H C 1 ATOM 11869 O O . TRP H 4 158 ? 22.948 -31.390 -45.620 1.00 60.36 ? 173 TRP H O 1 ATOM 11870 C CB . TRP H 4 158 ? 21.422 -29.865 -43.456 1.00 54.23 ? 173 TRP H CB 1 ATOM 11871 C CG . TRP H 4 158 ? 21.220 -29.149 -42.151 1.00 53.85 ? 173 TRP H CG 1 ATOM 11872 C CD1 . TRP H 4 158 ? 22.136 -28.393 -41.480 1.00 54.78 ? 173 TRP H CD1 1 ATOM 11873 C CD2 . TRP H 4 158 ? 20.014 -29.095 -41.380 1.00 54.29 ? 173 TRP H CD2 1 ATOM 11874 N NE1 . TRP H 4 158 ? 21.587 -27.901 -40.321 1.00 53.46 ? 173 TRP H NE1 1 ATOM 11875 C CE2 . TRP H 4 158 ? 20.281 -28.309 -40.238 1.00 56.38 ? 173 TRP H CE2 1 ATOM 11876 C CE3 . TRP H 4 158 ? 18.731 -29.646 -41.537 1.00 57.63 ? 173 TRP H CE3 1 ATOM 11877 C CZ2 . TRP H 4 158 ? 19.313 -28.057 -39.257 1.00 55.62 ? 173 TRP H CZ2 1 ATOM 11878 C CZ3 . TRP H 4 158 ? 17.776 -29.406 -40.559 1.00 59.04 ? 173 TRP H CZ3 1 ATOM 11879 C CH2 . TRP H 4 158 ? 18.070 -28.620 -39.434 1.00 57.65 ? 173 TRP H CH2 1 ATOM 11880 N N . VAL H 4 159 ? 21.751 -33.094 -44.718 1.00 60.10 ? 174 VAL H N 1 ATOM 11881 C CA . VAL H 4 159 ? 21.707 -33.941 -45.911 1.00 62.13 ? 174 VAL H CA 1 ATOM 11882 C C . VAL H 4 159 ? 20.248 -34.016 -46.383 1.00 69.01 ? 174 VAL H C 1 ATOM 11883 O O . VAL H 4 159 ? 19.386 -34.518 -45.654 1.00 69.22 ? 174 VAL H O 1 ATOM 11884 C CB . VAL H 4 159 ? 22.331 -35.347 -45.683 1.00 66.23 ? 174 VAL H CB 1 ATOM 11885 C CG1 . VAL H 4 159 ? 22.467 -36.103 -46.996 1.00 68.11 ? 174 VAL H CG1 1 ATOM 11886 C CG2 . VAL H 4 159 ? 23.686 -35.253 -44.984 1.00 63.72 ? 174 VAL H CG2 1 ATOM 11887 N N . ASN H 4 160 ? 19.979 -33.462 -47.588 1.00 67.34 ? 175 ASN H N 1 ATOM 11888 C CA . ASN H 4 160 ? 18.671 -33.392 -48.274 1.00 69.65 ? 175 ASN H CA 1 ATOM 11889 C C . ASN H 4 160 ? 17.596 -32.630 -47.451 1.00 73.84 ? 175 ASN H C 1 ATOM 11890 O O . ASN H 4 160 ? 16.399 -32.769 -47.719 1.00 74.97 ? 175 ASN H O 1 ATOM 11891 C CB . ASN H 4 160 ? 18.163 -34.794 -48.664 1.00 71.32 ? 175 ASN H CB 1 ATOM 11892 C CG . ASN H 4 160 ? 19.098 -35.533 -49.583 1.00 92.32 ? 175 ASN H CG 1 ATOM 11893 O OD1 . ASN H 4 160 ? 19.303 -35.149 -50.739 1.00 88.88 ? 175 ASN H OD1 1 ATOM 11894 N ND2 . ASN H 4 160 ? 19.687 -36.610 -49.089 1.00 82.27 ? 175 ASN H ND2 1 ATOM 11895 N N . GLY H 4 161 ? 18.044 -31.809 -46.497 1.00 69.05 ? 176 GLY H N 1 ATOM 11896 C CA . GLY H 4 161 ? 17.173 -31.006 -45.646 1.00 68.70 ? 176 GLY H CA 1 ATOM 11897 C C . GLY H 4 161 ? 17.021 -31.494 -44.220 1.00 72.87 ? 176 GLY H C 1 ATOM 11898 O O . GLY H 4 161 ? 16.414 -30.797 -43.403 1.00 71.76 ? 176 GLY H O 1 ATOM 11899 N N . LYS H 4 162 ? 17.558 -32.691 -43.903 1.00 70.56 ? 177 LYS H N 1 ATOM 11900 C CA . LYS H 4 162 ? 17.484 -33.280 -42.560 1.00 69.93 ? 177 LYS H CA 1 ATOM 11901 C C . LYS H 4 162 ? 18.857 -33.288 -41.896 1.00 72.47 ? 177 LYS H C 1 ATOM 11902 O O . LYS H 4 162 ? 19.842 -33.704 -42.514 1.00 72.09 ? 177 LYS H O 1 ATOM 11903 C CB . LYS H 4 162 ? 16.902 -34.702 -42.612 1.00 75.00 ? 177 LYS H CB 1 ATOM 11904 C CG . LYS H 4 162 ? 15.394 -34.735 -42.847 1.00 95.88 ? 177 LYS H CG 1 ATOM 11905 C CD . LYS H 4 162 ? 14.876 -36.158 -43.030 1.00 110.34 ? 177 LYS H CD 1 ATOM 11906 C CE . LYS H 4 162 ? 13.424 -36.205 -43.451 1.00 123.00 ? 177 LYS H CE 1 ATOM 11907 N NZ . LYS H 4 162 ? 12.505 -35.857 -42.336 1.00 130.93 1 177 LYS H NZ 1 ATOM 11908 N N . GLU H 4 163 ? 18.924 -32.819 -40.635 1.00 67.96 ? 178 GLU H N 1 ATOM 11909 C CA . GLU H 4 163 ? 20.171 -32.752 -39.874 1.00 65.77 ? 178 GLU H CA 1 ATOM 11910 C C . GLU H 4 163 ? 20.669 -34.156 -39.529 1.00 70.35 ? 178 GLU H C 1 ATOM 11911 O O . GLU H 4 163 ? 19.860 -35.036 -39.225 1.00 71.65 ? 178 GLU H O 1 ATOM 11912 C CB . GLU H 4 163 ? 19.997 -31.910 -38.606 1.00 65.39 ? 178 GLU H CB 1 ATOM 11913 C CG . GLU H 4 163 ? 21.286 -31.238 -38.164 1.00 74.04 ? 178 GLU H CG 1 ATOM 11914 C CD . GLU H 4 163 ? 21.231 -30.537 -36.821 1.00 92.76 ? 178 GLU H CD 1 ATOM 11915 O OE1 . GLU H 4 163 ? 20.321 -29.702 -36.613 1.00 86.52 ? 178 GLU H OE1 1 ATOM 11916 O OE2 . GLU H 4 163 ? 22.132 -30.791 -35.989 1.00 85.69 -1 178 GLU H OE2 1 ATOM 11917 N N . VAL H 4 164 ? 21.998 -34.365 -39.609 1.00 65.51 ? 179 VAL H N 1 ATOM 11918 C CA . VAL H 4 164 ? 22.632 -35.660 -39.349 1.00 65.32 ? 179 VAL H CA 1 ATOM 11919 C C . VAL H 4 164 ? 23.784 -35.502 -38.327 1.00 66.45 ? 179 VAL H C 1 ATOM 11920 O O . VAL H 4 164 ? 24.338 -34.408 -38.179 1.00 64.17 ? 179 VAL H O 1 ATOM 11921 C CB . VAL H 4 164 ? 23.088 -36.330 -40.682 1.00 70.27 ? 179 VAL H CB 1 ATOM 11922 C CG1 . VAL H 4 164 ? 24.411 -35.759 -41.206 1.00 68.53 ? 179 VAL H CG1 1 ATOM 11923 C CG2 . VAL H 4 164 ? 23.146 -37.850 -40.555 1.00 71.48 ? 179 VAL H CG2 1 ATOM 11924 N N . HIS H 4 165 ? 24.115 -36.602 -37.621 1.00 63.20 ? 180 HIS H N 1 ATOM 11925 C CA . HIS H 4 165 ? 25.180 -36.675 -36.617 1.00 61.55 ? 180 HIS H CA 1 ATOM 11926 C C . HIS H 4 165 ? 26.087 -37.893 -36.855 1.00 65.58 ? 180 HIS H C 1 ATOM 11927 O O . HIS H 4 165 ? 27.161 -37.983 -36.257 1.00 63.91 ? 180 HIS H O 1 ATOM 11928 C CB . HIS H 4 165 ? 24.585 -36.730 -35.198 1.00 62.06 ? 180 HIS H CB 1 ATOM 11929 C CG . HIS H 4 165 ? 23.757 -35.537 -34.833 1.00 64.88 ? 180 HIS H CG 1 ATOM 11930 N ND1 . HIS H 4 165 ? 22.406 -35.477 -35.132 1.00 67.99 ? 180 HIS H ND1 1 ATOM 11931 C CD2 . HIS H 4 165 ? 24.114 -34.402 -34.188 1.00 65.01 ? 180 HIS H CD2 1 ATOM 11932 C CE1 . HIS H 4 165 ? 21.989 -34.309 -34.669 1.00 66.36 ? 180 HIS H CE1 1 ATOM 11933 N NE2 . HIS H 4 165 ? 22.981 -33.626 -34.094 1.00 64.89 ? 180 HIS H NE2 1 ATOM 11934 N N . SER H 4 166 ? 25.650 -38.829 -37.719 1.00 64.18 ? 181 SER H N 1 ATOM 11935 C CA . SER H 4 166 ? 26.392 -40.046 -38.054 1.00 65.00 ? 181 SER H CA 1 ATOM 11936 C C . SER H 4 166 ? 27.525 -39.728 -39.037 1.00 67.25 ? 181 SER H C 1 ATOM 11937 O O . SER H 4 166 ? 27.281 -39.166 -40.110 1.00 67.43 ? 181 SER H O 1 ATOM 11938 C CB . SER H 4 166 ? 25.455 -41.107 -38.628 1.00 71.11 ? 181 SER H CB 1 ATOM 11939 O OG . SER H 4 166 ? 26.140 -42.316 -38.913 1.00 80.47 ? 181 SER H OG 1 ATOM 11940 N N . GLY H 4 167 ? 28.749 -40.078 -38.640 1.00 61.76 ? 182 GLY H N 1 ATOM 11941 C CA . GLY H 4 167 ? 29.965 -39.848 -39.415 1.00 60.52 ? 182 GLY H CA 1 ATOM 11942 C C . GLY H 4 167 ? 30.421 -38.401 -39.420 1.00 61.25 ? 182 GLY H C 1 ATOM 11943 O O . GLY H 4 167 ? 31.279 -38.027 -40.225 1.00 60.01 ? 182 GLY H O 1 ATOM 11944 N N . VAL H 4 168 ? 29.849 -37.580 -38.511 1.00 55.82 ? 183 VAL H N 1 ATOM 11945 C CA . VAL H 4 168 ? 30.130 -36.153 -38.358 1.00 53.50 ? 183 VAL H CA 1 ATOM 11946 C C . VAL H 4 168 ? 31.036 -35.932 -37.152 1.00 55.89 ? 183 VAL H C 1 ATOM 11947 O O . VAL H 4 168 ? 30.745 -36.421 -36.061 1.00 55.44 ? 183 VAL H O 1 ATOM 11948 C CB . VAL H 4 168 ? 28.820 -35.315 -38.248 1.00 57.06 ? 183 VAL H CB 1 ATOM 11949 C CG1 . VAL H 4 168 ? 29.085 -33.898 -37.731 1.00 54.80 ? 183 VAL H CG1 1 ATOM 11950 C CG2 . VAL H 4 168 ? 28.075 -35.272 -39.576 1.00 58.33 ? 183 VAL H CG2 1 ATOM 11951 N N . CYS H 4 169 ? 32.111 -35.166 -37.344 1.00 51.68 ? 184 CYS H N 1 ATOM 11952 C CA . CYS H 4 169 ? 33.027 -34.816 -36.263 1.00 50.35 ? 184 CYS H CA 1 ATOM 11953 C C . CYS H 4 169 ? 33.504 -33.364 -36.453 1.00 50.37 ? 184 CYS H C 1 ATOM 11954 O O . CYS H 4 169 ? 33.961 -32.988 -37.536 1.00 49.83 ? 184 CYS H O 1 ATOM 11955 C CB . CYS H 4 169 ? 34.175 -35.823 -36.162 1.00 51.61 ? 184 CYS H CB 1 ATOM 11956 S SG . CYS H 4 169 ? 35.823 -35.172 -36.534 1.00 54.78 ? 184 CYS H SG 1 ATOM 11957 N N . THR H 4 170 ? 33.286 -32.533 -35.426 1.00 44.36 ? 185 THR H N 1 ATOM 11958 C CA . THR H 4 170 ? 33.647 -31.112 -35.433 1.00 42.40 ? 185 THR H CA 1 ATOM 11959 C C . THR H 4 170 ? 34.754 -30.871 -34.403 1.00 44.99 ? 185 THR H C 1 ATOM 11960 O O . THR H 4 170 ? 34.786 -31.550 -33.374 1.00 44.19 ? 185 THR H O 1 ATOM 11961 C CB . THR H 4 170 ? 32.404 -30.242 -35.177 1.00 44.62 ? 185 THR H CB 1 ATOM 11962 O OG1 . THR H 4 170 ? 31.334 -30.686 -36.018 1.00 44.66 ? 185 THR H OG1 1 ATOM 11963 C CG2 . THR H 4 170 ? 32.651 -28.769 -35.442 1.00 40.35 ? 185 THR H CG2 1 ATOM 11964 N N . ASP H 4 171 ? 35.667 -29.917 -34.695 1.00 41.87 ? 186 ASP H N 1 ATOM 11965 C CA . ASP H 4 171 ? 36.785 -29.549 -33.821 1.00 41.55 ? 186 ASP H CA 1 ATOM 11966 C C . ASP H 4 171 ? 36.317 -29.227 -32.406 1.00 45.55 ? 186 ASP H C 1 ATOM 11967 O O . ASP H 4 171 ? 35.297 -28.544 -32.242 1.00 44.65 ? 186 ASP H O 1 ATOM 11968 C CB . ASP H 4 171 ? 37.562 -28.349 -34.380 1.00 43.11 ? 186 ASP H CB 1 ATOM 11969 C CG . ASP H 4 171 ? 38.508 -28.686 -35.509 1.00 54.08 ? 186 ASP H CG 1 ATOM 11970 O OD1 . ASP H 4 171 ? 39.180 -29.740 -35.429 1.00 55.71 ? 186 ASP H OD1 1 ATOM 11971 O OD2 . ASP H 4 171 ? 38.613 -27.875 -36.450 1.00 58.09 -1 186 ASP H OD2 1 ATOM 11972 N N . PRO H 4 172 ? 37.036 -29.730 -31.375 1.00 42.83 ? 187 PRO H N 1 ATOM 11973 C CA . PRO H 4 172 ? 36.621 -29.451 -29.986 1.00 42.07 ? 187 PRO H CA 1 ATOM 11974 C C . PRO H 4 172 ? 36.561 -27.948 -29.715 1.00 44.50 ? 187 PRO H C 1 ATOM 11975 O O . PRO H 4 172 ? 35.510 -27.430 -29.327 1.00 43.66 ? 187 PRO H O 1 ATOM 11976 C CB . PRO H 4 172 ? 37.697 -30.152 -29.142 1.00 43.97 ? 187 PRO H CB 1 ATOM 11977 C CG . PRO H 4 172 ? 38.869 -30.352 -30.071 1.00 48.72 ? 187 PRO H CG 1 ATOM 11978 C CD . PRO H 4 172 ? 38.260 -30.560 -31.419 1.00 44.76 ? 187 PRO H CD 1 ATOM 11979 N N . GLN H 4 173 ? 37.668 -27.247 -30.011 1.00 40.90 ? 188 GLN H N 1 ATOM 11980 C CA . GLN H 4 173 ? 37.826 -25.804 -29.846 1.00 40.20 ? 188 GLN H CA 1 ATOM 11981 C C . GLN H 4 173 ? 38.257 -25.144 -31.158 1.00 42.70 ? 188 GLN H C 1 ATOM 11982 O O . GLN H 4 173 ? 39.023 -25.752 -31.913 1.00 42.45 ? 188 GLN H O 1 ATOM 11983 C CB . GLN H 4 173 ? 38.869 -25.503 -28.748 1.00 41.51 ? 188 GLN H CB 1 ATOM 11984 C CG . GLN H 4 173 ? 38.295 -25.517 -27.330 1.00 61.51 ? 188 GLN H CG 1 ATOM 11985 C CD . GLN H 4 173 ? 37.563 -24.240 -26.981 1.00 83.01 ? 188 GLN H CD 1 ATOM 11986 O OE1 . GLN H 4 173 ? 38.167 -23.171 -26.826 1.00 79.88 ? 188 GLN H OE1 1 ATOM 11987 N NE2 . GLN H 4 173 ? 36.246 -24.330 -26.824 1.00 73.53 ? 188 GLN H NE2 1 ATOM 11988 N N . PRO H 4 174 ? 37.817 -23.893 -31.442 1.00 37.75 ? 189 PRO H N 1 ATOM 11989 C CA . PRO H 4 174 ? 38.294 -23.221 -32.657 1.00 36.63 ? 189 PRO H CA 1 ATOM 11990 C C . PRO H 4 174 ? 39.731 -22.744 -32.461 1.00 37.90 ? 189 PRO H C 1 ATOM 11991 O O . PRO H 4 174 ? 40.152 -22.508 -31.318 1.00 37.47 ? 189 PRO H O 1 ATOM 11992 C CB . PRO H 4 174 ? 37.319 -22.044 -32.829 1.00 38.53 ? 189 PRO H CB 1 ATOM 11993 C CG . PRO H 4 174 ? 36.276 -22.200 -31.745 1.00 43.27 ? 189 PRO H CG 1 ATOM 11994 C CD . PRO H 4 174 ? 36.919 -23.010 -30.671 1.00 38.97 ? 189 PRO H CD 1 ATOM 11995 N N . LEU H 4 175 ? 40.500 -22.641 -33.556 1.00 32.09 ? 190 LEU H N 1 ATOM 11996 C CA . LEU H 4 175 ? 41.878 -22.169 -33.455 1.00 30.40 ? 190 LEU H CA 1 ATOM 11997 C C . LEU H 4 175 ? 41.944 -20.677 -33.784 1.00 32.17 ? 190 LEU H C 1 ATOM 11998 O O . LEU H 4 175 ? 41.122 -20.178 -34.558 1.00 32.03 ? 190 LEU H O 1 ATOM 11999 C CB . LEU H 4 175 ? 42.867 -22.988 -34.323 1.00 30.27 ? 190 LEU H CB 1 ATOM 12000 C CG . LEU H 4 175 ? 42.569 -23.205 -35.808 1.00 34.72 ? 190 LEU H CG 1 ATOM 12001 C CD1 . LEU H 4 175 ? 43.073 -22.045 -36.652 1.00 34.99 ? 190 LEU H CD1 1 ATOM 12002 C CD2 . LEU H 4 175 ? 43.245 -24.467 -36.297 1.00 36.17 ? 190 LEU H CD2 1 ATOM 12003 N N . LYS H 4 176 ? 42.914 -19.972 -33.177 1.00 26.85 ? 191 LYS H N 1 ATOM 12004 C CA . LYS H 4 176 ? 43.148 -18.549 -33.411 1.00 25.98 ? 191 LYS H CA 1 ATOM 12005 C C . LYS H 4 176 ? 43.887 -18.384 -34.721 1.00 29.43 ? 191 LYS H C 1 ATOM 12006 O O . LYS H 4 176 ? 44.951 -18.982 -34.900 1.00 29.51 ? 191 LYS H O 1 ATOM 12007 C CB . LYS H 4 176 ? 43.945 -17.914 -32.253 1.00 28.38 ? 191 LYS H CB 1 ATOM 12008 C CG . LYS H 4 176 ? 43.155 -17.759 -30.963 1.00 36.78 ? 191 LYS H CG 1 ATOM 12009 C CD . LYS H 4 176 ? 43.868 -16.825 -30.009 1.00 46.17 ? 191 LYS H CD 1 ATOM 12010 C CE . LYS H 4 176 ? 42.936 -16.327 -28.938 1.00 59.45 ? 191 LYS H CE 1 ATOM 12011 N NZ . LYS H 4 176 ? 43.455 -15.095 -28.288 1.00 71.08 1 191 LYS H NZ 1 ATOM 12012 N N . GLU H 4 177 ? 43.321 -17.603 -35.652 1.00 25.66 ? 192 GLU H N 1 ATOM 12013 C CA . GLU H 4 177 ? 43.956 -17.344 -36.952 1.00 25.50 ? 192 GLU H CA 1 ATOM 12014 C C . GLU H 4 177 ? 45.241 -16.533 -36.751 1.00 29.91 ? 192 GLU H C 1 ATOM 12015 O O . GLU H 4 177 ? 46.235 -16.787 -37.427 1.00 29.55 ? 192 GLU H O 1 ATOM 12016 C CB . GLU H 4 177 ? 42.996 -16.616 -37.908 1.00 27.16 ? 192 GLU H CB 1 ATOM 12017 C CG . GLU H 4 177 ? 41.817 -17.468 -38.349 1.00 35.19 ? 192 GLU H CG 1 ATOM 12018 C CD . GLU H 4 177 ? 40.726 -16.773 -39.145 1.00 55.65 ? 192 GLU H CD 1 ATOM 12019 O OE1 . GLU H 4 177 ? 39.880 -17.494 -39.720 1.00 50.70 ? 192 GLU H OE1 1 ATOM 12020 O OE2 . GLU H 4 177 ? 40.699 -15.521 -39.187 1.00 50.10 -1 192 GLU H OE2 1 ATOM 12021 N N . GLN H 4 178 ? 45.217 -15.571 -35.803 1.00 26.97 ? 193 GLN H N 1 ATOM 12022 C CA . GLN H 4 178 ? 46.356 -14.718 -35.457 1.00 26.91 ? 193 GLN H CA 1 ATOM 12023 C C . GLN H 4 178 ? 46.649 -14.892 -33.963 1.00 30.78 ? 193 GLN H C 1 ATOM 12024 O O . GLN H 4 178 ? 46.185 -14.090 -33.154 1.00 31.08 ? 193 GLN H O 1 ATOM 12025 C CB . GLN H 4 178 ? 46.091 -13.246 -35.845 1.00 28.44 ? 193 GLN H CB 1 ATOM 12026 C CG . GLN H 4 178 ? 45.842 -13.028 -37.350 1.00 30.30 ? 193 GLN H CG 1 ATOM 12027 C CD . GLN H 4 178 ? 47.002 -13.406 -38.252 1.00 40.96 ? 193 GLN H CD 1 ATOM 12028 O OE1 . GLN H 4 178 ? 48.173 -13.347 -37.876 1.00 37.24 ? 193 GLN H OE1 1 ATOM 12029 N NE2 . GLN H 4 178 ? 46.701 -13.781 -39.482 1.00 31.95 ? 193 GLN H NE2 1 ATOM 12030 N N . PRO H 4 179 ? 47.402 -15.957 -33.578 1.00 27.01 ? 194 PRO H N 1 ATOM 12031 C CA . PRO H 4 179 ? 47.643 -16.226 -32.142 1.00 26.94 ? 194 PRO H CA 1 ATOM 12032 C C . PRO H 4 179 ? 48.285 -15.089 -31.339 1.00 32.37 ? 194 PRO H C 1 ATOM 12033 O O . PRO H 4 179 ? 48.066 -15.031 -30.131 1.00 33.13 ? 194 PRO H O 1 ATOM 12034 C CB . PRO H 4 179 ? 48.578 -17.435 -32.166 1.00 28.34 ? 194 PRO H CB 1 ATOM 12035 C CG . PRO H 4 179 ? 48.292 -18.107 -33.458 1.00 32.37 ? 194 PRO H CG 1 ATOM 12036 C CD . PRO H 4 179 ? 48.011 -17.006 -34.424 1.00 27.89 ? 194 PRO H CD 1 ATOM 12037 N N . ALA H 4 180 ? 49.074 -14.209 -31.987 1.00 29.08 ? 195 ALA H N 1 ATOM 12038 C CA . ALA H 4 180 ? 49.748 -13.077 -31.337 1.00 29.42 ? 195 ALA H CA 1 ATOM 12039 C C . ALA H 4 180 ? 48.768 -11.962 -30.933 1.00 32.87 ? 195 ALA H C 1 ATOM 12040 O O . ALA H 4 180 ? 49.130 -11.123 -30.108 1.00 33.65 ? 195 ALA H O 1 ATOM 12041 C CB . ALA H 4 180 ? 50.825 -12.513 -32.253 1.00 30.57 ? 195 ALA H CB 1 ATOM 12042 N N . LEU H 4 181 ? 47.545 -11.939 -31.511 1.00 28.66 ? 196 LEU H N 1 ATOM 12043 C CA . LEU H 4 181 ? 46.521 -10.935 -31.188 1.00 28.57 ? 196 LEU H CA 1 ATOM 12044 C C . LEU H 4 181 ? 45.508 -11.505 -30.191 1.00 32.00 ? 196 LEU H C 1 ATOM 12045 O O . LEU H 4 181 ? 45.062 -12.648 -30.335 1.00 29.89 ? 196 LEU H O 1 ATOM 12046 C CB . LEU H 4 181 ? 45.815 -10.403 -32.450 1.00 28.33 ? 196 LEU H CB 1 ATOM 12047 C CG . LEU H 4 181 ? 46.666 -9.491 -33.361 1.00 33.04 ? 196 LEU H CG 1 ATOM 12048 C CD1 . LEU H 4 181 ? 46.084 -9.422 -34.760 1.00 33.11 ? 196 LEU H CD1 1 ATOM 12049 C CD2 . LEU H 4 181 ? 46.800 -8.084 -32.790 1.00 35.71 ? 196 LEU H CD2 1 ATOM 12050 N N . ASN H 4 182 ? 45.174 -10.711 -29.161 1.00 29.55 ? 197 ASN H N 1 ATOM 12051 C CA . ASN H 4 182 ? 44.255 -11.133 -28.111 1.00 29.32 ? 197 ASN H CA 1 ATOM 12052 C C . ASN H 4 182 ? 42.796 -11.294 -28.595 1.00 33.27 ? 197 ASN H C 1 ATOM 12053 O O . ASN H 4 182 ? 42.103 -12.200 -28.114 1.00 31.80 ? 197 ASN H O 1 ATOM 12054 C CB . ASN H 4 182 ? 44.305 -10.176 -26.925 1.00 31.25 ? 197 ASN H CB 1 ATOM 12055 C CG . ASN H 4 182 ? 43.341 -10.546 -25.821 1.00 52.73 ? 197 ASN H CG 1 ATOM 12056 O OD1 . ASN H 4 182 ? 43.272 -11.701 -25.375 1.00 50.57 ? 197 ASN H OD1 1 ATOM 12057 N ND2 . ASN H 4 182 ? 42.511 -9.594 -25.432 1.00 39.53 ? 197 ASN H ND2 1 ATOM 12058 N N . ASP H 4 183 ? 42.309 -10.418 -29.492 1.00 30.61 ? 198 ASP H N 1 ATOM 12059 C CA . ASP H 4 183 ? 40.921 -10.586 -29.936 1.00 30.47 ? 198 ASP H CA 1 ATOM 12060 C C . ASP H 4 183 ? 40.918 -11.157 -31.361 1.00 33.07 ? 198 ASP H C 1 ATOM 12061 O O . ASP H 4 183 ? 40.149 -10.722 -32.218 1.00 33.31 ? 198 ASP H O 1 ATOM 12062 C CB . ASP H 4 183 ? 40.105 -9.281 -29.798 1.00 33.65 ? 198 ASP H CB 1 ATOM 12063 C CG . ASP H 4 183 ? 39.387 -9.092 -28.452 1.00 49.15 ? 198 ASP H CG 1 ATOM 12064 O OD1 . ASP H 4 183 ? 39.396 -10.045 -27.618 1.00 47.89 ? 198 ASP H OD1 1 ATOM 12065 O OD2 . ASP H 4 183 ? 38.789 -8.007 -28.242 1.00 59.76 -1 198 ASP H OD2 1 ATOM 12066 N N . SER H 4 184 ? 41.783 -12.163 -31.588 1.00 28.23 ? 199 SER H N 1 ATOM 12067 C CA . SER H 4 184 ? 41.971 -12.870 -32.855 1.00 27.23 ? 199 SER H CA 1 ATOM 12068 C C . SER H 4 184 ? 40.683 -13.545 -33.351 1.00 30.43 ? 199 SER H C 1 ATOM 12069 O O . SER H 4 184 ? 39.948 -14.140 -32.556 1.00 30.32 ? 199 SER H O 1 ATOM 12070 C CB . SER H 4 184 ? 43.051 -13.934 -32.701 1.00 29.66 ? 199 SER H CB 1 ATOM 12071 O OG . SER H 4 184 ? 43.182 -14.730 -33.871 1.00 38.76 ? 199 SER H OG 1 ATOM 12072 N N . ARG H 4 185 ? 40.442 -13.483 -34.675 1.00 25.66 ? 200 ARG H N 1 ATOM 12073 C CA . ARG H 4 185 ? 39.308 -14.165 -35.289 1.00 24.58 ? 200 ARG H CA 1 ATOM 12074 C C . ARG H 4 185 ? 39.619 -15.665 -35.287 1.00 27.62 ? 200 ARG H C 1 ATOM 12075 O O . ARG H 4 185 ? 40.791 -16.057 -35.283 1.00 26.86 ? 200 ARG H O 1 ATOM 12076 C CB . ARG H 4 185 ? 39.016 -13.621 -36.693 1.00 22.99 ? 200 ARG H CB 1 ATOM 12077 C CG . ARG H 4 185 ? 38.186 -12.354 -36.658 1.00 28.14 ? 200 ARG H CG 1 ATOM 12078 C CD . ARG H 4 185 ? 38.574 -11.401 -37.768 1.00 30.12 ? 200 ARG H CD 1 ATOM 12079 N NE . ARG H 4 185 ? 37.674 -11.518 -38.912 1.00 34.80 ? 200 ARG H NE 1 ATOM 12080 C CZ . ARG H 4 185 ? 37.470 -10.562 -39.811 1.00 48.13 ? 200 ARG H CZ 1 ATOM 12081 N NH1 . ARG H 4 185 ? 38.105 -9.400 -39.711 1.00 33.80 1 200 ARG H NH1 1 ATOM 12082 N NH2 . ARG H 4 185 ? 36.624 -10.757 -40.813 1.00 37.03 ? 200 ARG H NH2 1 ATOM 12083 N N . TYR H 4 186 ? 38.582 -16.489 -35.217 1.00 23.66 ? 201 TYR H N 1 ATOM 12084 C CA . TYR H 4 186 ? 38.720 -17.932 -35.104 1.00 23.00 ? 201 TYR H CA 1 ATOM 12085 C C . TYR H 4 186 ? 38.388 -18.673 -36.374 1.00 26.73 ? 201 TYR H C 1 ATOM 12086 O O . TYR H 4 186 ? 37.726 -18.145 -37.264 1.00 26.59 ? 201 TYR H O 1 ATOM 12087 C CB . TYR H 4 186 ? 37.804 -18.466 -33.994 1.00 23.92 ? 201 TYR H CB 1 ATOM 12088 C CG . TYR H 4 186 ? 38.107 -17.943 -32.614 1.00 24.75 ? 201 TYR H CG 1 ATOM 12089 C CD1 . TYR H 4 186 ? 39.034 -18.579 -31.797 1.00 26.60 ? 201 TYR H CD1 1 ATOM 12090 C CD2 . TYR H 4 186 ? 37.412 -16.856 -32.092 1.00 25.46 ? 201 TYR H CD2 1 ATOM 12091 C CE1 . TYR H 4 186 ? 39.288 -18.127 -30.501 1.00 27.36 ? 201 TYR H CE1 1 ATOM 12092 C CE2 . TYR H 4 186 ? 37.661 -16.391 -30.801 1.00 26.27 ? 201 TYR H CE2 1 ATOM 12093 C CZ . TYR H 4 186 ? 38.596 -17.034 -30.006 1.00 33.87 ? 201 TYR H CZ 1 ATOM 12094 O OH . TYR H 4 186 ? 38.846 -16.581 -28.731 1.00 37.50 ? 201 TYR H OH 1 ATOM 12095 N N . ALA H 4 187 ? 38.819 -19.930 -36.414 1.00 23.59 ? 202 ALA H N 1 ATOM 12096 C CA . ALA H 4 187 ? 38.565 -20.874 -37.487 1.00 24.24 ? 202 ALA H CA 1 ATOM 12097 C C . ALA H 4 187 ? 38.184 -22.220 -36.896 1.00 28.65 ? 202 ALA H C 1 ATOM 12098 O O . ALA H 4 187 ? 38.736 -22.630 -35.877 1.00 28.16 ? 202 ALA H O 1 ATOM 12099 C CB . ALA H 4 187 ? 39.780 -21.004 -38.379 1.00 24.99 ? 202 ALA H CB 1 ATOM 12100 N N . LEU H 4 188 ? 37.220 -22.890 -37.520 1.00 26.20 ? 203 LEU H N 1 ATOM 12101 C CA . LEU H 4 188 ? 36.717 -24.193 -37.090 1.00 26.35 ? 203 LEU H CA 1 ATOM 12102 C C . LEU H 4 188 ? 36.485 -25.090 -38.300 1.00 31.18 ? 203 LEU H C 1 ATOM 12103 O O . LEU H 4 188 ? 36.014 -24.612 -39.334 1.00 31.07 ? 203 LEU H O 1 ATOM 12104 C CB . LEU H 4 188 ? 35.409 -24.001 -36.297 1.00 26.51 ? 203 LEU H CB 1 ATOM 12105 C CG . LEU H 4 188 ? 34.865 -25.211 -35.546 1.00 31.69 ? 203 LEU H CG 1 ATOM 12106 C CD1 . LEU H 4 188 ? 35.424 -25.274 -34.137 1.00 31.15 ? 203 LEU H CD1 1 ATOM 12107 C CD2 . LEU H 4 188 ? 33.365 -25.140 -35.464 1.00 35.28 ? 203 LEU H CD2 1 ATOM 12108 N N . SER H 4 189 ? 36.825 -26.383 -38.172 1.00 28.71 ? 204 SER H N 1 ATOM 12109 C CA . SER H 4 189 ? 36.632 -27.363 -39.238 1.00 29.78 ? 204 SER H CA 1 ATOM 12110 C C . SER H 4 189 ? 35.758 -28.529 -38.771 1.00 34.76 ? 204 SER H C 1 ATOM 12111 O O . SER H 4 189 ? 35.833 -28.946 -37.613 1.00 34.15 ? 204 SER H O 1 ATOM 12112 C CB . SER H 4 189 ? 37.969 -27.880 -39.760 1.00 34.17 ? 204 SER H CB 1 ATOM 12113 O OG . SER H 4 189 ? 38.491 -28.947 -38.986 1.00 46.07 ? 204 SER H OG 1 ATOM 12114 N N . SER H 4 190 ? 34.926 -29.045 -39.682 1.00 32.79 ? 205 SER H N 1 ATOM 12115 C CA . SER H 4 190 ? 34.051 -30.187 -39.426 1.00 33.17 ? 205 SER H CA 1 ATOM 12116 C C . SER H 4 190 ? 34.127 -31.168 -40.574 1.00 37.60 ? 205 SER H C 1 ATOM 12117 O O . SER H 4 190 ? 34.312 -30.772 -41.723 1.00 36.95 ? 205 SER H O 1 ATOM 12118 C CB . SER H 4 190 ? 32.614 -29.745 -39.199 1.00 36.80 ? 205 SER H CB 1 ATOM 12119 O OG . SER H 4 190 ? 31.812 -30.849 -38.814 1.00 46.34 ? 205 SER H OG 1 ATOM 12120 N N . ARG H 4 191 ? 33.993 -32.455 -40.250 1.00 35.53 ? 206 ARG H N 1 ATOM 12121 C CA . ARG H 4 191 ? 34.091 -33.563 -41.195 1.00 36.89 ? 206 ARG H CA 1 ATOM 12122 C C . ARG H 4 191 ? 32.811 -34.368 -41.235 1.00 41.84 ? 206 ARG H C 1 ATOM 12123 O O . ARG H 4 191 ? 32.235 -34.669 -40.188 1.00 41.51 ? 206 ARG H O 1 ATOM 12124 C CB . ARG H 4 191 ? 35.266 -34.503 -40.814 1.00 37.33 ? 206 ARG H CB 1 ATOM 12125 C CG . ARG H 4 191 ? 36.685 -33.936 -40.976 1.00 44.00 ? 206 ARG H CG 1 ATOM 12126 C CD . ARG H 4 191 ? 37.058 -32.973 -39.863 1.00 43.58 ? 206 ARG H CD 1 ATOM 12127 N NE . ARG H 4 191 ? 38.313 -33.304 -39.200 1.00 40.02 ? 206 ARG H NE 1 ATOM 12128 C CZ . ARG H 4 191 ? 38.835 -32.578 -38.220 1.00 50.32 ? 206 ARG H CZ 1 ATOM 12129 N NH1 . ARG H 4 191 ? 39.975 -32.943 -37.651 1.00 40.94 1 206 ARG H NH1 1 ATOM 12130 N NH2 . ARG H 4 191 ? 38.215 -31.485 -37.793 1.00 35.53 ? 206 ARG H NH2 1 ATOM 12131 N N . LEU H 4 192 ? 32.373 -34.718 -42.450 1.00 39.14 ? 207 LEU H N 1 ATOM 12132 C CA . LEU H 4 192 ? 31.242 -35.601 -42.705 1.00 40.20 ? 207 LEU H CA 1 ATOM 12133 C C . LEU H 4 192 ? 31.761 -36.692 -43.622 1.00 44.24 ? 207 LEU H C 1 ATOM 12134 O O . LEU H 4 192 ? 32.098 -36.413 -44.773 1.00 43.46 ? 207 LEU H O 1 ATOM 12135 C CB . LEU H 4 192 ? 30.008 -34.862 -43.288 1.00 41.03 ? 207 LEU H CB 1 ATOM 12136 C CG . LEU H 4 192 ? 28.923 -35.724 -43.995 1.00 48.28 ? 207 LEU H CG 1 ATOM 12137 C CD1 . LEU H 4 192 ? 28.145 -36.588 -43.017 1.00 49.16 ? 207 LEU H CD1 1 ATOM 12138 C CD2 . LEU H 4 192 ? 27.962 -34.868 -44.777 1.00 51.77 ? 207 LEU H CD2 1 ATOM 12139 N N . ARG H 4 193 ? 31.909 -37.913 -43.089 1.00 41.68 ? 208 ARG H N 1 ATOM 12140 C CA . ARG H 4 193 ? 32.360 -39.059 -43.874 1.00 42.76 ? 208 ARG H CA 1 ATOM 12141 C C . ARG H 4 193 ? 31.146 -39.885 -44.260 1.00 50.01 ? 208 ARG H C 1 ATOM 12142 O O . ARG H 4 193 ? 30.305 -40.181 -43.408 1.00 50.01 ? 208 ARG H O 1 ATOM 12143 C CB . ARG H 4 193 ? 33.399 -39.895 -43.119 1.00 40.38 ? 208 ARG H CB 1 ATOM 12144 C CG . ARG H 4 193 ? 34.250 -40.759 -44.041 1.00 42.90 ? 208 ARG H CG 1 ATOM 12145 C CD . ARG H 4 193 ? 35.512 -41.235 -43.354 1.00 35.99 ? 208 ARG H CD 1 ATOM 12146 N NE . ARG H 4 193 ? 36.433 -41.834 -44.319 1.00 37.26 ? 208 ARG H NE 1 ATOM 12147 C CZ . ARG H 4 193 ? 37.624 -42.336 -44.015 1.00 48.95 ? 208 ARG H CZ 1 ATOM 12148 N NH1 . ARG H 4 193 ? 38.392 -42.855 -44.962 1.00 34.89 1 208 ARG H NH1 1 ATOM 12149 N NH2 . ARG H 4 193 ? 38.060 -42.315 -42.763 1.00 32.39 ? 208 ARG H NH2 1 ATOM 12150 N N . VAL H 4 194 ? 31.026 -40.201 -45.559 1.00 48.90 ? 209 VAL H N 1 ATOM 12151 C CA . VAL H 4 194 ? 29.899 -40.962 -46.118 1.00 51.20 ? 209 VAL H CA 1 ATOM 12152 C C . VAL H 4 194 ? 30.434 -42.074 -47.026 1.00 57.83 ? 209 VAL H C 1 ATOM 12153 O O . VAL H 4 194 ? 31.644 -42.159 -47.235 1.00 56.69 ? 209 VAL H O 1 ATOM 12154 C CB . VAL H 4 194 ? 28.867 -40.057 -46.862 1.00 55.26 ? 209 VAL H CB 1 ATOM 12155 C CG1 . VAL H 4 194 ? 28.036 -39.236 -45.882 1.00 53.75 ? 209 VAL H CG1 1 ATOM 12156 C CG2 . VAL H 4 194 ? 29.533 -39.156 -47.905 1.00 54.23 ? 209 VAL H CG2 1 ATOM 12157 N N . SER H 4 195 ? 29.543 -42.929 -47.556 1.00 57.46 ? 210 SER H N 1 ATOM 12158 C CA . SER H 4 195 ? 29.951 -43.980 -48.480 1.00 59.41 ? 210 SER H CA 1 ATOM 12159 C C . SER H 4 195 ? 30.194 -43.362 -49.848 1.00 63.37 ? 210 SER H C 1 ATOM 12160 O O . SER H 4 195 ? 29.596 -42.326 -50.162 1.00 62.05 ? 210 SER H O 1 ATOM 12161 C CB . SER H 4 195 ? 28.895 -45.081 -48.561 1.00 66.46 ? 210 SER H CB 1 ATOM 12162 O OG . SER H 4 195 ? 27.866 -44.786 -49.493 1.00 78.16 ? 210 SER H OG 1 ATOM 12163 N N . ALA H 4 196 ? 31.067 -43.996 -50.655 1.00 61.01 ? 211 ALA H N 1 ATOM 12164 C CA . ALA H 4 196 ? 31.398 -43.569 -52.012 1.00 61.26 ? 211 ALA H CA 1 ATOM 12165 C C . ALA H 4 196 ? 30.138 -43.506 -52.882 1.00 67.43 ? 211 ALA H C 1 ATOM 12166 O O . ALA H 4 196 ? 29.943 -42.525 -53.600 1.00 66.51 ? 211 ALA H O 1 ATOM 12167 C CB . ALA H 4 196 ? 32.415 -44.522 -52.623 1.00 63.02 ? 211 ALA H CB 1 ATOM 12168 N N . THR H 4 197 ? 29.260 -44.530 -52.763 1.00 66.64 ? 212 THR H N 1 ATOM 12169 C CA . THR H 4 197 ? 27.986 -44.646 -53.484 1.00 69.15 ? 212 THR H CA 1 ATOM 12170 C C . THR H 4 197 ? 27.040 -43.493 -53.128 1.00 71.79 ? 212 THR H C 1 ATOM 12171 O O . THR H 4 197 ? 26.308 -43.025 -54.003 1.00 73.15 ? 212 THR H O 1 ATOM 12172 C CB . THR H 4 197 ? 27.309 -45.998 -53.203 1.00 78.92 ? 212 THR H CB 1 ATOM 12173 O OG1 . THR H 4 197 ? 27.218 -46.201 -51.790 1.00 77.79 ? 212 THR H OG1 1 ATOM 12174 C CG2 . THR H 4 197 ? 28.028 -47.166 -53.860 1.00 77.83 ? 212 THR H CG2 1 ATOM 12175 N N . PHE H 4 198 ? 27.062 -43.035 -51.853 1.00 65.42 ? 213 PHE H N 1 ATOM 12176 C CA . PHE H 4 198 ? 26.223 -41.934 -51.380 1.00 63.49 ? 213 PHE H CA 1 ATOM 12177 C C . PHE H 4 198 ? 26.678 -40.590 -51.969 1.00 64.65 ? 213 PHE H C 1 ATOM 12178 O O . PHE H 4 198 ? 25.828 -39.827 -52.427 1.00 64.79 ? 213 PHE H O 1 ATOM 12179 C CB . PHE H 4 198 ? 26.185 -41.867 -49.849 1.00 63.36 ? 213 PHE H CB 1 ATOM 12180 C CG . PHE H 4 198 ? 25.011 -41.067 -49.339 1.00 64.73 ? 213 PHE H CG 1 ATOM 12181 C CD1 . PHE H 4 198 ? 23.762 -41.657 -49.183 1.00 70.09 ? 213 PHE H CD1 1 ATOM 12182 C CD2 . PHE H 4 198 ? 25.146 -39.717 -49.042 1.00 64.63 ? 213 PHE H CD2 1 ATOM 12183 C CE1 . PHE H 4 198 ? 22.669 -40.910 -48.733 1.00 70.86 ? 213 PHE H CE1 1 ATOM 12184 C CE2 . PHE H 4 198 ? 24.050 -38.969 -48.605 1.00 67.43 ? 213 PHE H CE2 1 ATOM 12185 C CZ . PHE H 4 198 ? 22.823 -39.573 -48.441 1.00 67.60 ? 213 PHE H CZ 1 ATOM 12186 N N . TRP H 4 199 ? 28.001 -40.302 -51.971 1.00 58.41 ? 214 TRP H N 1 ATOM 12187 C CA . TRP H 4 199 ? 28.538 -39.060 -52.540 1.00 56.41 ? 214 TRP H CA 1 ATOM 12188 C C . TRP H 4 199 ? 28.388 -39.038 -54.078 1.00 62.28 ? 214 TRP H C 1 ATOM 12189 O O . TRP H 4 199 ? 28.042 -37.995 -54.633 1.00 61.61 ? 214 TRP H O 1 ATOM 12190 C CB . TRP H 4 199 ? 30.015 -38.840 -52.142 1.00 52.44 ? 214 TRP H CB 1 ATOM 12191 C CG . TRP H 4 199 ? 30.725 -37.807 -52.978 1.00 52.03 ? 214 TRP H CG 1 ATOM 12192 C CD1 . TRP H 4 199 ? 31.641 -38.038 -53.964 1.00 55.18 ? 214 TRP H CD1 1 ATOM 12193 C CD2 . TRP H 4 199 ? 30.506 -36.386 -52.958 1.00 50.40 ? 214 TRP H CD2 1 ATOM 12194 N NE1 . TRP H 4 199 ? 32.029 -36.849 -54.540 1.00 53.40 ? 214 TRP H NE1 1 ATOM 12195 C CE2 . TRP H 4 199 ? 31.342 -35.819 -53.947 1.00 53.63 ? 214 TRP H CE2 1 ATOM 12196 C CE3 . TRP H 4 199 ? 29.691 -35.533 -52.190 1.00 50.73 ? 214 TRP H CE3 1 ATOM 12197 C CZ2 . TRP H 4 199 ? 31.384 -34.439 -54.190 1.00 51.58 ? 214 TRP H CZ2 1 ATOM 12198 C CZ3 . TRP H 4 199 ? 29.733 -34.168 -52.431 1.00 50.89 ? 214 TRP H CZ3 1 ATOM 12199 C CH2 . TRP H 4 199 ? 30.572 -33.634 -53.418 1.00 51.13 ? 214 TRP H CH2 1 ATOM 12200 N N . GLN H 4 200 ? 28.648 -40.176 -54.756 1.00 60.50 ? 215 GLN H N 1 ATOM 12201 C CA . GLN H 4 200 ? 28.577 -40.276 -56.218 1.00 62.10 ? 215 GLN H CA 1 ATOM 12202 C C . GLN H 4 200 ? 27.134 -40.149 -56.754 1.00 69.55 ? 215 GLN H C 1 ATOM 12203 O O . GLN H 4 200 ? 26.943 -40.028 -57.966 1.00 70.90 ? 215 GLN H O 1 ATOM 12204 C CB . GLN H 4 200 ? 29.236 -41.570 -56.703 1.00 64.69 ? 215 GLN H CB 1 ATOM 12205 C CG . GLN H 4 200 ? 30.765 -41.495 -56.670 1.00 73.34 ? 215 GLN H CG 1 ATOM 12206 C CD . GLN H 4 200 ? 31.466 -42.838 -56.649 1.00 92.42 ? 215 GLN H CD 1 ATOM 12207 O OE1 . GLN H 4 200 ? 30.858 -43.905 -56.462 1.00 91.05 ? 215 GLN H OE1 1 ATOM 12208 N NE2 . GLN H 4 200 ? 32.783 -42.808 -56.809 1.00 80.17 ? 215 GLN H NE2 1 ATOM 12209 N N . ASN H 4 201 ? 26.133 -40.132 -55.849 1.00 67.36 ? 216 ASN H N 1 ATOM 12210 C CA . ASN H 4 201 ? 24.720 -39.954 -56.177 1.00 69.95 ? 216 ASN H CA 1 ATOM 12211 C C . ASN H 4 201 ? 24.440 -38.444 -56.339 1.00 74.72 ? 216 ASN H C 1 ATOM 12212 O O . ASN H 4 201 ? 24.583 -37.695 -55.367 1.00 72.06 ? 216 ASN H O 1 ATOM 12213 C CB . ASN H 4 201 ? 23.826 -40.593 -55.101 1.00 69.46 ? 216 ASN H CB 1 ATOM 12214 C CG . ASN H 4 201 ? 22.357 -40.683 -55.456 1.00 90.55 ? 216 ASN H CG 1 ATOM 12215 O OD1 . ASN H 4 201 ? 21.966 -40.791 -56.624 1.00 88.96 ? 216 ASN H OD1 1 ATOM 12216 N ND2 . ASN H 4 201 ? 21.509 -40.704 -54.439 1.00 79.90 ? 216 ASN H ND2 1 ATOM 12217 N N . PRO H 4 202 ? 24.075 -37.969 -57.558 1.00 74.30 ? 217 PRO H N 1 ATOM 12218 C CA . PRO H 4 202 ? 23.861 -36.521 -57.757 1.00 73.42 ? 217 PRO H CA 1 ATOM 12219 C C . PRO H 4 202 ? 22.555 -35.994 -57.160 1.00 78.39 ? 217 PRO H C 1 ATOM 12220 O O . PRO H 4 202 ? 22.337 -34.780 -57.153 1.00 76.81 ? 217 PRO H O 1 ATOM 12221 C CB . PRO H 4 202 ? 23.856 -36.368 -59.288 1.00 77.30 ? 217 PRO H CB 1 ATOM 12222 C CG . PRO H 4 202 ? 24.301 -37.701 -59.841 1.00 83.47 ? 217 PRO H CG 1 ATOM 12223 C CD . PRO H 4 202 ? 23.888 -38.705 -58.821 1.00 79.23 ? 217 PRO H CD 1 ATOM 12224 N N . ARG H 4 203 ? 21.697 -36.904 -56.663 1.00 77.11 ? 218 ARG H N 1 ATOM 12225 C CA . ARG H 4 203 ? 20.404 -36.605 -56.043 1.00 77.78 ? 218 ARG H CA 1 ATOM 12226 C C . ARG H 4 203 ? 20.575 -36.059 -54.623 1.00 78.91 ? 218 ARG H C 1 ATOM 12227 O O . ARG H 4 203 ? 19.657 -35.424 -54.098 1.00 78.87 ? 218 ARG H O 1 ATOM 12228 C CB . ARG H 4 203 ? 19.522 -37.875 -55.994 1.00 81.15 ? 218 ARG H CB 1 ATOM 12229 C CG . ARG H 4 203 ? 19.476 -38.702 -57.278 1.00 95.25 ? 218 ARG H CG 1 ATOM 12230 C CD . ARG H 4 203 ? 18.501 -38.147 -58.285 1.00 108.67 ? 218 ARG H CD 1 ATOM 12231 N NE . ARG H 4 203 ? 17.214 -38.838 -58.238 1.00 122.70 ? 218 ARG H NE 1 ATOM 12232 C CZ . ARG H 4 203 ? 16.041 -38.249 -58.443 1.00 140.29 ? 218 ARG H CZ 1 ATOM 12233 N NH1 . ARG H 4 203 ? 14.920 -38.955 -58.390 1.00 130.44 1 218 ARG H NH1 1 ATOM 12234 N NH2 . ARG H 4 203 ? 15.979 -36.949 -58.707 1.00 127.27 ? 218 ARG H NH2 1 ATOM 12235 N N . ASN H 4 204 ? 21.739 -36.332 -53.996 1.00 72.64 ? 219 ASN H N 1 ATOM 12236 C CA . ASN H 4 204 ? 22.028 -35.943 -52.619 1.00 69.74 ? 219 ASN H CA 1 ATOM 12237 C C . ASN H 4 204 ? 22.609 -34.528 -52.518 1.00 71.33 ? 219 ASN H C 1 ATOM 12238 O O . ASN H 4 204 ? 23.517 -34.159 -53.265 1.00 70.32 ? 219 ASN H O 1 ATOM 12239 C CB . ASN H 4 204 ? 22.949 -36.967 -51.950 1.00 68.23 ? 219 ASN H CB 1 ATOM 12240 C CG . ASN H 4 204 ? 22.332 -38.345 -51.817 1.00 84.34 ? 219 ASN H CG 1 ATOM 12241 O OD1 . ASN H 4 204 ? 21.120 -38.510 -51.624 1.00 80.84 ? 219 ASN H OD1 1 ATOM 12242 N ND2 . ASN H 4 204 ? 23.153 -39.373 -51.906 1.00 73.37 ? 219 ASN H ND2 1 ATOM 12243 N N . HIS H 4 205 ? 22.037 -33.736 -51.596 1.00 66.57 ? 220 HIS H N 1 ATOM 12244 C CA . HIS H 4 205 ? 22.416 -32.355 -51.307 1.00 64.23 ? 220 HIS H CA 1 ATOM 12245 C C . HIS H 4 205 ? 23.010 -32.285 -49.913 1.00 64.82 ? 220 HIS H C 1 ATOM 12246 O O . HIS H 4 205 ? 22.354 -32.672 -48.941 1.00 64.18 ? 220 HIS H O 1 ATOM 12247 C CB . HIS H 4 205 ? 21.199 -31.422 -51.440 1.00 66.06 ? 220 HIS H CB 1 ATOM 12248 C CG . HIS H 4 205 ? 21.477 -29.986 -51.116 1.00 67.57 ? 220 HIS H CG 1 ATOM 12249 N ND1 . HIS H 4 205 ? 21.031 -29.416 -49.937 1.00 68.02 ? 220 HIS H ND1 1 ATOM 12250 C CD2 . HIS H 4 205 ? 22.126 -29.044 -51.838 1.00 68.73 ? 220 HIS H CD2 1 ATOM 12251 C CE1 . HIS H 4 205 ? 21.427 -28.154 -49.975 1.00 66.13 ? 220 HIS H CE1 1 ATOM 12252 N NE2 . HIS H 4 205 ? 22.087 -27.883 -51.100 1.00 66.84 ? 220 HIS H NE2 1 ATOM 12253 N N . PHE H 4 206 ? 24.263 -31.810 -49.826 1.00 58.90 ? 221 PHE H N 1 ATOM 12254 C CA . PHE H 4 206 ? 25.017 -31.667 -48.579 1.00 56.06 ? 221 PHE H CA 1 ATOM 12255 C C . PHE H 4 206 ? 25.181 -30.186 -48.262 1.00 57.89 ? 221 PHE H C 1 ATOM 12256 O O . PHE H 4 206 ? 25.631 -29.430 -49.125 1.00 57.14 ? 221 PHE H O 1 ATOM 12257 C CB . PHE H 4 206 ? 26.395 -32.359 -48.692 1.00 56.87 ? 221 PHE H CB 1 ATOM 12258 C CG . PHE H 4 206 ? 26.348 -33.796 -49.160 1.00 59.99 ? 221 PHE H CG 1 ATOM 12259 C CD1 . PHE H 4 206 ? 26.340 -34.104 -50.517 1.00 64.50 ? 221 PHE H CD1 1 ATOM 12260 C CD2 . PHE H 4 206 ? 26.309 -34.841 -48.246 1.00 62.17 ? 221 PHE H CD2 1 ATOM 12261 C CE1 . PHE H 4 206 ? 26.275 -35.432 -50.948 1.00 67.24 ? 221 PHE H CE1 1 ATOM 12262 C CE2 . PHE H 4 206 ? 26.257 -36.170 -48.681 1.00 66.75 ? 221 PHE H CE2 1 ATOM 12263 C CZ . PHE H 4 206 ? 26.236 -36.456 -50.029 1.00 66.39 ? 221 PHE H CZ 1 ATOM 12264 N N . ARG H 4 207 ? 24.798 -29.762 -47.047 1.00 53.59 ? 222 ARG H N 1 ATOM 12265 C CA . ARG H 4 207 ? 24.917 -28.358 -46.651 1.00 52.16 ? 222 ARG H CA 1 ATOM 12266 C C . ARG H 4 207 ? 25.460 -28.224 -45.229 1.00 53.22 ? 222 ARG H C 1 ATOM 12267 O O . ARG H 4 207 ? 24.827 -28.685 -44.278 1.00 52.33 ? 222 ARG H O 1 ATOM 12268 C CB . ARG H 4 207 ? 23.568 -27.624 -46.796 1.00 54.33 ? 222 ARG H CB 1 ATOM 12269 C CG . ARG H 4 207 ? 23.597 -26.154 -46.363 1.00 62.20 ? 222 ARG H CG 1 ATOM 12270 C CD . ARG H 4 207 ? 22.224 -25.513 -46.421 1.00 74.10 ? 222 ARG H CD 1 ATOM 12271 N NE . ARG H 4 207 ? 21.296 -26.086 -45.439 1.00 84.33 ? 222 ARG H NE 1 ATOM 12272 C CZ . ARG H 4 207 ? 20.949 -25.502 -44.297 1.00 94.50 ? 222 ARG H CZ 1 ATOM 12273 N NH1 . ARG H 4 207 ? 20.101 -26.100 -43.471 1.00 80.50 1 222 ARG H NH1 1 ATOM 12274 N NH2 . ARG H 4 207 ? 21.439 -24.311 -43.975 1.00 78.90 ? 222 ARG H NH2 1 ATOM 12275 N N . CYS H 4 208 ? 26.634 -27.580 -45.095 1.00 48.71 ? 223 CYS H N 1 ATOM 12276 C CA . CYS H 4 208 ? 27.246 -27.303 -43.795 1.00 46.82 ? 223 CYS H CA 1 ATOM 12277 C C . CYS H 4 208 ? 26.641 -26.014 -43.250 1.00 48.99 ? 223 CYS H C 1 ATOM 12278 O O . CYS H 4 208 ? 26.730 -24.974 -43.905 1.00 48.48 ? 223 CYS H O 1 ATOM 12279 C CB . CYS H 4 208 ? 28.767 -27.216 -43.885 1.00 46.10 ? 223 CYS H CB 1 ATOM 12280 S SG . CYS H 4 208 ? 29.549 -26.585 -42.374 1.00 48.23 ? 223 CYS H SG 1 ATOM 12281 N N . GLN H 4 209 ? 26.027 -26.084 -42.059 1.00 44.64 ? 224 GLN H N 1 ATOM 12282 C CA . GLN H 4 209 ? 25.392 -24.932 -41.430 1.00 44.04 ? 224 GLN H CA 1 ATOM 12283 C C . GLN H 4 209 ? 26.148 -24.515 -40.164 1.00 46.30 ? 224 GLN H C 1 ATOM 12284 O O . GLN H 4 209 ? 26.431 -25.349 -39.296 1.00 45.87 ? 224 GLN H O 1 ATOM 12285 C CB . GLN H 4 209 ? 23.912 -25.239 -41.110 1.00 46.62 ? 224 GLN H CB 1 ATOM 12286 C CG . GLN H 4 209 ? 23.118 -24.038 -40.580 1.00 59.73 ? 224 GLN H CG 1 ATOM 12287 C CD . GLN H 4 209 ? 21.668 -24.354 -40.283 1.00 79.24 ? 224 GLN H CD 1 ATOM 12288 O OE1 . GLN H 4 209 ? 20.855 -24.608 -41.182 1.00 77.39 ? 224 GLN H OE1 1 ATOM 12289 N NE2 . GLN H 4 209 ? 21.298 -24.293 -39.012 1.00 68.20 ? 224 GLN H NE2 1 ATOM 12290 N N . VAL H 4 210 ? 26.467 -23.213 -40.070 1.00 40.96 ? 225 VAL H N 1 ATOM 12291 C CA . VAL H 4 210 ? 27.121 -22.620 -38.903 1.00 38.54 ? 225 VAL H CA 1 ATOM 12292 C C . VAL H 4 210 ? 26.189 -21.538 -38.346 1.00 41.06 ? 225 VAL H C 1 ATOM 12293 O O . VAL H 4 210 ? 25.884 -20.557 -39.037 1.00 40.90 ? 225 VAL H O 1 ATOM 12294 C CB . VAL H 4 210 ? 28.557 -22.071 -39.173 1.00 41.42 ? 225 VAL H CB 1 ATOM 12295 C CG1 . VAL H 4 210 ? 29.171 -21.465 -37.907 1.00 39.70 ? 225 VAL H CG1 1 ATOM 12296 C CG2 . VAL H 4 210 ? 29.473 -23.150 -39.739 1.00 41.25 ? 225 VAL H CG2 1 ATOM 12297 N N . GLN H 4 211 ? 25.721 -21.745 -37.104 1.00 36.14 ? 226 GLN H N 1 ATOM 12298 C CA . GLN H 4 211 ? 24.896 -20.788 -36.386 1.00 35.00 ? 226 GLN H CA 1 ATOM 12299 C C . GLN H 4 211 ? 25.842 -19.920 -35.565 1.00 35.44 ? 226 GLN H C 1 ATOM 12300 O O . GLN H 4 211 ? 26.462 -20.397 -34.613 1.00 34.23 ? 226 GLN H O 1 ATOM 12301 C CB . GLN H 4 211 ? 23.838 -21.507 -35.517 1.00 36.67 ? 226 GLN H CB 1 ATOM 12302 C CG . GLN H 4 211 ? 23.025 -20.608 -34.575 1.00 48.48 ? 226 GLN H CG 1 ATOM 12303 C CD . GLN H 4 211 ? 22.044 -19.698 -35.272 1.00 66.11 ? 226 GLN H CD 1 ATOM 12304 O OE1 . GLN H 4 211 ? 22.363 -18.562 -35.644 1.00 60.55 ? 226 GLN H OE1 1 ATOM 12305 N NE2 . GLN H 4 211 ? 20.813 -20.159 -35.418 1.00 60.95 ? 226 GLN H NE2 1 ATOM 12306 N N . PHE H 4 212 ? 26.016 -18.672 -35.993 1.00 30.71 ? 227 PHE H N 1 ATOM 12307 C CA . PHE H 4 212 ? 26.849 -17.703 -35.294 1.00 28.98 ? 227 PHE H CA 1 ATOM 12308 C C . PHE H 4 212 ? 25.978 -16.901 -34.358 1.00 33.00 ? 227 PHE H C 1 ATOM 12309 O O . PHE H 4 212 ? 24.912 -16.424 -34.766 1.00 32.65 ? 227 PHE H O 1 ATOM 12310 C CB . PHE H 4 212 ? 27.578 -16.778 -36.283 1.00 30.56 ? 227 PHE H CB 1 ATOM 12311 C CG . PHE H 4 212 ? 28.295 -15.584 -35.684 1.00 30.95 ? 227 PHE H CG 1 ATOM 12312 C CD1 . PHE H 4 212 ? 29.568 -15.716 -35.137 1.00 32.67 ? 227 PHE H CD1 1 ATOM 12313 C CD2 . PHE H 4 212 ? 27.721 -14.316 -35.720 1.00 33.25 ? 227 PHE H CD2 1 ATOM 12314 C CE1 . PHE H 4 212 ? 30.238 -14.608 -34.605 1.00 33.08 ? 227 PHE H CE1 1 ATOM 12315 C CE2 . PHE H 4 212 ? 28.393 -13.209 -35.187 1.00 35.54 ? 227 PHE H CE2 1 ATOM 12316 C CZ . PHE H 4 212 ? 29.646 -13.362 -34.632 1.00 32.75 ? 227 PHE H CZ 1 ATOM 12317 N N . TYR H 4 213 ? 26.435 -16.750 -33.110 1.00 29.86 ? 228 TYR H N 1 ATOM 12318 C CA . TYR H 4 213 ? 25.763 -15.947 -32.096 1.00 30.39 ? 228 TYR H CA 1 ATOM 12319 C C . TYR H 4 213 ? 26.544 -14.660 -31.895 1.00 36.37 ? 228 TYR H C 1 ATOM 12320 O O . TYR H 4 213 ? 27.733 -14.695 -31.573 1.00 34.95 ? 228 TYR H O 1 ATOM 12321 C CB . TYR H 4 213 ? 25.609 -16.724 -30.781 1.00 30.66 ? 228 TYR H CB 1 ATOM 12322 C CG . TYR H 4 213 ? 24.633 -17.873 -30.879 1.00 32.49 ? 228 TYR H CG 1 ATOM 12323 C CD1 . TYR H 4 213 ? 23.265 -17.667 -30.720 1.00 34.81 ? 228 TYR H CD1 1 ATOM 12324 C CD2 . TYR H 4 213 ? 25.073 -19.167 -31.138 1.00 33.27 ? 228 TYR H CD2 1 ATOM 12325 C CE1 . TYR H 4 213 ? 22.357 -18.718 -30.823 1.00 35.64 ? 228 TYR H CE1 1 ATOM 12326 C CE2 . TYR H 4 213 ? 24.175 -20.230 -31.228 1.00 34.79 ? 228 TYR H CE2 1 ATOM 12327 C CZ . TYR H 4 213 ? 22.816 -19.997 -31.078 1.00 41.45 ? 228 TYR H CZ 1 ATOM 12328 O OH . TYR H 4 213 ? 21.921 -21.033 -31.170 1.00 42.71 ? 228 TYR H OH 1 ATOM 12329 N N . GLY H 4 214 ? 25.886 -13.555 -32.155 1.00 36.19 ? 229 GLY H N 1 ATOM 12330 C CA . GLY H 4 214 ? 26.490 -12.264 -32.035 1.00 37.65 ? 229 GLY H CA 1 ATOM 12331 C C . GLY H 4 214 ? 25.630 -11.235 -31.347 1.00 45.89 ? 229 GLY H C 1 ATOM 12332 O O . GLY H 4 214 ? 25.137 -11.458 -30.284 1.00 44.81 ? 229 GLY H O 1 ATOM 12333 N N . LEU H 4 215 ? 25.476 -10.092 -31.975 1.00 47.10 ? 230 LEU H N 1 ATOM 12334 C CA . LEU H 4 215 ? 24.667 -8.999 -31.468 1.00 49.46 ? 230 LEU H CA 1 ATOM 12335 C C . LEU H 4 215 ? 23.153 -9.185 -31.566 1.00 57.93 ? 230 LEU H C 1 ATOM 12336 O O . LEU H 4 215 ? 22.669 -9.974 -32.351 1.00 57.53 ? 230 LEU H O 1 ATOM 12337 C CB . LEU H 4 215 ? 25.071 -7.694 -32.145 1.00 50.50 ? 230 LEU H CB 1 ATOM 12338 C CG . LEU H 4 215 ? 26.523 -7.283 -31.981 1.00 54.62 ? 230 LEU H CG 1 ATOM 12339 C CD1 . LEU H 4 215 ? 26.734 -5.839 -32.343 1.00 55.80 ? 230 LEU H CD1 1 ATOM 12340 C CD2 . LEU H 4 215 ? 26.993 -7.547 -30.572 1.00 56.15 ? 230 LEU H CD2 1 ATOM 12341 N N . SER H 4 216 ? 22.434 -8.449 -30.719 1.00 58.09 ? 231 SER H N 1 ATOM 12342 C CA . SER H 4 216 ? 20.958 -8.454 -30.656 1.00 59.86 ? 231 SER H CA 1 ATOM 12343 C C . SER H 4 216 ? 20.273 -7.327 -31.372 1.00 68.48 ? 231 SER H C 1 ATOM 12344 O O . SER H 4 216 ? 20.905 -6.496 -31.973 1.00 68.50 ? 231 SER H O 1 ATOM 12345 C CB . SER H 4 216 ? 20.447 -8.468 -29.233 1.00 62.02 ? 231 SER H CB 1 ATOM 12346 O OG . SER H 4 216 ? 21.202 -9.347 -28.449 1.00 68.44 ? 231 SER H OG 1 ATOM 12347 N N . GLU H 4 217 ? 18.952 -7.317 -31.299 1.00 68.22 ? 232 GLU H N 1 ATOM 12348 C CA . GLU H 4 217 ? 18.170 -6.265 -31.915 1.00 70.45 ? 232 GLU H CA 1 ATOM 12349 C C . GLU H 4 217 ? 18.549 -4.925 -31.297 1.00 76.30 ? 232 GLU H C 1 ATOM 12350 O O . GLU H 4 217 ? 18.766 -3.919 -31.998 1.00 77.01 ? 232 GLU H O 1 ATOM 12351 C CB . GLU H 4 217 ? 16.695 -6.518 -31.653 1.00 72.41 ? 232 GLU H CB 1 ATOM 12352 N N . ASN H 4 218 ? 18.679 -4.921 -29.987 1.00 72.89 ? 233 ASN H N 1 ATOM 12353 C CA . ASN H 4 218 ? 18.971 -3.691 -29.312 1.00 73.68 ? 233 ASN H CA 1 ATOM 12354 C C . ASN H 4 218 ? 20.269 -3.067 -29.662 1.00 78.85 ? 233 ASN H C 1 ATOM 12355 O O . ASN H 4 218 ? 20.306 -1.875 -29.877 1.00 79.97 ? 233 ASN H O 1 ATOM 12356 C CB . ASN H 4 218 ? 19.091 -3.957 -27.830 1.00 73.90 ? 233 ASN H CB 1 ATOM 12357 C CG . ASN H 4 218 ? 20.120 -4.993 -27.538 1.00 95.33 ? 233 ASN H CG 1 ATOM 12358 O OD1 . ASN H 4 218 ? 20.259 -5.926 -28.297 1.00 90.21 ? 233 ASN H OD1 1 ATOM 12359 N ND2 . ASN H 4 218 ? 20.830 -4.852 -26.434 1.00 85.57 ? 233 ASN H ND2 1 ATOM 12360 N N . ASP H 4 219 ? 21.344 -3.857 -29.697 1.00 74.52 ? 234 ASP H N 1 ATOM 12361 C CA . ASP H 4 219 ? 22.690 -3.277 -29.587 1.00 73.88 ? 234 ASP H CA 1 ATOM 12362 C C . ASP H 4 219 ? 23.012 -2.390 -30.748 1.00 78.08 ? 234 ASP H C 1 ATOM 12363 O O . ASP H 4 219 ? 22.693 -2.694 -31.883 1.00 78.09 ? 234 ASP H O 1 ATOM 12364 C CB . ASP H 4 219 ? 23.806 -4.290 -29.312 1.00 74.16 ? 234 ASP H CB 1 ATOM 12365 C CG . ASP H 4 219 ? 23.339 -5.704 -29.367 1.00 83.00 ? 234 ASP H CG 1 ATOM 12366 O OD1 . ASP H 4 219 ? 22.255 -5.929 -29.888 1.00 84.87 -1 234 ASP H OD1 1 ATOM 12367 O OD2 . ASP H 4 219 ? 24.051 -6.604 -28.899 1.00 86.04 ? 234 ASP H OD2 1 ATOM 12368 N N . GLU H 4 220 ? 23.607 -1.258 -30.416 1.00 74.62 ? 235 GLU H N 1 ATOM 12369 C CA . GLU H 4 220 ? 23.944 -0.225 -31.367 1.00 75.51 ? 235 GLU H CA 1 ATOM 12370 C C . GLU H 4 220 ? 25.130 -0.593 -32.248 1.00 77.75 ? 235 GLU H C 1 ATOM 12371 O O . GLU H 4 220 ? 26.138 -1.098 -31.776 1.00 76.02 ? 235 GLU H O 1 ATOM 12372 C CB . GLU H 4 220 ? 24.284 1.049 -30.604 1.00 77.87 ? 235 GLU H CB 1 ATOM 12373 N N . TRP H 4 221 ? 25.017 -0.305 -33.530 1.00 74.39 ? 236 TRP H N 1 ATOM 12374 C CA . TRP H 4 221 ? 26.120 -0.551 -34.424 1.00 73.54 ? 236 TRP H CA 1 ATOM 12375 C C . TRP H 4 221 ? 26.505 0.724 -35.132 1.00 79.21 ? 236 TRP H C 1 ATOM 12376 O O . TRP H 4 221 ? 25.696 1.330 -35.824 1.00 80.33 ? 236 TRP H O 1 ATOM 12377 C CB . TRP H 4 221 ? 25.751 -1.629 -35.424 1.00 71.59 ? 236 TRP H CB 1 ATOM 12378 C CG . TRP H 4 221 ? 26.890 -2.084 -36.183 1.00 71.79 ? 236 TRP H CG 1 ATOM 12379 C CD1 . TRP H 4 221 ? 27.094 -1.899 -37.489 1.00 75.44 ? 236 TRP H CD1 1 ATOM 12380 C CD2 . TRP H 4 221 ? 28.022 -2.797 -35.691 1.00 70.15 ? 236 TRP H CD2 1 ATOM 12381 N NE1 . TRP H 4 221 ? 28.271 -2.442 -37.859 1.00 73.95 ? 236 TRP H NE1 1 ATOM 12382 C CE2 . TRP H 4 221 ? 28.873 -2.995 -36.767 1.00 73.92 ? 236 TRP H CE2 1 ATOM 12383 C CE3 . TRP H 4 221 ? 28.396 -3.285 -34.441 1.00 70.14 ? 236 TRP H CE3 1 ATOM 12384 C CZ2 . TRP H 4 221 ? 30.068 -3.668 -36.653 1.00 71.99 ? 236 TRP H CZ2 1 ATOM 12385 C CZ3 . TRP H 4 221 ? 29.591 -3.946 -34.329 1.00 70.49 ? 236 TRP H CZ3 1 ATOM 12386 C CH2 . TRP H 4 221 ? 30.409 -4.133 -35.423 1.00 71.13 ? 236 TRP H CH2 1 ATOM 12387 N N . THR H 4 222 ? 27.762 1.110 -34.986 1.00 75.20 ? 237 THR H N 1 ATOM 12388 C CA . THR H 4 222 ? 28.213 2.379 -35.510 1.00 76.20 ? 237 THR H CA 1 ATOM 12389 C C . THR H 4 222 ? 29.397 2.182 -36.423 1.00 78.51 ? 237 THR H C 1 ATOM 12390 O O . THR H 4 222 ? 30.323 2.967 -36.451 1.00 79.30 ? 237 THR H O 1 ATOM 12391 C CB . THR H 4 222 ? 28.605 3.312 -34.377 1.00 84.72 ? 237 THR H CB 1 ATOM 12392 O OG1 . THR H 4 222 ? 29.718 2.754 -33.681 1.00 83.03 ? 237 THR H OG1 1 ATOM 12393 C CG2 . THR H 4 222 ? 27.445 3.460 -33.428 1.00 82.79 ? 237 THR H CG2 1 ATOM 12394 N N . GLN H 4 223 ? 29.352 1.111 -37.170 1.00 72.33 ? 238 GLN H N 1 ATOM 12395 C CA . GLN H 4 223 ? 30.345 0.844 -38.216 1.00 70.94 ? 238 GLN H CA 1 ATOM 12396 C C . GLN H 4 223 ? 29.689 0.820 -39.593 1.00 74.63 ? 238 GLN H C 1 ATOM 12397 O O . GLN H 4 223 ? 28.515 0.459 -39.717 1.00 74.23 ? 238 GLN H O 1 ATOM 12398 C CB . GLN H 4 223 ? 31.106 -0.479 -37.968 1.00 70.12 ? 238 GLN H CB 1 ATOM 12399 C CG . GLN H 4 223 ? 31.800 -0.606 -36.604 1.00 79.86 ? 238 GLN H CG 1 ATOM 12400 C CD . GLN H 4 223 ? 32.981 0.314 -36.411 1.00 95.87 ? 238 GLN H CD 1 ATOM 12401 O OE1 . GLN H 4 223 ? 32.891 1.341 -35.728 1.00 92.11 ? 238 GLN H OE1 1 ATOM 12402 N NE2 . GLN H 4 223 ? 34.127 -0.062 -36.962 1.00 84.80 ? 238 GLN H NE2 1 ATOM 12403 N N . ASP H 4 224 ? 30.461 1.191 -40.631 1.00 71.26 ? 239 ASP H N 1 ATOM 12404 C CA . ASP H 4 224 ? 30.002 1.197 -42.018 1.00 71.73 ? 239 ASP H CA 1 ATOM 12405 C C . ASP H 4 224 ? 30.272 -0.183 -42.657 1.00 72.09 ? 239 ASP H C 1 ATOM 12406 O O . ASP H 4 224 ? 31.055 -0.322 -43.606 1.00 72.01 ? 239 ASP H O 1 ATOM 12407 C CB . ASP H 4 224 ? 30.643 2.353 -42.819 1.00 75.37 ? 239 ASP H CB 1 ATOM 12408 C CG . ASP H 4 224 ? 30.108 3.739 -42.483 1.00 88.94 ? 239 ASP H CG 1 ATOM 12409 O OD1 . ASP H 4 224 ? 28.897 3.855 -42.165 1.00 90.14 ? 239 ASP H OD1 1 ATOM 12410 O OD2 . ASP H 4 224 ? 30.884 4.714 -42.584 1.00 96.14 -1 239 ASP H OD2 1 ATOM 12411 N N . ARG H 4 225 ? 29.611 -1.205 -42.087 1.00 65.04 ? 240 ARG H N 1 ATOM 12412 C CA . ARG H 4 225 ? 29.614 -2.617 -42.477 1.00 62.43 ? 240 ARG H CA 1 ATOM 12413 C C . ARG H 4 225 ? 28.398 -3.292 -41.829 1.00 63.78 ? 240 ARG H C 1 ATOM 12414 O O . ARG H 4 225 ? 27.865 -2.766 -40.846 1.00 63.43 ? 240 ARG H O 1 ATOM 12415 C CB . ARG H 4 225 ? 30.940 -3.330 -42.113 1.00 59.56 ? 240 ARG H CB 1 ATOM 12416 C CG . ARG H 4 225 ? 31.184 -3.578 -40.624 1.00 64.26 ? 240 ARG H CG 1 ATOM 12417 C CD . ARG H 4 225 ? 32.191 -4.693 -40.442 1.00 64.76 ? 240 ARG H CD 1 ATOM 12418 N NE . ARG H 4 225 ? 32.689 -4.779 -39.070 1.00 63.13 ? 240 ARG H NE 1 ATOM 12419 C CZ . ARG H 4 225 ? 32.338 -5.719 -38.196 1.00 69.43 ? 240 ARG H CZ 1 ATOM 12420 N NH1 . ARG H 4 225 ? 32.847 -5.717 -36.973 1.00 53.03 1 240 ARG H NH1 1 ATOM 12421 N NH2 . ARG H 4 225 ? 31.471 -6.665 -38.539 1.00 52.66 ? 240 ARG H NH2 1 ATOM 12422 N N . ALA H 4 226 ? 27.961 -4.422 -42.331 1.00 58.34 ? 241 ALA H N 1 ATOM 12423 C CA . ALA H 4 226 ? 26.798 -5.020 -41.752 1.00 57.37 ? 241 ALA H CA 1 ATOM 12424 C C . ALA H 4 226 ? 26.977 -5.303 -40.278 1.00 58.32 ? 241 ALA H C 1 ATOM 12425 O O . ALA H 4 226 ? 28.054 -5.625 -39.834 1.00 56.77 ? 241 ALA H O 1 ATOM 12426 C CB . ALA H 4 226 ? 26.412 -6.272 -42.501 1.00 58.00 ? 241 ALA H CB 1 ATOM 12427 N N . LYS H 4 227 ? 25.895 -5.187 -39.525 1.00 53.49 ? 242 LYS H N 1 ATOM 12428 C CA . LYS H 4 227 ? 25.892 -5.523 -38.125 1.00 51.34 ? 242 LYS H CA 1 ATOM 12429 C C . LYS H 4 227 ? 26.087 -7.012 -37.980 1.00 52.46 ? 242 LYS H C 1 ATOM 12430 O O . LYS H 4 227 ? 25.403 -7.799 -38.621 1.00 52.25 ? 242 LYS H O 1 ATOM 12431 C CB . LYS H 4 227 ? 24.557 -5.109 -37.523 1.00 54.40 ? 242 LYS H CB 1 ATOM 12432 C CG . LYS H 4 227 ? 24.562 -4.853 -36.034 1.00 63.48 ? 242 LYS H CG 1 ATOM 12433 C CD . LYS H 4 227 ? 23.237 -4.279 -35.564 1.00 70.44 ? 242 LYS H CD 1 ATOM 12434 C CE . LYS H 4 227 ? 22.802 -4.826 -34.224 1.00 73.35 ? 242 LYS H CE 1 ATOM 12435 N NZ . LYS H 4 227 ? 22.225 -3.769 -33.350 1.00 79.72 1 242 LYS H NZ 1 ATOM 12436 N N . PRO H 4 228 ? 27.075 -7.387 -37.054 1.00 46.59 ? 243 PRO H N 1 ATOM 12437 C CA . PRO H 4 228 ? 27.250 -8.841 -36.955 1.00 45.04 ? 243 PRO H CA 1 ATOM 12438 C C . PRO H 4 228 ? 26.337 -9.529 -35.954 1.00 47.26 ? 243 PRO H C 1 ATOM 12439 O O . PRO H 4 228 ? 26.735 -9.965 -34.910 1.00 45.57 ? 243 PRO H O 1 ATOM 12440 C CB . PRO H 4 228 ? 28.715 -9.001 -36.604 1.00 45.72 ? 243 PRO H CB 1 ATOM 12441 C CG . PRO H 4 228 ? 29.057 -7.830 -35.814 1.00 50.37 ? 243 PRO H CG 1 ATOM 12442 C CD . PRO H 4 228 ? 28.108 -6.747 -36.106 1.00 47.24 ? 243 PRO H CD 1 ATOM 12443 N N . VAL H 4 229 ? 25.082 -9.621 -36.336 1.00 43.77 ? 244 VAL H N 1 ATOM 12444 C CA . VAL H 4 229 ? 24.000 -10.179 -35.523 1.00 43.09 ? 244 VAL H CA 1 ATOM 12445 C C . VAL H 4 229 ? 24.028 -11.707 -35.563 1.00 44.86 ? 244 VAL H C 1 ATOM 12446 O O . VAL H 4 229 ? 24.759 -12.299 -36.367 1.00 44.70 ? 244 VAL H O 1 ATOM 12447 C CB . VAL H 4 229 ? 22.599 -9.638 -35.928 1.00 48.53 ? 244 VAL H CB 1 ATOM 12448 C CG1 . VAL H 4 229 ? 22.372 -8.235 -35.385 1.00 49.10 ? 244 VAL H CG1 1 ATOM 12449 C CG2 . VAL H 4 229 ? 22.374 -9.691 -37.441 1.00 49.32 ? 244 VAL H CG2 1 ATOM 12450 N N . THR H 4 230 ? 23.227 -12.338 -34.687 1.00 39.75 ? 245 THR H N 1 ATOM 12451 C CA . THR H 4 230 ? 23.064 -13.784 -34.624 1.00 38.59 ? 245 THR H CA 1 ATOM 12452 C C . THR H 4 230 ? 22.457 -14.203 -35.969 1.00 43.66 ? 245 THR H C 1 ATOM 12453 O O . THR H 4 230 ? 21.348 -13.790 -36.310 1.00 45.33 ? 245 THR H O 1 ATOM 12454 C CB . THR H 4 230 ? 22.253 -14.157 -33.386 1.00 41.12 ? 245 THR H CB 1 ATOM 12455 O OG1 . THR H 4 230 ? 23.053 -13.855 -32.242 1.00 37.85 ? 245 THR H OG1 1 ATOM 12456 C CG2 . THR H 4 230 ? 21.844 -15.626 -33.359 1.00 37.83 ? 245 THR H CG2 1 ATOM 12457 N N . GLN H 4 231 ? 23.250 -14.928 -36.767 1.00 38.73 ? 246 GLN H N 1 ATOM 12458 C CA . GLN H 4 231 ? 22.887 -15.331 -38.121 1.00 38.93 ? 246 GLN H CA 1 ATOM 12459 C C . GLN H 4 231 ? 23.387 -16.732 -38.472 1.00 42.80 ? 246 GLN H C 1 ATOM 12460 O O . GLN H 4 231 ? 24.352 -17.226 -37.882 1.00 41.78 ? 246 GLN H O 1 ATOM 12461 C CB . GLN H 4 231 ? 23.455 -14.313 -39.138 1.00 40.42 ? 246 GLN H CB 1 ATOM 12462 C CG . GLN H 4 231 ? 24.989 -14.220 -39.168 1.00 39.94 ? 246 GLN H CG 1 ATOM 12463 C CD . GLN H 4 231 ? 25.484 -13.196 -40.147 1.00 58.77 ? 246 GLN H CD 1 ATOM 12464 O OE1 . GLN H 4 231 ? 25.844 -13.510 -41.286 1.00 57.94 ? 246 GLN H OE1 1 ATOM 12465 N NE2 . GLN H 4 231 ? 25.536 -11.947 -39.719 1.00 47.43 ? 246 GLN H NE2 1 ATOM 12466 N N . ILE H 4 232 ? 22.746 -17.340 -39.478 1.00 40.63 ? 247 ILE H N 1 ATOM 12467 C CA . ILE H 4 232 ? 23.102 -18.650 -40.012 1.00 40.54 ? 247 ILE H CA 1 ATOM 12468 C C . ILE H 4 232 ? 23.870 -18.424 -41.318 1.00 43.99 ? 247 ILE H C 1 ATOM 12469 O O . ILE H 4 232 ? 23.362 -17.767 -42.235 1.00 44.76 ? 247 ILE H O 1 ATOM 12470 C CB . ILE H 4 232 ? 21.833 -19.548 -40.185 1.00 45.02 ? 247 ILE H CB 1 ATOM 12471 C CG1 . ILE H 4 232 ? 21.418 -20.179 -38.835 1.00 44.72 ? 247 ILE H CG1 1 ATOM 12472 C CG2 . ILE H 4 232 ? 22.024 -20.630 -41.273 1.00 46.84 ? 247 ILE H CG2 1 ATOM 12473 C CD1 . ILE H 4 232 ? 19.951 -20.641 -38.745 1.00 54.32 ? 247 ILE H CD1 1 ATOM 12474 N N . VAL H 4 233 ? 25.116 -18.929 -41.375 1.00 39.27 ? 248 VAL H N 1 ATOM 12475 C CA . VAL H 4 233 ? 25.950 -18.849 -42.579 1.00 38.91 ? 248 VAL H CA 1 ATOM 12476 C C . VAL H 4 233 ? 26.167 -20.290 -43.046 1.00 42.72 ? 248 VAL H C 1 ATOM 12477 O O . VAL H 4 233 ? 26.543 -21.154 -42.250 1.00 40.98 ? 248 VAL H O 1 ATOM 12478 C CB . VAL H 4 233 ? 27.271 -18.044 -42.409 1.00 41.53 ? 248 VAL H CB 1 ATOM 12479 C CG1 . VAL H 4 233 ? 27.958 -17.832 -43.757 1.00 41.87 ? 248 VAL H CG1 1 ATOM 12480 C CG2 . VAL H 4 233 ? 27.015 -16.696 -41.738 1.00 41.06 ? 248 VAL H CG2 1 ATOM 12481 N N . SER H 4 234 ? 25.846 -20.556 -44.317 1.00 41.42 ? 249 SER H N 1 ATOM 12482 C CA . SER H 4 234 ? 25.933 -21.898 -44.886 1.00 41.81 ? 249 SER H CA 1 ATOM 12483 C C . SER H 4 234 ? 26.743 -21.967 -46.186 1.00 45.61 ? 249 SER H C 1 ATOM 12484 O O . SER H 4 234 ? 26.998 -20.956 -46.841 1.00 44.99 ? 249 SER H O 1 ATOM 12485 C CB . SER H 4 234 ? 24.531 -22.448 -45.139 1.00 46.91 ? 249 SER H CB 1 ATOM 12486 O OG . SER H 4 234 ? 23.782 -22.549 -43.939 1.00 56.73 ? 249 SER H OG 1 ATOM 12487 N N . ALA H 4 235 ? 27.166 -23.192 -46.516 1.00 42.68 ? 250 ALA H N 1 ATOM 12488 C CA . ALA H 4 235 ? 27.866 -23.602 -47.733 1.00 43.37 ? 250 ALA H CA 1 ATOM 12489 C C . ALA H 4 235 ? 27.297 -24.942 -48.161 1.00 49.40 ? 250 ALA H C 1 ATOM 12490 O O . ALA H 4 235 ? 27.017 -25.790 -47.303 1.00 48.16 ? 250 ALA H O 1 ATOM 12491 C CB . ALA H 4 235 ? 29.359 -23.700 -47.495 1.00 42.63 ? 250 ALA H CB 1 ATOM 12492 N N . GLU H 4 236 ? 27.069 -25.122 -49.464 1.00 48.66 ? 251 GLU H N 1 ATOM 12493 C CA . GLU H 4 236 ? 26.464 -26.358 -49.951 1.00 50.73 ? 251 GLU H CA 1 ATOM 12494 C C . GLU H 4 236 ? 27.264 -27.003 -51.081 1.00 55.98 ? 251 GLU H C 1 ATOM 12495 O O . GLU H 4 236 ? 28.112 -26.352 -51.700 1.00 54.73 ? 251 GLU H O 1 ATOM 12496 C CB . GLU H 4 236 ? 25.002 -26.125 -50.390 1.00 54.27 ? 251 GLU H CB 1 ATOM 12497 C CG . GLU H 4 236 ? 24.796 -25.002 -51.396 1.00 67.66 ? 251 GLU H CG 1 ATOM 12498 C CD . GLU H 4 236 ? 23.457 -25.015 -52.108 1.00 94.99 ? 251 GLU H CD 1 ATOM 12499 O OE1 . GLU H 4 236 ? 22.412 -24.983 -51.418 1.00 87.84 ? 251 GLU H OE1 1 ATOM 12500 O OE2 . GLU H 4 236 ? 23.455 -25.035 -53.360 1.00 96.45 -1 251 GLU H OE2 1 ATOM 12501 N N . ALA H 4 237 ? 27.001 -28.305 -51.314 1.00 54.95 ? 252 ALA H N 1 ATOM 12502 C CA . ALA H 4 237 ? 27.599 -29.115 -52.377 1.00 56.50 ? 252 ALA H CA 1 ATOM 12503 C C . ALA H 4 237 ? 26.702 -30.294 -52.733 1.00 64.03 ? 252 ALA H C 1 ATOM 12504 O O . ALA H 4 237 ? 26.264 -31.041 -51.848 1.00 63.87 ? 252 ALA H O 1 ATOM 12505 C CB . ALA H 4 237 ? 28.980 -29.615 -51.972 1.00 55.63 ? 252 ALA H CB 1 ATOM 12506 N N . TRP H 4 238 ? 26.410 -30.437 -54.034 1.00 62.91 ? 253 TRP H N 1 ATOM 12507 C CA . TRP H 4 238 ? 25.646 -31.554 -54.570 1.00 65.49 ? 253 TRP H CA 1 ATOM 12508 C C . TRP H 4 238 ? 26.618 -32.667 -54.904 1.00 69.86 ? 253 TRP H C 1 ATOM 12509 O O . TRP H 4 238 ? 27.762 -32.382 -55.271 1.00 68.43 ? 253 TRP H O 1 ATOM 12510 C CB . TRP H 4 238 ? 24.852 -31.128 -55.816 1.00 66.67 ? 253 TRP H CB 1 ATOM 12511 C CG . TRP H 4 238 ? 23.623 -30.326 -55.507 1.00 68.47 ? 253 TRP H CG 1 ATOM 12512 C CD1 . TRP H 4 238 ? 23.535 -28.969 -55.399 1.00 70.39 ? 253 TRP H CD1 1 ATOM 12513 C CD2 . TRP H 4 238 ? 22.309 -30.837 -55.250 1.00 70.25 ? 253 TRP H CD2 1 ATOM 12514 N NE1 . TRP H 4 238 ? 22.245 -28.600 -55.100 1.00 70.95 ? 253 TRP H NE1 1 ATOM 12515 C CE2 . TRP H 4 238 ? 21.467 -29.727 -55.014 1.00 74.22 ? 253 TRP H CE2 1 ATOM 12516 C CE3 . TRP H 4 238 ? 21.754 -32.128 -55.212 1.00 73.41 ? 253 TRP H CE3 1 ATOM 12517 C CZ2 . TRP H 4 238 ? 20.104 -29.869 -54.722 1.00 75.23 ? 253 TRP H CZ2 1 ATOM 12518 C CZ3 . TRP H 4 238 ? 20.401 -32.267 -54.938 1.00 76.65 ? 253 TRP H CZ3 1 ATOM 12519 C CH2 . TRP H 4 238 ? 19.590 -31.148 -54.698 1.00 77.15 ? 253 TRP H CH2 1 ATOM 12520 N N . GLY H 4 239 ? 26.170 -33.912 -54.768 1.00 68.35 ? 254 GLY H N 1 ATOM 12521 C CA . GLY H 4 239 ? 26.969 -35.093 -55.077 1.00 69.08 ? 254 GLY H CA 1 ATOM 12522 C C . GLY H 4 239 ? 27.483 -35.118 -56.507 1.00 74.84 ? 254 GLY H C 1 ATOM 12523 O O . GLY H 4 239 ? 26.746 -34.775 -57.438 1.00 76.19 ? 254 GLY H O 1 ATOM 12524 N N . ARG H 4 240 ? 28.767 -35.490 -56.685 1.00 70.81 ? 255 ARG H N 1 ATOM 12525 C CA . ARG H 4 240 ? 29.431 -35.537 -57.989 1.00 71.68 ? 255 ARG H CA 1 ATOM 12526 C C . ARG H 4 240 ? 29.740 -36.973 -58.428 1.00 77.61 ? 255 ARG H C 1 ATOM 12527 O O . ARG H 4 240 ? 30.254 -37.763 -57.631 1.00 76.76 ? 255 ARG H O 1 ATOM 12528 C CB . ARG H 4 240 ? 30.731 -34.713 -57.964 1.00 69.89 ? 255 ARG H CB 1 ATOM 12529 C CG . ARG H 4 240 ? 30.535 -33.235 -58.280 1.00 81.80 ? 255 ARG H CG 1 ATOM 12530 C CD . ARG H 4 240 ? 31.780 -32.641 -58.917 1.00 94.99 ? 255 ARG H CD 1 ATOM 12531 N NE . ARG H 4 240 ? 31.533 -31.317 -59.496 1.00 107.76 ? 255 ARG H NE 1 ATOM 12532 C CZ . ARG H 4 240 ? 31.180 -31.101 -60.762 1.00 125.57 ? 255 ARG H CZ 1 ATOM 12533 N NH1 . ARG H 4 240 ? 31.020 -32.119 -61.598 1.00 114.59 1 255 ARG H NH1 1 ATOM 12534 N NH2 . ARG H 4 240 ? 30.980 -29.864 -61.199 1.00 113.97 ? 255 ARG H NH2 1 ATOM 12535 N N . ALA H 4 241 ? 29.457 -37.289 -59.711 1.00 76.32 ? 256 ALA H N 1 ATOM 12536 C CA . ALA H 4 241 ? 29.701 -38.598 -60.329 1.00 98.47 ? 256 ALA H CA 1 ATOM 12537 C C . ALA H 4 241 ? 30.784 -38.503 -61.401 1.00 117.14 ? 256 ALA H C 1 ATOM 12538 O O . ALA H 4 241 ? 31.967 -38.641 -61.100 1.00 74.09 ? 256 ALA H O 1 ATOM 12539 C CB . ALA H 4 241 ? 28.418 -39.140 -60.936 1.00 102.39 ? 256 ALA H CB 1 ATOM 12540 N N . ALA I 5 1 ? 43.475 -0.658 -100.556 1.00 69.33 ? -4 ALA I N 1 ATOM 12541 C CA . ALA I 5 1 ? 42.385 -0.205 -101.420 1.00 65.13 ? -4 ALA I CA 1 ATOM 12542 C C . ALA I 5 1 ? 41.055 -0.932 -101.100 1.00 63.53 ? -4 ALA I C 1 ATOM 12543 O O . ALA I 5 1 ? 41.078 -2.145 -100.871 1.00 62.47 ? -4 ALA I O 1 ATOM 12544 C CB . ALA I 5 1 ? 42.756 -0.412 -102.882 1.00 65.00 ? -4 ALA I CB 1 ATOM 12545 N N . PRO I 5 2 ? 39.888 -0.229 -101.093 1.00 55.79 ? -3 PRO I N 1 ATOM 12546 C CA . PRO I 5 2 ? 38.622 -0.916 -100.777 1.00 50.95 ? -3 PRO I CA 1 ATOM 12547 C C . PRO I 5 2 ? 38.040 -1.672 -101.964 1.00 49.31 ? -3 PRO I C 1 ATOM 12548 O O . PRO I 5 2 ? 38.109 -1.200 -103.104 1.00 48.32 ? -3 PRO I O 1 ATOM 12549 C CB . PRO I 5 2 ? 37.675 0.225 -100.353 1.00 52.14 ? -3 PRO I CB 1 ATOM 12550 C CG . PRO I 5 2 ? 38.469 1.505 -100.472 1.00 60.15 ? -3 PRO I CG 1 ATOM 12551 C CD . PRO I 5 2 ? 39.664 1.212 -101.326 1.00 57.68 ? -3 PRO I CD 1 ATOM 12552 N N . SER I 5 3 ? 37.442 -2.838 -101.693 1.00 42.03 ? -2 SER I N 1 ATOM 12553 C CA . SER I 5 3 ? 36.779 -3.634 -102.723 1.00 37.53 ? -2 SER I CA 1 ATOM 12554 C C . SER I 5 3 ? 35.359 -3.078 -102.945 1.00 35.78 ? -2 SER I C 1 ATOM 12555 O O . SER I 5 3 ? 34.721 -2.616 -101.989 1.00 35.37 ? -2 SER I O 1 ATOM 12556 C CB . SER I 5 3 ? 36.753 -5.106 -102.326 1.00 40.88 ? -2 SER I CB 1 ATOM 12557 O OG . SER I 5 3 ? 36.316 -5.930 -103.395 1.00 50.38 ? -2 SER I OG 1 ATOM 12558 N N . GLY I 5 4 ? 34.906 -3.070 -104.197 1.00 28.76 ? -1 GLY I N 1 ATOM 12559 C CA . GLY I 5 4 ? 33.596 -2.536 -104.550 1.00 25.71 ? -1 GLY I CA 1 ATOM 12560 C C . GLY I 5 4 ? 32.437 -3.385 -104.071 1.00 25.10 ? -1 GLY I C 1 ATOM 12561 O O . GLY I 5 4 ? 32.426 -4.588 -104.321 1.00 23.83 ? -1 GLY I O 1 ATOM 12562 N N . GLU I 5 5 ? 31.443 -2.761 -103.400 1.00 21.36 ? 1 GLU I N 1 ATOM 12563 C CA . GLU I 5 5 ? 30.240 -3.439 -102.909 1.00 19.05 ? 1 GLU I CA 1 ATOM 12564 C C . GLU I 5 5 ? 29.368 -3.923 -104.041 1.00 18.50 ? 1 GLU I C 1 ATOM 12565 O O . GLU I 5 5 ? 29.081 -3.162 -104.968 1.00 18.57 ? 1 GLU I O 1 ATOM 12566 C CB . GLU I 5 5 ? 29.371 -2.517 -102.023 1.00 20.13 ? 1 GLU I CB 1 ATOM 12567 C CG . GLU I 5 5 ? 29.963 -2.139 -100.679 1.00 35.33 ? 1 GLU I CG 1 ATOM 12568 C CD . GLU I 5 5 ? 30.347 -3.289 -99.775 1.00 59.61 ? 1 GLU I CD 1 ATOM 12569 O OE1 . GLU I 5 5 ? 29.529 -4.219 -99.592 1.00 56.95 ? 1 GLU I OE1 1 ATOM 12570 O OE2 . GLU I 5 5 ? 31.495 -3.277 -99.285 1.00 58.28 -1 1 GLU I OE2 1 ATOM 12571 N N . GLY I 5 6 ? 28.917 -5.165 -103.925 1.00 14.04 ? 2 GLY I N 1 ATOM 12572 C CA . GLY I 5 6 ? 27.966 -5.763 -104.846 1.00 12.74 ? 2 GLY I CA 1 ATOM 12573 C C . GLY I 5 6 ? 26.587 -5.259 -104.485 1.00 13.04 ? 2 GLY I C 1 ATOM 12574 O O . GLY I 5 6 ? 26.342 -4.849 -103.336 1.00 12.62 ? 2 GLY I O 1 ATOM 12575 N N . SER I 5 7 ? 25.688 -5.231 -105.461 1.00 11.04 ? 3 SER I N 1 ATOM 12576 C CA . SER I 5 7 ? 24.325 -4.779 -105.219 1.00 10.01 ? 3 SER I CA 1 ATOM 12577 C C . SER I 5 7 ? 23.392 -5.454 -106.150 1.00 10.89 ? 3 SER I C 1 ATOM 12578 O O . SER I 5 7 ? 23.715 -5.661 -107.314 1.00 10.84 ? 3 SER I O 1 ATOM 12579 C CB . SER I 5 7 ? 24.186 -3.254 -105.335 1.00 10.67 ? 3 SER I CB 1 ATOM 12580 O OG . SER I 5 7 ? 24.422 -2.718 -106.628 1.00 13.84 ? 3 SER I OG 1 ATOM 12581 N N . PHE I 5 8 ? 22.221 -5.803 -105.637 1.00 9.39 ? 4 PHE I N 1 ATOM 12582 C CA . PHE I 5 8 ? 21.185 -6.424 -106.442 1.00 9.19 ? 4 PHE I CA 1 ATOM 12583 C C . PHE I 5 8 ? 20.542 -5.386 -107.340 1.00 10.57 ? 4 PHE I C 1 ATOM 12584 O O . PHE I 5 8 ? 20.323 -4.248 -106.927 1.00 10.06 ? 4 PHE I O 1 ATOM 12585 C CB . PHE I 5 8 ? 20.131 -7.086 -105.556 1.00 9.68 ? 4 PHE I CB 1 ATOM 12586 C CG . PHE I 5 8 ? 20.533 -8.381 -104.894 1.00 10.17 ? 4 PHE I CG 1 ATOM 12587 C CD1 . PHE I 5 8 ? 20.478 -9.582 -105.592 1.00 11.19 ? 4 PHE I CD1 1 ATOM 12588 C CD2 . PHE I 5 8 ? 20.844 -8.418 -103.541 1.00 10.53 ? 4 PHE I CD2 1 ATOM 12589 C CE1 . PHE I 5 8 ? 20.772 -10.784 -104.959 1.00 11.44 ? 4 PHE I CE1 1 ATOM 12590 C CE2 . PHE I 5 8 ? 21.114 -9.625 -102.903 1.00 11.45 ? 4 PHE I CE2 1 ATOM 12591 C CZ . PHE I 5 8 ? 21.086 -10.798 -103.617 1.00 11.07 ? 4 PHE I CZ 1 ATOM 12592 N N . GLN I 5 9 ? 20.271 -5.786 -108.575 1.00 9.80 ? 5 GLN I N 1 ATOM 12593 C CA . GLN I 5 9 ? 19.607 -4.991 -109.604 1.00 9.68 ? 5 GLN I CA 1 ATOM 12594 C C . GLN I 5 9 ? 18.140 -5.336 -109.652 1.00 11.63 ? 5 GLN I C 1 ATOM 12595 O O . GLN I 5 9 ? 17.842 -6.516 -109.817 1.00 11.93 ? 5 GLN I O 1 ATOM 12596 C CB . GLN I 5 9 ? 20.184 -5.328 -110.987 1.00 10.09 ? 5 GLN I CB 1 ATOM 12597 C CG . GLN I 5 9 ? 21.514 -4.763 -111.290 1.00 20.32 ? 5 GLN I CG 1 ATOM 12598 C CD . GLN I 5 9 ? 22.141 -5.519 -112.428 1.00 25.95 ? 5 GLN I CD 1 ATOM 12599 O OE1 . GLN I 5 9 ? 21.575 -5.651 -113.535 1.00 16.68 ? 5 GLN I OE1 1 ATOM 12600 N NE2 . GLN I 5 9 ? 23.354 -5.986 -112.179 1.00 12.45 ? 5 GLN I NE2 1 ATOM 12601 N N . PRO I 5 10 ? 17.187 -4.392 -109.584 1.00 10.08 ? 6 PRO I N 1 ATOM 12602 C CA . PRO I 5 10 ? 15.790 -4.803 -109.775 1.00 10.23 ? 6 PRO I CA 1 ATOM 12603 C C . PRO I 5 10 ? 15.508 -5.138 -111.239 1.00 11.57 ? 6 PRO I C 1 ATOM 12604 O O . PRO I 5 10 ? 15.949 -4.428 -112.154 1.00 11.42 ? 6 PRO I O 1 ATOM 12605 C CB . PRO I 5 10 ? 14.991 -3.577 -109.339 1.00 10.89 ? 6 PRO I CB 1 ATOM 12606 C CG . PRO I 5 10 ? 15.922 -2.419 -109.587 1.00 12.00 ? 6 PRO I CG 1 ATOM 12607 C CD . PRO I 5 10 ? 17.315 -2.927 -109.413 1.00 10.15 ? 6 PRO I CD 1 ATOM 12608 N N . SER I 5 11 ? 14.773 -6.215 -111.461 1.00 10.49 ? 7 SER I N 1 ATOM 12609 C CA . SER I 5 11 ? 14.312 -6.557 -112.801 1.00 10.78 ? 7 SER I CA 1 ATOM 12610 C C . SER I 5 11 ? 13.271 -5.495 -113.226 1.00 12.07 ? 7 SER I C 1 ATOM 12611 O O . SER I 5 11 ? 12.594 -4.901 -112.381 1.00 11.76 ? 7 SER I O 1 ATOM 12612 C CB . SER I 5 11 ? 13.761 -7.977 -112.833 1.00 13.36 ? 7 SER I CB 1 ATOM 12613 O OG . SER I 5 11 ? 14.836 -8.900 -112.765 1.00 19.44 ? 7 SER I OG 1 ATOM 12614 N N . GLN I 5 12 ? 13.218 -5.196 -114.516 1.00 11.08 ? 8 GLN I N 1 ATOM 12615 C CA . GLN I 5 12 ? 12.386 -4.133 -115.054 1.00 11.24 ? 8 GLN I CA 1 ATOM 12616 C C . GLN I 5 12 ? 11.091 -4.673 -115.627 1.00 14.26 ? 8 GLN I C 1 ATOM 12617 O O . GLN I 5 12 ? 11.109 -5.572 -116.465 1.00 14.70 ? 8 GLN I O 1 ATOM 12618 C CB . GLN I 5 12 ? 13.201 -3.365 -116.116 1.00 10.69 ? 8 GLN I CB 1 ATOM 12619 C CG . GLN I 5 12 ? 12.437 -2.341 -116.929 1.00 11.39 ? 8 GLN I CG 1 ATOM 12620 C CD . GLN I 5 12 ? 13.301 -1.807 -118.034 1.00 15.46 ? 8 GLN I CD 1 ATOM 12621 O OE1 . GLN I 5 12 ? 14.035 -0.843 -117.857 1.00 12.37 ? 8 GLN I OE1 1 ATOM 12622 N NE2 . GLN I 5 12 ? 13.248 -2.425 -119.195 1.00 10.44 ? 8 GLN I NE2 1 ATOM 12623 N N . GLU I 5 13 ? 9.961 -4.101 -115.170 1.00 13.93 ? 9 GLU I N 1 ATOM 12624 C CA . GLU I 5 13 ? 8.607 -4.437 -115.631 1.00 15.29 ? 9 GLU I CA 1 ATOM 12625 C C . GLU I 5 13 ? 8.470 -4.105 -117.110 1.00 17.95 ? 9 GLU I C 1 ATOM 12626 O O . GLU I 5 13 ? 9.019 -3.097 -117.566 1.00 17.08 ? 9 GLU I O 1 ATOM 12627 C CB . GLU I 5 13 ? 7.543 -3.663 -114.826 1.00 16.24 ? 9 GLU I CB 1 ATOM 12628 C CG . GLU I 5 13 ? 7.318 -4.170 -113.410 1.00 17.97 ? 9 GLU I CG 1 ATOM 12629 C CD . GLU I 5 13 ? 6.307 -5.289 -113.233 1.00 26.46 ? 9 GLU I CD 1 ATOM 12630 O OE1 . GLU I 5 13 ? 5.793 -5.814 -114.248 1.00 20.52 ? 9 GLU I OE1 1 ATOM 12631 O OE2 . GLU I 5 13 ? 6.034 -5.645 -112.066 1.00 17.79 -1 9 GLU I OE2 1 ATOM 12632 N N . ASN I 5 14 ? 7.742 -4.947 -117.847 1.00 18.85 ? 10 ASN I N 1 ATOM 12633 C CA . ASN I 5 14 ? 7.485 -4.811 -119.273 1.00 20.17 ? 10 ASN I CA 1 ATOM 12634 C C . ASN I 5 14 ? 6.795 -3.471 -119.575 1.00 27.25 ? 10 ASN I C 1 ATOM 12635 O O . ASN I 5 14 ? 5.649 -3.258 -119.159 1.00 28.56 ? 10 ASN I O 1 ATOM 12636 C CB . ASN I 5 14 ? 6.647 -5.983 -119.765 1.00 21.68 ? 10 ASN I CB 1 ATOM 12637 C CG . ASN I 5 14 ? 6.555 -6.135 -121.267 1.00 43.95 ? 10 ASN I CG 1 ATOM 12638 O OD1 . ASN I 5 14 ? 7.000 -5.288 -122.058 1.00 38.94 ? 10 ASN I OD1 1 ATOM 12639 N ND2 . ASN I 5 14 ? 5.940 -7.226 -121.692 1.00 37.17 ? 10 ASN I ND2 1 ATOM 12640 N N . PRO I 5 15 ? 7.494 -2.561 -120.295 1.00 24.74 ? 11 PRO I N 1 ATOM 12641 C CA . PRO I 5 15 ? 6.908 -1.238 -120.588 1.00 26.04 ? 11 PRO I CA 1 ATOM 12642 C C . PRO I 5 15 ? 5.635 -1.285 -121.447 1.00 35.27 ? 11 PRO I C 1 ATOM 12643 O O . PRO I 5 15 ? 4.750 -0.456 -121.248 1.00 36.35 ? 11 PRO I O 1 ATOM 12644 C CB . PRO I 5 15 ? 8.036 -0.500 -121.315 1.00 26.49 ? 11 PRO I CB 1 ATOM 12645 C CG . PRO I 5 15 ? 9.278 -1.252 -120.977 1.00 28.57 ? 11 PRO I CG 1 ATOM 12646 C CD . PRO I 5 15 ? 8.864 -2.670 -120.834 1.00 25.07 ? 11 PRO I CD 1 ATOM 12647 N N . GLN I 5 16 ? 5.536 -2.252 -122.380 1.00 34.56 ? 12 GLN I N 1 ATOM 12648 C CA . GLN I 5 16 ? 4.383 -2.423 -123.268 1.00 60.29 ? 12 GLN I CA 1 ATOM 12649 C C . GLN I 5 16 ? 3.259 -3.178 -122.564 1.00 85.24 ? 12 GLN I C 1 ATOM 12650 O O . GLN I 5 16 ? 3.523 -4.058 -121.747 1.00 45.09 ? 12 GLN I O 1 ATOM 12651 C CB . GLN I 5 16 ? 4.796 -3.159 -124.549 1.00 63.36 ? 12 GLN I CB 1 ATOM 12652 N N . ALA J 5 1 ? 37.936 -26.914 15.115 1.00 76.21 ? -4 ALA J N 1 ATOM 12653 C CA . ALA J 5 1 ? 36.842 -26.243 14.413 1.00 72.74 ? -4 ALA J CA 1 ATOM 12654 C C . ALA J 5 1 ? 35.467 -26.891 14.724 1.00 72.32 ? -4 ALA J C 1 ATOM 12655 O O . ALA J 5 1 ? 35.350 -28.124 14.674 1.00 71.31 ? -4 ALA J O 1 ATOM 12656 C CB . ALA J 5 1 ? 37.097 -26.251 12.911 1.00 72.04 ? -4 ALA J CB 1 ATOM 12657 N N . PRO J 5 2 ? 34.419 -26.083 15.041 1.00 65.39 ? -3 PRO J N 1 ATOM 12658 C CA . PRO J 5 2 ? 33.106 -26.676 15.359 1.00 61.57 ? -3 PRO J CA 1 ATOM 12659 C C . PRO J 5 2 ? 32.463 -27.352 14.155 1.00 59.54 ? -3 PRO J C 1 ATOM 12660 O O . PRO J 5 2 ? 32.543 -26.843 13.033 1.00 58.58 ? -3 PRO J O 1 ATOM 12661 C CB . PRO J 5 2 ? 32.268 -25.478 15.832 1.00 63.09 ? -3 PRO J CB 1 ATOM 12662 C CG . PRO J 5 2 ? 33.256 -24.384 16.115 1.00 71.08 ? -3 PRO J CG 1 ATOM 12663 C CD . PRO J 5 2 ? 34.380 -24.612 15.159 1.00 67.67 ? -3 PRO J CD 1 ATOM 12664 N N . SER J 5 3 ? 31.850 -28.519 14.387 1.00 51.71 ? -2 SER J N 1 ATOM 12665 C CA . SER J 5 3 ? 31.183 -29.274 13.329 1.00 46.90 ? -2 SER J CA 1 ATOM 12666 C C . SER J 5 3 ? 29.759 -28.773 13.118 1.00 43.33 ? -2 SER J C 1 ATOM 12667 O O . SER J 5 3 ? 29.092 -28.329 14.063 1.00 42.40 ? -2 SER J O 1 ATOM 12668 C CB . SER J 5 3 ? 31.190 -30.765 13.636 1.00 50.20 ? -2 SER J CB 1 ATOM 12669 O OG . SER J 5 3 ? 32.521 -31.254 13.628 1.00 63.30 ? -2 SER J OG 1 ATOM 12670 N N . GLY J 5 4 ? 29.332 -28.822 11.861 1.00 34.53 ? -1 GLY J N 1 ATOM 12671 C CA . GLY J 5 4 ? 28.014 -28.377 11.441 1.00 30.63 ? -1 GLY J CA 1 ATOM 12672 C C . GLY J 5 4 ? 26.917 -29.270 11.963 1.00 29.97 ? -1 GLY J C 1 ATOM 12673 O O . GLY J 5 4 ? 26.966 -30.482 11.759 1.00 28.47 ? -1 GLY J O 1 ATOM 12674 N N . GLU J 5 5 ? 25.929 -28.664 12.651 1.00 23.94 ? 1 GLU J N 1 ATOM 12675 C CA . GLU J 5 5 ? 24.744 -29.323 13.201 1.00 21.45 ? 1 GLU J CA 1 ATOM 12676 C C . GLU J 5 5 ? 23.855 -29.833 12.097 1.00 20.43 ? 1 GLU J C 1 ATOM 12677 O O . GLU J 5 5 ? 23.607 -29.108 11.145 1.00 18.78 ? 1 GLU J O 1 ATOM 12678 C CB . GLU J 5 5 ? 23.930 -28.329 14.056 1.00 23.09 ? 1 GLU J CB 1 ATOM 12679 C CG . GLU J 5 5 ? 24.388 -28.213 15.497 1.00 38.10 ? 1 GLU J CG 1 ATOM 12680 C CD . GLU J 5 5 ? 23.757 -29.227 16.425 1.00 58.60 ? 1 GLU J CD 1 ATOM 12681 O OE1 . GLU J 5 5 ? 22.525 -29.161 16.650 1.00 40.54 ? 1 GLU J OE1 1 ATOM 12682 O OE2 . GLU J 5 5 ? 24.506 -30.092 16.932 1.00 56.10 -1 1 GLU J OE2 1 ATOM 12683 N N . GLY J 5 6 ? 23.365 -31.054 12.244 1.00 15.33 ? 2 GLY J N 1 ATOM 12684 C CA . GLY J 5 6 ? 22.417 -31.654 11.314 1.00 13.23 ? 2 GLY J CA 1 ATOM 12685 C C . GLY J 5 6 ? 21.024 -31.136 11.619 1.00 17.67 ? 2 GLY J C 1 ATOM 12686 O O . GLY J 5 6 ? 20.746 -30.722 12.748 1.00 17.88 ? 2 GLY J O 1 ATOM 12687 N N . SER J 5 7 ? 20.150 -31.094 10.624 1.00 14.03 ? 3 SER J N 1 ATOM 12688 C CA . SER J 5 7 ? 18.784 -30.628 10.836 1.00 13.55 ? 3 SER J CA 1 ATOM 12689 C C . SER J 5 7 ? 17.837 -31.326 9.900 1.00 16.41 ? 3 SER J C 1 ATOM 12690 O O . SER J 5 7 ? 18.167 -31.555 8.740 1.00 16.23 ? 3 SER J O 1 ATOM 12691 C CB . SER J 5 7 ? 18.674 -29.112 10.662 1.00 18.19 ? 3 SER J CB 1 ATOM 12692 O OG . SER J 5 7 ? 19.057 -28.684 9.365 1.00 30.06 ? 3 SER J OG 1 ATOM 12693 N N . PHE J 5 8 ? 16.658 -31.663 10.400 1.00 12.60 ? 4 PHE J N 1 ATOM 12694 C CA . PHE J 5 8 ? 15.630 -32.300 9.581 1.00 11.86 ? 4 PHE J CA 1 ATOM 12695 C C . PHE J 5 8 ? 15.001 -31.266 8.677 1.00 16.24 ? 4 PHE J C 1 ATOM 12696 O O . PHE J 5 8 ? 14.872 -30.103 9.064 1.00 15.64 ? 4 PHE J O 1 ATOM 12697 C CB . PHE J 5 8 ? 14.558 -32.977 10.450 1.00 13.01 ? 4 PHE J CB 1 ATOM 12698 C CG . PHE J 5 8 ? 14.995 -34.237 11.154 1.00 14.56 ? 4 PHE J CG 1 ATOM 12699 C CD1 . PHE J 5 8 ? 14.972 -35.463 10.499 1.00 17.84 ? 4 PHE J CD1 1 ATOM 12700 C CD2 . PHE J 5 8 ? 15.370 -34.211 12.494 1.00 16.84 ? 4 PHE J CD2 1 ATOM 12701 C CE1 . PHE J 5 8 ? 15.338 -36.635 11.169 1.00 19.08 ? 4 PHE J CE1 1 ATOM 12702 C CE2 . PHE J 5 8 ? 15.725 -35.383 13.164 1.00 19.49 ? 4 PHE J CE2 1 ATOM 12703 C CZ . PHE J 5 8 ? 15.721 -36.581 12.493 1.00 17.79 ? 4 PHE J CZ 1 ATOM 12704 N N . GLN J 5 9 ? 14.660 -31.682 7.467 1.00 14.05 ? 5 GLN J N 1 ATOM 12705 C CA . GLN J 5 9 ? 14.007 -30.853 6.458 1.00 13.59 ? 5 GLN J CA 1 ATOM 12706 C C . GLN J 5 9 ? 12.560 -31.221 6.369 1.00 17.50 ? 5 GLN J C 1 ATOM 12707 O O . GLN J 5 9 ? 12.272 -32.412 6.230 1.00 17.94 ? 5 GLN J O 1 ATOM 12708 C CB . GLN J 5 9 ? 14.616 -31.077 5.069 1.00 14.84 ? 5 GLN J CB 1 ATOM 12709 C CG . GLN J 5 9 ? 16.063 -30.760 4.899 1.00 30.44 ? 5 GLN J CG 1 ATOM 12710 C CD . GLN J 5 9 ? 16.579 -31.479 3.682 1.00 39.12 ? 5 GLN J CD 1 ATOM 12711 O OE1 . GLN J 5 9 ? 15.993 -31.434 2.588 1.00 31.18 ? 5 GLN J OE1 1 ATOM 12712 N NE2 . GLN J 5 9 ? 17.670 -32.187 3.865 1.00 30.44 ? 5 GLN J NE2 1 ATOM 12713 N N . PRO J 5 10 ? 11.619 -30.263 6.386 1.00 13.28 ? 6 PRO J N 1 ATOM 12714 C CA . PRO J 5 10 ? 10.214 -30.648 6.196 1.00 13.16 ? 6 PRO J CA 1 ATOM 12715 C C . PRO J 5 10 ? 9.911 -30.988 4.740 1.00 18.11 ? 6 PRO J C 1 ATOM 12716 O O . PRO J 5 10 ? 10.355 -30.307 3.805 1.00 18.01 ? 6 PRO J O 1 ATOM 12717 C CB . PRO J 5 10 ? 9.430 -29.415 6.642 1.00 14.98 ? 6 PRO J CB 1 ATOM 12718 C CG . PRO J 5 10 ? 10.397 -28.278 6.511 1.00 19.43 ? 6 PRO J CG 1 ATOM 12719 C CD . PRO J 5 10 ? 11.785 -28.800 6.505 1.00 14.72 ? 6 PRO J CD 1 ATOM 12720 N N . SER J 5 11 ? 9.162 -32.065 4.555 1.00 13.62 ? 7 SER J N 1 ATOM 12721 C CA . SER J 5 11 ? 8.699 -32.460 3.240 1.00 13.29 ? 7 SER J CA 1 ATOM 12722 C C . SER J 5 11 ? 7.632 -31.457 2.811 1.00 17.48 ? 7 SER J C 1 ATOM 12723 O O . SER J 5 11 ? 6.826 -31.006 3.632 1.00 16.85 ? 7 SER J O 1 ATOM 12724 C CB . SER J 5 11 ? 8.194 -33.893 3.252 1.00 17.10 ? 7 SER J CB 1 ATOM 12725 O OG . SER J 5 11 ? 9.302 -34.771 3.378 1.00 28.12 ? 7 SER J OG 1 ATOM 12726 N N . GLN J 5 12 ? 7.708 -31.041 1.552 1.00 14.22 ? 8 GLN J N 1 ATOM 12727 C CA . GLN J 5 12 ? 6.867 -30.021 0.952 1.00 13.79 ? 8 GLN J CA 1 ATOM 12728 C C . GLN J 5 12 ? 5.556 -30.597 0.424 1.00 19.55 ? 8 GLN J C 1 ATOM 12729 O O . GLN J 5 12 ? 5.556 -31.513 -0.397 1.00 20.13 ? 8 GLN J O 1 ATOM 12730 C CB . GLN J 5 12 ? 7.664 -29.335 -0.174 1.00 14.44 ? 8 GLN J CB 1 ATOM 12731 C CG . GLN J 5 12 ? 6.945 -28.197 -0.876 1.00 18.69 ? 8 GLN J CG 1 ATOM 12732 C CD . GLN J 5 12 ? 7.789 -27.653 -1.992 1.00 28.55 ? 8 GLN J CD 1 ATOM 12733 O OE1 . GLN J 5 12 ? 8.623 -26.777 -1.784 1.00 19.30 ? 8 GLN J OE1 1 ATOM 12734 N NE2 . GLN J 5 12 ? 7.604 -28.165 -3.204 1.00 19.01 ? 8 GLN J NE2 1 ATOM 12735 N N . GLU J 5 13 ? 4.437 -30.016 0.876 1.00 16.98 ? 9 GLU J N 1 ATOM 12736 C CA . GLU J 5 13 ? 3.085 -30.362 0.433 1.00 18.63 ? 9 GLU J CA 1 ATOM 12737 C C . GLU J 5 13 ? 2.947 -30.093 -1.071 1.00 26.48 ? 9 GLU J C 1 ATOM 12738 O O . GLU J 5 13 ? 3.570 -29.159 -1.588 1.00 26.35 ? 9 GLU J O 1 ATOM 12739 C CB . GLU J 5 13 ? 2.031 -29.555 1.209 1.00 19.87 ? 9 GLU J CB 1 ATOM 12740 C CG . GLU J 5 13 ? 1.832 -29.998 2.646 1.00 25.10 ? 9 GLU J CG 1 ATOM 12741 C CD . GLU J 5 13 ? 0.851 -31.129 2.881 1.00 35.55 ? 9 GLU J CD 1 ATOM 12742 O OE1 . GLU J 5 13 ? 0.325 -31.690 1.894 1.00 22.74 ? 9 GLU J OE1 1 ATOM 12743 O OE2 . GLU J 5 13 ? 0.619 -31.464 4.062 1.00 19.84 -1 9 GLU J OE2 1 ATOM 12744 N N . ASN J 5 14 ? 2.141 -30.913 -1.762 1.00 25.81 ? 10 ASN J N 1 ATOM 12745 C CA . ASN J 5 14 ? 1.913 -30.808 -3.196 1.00 27.94 ? 10 ASN J CA 1 ATOM 12746 C C . ASN J 5 14 ? 1.237 -29.466 -3.538 1.00 34.23 ? 10 ASN J C 1 ATOM 12747 O O . ASN J 5 14 ? 0.120 -29.213 -3.072 1.00 33.86 ? 10 ASN J O 1 ATOM 12748 C CB . ASN J 5 14 ? 1.078 -31.999 -3.684 1.00 30.83 ? 10 ASN J CB 1 ATOM 12749 C CG . ASN J 5 14 ? 0.901 -32.121 -5.183 1.00 45.59 ? 10 ASN J CG 1 ATOM 12750 O OD1 . ASN J 5 14 ? 1.495 -31.390 -5.988 1.00 32.37 ? 10 ASN J OD1 1 ATOM 12751 N ND2 . ASN J 5 14 ? 0.064 -33.068 -5.588 1.00 39.70 ? 10 ASN J ND2 1 ATOM 12752 N N . PRO J 5 15 ? 1.922 -28.581 -4.321 1.00 32.86 ? 11 PRO J N 1 ATOM 12753 C CA . PRO J 5 15 ? 1.318 -27.278 -4.665 1.00 34.21 ? 11 PRO J CA 1 ATOM 12754 C C . PRO J 5 15 ? 0.121 -27.407 -5.614 1.00 42.42 ? 11 PRO J C 1 ATOM 12755 O O . PRO J 5 15 ? -0.859 -26.675 -5.452 1.00 43.48 ? 11 PRO J O 1 ATOM 12756 C CB . PRO J 5 15 ? 2.473 -26.503 -5.322 1.00 34.83 ? 11 PRO J CB 1 ATOM 12757 C CG . PRO J 5 15 ? 3.716 -27.297 -5.033 1.00 37.18 ? 11 PRO J CG 1 ATOM 12758 C CD . PRO J 5 15 ? 3.265 -28.714 -4.921 1.00 33.50 ? 11 PRO J CD 1 ATOM 12759 N N . GLN J 5 16 ? 0.191 -28.348 -6.581 1.00 40.76 ? 12 GLN J N 1 ATOM 12760 C CA . GLN J 5 16 ? -0.871 -28.596 -7.563 1.00 63.31 ? 12 GLN J CA 1 ATOM 12761 C C . GLN J 5 16 ? -1.759 -29.762 -7.130 1.00 89.46 ? 12 GLN J C 1 ATOM 12762 O O . GLN J 5 16 ? -2.322 -29.740 -6.035 1.00 47.85 ? 12 GLN J O 1 ATOM 12763 C CB . GLN J 5 16 ? -0.268 -28.874 -8.947 1.00 65.73 ? 12 GLN J CB 1 HETATM 12764 C C1 . NAG K 6 . ? 0.406 -8.620 24.441 1.00 84.40 ? 301 NAG A C1 1 HETATM 12765 C C2 . NAG K 6 . ? -1.073 -8.844 24.114 1.00 86.46 ? 301 NAG A C2 1 HETATM 12766 C C3 . NAG K 6 . ? -1.413 -8.052 22.850 1.00 88.98 ? 301 NAG A C3 1 HETATM 12767 C C4 . NAG K 6 . ? -1.039 -6.581 23.019 1.00 91.09 ? 301 NAG A C4 1 HETATM 12768 C C5 . NAG K 6 . ? 0.444 -6.457 23.370 1.00 90.03 ? 301 NAG A C5 1 HETATM 12769 C C6 . NAG K 6 . ? 0.895 -5.039 23.647 1.00 92.36 ? 301 NAG A C6 1 HETATM 12770 C C7 . NAG K 6 . ? -2.227 -10.973 24.630 1.00 83.55 ? 301 NAG A C7 1 HETATM 12771 C C8 . NAG K 6 . ? -2.315 -12.432 24.297 1.00 81.58 ? 301 NAG A C8 1 HETATM 12772 N N2 . NAG K 6 . ? -1.336 -10.262 23.914 1.00 84.48 ? 301 NAG A N2 1 HETATM 12773 O O3 . NAG K 6 . ? -2.800 -8.175 22.555 1.00 90.34 ? 301 NAG A O3 1 HETATM 12774 O O4 . NAG K 6 . ? -1.321 -5.870 21.818 1.00 92.20 ? 301 NAG A O4 1 HETATM 12775 O O5 . NAG K 6 . ? 0.731 -7.229 24.550 1.00 87.59 ? 301 NAG A O5 1 HETATM 12776 O O6 . NAG K 6 . ? 0.404 -4.549 24.889 1.00 94.24 ? 301 NAG A O6 1 HETATM 12777 O O7 . NAG K 6 . ? -2.927 -10.464 25.502 1.00 84.67 ? 301 NAG A O7 1 HETATM 12778 CA CA . CA L 7 . ? 17.256 -18.260 27.261 1.00 75.22 2 302 CA A CA 1 HETATM 12779 C C1 . NAG M 6 . ? 23.460 -52.412 25.221 1.00 82.67 ? 1000 NAG B C1 1 HETATM 12780 C C2 . NAG M 6 . ? 22.779 -53.773 25.374 1.00 85.17 ? 1000 NAG B C2 1 HETATM 12781 C C3 . NAG M 6 . ? 23.856 -54.827 25.637 1.00 86.82 ? 1000 NAG B C3 1 HETATM 12782 C C4 . NAG M 6 . ? 24.891 -54.832 24.514 1.00 86.90 ? 1000 NAG B C4 1 HETATM 12783 C C5 . NAG M 6 . ? 25.438 -53.425 24.274 1.00 85.11 ? 1000 NAG B C5 1 HETATM 12784 C C6 . NAG M 6 . ? 26.298 -53.320 23.034 1.00 85.14 ? 1000 NAG B C6 1 HETATM 12785 C C7 . NAG M 6 . ? 20.508 -54.156 26.261 1.00 87.05 ? 1000 NAG B C7 1 HETATM 12786 C C8 . NAG M 6 . ? 19.644 -54.131 27.486 1.00 87.30 ? 1000 NAG B C8 1 HETATM 12787 N N2 . NAG M 6 . ? 21.786 -53.779 26.437 1.00 85.95 ? 1000 NAG B N2 1 HETATM 12788 O O3 . NAG M 6 . ? 23.253 -56.114 25.733 1.00 88.39 ? 1000 NAG B O3 1 HETATM 12789 O O4 . NAG M 6 . ? 25.960 -55.707 24.859 1.00 88.50 ? 1000 NAG B O4 1 HETATM 12790 O O5 . NAG M 6 . ? 24.356 -52.491 24.106 1.00 83.63 ? 1000 NAG B O5 1 HETATM 12791 O O6 . NAG M 6 . ? 25.551 -53.548 21.843 1.00 85.27 ? 1000 NAG B O6 1 HETATM 12792 O O7 . NAG M 6 . ? 20.071 -54.501 25.165 1.00 87.80 ? 1000 NAG B O7 1 HETATM 12793 C C1 . NAG N 6 . ? 6.066 17.340 -91.496 1.00 73.48 ? 301 NAG C C1 1 HETATM 12794 C C2 . NAG N 6 . ? 4.648 17.022 -91.973 1.00 74.22 ? 301 NAG C C2 1 HETATM 12795 C C3 . NAG N 6 . ? 4.389 17.842 -93.238 1.00 76.51 ? 301 NAG C C3 1 HETATM 12796 C C4 . NAG N 6 . ? 4.626 19.330 -92.979 1.00 79.68 ? 301 NAG C C4 1 HETATM 12797 C C5 . NAG N 6 . ? 6.031 19.562 -92.422 1.00 79.27 ? 301 NAG C C5 1 HETATM 12798 C C6 . NAG N 6 . ? 6.276 20.990 -91.989 1.00 82.37 ? 301 NAG C C6 1 HETATM 12799 C C7 . NAG N 6 . ? 3.747 14.746 -91.621 1.00 69.09 ? 301 NAG C C7 1 HETATM 12800 C C8 . NAG N 6 . ? 3.931 13.297 -91.955 1.00 66.97 ? 301 NAG C C8 1 HETATM 12801 N N2 . NAG N 6 . ? 4.563 15.599 -92.261 1.00 70.69 ? 301 NAG C N2 1 HETATM 12802 O O3 . NAG N 6 . ? 3.053 17.622 -93.681 1.00 77.07 ? 301 NAG C O3 1 HETATM 12803 O O4 . NAG N 6 . ? 4.460 20.063 -94.190 1.00 80.90 ? 301 NAG C O4 1 HETATM 12804 O O5 . NAG N 6 . ? 6.234 18.740 -91.260 1.00 77.14 ? 301 NAG C O5 1 HETATM 12805 O O6 . NAG N 6 . ? 7.546 21.141 -91.364 1.00 82.82 ? 301 NAG C O6 1 HETATM 12806 O O7 . NAG N 6 . ? 2.905 15.125 -90.811 1.00 69.87 ? 301 NAG C O7 1 HETATM 12807 CA CA . CA O 7 . ? 22.661 7.790 -89.039 1.00 65.97 2 302 CA C CA 1 HETATM 12808 C C1 . NAG P 6 . ? 29.277 -26.221 -91.034 1.00 70.15 ? 1000 NAG D C1 1 HETATM 12809 C C2 . NAG P 6 . ? 28.651 -27.599 -90.804 1.00 72.76 ? 1000 NAG D C2 1 HETATM 12810 C C3 . NAG P 6 . ? 29.755 -28.657 -90.746 1.00 74.90 ? 1000 NAG D C3 1 HETATM 12811 C C4 . NAG P 6 . ? 30.655 -28.574 -91.978 1.00 75.50 ? 1000 NAG D C4 1 HETATM 12812 C C5 . NAG P 6 . ? 31.183 -27.152 -92.168 1.00 73.34 ? 1000 NAG D C5 1 HETATM 12813 C C6 . NAG P 6 . ? 31.964 -26.959 -93.450 1.00 73.83 ? 1000 NAG D C6 1 HETATM 12814 C C7 . NAG P 6 . ? 26.589 -27.195 -89.480 1.00 73.83 ? 1000 NAG D C7 1 HETATM 12815 C C8 . NAG P 6 . ? 25.995 -27.221 -88.104 1.00 75.11 ? 1000 NAG D C8 1 HETATM 12816 N N2 . NAG P 6 . ? 27.873 -27.605 -89.573 1.00 73.74 ? 1000 NAG D N2 1 HETATM 12817 O O3 . NAG P 6 . ? 29.176 -29.955 -90.660 1.00 75.69 ? 1000 NAG D O3 1 HETATM 12818 O O4 . NAG P 6 . ? 31.746 -29.477 -91.822 1.00 77.74 ? 1000 NAG D O4 1 HETATM 12819 O O5 . NAG P 6 . ? 30.083 -26.228 -92.214 1.00 70.89 ? 1000 NAG D O5 1 HETATM 12820 O O6 . NAG P 6 . ? 32.442 -25.623 -93.581 1.00 72.77 ? 1000 NAG D O6 1 HETATM 12821 O O7 . NAG P 6 . ? 25.948 -26.807 -90.455 1.00 72.73 ? 1000 NAG D O7 1 HETATM 12822 CA CA . CA Q 7 . ? 51.893 -3.478 -147.250 1.00 66.48 2 301 CA E CA 1 HETATM 12823 CA CA . CA R 7 . ? 45.312 -27.459 -31.308 1.00 118.34 2 301 CA G CA 1 HETATM 12824 O O . HOH S 8 . ? 17.792 -24.563 41.043 1.00 19.53 ? 401 HOH A O 1 HETATM 12825 O O . HOH S 8 . ? 13.296 -19.096 16.587 1.00 7.37 ? 402 HOH A O 1 HETATM 12826 O O . HOH S 8 . ? 18.470 -31.773 28.887 1.00 20.21 ? 403 HOH A O 1 HETATM 12827 O O . HOH S 8 . ? 16.564 -26.772 32.617 1.00 19.56 ? 404 HOH A O 1 HETATM 12828 O O . HOH S 8 . ? 9.412 -31.515 19.798 1.00 30.99 ? 405 HOH A O 1 HETATM 12829 O O . HOH S 8 . ? -2.600 -15.718 23.430 1.00 35.59 ? 406 HOH A O 1 HETATM 12830 O O . HOH S 8 . ? 11.115 -16.731 16.753 1.00 29.49 ? 407 HOH A O 1 HETATM 12831 O O . HOH S 8 . ? -5.304 -27.764 0.043 1.00 15.18 ? 408 HOH A O 1 HETATM 12832 O O . HOH S 8 . ? 2.791 -24.046 35.469 1.00 23.01 ? 409 HOH A O 1 HETATM 12833 O O . HOH S 8 . ? 7.163 -20.422 1.182 1.00 9.11 ? 410 HOH A O 1 HETATM 12834 O O . HOH S 8 . ? 16.754 -12.794 33.716 1.00 39.14 ? 411 HOH A O 1 HETATM 12835 O O . HOH S 8 . ? 5.323 -14.693 6.293 1.00 31.94 ? 412 HOH A O 1 HETATM 12836 O O . HOH S 8 . ? 17.870 -29.077 32.819 1.00 26.79 ? 413 HOH A O 1 HETATM 12837 O O . HOH S 8 . ? 11.762 -17.919 6.230 1.00 14.77 ? 414 HOH A O 1 HETATM 12838 O O . HOH S 8 . ? -6.539 -18.205 18.712 1.00 39.49 ? 415 HOH A O 1 HETATM 12839 O O . HOH S 8 . ? 13.895 -33.058 24.020 1.00 17.19 ? 416 HOH A O 1 HETATM 12840 O O . HOH S 8 . ? 3.848 -7.110 42.374 1.00 31.72 ? 417 HOH A O 1 HETATM 12841 O O . HOH S 8 . ? 2.041 -10.067 30.649 1.00 37.22 ? 418 HOH A O 1 HETATM 12842 O O . HOH S 8 . ? 4.116 -36.361 20.179 1.00 21.41 ? 419 HOH A O 1 HETATM 12843 O O . HOH S 8 . ? 12.876 -4.047 42.238 1.00 51.56 ? 420 HOH A O 1 HETATM 12844 O O . HOH S 8 . ? 23.130 -17.790 6.720 1.00 25.92 ? 421 HOH A O 1 HETATM 12845 O O . HOH S 8 . ? 14.668 -28.936 11.604 1.00 11.81 ? 422 HOH A O 1 HETATM 12846 O O . HOH S 8 . ? 3.000 -33.499 26.730 1.00 25.82 ? 423 HOH A O 1 HETATM 12847 O O . HOH S 8 . ? -2.587 -21.767 26.362 1.00 27.19 ? 424 HOH A O 1 HETATM 12848 O O . HOH S 8 . ? 6.436 -13.185 26.584 1.00 43.31 ? 425 HOH A O 1 HETATM 12849 O O . HOH S 8 . ? 10.653 -29.895 25.400 1.00 27.22 ? 426 HOH A O 1 HETATM 12850 O O . HOH S 8 . ? 10.758 -23.825 17.667 1.00 24.36 ? 427 HOH A O 1 HETATM 12851 O O . HOH S 8 . ? 14.157 -27.044 4.151 1.00 14.90 ? 428 HOH A O 1 HETATM 12852 O O . HOH S 8 . ? -2.908 -33.166 21.113 1.00 32.57 ? 429 HOH A O 1 HETATM 12853 O O . HOH S 8 . ? -1.369 -11.109 12.273 1.00 35.46 ? 430 HOH A O 1 HETATM 12854 O O . HOH S 8 . ? -10.529 -21.046 21.185 1.00 27.87 ? 431 HOH A O 1 HETATM 12855 O O . HOH S 8 . ? 12.082 -32.196 22.231 1.00 8.65 ? 432 HOH A O 1 HETATM 12856 O O . HOH S 8 . ? -10.325 -19.977 18.430 1.00 29.71 ? 433 HOH A O 1 HETATM 12857 O O . HOH S 8 . ? 12.747 -8.743 46.999 1.00 36.38 ? 434 HOH A O 1 HETATM 12858 O O . HOH S 8 . ? 28.296 -20.710 6.841 1.00 44.46 ? 435 HOH A O 1 HETATM 12859 O O . HOH S 8 . ? 1.142 -22.716 -0.364 1.00 15.24 ? 436 HOH A O 1 HETATM 12860 O O . HOH S 8 . ? 13.682 -26.258 29.358 1.00 26.01 ? 437 HOH A O 1 HETATM 12861 O O . HOH S 8 . ? 26.094 -21.419 15.744 1.00 15.95 ? 438 HOH A O 1 HETATM 12862 O O . HOH S 8 . ? 4.291 -14.655 21.996 1.00 29.06 ? 439 HOH A O 1 HETATM 12863 O O . HOH S 8 . ? 4.163 -47.097 24.261 1.00 53.40 ? 440 HOH A O 1 HETATM 12864 O O . HOH S 8 . ? -2.474 -21.181 36.657 1.00 36.09 ? 441 HOH A O 1 HETATM 12865 O O . HOH S 8 . ? 16.962 -28.429 7.204 1.00 19.44 ? 442 HOH A O 1 HETATM 12866 O O . HOH S 8 . ? -2.558 -33.454 27.333 1.00 40.68 ? 443 HOH A O 1 HETATM 12867 O O . HOH S 8 . ? 10.205 -21.024 45.415 1.00 26.20 ? 444 HOH A O 1 HETATM 12868 O O . HOH S 8 . ? -8.127 -19.149 16.526 1.00 13.36 ? 445 HOH A O 1 HETATM 12869 O O . HOH S 8 . ? 19.431 -15.498 47.159 1.00 43.82 ? 446 HOH A O 1 HETATM 12870 O O . HOH S 8 . ? 6.547 -33.260 26.575 1.00 28.89 ? 447 HOH A O 1 HETATM 12871 O O . HOH S 8 . ? 5.071 -16.899 47.723 1.00 46.02 ? 448 HOH A O 1 HETATM 12872 O O . HOH S 8 . ? -6.767 -15.205 34.825 1.00 27.32 ? 449 HOH A O 1 HETATM 12873 O O . HOH S 8 . ? 15.877 -17.831 24.913 1.00 34.73 ? 450 HOH A O 1 HETATM 12874 O O . HOH S 8 . ? -5.780 -26.152 18.285 1.00 32.88 ? 451 HOH A O 1 HETATM 12875 O O . HOH S 8 . ? 12.610 -14.945 15.333 1.00 21.01 ? 452 HOH A O 1 HETATM 12876 O O . HOH S 8 . ? 24.699 -17.288 13.603 1.00 27.75 ? 453 HOH A O 1 HETATM 12877 O O . HOH S 8 . ? 3.156 -21.138 -1.413 1.00 26.54 ? 454 HOH A O 1 HETATM 12878 O O . HOH S 8 . ? -6.466 -30.110 27.061 1.00 34.79 ? 455 HOH A O 1 HETATM 12879 O O . HOH S 8 . ? 26.180 -19.066 26.242 1.00 38.22 ? 456 HOH A O 1 HETATM 12880 O O . HOH S 8 . ? 21.447 -18.392 47.176 1.00 43.47 ? 457 HOH A O 1 HETATM 12881 O O . HOH S 8 . ? -11.990 -24.202 15.598 1.00 32.40 ? 458 HOH A O 1 HETATM 12882 O O . HOH S 8 . ? -12.914 -31.838 5.425 1.00 20.47 ? 459 HOH A O 1 HETATM 12883 O O . HOH S 8 . ? 13.121 -45.574 21.085 1.00 35.54 ? 460 HOH A O 1 HETATM 12884 O O . HOH S 8 . ? -11.006 -18.848 23.859 1.00 26.05 ? 461 HOH A O 1 HETATM 12885 O O . HOH S 8 . ? -1.373 -35.703 17.920 1.00 42.42 ? 462 HOH A O 1 HETATM 12886 O O . HOH S 8 . ? 0.357 -37.325 22.803 1.00 24.75 ? 463 HOH A O 1 HETATM 12887 O O . HOH S 8 . ? -14.105 -24.179 10.334 1.00 24.74 ? 464 HOH A O 1 HETATM 12888 O O . HOH S 8 . ? -9.007 -15.942 33.466 1.00 43.89 ? 465 HOH A O 1 HETATM 12889 O O . HOH S 8 . ? 0.311 -33.919 28.731 1.00 48.32 ? 466 HOH A O 1 HETATM 12890 O O . HOH S 8 . ? 9.107 -33.033 23.484 1.00 27.38 ? 467 HOH A O 1 HETATM 12891 O O . HOH S 8 . ? 6.174 -5.528 32.743 1.00 46.31 ? 468 HOH A O 1 HETATM 12892 O O . HOH S 8 . ? 28.425 -24.655 29.786 1.00 30.83 ? 469 HOH A O 1 HETATM 12893 O O . HOH S 8 . ? 18.742 -14.929 34.445 1.00 44.76 ? 470 HOH A O 1 HETATM 12894 O O . HOH S 8 . ? 9.119 -17.632 5.309 1.00 28.23 ? 471 HOH A O 1 HETATM 12895 O O . HOH S 8 . ? -0.145 -8.991 14.642 1.00 36.99 ? 472 HOH A O 1 HETATM 12896 O O . HOH S 8 . ? -1.072 -35.904 20.793 1.00 33.86 ? 473 HOH A O 1 HETATM 12897 O O . HOH S 8 . ? 20.138 -15.550 31.904 1.00 38.19 ? 474 HOH A O 1 HETATM 12898 O O . HOH S 8 . ? -4.334 -26.003 -2.118 1.00 25.78 ? 475 HOH A O 1 HETATM 12899 O O . HOH S 8 . ? -0.198 -16.949 7.101 1.00 27.65 ? 476 HOH A O 1 HETATM 12900 O O . HOH S 8 . ? 7.366 -35.939 26.717 1.00 47.99 ? 477 HOH A O 1 HETATM 12901 O O . HOH S 8 . ? 5.843 -26.986 38.744 1.00 24.04 ? 478 HOH A O 1 HETATM 12902 O O . HOH S 8 . ? 5.408 -26.783 41.433 1.00 28.36 ? 479 HOH A O 1 HETATM 12903 O O . HOH T 8 . ? 17.882 -33.093 6.527 1.00 7.88 ? 1101 HOH B O 1 HETATM 12904 O O . HOH T 8 . ? 9.975 -35.879 7.068 1.00 14.25 ? 1102 HOH B O 1 HETATM 12905 O O . HOH T 8 . ? 24.889 -34.267 8.297 1.00 20.99 ? 1103 HOH B O 1 HETATM 12906 O O . HOH T 8 . ? 15.906 -44.698 8.289 1.00 38.15 ? 1104 HOH B O 1 HETATM 12907 O O . HOH T 8 . ? 6.465 -30.741 -3.257 1.00 15.86 ? 1105 HOH B O 1 HETATM 12908 O O . HOH T 8 . ? 15.076 -47.158 13.428 1.00 28.29 ? 1106 HOH B O 1 HETATM 12909 O O . HOH T 8 . ? 5.745 -43.457 9.328 1.00 11.79 ? 1107 HOH B O 1 HETATM 12910 O O . HOH T 8 . ? 20.466 -35.196 29.661 1.00 29.08 ? 1108 HOH B O 1 HETATM 12911 O O . HOH T 8 . ? -9.134 -37.877 3.781 1.00 20.83 ? 1109 HOH B O 1 HETATM 12912 O O . HOH T 8 . ? -4.388 -15.149 11.791 1.00 33.95 ? 1110 HOH B O 1 HETATM 12913 O O . HOH T 8 . ? 15.563 -24.707 28.057 1.00 32.66 ? 1111 HOH B O 1 HETATM 12914 O O . HOH T 8 . ? 20.374 -25.466 48.008 1.00 23.49 ? 1112 HOH B O 1 HETATM 12915 O O . HOH T 8 . ? 4.859 -44.856 13.877 1.00 24.09 ? 1113 HOH B O 1 HETATM 12916 O O . HOH T 8 . ? 13.564 -45.989 7.792 1.00 26.09 ? 1114 HOH B O 1 HETATM 12917 O O . HOH T 8 . ? 15.832 -45.345 20.805 1.00 33.71 ? 1115 HOH B O 1 HETATM 12918 O O . HOH T 8 . ? 21.965 -42.855 24.209 1.00 24.47 ? 1116 HOH B O 1 HETATM 12919 O O . HOH T 8 . ? -2.962 -36.728 15.565 1.00 33.84 ? 1117 HOH B O 1 HETATM 12920 O O . HOH T 8 . ? 7.858 -33.008 -2.614 1.00 18.63 ? 1118 HOH B O 1 HETATM 12921 O O . HOH T 8 . ? 4.660 -28.342 20.679 1.00 28.68 ? 1119 HOH B O 1 HETATM 12922 O O . HOH T 8 . ? 25.280 -34.774 31.185 1.00 28.15 ? 1120 HOH B O 1 HETATM 12923 O O . HOH T 8 . ? -9.006 -12.683 14.116 1.00 42.15 ? 1121 HOH B O 1 HETATM 12924 O O . HOH T 8 . ? 14.402 -34.059 -0.578 1.00 19.56 ? 1122 HOH B O 1 HETATM 12925 O O . HOH T 8 . ? 18.346 -43.677 1.755 1.00 30.91 ? 1123 HOH B O 1 HETATM 12926 O O . HOH T 8 . ? -0.679 -43.223 5.160 1.00 29.21 ? 1124 HOH B O 1 HETATM 12927 O O . HOH T 8 . ? 1.577 -44.094 0.633 1.00 29.11 ? 1125 HOH B O 1 HETATM 12928 O O . HOH T 8 . ? 20.438 -34.026 6.436 1.00 11.37 ? 1126 HOH B O 1 HETATM 12929 O O . HOH T 8 . ? 31.434 -37.835 37.684 1.00 24.51 ? 1127 HOH B O 1 HETATM 12930 O O . HOH T 8 . ? 27.509 -39.757 43.539 1.00 32.11 ? 1128 HOH B O 1 HETATM 12931 O O . HOH T 8 . ? 19.567 -37.274 4.577 1.00 29.60 ? 1129 HOH B O 1 HETATM 12932 O O . HOH T 8 . ? 20.651 -47.099 9.725 1.00 34.75 ? 1130 HOH B O 1 HETATM 12933 O O . HOH T 8 . ? 18.921 -48.473 15.843 1.00 26.05 ? 1131 HOH B O 1 HETATM 12934 O O . HOH T 8 . ? -0.542 -44.233 11.323 1.00 23.29 ? 1132 HOH B O 1 HETATM 12935 O O . HOH T 8 . ? 18.006 -50.992 23.257 1.00 40.98 ? 1133 HOH B O 1 HETATM 12936 O O . HOH T 8 . ? 7.413 -32.933 21.208 1.00 24.75 ? 1134 HOH B O 1 HETATM 12937 O O . HOH T 8 . ? -4.330 -32.399 25.336 1.00 30.51 ? 1135 HOH B O 1 HETATM 12938 O O . HOH T 8 . ? -5.781 -29.164 16.790 1.00 25.18 ? 1136 HOH B O 1 HETATM 12939 O O . HOH T 8 . ? 29.274 -31.397 52.309 1.00 39.39 ? 1137 HOH B O 1 HETATM 12940 O O . HOH T 8 . ? 21.451 -40.576 48.834 1.00 35.04 ? 1138 HOH B O 1 HETATM 12941 O O . HOH T 8 . ? 18.905 -35.062 32.260 1.00 43.00 ? 1139 HOH B O 1 HETATM 12942 O O . HOH T 8 . ? -6.864 -28.518 14.335 1.00 35.31 ? 1140 HOH B O 1 HETATM 12943 O O . HOH T 8 . ? 9.430 -27.825 36.399 1.00 26.22 ? 1141 HOH B O 1 HETATM 12944 O O . HOH T 8 . ? 16.238 -45.895 0.506 1.00 29.54 ? 1142 HOH B O 1 HETATM 12945 O O . HOH T 8 . ? 18.339 -22.194 28.155 1.00 44.30 ? 1143 HOH B O 1 HETATM 12946 O O . HOH T 8 . ? -1.932 -42.559 -4.839 1.00 40.10 ? 1144 HOH B O 1 HETATM 12947 O O . HOH T 8 . ? 22.645 -25.252 55.322 1.00 30.85 ? 1145 HOH B O 1 HETATM 12948 O O . HOH T 8 . ? 27.983 -27.349 29.815 1.00 16.82 ? 1146 HOH B O 1 HETATM 12949 O O . HOH T 8 . ? 9.069 -44.664 -3.878 1.00 23.67 ? 1147 HOH B O 1 HETATM 12950 O O . HOH T 8 . ? -1.134 -36.736 -3.644 1.00 34.15 ? 1148 HOH B O 1 HETATM 12951 O O . HOH T 8 . ? 27.403 -47.754 22.767 1.00 47.21 ? 1149 HOH B O 1 HETATM 12952 O O . HOH T 8 . ? 11.454 -37.870 -6.315 1.00 27.50 ? 1150 HOH B O 1 HETATM 12953 O O . HOH T 8 . ? 29.991 -35.722 13.855 1.00 42.69 ? 1151 HOH B O 1 HETATM 12954 O O . HOH T 8 . ? 25.619 -41.247 42.091 1.00 24.17 ? 1152 HOH B O 1 HETATM 12955 O O . HOH T 8 . ? 13.593 -48.206 5.322 1.00 27.72 ? 1153 HOH B O 1 HETATM 12956 O O . HOH T 8 . ? 6.658 -35.495 20.562 1.00 36.37 ? 1154 HOH B O 1 HETATM 12957 O O . HOH T 8 . ? 21.404 -37.501 30.792 1.00 26.14 ? 1155 HOH B O 1 HETATM 12958 O O . HOH T 8 . ? 12.242 -50.362 7.644 1.00 36.53 ? 1156 HOH B O 1 HETATM 12959 O O . HOH T 8 . ? 27.810 -50.605 21.934 1.00 41.35 ? 1157 HOH B O 1 HETATM 12960 O O . HOH T 8 . ? 23.979 -42.949 17.969 1.00 24.71 ? 1158 HOH B O 1 HETATM 12961 O O . HOH T 8 . ? 11.616 -50.067 3.811 1.00 23.40 ? 1159 HOH B O 1 HETATM 12962 O O . HOH T 8 . ? 3.947 -44.344 11.384 1.00 26.48 ? 1160 HOH B O 1 HETATM 12963 O O . HOH U 8 . ? 23.911 -5.759 -86.923 1.00 8.30 ? 401 HOH C O 1 HETATM 12964 O O . HOH U 8 . ? 15.004 -5.764 -96.220 1.00 24.17 ? 402 HOH C O 1 HETATM 12965 O O . HOH U 8 . ? 28.599 8.097 -108.897 1.00 12.23 ? 403 HOH C O 1 HETATM 12966 O O . HOH U 8 . ? 14.923 13.346 -85.993 1.00 34.31 ? 404 HOH C O 1 HETATM 12967 O O . HOH U 8 . ? 1.670 -3.595 -89.564 1.00 24.54 ? 405 HOH C O 1 HETATM 12968 O O . HOH U 8 . ? 18.891 6.967 -99.423 1.00 3.09 ? 406 HOH C O 1 HETATM 12969 O O . HOH U 8 . ? 23.749 1.159 -75.022 1.00 28.62 ? 407 HOH C O 1 HETATM 12970 O O . HOH U 8 . ? 2.919 10.159 -92.736 1.00 20.72 ? 408 HOH C O 1 HETATM 12971 O O . HOH U 8 . ? 16.578 1.924 -98.282 1.00 30.33 ? 409 HOH C O 1 HETATM 12972 O O . HOH U 8 . ? 22.658 13.062 -96.080 1.00 24.52 ? 410 HOH C O 1 HETATM 12973 O O . HOH U 8 . ? 10.652 -12.143 -89.686 1.00 38.23 ? 411 HOH C O 1 HETATM 12974 O O . HOH U 8 . ? 4.912 -3.740 -87.702 1.00 30.00 ? 412 HOH C O 1 HETATM 12975 O O . HOH U 8 . ? 12.307 13.308 -89.222 1.00 22.15 ? 413 HOH C O 1 HETATM 12976 O O . HOH U 8 . ? 19.541 -7.204 -91.922 1.00 13.49 ? 414 HOH C O 1 HETATM 12977 O O . HOH U 8 . ? 31.699 4.338 -100.210 1.00 3.00 ? 415 HOH C O 1 HETATM 12978 O O . HOH U 8 . ? 20.167 -3.052 -104.390 1.00 4.48 ? 416 HOH C O 1 HETATM 12979 O O . HOH U 8 . ? 11.322 10.854 -109.669 1.00 22.43 ? 417 HOH C O 1 HETATM 12980 O O . HOH U 8 . ? 19.814 -1.229 -111.827 1.00 3.00 ? 418 HOH C O 1 HETATM 12981 O O . HOH U 8 . ? 31.406 6.077 -102.595 1.00 23.69 ? 419 HOH C O 1 HETATM 12982 O O . HOH U 8 . ? 10.130 10.000 -96.617 1.00 32.68 ? 420 HOH C O 1 HETATM 12983 O O . HOH U 8 . ? 16.247 -4.187 -90.716 1.00 21.80 ? 421 HOH C O 1 HETATM 12984 O O . HOH U 8 . ? 9.518 -10.778 -95.661 1.00 22.51 ? 422 HOH C O 1 HETATM 12985 O O . HOH U 8 . ? -5.555 1.434 -113.847 1.00 26.32 ? 423 HOH C O 1 HETATM 12986 O O . HOH U 8 . ? 10.219 -2.765 -95.307 1.00 14.97 ? 424 HOH C O 1 HETATM 12987 O O . HOH U 8 . ? 12.657 5.597 -114.758 1.00 3.00 ? 425 HOH C O 1 HETATM 12988 O O . HOH U 8 . ? -0.874 7.481 -97.479 1.00 27.31 ? 426 HOH C O 1 HETATM 12989 O O . HOH U 8 . ? 7.747 16.025 -85.448 1.00 41.25 ? 427 HOH C O 1 HETATM 12990 O O . HOH U 8 . ? 26.138 -9.614 -86.306 1.00 16.87 ? 428 HOH C O 1 HETATM 12991 O O . HOH U 8 . ? 34.091 4.918 -109.562 1.00 42.67 ? 429 HOH C O 1 HETATM 12992 O O . HOH U 8 . ? 27.658 -18.123 -89.322 1.00 16.33 ? 430 HOH C O 1 HETATM 12993 O O . HOH U 8 . ? 23.701 9.629 -85.014 1.00 46.28 ? 431 HOH C O 1 HETATM 12994 O O . HOH U 8 . ? 22.019 -1.456 -83.220 1.00 15.81 ? 432 HOH C O 1 HETATM 12995 O O . HOH U 8 . ? 2.805 4.221 -89.434 1.00 15.18 ? 433 HOH C O 1 HETATM 12996 O O . HOH U 8 . ? 34.138 4.249 -99.010 1.00 23.77 ? 434 HOH C O 1 HETATM 12997 O O . HOH U 8 . ? 19.468 -14.027 -88.223 1.00 40.10 ? 435 HOH C O 1 HETATM 12998 O O . HOH U 8 . ? 15.144 9.275 -93.976 1.00 34.89 ? 436 HOH C O 1 HETATM 12999 O O . HOH U 8 . ? 0.817 3.392 -81.209 1.00 32.58 ? 437 HOH C O 1 HETATM 13000 O O . HOH U 8 . ? 12.362 12.769 -112.246 1.00 37.74 ? 438 HOH C O 1 HETATM 13001 O O . HOH U 8 . ? 1.492 -4.886 -116.477 1.00 17.99 ? 439 HOH C O 1 HETATM 13002 O O . HOH U 8 . ? 8.822 5.132 -74.136 1.00 27.24 ? 440 HOH C O 1 HETATM 13003 O O . HOH U 8 . ? -5.239 4.113 -94.302 1.00 44.79 ? 441 HOH C O 1 HETATM 13004 O O . HOH U 8 . ? 17.522 -6.420 -93.755 1.00 15.65 ? 442 HOH C O 1 HETATM 13005 O O . HOH U 8 . ? 22.138 19.050 -72.886 1.00 22.78 ? 443 HOH C O 1 HETATM 13006 O O . HOH U 8 . ? 30.506 7.823 -95.045 1.00 28.78 ? 444 HOH C O 1 HETATM 13007 O O . HOH U 8 . ? 24.682 10.627 -68.836 1.00 41.53 ? 445 HOH C O 1 HETATM 13008 O O . HOH U 8 . ? 17.885 1.229 -93.918 1.00 8.49 ? 446 HOH C O 1 HETATM 13009 O O . HOH U 8 . ? 6.754 6.361 -110.754 1.00 16.10 ? 447 HOH C O 1 HETATM 13010 O O . HOH U 8 . ? -2.462 6.645 -99.509 1.00 25.76 ? 448 HOH C O 1 HETATM 13011 O O . HOH U 8 . ? -0.383 -0.399 -94.403 1.00 28.23 ? 449 HOH C O 1 HETATM 13012 O O . HOH U 8 . ? 14.952 8.463 -96.546 1.00 25.66 ? 450 HOH C O 1 HETATM 13013 O O . HOH U 8 . ? 18.290 7.829 -96.774 1.00 29.88 ? 451 HOH C O 1 HETATM 13014 O O . HOH U 8 . ? 0.376 -1.941 -116.287 1.00 22.81 ? 452 HOH C O 1 HETATM 13015 O O . HOH U 8 . ? 3.156 -7.559 -95.389 1.00 27.77 ? 453 HOH C O 1 HETATM 13016 O O . HOH U 8 . ? 17.172 7.978 -109.298 1.00 18.19 ? 454 HOH C O 1 HETATM 13017 O O . HOH U 8 . ? 8.609 2.048 -80.565 1.00 22.81 ? 455 HOH C O 1 HETATM 13018 O O . HOH U 8 . ? 7.137 9.204 -110.674 1.00 22.57 ? 456 HOH C O 1 HETATM 13019 O O . HOH U 8 . ? 27.515 8.800 -111.191 1.00 5.67 ? 457 HOH C O 1 HETATM 13020 O O . HOH U 8 . ? 23.015 14.413 -113.500 1.00 30.73 ? 458 HOH C O 1 HETATM 13021 O O . HOH U 8 . ? 4.289 14.976 -104.347 1.00 20.96 ? 459 HOH C O 1 HETATM 13022 O O . HOH U 8 . ? 30.197 8.492 -102.299 1.00 22.13 ? 460 HOH C O 1 HETATM 13023 O O . HOH U 8 . ? 19.997 5.505 -65.661 1.00 31.97 ? 461 HOH C O 1 HETATM 13024 O O . HOH U 8 . ? 29.703 -15.280 -88.214 1.00 46.96 ? 462 HOH C O 1 HETATM 13025 O O . HOH U 8 . ? -6.684 3.215 -102.753 1.00 44.59 ? 463 HOH C O 1 HETATM 13026 O O . HOH U 8 . ? 18.525 10.908 -100.256 1.00 23.36 ? 464 HOH C O 1 HETATM 13027 O O . HOH U 8 . ? -0.456 -0.307 -97.667 1.00 9.15 ? 465 HOH C O 1 HETATM 13028 O O . HOH U 8 . ? 8.919 4.630 -117.626 1.00 27.85 ? 466 HOH C O 1 HETATM 13029 O O . HOH U 8 . ? 12.048 11.574 -91.762 1.00 34.21 ? 467 HOH C O 1 HETATM 13030 O O . HOH U 8 . ? 31.534 6.916 -89.444 1.00 46.28 ? 468 HOH C O 1 HETATM 13031 O O . HOH U 8 . ? 33.127 1.223 -105.480 1.00 28.62 ? 469 HOH C O 1 HETATM 13032 O O . HOH U 8 . ? 29.408 5.903 -85.806 1.00 29.99 ? 470 HOH C O 1 HETATM 13033 O O . HOH U 8 . ? 1.210 -0.886 -119.045 1.00 35.11 ? 471 HOH C O 1 HETATM 13034 O O . HOH U 8 . ? 12.372 -7.690 -89.633 1.00 22.00 ? 472 HOH C O 1 HETATM 13035 O O . HOH U 8 . ? 0.439 12.637 -77.382 1.00 32.22 ? 473 HOH C O 1 HETATM 13036 O O . HOH U 8 . ? 15.881 -21.708 -93.632 1.00 38.12 ? 474 HOH C O 1 HETATM 13037 O O . HOH U 8 . ? 8.812 18.387 -89.032 1.00 59.52 ? 475 HOH C O 1 HETATM 13038 O O . HOH U 8 . ? -5.574 8.945 -88.957 1.00 34.82 ? 476 HOH C O 1 HETATM 13039 O O . HOH U 8 . ? 9.615 11.668 -94.460 1.00 24.00 ? 477 HOH C O 1 HETATM 13040 O O . HOH U 8 . ? 7.918 -0.672 -80.881 1.00 37.64 ? 478 HOH C O 1 HETATM 13041 O O . HOH U 8 . ? 8.681 11.960 -98.209 1.00 37.45 ? 479 HOH C O 1 HETATM 13042 O O . HOH U 8 . ? 3.017 3.784 -78.756 1.00 24.59 ? 480 HOH C O 1 HETATM 13043 O O . HOH U 8 . ? 22.980 -7.558 -84.952 1.00 41.98 ? 481 HOH C O 1 HETATM 13044 O O . HOH U 8 . ? 18.779 9.251 -93.116 1.00 37.56 ? 482 HOH C O 1 HETATM 13045 O O . HOH U 8 . ? 14.276 -6.745 -92.545 1.00 32.05 ? 483 HOH C O 1 HETATM 13046 O O . HOH U 8 . ? -1.251 3.830 -119.671 1.00 18.67 ? 484 HOH C O 1 HETATM 13047 O O . HOH U 8 . ? 18.474 -19.954 -95.150 1.00 33.62 ? 485 HOH C O 1 HETATM 13048 O O . HOH U 8 . ? 10.630 -13.883 -94.265 1.00 42.83 ? 486 HOH C O 1 HETATM 13049 O O . HOH U 8 . ? 32.567 6.718 -92.258 1.00 33.88 ? 487 HOH C O 1 HETATM 13050 O O . HOH U 8 . ? -6.264 2.720 -99.666 1.00 43.44 ? 488 HOH C O 1 HETATM 13051 O O . HOH U 8 . ? 6.563 17.160 -101.961 1.00 55.62 ? 489 HOH C O 1 HETATM 13052 O O . HOH U 8 . ? -0.606 -6.701 -116.693 1.00 17.95 ? 490 HOH C O 1 HETATM 13053 O O . HOH U 8 . ? 5.244 -10.311 -95.735 1.00 39.92 ? 491 HOH C O 1 HETATM 13054 O O . HOH U 8 . ? 20.363 11.434 -92.110 1.00 43.86 ? 492 HOH C O 1 HETATM 13055 O O . HOH U 8 . ? 8.353 -7.638 -89.163 1.00 17.71 ? 493 HOH C O 1 HETATM 13056 O O . HOH U 8 . ? 33.028 -1.280 -89.104 1.00 38.99 ? 494 HOH C O 1 HETATM 13057 O O . HOH U 8 . ? 16.219 -7.241 -90.067 1.00 37.65 ? 495 HOH C O 1 HETATM 13058 O O . HOH U 8 . ? 14.235 8.137 -109.628 1.00 14.70 ? 496 HOH C O 1 HETATM 13059 O O . HOH U 8 . ? 12.503 9.219 -98.028 1.00 26.01 ? 497 HOH C O 1 HETATM 13060 O O . HOH U 8 . ? 10.872 -1.082 -78.049 1.00 44.39 ? 498 HOH C O 1 HETATM 13061 O O . HOH U 8 . ? 3.910 -4.481 -85.262 1.00 32.48 ? 499 HOH C O 1 HETATM 13062 O O . HOH U 8 . ? -2.080 -3.221 -116.619 1.00 32.54 ? 500 HOH C O 1 HETATM 13063 O O . HOH U 8 . ? 27.737 11.540 -112.308 1.00 30.43 ? 501 HOH C O 1 HETATM 13064 O O . HOH U 8 . ? 3.757 16.852 -102.357 1.00 24.29 ? 502 HOH C O 1 HETATM 13065 O O . HOH U 8 . ? 10.495 -7.100 -87.575 1.00 30.26 ? 503 HOH C O 1 HETATM 13066 O O . HOH U 8 . ? -2.768 -8.501 -114.853 1.00 26.86 ? 504 HOH C O 1 HETATM 13067 O O . HOH U 8 . ? 12.904 -0.062 -76.574 1.00 28.03 ? 505 HOH C O 1 HETATM 13068 O O . HOH V 8 . ? 23.495 -7.165 -109.490 1.00 17.11 ? 1101 HOH D O 1 HETATM 13069 O O . HOH V 8 . ? 30.451 -0.367 -73.873 1.00 31.12 ? 1102 HOH D O 1 HETATM 13070 O O . HOH V 8 . ? 21.020 0.963 -87.847 1.00 22.56 ? 1103 HOH D O 1 HETATM 13071 O O . HOH V 8 . ? 29.761 -19.374 -99.867 1.00 14.16 ? 1104 HOH D O 1 HETATM 13072 O O . HOH V 8 . ? 27.514 -17.683 -96.232 1.00 50.90 ? 1105 HOH D O 1 HETATM 13073 O O . HOH V 8 . ? 25.134 -11.454 -111.328 1.00 25.27 ? 1106 HOH D O 1 HETATM 13074 O O . HOH V 8 . ? 15.668 -10.185 -108.861 1.00 3.00 ? 1107 HOH D O 1 HETATM 13075 O O . HOH V 8 . ? 21.312 -19.550 -95.353 1.00 33.58 ? 1108 HOH D O 1 HETATM 13076 O O . HOH V 8 . ? 24.503 -17.370 -114.311 1.00 30.23 ? 1109 HOH D O 1 HETATM 13077 O O . HOH V 8 . ? 40.714 -17.733 -73.504 1.00 27.29 ? 1110 HOH D O 1 HETATM 13078 O O . HOH V 8 . ? 31.919 -15.688 -99.050 1.00 21.38 ? 1111 HOH D O 1 HETATM 13079 O O . HOH V 8 . ? 30.807 -8.896 -107.327 1.00 18.37 ? 1112 HOH D O 1 HETATM 13080 O O . HOH V 8 . ? 27.582 -16.950 -91.751 1.00 19.24 ? 1113 HOH D O 1 HETATM 13081 O O . HOH V 8 . ? 20.485 -20.996 -102.573 1.00 20.68 ? 1114 HOH D O 1 HETATM 13082 O O . HOH V 8 . ? 31.770 -14.341 -105.318 1.00 31.86 ? 1115 HOH D O 1 HETATM 13083 O O . HOH V 8 . ? -1.958 -8.695 -112.122 1.00 11.41 ? 1116 HOH D O 1 HETATM 13084 O O . HOH V 8 . ? -2.997 -8.547 -105.676 1.00 22.43 ? 1117 HOH D O 1 HETATM 13085 O O . HOH V 8 . ? 26.006 -8.150 -109.434 1.00 3.67 ? 1118 HOH D O 1 HETATM 13086 O O . HOH V 8 . ? 20.390 -8.377 -116.170 1.00 10.07 ? 1119 HOH D O 1 HETATM 13087 O O . HOH V 8 . ? 30.754 -8.652 -84.883 1.00 19.30 ? 1120 HOH D O 1 HETATM 13088 O O . HOH V 8 . ? 17.991 -8.993 -108.311 1.00 9.04 ? 1121 HOH D O 1 HETATM 13089 O O . HOH V 8 . ? 36.771 -11.957 -78.426 1.00 25.72 ? 1122 HOH D O 1 HETATM 13090 O O . HOH V 8 . ? 37.892 -15.842 -77.175 1.00 20.43 ? 1123 HOH D O 1 HETATM 13091 O O . HOH V 8 . ? 1.754 10.640 -103.999 1.00 27.23 ? 1124 HOH D O 1 HETATM 13092 O O . HOH V 8 . ? 37.154 -9.932 -69.372 1.00 43.13 ? 1125 HOH D O 1 HETATM 13093 O O . HOH V 8 . ? 22.224 -16.408 -122.514 1.00 26.10 ? 1126 HOH D O 1 HETATM 13094 O O . HOH V 8 . ? 21.182 -11.443 -77.018 1.00 32.96 ? 1127 HOH D O 1 HETATM 13095 O O . HOH V 8 . ? 14.997 -2.573 -79.487 1.00 33.06 ? 1128 HOH D O 1 HETATM 13096 O O . HOH V 8 . ? -2.632 13.413 -102.049 1.00 41.12 ? 1129 HOH D O 1 HETATM 13097 O O . HOH V 8 . ? 17.675 -6.891 -115.670 1.00 29.63 ? 1130 HOH D O 1 HETATM 13098 O O . HOH V 8 . ? 14.187 -18.144 -120.184 1.00 18.05 ? 1131 HOH D O 1 HETATM 13099 O O . HOH V 8 . ? -6.699 10.025 -99.351 1.00 35.45 ? 1132 HOH D O 1 HETATM 13100 O O . HOH V 8 . ? 19.110 -20.188 -108.395 1.00 21.27 ? 1133 HOH D O 1 HETATM 13101 O O . HOH V 8 . ? 11.497 -17.786 -106.515 1.00 8.24 ? 1134 HOH D O 1 HETATM 13102 O O . HOH V 8 . ? 6.760 -17.970 -114.829 1.00 32.29 ? 1135 HOH D O 1 HETATM 13103 O O . HOH V 8 . ? 0.934 -17.219 -103.079 1.00 11.66 ? 1136 HOH D O 1 HETATM 13104 O O . HOH V 8 . ? 10.299 -18.740 -101.797 1.00 21.61 ? 1137 HOH D O 1 HETATM 13105 O O . HOH V 8 . ? 15.338 -15.763 -123.442 1.00 16.56 ? 1138 HOH D O 1 HETATM 13106 O O . HOH V 8 . ? 17.270 -12.847 -122.330 1.00 18.13 ? 1139 HOH D O 1 HETATM 13107 O O . HOH V 8 . ? 33.981 -3.310 -87.614 1.00 37.05 ? 1140 HOH D O 1 HETATM 13108 O O . HOH V 8 . ? 33.561 -1.516 -85.594 1.00 34.63 ? 1141 HOH D O 1 HETATM 13109 O O . HOH V 8 . ? 16.694 -16.072 -126.776 1.00 30.98 ? 1142 HOH D O 1 HETATM 13110 O O . HOH V 8 . ? 21.315 -18.783 -107.550 1.00 23.55 ? 1143 HOH D O 1 HETATM 13111 O O . HOH V 8 . ? 24.904 -9.643 -83.780 1.00 37.00 ? 1144 HOH D O 1 HETATM 13112 O O . HOH V 8 . ? 4.981 -18.091 -104.692 1.00 20.46 ? 1145 HOH D O 1 HETATM 13113 O O . HOH V 8 . ? 7.135 -11.854 -97.217 1.00 32.56 ? 1146 HOH D O 1 HETATM 13114 O O . HOH V 8 . ? 4.831 -17.656 -110.599 1.00 18.00 ? 1147 HOH D O 1 HETATM 13115 O O . HOH V 8 . ? 38.300 -9.574 -72.332 1.00 43.23 ? 1148 HOH D O 1 HETATM 13116 O O . HOH V 8 . ? 35.228 -2.373 -76.442 1.00 37.89 ? 1149 HOH D O 1 HETATM 13117 O O . HOH V 8 . ? 32.835 1.931 -83.456 1.00 28.72 ? 1150 HOH D O 1 HETATM 13118 O O . HOH V 8 . ? 37.631 -11.481 -96.355 1.00 23.86 ? 1151 HOH D O 1 HETATM 13119 O O . HOH V 8 . ? 2.795 -11.052 -100.190 1.00 35.05 ? 1152 HOH D O 1 HETATM 13120 O O . HOH V 8 . ? 13.078 -21.087 -94.954 1.00 33.36 ? 1153 HOH D O 1 HETATM 13121 O O . HOH V 8 . ? 4.318 -9.048 -119.338 1.00 34.59 ? 1154 HOH D O 1 HETATM 13122 O O . HOH V 8 . ? 36.726 -3.485 -89.418 1.00 36.68 ? 1155 HOH D O 1 HETATM 13123 O O . HOH V 8 . ? 16.816 -9.712 -121.305 1.00 28.33 ? 1156 HOH D O 1 HETATM 13124 O O . HOH V 8 . ? 23.887 3.508 -87.844 1.00 47.85 ? 1157 HOH D O 1 HETATM 13125 O O . HOH V 8 . ? 12.875 -7.214 -94.824 1.00 5.97 ? 1158 HOH D O 1 HETATM 13126 O O . HOH V 8 . ? 22.728 1.135 -63.945 1.00 56.41 ? 1159 HOH D O 1 HETATM 13127 O O . HOH V 8 . ? 40.153 -11.454 -79.868 1.00 28.32 ? 1160 HOH D O 1 HETATM 13128 O O . HOH V 8 . ? 3.558 -9.133 -98.393 1.00 17.36 ? 1161 HOH D O 1 HETATM 13129 O O . HOH V 8 . ? -6.267 6.603 -106.543 1.00 33.11 ? 1162 HOH D O 1 HETATM 13130 O O . HOH V 8 . ? 32.798 -21.486 -93.277 1.00 40.43 ? 1163 HOH D O 1 HETATM 13131 O O . HOH V 8 . ? 9.805 -15.287 -97.199 1.00 33.63 ? 1164 HOH D O 1 HETATM 13132 O O . HOH V 8 . ? 14.494 1.710 -58.077 1.00 39.74 ? 1165 HOH D O 1 HETATM 13133 O O . HOH V 8 . ? 24.591 -22.960 -100.496 1.00 41.54 ? 1166 HOH D O 1 HETATM 13134 O O . HOH V 8 . ? 35.698 -3.533 -83.887 1.00 48.60 ? 1167 HOH D O 1 HETATM 13135 O O . HOH V 8 . ? 6.784 -19.439 -112.046 1.00 28.90 ? 1168 HOH D O 1 HETATM 13136 O O . HOH V 8 . ? 36.150 -4.510 -86.607 1.00 33.02 ? 1169 HOH D O 1 HETATM 13137 O O . HOH V 8 . ? 12.024 -9.729 -95.492 1.00 17.11 ? 1170 HOH D O 1 HETATM 13138 O O . HOH V 8 . ? 4.676 -11.719 -119.738 1.00 35.40 ? 1171 HOH D O 1 HETATM 13139 O O . HOH V 8 . ? 16.943 -7.606 -82.121 1.00 41.25 ? 1172 HOH D O 1 HETATM 13140 O O . HOH V 8 . ? 12.119 -20.417 -116.789 1.00 26.20 ? 1173 HOH D O 1 HETATM 13141 O O . HOH V 8 . ? 27.451 -11.712 -85.084 1.00 25.02 ? 1174 HOH D O 1 HETATM 13142 O O . HOH V 8 . ? 20.514 -9.667 -84.693 1.00 19.78 ? 1175 HOH D O 1 HETATM 13143 O O . HOH V 8 . ? 21.398 -22.577 -104.576 1.00 35.27 ? 1176 HOH D O 1 HETATM 13144 O O . HOH V 8 . ? 20.242 -21.797 -110.486 1.00 34.59 ? 1177 HOH D O 1 HETATM 13145 O O . HOH V 8 . ? 33.792 1.427 -85.965 1.00 14.21 ? 1178 HOH D O 1 HETATM 13146 O O . HOH V 8 . ? 4.055 -20.571 -109.623 1.00 42.97 ? 1179 HOH D O 1 HETATM 13147 O O . HOH V 8 . ? 18.497 -9.716 -82.860 1.00 45.55 ? 1180 HOH D O 1 HETATM 13148 O O . HOH V 8 . ? 19.879 -8.449 -45.270 1.00 42.37 ? 1181 HOH D O 1 HETATM 13149 O O . HOH V 8 . ? 14.770 -24.108 -113.448 1.00 24.02 ? 1182 HOH D O 1 HETATM 13150 O O . HOH V 8 . ? 3.736 -17.819 -102.353 1.00 18.78 ? 1183 HOH D O 1 HETATM 13151 O O . HOH V 8 . ? 3.706 -16.559 -112.902 1.00 39.27 ? 1184 HOH D O 1 HETATM 13152 O O . HOH V 8 . ? 9.641 -18.531 -104.420 1.00 24.01 ? 1185 HOH D O 1 HETATM 13153 O O . HOH V 8 . ? 9.702 -21.191 -115.766 1.00 14.29 ? 1186 HOH D O 1 HETATM 13154 O O . HOH V 8 . ? 18.826 -13.165 -124.538 1.00 28.03 ? 1187 HOH D O 1 HETATM 13155 O O . HOH V 8 . ? 2.137 -17.395 -110.841 1.00 34.25 ? 1188 HOH D O 1 HETATM 13156 O O . HOH V 8 . ? 22.341 -14.899 -81.834 1.00 41.64 ? 1189 HOH D O 1 HETATM 13157 O O . HOH V 8 . ? 20.660 -5.387 -45.608 1.00 38.18 ? 1190 HOH D O 1 HETATM 13158 O O . HOH W 8 . ? 26.654 -3.558 -114.443 1.00 15.92 ? 401 HOH E O 1 HETATM 13159 O O . HOH W 8 . ? 28.990 8.037 -113.295 1.00 4.92 ? 402 HOH E O 1 HETATM 13160 O O . HOH W 8 . ? 31.642 -6.174 -136.148 1.00 30.53 ? 403 HOH E O 1 HETATM 13161 O O . HOH W 8 . ? 48.465 -18.127 -161.690 1.00 26.16 ? 404 HOH E O 1 HETATM 13162 O O . HOH W 8 . ? 47.194 -2.060 -167.238 1.00 42.28 ? 405 HOH E O 1 HETATM 13163 O O . HOH W 8 . ? 26.661 -5.963 -129.934 1.00 8.47 ? 406 HOH E O 1 HETATM 13164 O O . HOH W 8 . ? 42.102 -11.385 -125.840 1.00 18.04 ? 407 HOH E O 1 HETATM 13165 O O . HOH W 8 . ? 36.088 -23.405 -128.711 1.00 32.05 ? 408 HOH E O 1 HETATM 13166 O O . HOH W 8 . ? 47.651 -7.249 -170.709 1.00 33.90 ? 409 HOH E O 1 HETATM 13167 O O . HOH W 8 . ? 30.479 -0.930 -114.659 1.00 7.77 ? 410 HOH E O 1 HETATM 13168 O O . HOH W 8 . ? 27.129 -3.125 -117.087 1.00 15.22 ? 411 HOH E O 1 HETATM 13169 O O . HOH W 8 . ? 47.108 -23.738 -129.869 1.00 31.49 ? 412 HOH E O 1 HETATM 13170 O O . HOH W 8 . ? 51.803 3.260 -168.847 1.00 47.57 ? 413 HOH E O 1 HETATM 13171 O O . HOH W 8 . ? 39.537 -0.952 -126.437 1.00 24.78 ? 414 HOH E O 1 HETATM 13172 O O . HOH W 8 . ? 43.277 -13.657 -156.032 1.00 24.23 ? 415 HOH E O 1 HETATM 13173 O O . HOH W 8 . ? 43.677 -4.715 -130.815 1.00 48.45 ? 416 HOH E O 1 HETATM 13174 O O . HOH W 8 . ? 25.726 -17.152 -117.337 1.00 28.24 ? 417 HOH E O 1 HETATM 13175 O O . HOH W 8 . ? 23.803 -13.844 -119.662 1.00 23.12 ? 418 HOH E O 1 HETATM 13176 O O . HOH W 8 . ? 53.347 -20.878 -160.735 1.00 44.63 ? 419 HOH E O 1 HETATM 13177 O O . HOH W 8 . ? 27.195 -6.127 -108.027 1.00 16.99 ? 420 HOH E O 1 HETATM 13178 O O . HOH W 8 . ? 38.468 -2.802 -134.375 1.00 29.42 ? 421 HOH E O 1 HETATM 13179 O O . HOH W 8 . ? 45.095 -5.610 -126.412 1.00 24.52 ? 422 HOH E O 1 HETATM 13180 O O . HOH W 8 . ? 25.651 -8.879 -112.101 1.00 11.98 ? 423 HOH E O 1 HETATM 13181 O O . HOH W 8 . ? 34.851 -3.576 -108.400 1.00 28.61 ? 424 HOH E O 1 HETATM 13182 O O . HOH W 8 . ? 36.776 1.149 -121.789 1.00 24.89 ? 425 HOH E O 1 HETATM 13183 O O . HOH W 8 . ? 44.270 -4.765 -123.234 1.00 17.99 ? 426 HOH E O 1 HETATM 13184 O O . HOH W 8 . ? 50.176 -19.172 -137.014 1.00 42.62 ? 427 HOH E O 1 HETATM 13185 O O . HOH W 8 . ? 34.077 4.633 -113.223 1.00 22.89 ? 428 HOH E O 1 HETATM 13186 O O . HOH W 8 . ? 38.408 -0.087 -114.419 1.00 41.34 ? 429 HOH E O 1 HETATM 13187 O O . HOH W 8 . ? 40.850 -1.751 -169.439 1.00 48.04 ? 430 HOH E O 1 HETATM 13188 O O . HOH W 8 . ? 33.589 -18.335 -134.926 1.00 17.74 ? 431 HOH E O 1 HETATM 13189 O O . HOH W 8 . ? 41.756 -0.822 -118.335 1.00 37.20 ? 432 HOH E O 1 HETATM 13190 O O . HOH W 8 . ? 42.575 -8.489 -175.285 1.00 36.30 ? 433 HOH E O 1 HETATM 13191 O O . HOH W 8 . ? 29.708 -0.115 -105.675 1.00 18.52 ? 434 HOH E O 1 HETATM 13192 O O . HOH W 8 . ? 28.708 -17.903 -155.816 1.00 34.22 ? 435 HOH E O 1 HETATM 13193 O O . HOH W 8 . ? 53.858 -18.648 -153.471 1.00 26.82 ? 436 HOH E O 1 HETATM 13194 O O . HOH W 8 . ? 51.062 5.852 -169.355 1.00 49.81 ? 437 HOH E O 1 HETATM 13195 O O . HOH W 8 . ? 41.370 -7.129 -136.826 1.00 36.02 ? 438 HOH E O 1 HETATM 13196 O O . HOH W 8 . ? 53.355 1.124 -151.809 1.00 29.00 ? 439 HOH E O 1 HETATM 13197 O O . HOH W 8 . ? 41.575 -9.300 -138.591 1.00 38.11 ? 440 HOH E O 1 HETATM 13198 O O . HOH W 8 . ? 39.973 0.545 -123.693 1.00 28.06 ? 441 HOH E O 1 HETATM 13199 O O . HOH W 8 . ? 61.527 -9.129 -153.659 1.00 29.20 ? 442 HOH E O 1 HETATM 13200 O O . HOH W 8 . ? 35.740 -13.414 -150.902 1.00 42.91 ? 443 HOH E O 1 HETATM 13201 O O . HOH W 8 . ? 43.234 -12.919 -158.610 1.00 19.97 ? 444 HOH E O 1 HETATM 13202 O O . HOH W 8 . ? 32.043 -12.885 -110.012 1.00 15.53 ? 445 HOH E O 1 HETATM 13203 O O . HOH W 8 . ? 41.494 -3.300 -133.913 1.00 18.86 ? 446 HOH E O 1 HETATM 13204 O O . HOH W 8 . ? 22.284 -0.309 -111.157 1.00 18.56 ? 447 HOH E O 1 HETATM 13205 O O . HOH W 8 . ? 38.399 -24.952 -140.028 1.00 37.79 ? 448 HOH E O 1 HETATM 13206 O O . HOH W 8 . ? 52.129 -12.326 -167.740 1.00 37.29 ? 449 HOH E O 1 HETATM 13207 O O . HOH W 8 . ? 47.021 -10.160 -119.658 1.00 44.15 ? 450 HOH E O 1 HETATM 13208 O O . HOH W 8 . ? 25.253 -7.941 -131.370 1.00 5.12 ? 451 HOH E O 1 HETATM 13209 O O . HOH W 8 . ? 30.247 -18.165 -132.517 1.00 38.72 ? 452 HOH E O 1 HETATM 13210 O O . HOH W 8 . ? 31.450 -9.177 -136.336 1.00 38.99 ? 453 HOH E O 1 HETATM 13211 O O . HOH W 8 . ? 43.126 -22.603 -152.437 1.00 49.03 ? 454 HOH E O 1 HETATM 13212 O O . HOH W 8 . ? 25.373 -14.807 -123.077 1.00 26.44 ? 455 HOH E O 1 HETATM 13213 O O . HOH W 8 . ? 37.365 -0.025 -111.679 1.00 53.95 ? 456 HOH E O 1 HETATM 13214 O O . HOH W 8 . ? 34.820 3.090 -117.913 1.00 32.43 ? 457 HOH E O 1 HETATM 13215 O O . HOH W 8 . ? 50.793 -14.607 -133.607 1.00 24.04 ? 458 HOH E O 1 HETATM 13216 O O . HOH W 8 . ? 34.824 -13.528 -110.512 1.00 37.90 ? 459 HOH E O 1 HETATM 13217 O O . HOH W 8 . ? 48.097 -5.753 -123.257 1.00 41.99 ? 460 HOH E O 1 HETATM 13218 O O . HOH W 8 . ? 27.426 -2.977 -137.693 1.00 37.01 ? 461 HOH E O 1 HETATM 13219 O O . HOH W 8 . ? 56.862 -19.573 -149.656 1.00 46.24 ? 462 HOH E O 1 HETATM 13220 O O . HOH W 8 . ? 25.033 -14.832 -129.803 1.00 35.90 ? 463 HOH E O 1 HETATM 13221 O O . HOH W 8 . ? 50.934 -4.466 -143.918 1.00 25.50 ? 464 HOH E O 1 HETATM 13222 O O . HOH W 8 . ? 55.096 7.774 -153.142 1.00 42.50 ? 465 HOH E O 1 HETATM 13223 O O . HOH W 8 . ? 41.262 6.951 -163.432 1.00 32.98 ? 466 HOH E O 1 HETATM 13224 O O . HOH W 8 . ? 38.999 -8.202 -139.577 1.00 31.82 ? 467 HOH E O 1 HETATM 13225 O O . HOH W 8 . ? 42.272 -10.844 -141.797 1.00 49.72 ? 468 HOH E O 1 HETATM 13226 O O . HOH W 8 . ? 46.836 -9.475 -136.867 1.00 24.93 ? 469 HOH E O 1 HETATM 13227 O O . HOH W 8 . ? 32.432 -11.107 -107.812 1.00 14.52 ? 470 HOH E O 1 HETATM 13228 O O . HOH W 8 . ? 39.281 -25.685 -123.607 1.00 23.13 ? 471 HOH E O 1 HETATM 13229 O O . HOH W 8 . ? 52.295 -6.648 -144.802 1.00 33.67 ? 472 HOH E O 1 HETATM 13230 O O . HOH W 8 . ? 37.603 -26.096 -125.920 1.00 32.76 ? 473 HOH E O 1 HETATM 13231 O O . HOH W 8 . ? 44.867 -8.231 -138.291 1.00 27.82 ? 474 HOH E O 1 HETATM 13232 O O . HOH W 8 . ? 42.896 -5.218 -138.021 1.00 36.27 ? 475 HOH E O 1 HETATM 13233 O O . HOH X 8 . ? 41.455 5.535 -160.640 1.00 15.71 ? 301 HOH F O 1 HETATM 13234 O O . HOH X 8 . ? 38.544 6.475 -127.408 1.00 19.28 ? 302 HOH F O 1 HETATM 13235 O O . HOH X 8 . ? 16.841 7.298 -115.440 1.00 8.43 ? 303 HOH F O 1 HETATM 13236 O O . HOH X 8 . ? 33.167 13.541 -158.875 1.00 14.73 ? 304 HOH F O 1 HETATM 13237 O O . HOH X 8 . ? 14.031 4.813 -130.370 1.00 10.65 ? 305 HOH F O 1 HETATM 13238 O O . HOH X 8 . ? 35.423 12.054 -158.977 1.00 28.23 ? 306 HOH F O 1 HETATM 13239 O O . HOH X 8 . ? 25.842 11.112 -114.210 1.00 17.82 ? 307 HOH F O 1 HETATM 13240 O O . HOH X 8 . ? 27.657 13.246 -143.495 1.00 17.04 ? 308 HOH F O 1 HETATM 13241 O O . HOH X 8 . ? 25.807 4.050 -139.111 1.00 19.50 ? 309 HOH F O 1 HETATM 13242 O O . HOH X 8 . ? 43.217 8.600 -132.450 1.00 41.90 ? 310 HOH F O 1 HETATM 13243 O O . HOH X 8 . ? 25.100 -2.966 -119.166 1.00 15.89 ? 311 HOH F O 1 HETATM 13244 O O . HOH X 8 . ? 26.953 8.165 -160.058 1.00 36.52 ? 312 HOH F O 1 HETATM 13245 O O . HOH X 8 . ? 29.289 -0.164 -139.708 1.00 32.43 ? 313 HOH F O 1 HETATM 13246 O O . HOH X 8 . ? 12.253 11.404 -118.814 1.00 8.71 ? 314 HOH F O 1 HETATM 13247 O O . HOH X 8 . ? 23.749 -9.429 -118.762 1.00 25.14 ? 315 HOH F O 1 HETATM 13248 O O . HOH X 8 . ? 37.874 9.050 -138.076 1.00 29.11 ? 316 HOH F O 1 HETATM 13249 O O . HOH X 8 . ? 20.845 -11.004 -123.746 1.00 17.76 ? 317 HOH F O 1 HETATM 13250 O O . HOH X 8 . ? 41.394 10.735 -132.387 1.00 32.03 ? 318 HOH F O 1 HETATM 13251 O O . HOH X 8 . ? 30.714 -5.931 -153.572 1.00 25.22 ? 319 HOH F O 1 HETATM 13252 O O . HOH X 8 . ? 11.749 11.654 -131.638 1.00 28.62 ? 320 HOH F O 1 HETATM 13253 O O . HOH X 8 . ? 18.554 10.397 -110.695 1.00 31.33 ? 321 HOH F O 1 HETATM 13254 O O . HOH X 8 . ? 29.243 16.471 -120.637 1.00 11.60 ? 322 HOH F O 1 HETATM 13255 O O . HOH X 8 . ? 46.488 10.976 -145.526 1.00 28.93 ? 323 HOH F O 1 HETATM 13256 O O . HOH X 8 . ? 20.562 12.237 -113.720 1.00 19.24 ? 324 HOH F O 1 HETATM 13257 O O . HOH X 8 . ? 35.211 18.152 -155.482 1.00 26.76 ? 325 HOH F O 1 HETATM 13258 O O . HOH X 8 . ? 43.844 -10.390 -164.562 1.00 45.98 ? 326 HOH F O 1 HETATM 13259 O O . HOH X 8 . ? 52.171 4.838 -150.597 1.00 26.55 ? 327 HOH F O 1 HETATM 13260 O O . HOH X 8 . ? 10.044 4.372 -120.838 1.00 23.54 ? 328 HOH F O 1 HETATM 13261 O O . HOH X 8 . ? 43.987 15.918 -149.985 1.00 31.73 ? 329 HOH F O 1 HETATM 13262 O O . HOH X 8 . ? 14.666 14.239 -120.592 1.00 23.97 ? 330 HOH F O 1 HETATM 13263 O O . HOH X 8 . ? 27.462 5.610 -160.749 1.00 38.49 ? 331 HOH F O 1 HETATM 13264 O O . HOH X 8 . ? 25.501 8.020 -134.339 1.00 13.05 ? 332 HOH F O 1 HETATM 13265 O O . HOH X 8 . ? 19.891 -6.044 -122.820 1.00 7.77 ? 333 HOH F O 1 HETATM 13266 O O . HOH X 8 . ? 29.160 11.231 -158.843 1.00 43.68 ? 334 HOH F O 1 HETATM 13267 O O . HOH X 8 . ? 13.483 12.941 -122.678 1.00 8.05 ? 335 HOH F O 1 HETATM 13268 O O . HOH X 8 . ? 14.396 -5.223 -126.539 1.00 28.05 ? 336 HOH F O 1 HETATM 13269 O O . HOH X 8 . ? 40.678 7.836 -134.017 1.00 31.32 ? 337 HOH F O 1 HETATM 13270 O O . HOH X 8 . ? 29.729 14.937 -143.803 1.00 18.26 ? 338 HOH F O 1 HETATM 13271 O O . HOH X 8 . ? 13.344 1.139 -127.718 1.00 16.88 ? 339 HOH F O 1 HETATM 13272 O O . HOH X 8 . ? 26.012 16.258 -117.383 1.00 37.98 ? 340 HOH F O 1 HETATM 13273 O O . HOH X 8 . ? 29.524 17.950 -142.094 1.00 48.42 ? 341 HOH F O 1 HETATM 13274 O O . HOH X 8 . ? 29.608 1.277 -153.073 1.00 17.40 ? 342 HOH F O 1 HETATM 13275 O O . HOH X 8 . ? 31.351 24.616 -131.839 1.00 27.96 ? 343 HOH F O 1 HETATM 13276 O O . HOH X 8 . ? 24.541 15.006 -121.341 1.00 19.94 ? 344 HOH F O 1 HETATM 13277 O O . HOH X 8 . ? 36.123 8.456 -162.186 1.00 33.31 ? 345 HOH F O 1 HETATM 13278 O O . HOH X 8 . ? 40.076 13.248 -157.351 1.00 28.70 ? 346 HOH F O 1 HETATM 13279 O O . HOH X 8 . ? 43.029 17.551 -131.313 1.00 35.30 ? 347 HOH F O 1 HETATM 13280 O O . HOH X 8 . ? 47.883 13.998 -152.060 1.00 26.44 ? 348 HOH F O 1 HETATM 13281 O O . HOH X 8 . ? 44.825 -9.229 -171.750 1.00 34.31 ? 349 HOH F O 1 HETATM 13282 O O . HOH X 8 . ? 24.364 3.108 -114.398 1.00 10.42 ? 350 HOH F O 1 HETATM 13283 O O . HOH X 8 . ? 37.179 -0.138 -135.618 1.00 21.80 ? 351 HOH F O 1 HETATM 13284 O O . HOH X 8 . ? 20.048 -7.979 -130.661 1.00 17.97 ? 352 HOH F O 1 HETATM 13285 O O . HOH X 8 . ? 45.221 -0.017 -150.707 1.00 26.53 ? 353 HOH F O 1 HETATM 13286 O O . HOH X 8 . ? 22.898 18.064 -125.282 1.00 21.81 ? 354 HOH F O 1 HETATM 13287 O O . HOH X 8 . ? 55.667 17.138 -147.027 1.00 16.07 ? 355 HOH F O 1 HETATM 13288 O O . HOH X 8 . ? 17.156 -9.140 -125.648 1.00 28.07 ? 356 HOH F O 1 HETATM 13289 O O . HOH X 8 . ? 17.393 8.402 -134.807 1.00 43.84 ? 357 HOH F O 1 HETATM 13290 O O . HOH X 8 . ? 55.148 11.880 -150.783 1.00 21.09 ? 358 HOH F O 1 HETATM 13291 O O . HOH X 8 . ? 39.411 -9.971 -176.666 1.00 35.76 ? 359 HOH F O 1 HETATM 13292 O O . HOH X 8 . ? 26.294 -3.904 -163.515 1.00 23.60 ? 360 HOH F O 1 HETATM 13293 O O . HOH X 8 . ? 30.847 -2.779 -150.319 1.00 32.25 ? 361 HOH F O 1 HETATM 13294 O O . HOH X 8 . ? 38.918 23.616 -132.413 1.00 29.78 ? 362 HOH F O 1 HETATM 13295 O O . HOH X 8 . ? 27.626 19.886 -126.961 1.00 22.63 ? 363 HOH F O 1 HETATM 13296 O O . HOH X 8 . ? 31.482 21.121 -142.007 1.00 44.49 ? 364 HOH F O 1 HETATM 13297 O O . HOH X 8 . ? 26.906 12.238 -145.895 1.00 23.72 ? 365 HOH F O 1 HETATM 13298 O O . HOH X 8 . ? 28.581 18.829 -155.888 1.00 33.51 ? 366 HOH F O 1 HETATM 13299 O O . HOH X 8 . ? 12.425 0.715 -132.500 1.00 29.26 ? 367 HOH F O 1 HETATM 13300 O O . HOH X 8 . ? 37.997 13.101 -128.292 1.00 21.76 ? 368 HOH F O 1 HETATM 13301 O O . HOH X 8 . ? 23.086 10.662 -112.707 1.00 32.63 ? 369 HOH F O 1 HETATM 13302 O O . HOH X 8 . ? 47.089 16.650 -138.422 1.00 33.87 ? 370 HOH F O 1 HETATM 13303 O O . HOH X 8 . ? 22.378 -4.194 -132.594 1.00 36.52 ? 371 HOH F O 1 HETATM 13304 O O . HOH X 8 . ? 30.327 3.808 -139.556 1.00 46.77 ? 372 HOH F O 1 HETATM 13305 O O . HOH X 8 . ? 43.142 18.439 -141.125 1.00 23.18 ? 373 HOH F O 1 HETATM 13306 O O . HOH X 8 . ? 30.862 16.841 -118.465 1.00 19.95 ? 374 HOH F O 1 HETATM 13307 O O . HOH X 8 . ? 35.172 -1.054 -149.425 1.00 19.74 ? 375 HOH F O 1 HETATM 13308 O O . HOH X 8 . ? 19.468 14.024 -117.151 1.00 15.48 ? 376 HOH F O 1 HETATM 13309 O O . HOH X 8 . ? 27.620 -12.871 -154.281 1.00 42.23 ? 377 HOH F O 1 HETATM 13310 O O . HOH X 8 . ? 23.693 -12.340 -121.893 1.00 40.08 ? 378 HOH F O 1 HETATM 13311 O O . HOH X 8 . ? 39.286 -1.016 -129.374 1.00 31.18 ? 379 HOH F O 1 HETATM 13312 O O . HOH X 8 . ? 14.875 -2.406 -133.517 1.00 26.05 ? 380 HOH F O 1 HETATM 13313 O O . HOH X 8 . ? 16.122 0.595 -134.515 1.00 41.81 ? 381 HOH F O 1 HETATM 13314 O O . HOH X 8 . ? 45.852 18.903 -139.931 1.00 24.94 ? 382 HOH F O 1 HETATM 13315 O O . HOH X 8 . ? 30.139 7.890 -161.856 1.00 45.37 ? 383 HOH F O 1 HETATM 13316 O O . HOH X 8 . ? 12.332 9.245 -116.340 1.00 26.28 ? 384 HOH F O 1 HETATM 13317 O O . HOH X 8 . ? 17.663 13.714 -122.244 1.00 18.27 ? 385 HOH F O 1 HETATM 13318 O O . HOH X 8 . ? 15.574 -2.683 -136.145 1.00 40.33 ? 386 HOH F O 1 HETATM 13319 O O . HOH X 8 . ? 14.810 14.848 -133.021 1.00 30.51 ? 387 HOH F O 1 HETATM 13320 O O . HOH X 8 . ? 22.220 17.781 -122.662 1.00 28.22 ? 388 HOH F O 1 HETATM 13321 O O . HOH X 8 . ? 25.935 -3.162 -135.408 1.00 24.90 ? 389 HOH F O 1 HETATM 13322 O O . HOH X 8 . ? 13.749 2.011 -130.222 1.00 20.31 ? 390 HOH F O 1 HETATM 13323 O O . HOH X 8 . ? 13.706 5.817 -132.872 1.00 24.98 ? 391 HOH F O 1 HETATM 13324 O O . HOH X 8 . ? 26.204 8.782 -144.113 1.00 35.82 ? 392 HOH F O 1 HETATM 13325 O O . HOH X 8 . ? 35.467 3.152 -120.560 1.00 22.93 ? 393 HOH F O 1 HETATM 13326 O O . HOH X 8 . ? 25.261 9.089 -155.721 1.00 33.83 ? 394 HOH F O 1 HETATM 13327 O O . HOH X 8 . ? 21.008 19.351 -132.520 1.00 43.22 ? 395 HOH F O 1 HETATM 13328 O O . HOH X 8 . ? 33.662 7.641 -114.737 1.00 40.13 ? 396 HOH F O 1 HETATM 13329 O O . HOH X 8 . ? 23.645 25.383 -144.147 1.00 44.52 ? 397 HOH F O 1 HETATM 13330 O O . HOH X 8 . ? 42.055 14.105 -138.621 1.00 23.66 ? 398 HOH F O 1 HETATM 13331 O O . HOH X 8 . ? 27.313 -5.454 -121.972 1.00 29.79 ? 399 HOH F O 1 HETATM 13332 O O . HOH X 8 . ? 14.254 4.660 -136.127 1.00 40.68 ? 400 HOH F O 1 HETATM 13333 O O . HOH X 8 . ? 39.112 4.959 -135.039 1.00 19.64 ? 401 HOH F O 1 HETATM 13334 O O . HOH X 8 . ? 40.448 16.177 -129.146 1.00 44.38 ? 402 HOH F O 1 HETATM 13335 O O . HOH X 8 . ? 25.667 17.229 -137.578 1.00 25.04 ? 403 HOH F O 1 HETATM 13336 O O . HOH X 8 . ? 39.038 3.073 -143.868 1.00 35.61 ? 404 HOH F O 1 HETATM 13337 O O . HOH X 8 . ? 25.270 9.319 -152.509 1.00 31.61 ? 405 HOH F O 1 HETATM 13338 O O . HOH X 8 . ? 14.918 9.874 -134.156 1.00 37.74 ? 406 HOH F O 1 HETATM 13339 O O . HOH X 8 . ? 10.809 7.396 -122.106 1.00 23.00 ? 407 HOH F O 1 HETATM 13340 O O . HOH X 8 . ? 14.923 8.769 -112.192 1.00 15.36 ? 408 HOH F O 1 HETATM 13341 O O . HOH X 8 . ? 27.467 19.132 -121.211 1.00 31.91 ? 409 HOH F O 1 HETATM 13342 O O . HOH X 8 . ? 33.589 -1.857 -171.894 1.00 40.26 ? 410 HOH F O 1 HETATM 13343 O O . HOH X 8 . ? 32.197 0.254 -170.716 1.00 48.09 ? 411 HOH F O 1 HETATM 13344 O O . HOH X 8 . ? 18.328 5.483 -138.168 1.00 40.55 ? 412 HOH F O 1 HETATM 13345 O O . HOH X 8 . ? 21.915 1.906 -139.026 1.00 26.36 ? 413 HOH F O 1 HETATM 13346 O O . HOH X 8 . ? 43.128 12.180 -133.974 1.00 41.51 ? 414 HOH F O 1 HETATM 13347 O O . HOH X 8 . ? 19.252 6.574 -135.870 1.00 16.43 ? 415 HOH F O 1 HETATM 13348 O O . HOH X 8 . ? 41.912 21.135 -133.345 1.00 18.03 ? 416 HOH F O 1 HETATM 13349 O O . HOH X 8 . ? 37.036 -7.476 -148.758 1.00 27.38 ? 417 HOH F O 1 HETATM 13350 O O . HOH X 8 . ? 37.107 10.365 -123.597 1.00 38.49 ? 418 HOH F O 1 HETATM 13351 O O . HOH X 8 . ? 25.457 1.455 -141.231 1.00 35.51 ? 419 HOH F O 1 HETATM 13352 O O . HOH X 8 . ? 10.208 8.056 -119.534 1.00 20.84 ? 420 HOH F O 1 HETATM 13353 O O . HOH X 8 . ? 15.695 18.501 -128.027 1.00 23.30 ? 421 HOH F O 1 HETATM 13354 O O . HOH X 8 . ? 31.946 -16.313 -162.367 1.00 47.94 ? 422 HOH F O 1 HETATM 13355 O O . HOH X 8 . ? 19.511 15.704 -121.184 1.00 27.55 ? 423 HOH F O 1 HETATM 13356 O O . HOH X 8 . ? 24.755 20.504 -134.862 1.00 32.54 ? 424 HOH F O 1 HETATM 13357 O O . HOH X 8 . ? 38.215 5.780 -137.477 1.00 29.57 ? 425 HOH F O 1 HETATM 13358 O O . HOH X 8 . ? 26.724 2.508 -151.177 1.00 35.37 ? 426 HOH F O 1 HETATM 13359 O O . HOH X 8 . ? 37.648 13.598 -159.174 1.00 37.74 ? 427 HOH F O 1 HETATM 13360 O O . HOH X 8 . ? 11.764 11.205 -121.480 1.00 4.15 ? 428 HOH F O 1 HETATM 13361 O O . HOH X 8 . ? 37.324 -0.749 -147.627 1.00 38.40 ? 429 HOH F O 1 HETATM 13362 O O . HOH X 8 . ? 26.665 16.052 -120.019 1.00 43.01 ? 430 HOH F O 1 HETATM 13363 O O . HOH X 8 . ? 42.941 -0.005 -124.472 1.00 37.22 ? 431 HOH F O 1 HETATM 13364 O O . HOH X 8 . ? 9.969 6.107 -115.554 1.00 16.87 ? 432 HOH F O 1 HETATM 13365 O O . HOH X 8 . ? 14.254 7.907 -114.945 1.00 18.78 ? 433 HOH F O 1 HETATM 13366 O O . HOH X 8 . ? 40.062 2.511 -134.587 1.00 20.11 ? 434 HOH F O 1 HETATM 13367 O O . HOH X 8 . ? 38.536 1.729 -146.366 1.00 32.67 ? 435 HOH F O 1 HETATM 13368 O O . HOH X 8 . ? 13.401 13.212 -117.238 1.00 29.51 ? 436 HOH F O 1 HETATM 13369 O O . HOH X 8 . ? 19.856 3.411 -140.075 1.00 26.13 ? 437 HOH F O 1 HETATM 13370 O O . HOH X 8 . ? 24.038 4.634 -158.818 1.00 46.95 ? 438 HOH F O 1 HETATM 13371 O O . HOH X 8 . ? 36.840 12.792 -124.800 1.00 32.95 ? 439 HOH F O 1 HETATM 13372 O O . HOH X 8 . ? 25.003 14.644 -142.543 1.00 37.14 ? 440 HOH F O 1 HETATM 13373 O O . HOH X 8 . ? 25.868 21.174 -129.249 1.00 39.21 ? 441 HOH F O 1 HETATM 13374 O O . HOH X 8 . ? 23.595 3.911 -161.411 1.00 46.77 ? 442 HOH F O 1 HETATM 13375 O O . HOH X 8 . ? 24.656 18.385 -120.585 1.00 49.04 ? 443 HOH F O 1 HETATM 13376 O O . HOH X 8 . ? 22.519 5.391 -155.329 1.00 43.94 ? 444 HOH F O 1 HETATM 13377 O O . HOH X 8 . ? 23.757 7.398 -158.118 1.00 32.96 ? 445 HOH F O 1 HETATM 13378 O O . HOH Y 8 . ? 21.363 -28.980 -1.627 1.00 15.99 ? 401 HOH G O 1 HETATM 13379 O O . HOH Y 8 . ? 24.980 -26.966 1.345 1.00 9.60 ? 402 HOH G O 1 HETATM 13380 O O . HOH Y 8 . ? 23.449 -17.906 2.676 1.00 13.39 ? 403 HOH G O 1 HETATM 13381 O O . HOH Y 8 . ? 21.070 -31.562 -13.969 1.00 17.71 ? 404 HOH G O 1 HETATM 13382 O O . HOH Y 8 . ? 21.196 -29.341 1.326 1.00 14.29 ? 405 HOH G O 1 HETATM 13383 O O . HOH Y 8 . ? 31.461 -24.767 4.329 1.00 39.23 ? 406 HOH G O 1 HETATM 13384 O O . HOH Y 8 . ? 20.038 -34.698 3.789 1.00 18.22 ? 407 HOH G O 1 HETATM 13385 O O . HOH Y 8 . ? 44.988 -26.641 -33.709 1.00 40.98 ? 408 HOH G O 1 HETATM 13386 O O . HOH Y 8 . ? 24.157 -25.883 10.055 1.00 16.59 ? 409 HOH G O 1 HETATM 13387 O O . HOH Y 8 . ? 39.673 -31.686 -10.227 1.00 27.31 ? 410 HOH G O 1 HETATM 13388 O O . HOH Y 8 . ? 19.588 -37.155 -15.305 1.00 29.76 ? 411 HOH G O 1 HETATM 13389 O O . HOH Y 8 . ? 25.952 -32.297 -20.072 1.00 31.21 ? 412 HOH G O 1 HETATM 13390 O O . HOH Y 8 . ? 41.323 -43.816 -37.694 1.00 33.70 ? 413 HOH G O 1 HETATM 13391 O O . HOH Y 8 . ? 21.650 -31.586 -6.445 1.00 21.28 ? 414 HOH G O 1 HETATM 13392 O O . HOH Y 8 . ? 21.855 -32.341 8.068 1.00 23.41 ? 415 HOH G O 1 HETATM 13393 O O . HOH Y 8 . ? 38.824 -30.746 -7.344 1.00 30.46 ? 416 HOH G O 1 HETATM 13394 O O . HOH Y 8 . ? 31.150 -24.702 -5.927 1.00 21.35 ? 417 HOH G O 1 HETATM 13395 O O . HOH Y 8 . ? 20.319 -41.068 -7.108 1.00 17.70 ? 418 HOH G O 1 HETATM 13396 O O . HOH Y 8 . ? 44.578 -21.726 -52.871 1.00 47.38 ? 419 HOH G O 1 HETATM 13397 O O . HOH Y 8 . ? 22.157 -29.019 -20.988 1.00 27.50 ? 420 HOH G O 1 HETATM 13398 O O . HOH Y 8 . ? 29.229 -29.643 6.884 1.00 33.91 ? 421 HOH G O 1 HETATM 13399 O O . HOH Y 8 . ? 43.670 -35.995 -53.783 1.00 37.21 ? 422 HOH G O 1 HETATM 13400 O O . HOH Y 8 . ? 28.335 -41.931 -18.840 1.00 30.86 ? 423 HOH G O 1 HETATM 13401 O O . HOH Y 8 . ? 20.010 -41.839 -9.779 1.00 22.67 ? 424 HOH G O 1 HETATM 13402 O O . HOH Y 8 . ? 24.457 -47.114 4.681 1.00 37.18 ? 425 HOH G O 1 HETATM 13403 O O . HOH Y 8 . ? 16.687 -26.133 4.679 1.00 17.43 ? 426 HOH G O 1 HETATM 13404 O O . HOH Y 8 . ? 21.525 -34.405 -21.331 1.00 42.81 ? 427 HOH G O 1 HETATM 13405 O O . HOH Y 8 . ? 28.535 -21.407 2.603 1.00 22.45 ? 428 HOH G O 1 HETATM 13406 O O . HOH Y 8 . ? 19.883 -33.963 -15.551 1.00 16.05 ? 429 HOH G O 1 HETATM 13407 O O . HOH Y 8 . ? 30.643 -49.399 -12.711 1.00 32.30 ? 430 HOH G O 1 HETATM 13408 O O . HOH Y 8 . ? 35.938 -49.708 -11.912 1.00 29.09 ? 431 HOH G O 1 HETATM 13409 O O . HOH Y 8 . ? 26.046 -35.047 -20.266 1.00 39.83 ? 432 HOH G O 1 HETATM 13410 O O . HOH Y 8 . ? 37.774 -48.846 -35.973 1.00 43.11 ? 433 HOH G O 1 HETATM 13411 O O . HOH Y 8 . ? 49.664 -21.172 -37.548 1.00 24.27 ? 434 HOH G O 1 HETATM 13412 O O . HOH Y 8 . ? 26.871 -45.412 -18.578 1.00 38.44 ? 435 HOH G O 1 HETATM 13413 O O . HOH Y 8 . ? 21.249 -30.769 -17.974 1.00 39.25 ? 436 HOH G O 1 HETATM 13414 O O . HOH Y 8 . ? 22.018 -47.976 -1.073 1.00 32.57 ? 437 HOH G O 1 HETATM 13415 O O . HOH Y 8 . ? 45.531 -40.142 -17.890 1.00 36.65 ? 438 HOH G O 1 HETATM 13416 O O . HOH Y 8 . ? 46.281 -30.677 -28.657 1.00 33.27 ? 439 HOH G O 1 HETATM 13417 O O . HOH Y 8 . ? 18.234 -38.828 -6.019 1.00 52.05 ? 440 HOH G O 1 HETATM 13418 O O . HOH Y 8 . ? 26.738 -36.743 8.167 1.00 29.08 ? 441 HOH G O 1 HETATM 13419 O O . HOH Y 8 . ? 43.898 -41.229 8.519 1.00 47.51 ? 442 HOH G O 1 HETATM 13420 O O . HOH Y 8 . ? 30.205 -38.249 12.825 1.00 39.42 ? 443 HOH G O 1 HETATM 13421 O O . HOH Y 8 . ? 44.125 -29.931 -11.013 1.00 33.49 ? 444 HOH G O 1 HETATM 13422 O O . HOH Z 8 . ? 19.131 -28.770 -3.137 1.00 20.49 ? 301 HOH H O 1 HETATM 13423 O O . HOH Z 8 . ? 19.715 -17.743 -18.488 1.00 12.71 ? 302 HOH H O 1 HETATM 13424 O O . HOH Z 8 . ? 11.385 -18.303 0.523 1.00 8.49 ? 303 HOH H O 1 HETATM 13425 O O . HOH Z 8 . ? 19.312 -12.264 -35.421 1.00 33.68 ? 304 HOH H O 1 HETATM 13426 O O . HOH Z 8 . ? 23.918 -8.472 -26.960 1.00 52.86 ? 305 HOH H O 1 HETATM 13427 O O . HOH Z 8 . ? 9.269 -11.839 -4.949 1.00 23.38 ? 306 HOH H O 1 HETATM 13428 O O . HOH Z 8 . ? 40.521 -14.374 -29.922 1.00 28.23 ? 307 HOH H O 1 HETATM 13429 O O . HOH Z 8 . ? 7.751 -13.086 -6.773 1.00 11.33 ? 308 HOH H O 1 HETATM 13430 O O . HOH Z 8 . ? 34.752 -33.459 -31.431 1.00 43.63 ? 309 HOH H O 1 HETATM 13431 O O . HOH Z 8 . ? 42.413 -13.410 -38.993 1.00 31.15 ? 310 HOH H O 1 HETATM 13432 O O . HOH Z 8 . ? 3.736 -17.092 -16.886 1.00 33.74 ? 311 HOH H O 1 HETATM 13433 O O . HOH Z 8 . ? 34.129 -37.032 -60.681 1.00 51.33 ? 312 HOH H O 1 HETATM 13434 O O . HOH Z 8 . ? 7.474 -17.457 -6.863 1.00 29.12 ? 313 HOH H O 1 HETATM 13435 O O . HOH Z 8 . ? 33.097 -19.359 -11.401 1.00 29.17 ? 314 HOH H O 1 HETATM 13436 O O . HOH Z 8 . ? 50.457 -8.940 -31.066 1.00 34.74 ? 315 HOH H O 1 HETATM 13437 O O . HOH Z 8 . ? 18.974 -22.642 1.329 1.00 9.09 ? 316 HOH H O 1 HETATM 13438 O O . HOH Z 8 . ? 30.375 -15.411 -31.527 1.00 36.19 ? 317 HOH H O 1 HETATM 13439 O O . HOH Z 8 . ? 12.549 -14.762 3.609 1.00 61.75 ? 318 HOH H O 1 HETATM 13440 O O . HOH Z 8 . ? 8.273 -21.319 -14.347 1.00 29.61 ? 319 HOH H O 1 HETATM 13441 O O . HOH Z 8 . ? 25.352 -46.270 -49.759 1.00 23.80 ? 320 HOH H O 1 HETATM 13442 O O . HOH Z 8 . ? 24.153 -25.134 -36.780 1.00 40.65 ? 321 HOH H O 1 HETATM 13443 O O . HOH Z 8 . ? 20.340 -21.679 -23.066 1.00 31.13 ? 322 HOH H O 1 HETATM 13444 O O . HOH Z 8 . ? 25.797 -16.519 2.674 1.00 27.48 ? 323 HOH H O 1 HETATM 13445 O O . HOH Z 8 . ? 23.903 -11.064 -27.816 1.00 25.53 ? 324 HOH H O 1 HETATM 13446 O O . HOH Z 8 . ? 33.329 -28.726 -62.187 1.00 53.33 ? 325 HOH H O 1 HETATM 13447 O O . HOH Z 8 . ? 21.842 -6.037 -10.809 1.00 27.17 ? 326 HOH H O 1 HETATM 13448 O O . HOH Z 8 . ? 11.836 -12.173 -6.516 1.00 20.29 ? 327 HOH H O 1 HETATM 13449 O O . HOH Z 8 . ? 20.746 -30.086 -47.234 1.00 48.21 ? 328 HOH H O 1 HETATM 13450 O O . HOH Z 8 . ? 9.402 -29.148 -17.052 1.00 35.69 ? 329 HOH H O 1 HETATM 13451 O O . HOH Z 8 . ? 38.235 -9.655 -33.968 1.00 24.47 ? 330 HOH H O 1 HETATM 13452 O O . HOH Z 8 . ? 23.734 -25.818 -23.767 1.00 29.47 ? 331 HOH H O 1 HETATM 13453 O O . HOH Z 8 . ? 20.685 -22.968 -35.308 1.00 32.63 ? 332 HOH H O 1 HETATM 13454 O O . HOH Z 8 . ? 14.162 -31.970 -7.036 1.00 17.16 ? 333 HOH H O 1 HETATM 13455 O O . HOH Z 8 . ? 35.166 -18.107 -18.188 1.00 39.36 ? 334 HOH H O 1 HETATM 13456 O O . HOH Z 8 . ? 29.717 -18.729 -3.722 1.00 19.58 ? 335 HOH H O 1 HETATM 13457 O O . HOH Z 8 . ? 18.807 -23.230 -24.688 1.00 29.01 ? 336 HOH H O 1 HETATM 13458 O O . HOH Z 8 . ? 31.937 -12.626 -12.249 1.00 31.05 ? 337 HOH H O 1 HETATM 13459 O O . HOH Z 8 . ? 6.857 -16.700 -0.219 1.00 30.55 ? 338 HOH H O 1 HETATM 13460 O O . HOH Z 8 . ? 26.165 -4.155 -25.862 1.00 35.32 ? 339 HOH H O 1 HETATM 13461 O O . HOH Z 8 . ? 14.497 -13.442 1.631 1.00 37.90 ? 340 HOH H O 1 HETATM 13462 O O . HOH Z 8 . ? 16.616 -38.504 -11.474 1.00 23.19 ? 341 HOH H O 1 HETATM 13463 O O . HOH Z 8 . ? 20.036 -8.520 -21.395 1.00 29.36 ? 342 HOH H O 1 HETATM 13464 O O . HOH Z 8 . ? 36.279 -11.504 -22.576 1.00 32.01 ? 343 HOH H O 1 HETATM 13465 O O . HOH Z 8 . ? 18.095 -15.094 2.554 1.00 33.25 ? 344 HOH H O 1 HETATM 13466 O O . HOH Z 8 . ? 7.334 -24.713 -11.574 1.00 31.78 ? 345 HOH H O 1 HETATM 13467 O O . HOH Z 8 . ? 16.483 -29.840 -16.732 1.00 31.04 ? 346 HOH H O 1 HETATM 13468 O O . HOH Z 8 . ? 32.938 -38.986 -57.365 1.00 44.85 ? 347 HOH H O 1 HETATM 13469 O O . HOH Z 8 . ? 42.810 -16.060 -25.553 1.00 24.98 ? 348 HOH H O 1 HETATM 13470 O O . HOH Z 8 . ? 29.684 -22.845 -4.641 1.00 38.60 ? 349 HOH H O 1 HETATM 13471 O O . HOH Z 8 . ? 41.131 -27.003 -33.631 1.00 27.51 ? 350 HOH H O 1 HETATM 13472 O O . HOH Z 8 . ? 39.587 -20.974 -28.768 1.00 41.05 ? 351 HOH H O 1 HETATM 13473 O O . HOH Z 8 . ? 30.171 -17.786 -46.343 1.00 24.57 ? 352 HOH H O 1 HETATM 13474 O O . HOH Z 8 . ? 32.545 -23.084 -29.600 1.00 32.80 ? 353 HOH H O 1 HETATM 13475 O O . HOH Z 8 . ? 7.813 -17.090 -17.926 1.00 29.70 ? 354 HOH H O 1 HETATM 13476 O O . HOH Z 8 . ? 49.582 -13.834 -35.204 1.00 28.95 ? 355 HOH H O 1 HETATM 13477 O O . HOH Z 8 . ? 17.955 -18.077 -26.915 1.00 26.08 ? 356 HOH H O 1 HETATM 13478 O O . HOH Z 8 . ? 20.733 -17.014 -28.025 1.00 33.16 ? 357 HOH H O 1 HETATM 13479 O O . HOH Z 8 . ? 12.286 -17.653 -18.859 1.00 41.53 ? 358 HOH H O 1 HETATM 13480 O O . HOH Z 8 . ? 7.122 -14.044 -2.284 1.00 26.87 ? 359 HOH H O 1 HETATM 13481 O O . HOH Z 8 . ? 25.273 -21.825 -23.557 1.00 42.67 ? 360 HOH H O 1 HETATM 13482 O O . HOH Z 8 . ? 23.344 -32.180 -58.685 1.00 47.62 ? 361 HOH H O 1 HETATM 13483 O O . HOH Z 8 . ? 21.885 -6.206 -5.564 1.00 37.60 ? 362 HOH H O 1 HETATM 13484 O O . HOH Z 8 . ? 12.778 -36.155 -14.015 1.00 45.83 ? 363 HOH H O 1 HETATM 13485 O O . HOH Z 8 . ? 26.071 -32.250 -59.346 1.00 36.31 ? 364 HOH H O 1 HETATM 13486 O O . HOH Z 8 . ? 16.293 -23.921 -23.103 1.00 24.07 ? 365 HOH H O 1 HETATM 13487 O O . HOH Z 8 . ? 19.281 -25.265 -36.496 1.00 26.02 ? 366 HOH H O 1 HETATM 13488 O O . HOH Z 8 . ? 44.541 -45.261 -53.893 1.00 41.56 ? 367 HOH H O 1 HETATM 13489 O O . HOH Z 8 . ? 9.534 -5.986 -9.138 1.00 44.12 ? 368 HOH H O 1 HETATM 13490 O O . HOH Z 8 . ? 47.034 -44.388 -49.101 1.00 46.59 ? 369 HOH H O 1 HETATM 13491 O O . HOH Z 8 . ? 34.119 -22.360 -18.736 1.00 23.52 ? 370 HOH H O 1 HETATM 13492 O O . HOH Z 8 . ? 22.121 -28.051 -24.030 1.00 33.45 ? 371 HOH H O 1 HETATM 13493 O O . HOH Z 8 . ? 27.017 -1.496 -26.594 1.00 44.79 ? 372 HOH H O 1 HETATM 13494 O O . HOH Z 8 . ? 33.369 -20.464 -21.369 1.00 44.37 ? 373 HOH H O 1 HETATM 13495 O O . HOH Z 8 . ? 46.486 -44.190 -52.073 1.00 41.86 ? 374 HOH H O 1 HETATM 13496 O O . HOH Z 8 . ? 4.525 -19.450 0.279 1.00 24.28 ? 375 HOH H O 1 HETATM 13497 O O . HOH Z 8 . ? 26.858 -32.847 -34.976 1.00 20.33 ? 376 HOH H O 1 HETATM 13498 O O . HOH Z 8 . ? 5.902 -14.592 -5.429 1.00 17.28 ? 377 HOH H O 1 HETATM 13499 O O . HOH Z 8 . ? 8.752 -18.244 1.498 1.00 19.42 ? 378 HOH H O 1 HETATM 13500 O O . HOH Z 8 . ? 17.141 -37.499 -14.257 1.00 34.11 ? 379 HOH H O 1 HETATM 13501 O O . HOH Z 8 . ? 3.299 -22.808 -6.246 1.00 41.28 ? 380 HOH H O 1 HETATM 13502 O O . HOH Z 8 . ? 3.521 -24.776 -8.642 1.00 22.29 ? 381 HOH H O 1 HETATM 13503 O O . HOH AA 8 . ? 27.260 -3.462 -98.537 1.00 8.69 ? 101 HOH I O 1 HETATM 13504 O O . HOH AA 8 . ? 22.662 -2.492 -108.650 1.00 7.05 ? 102 HOH I O 1 HETATM 13505 O O . HOH AA 8 . ? 6.313 -7.085 -116.567 1.00 11.25 ? 103 HOH I O 1 HETATM 13506 O O . HOH AA 8 . ? 27.216 -2.477 -106.817 1.00 19.03 ? 104 HOH I O 1 HETATM 13507 O O . HOH AA 8 . ? 39.203 -2.775 -105.041 1.00 34.63 ? 105 HOH I O 1 HETATM 13508 O O . HOH AA 8 . ? 19.268 -4.866 -114.763 1.00 7.89 ? 106 HOH I O 1 HETATM 13509 O O . HOH AA 8 . ? 12.893 -6.101 -118.690 1.00 47.44 ? 107 HOH I O 1 HETATM 13510 O O . HOH AA 8 . ? 14.849 -6.968 -116.192 1.00 22.44 ? 108 HOH I O 1 HETATM 13511 O O . HOH AA 8 . ? 18.095 -2.764 -113.293 1.00 12.83 ? 109 HOH I O 1 HETATM 13512 O O . HOH BA 8 . ? 12.314 -34.780 7.475 1.00 9.07 ? 101 HOH J O 1 HETATM 13513 O O . HOH BA 8 . ? 21.739 -28.366 8.963 1.00 19.31 ? 102 HOH J O 1 HETATM 13514 O O . HOH BA 8 . ? 0.802 -32.959 -0.484 1.00 7.99 ? 103 HOH J O 1 HETATM 13515 O O . HOH BA 8 . ? 12.414 -28.796 2.736 1.00 31.62 ? 104 HOH J 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 . ASP A 2 ? 0.6990 0.7783 0.5869 -0.1265 -0.0383 0.0450 0 ASP A N 2 C CA . ASP A 2 ? 0.6904 0.7695 0.5790 -0.1204 -0.0330 0.0425 0 ASP A CA 3 C C . ASP A 2 ? 0.7222 0.7762 0.6021 -0.1163 -0.0392 0.0415 0 ASP A C 4 O O . ASP A 2 ? 0.7359 0.7751 0.6085 -0.1232 -0.0491 0.0460 0 ASP A O 5 C CB . ASP A 2 ? 0.7178 0.8146 0.6098 -0.1285 -0.0306 0.0480 0 ASP A CB 6 C CG . ASP A 2 ? 0.8550 0.9789 0.7556 -0.1292 -0.0228 0.0475 0 ASP A CG 7 O OD1 . ASP A 2 ? 0.8498 0.9795 0.7551 -0.1194 -0.0153 0.0408 0 ASP A OD1 8 O OD2 . ASP A 2 ? 0.9353 1.0753 0.8381 -0.1393 -0.0243 0.0540 0 ASP A OD2 9 N N . ILE A 3 ? 0.6395 0.6890 0.5201 -0.1050 -0.0340 0.0358 1 ILE A N 10 C CA . ILE A 3 ? 0.6282 0.6571 0.5018 -0.0985 -0.0387 0.0340 1 ILE A CA 11 C C . ILE A 3 ? 0.6347 0.6668 0.5102 -0.0981 -0.0367 0.0359 1 ILE A C 12 O O . ILE A 3 ? 0.6074 0.6541 0.4899 -0.0949 -0.0286 0.0339 1 ILE A O 13 C CB . ILE A 3 ? 0.6600 0.6823 0.5325 -0.0858 -0.0352 0.0271 1 ILE A CB 14 C CG1 . ILE A 3 ? 0.6642 0.6825 0.5334 -0.0866 -0.0382 0.0254 1 ILE A CG1 15 C CG2 . ILE A 3 ? 0.6804 0.6845 0.5459 -0.0773 -0.0394 0.0249 1 ILE A CG2 16 C CD1 . ILE A 3 ? 0.7096 0.7345 0.5822 -0.0776 -0.0311 0.0202 1 ILE A CD1 17 N N . VAL A 4 ? 0.5799 0.5967 0.4485 -0.1013 -0.0452 0.0398 2 VAL A N 18 C CA . VAL A 4 ? 0.5638 0.5812 0.4330 -0.1011 -0.0452 0.0422 2 VAL A CA 19 C C . VAL A 4 ? 0.5736 0.5813 0.4422 -0.0877 -0.0438 0.0371 2 VAL A C 20 O O . VAL A 4 ? 0.5861 0.5753 0.4476 -0.0816 -0.0499 0.0350 2 VAL A O 21 C CB . VAL A 4 ? 0.6289 0.6369 0.4916 -0.1120 -0.0550 0.0502 2 VAL A CB 22 C CG1 . VAL A 4 ? 0.6488 0.6309 0.5013 -0.1122 -0.0668 0.0510 2 VAL A CG1 23 C CG2 . VAL A 4 ? 0.6258 0.6350 0.4891 -0.1111 -0.0550 0.0527 2 VAL A CG2 24 N N . ALA A 5 ? 0.4809 0.5023 0.3571 -0.0831 -0.0358 0.0351 3 ALA A N 25 C CA . ALA A 5 ? 0.4637 0.4824 0.3421 -0.0715 -0.0332 0.0316 3 ALA A CA 26 C C . ALA A 5 ? 0.4697 0.4998 0.3541 -0.0726 -0.0298 0.0336 3 ALA A C 27 O O . ALA A 5 ? 0.4507 0.4936 0.3384 -0.0801 -0.0265 0.0353 3 ALA A O 28 C CB . ALA A 5 ? 0.4619 0.4869 0.3444 -0.0636 -0.0262 0.0264 3 ALA A CB 29 N N . ASP A 6 ? 0.4060 0.4323 0.2916 -0.0645 -0.0307 0.0331 4 ASP A N 30 C CA . ASP A 6 ? 0.3856 0.4223 0.2772 -0.0651 -0.0282 0.0350 4 ASP A CA 31 C C . ASP A 6 ? 0.3923 0.4447 0.2924 -0.0633 -0.0195 0.0320 4 ASP A C 32 O O . ASP A 6 ? 0.3837 0.4465 0.2876 -0.0681 -0.0170 0.0330 4 ASP A O 33 C CB . ASP A 6 ? 0.4189 0.4486 0.3104 -0.0564 -0.0321 0.0357 4 ASP A CB 34 C CG . ASP A 6 ? 0.5990 0.6098 0.4813 -0.0566 -0.0421 0.0384 4 ASP A CG 35 O OD1 . ASP A 6 ? 0.6255 0.6280 0.5012 -0.0650 -0.0468 0.0406 4 ASP A OD1 36 O OD2 . ASP A 6 ? 0.6850 0.6894 0.5669 -0.0483 -0.0459 0.0387 4 ASP A OD2 37 N N . HIS A 7 ? 0.3242 0.3771 0.2262 -0.0566 -0.0156 0.0284 5 HIS A N 38 C CA . HIS A 7 ? 0.3008 0.3660 0.2102 -0.0549 -0.0084 0.0261 5 HIS A CA 39 C C . HIS A 7 ? 0.3523 0.4168 0.2604 -0.0536 -0.0057 0.0231 5 HIS A C 40 O O . HIS A 7 ? 0.3703 0.4253 0.2731 -0.0488 -0.0081 0.0218 5 HIS A O 41 C CB . HIS A 7 ? 0.3034 0.3740 0.2191 -0.0468 -0.0061 0.0264 5 HIS A CB 42 C CG . HIS A 7 ? 0.3475 0.4205 0.2658 -0.0477 -0.0089 0.0296 5 HIS A CG 43 N ND1 . HIS A 7 ? 0.3656 0.4457 0.2867 -0.0551 -0.0086 0.0310 5 HIS A ND1 44 C CD2 . HIS A 7 ? 0.3753 0.4447 0.2936 -0.0415 -0.0125 0.0313 5 HIS A CD2 45 C CE1 . HIS A 7 ? 0.3619 0.4425 0.2847 -0.0540 -0.0121 0.0340 5 HIS A CE1 46 N NE2 . HIS A 7 ? 0.3725 0.4472 0.2943 -0.0457 -0.0145 0.0345 5 HIS A NE2 47 N N . VAL A 8 ? 0.2841 0.3578 0.1961 -0.0573 -0.0013 0.0218 6 VAL A N 48 C CA . VAL A 8 ? 0.2712 0.3457 0.1829 -0.0560 0.0014 0.0193 6 VAL A CA 49 C C . VAL A 8 ? 0.2872 0.3703 0.2059 -0.0526 0.0068 0.0180 6 VAL A C 50 O O . VAL A 8 ? 0.2758 0.3656 0.1990 -0.0556 0.0086 0.0182 6 VAL A O 51 C CB . VAL A 8 ? 0.3245 0.4015 0.2339 -0.0633 0.0005 0.0192 6 VAL A CB 52 C CG1 . VAL A 8 ? 0.3192 0.3967 0.2286 -0.0610 0.0025 0.0168 6 VAL A CG1 53 C CG2 . VAL A 8 ? 0.3326 0.4014 0.2353 -0.0686 -0.0059 0.0221 6 VAL A CG2 54 N N . ALA A 9 ? 0.2248 0.3067 0.1435 -0.0466 0.0088 0.0170 7 ALA A N 55 C CA . ALA A 9 ? 0.2069 0.2959 0.1317 -0.0438 0.0133 0.0172 7 ALA A CA 56 C C . ALA A 9 ? 0.2484 0.3370 0.1716 -0.0419 0.0151 0.0154 7 ALA A C 57 O O . ALA A 9 ? 0.2573 0.3396 0.1743 -0.0405 0.0131 0.0141 7 ALA A O 58 C CB . ALA A 9 ? 0.2120 0.3038 0.1394 -0.0377 0.0144 0.0193 7 ALA A CB 59 N N . SER A 10 ? 0.1787 0.2731 0.1073 -0.0422 0.0181 0.0157 8 SER A N 60 C CA . SER A 10 ? 0.1669 0.2618 0.0950 -0.0401 0.0198 0.0149 8 SER A CA 61 C C . SER A 10 ? 0.2216 0.3213 0.1540 -0.0367 0.0227 0.0179 8 SER A C 62 O O . SER A 10 ? 0.2164 0.3199 0.1548 -0.0393 0.0232 0.0198 8 SER A O 63 C CB . SER A 10 ? 0.1880 0.2848 0.1179 -0.0439 0.0199 0.0129 8 SER A CB 64 O OG . SER A 10 ? 0.2235 0.3188 0.1495 -0.0471 0.0176 0.0112 8 SER A OG 65 N N . TYR A 11 ? 0.1811 0.2809 0.1100 -0.0313 0.0240 0.0187 9 TYR A N 66 C CA . TYR A 11 ? 0.1773 0.2845 0.1099 -0.0282 0.0271 0.0227 9 TYR A CA 67 C C . TYR A 11 ? 0.2506 0.3575 0.1795 -0.0256 0.0284 0.0227 9 TYR A C 68 O O . TYR A 11 ? 0.2574 0.3662 0.1814 -0.0198 0.0299 0.0232 9 TYR A O 69 C CB . TYR A 11 ? 0.1876 0.2995 0.1193 -0.0224 0.0284 0.0245 9 TYR A CB 70 C CG . TYR A 11 ? 0.1943 0.3057 0.1282 -0.0235 0.0264 0.0244 9 TYR A CG 71 C CD1 . TYR A 11 ? 0.2093 0.3252 0.1512 -0.0292 0.0259 0.0270 9 TYR A CD1 72 C CD2 . TYR A 11 ? 0.2021 0.3084 0.1300 -0.0183 0.0245 0.0222 9 TYR A CD2 73 C CE1 . TYR A 11 ? 0.1982 0.3147 0.1421 -0.0301 0.0238 0.0276 9 TYR A CE1 74 C CE2 . TYR A 11 ? 0.2107 0.3167 0.1407 -0.0189 0.0222 0.0229 9 TYR A CE2 75 C CZ . TYR A 11 ? 0.2757 0.3878 0.2141 -0.0248 0.0221 0.0259 9 TYR A CZ 76 O OH . TYR A 11 ? 0.2546 0.3666 0.1947 -0.0255 0.0194 0.0268 9 TYR A OH 77 N N . GLY A 12 A 0.2011 0.3060 0.1320 -0.0291 0.0276 0.0221 9 GLY A N 78 C CA . GLY A 12 A 0.1952 0.2984 0.1307 -0.0343 0.0259 0.0206 9 GLY A CA 79 C C . GLY A 12 A 0.2326 0.3323 0.1659 -0.0357 0.0243 0.0168 9 GLY A C 80 O O . GLY A 12 A 0.2301 0.3276 0.1581 -0.0342 0.0234 0.0150 9 GLY A O 81 N N . VAL A 13 ? 0.1713 0.2710 0.1088 -0.0384 0.0234 0.0155 10 VAL A N 82 C CA . VAL A 13 ? 0.1594 0.2589 0.0967 -0.0387 0.0222 0.0121 10 VAL A CA 83 C C . VAL A 13 ? 0.2105 0.3087 0.1494 -0.0364 0.0221 0.0140 10 VAL A C 84 O O . VAL A 13 ? 0.2011 0.2974 0.1435 -0.0371 0.0215 0.0164 10 VAL A O 85 C CB . VAL A 13 ? 0.1951 0.2958 0.1346 -0.0413 0.0213 0.0088 10 VAL A CB 86 C CG1 . VAL A 13 ? 0.1900 0.2937 0.1298 -0.0399 0.0207 0.0052 10 VAL A CG1 87 C CG2 . VAL A 13 ? 0.1868 0.2890 0.1242 -0.0443 0.0211 0.0082 10 VAL A CG2 88 N N . ASN A 14 ? 0.1674 0.2659 0.1034 -0.0342 0.0218 0.0136 11 ASN A N 89 C CA . ASN A 14 ? 0.1677 0.2649 0.1044 -0.0319 0.0212 0.0159 11 ASN A CA 90 C C . ASN A 14 ? 0.2178 0.3159 0.1560 -0.0307 0.0193 0.0125 11 ASN A C 91 O O . ASN A 14 ? 0.2194 0.3212 0.1558 -0.0310 0.0189 0.0100 11 ASN A O 92 C CB . ASN A 14 ? 0.1754 0.2732 0.1069 -0.0296 0.0222 0.0187 11 ASN A CB 93 C CG . ASN A 14 ? 0.2935 0.3932 0.2236 -0.0290 0.0246 0.0222 11 ASN A CG 94 O OD1 . ASN A 14 ? 0.2021 0.3041 0.1323 -0.0279 0.0257 0.0270 11 ASN A OD1 95 N ND2 . ASN A 14 ? 0.1969 0.2969 0.1253 -0.0293 0.0252 0.0204 11 ASN A ND2 96 N N . LEU A 15 ? 0.1702 0.2651 0.1118 -0.0293 0.0176 0.0124 12 LEU A N 97 C CA . LEU A 15 ? 0.1701 0.2666 0.1138 -0.0263 0.0157 0.0088 12 LEU A CA 98 C C . LEU A 15 ? 0.2111 0.3023 0.1557 -0.0233 0.0130 0.0115 12 LEU A C 99 O O . LEU A 15 ? 0.2084 0.2929 0.1535 -0.0245 0.0118 0.0154 12 LEU A O 100 C CB . LEU A 15 ? 0.1749 0.2712 0.1207 -0.0263 0.0153 0.0042 12 LEU A CB 101 C CG . LEU A 15 ? 0.2469 0.3448 0.1949 -0.0214 0.0134 -0.0007 12 LEU A CG 102 C CD1 . LEU A 15 ? 0.2450 0.3549 0.1939 -0.0199 0.0145 -0.0028 12 LEU A CD1 103 C CD2 . LEU A 15 ? 0.2962 0.3920 0.2441 -0.0212 0.0128 -0.0052 12 LEU A CD2 104 N N . TYR A 16 ? 0.1634 0.2580 0.1084 -0.0199 0.0117 0.0101 13 TYR A N 105 C CA . TYR A 16 ? 0.1603 0.2502 0.1061 -0.0162 0.0083 0.0122 13 TYR A CA 106 C C . TYR A 16 ? 0.2174 0.3142 0.1661 -0.0114 0.0068 0.0079 13 TYR A C 107 O O . TYR A 16 ? 0.2094 0.3157 0.1578 -0.0123 0.0081 0.0068 13 TYR A O 108 C CB . TYR A 16 ? 0.1658 0.2546 0.1078 -0.0173 0.0083 0.0184 13 TYR A CB 109 C CG . TYR A 16 ? 0.1805 0.2636 0.1230 -0.0141 0.0042 0.0218 13 TYR A CG 110 C CD1 . TYR A 16 ? 0.2029 0.2763 0.1462 -0.0153 0.0015 0.0261 13 TYR A CD1 111 C CD2 . TYR A 16 ? 0.1818 0.2690 0.1242 -0.0105 0.0021 0.0211 13 TYR A CD2 112 C CE1 . TYR A 16 ? 0.2128 0.2792 0.1560 -0.0128 -0.0033 0.0300 13 TYR A CE1 113 C CE2 . TYR A 16 ? 0.1956 0.2769 0.1384 -0.0072 -0.0023 0.0245 13 TYR A CE2 114 C CZ . TYR A 16 ? 0.2797 0.3500 0.2226 -0.0084 -0.0051 0.0290 13 TYR A CZ 115 O OH . TYR A 16 ? 0.3098 0.3727 0.2524 -0.0057 -0.0104 0.0332 13 TYR A OH 116 N N . GLN A 17 ? 0.1812 0.2732 0.1326 -0.0063 0.0036 0.0053 14 GLN A N 117 C CA . GLN A 17 ? 0.1809 0.2810 0.1358 0.0000 0.0022 0.0010 14 GLN A CA 118 C C . GLN A 17 ? 0.2454 0.3373 0.2012 0.0058 -0.0030 0.0028 14 GLN A C 119 O O . GLN A 17 ? 0.2491 0.3267 0.2029 0.0051 -0.0062 0.0060 14 GLN A O 120 C CB . GLN A 17 ? 0.1966 0.3021 0.1535 0.0030 0.0035 -0.0059 14 GLN A CB 121 C CG . GLN A 17 ? 0.3136 0.4051 0.2690 0.0058 0.0006 -0.0089 14 GLN A CG 122 C CD . GLN A 17 ? 0.4641 0.5614 0.4190 0.0072 0.0028 -0.0155 14 GLN A CD 123 O OE1 . GLN A 17 ? 0.4347 0.5481 0.3918 0.0095 0.0058 -0.0191 14 GLN A OE1 124 N NE2 . GLN A 17 ? 0.3500 0.4351 0.3019 0.0054 0.0011 -0.0169 14 GLN A NE2 125 N N . SER A 18 ? 0.2093 0.3109 0.1683 0.0107 -0.0042 0.0014 15 SER A N 126 C CA . SER A 18 ? 0.2234 0.3195 0.1837 0.0172 -0.0094 0.0028 15 SER A CA 127 C C . SER A 18 ? 0.3158 0.4007 0.2768 0.0245 -0.0136 -0.0017 15 SER A C 128 O O . SER A 18 ? 0.3257 0.3971 0.2856 0.0275 -0.0192 0.0012 15 SER A O 129 C CB . SER A 18 ? 0.2521 0.3636 0.2163 0.0205 -0.0099 0.0027 15 SER A CB 130 O OG . SER A 18 ? 0.3507 0.4753 0.3205 0.0272 -0.0093 -0.0034 15 SER A OG 131 N N . TYR A 19 ? 0.2765 0.3664 0.2386 0.0274 -0.0113 -0.0088 16 TYR A N 132 C CA . TYR A 19 ? 0.2858 0.3644 0.2470 0.0354 -0.0156 -0.0147 16 TYR A CA 133 C C . TYR A 19 ? 0.3494 0.4073 0.3058 0.0297 -0.0188 -0.0116 16 TYR A C 134 O O . TYR A 19 ? 0.3369 0.3951 0.2915 0.0222 -0.0153 -0.0106 16 TYR A O 135 C CB . TYR A 19 ? 0.2959 0.3883 0.2584 0.0402 -0.0117 -0.0232 16 TYR A CB 136 C CG . TYR A 19 ? 0.3252 0.4059 0.2850 0.0502 -0.0163 -0.0309 16 TYR A CG 137 C CD1 . TYR A 19 ? 0.3610 0.4423 0.3230 0.0624 -0.0206 -0.0349 16 TYR A CD1 138 C CD2 . TYR A 19 ? 0.3369 0.4048 0.2914 0.0478 -0.0174 -0.0342 16 TYR A CD2 139 C CE1 . TYR A 19 ? 0.3903 0.4581 0.3483 0.0729 -0.0258 -0.0429 16 TYR A CE1 140 C CE2 . TYR A 19 ? 0.3644 0.4186 0.3148 0.0571 -0.0229 -0.0417 16 TYR A CE2 141 C CZ . TYR A 19 ? 0.4721 0.5255 0.4237 0.0700 -0.0271 -0.0464 16 TYR A CZ 142 O OH . TYR A 19 ? 0.5074 0.5454 0.4533 0.0802 -0.0332 -0.0549 16 TYR A OH 143 N N . GLY A 20 ? 0.3255 0.3655 0.2802 0.0331 -0.0262 -0.0094 17 GLY A N 144 C CA . GLY A 20 ? 0.3327 0.3528 0.2835 0.0267 -0.0308 -0.0046 17 GLY A CA 145 C C . GLY A 20 ? 0.3852 0.3972 0.3356 0.0241 -0.0351 0.0049 17 GLY A C 146 O O . GLY A 20 ? 0.3999 0.3965 0.3490 0.0290 -0.0430 0.0053 17 GLY A O 147 N N . PRO A 21 ? 0.3205 0.3428 0.2714 0.0166 -0.0304 0.0127 18 PRO A N 148 C CA . PRO A 21 ? 0.2967 0.3351 0.2483 0.0114 -0.0219 0.0112 18 PRO A CA 149 C C . PRO A 21 ? 0.3367 0.3695 0.2866 0.0038 -0.0203 0.0130 18 PRO A C 150 O O . PRO A 21 ? 0.3389 0.3579 0.2874 0.0003 -0.0251 0.0178 18 PRO A O 151 C CB . PRO A 21 ? 0.3124 0.3600 0.2632 0.0077 -0.0191 0.0178 18 PRO A CB 152 C CG . PRO A 21 ? 0.3827 0.4174 0.3312 0.0051 -0.0243 0.0261 18 PRO A CG 153 C CD . PRO A 21 ? 0.3412 0.3621 0.2906 0.0125 -0.0320 0.0229 18 PRO A CD 154 N N . SER A 22 ? 0.2842 0.3284 0.2346 0.0011 -0.0142 0.0093 19 SER A N 155 C CA . SER A 22 ? 0.2736 0.3150 0.2231 -0.0055 -0.0123 0.0100 19 SER A CA 156 C C . SER A 22 ? 0.3099 0.3645 0.2594 -0.0107 -0.0053 0.0112 19 SER A C 157 O O . SER A 22 ? 0.2916 0.3577 0.2414 -0.0094 -0.0017 0.0095 19 SER A O 158 C CB . SER A 22 ? 0.3155 0.3501 0.2642 -0.0019 -0.0150 0.0020 19 SER A CB 159 O OG . SER A 22 ? 0.3985 0.4442 0.3481 0.0050 -0.0123 -0.0062 19 SER A OG 160 N N . GLY A 23 ? 0.2672 0.3191 0.2163 -0.0170 -0.0043 0.0144 20 GLY A N 161 C CA . GLY A 23 ? 0.2463 0.3090 0.1950 -0.0212 0.0017 0.0156 20 GLY A CA 162 C C . GLY A 23 ? 0.2790 0.3402 0.2282 -0.0258 0.0024 0.0149 20 GLY A C 163 O O . GLY A 23 ? 0.2854 0.3363 0.2350 -0.0268 -0.0021 0.0143 20 GLY A O 164 N N . GLN A 24 ? 0.2144 0.2849 0.1632 -0.0286 0.0073 0.0151 21 GLN A N 165 C CA . GLN A 24 ? 0.2015 0.2727 0.1510 -0.0329 0.0083 0.0151 21 GLN A CA 166 C C . GLN A 24 ? 0.2304 0.3099 0.1794 -0.0355 0.0128 0.0192 21 GLN A C 167 O O . GLN A 24 ? 0.2276 0.3127 0.1741 -0.0335 0.0154 0.0184 21 GLN A O 168 C CB . GLN A 24 ? 0.2093 0.2829 0.1578 -0.0313 0.0088 0.0073 21 GLN A CB 169 C CG . GLN A 24 ? 0.2706 0.3419 0.2192 -0.0354 0.0080 0.0066 21 GLN A CG 170 C CD . GLN A 24 ? 0.3548 0.4300 0.3013 -0.0338 0.0088 -0.0007 21 GLN A CD 171 O OE1 . GLN A 24 ? 0.2847 0.3542 0.2294 -0.0309 0.0056 -0.0060 21 GLN A OE1 172 N NE2 . GLN A 24 ? 0.1680 0.2525 0.1136 -0.0356 0.0127 -0.0010 21 GLN A NE2 173 N N . TYR A 25 ? 0.1665 0.2463 0.1176 -0.0397 0.0128 0.0234 22 TYR A N 174 C CA . TYR A 25 ? 0.1471 0.2351 0.0981 -0.0411 0.0167 0.0268 22 TYR A CA 175 C C . TYR A 25 ? 0.1942 0.2828 0.1475 -0.0446 0.0161 0.0261 22 TYR A C 176 O O . TYR A 25 ? 0.1993 0.2832 0.1556 -0.0482 0.0126 0.0283 22 TYR A O 177 C CB . TYR A 25 ? 0.1488 0.2410 0.1007 -0.0419 0.0180 0.0349 22 TYR A CB 178 C CG . TYR A 25 ? 0.1440 0.2456 0.0943 -0.0403 0.0225 0.0365 22 TYR A CG 179 C CD1 . TYR A 25 ? 0.1673 0.2742 0.1211 -0.0427 0.0234 0.0389 22 TYR A CD1 180 C CD2 . TYR A 25 ? 0.1432 0.2474 0.0878 -0.0359 0.0250 0.0347 22 TYR A CD2 181 C CE1 . TYR A 25 ? 0.1668 0.2814 0.1187 -0.0395 0.0270 0.0393 22 TYR A CE1 182 C CE2 . TYR A 25 ? 0.1495 0.2597 0.0909 -0.0330 0.0281 0.0349 22 TYR A CE2 183 C CZ . TYR A 25 ? 0.2347 0.3501 0.1799 -0.0343 0.0292 0.0371 22 TYR A CZ 184 O OH . TYR A 25 ? 0.2359 0.3566 0.1777 -0.0300 0.0319 0.0366 22 TYR A OH 185 N N . SER A 26 ? 0.1354 0.2289 0.0869 -0.0440 0.0187 0.0233 23 SER A N 186 C CA . SER A 26 ? 0.1321 0.2269 0.0852 -0.0471 0.0180 0.0228 23 SER A CA 187 C C . SER A 26 ? 0.1757 0.2764 0.1269 -0.0458 0.0209 0.0230 23 SER A C 188 O O . SER A 26 ? 0.1704 0.2717 0.1175 -0.0428 0.0226 0.0210 23 SER A O 189 C CB . SER A 26 ? 0.1677 0.2580 0.1191 -0.0478 0.0157 0.0164 23 SER A CB 190 O OG . SER A 26 ? 0.2883 0.3807 0.2360 -0.0450 0.0174 0.0117 23 SER A OG 191 N N . HIS A 27 ? 0.1204 0.2245 0.0744 -0.0481 0.0206 0.0253 24 HIS A N 192 C CA . HIS A 27 ? 0.1150 0.2227 0.0668 -0.0463 0.0221 0.0249 24 HIS A CA 193 C C . HIS A 27 ? 0.2090 0.3145 0.1597 -0.0495 0.0200 0.0215 24 HIS A C 194 O O . HIS A 27 ? 0.2378 0.3421 0.1912 -0.0530 0.0176 0.0215 24 HIS A O 195 C CB . HIS A 27 ? 0.1139 0.2294 0.0696 -0.0449 0.0236 0.0306 24 HIS A CB 196 C CG . HIS A 27 ? 0.1489 0.2687 0.1028 -0.0399 0.0267 0.0332 24 HIS A CG 197 N ND1 . HIS A 27 ? 0.1660 0.2950 0.1214 -0.0359 0.0291 0.0371 24 HIS A ND1 198 C CD2 . HIS A 27 ? 0.1634 0.2805 0.1137 -0.0379 0.0277 0.0324 24 HIS A CD2 199 C CE1 . HIS A 27 ? 0.1576 0.2891 0.1095 -0.0317 0.0317 0.0383 24 HIS A CE1 200 N NE2 . HIS A 27 ? 0.1609 0.2849 0.1096 -0.0331 0.0307 0.0357 24 HIS A NE2 201 N N . GLU A 28 ? 0.1549 0.2592 0.1006 -0.0486 0.0201 0.0186 25 GLU A N 202 C CA . GLU A 28 ? 0.1509 0.2545 0.0946 -0.0519 0.0183 0.0161 25 GLU A CA 203 C C . GLU A 28 ? 0.2043 0.3084 0.1463 -0.0515 0.0174 0.0180 25 GLU A C 204 O O . GLU A 28 ? 0.1784 0.2815 0.1183 -0.0475 0.0182 0.0191 25 GLU A O 205 C CB . GLU A 28 ? 0.1672 0.2700 0.1067 -0.0528 0.0183 0.0118 25 GLU A CB 206 C CG . GLU A 28 ? 0.3012 0.4034 0.2421 -0.0523 0.0184 0.0089 25 GLU A CG 207 C CD . GLU A 28 ? 0.5011 0.6058 0.4393 -0.0515 0.0190 0.0050 25 GLU A CD 208 O OE1 . GLU A 28 ? 0.3784 0.4861 0.3137 -0.0531 0.0192 0.0050 25 GLU A OE1 209 O OE2 . GLU A 28 ? 0.3700 0.4740 0.3094 -0.0493 0.0188 0.0024 25 GLU A OE2 210 N N . PHE A 29 ? 0.1796 0.2843 0.1216 -0.0550 0.0153 0.0182 26 PHE A N 211 C CA . PHE A 29 ? 0.1847 0.2889 0.1249 -0.0548 0.0134 0.0200 26 PHE A CA 212 C C . PHE A 29 ? 0.2509 0.3545 0.1873 -0.0599 0.0111 0.0185 26 PHE A C 213 O O . PHE A 29 ? 0.2589 0.3647 0.1969 -0.0630 0.0101 0.0178 26 PHE A O 214 C CB . PHE A 29 ? 0.2065 0.3151 0.1523 -0.0529 0.0130 0.0241 26 PHE A CB 215 C CG . PHE A 29 ? 0.2263 0.3334 0.1699 -0.0499 0.0110 0.0258 26 PHE A CG 216 C CD1 . PHE A 29 ? 0.2609 0.3653 0.2016 -0.0433 0.0119 0.0258 26 PHE A CD1 217 C CD2 . PHE A 29 ? 0.2504 0.3574 0.1936 -0.0531 0.0076 0.0271 26 PHE A CD2 218 C CE1 . PHE A 29 ? 0.2806 0.3811 0.2180 -0.0394 0.0090 0.0266 26 PHE A CE1 219 C CE2 . PHE A 29 ? 0.2874 0.3912 0.2281 -0.0499 0.0049 0.0288 26 PHE A CE2 220 C CZ . PHE A 29 ? 0.2703 0.3703 0.2082 -0.0427 0.0054 0.0283 26 PHE A CZ 221 N N . ASP A 30 ? 0.2135 0.3140 0.1443 -0.0611 0.0097 0.0183 27 ASP A N 222 C CA . ASP A 30 ? 0.2131 0.3146 0.1392 -0.0666 0.0076 0.0181 27 ASP A CA 223 C C . ASP A 30 ? 0.2556 0.3628 0.1815 -0.0691 0.0094 0.0145 27 ASP A C 224 O O . ASP A 30 ? 0.2589 0.3692 0.1830 -0.0723 0.0083 0.0138 27 ASP A O 225 C CB . ASP A 30 ? 0.2395 0.3403 0.1652 -0.0684 0.0042 0.0211 27 ASP A CB 226 C CG . ASP A 30 ? 0.3424 0.4367 0.2664 -0.0653 0.0013 0.0242 27 ASP A CG 227 O OD1 . ASP A 30 ? 0.3409 0.4296 0.2616 -0.0632 0.0010 0.0236 27 ASP A OD1 228 O OD2 . ASP A 30 ? 0.3915 0.4857 0.3170 -0.0647 -0.0013 0.0268 27 ASP A OD2 229 N N . GLY A 31 ? 0.2089 0.3172 0.1361 -0.0667 0.0120 0.0118 28 GLY A N 230 C CA . GLY A 31 ? 0.2084 0.3215 0.1353 -0.0667 0.0137 0.0076 28 GLY A CA 231 C C . GLY A 31 ? 0.2608 0.3721 0.1903 -0.0652 0.0134 0.0052 28 GLY A C 232 O O . GLY A 31 ? 0.2638 0.3772 0.1916 -0.0641 0.0139 0.0007 28 GLY A O 233 N N . ASP A 32 ? 0.2074 0.3149 0.1408 -0.0649 0.0120 0.0082 29 ASP A N 234 C CA . ASP A 32 ? 0.2039 0.3087 0.1404 -0.0650 0.0103 0.0073 29 ASP A CA 235 C C . ASP A 32 ? 0.2527 0.3551 0.1946 -0.0623 0.0114 0.0098 29 ASP A C 236 O O . ASP A 32 ? 0.2430 0.3468 0.1868 -0.0605 0.0130 0.0134 29 ASP A O 237 C CB . ASP A 32 ? 0.2265 0.3314 0.1641 -0.0684 0.0071 0.0100 29 ASP A CB 238 C CG . ASP A 32 ? 0.3546 0.4616 0.2860 -0.0716 0.0053 0.0075 29 ASP A CG 239 O OD1 . ASP A 32 ? 0.3687 0.4757 0.2954 -0.0712 0.0053 0.0022 29 ASP A OD1 240 O OD2 . ASP A 32 ? 0.4237 0.5325 0.3544 -0.0739 0.0037 0.0109 29 ASP A OD2 241 N N . GLU A 33 ? 0.2140 0.3123 0.1573 -0.0619 0.0099 0.0081 30 GLU A N 242 C CA . GLU A 33 ? 0.2077 0.3037 0.1557 -0.0604 0.0103 0.0113 30 GLU A CA 243 C C . GLU A 33 ? 0.2448 0.3427 0.1987 -0.0634 0.0084 0.0174 30 GLU A C 244 O O . GLU A 33 ? 0.2490 0.3448 0.2036 -0.0672 0.0045 0.0175 30 GLU A O 245 C CB . GLU A 33 ? 0.2314 0.3205 0.1779 -0.0591 0.0081 0.0071 30 GLU A CB 246 C CG . GLU A 33 ? 0.3675 0.4523 0.3183 -0.0589 0.0068 0.0112 30 GLU A CG 247 C CD . GLU A 33 ? 0.6782 0.7531 0.6270 -0.0576 0.0028 0.0071 30 GLU A CD 248 O OE1 . GLU A 33 ? 0.5811 0.6512 0.5254 -0.0575 -0.0002 0.0014 30 GLU A OE1 249 O OE2 . GLU A 33 ? 0.6762 0.7475 0.6270 -0.0561 0.0024 0.0097 30 GLU A OE2 250 N N . GLU A 34 ? 0.1883 0.2914 0.1461 -0.0614 0.0111 0.0226 31 GLU A N 251 C CA . GLU A 34 ? 0.1771 0.2865 0.1419 -0.0635 0.0103 0.0296 31 GLU A CA 252 C C . GLU A 34 ? 0.2177 0.3245 0.1866 -0.0663 0.0080 0.0332 31 GLU A C 253 O O . GLU A 34 ? 0.2365 0.3441 0.2101 -0.0715 0.0040 0.0372 31 GLU A O 254 C CB . GLU A 34 ? 0.1849 0.3024 0.1512 -0.0588 0.0144 0.0331 31 GLU A CB 255 C CG . GLU A 34 ? 0.2848 0.4019 0.2464 -0.0565 0.0149 0.0301 31 GLU A CG 256 C CD . GLU A 34 ? 0.4647 0.5868 0.4260 -0.0506 0.0177 0.0323 31 GLU A CD 257 O OE1 . GLU A 34 ? 0.5736 0.6954 0.5326 -0.0465 0.0204 0.0319 31 GLU A OE1 258 O OE2 . GLU A 34 ? 0.2827 0.4082 0.2452 -0.0495 0.0165 0.0339 31 GLU A OE2 259 N N . PHE A 35 ? 0.1376 0.2409 0.1046 -0.0635 0.0097 0.0322 32 PHE A N 260 C CA . PHE A 35 ? 0.1304 0.2293 0.1000 -0.0658 0.0072 0.0359 32 PHE A CA 261 C C . PHE A 35 ? 0.1600 0.2526 0.1250 -0.0616 0.0084 0.0318 32 PHE A C 262 O O . PHE A 35 ? 0.1396 0.2343 0.1007 -0.0571 0.0122 0.0278 32 PHE A O 263 C CB . PHE A 35 ? 0.1534 0.2637 0.1298 -0.0671 0.0093 0.0456 32 PHE A CB 264 C CG . PHE A 35 ? 0.1727 0.2907 0.1474 -0.0610 0.0152 0.0469 32 PHE A CG 265 C CD1 . PHE A 35 ? 0.2122 0.3257 0.1836 -0.0585 0.0162 0.0465 32 PHE A CD1 266 C CD2 . PHE A 35 ? 0.1975 0.3265 0.1733 -0.0572 0.0192 0.0486 32 PHE A CD2 267 C CE1 . PHE A 35 ? 0.2166 0.3363 0.1850 -0.0530 0.0210 0.0472 32 PHE A CE1 268 C CE2 . PHE A 35 ? 0.2369 0.3713 0.2094 -0.0508 0.0239 0.0490 32 PHE A CE2 269 C CZ . PHE A 35 ? 0.2123 0.3420 0.1807 -0.0491 0.0248 0.0482 32 PHE A CZ 270 N N . TYR A 36 ? 0.1332 0.2181 0.0991 -0.0634 0.0047 0.0337 33 TYR A N 271 C CA . TYR A 36 ? 0.1319 0.2113 0.0950 -0.0596 0.0050 0.0318 33 TYR A CA 272 C C . TYR A 36 ? 0.1989 0.2780 0.1659 -0.0630 0.0029 0.0407 33 TYR A C 273 O O . TYR A 36 ? 0.2014 0.2810 0.1731 -0.0692 -0.0007 0.0468 33 TYR A O 274 C CB . TYR A 36 ? 0.1532 0.2208 0.1115 -0.0571 0.0012 0.0236 33 TYR A CB 275 C CG . TYR A 36 ? 0.1989 0.2536 0.1575 -0.0609 -0.0065 0.0241 33 TYR A CG 276 C CD1 . TYR A 36 ? 0.2318 0.2768 0.1906 -0.0610 -0.0108 0.0272 33 TYR A CD1 277 C CD2 . TYR A 36 ? 0.2169 0.2673 0.1743 -0.0644 -0.0105 0.0213 33 TYR A CD2 278 C CE1 . TYR A 36 ? 0.2487 0.2787 0.2066 -0.0648 -0.0195 0.0277 33 TYR A CE1 279 C CE2 . TYR A 36 ? 0.2409 0.2768 0.1971 -0.0680 -0.0190 0.0212 33 TYR A CE2 280 C CZ . TYR A 36 ? 0.3332 0.3582 0.2897 -0.0683 -0.0238 0.0244 33 TYR A CZ 281 O OH . TYR A 36 ? 0.3794 0.3872 0.3336 -0.0721 -0.0337 0.0242 33 TYR A OH 282 N N . VAL A 37 ? 0.1599 0.2392 0.1253 -0.0595 0.0048 0.0423 34 VAL A N 283 C CA . VAL A 37 ? 0.1668 0.2458 0.1350 -0.0630 0.0026 0.0513 34 VAL A CA 284 C C . VAL A 37 ? 0.2533 0.3160 0.2187 -0.0624 -0.0037 0.0487 34 VAL A C 285 O O . VAL A 37 ? 0.2422 0.3006 0.2035 -0.0563 -0.0028 0.0417 34 VAL A O 286 C CB . VAL A 37 ? 0.2058 0.2970 0.1733 -0.0598 0.0086 0.0564 34 VAL A CB 287 C CG1 . VAL A 37 ? 0.2112 0.3017 0.1805 -0.0635 0.0059 0.0660 34 VAL A CG1 288 C CG2 . VAL A 37 ? 0.1956 0.3022 0.1657 -0.0595 0.0140 0.0594 34 VAL A CG2 289 N N . ASP A 38 ? 0.2572 0.3109 0.2252 -0.0688 -0.0109 0.0545 35 ASP A N 290 C CA . ASP A 38 ? 0.2796 0.3153 0.2446 -0.0684 -0.0186 0.0533 35 ASP A CA 291 C C . ASP A 38 ? 0.3353 0.3748 0.3007 -0.0680 -0.0171 0.0611 35 ASP A C 292 O O . ASP A 38 ? 0.3345 0.3797 0.3039 -0.0749 -0.0182 0.0724 35 ASP A O 293 C CB . ASP A 38 ? 0.3218 0.3443 0.2885 -0.0764 -0.0281 0.0569 35 ASP A CB 294 C CG . ASP A 38 ? 0.5099 0.5096 0.4720 -0.0748 -0.0378 0.0537 35 ASP A CG 295 O OD1 . ASP A 38 ? 0.5321 0.5278 0.4932 -0.0728 -0.0390 0.0577 35 ASP A OD1 296 O OD2 . ASP A 38 ? 0.6204 0.6055 0.5791 -0.0752 -0.0447 0.0473 35 ASP A OD2 297 N N . LEU A 39 ? 0.2943 0.3332 0.2557 -0.0603 -0.0143 0.0556 36 LEU A N 298 C CA . LEU A 39 ? 0.2880 0.3316 0.2482 -0.0586 -0.0123 0.0616 36 LEU A CA 299 C C . LEU A 39 ? 0.3825 0.4130 0.3427 -0.0628 -0.0206 0.0696 36 LEU A C 300 O O . LEU A 39 ? 0.3959 0.4330 0.3561 -0.0646 -0.0192 0.0785 36 LEU A O 301 C CB . LEU A 39 ? 0.2735 0.3189 0.2296 -0.0497 -0.0085 0.0531 36 LEU A CB 302 C CG . LEU A 39 ? 0.3065 0.3626 0.2619 -0.0462 -0.0017 0.0455 36 LEU A CG 303 C CD1 . LEU A 39 ? 0.3028 0.3585 0.2550 -0.0390 -0.0004 0.0373 36 LEU A CD1 304 C CD2 . LEU A 39 ? 0.3138 0.3853 0.2696 -0.0477 0.0049 0.0507 36 LEU A CD2 305 N N . GLU A 40 ? 0.3692 0.3811 0.3288 -0.0645 -0.0296 0.0669 37 GLU A N 306 C CA . GLU A 40 ? 0.3969 0.3926 0.3560 -0.0692 -0.0394 0.0746 37 GLU A CA 307 C C . GLU A 40 ? 0.4378 0.4375 0.4019 -0.0816 -0.0426 0.0877 37 GLU A C 308 O O . GLU A 40 ? 0.4297 0.4322 0.3952 -0.0875 -0.0446 0.1000 37 GLU A O 309 C CB . GLU A 40 ? 0.4367 0.4084 0.3916 -0.0647 -0.0490 0.0653 37 GLU A CB 310 C CG . GLU A 40 ? 0.6328 0.5988 0.5836 -0.0532 -0.0489 0.0570 37 GLU A CG 311 C CD . GLU A 40 ? 1.0316 1.0118 0.9817 -0.0445 -0.0396 0.0461 37 GLU A CD 312 O OE1 . GLU A 40 ? 1.0148 1.0009 0.9640 -0.0380 -0.0363 0.0443 37 GLU A OE1 313 O OE2 . GLU A 40 ? 1.0076 0.9931 0.9581 -0.0447 -0.0362 0.0398 37 GLU A OE2 314 N N . ARG A 41 ? 0.3901 0.3920 0.3572 -0.0860 -0.0429 0.0856 38 ARG A N 315 C CA . ARG A 41 ? 0.3912 0.3993 0.3645 -0.0981 -0.0461 0.0974 38 ARG A CA 316 C C . ARG A 41 ? 0.4227 0.4594 0.4014 -0.1004 -0.0357 0.1061 38 ARG A C 317 O O . ARG A 41 ? 0.4256 0.4721 0.4104 -0.1103 -0.0376 0.1191 38 ARG A O 318 C CB . ARG A 41 ? 0.3939 0.3949 0.3680 -0.1011 -0.0504 0.0911 38 ARG A CB 319 C CG . ARG A 41 ? 0.5501 0.5219 0.5194 -0.1033 -0.0640 0.0873 38 ARG A CG 320 C CD . ARG A 41 ? 0.7160 0.6816 0.6854 -0.1075 -0.0689 0.0823 38 ARG A CD 321 N NE . ARG A 41 ? 0.8673 0.8469 0.8452 -0.1201 -0.0698 0.0951 38 ARG A NE 322 C CZ . ARG A 41 ? 1.0881 1.0562 1.0685 -0.1323 -0.0814 0.1052 38 ARG A CZ 323 N NH1 . ARG A 41 ? 0.9720 0.9112 0.9458 -0.1334 -0.0941 0.1035 38 ARG A NH1 324 N NH2 . ARG A 41 ? 0.9088 0.8944 0.8984 -0.1436 -0.0812 0.1172 38 ARG A NH2 325 N N . LYS A 42 ? 0.3566 0.4070 0.3331 -0.0910 -0.0253 0.0993 39 LYS A N 326 C CA . LYS A 42 ? 0.3393 0.4153 0.3187 -0.0899 -0.0151 0.1043 39 LYS A CA 327 C C . LYS A 42 ? 0.3800 0.4675 0.3660 -0.0947 -0.0136 0.1061 39 LYS A C 328 O O . LYS A 42 ? 0.3825 0.4879 0.3747 -0.1005 -0.0113 0.1173 39 LYS A O 329 C CB . LYS A 42 ? 0.3817 0.4691 0.3621 -0.0940 -0.0138 0.1181 39 LYS A CB 330 C CG . LYS A 42 ? 0.6257 0.7028 0.5995 -0.0894 -0.0156 0.1173 39 LYS A CG 331 C CD . LYS A 42 ? 0.7657 0.8574 0.7395 -0.0931 -0.0131 0.1310 39 LYS A CD 332 C CE . LYS A 42 ? 0.9111 0.9927 0.8779 -0.0884 -0.0151 0.1303 39 LYS A CE 333 N NZ . LYS A 42 ? 1.0319 1.1289 0.9973 -0.0917 -0.0124 0.1437 39 LYS A NZ 334 N N . GLU A 43 ? 0.3184 0.3965 0.3031 -0.0924 -0.0154 0.0955 40 GLU A N 335 C CA . GLU A 43 ? 0.3096 0.3960 0.2999 -0.0968 -0.0153 0.0964 40 GLU A CA 336 C C . GLU A 43 ? 0.3146 0.4035 0.3018 -0.0891 -0.0098 0.0844 40 GLU A C 337 O O . GLU A 43 ? 0.3043 0.3806 0.2851 -0.0831 -0.0102 0.0738 40 GLU A O 338 C CB . GLU A 43 ? 0.3510 0.4200 0.3427 -0.1057 -0.0268 0.0981 40 GLU A CB 339 C CG . GLU A 43 ? 0.5696 0.6513 0.5701 -0.1151 -0.0289 0.1069 40 GLU A CG 340 C CD . GLU A 43 ? 1.0336 1.0965 1.0342 -0.1238 -0.0411 0.1069 40 GLU A CD 341 O OE1 . GLU A 43 ? 1.0167 1.0760 1.0161 -0.1228 -0.0424 0.0990 40 GLU A OE1 342 O OE2 . GLU A 43 ? 1.0761 1.1268 1.0773 -0.1319 -0.0502 0.1149 40 GLU A OE2 343 N N . THR A 44 ? 0.2457 0.3518 0.2378 -0.0896 -0.0050 0.0869 41 THR A N 344 C CA . THR A 44 ? 0.2252 0.3339 0.2150 -0.0839 -0.0009 0.0774 41 THR A CA 345 C C . THR A 44 ? 0.2842 0.3833 0.2754 -0.0895 -0.0078 0.0745 41 THR A C 346 O O . THR A 44 ? 0.2904 0.3943 0.2883 -0.0977 -0.0122 0.0828 41 THR A O 347 C CB . THR A 44 ? 0.2446 0.3749 0.2380 -0.0802 0.0070 0.0810 41 THR A CB 348 O OG1 . THR A 44 ? 0.2419 0.3801 0.2325 -0.0751 0.0125 0.0838 41 THR A OG1 349 C CG2 . THR A 44 ? 0.1725 0.3034 0.1628 -0.0744 0.0102 0.0719 41 THR A CG2 350 N N . VAL A 45 ? 0.2422 0.3288 0.2268 -0.0853 -0.0090 0.0631 42 VAL A N 351 C CA . VAL A 45 ? 0.2468 0.3238 0.2303 -0.0893 -0.0154 0.0586 42 VAL A CA 352 C C . VAL A 45 ? 0.3063 0.3916 0.2883 -0.0853 -0.0105 0.0527 42 VAL A C 353 O O . VAL A 45 ? 0.3004 0.3821 0.2760 -0.0788 -0.0071 0.0441 42 VAL A O 354 C CB . VAL A 45 ? 0.2980 0.3532 0.2738 -0.0876 -0.0220 0.0503 42 VAL A CB 355 C CG1 . VAL A 45 ? 0.2954 0.3403 0.2684 -0.0914 -0.0291 0.0453 42 VAL A CG1 356 C CG2 . VAL A 45 ? 0.3037 0.3485 0.2801 -0.0907 -0.0275 0.0563 42 VAL A CG2 357 N N . TRP A 46 ? 0.2778 0.3749 0.2660 -0.0893 -0.0104 0.0581 43 TRP A N 358 C CA . TRP A 46 ? 0.2753 0.3794 0.2623 -0.0861 -0.0070 0.0536 43 TRP A CA 359 C C . TRP A 46 ? 0.3499 0.4419 0.3316 -0.0887 -0.0130 0.0465 43 TRP A C 360 O O . TRP A 46 ? 0.3485 0.4306 0.3305 -0.0949 -0.0207 0.0477 43 TRP A O 361 C CB . TRP A 46 ? 0.2547 0.3772 0.2505 -0.0880 -0.0047 0.0621 43 TRP A CB 362 C CG . TRP A 46 ? 0.2584 0.3949 0.2570 -0.0825 0.0026 0.0669 43 TRP A CG 363 C CD1 . TRP A 46 ? 0.2966 0.4415 0.3004 -0.0847 0.0037 0.0757 43 TRP A CD1 364 C CD2 . TRP A 46 ? 0.2475 0.3921 0.2436 -0.0742 0.0092 0.0637 43 TRP A CD2 365 N NE1 . TRP A 46 ? 0.2823 0.4409 0.2862 -0.0773 0.0112 0.0774 43 TRP A NE1 366 C CE2 . TRP A 46 ? 0.2938 0.4512 0.2928 -0.0706 0.0142 0.0698 43 TRP A CE2 367 C CE3 . TRP A 46 ? 0.2569 0.3982 0.2475 -0.0696 0.0107 0.0564 43 TRP A CE3 368 C CZ2 . TRP A 46 ? 0.2790 0.4442 0.2748 -0.0616 0.0203 0.0676 43 TRP A CZ2 369 C CZ3 . TRP A 46 ? 0.2705 0.4189 0.2590 -0.0618 0.0160 0.0553 43 TRP A CZ3 370 C CH2 . TRP A 46 ? 0.2778 0.4370 0.2683 -0.0573 0.0206 0.0601 43 TRP A CH2 371 N N . GLN A 47 ? 0.3257 0.4182 0.3019 -0.0841 -0.0098 0.0391 44 GLN A N 372 C CA . GLN A 47 ? 0.3392 0.4221 0.3084 -0.0852 -0.0142 0.0315 44 GLN A CA 373 C C . GLN A 47 ? 0.3979 0.4859 0.3701 -0.0906 -0.0181 0.0344 44 GLN A C 374 O O . GLN A 47 ? 0.3952 0.4735 0.3625 -0.0940 -0.0244 0.0303 44 GLN A O 375 C CB . GLN A 47 ? 0.3543 0.4370 0.3159 -0.0786 -0.0092 0.0233 44 GLN A CB 376 C CG . GLN A 47 ? 0.5804 0.6588 0.5392 -0.0733 -0.0060 0.0200 44 GLN A CG 377 C CD . GLN A 47 ? 0.8065 0.8716 0.7635 -0.0742 -0.0116 0.0183 44 GLN A CD 378 O OE1 . GLN A 47 ? 0.7863 0.8413 0.7372 -0.0740 -0.0164 0.0117 44 GLN A OE1 379 N NE2 . GLN A 47 ? 0.6365 0.7010 0.5980 -0.0747 -0.0116 0.0241 44 GLN A NE2 380 N N . LEU A 48 ? 0.3681 0.4708 0.3478 -0.0909 -0.0148 0.0413 45 LEU A N 381 C CA . LEU A 48 ? 0.3753 0.4846 0.3592 -0.0957 -0.0188 0.0451 45 LEU A CA 382 C C . LEU A 48 ? 0.4618 0.5822 0.4577 -0.1014 -0.0211 0.0562 45 LEU A C 383 O O . LEU A 48 ? 0.4482 0.5765 0.4491 -0.0990 -0.0165 0.0614 45 LEU A O 384 C CB . LEU A 48 ? 0.3634 0.4817 0.3463 -0.0912 -0.0145 0.0439 45 LEU A CB 385 C CG . LEU A 48 ? 0.4120 0.5224 0.3840 -0.0883 -0.0137 0.0349 45 LEU A CG 386 C CD1 . LEU A 48 ? 0.4055 0.5239 0.3774 -0.0851 -0.0108 0.0360 45 LEU A CD1 387 C CD2 . LEU A 48 ? 0.4471 0.5479 0.4128 -0.0931 -0.0205 0.0302 45 LEU A CD2 388 N N . PRO A 49 ? 0.4655 0.5873 0.4657 -0.1093 -0.0285 0.0604 46 PRO A N 389 C CA . PRO A 49 ? 0.4738 0.6088 0.4867 -0.1160 -0.0311 0.0724 46 PRO A CA 390 C C . PRO A 49 ? 0.5156 0.6737 0.5380 -0.1112 -0.0241 0.0794 46 PRO A C 391 O O . PRO A 49 ? 0.5052 0.6765 0.5359 -0.1117 -0.0212 0.0878 46 PRO A O 392 C CB . PRO A 49 ? 0.5076 0.6380 0.5216 -0.1253 -0.0413 0.0740 46 PRO A CB 393 C CG . PRO A 49 ? 0.5702 0.6814 0.5701 -0.1232 -0.0443 0.0618 46 PRO A CG 394 C CD . PRO A 49 ? 0.4996 0.6124 0.4933 -0.1129 -0.0350 0.0550 46 PRO A CD 395 N N . LEU A 50 ? 0.4721 0.6351 0.4925 -0.1059 -0.0217 0.0758 47 LEU A N 396 C CA . LEU A 50 ? 0.4657 0.6481 0.4934 -0.0994 -0.0161 0.0806 47 LEU A CA 397 C C . LEU A 50 ? 0.4871 0.6762 0.5150 -0.0913 -0.0077 0.0814 47 LEU A C 398 O O . LEU A 50 ? 0.4806 0.6892 0.5178 -0.0886 -0.0041 0.0892 47 LEU A O 399 C CB . LEU A 50 ? 0.4689 0.6481 0.4904 -0.0942 -0.0156 0.0743 47 LEU A CB 400 C CG . LEU A 50 ? 0.5347 0.7322 0.5640 -0.0881 -0.0130 0.0794 47 LEU A CG 401 C CD1 . LEU A 50 ? 0.5452 0.7524 0.5829 -0.0949 -0.0199 0.0854 47 LEU A CD1 402 C CD2 . LEU A 50 ? 0.5717 0.7621 0.5919 -0.0795 -0.0099 0.0724 47 LEU A CD2 403 N N . PHE A 51 ? 0.4202 0.5943 0.4382 -0.0880 -0.0051 0.0740 48 PHE A N 404 C CA . PHE A 51 ? 0.3991 0.5763 0.4146 -0.0801 0.0022 0.0732 48 PHE A CA 405 C C . PHE A 51 ? 0.4315 0.6223 0.4553 -0.0821 0.0042 0.0826 48 PHE A C 406 O O . PHE A 51 ? 0.4099 0.6137 0.4357 -0.0752 0.0102 0.0854 48 PHE A O 407 C CB . PHE A 51 ? 0.4205 0.5792 0.4252 -0.0787 0.0028 0.0647 48 PHE A CB 408 C CG . PHE A 51 ? 0.4356 0.5841 0.4310 -0.0747 0.0033 0.0558 48 PHE A CG 409 C CD1 . PHE A 51 ? 0.4683 0.6225 0.4633 -0.0700 0.0049 0.0551 48 PHE A CD1 410 C CD2 . PHE A 51 ? 0.4697 0.6034 0.4568 -0.0757 0.0019 0.0485 48 PHE A CD2 411 C CE1 . PHE A 51 ? 0.4806 0.6254 0.4670 -0.0678 0.0047 0.0483 48 PHE A CE1 412 C CE2 . PHE A 51 ? 0.5038 0.6309 0.4829 -0.0730 0.0026 0.0415 48 PHE A CE2 413 C CZ . PHE A 51 ? 0.4735 0.6059 0.4522 -0.0697 0.0039 0.0419 48 PHE A CZ 414 N N . ARG A 52 ? 0.4037 0.5904 0.4311 -0.0917 -0.0012 0.0875 49 ARG A N 415 C CA . ARG A 52 ? 0.4069 0.6066 0.4423 -0.0956 -0.0003 0.0980 49 ARG A CA 416 C C . ARG A 52 ? 0.4466 0.6738 0.4942 -0.0951 0.0024 0.1081 49 ARG A C 417 O O . ARG A 52 ? 0.4439 0.6880 0.4966 -0.0932 0.0072 0.1157 49 ARG A O 418 C CB . ARG A 52 ? 0.4317 0.6191 0.4685 -0.1075 -0.0089 0.1019 49 ARG A CB 419 C CG . ARG A 52 ? 0.5863 0.7526 0.6132 -0.1064 -0.0099 0.0954 49 ARG A CG 420 C CD . ARG A 52 ? 0.7351 0.8966 0.7655 -0.1160 -0.0160 0.1039 49 ARG A CD 421 N NE . ARG A 52 ? 0.8496 1.0109 0.8771 -0.1123 -0.0115 0.1058 49 ARG A NE 422 C CZ . ARG A 52 ? 1.0238 1.1653 1.0418 -0.1090 -0.0125 0.0981 49 ARG A CZ 423 N NH1 . ARG A 52 ? 0.8352 0.9566 0.8454 -0.1080 -0.0170 0.0875 49 ARG A NH1 424 N NH2 . ARG A 52 ? 0.8555 0.9991 0.8717 -0.1062 -0.0087 0.1012 49 ARG A NH2 425 N N . ARG A 53 ? 0.3877 0.6206 0.4401 -0.0967 -0.0009 0.1086 50 ARG A N 426 C CA . ARG A 53 ? 0.3755 0.6360 0.4404 -0.0953 0.0012 0.1179 50 ARG A CA 427 C C . ARG A 53 ? 0.3967 0.6723 0.4607 -0.0813 0.0107 0.1166 50 ARG A C 428 O O . ARG A 53 ? 0.3995 0.7004 0.4730 -0.0790 0.0147 0.1256 50 ARG A O 429 C CB . ARG A 53 ? 0.3800 0.6417 0.4492 -0.0991 -0.0049 0.1177 50 ARG A CB 430 C CG . ARG A 53 ? 0.5134 0.8026 0.5937 -0.0931 -0.0018 0.1241 50 ARG A CG 431 C CD . ARG A 53 ? 0.6875 0.9795 0.7733 -0.0978 -0.0088 0.1254 50 ARG A CD 432 N NE . ARG A 53 ? 0.8504 1.1727 0.9490 -0.0914 -0.0054 0.1331 50 ARG A NE 433 C CZ . ARG A 53 ? 1.0380 1.3682 1.1407 -0.0874 -0.0077 0.1329 50 ARG A CZ 434 N NH1 . ARG A 53 ? 0.8778 1.2375 0.9926 -0.0799 -0.0038 0.1401 50 ARG A NH1 435 N NH2 . ARG A 53 ? 0.8419 1.1521 0.9367 -0.0902 -0.0137 0.1257 50 ARG A NH2 436 N N . PHE A 54 ? 0.3206 0.5812 0.3729 -0.0719 0.0138 0.1056 51 PHE A N 437 C CA . PHE A 54 ? 0.3029 0.5731 0.3519 -0.0578 0.0212 0.1026 51 PHE A CA 438 C C . PHE A 54 ? 0.3261 0.5849 0.3638 -0.0516 0.0261 0.0965 51 PHE A C 439 O O . PHE A 54 ? 0.3303 0.5960 0.3638 -0.0398 0.0318 0.0939 51 PHE A O 440 C CB . PHE A 54 ? 0.3246 0.5872 0.3690 -0.0510 0.0197 0.0952 51 PHE A CB 441 C CG . PHE A 54 ? 0.3438 0.6123 0.3967 -0.0574 0.0136 0.0992 51 PHE A CG 442 C CD1 . PHE A 54 ? 0.3860 0.6812 0.4533 -0.0585 0.0136 0.1095 51 PHE A CD1 443 C CD2 . PHE A 54 ? 0.3667 0.6159 0.4132 -0.0623 0.0077 0.0929 51 PHE A CD2 444 C CE1 . PHE A 54 ? 0.3990 0.7000 0.4745 -0.0650 0.0070 0.1136 51 PHE A CE1 445 C CE2 . PHE A 54 ? 0.4062 0.6607 0.4596 -0.0683 0.0015 0.0966 51 PHE A CE2 446 C CZ . PHE A 54 ? 0.3842 0.6639 0.4521 -0.0697 0.0009 0.1068 51 PHE A CZ 447 N N . ARG A 55 ? 0.2505 0.4911 0.2825 -0.0587 0.0235 0.0937 52 ARG A N 448 C CA . ARG A 55 ? 0.2278 0.4572 0.2493 -0.0533 0.0273 0.0880 52 ARG A CA 449 C C . ARG A 55 ? 0.2497 0.4772 0.2724 -0.0606 0.0265 0.0934 52 ARG A C 450 O O . ARG A 55 ? 0.2391 0.4617 0.2667 -0.0713 0.0206 0.0976 52 ARG A O 451 C CB . ARG A 55 ? 0.2073 0.4132 0.2177 -0.0516 0.0252 0.0767 52 ARG A CB 452 C CG . ARG A 55 ? 0.1979 0.4026 0.2055 -0.0449 0.0251 0.0716 52 ARG A CG 453 C CD . ARG A 55 ? 0.1859 0.3700 0.1849 -0.0474 0.0215 0.0631 52 ARG A CD 454 N NE . ARG A 55 ? 0.1926 0.3661 0.1811 -0.0410 0.0243 0.0564 52 ARG A NE 455 C CZ . ARG A 55 ? 0.2952 0.4543 0.2755 -0.0406 0.0224 0.0493 52 ARG A CZ 456 N NH1 . ARG A 55 ? 0.1441 0.2977 0.1246 -0.0456 0.0183 0.0477 52 ARG A NH1 457 N NH2 . ARG A 55 ? 0.1395 0.2902 0.1112 -0.0356 0.0243 0.0444 52 ARG A NH2 458 N N . ARG A 56 ? 0.1992 0.4290 0.2164 -0.0547 0.0316 0.0931 53 ARG A N 459 C CA . ARG A 56 ? 0.1948 0.4231 0.2119 -0.0604 0.0311 0.0986 53 ARG A CA 460 C C . ARG A 56 ? 0.2403 0.4584 0.2459 -0.0530 0.0348 0.0920 53 ARG A C 461 O O . ARG A 56 ? 0.2371 0.4643 0.2381 -0.0430 0.0405 0.0900 53 ARG A O 462 C CB . ARG A 56 ? 0.1818 0.4362 0.2091 -0.0634 0.0337 0.1119 53 ARG A CB 463 C CG . ARG A 56 ? 0.3671 0.6189 0.3963 -0.0731 0.0306 0.1203 53 ARG A CG 464 C CD . ARG A 56 ? 0.5440 0.8235 0.5796 -0.0734 0.0356 0.1330 53 ARG A CD 465 N NE . ARG A 56 ? 0.6894 0.9638 0.7236 -0.0810 0.0331 0.1402 53 ARG A NE 466 C CZ . ARG A 56 ? 0.8953 1.1647 0.9199 -0.0754 0.0367 0.1375 53 ARG A CZ 467 N NH1 . ARG A 56 ? 0.7741 1.0386 0.7980 -0.0831 0.0335 0.1451 53 ARG A NH1 468 N NH2 . ARG A 56 ? 0.7039 0.9719 0.7190 -0.0624 0.0428 0.1275 53 ARG A NH2 469 N N . PHE A 57 ? 0.1856 0.3850 0.1863 -0.0576 0.0311 0.0885 54 PHE A N 470 C CA . PHE A 57 ? 0.1726 0.3626 0.1635 -0.0522 0.0335 0.0834 54 PHE A CA 471 C C . PHE A 57 ? 0.2355 0.4260 0.2279 -0.0580 0.0320 0.0913 54 PHE A C 472 O O . PHE A 57 ? 0.2419 0.4240 0.2386 -0.0671 0.0259 0.0949 54 PHE A O 473 C CB . PHE A 57 ? 0.1838 0.3527 0.1675 -0.0511 0.0305 0.0723 54 PHE A CB 474 C CG . PHE A 57 ? 0.1918 0.3515 0.1664 -0.0464 0.0320 0.0673 54 PHE A CG 475 C CD1 . PHE A 57 ? 0.2222 0.3841 0.1894 -0.0377 0.0362 0.0625 54 PHE A CD1 476 C CD2 . PHE A 57 ? 0.2009 0.3487 0.1741 -0.0506 0.0284 0.0671 54 PHE A CD2 477 C CE1 . PHE A 57 ? 0.2274 0.3809 0.1863 -0.0341 0.0367 0.0582 54 PHE A CE1 478 C CE2 . PHE A 57 ? 0.2300 0.3707 0.1956 -0.0462 0.0294 0.0629 54 PHE A CE2 479 C CZ . PHE A 57 ? 0.2062 0.3503 0.1649 -0.0385 0.0336 0.0587 54 PHE A CZ 480 N N . ASP A 58 ? 0.1867 0.3856 0.1743 -0.0527 0.0367 0.0939 55 ASP A N 481 C CA . ASP A 58 ? 0.1847 0.3836 0.1728 -0.0584 0.0349 0.1020 55 ASP A CA 482 C C . ASP A 58 ? 0.2287 0.4056 0.2090 -0.0579 0.0314 0.0948 55 ASP A C 483 O O . ASP A 58 ? 0.2157 0.3871 0.1876 -0.0500 0.0342 0.0865 55 ASP A O 484 C CB . ASP A 58 ? 0.2087 0.4285 0.1952 -0.0540 0.0412 0.1096 55 ASP A CB 485 C CG . ASP A 58 ? 0.3599 0.5833 0.3501 -0.0632 0.0383 0.1218 55 ASP A CG 486 O OD1 . ASP A 58 ? 0.3537 0.5628 0.3374 -0.0638 0.0357 0.1203 55 ASP A OD1 487 O OD2 . ASP A 58 ? 0.4706 0.7101 0.4706 -0.0706 0.0375 0.1333 55 ASP A OD2 488 N N . PRO A 59 ? 0.1830 0.3477 0.1659 -0.0658 0.0248 0.0983 56 PRO A N 489 C CA . PRO A 59 ? 0.1728 0.3172 0.1497 -0.0650 0.0206 0.0918 56 PRO A CA 490 C C . PRO A 59 ? 0.1859 0.3299 0.1551 -0.0593 0.0234 0.0911 56 PRO A C 491 O O . PRO A 59 ? 0.1797 0.3105 0.1436 -0.0558 0.0217 0.0833 56 PRO A O 492 C CB . PRO A 59 ? 0.2047 0.3389 0.1865 -0.0746 0.0126 0.0985 56 PRO A CB 493 C CG . PRO A 59 ? 0.2645 0.4093 0.2549 -0.0812 0.0114 0.1049 56 PRO A CG 494 C CD . PRO A 59 ? 0.2016 0.3694 0.1939 -0.0761 0.0197 0.1074 56 PRO A CD 495 N N . GLN A 60 ? 0.1344 0.2943 0.1043 -0.0580 0.0264 0.0984 57 GLN A N 496 C CA . GLN A 60 ? 0.1305 0.2915 0.0976 -0.0511 0.0251 0.0953 57 GLN A CA 497 C C . GLN A 60 ? 0.1887 0.3474 0.1407 -0.0439 0.0340 0.0885 57 GLN A C 498 O O . GLN A 60 ? 0.2028 0.3541 0.1481 -0.0406 0.0332 0.0851 57 GLN A O 499 C CB . GLN A 60 ? 0.1433 0.3248 0.1081 -0.0537 0.0312 0.1097 57 GLN A CB 500 C CG . GLN A 60 ? 0.1896 0.3725 0.1415 -0.0512 0.0357 0.1141 57 GLN A CG 501 C CD . GLN A 60 ? 0.2910 0.4546 0.2408 -0.0547 0.0287 0.1139 57 GLN A CD 502 O OE1 . GLN A 60 ? 0.2400 0.3950 0.1823 -0.0491 0.0285 0.1070 57 GLN A OE1 503 N NE2 . GLN A 60 ? 0.0794 0.2406 0.0831 -0.0479 -0.0066 0.0881 57 GLN A NE2 504 N N . PHE A 61 ? 0.1376 0.3017 0.0905 -0.0398 0.0371 0.0831 58 PHE A N 505 C CA . PHE A 61 ? 0.1325 0.2908 0.0809 -0.0311 0.0368 0.0712 58 PHE A CA 506 C C . PHE A 61 ? 0.2128 0.3537 0.1556 -0.0330 0.0348 0.0649 58 PHE A C 507 O O . PHE A 61 ? 0.2215 0.3567 0.1569 -0.0286 0.0348 0.0592 58 PHE A O 508 C CB . PHE A 61 ? 0.1453 0.3112 0.0913 -0.0282 0.0422 0.0696 58 PHE A CB 509 C CG . PHE A 61 ? 0.1602 0.3452 0.1053 -0.0230 0.0478 0.0747 58 PHE A CG 510 C CD1 . PHE A 61 ? 0.1954 0.3852 0.1304 -0.0154 0.0511 0.0733 58 PHE A CD1 511 C CD2 . PHE A 61 ? 0.1748 0.3744 0.1290 -0.0253 0.0495 0.0810 58 PHE A CD2 512 C CE1 . PHE A 61 ? 0.2074 0.4162 0.1406 -0.0093 0.0566 0.0775 58 PHE A CE1 513 C CE2 . PHE A 61 ? 0.2098 0.4302 0.1637 -0.0194 0.0551 0.0858 58 PHE A CE2 514 C CZ . PHE A 61 ? 0.1944 0.4193 0.1374 -0.0108 0.0589 0.0836 58 PHE A CZ 515 N N . ALA A 62 ? 0.1703 0.3035 0.1198 -0.0388 0.0307 0.0645 59 ALA A N 516 C CA . ALA A 62 ? 0.1683 0.2872 0.1169 -0.0393 0.0267 0.0573 59 ALA A CA 517 C C . ALA A 62 ? 0.2349 0.3468 0.1807 -0.0390 0.0238 0.0587 59 ALA A C 518 O O . ALA A 62 ? 0.2351 0.3410 0.1769 -0.0356 0.0229 0.0525 59 ALA A O 519 C CB . ALA A 62 ? 0.1748 0.2876 0.1298 -0.0447 0.0229 0.0567 59 ALA A CB 520 N N . LEU A 63 ? 0.1818 0.2956 0.1301 -0.0430 0.0220 0.0678 60 LEU A N 521 C CA . LEU A 63 ? 0.1809 0.2880 0.1267 -0.0431 0.0186 0.0707 60 LEU A CA 522 C C . LEU A 63 ? 0.2249 0.3372 0.1627 -0.0374 0.0218 0.0697 60 LEU A C 523 O O . LEU A 63 ? 0.2041 0.3091 0.1386 -0.0352 0.0190 0.0674 60 LEU A O 524 C CB . LEU A 63 ? 0.1906 0.2986 0.1406 -0.0500 0.0154 0.0821 60 LEU A CB 525 C CG . LEU A 63 ? 0.2540 0.3533 0.2109 -0.0564 0.0099 0.0835 60 LEU A CG 526 C CD1 . LEU A 63 ? 0.2659 0.3731 0.2277 -0.0644 0.0084 0.0965 60 LEU A CD1 527 C CD2 . LEU A 63 ? 0.2975 0.3780 0.2535 -0.0560 0.0026 0.0792 60 LEU A CD2 528 N N . THR A 64 ? 0.1907 0.3158 0.1251 -0.0348 0.0272 0.0717 61 THR A N 529 C CA . THR A 64 ? 0.1922 0.3215 0.1171 -0.0286 0.0301 0.0691 61 THR A CA 530 C C . THR A 64 ? 0.2494 0.3709 0.1699 -0.0243 0.0294 0.0582 61 THR A C 531 O O . THR A 64 ? 0.2595 0.3774 0.1738 -0.0215 0.0279 0.0557 61 THR A O 532 C CB . THR A 64 ? 0.2672 0.4126 0.1881 -0.0253 0.0360 0.0736 61 THR A CB 533 O OG1 . THR A 64 ? 0.3001 0.4550 0.2245 -0.0300 0.0364 0.0852 61 THR A OG1 534 C CG2 . THR A 64 ? 0.2243 0.3713 0.1334 -0.0184 0.0379 0.0697 61 THR A CG2 535 N N . ASN A 65 ? 0.1945 0.3137 0.1183 -0.0246 0.0298 0.0526 62 ASN A N 536 C CA . ASN A 65 ? 0.1878 0.3003 0.1086 -0.0224 0.0285 0.0437 62 ASN A CA 537 C C . ASN A 65 ? 0.2275 0.3321 0.1508 -0.0238 0.0241 0.0414 62 ASN A C 538 O O . ASN A 65 ? 0.2321 0.3344 0.1509 -0.0215 0.0227 0.0377 62 ASN A O 539 C CB . ASN A 65 ? 0.1888 0.3005 0.1137 -0.0239 0.0291 0.0398 62 ASN A CB 540 C CG . ASN A 65 ? 0.3418 0.4589 0.2623 -0.0201 0.0324 0.0386 62 ASN A CG 541 O OD1 . ASN A 65 ? 0.2614 0.3849 0.1767 -0.0161 0.0349 0.0412 62 ASN A OD1 542 N ND2 . ASN A 65 ? 0.1557 0.2702 0.0779 -0.0207 0.0320 0.0343 62 ASN A ND2 543 N N . ILE A 66 ? 0.1676 0.2682 0.0976 -0.0273 0.0217 0.0441 63 ILE A N 544 C CA . ILE A 66 ? 0.1579 0.2510 0.0904 -0.0271 0.0174 0.0415 63 ILE A CA 545 C C . ILE A 66 ? 0.2131 0.3051 0.1416 -0.0247 0.0152 0.0441 63 ILE A C 546 O O . ILE A 66 ? 0.2062 0.2954 0.1348 -0.0223 0.0126 0.0400 63 ILE A O 547 C CB . ILE A 66 ? 0.1932 0.2796 0.1323 -0.0304 0.0141 0.0428 63 ILE A CB 548 C CG1 . ILE A 66 ? 0.1857 0.2729 0.1280 -0.0325 0.0155 0.0389 63 ILE A CG1 549 C CG2 . ILE A 66 ? 0.1985 0.2768 0.1394 -0.0280 0.0094 0.0389 63 ILE A CG2 550 C CD1 . ILE A 66 ? 0.1788 0.2678 0.1195 -0.0303 0.0170 0.0309 63 ILE A CD1 551 N N . ALA A 67 ? 0.1756 0.2716 0.1008 -0.0253 0.0164 0.0516 64 ALA A N 552 C CA . ALA A 67 ? 0.1778 0.2741 0.0975 -0.0230 0.0147 0.0546 64 ALA A CA 553 C C . ALA A 67 ? 0.2211 0.3200 0.1336 -0.0191 0.0157 0.0490 64 ALA A C 554 O O . ALA A 67 ? 0.2210 0.3176 0.1315 -0.0173 0.0125 0.0478 64 ALA A O 555 C CB . ALA A 67 ? 0.1939 0.2959 0.1107 -0.0249 0.0161 0.0644 64 ALA A CB 556 N N . VAL A 68 ? 0.1670 0.2700 0.0756 -0.0180 0.0193 0.0456 65 VAL A N 557 C CA . VAL A 68 ? 0.1616 0.2641 0.0632 -0.0151 0.0188 0.0396 65 VAL A CA 558 C C . VAL A 68 ? 0.2138 0.3125 0.1200 -0.0161 0.0155 0.0336 65 VAL A C 559 O O . VAL A 68 ? 0.2237 0.3217 0.1262 -0.0150 0.0127 0.0314 65 VAL A O 560 C CB . VAL A 68 ? 0.1989 0.3041 0.0951 -0.0132 0.0224 0.0370 65 VAL A CB 561 C CG1 . VAL A 68 ? 0.1952 0.2964 0.0835 -0.0111 0.0202 0.0304 65 VAL A CG1 562 C CG2 . VAL A 68 ? 0.1945 0.3072 0.0857 -0.0109 0.0261 0.0429 65 VAL A CG2 563 N N . LEU A 69 ? 0.1617 0.2591 0.0758 -0.0183 0.0159 0.0314 66 LEU A N 564 C CA . LEU A 69 ? 0.1553 0.2521 0.0743 -0.0190 0.0135 0.0262 66 LEU A CA 565 C C . LEU A 69 ? 0.2034 0.2998 0.1254 -0.0170 0.0097 0.0272 66 LEU A C 566 O O . LEU A 69 ? 0.1836 0.2831 0.1061 -0.0163 0.0075 0.0240 66 LEU A O 567 C CB . LEU A 69 ? 0.1491 0.2452 0.0750 -0.0211 0.0148 0.0241 66 LEU A CB 568 C CG . LEU A 69 ? 0.1943 0.2920 0.1189 -0.0230 0.0167 0.0203 66 LEU A CG 569 C CD1 . LEU A 69 ? 0.1904 0.2880 0.1114 -0.0231 0.0197 0.0228 66 LEU A CD1 570 C CD2 . LEU A 69 ? 0.1968 0.2953 0.1275 -0.0248 0.0166 0.0168 66 LEU A CD2 571 N N . LYS A 70 ? 0.1775 0.2702 0.1011 -0.0164 0.0085 0.0323 67 LYS A N 572 C CA . LYS A 70 ? 0.1796 0.2696 0.1054 -0.0139 0.0041 0.0343 67 LYS A CA 573 C C . LYS A 70 ? 0.2437 0.3372 0.1635 -0.0121 0.0023 0.0351 67 LYS A C 574 O O . LYS A 70 ? 0.2502 0.3456 0.1729 -0.0097 -0.0013 0.0333 67 LYS A O 575 C CB . LYS A 70 ? 0.2082 0.2920 0.1351 -0.0150 0.0026 0.0413 67 LYS A CB 576 C CG . LYS A 70 ? 0.2429 0.3217 0.1705 -0.0124 -0.0029 0.0448 67 LYS A CG 577 C CD . LYS A 70 ? 0.3256 0.3963 0.2541 -0.0150 -0.0055 0.0524 67 LYS A CD 578 C CE . LYS A 70 ? 0.4448 0.5085 0.3736 -0.0123 -0.0120 0.0563 67 LYS A CE 579 N NZ . LYS A 70 ? 0.5565 0.6098 0.4863 -0.0159 -0.0162 0.0642 67 LYS A NZ 580 N N . HIS A 71 ? 0.1970 0.2921 0.1082 -0.0129 0.0046 0.0375 68 HIS A N 581 C CA . HIS A 71 ? 0.1938 0.2910 0.0964 -0.0115 0.0028 0.0378 68 HIS A CA 582 C C . HIS A 71 ? 0.2331 0.3329 0.1356 -0.0120 0.0009 0.0315 68 HIS A C 583 O O . HIS A 71 ? 0.2345 0.3363 0.1362 -0.0112 -0.0032 0.0311 68 HIS A O 584 C CB . HIS A 71 ? 0.2052 0.3038 0.0978 -0.0111 0.0063 0.0407 68 HIS A CB 585 C CG . HIS A 71 ? 0.2511 0.3505 0.1322 -0.0090 0.0044 0.0393 68 HIS A CG 586 N ND1 . HIS A 71 ? 0.2777 0.3779 0.1532 -0.0076 0.0018 0.0441 68 HIS A ND1 587 C CD2 . HIS A 71 ? 0.2682 0.3662 0.1418 -0.0085 0.0039 0.0338 68 HIS A CD2 588 C CE1 . HIS A 71 ? 0.2727 0.3724 0.1372 -0.0060 0.0000 0.0407 68 HIS A CE1 589 N NE2 . HIS A 71 ? 0.2742 0.3718 0.1370 -0.0064 0.0008 0.0344 68 HIS A NE2 590 N N . ASN A 72 ? 0.1860 0.2857 0.0890 -0.0140 0.0035 0.0274 69 ASN A N 591 C CA . ASN A 72 ? 0.1752 0.2767 0.0776 -0.0162 0.0015 0.0225 69 ASN A CA 592 C C . ASN A 72 ? 0.2166 0.3241 0.1289 -0.0168 -0.0009 0.0209 69 ASN A C 593 O O . ASN A 72 ? 0.2198 0.3315 0.1318 -0.0181 -0.0048 0.0198 69 ASN A O 594 C CB . ASN A 72 ? 0.1572 0.2565 0.0586 -0.0183 0.0046 0.0197 69 ASN A CB 595 C CG . ASN A 72 ? 0.3772 0.4719 0.2673 -0.0166 0.0060 0.0196 69 ASN A CG 596 O OD1 . ASN A 72 ? 0.2124 0.3063 0.0946 -0.0137 0.0057 0.0218 69 ASN A OD1 597 N ND2 . ASN A 72 ? 0.2596 0.3516 0.1482 -0.0178 0.0074 0.0167 69 ASN A ND2 598 N N . LEU A 73 ? 0.1661 0.2745 0.0871 -0.0154 0.0008 0.0209 70 LEU A N 599 C CA . LEU A 73 ? 0.1628 0.2781 0.0930 -0.0140 -0.0008 0.0186 70 LEU A CA 600 C C . LEU A 73 ? 0.2411 0.3607 0.1726 -0.0112 -0.0053 0.0203 70 LEU A C 601 O O . LEU A 73 ? 0.2455 0.3748 0.1812 -0.0120 -0.0075 0.0186 70 LEU A O 602 C CB . LEU A 73 ? 0.1593 0.2716 0.0959 -0.0114 0.0008 0.0179 70 LEU A CB 603 C CG . LEU A 73 ? 0.2070 0.3269 0.1524 -0.0076 -0.0005 0.0143 70 LEU A CG 604 C CD1 . LEU A 73 ? 0.1994 0.3314 0.1478 -0.0106 0.0006 0.0109 70 LEU A CD1 605 C CD2 . LEU A 73 ? 0.2232 0.3366 0.1720 -0.0045 0.0001 0.0126 70 LEU A CD2 606 N N . ASN A 74 ? 0.2086 0.3223 0.1366 -0.0085 -0.0070 0.0245 71 ASN A N 607 C CA . ASN A 74 ? 0.2187 0.3354 0.1476 -0.0055 -0.0118 0.0268 71 ASN A CA 608 C C . ASN A 74 ? 0.2577 0.3796 0.1813 -0.0082 -0.0149 0.0266 71 ASN A C 609 O O . ASN A 74 ? 0.2612 0.3905 0.1890 -0.0067 -0.0192 0.0270 71 ASN A O 610 C CB . ASN A 74 ? 0.3135 0.4218 0.2385 -0.0032 -0.0132 0.0324 71 ASN A CB 611 C CG . ASN A 74 ? 0.8626 0.9657 0.7948 0.0003 -0.0139 0.0327 71 ASN A CG 612 O OD1 . ASN A 74 ? 0.8464 0.9514 0.7847 0.0052 -0.0178 0.0321 71 ASN A OD1 613 N ND2 . ASN A 74 ? 0.7984 0.8951 0.7305 -0.0017 -0.0105 0.0330 71 ASN A ND2 614 N N . ILE A 75 ? 0.2050 0.3229 0.1195 -0.0121 -0.0134 0.0256 72 ILE A N 615 C CA . ILE A 75 ? 0.2094 0.3287 0.1168 -0.0151 -0.0176 0.0248 72 ILE A CA 616 C C . ILE A 75 ? 0.2607 0.3889 0.1752 -0.0194 -0.0192 0.0218 72 ILE A C 617 O O . ILE A 75 ? 0.2622 0.3978 0.1787 -0.0213 -0.0244 0.0225 72 ILE A O 618 C CB . ILE A 75 ? 0.2500 0.3598 0.1433 -0.0161 -0.0161 0.0242 72 ILE A CB 619 C CG1 . ILE A 75 ? 0.2608 0.3664 0.1465 -0.0123 -0.0154 0.0285 72 ILE A CG1 620 C CG2 . ILE A 75 ? 0.2495 0.3572 0.1343 -0.0199 -0.0212 0.0215 72 ILE A CG2 621 C CD1 . ILE A 75 ? 0.3263 0.4256 0.1999 -0.0112 -0.0117 0.0283 72 ILE A CD1 622 N N . VAL A 76 ? 0.2077 0.3366 0.1266 -0.0212 -0.0150 0.0194 73 VAL A N 623 C CA . VAL A 76 ? 0.2003 0.3384 0.1255 -0.0261 -0.0158 0.0176 73 VAL A CA 624 C C . VAL A 76 ? 0.2697 0.4236 0.2079 -0.0236 -0.0167 0.0180 73 VAL A C 625 O O . VAL A 76 ? 0.2650 0.4310 0.2080 -0.0279 -0.0197 0.0185 73 VAL A O 626 C CB . VAL A 76 ? 0.2308 0.3648 0.1555 -0.0287 -0.0113 0.0153 73 VAL A CB 627 C CG1 . VAL A 76 ? 0.2257 0.3692 0.1552 -0.0351 -0.0129 0.0147 73 VAL A CG1 628 C CG2 . VAL A 76 ? 0.2264 0.3464 0.1387 -0.0293 -0.0107 0.0148 73 VAL A CG2 629 N N . ILE A 77 ? 0.2374 0.3916 0.1811 -0.0166 -0.0148 0.0180 74 ILE A N 630 C CA . ILE A 77 ? 0.2300 0.3984 0.1852 -0.0116 -0.0160 0.0175 74 ILE A CA 631 C C . ILE A 77 ? 0.2777 0.4555 0.2343 -0.0127 -0.0221 0.0204 74 ILE A C 632 O O . ILE A 77 ? 0.2781 0.4736 0.2439 -0.0134 -0.0237 0.0205 74 ILE A O 633 C CB . ILE A 77 ? 0.2687 0.4303 0.2267 -0.0031 -0.0148 0.0170 74 ILE A CB 634 C CG1 . ILE A 77 ? 0.2634 0.4180 0.2216 -0.0024 -0.0099 0.0140 74 ILE A CG1 635 C CG2 . ILE A 77 ? 0.2808 0.4558 0.2492 0.0042 -0.0175 0.0163 74 ILE A CG2 636 C CD1 . ILE A 77 ? 0.3092 0.4508 0.2665 0.0032 -0.0102 0.0147 74 ILE A CD1 637 N N . LYS A 78 ? 0.2320 0.3992 0.1791 -0.0132 -0.0255 0.0230 75 LYS A N 638 C CA . LYS A 78 ? 0.2414 0.4149 0.1877 -0.0146 -0.0322 0.0258 75 LYS A CA 639 C C . LYS A 78 ? 0.2871 0.4677 0.2323 -0.0236 -0.0356 0.0259 75 LYS A C 640 O O . LYS A 78 ? 0.2877 0.4836 0.2404 -0.0256 -0.0402 0.0279 75 LYS A O 641 C CB . LYS A 78 ? 0.2871 0.4465 0.2210 -0.0132 -0.0348 0.0283 75 LYS A CB 642 C CG . LYS A 78 ? 0.5153 0.6806 0.4478 -0.0138 -0.0423 0.0313 75 LYS A CG 643 C CD . LYS A 78 ? 0.6671 0.8187 0.5840 -0.0140 -0.0448 0.0333 75 LYS A CD 644 C CE . LYS A 78 ? 0.7584 0.9152 0.6731 -0.0145 -0.0528 0.0363 75 LYS A CE 645 N NZ . LYS A 78 ? 0.8569 1.0010 0.7552 -0.0137 -0.0548 0.0381 75 LYS A NZ 646 N N . ARG A 79 ? 0.2485 0.4182 0.1849 -0.0291 -0.0340 0.0241 76 ARG A N 647 C CA . ARG A 79 ? 0.2510 0.4221 0.1840 -0.0383 -0.0383 0.0244 76 ARG A CA 648 C C . ARG A 79 ? 0.3067 0.4971 0.2531 -0.0425 -0.0374 0.0252 76 ARG A C 649 O O . ARG A 79 ? 0.3103 0.5098 0.2588 -0.0504 -0.0432 0.0279 76 ARG A O 650 C CB . ARG A 79 ? 0.2488 0.4018 0.1691 -0.0410 -0.0364 0.0218 76 ARG A CB 651 C CG . ARG A 79 ? 0.3115 0.4570 0.2220 -0.0493 -0.0438 0.0218 76 ARG A CG 652 C CD . ARG A 79 ? 0.3335 0.4624 0.2332 -0.0507 -0.0417 0.0188 76 ARG A CD 653 N NE . ARG A 79 ? 0.3616 0.4763 0.2491 -0.0439 -0.0394 0.0167 76 ARG A NE 654 C CZ . ARG A 79 ? 0.5081 0.6125 0.3897 -0.0405 -0.0340 0.0144 76 ARG A CZ 655 N NH1 . ARG A 79 ? 0.2023 0.3071 0.0886 -0.0432 -0.0308 0.0134 76 ARG A NH1 656 N NH2 . ARG A 79 ? 0.4412 0.5366 0.3124 -0.0343 -0.0318 0.0135 76 ARG A NH2 657 N N . SER A 80 ? 0.2602 0.4570 0.2148 -0.0376 -0.0305 0.0233 77 SER A N 658 C CA . SER A 80 ? 0.2523 0.4695 0.2189 -0.0401 -0.0283 0.0238 77 SER A CA 659 C C . SER A 80 ? 0.3216 0.5610 0.3012 -0.0352 -0.0297 0.0255 77 SER A C 660 O O . SER A 80 ? 0.3233 0.5840 0.3136 -0.0365 -0.0279 0.0264 77 SER A O 661 C CB . SER A 80 ? 0.2826 0.4969 0.2509 -0.0361 -0.0206 0.0203 77 SER A CB 662 O OG . SER A 80 ? 0.3880 0.6020 0.3606 -0.0254 -0.0175 0.0179 77 SER A OG 663 N N . ASN A 81 ? 0.2850 0.5207 0.2637 -0.0291 -0.0331 0.0263 78 ASN A N 664 C CA . ASN A 81 ? 0.2890 0.5434 0.2794 -0.0223 -0.0352 0.0278 78 ASN A CA 665 C C . ASN A 81 ? 0.3295 0.5913 0.3285 -0.0116 -0.0289 0.0239 78 ASN A C 666 O O . ASN A 81 ? 0.3274 0.6124 0.3387 -0.0071 -0.0282 0.0239 78 ASN A O 667 C CB . ASN A 81 ? 0.3150 0.5936 0.3146 -0.0297 -0.0405 0.0324 78 ASN A CB 668 C CG . ASN A 81 ? 0.7527 1.0241 0.7447 -0.0368 -0.0492 0.0361 78 ASN A CG 669 O OD1 . ASN A 81 ? 0.7117 0.9724 0.6982 -0.0317 -0.0524 0.0363 78 ASN A OD1 670 N ND2 . ASN A 81 ? 0.6769 0.9536 0.6679 -0.0491 -0.0541 0.0393 78 ASN A ND2 671 N N . SER A 82 ? 0.2715 0.5131 0.2630 -0.0079 -0.0248 0.0206 79 SER A N 672 C CA . SER A 82 ? 0.2582 0.4980 0.2534 0.0017 -0.0201 0.0162 79 SER A CA 673 C C . SER A 82 ? 0.2760 0.5328 0.2785 0.0020 -0.0152 0.0133 79 SER A C 674 O O . SER A 82 ? 0.2698 0.5372 0.2796 0.0115 -0.0133 0.0101 79 SER A O 675 C CB . SER A 82 ? 0.3021 0.5434 0.3025 0.0130 -0.0232 0.0160 79 SER A CB 676 O OG . SER A 82 ? 0.4167 0.6436 0.4097 0.0119 -0.0279 0.0196 79 SER A OG 677 N N . THR A 83 ? 0.2083 0.4663 0.2076 -0.0081 -0.0134 0.0144 80 THR A N 678 C CA . THR A 83 ? 0.1949 0.4679 0.1992 -0.0092 -0.0085 0.0124 80 THR A CA 679 C C . THR A 83 ? 0.2405 0.4981 0.2401 -0.0033 -0.0038 0.0071 80 THR A C 680 O O . THR A 83 ? 0.2364 0.4732 0.2271 -0.0067 -0.0033 0.0069 80 THR A O 681 C CB . THR A 83 ? 0.2846 0.5593 0.2852 -0.0228 -0.0091 0.0160 80 THR A CB 682 O OG1 . THR A 83 ? 0.2807 0.5646 0.2836 -0.0300 -0.0152 0.0213 80 THR A OG1 683 C CG2 . THR A 83 ? 0.2374 0.5308 0.2436 -0.0247 -0.0045 0.0153 80 THR A CG2 684 N N . ALA A 84 ? 0.1949 0.4645 0.2007 0.0061 -0.0007 0.0028 81 ALA A N 685 C CA . ALA A 84 ? 0.1948 0.4511 0.1963 0.0120 0.0028 -0.0028 81 ALA A CA 686 C C . ALA A 84 ? 0.2552 0.5174 0.2548 0.0061 0.0075 -0.0041 81 ALA A C 687 O O . ALA A 84 ? 0.2485 0.5285 0.2516 -0.0013 0.0083 -0.0008 81 ALA A O 688 C CB . ALA A 84 ? 0.2086 0.4697 0.2151 0.0263 0.0026 -0.0080 81 ALA A CB 689 N N . ALA A 85 ? 0.2168 0.4625 0.2104 0.0087 0.0097 -0.0083 82 ALA A N 690 C CA . ALA A 85 ? 0.2134 0.4629 0.2044 0.0049 0.0139 -0.0104 82 ALA A CA 691 C C . ALA A 85 ? 0.2828 0.5580 0.2800 0.0113 0.0175 -0.0140 82 ALA A C 692 O O . ALA A 85 ? 0.2924 0.5756 0.2940 0.0228 0.0171 -0.0181 82 ALA A O 693 C CB . ALA A 85 ? 0.2220 0.4476 0.2055 0.0065 0.0145 -0.0138 82 ALA A CB 694 N N . THR A 86 ? 0.2313 0.5196 0.2281 0.0036 0.0207 -0.0123 83 THR A N 695 C CA . THR A 86 ? 0.2312 0.5452 0.2323 0.0082 0.0249 -0.0150 83 THR A CA 696 C C . THR A 86 ? 0.2927 0.5959 0.2863 0.0125 0.0279 -0.0215 83 THR A C 697 O O . THR A 86 ? 0.2949 0.5802 0.2816 0.0049 0.0277 -0.0203 83 THR A O 698 C CB . THR A 86 ? 0.3384 0.6747 0.3435 -0.0044 0.0258 -0.0074 83 THR A CB 699 O OG1 . THR A 86 ? 0.3381 0.6888 0.3514 -0.0062 0.0225 -0.0023 83 THR A OG1 700 C CG2 . THR A 86 ? 0.3235 0.6860 0.3308 -0.0024 0.0311 -0.0090 83 THR A CG2 701 N N . ASN A 87 ? 0.2524 0.5667 0.2471 0.0252 0.0302 -0.0286 84 ASN A N 702 C CA . ASN A 87 ? 0.2537 0.5578 0.2403 0.0311 0.0322 -0.0362 84 ASN A CA 703 C C . ASN A 87 ? 0.2877 0.6122 0.2724 0.0248 0.0372 -0.0349 84 ASN A C 704 O O . ASN A 87 ? 0.2674 0.6233 0.2580 0.0271 0.0407 -0.0339 84 ASN A O 705 C CB . ASN A 87 ? 0.2629 0.5681 0.2496 0.0490 0.0315 -0.0455 84 ASN A CB 706 C CG . ASN A 87 ? 0.5125 0.7936 0.4992 0.0559 0.0256 -0.0472 84 ASN A CG 707 O OD1 . ASN A 87 ? 0.4299 0.6829 0.4113 0.0507 0.0221 -0.0456 84 ASN A OD1 708 N ND2 . ASN A 87 ? 0.4067 0.6991 0.3992 0.0686 0.0242 -0.0504 84 ASN A ND2 709 N N . GLU A 88 ? 0.2527 0.5606 0.2295 0.0165 0.0373 -0.0343 85 GLU A N 710 C CA . GLU A 88 ? 0.2495 0.5719 0.2226 0.0097 0.0413 -0.0327 85 GLU A CA 711 C C . GLU A 88 ? 0.3007 0.6240 0.2667 0.0208 0.0436 -0.0424 85 GLU A C 712 O O . GLU A 88 ? 0.2991 0.6030 0.2614 0.0314 0.0409 -0.0500 85 GLU A O 713 C CB . GLU A 88 ? 0.2625 0.5657 0.2303 -0.0041 0.0395 -0.0271 85 GLU A CB 714 C CG . GLU A 88 ? 0.3901 0.6952 0.3625 -0.0165 0.0371 -0.0175 85 GLU A CG 715 C CD . GLU A 88 ? 0.6933 1.0268 0.6703 -0.0255 0.0389 -0.0102 85 GLU A CD 716 O OE1 . GLU A 88 ? 0.6765 1.0252 0.6506 -0.0272 0.0425 -0.0104 85 GLU A OE1 717 O OE2 . GLU A 88 ? 0.6032 0.9432 0.5861 -0.0320 0.0362 -0.0037 85 GLU A OE2 718 N N . VAL A 89 ? 0.2613 0.6059 0.2245 0.0181 0.0481 -0.0420 86 VAL A N 719 C CA . VAL A 89 ? 0.2695 0.6156 0.2239 0.0282 0.0503 -0.0515 86 VAL A CA 720 C C . VAL A 89 ? 0.3286 0.6506 0.2733 0.0198 0.0484 -0.0514 86 VAL A C 721 O O . VAL A 89 ? 0.3265 0.6548 0.2704 0.0069 0.0496 -0.0439 86 VAL A O 722 C CB . VAL A 89 ? 0.3187 0.7043 0.2744 0.0318 0.0567 -0.0518 86 VAL A CB 723 C CG1 . VAL A 89 ? 0.3269 0.7122 0.2709 0.0430 0.0587 -0.0627 86 VAL A CG1 724 C CG2 . VAL A 89 ? 0.3148 0.7265 0.2815 0.0406 0.0585 -0.0515 86 VAL A CG2 725 N N . PRO A 90 ? 0.2918 0.5860 0.2293 0.0265 0.0445 -0.0591 87 PRO A N 726 C CA . PRO A 90 ? 0.2897 0.5637 0.2191 0.0183 0.0424 -0.0584 87 PRO A CA 727 C C . PRO A 90 ? 0.3668 0.6547 0.2872 0.0195 0.0456 -0.0625 87 PRO A C 728 O O . PRO A 90 ? 0.3693 0.6757 0.2870 0.0309 0.0487 -0.0695 87 PRO A O 729 C CB . PRO A 90 ? 0.3173 0.5594 0.2429 0.0247 0.0365 -0.0645 87 PRO A CB 730 C CG . PRO A 90 ? 0.3851 0.6321 0.3125 0.0399 0.0359 -0.0720 87 PRO A CG 731 C CD . PRO A 90 ? 0.3226 0.6022 0.2589 0.0412 0.0410 -0.0681 87 PRO A CD 732 N N . GLU A 91 ? 0.3434 0.6232 0.2588 0.0082 0.0449 -0.0580 88 GLU A N 733 C CA . GLU A 91 ? 0.3552 0.6453 0.2610 0.0068 0.0472 -0.0603 88 GLU A CA 734 C C . GLU A 91 ? 0.4068 0.6690 0.3028 0.0090 0.0422 -0.0670 88 GLU A C 735 O O . GLU A 91 ? 0.4063 0.6458 0.3039 0.0014 0.0380 -0.0628 88 GLU A O 736 C CB . GLU A 91 ? 0.3655 0.6677 0.2730 -0.0088 0.0490 -0.0489 88 GLU A CB 737 C CG . GLU A 91 ? 0.5184 0.8504 0.4346 -0.0129 0.0532 -0.0414 88 GLU A CG 738 C CD . GLU A 91 ? 0.7985 1.1291 0.7204 -0.0286 0.0514 -0.0289 88 GLU A CD 739 O OE1 . GLU A 91 ? 0.8077 1.1217 0.7248 -0.0374 0.0485 -0.0252 88 GLU A OE1 740 O OE2 . GLU A 91 ? 0.6446 0.9907 0.5752 -0.0319 0.0523 -0.0230 88 GLU A OE2 741 N N . VAL A 92 ? 0.3586 0.6227 0.2444 0.0199 0.0422 -0.0776 89 VAL A N 742 C CA . VAL A 92 ? 0.3591 0.5958 0.2348 0.0223 0.0362 -0.0846 89 VAL A CA 743 C C . VAL A 92 ? 0.4078 0.6514 0.2726 0.0175 0.0372 -0.0853 89 VAL A C 744 O O . VAL A 92 ? 0.3996 0.6690 0.2592 0.0218 0.0424 -0.0879 89 VAL A O 745 C CB . VAL A 92 ? 0.4191 0.6434 0.2894 0.0388 0.0325 -0.0973 89 VAL A CB 746 C CG1 . VAL A 92 ? 0.4253 0.6176 0.2858 0.0393 0.0243 -0.1034 89 VAL A CG1 747 C CG2 . VAL A 92 ? 0.4114 0.6311 0.2927 0.0434 0.0315 -0.0956 89 VAL A CG2 748 N N . THR A 93 ? 0.3604 0.5824 0.2220 0.0084 0.0321 -0.0824 90 THR A N 749 C CA . THR A 93 ? 0.3585 0.5822 0.2096 0.0028 0.0314 -0.0825 90 THR A CA 750 C C . THR A 93 ? 0.4216 0.6146 0.2659 0.0035 0.0231 -0.0881 90 THR A C 751 O O . THR A 93 ? 0.4094 0.5820 0.2611 -0.0009 0.0187 -0.0841 90 THR A O 752 C CB . THR A 93 ? 0.3989 0.6326 0.2557 -0.0122 0.0338 -0.0694 90 THR A CB 753 O OG1 . THR A 93 ? 0.4001 0.6598 0.2643 -0.0136 0.0400 -0.0636 90 THR A OG1 754 C CG2 . THR A 93 ? 0.3602 0.5989 0.2062 -0.0181 0.0333 -0.0684 90 THR A CG2 755 N N . VAL A 94 ? 0.3964 0.5869 0.2262 0.0092 0.0206 -0.0972 91 VAL A N 756 C CA . VAL A 94 ? 0.4031 0.5649 0.2245 0.0096 0.0115 -0.1033 91 VAL A CA 757 C C . VAL A 94 ? 0.4322 0.5966 0.2440 0.0015 0.0101 -0.1014 91 VAL A C 758 O O . VAL A 94 ? 0.4394 0.6252 0.2424 0.0041 0.0149 -0.1038 91 VAL A O 759 C CB . VAL A 94 ? 0.4796 0.6288 0.2902 0.0254 0.0070 -0.1181 91 VAL A CB 760 C CG1 . VAL A 94 ? 0.4938 0.6094 0.2973 0.0237 -0.0043 -0.1227 91 VAL A CG1 761 C CG2 . VAL A 94 ? 0.4747 0.6255 0.2945 0.0347 0.0090 -0.1199 91 VAL A CG2 762 N N . PHE A 95 ? 0.3574 0.5016 0.1711 -0.0081 0.0034 -0.0966 92 PHE A N 763 C CA . PHE A 95 ? 0.3495 0.4934 0.1552 -0.0165 0.0005 -0.0939 92 PHE A CA 764 C C . PHE A 95 ? 0.4046 0.5207 0.2102 -0.0217 -0.0095 -0.0940 92 PHE A C 765 O O . PHE A 95 ? 0.3838 0.4844 0.1991 -0.0224 -0.0127 -0.0917 92 PHE A O 766 C CB . PHE A 95 ? 0.3476 0.5092 0.1617 -0.0281 0.0060 -0.0808 92 PHE A CB 767 C CG . PHE A 95 ? 0.3458 0.5006 0.1763 -0.0350 0.0063 -0.0708 92 PHE A CG 768 C CD1 . PHE A 95 ? 0.3674 0.5308 0.2075 -0.0315 0.0116 -0.0687 92 PHE A CD1 769 C CD2 . PHE A 95 ? 0.3657 0.5072 0.2016 -0.0446 0.0015 -0.0634 92 PHE A CD2 770 C CE1 . PHE A 95 ? 0.3625 0.5192 0.2159 -0.0371 0.0117 -0.0603 92 PHE A CE1 771 C CE2 . PHE A 95 ? 0.3881 0.5243 0.2379 -0.0494 0.0022 -0.0550 92 PHE A CE2 772 C CZ . PHE A 95 ? 0.3540 0.4975 0.2117 -0.0457 0.0073 -0.0537 92 PHE A CZ 773 N N . SER A 96 ? 0.3884 0.4988 0.1831 -0.0258 -0.0149 -0.0959 93 SER A N 774 C CA . SER A 96 ? 0.3968 0.4830 0.1922 -0.0324 -0.0251 -0.0946 93 SER A CA 775 C C . SER A 96 ? 0.4443 0.5330 0.2536 -0.0452 -0.0245 -0.0805 93 SER A C 776 O O . SER A 96 ? 0.4228 0.5301 0.2365 -0.0495 -0.0177 -0.0731 93 SER A O 777 C CB . SER A 96 ? 0.4582 0.5363 0.2358 -0.0313 -0.0323 -0.1028 93 SER A CB 778 O OG . SER A 96 ? 0.5763 0.6716 0.3490 -0.0376 -0.0291 -0.0979 93 SER A OG 779 N N . LYS A 97 ? 0.4118 0.4823 0.2276 -0.0510 -0.0320 -0.0769 94 LYS A N 780 C CA . LYS A 97 ? 0.3874 0.4593 0.2159 -0.0615 -0.0325 -0.0646 94 LYS A CA 781 C C . LYS A 97 ? 0.4570 0.5342 0.2796 -0.0686 -0.0355 -0.0612 94 LYS A C 782 O O . LYS A 97 ? 0.4471 0.5356 0.2767 -0.0744 -0.0318 -0.0521 94 LYS A O 783 C CB . LYS A 97 ? 0.4056 0.4589 0.2430 -0.0650 -0.0396 -0.0617 94 LYS A CB 784 C CG . LYS A 97 ? 0.4493 0.5069 0.3026 -0.0732 -0.0381 -0.0489 94 LYS A CG 785 C CD . LYS A 97 ? 0.4808 0.5237 0.3396 -0.0798 -0.0473 -0.0449 94 LYS A CD 786 C CE . LYS A 97 ? 0.4725 0.5183 0.3480 -0.0837 -0.0446 -0.0344 94 LYS A CE 787 N NZ . LYS A 97 ? 0.5024 0.5620 0.3860 -0.0888 -0.0409 -0.0251 94 LYS A NZ 788 N N . SER A 98 ? 0.4365 0.5044 0.2454 -0.0678 -0.0428 -0.0687 95 SER A N 789 C CA . SER A 98 ? 0.4451 0.5180 0.2469 -0.0743 -0.0462 -0.0659 95 SER A CA 790 C C . SER A 98 ? 0.5238 0.5992 0.3051 -0.0683 -0.0474 -0.0770 95 SER A C 791 O O . SER A 98 ? 0.5301 0.6022 0.3032 -0.0583 -0.0461 -0.0875 95 SER A O 792 C CB . SER A 98 ? 0.5036 0.5617 0.3106 -0.0825 -0.0564 -0.0614 95 SER A CB 793 O OG . SER A 98 ? 0.6714 0.7098 0.4711 -0.0791 -0.0645 -0.0703 95 SER A OG 794 N N . PRO A 99 ? 0.4933 0.5751 0.2657 -0.0735 -0.0500 -0.0751 96 PRO A N 795 C CA . PRO A 99 ? 0.5106 0.5960 0.2617 -0.0668 -0.0509 -0.0864 96 PRO A CA 796 C C . PRO A 99 ? 0.5665 0.6281 0.3066 -0.0609 -0.0607 -0.0988 96 PRO A C 797 O O . PRO A 99 ? 0.5596 0.6023 0.3055 -0.0671 -0.0702 -0.0963 96 PRO A O 798 C CB . PRO A 99 ? 0.5353 0.6289 0.2802 -0.0754 -0.0538 -0.0802 96 PRO A CB 799 C CG . PRO A 99 ? 0.5808 0.6658 0.3419 -0.0857 -0.0593 -0.0690 96 PRO A CG 800 C CD . PRO A 99 ? 0.5059 0.5920 0.2851 -0.0845 -0.0530 -0.0636 96 PRO A CD 801 N N . VAL A 100 ? 0.5318 0.5950 0.2566 -0.0486 -0.0584 -0.1118 97 VAL A N 802 C CA . VAL A 100 ? 0.5535 0.5932 0.2655 -0.0401 -0.0674 -0.1257 97 VAL A CA 803 C C . VAL A 100 ? 0.6195 0.6443 0.3147 -0.0438 -0.0795 -0.1313 97 VAL A C 804 O O . VAL A 100 ? 0.6299 0.6664 0.3085 -0.0413 -0.0781 -0.1361 97 VAL A O 805 C CB . VAL A 100 ? 0.6140 0.6630 0.3147 -0.0237 -0.0603 -0.1382 97 VAL A CB 806 C CG1 . VAL A 100 ? 0.6453 0.6689 0.3282 -0.0130 -0.0707 -0.1545 97 VAL A CG1 807 C CG2 . VAL A 100 ? 0.5889 0.6475 0.3071 -0.0203 -0.0511 -0.1332 97 VAL A CG2 808 N N . THR A 101 ? 0.5782 0.5773 0.2776 -0.0503 -0.0919 -0.1303 98 THR A N 809 C CA . THR A 101 ? 0.5988 0.5784 0.2829 -0.0544 -0.1060 -0.1361 98 THR A CA 810 C C . THR A 101 ? 0.6695 0.6195 0.3446 -0.0462 -0.1161 -0.1485 98 THR A C 811 O O . THR A 101 ? 0.6504 0.5867 0.3403 -0.0495 -0.1194 -0.1435 98 THR A O 812 C CB . THR A 101 ? 0.6536 0.6312 0.3512 -0.0709 -0.1127 -0.1221 98 THR A CB 813 O OG1 . THR A 101 ? 0.6158 0.6202 0.3228 -0.0762 -0.1024 -0.1107 98 THR A OG1 814 C CG2 . THR A 101 ? 0.6452 0.6056 0.3266 -0.0761 -0.1275 -0.1274 98 THR A CG2 815 N N . LEU A 102 ? 0.6523 0.5938 0.3027 -0.0343 -0.1203 -0.1648 99 LEU A N 816 C CA . LEU A 102 ? 0.6792 0.5910 0.3166 -0.0238 -0.1306 -0.1792 99 LEU A CA 817 C C . LEU A 102 ? 0.7346 0.6134 0.3740 -0.0354 -0.1487 -0.1764 99 LEU A C 818 O O . LEU A 102 ? 0.7416 0.6141 0.3740 -0.0452 -0.1582 -0.1746 99 LEU A O 819 C CB . LEU A 102 ? 0.7120 0.6234 0.3201 -0.0088 -0.1317 -0.1974 99 LEU A CB 820 C CG . LEU A 102 ? 0.7769 0.7012 0.3785 0.0107 -0.1207 -0.2085 99 LEU A CG 821 C CD1 . LEU A 102 ? 0.7417 0.7055 0.3594 0.0099 -0.1017 -0.1976 99 LEU A CD1 822 C CD2 . LEU A 102 ? 0.8465 0.7679 0.4175 0.0259 -0.1239 -0.2273 99 LEU A CD2 823 N N . GLY A 103 ? 0.6824 0.5420 0.3323 -0.0348 -0.1533 -0.1751 100 GLY A N 824 C CA . GLY A 103 ? 0.6918 0.5205 0.3460 -0.0461 -0.1703 -0.1710 100 GLY A CA 825 C C . GLY A 103 ? 0.7009 0.5397 0.3819 -0.0639 -0.1690 -0.1508 100 GLY A C 826 O O . GLY A 103 ? 0.7147 0.5331 0.4010 -0.0760 -0.1829 -0.1447 100 GLY A O 827 N N . GLN A 104 ? 0.6025 0.4729 0.3003 -0.0655 -0.1527 -0.1402 101 GLN A N 828 C CA . GLN A 104 ? 0.5636 0.4474 0.2860 -0.0802 -0.1496 -0.1217 101 GLN A CA 829 C C . GLN A 104 ? 0.5917 0.4879 0.3336 -0.0774 -0.1376 -0.1140 101 GLN A C 830 O O . GLN A 104 ? 0.5777 0.4845 0.3154 -0.0649 -0.1268 -0.1209 101 GLN A O 831 C CB . GLN A 104 ? 0.5567 0.4654 0.2809 -0.0865 -0.1435 -0.1149 101 GLN A CB 832 C CG . GLN A 104 ? 0.5460 0.4425 0.2563 -0.0941 -0.1576 -0.1176 101 GLN A CG 833 C CD . GLN A 104 ? 0.6683 0.5470 0.3897 -0.1084 -0.1721 -0.1086 101 GLN A CD 834 O OE1 . GLN A 104 ? 0.5799 0.4677 0.3241 -0.1170 -0.1690 -0.0943 101 GLN A OE1 835 N NE2 . GLN A 104 ? 0.6015 0.4552 0.3067 -0.1114 -0.1886 -0.1164 101 GLN A NE2 836 N N . PRO A 105 ? 0.5353 0.4312 0.2980 -0.0888 -0.1394 -0.0997 102 PRO A N 837 C CA . PRO A 105 ? 0.5111 0.4171 0.2910 -0.0861 -0.1289 -0.0927 102 PRO A CA 838 C C . PRO A 105 ? 0.5504 0.4856 0.3360 -0.0804 -0.1118 -0.0903 102 PRO A C 839 O O . PRO A 105 ? 0.5481 0.5013 0.3366 -0.0857 -0.1074 -0.0843 102 PRO A O 840 C CB . PRO A 105 ? 0.5179 0.4241 0.3177 -0.1007 -0.1336 -0.0768 102 PRO A CB 841 C CG . PRO A 105 ? 0.5970 0.4844 0.3890 -0.1099 -0.1498 -0.0775 102 PRO A CG 842 C CD . PRO A 105 ? 0.5558 0.4430 0.3271 -0.1044 -0.1516 -0.0895 102 PRO A CD 843 N N . ASN A 106 ? 0.4901 0.4292 0.2769 -0.0697 -0.1033 -0.0947 103 ASN A N 844 C CA . ASN A 106 ? 0.4640 0.4290 0.2562 -0.0641 -0.0880 -0.0926 103 ASN A CA 845 C C . ASN A 106 ? 0.5177 0.4823 0.3195 -0.0575 -0.0821 -0.0920 103 ASN A C 846 O O . ASN A 106 ? 0.5329 0.4763 0.3343 -0.0558 -0.0900 -0.0948 103 ASN A O 847 C CB . ASN A 106 ? 0.4704 0.4455 0.2444 -0.0544 -0.0836 -0.1042 103 ASN A CB 848 C CG . ASN A 106 ? 0.6228 0.6272 0.4011 -0.0544 -0.0704 -0.0988 103 ASN A CG 849 O OD1 . ASN A 106 ? 0.4267 0.4446 0.2205 -0.0567 -0.0619 -0.0896 103 ASN A OD1 850 N ND2 . ASN A 106 ? 0.5316 0.5460 0.2950 -0.0517 -0.0691 -0.1046 103 ASN A ND2 851 N N . THR A 107 ? 0.4506 0.4375 0.2608 -0.0545 -0.0692 -0.0877 104 THR A N 852 C CA . THR A 107 ? 0.4363 0.4264 0.2559 -0.0486 -0.0627 -0.0863 104 THR A CA 853 C C . THR A 107 ? 0.4715 0.4817 0.2861 -0.0385 -0.0517 -0.0921 104 THR A C 854 O O . THR A 107 ? 0.4563 0.4860 0.2702 -0.0411 -0.0450 -0.0889 104 THR A O 855 C CB . THR A 107 ? 0.5253 0.5231 0.3642 -0.0579 -0.0588 -0.0717 104 THR A CB 856 O OG1 . THR A 107 ? 0.5353 0.5202 0.3790 -0.0683 -0.0684 -0.0652 104 THR A OG1 857 C CG2 . THR A 107 ? 0.4866 0.4837 0.3349 -0.0531 -0.0543 -0.0697 104 THR A CG2 858 N N . LEU A 108 ? 0.4255 0.4312 0.2367 -0.0270 -0.0504 -0.1002 105 LEU A N 859 C CA . LEU A 108 ? 0.4135 0.4400 0.2222 -0.0169 -0.0401 -0.1051 105 LEU A CA 860 C C . LEU A 108 ? 0.4240 0.4618 0.2491 -0.0187 -0.0324 -0.0960 105 LEU A C 861 O O . LEU A 108 ? 0.4099 0.4334 0.2428 -0.0191 -0.0361 -0.0931 105 LEU A O 862 C CB . LEU A 108 ? 0.4396 0.4563 0.2348 -0.0018 -0.0434 -0.1198 105 LEU A CB 863 C CG . LEU A 108 ? 0.5161 0.5430 0.2936 0.0062 -0.0419 -0.1308 105 LEU A CG 864 C CD1 . LEU A 108 ? 0.5410 0.5563 0.3056 0.0229 -0.0457 -0.1459 105 LEU A CD1 865 C CD2 . LEU A 108 ? 0.5252 0.5861 0.3061 0.0058 -0.0290 -0.1261 105 LEU A CD2 866 N N . ILE A 109 ? 0.3629 0.4252 0.1928 -0.0207 -0.0226 -0.0906 106 ILE A N 867 C CA . ILE A 109 ? 0.3436 0.4175 0.1881 -0.0234 -0.0155 -0.0816 106 ILE A CA 868 C C . ILE A 109 ? 0.4043 0.4957 0.2486 -0.0134 -0.0079 -0.0862 106 ILE A C 869 O O . ILE A 109 ? 0.4024 0.5122 0.2395 -0.0101 -0.0030 -0.0897 106 ILE A O 870 C CB . ILE A 109 ? 0.3615 0.4479 0.2127 -0.0348 -0.0117 -0.0705 106 ILE A CB 871 C CG1 . ILE A 109 ? 0.3633 0.4350 0.2162 -0.0441 -0.0193 -0.0655 106 ILE A CG1 872 C CG2 . ILE A 109 ? 0.3472 0.4438 0.2115 -0.0371 -0.0053 -0.0620 106 ILE A CG2 873 C CD1 . ILE A 109 ? 0.4120 0.4946 0.2690 -0.0535 -0.0171 -0.0562 106 ILE A CD1 874 N N . CYS A 110 ? 0.3651 0.4524 0.2178 -0.0091 -0.0070 -0.0852 107 CYS A N 875 C CA . CYS A 110 ? 0.3657 0.4703 0.2207 -0.0001 -0.0003 -0.0882 107 CYS A CA 876 C C . CYS A 110 ? 0.3837 0.4993 0.2525 -0.0062 0.0052 -0.0776 107 CYS A C 877 O O . CYS A 110 ? 0.3745 0.4784 0.2513 -0.0070 0.0030 -0.0739 107 CYS A O 878 C CB . CYS A 110 ? 0.3935 0.4845 0.2445 0.0126 -0.0048 -0.0979 107 CYS A CB 879 S SG . CYS A 110 ? 0.4463 0.5616 0.2994 0.0260 0.0031 -0.1031 107 CYS A SG 880 N N . LEU A 111 ? 0.3128 0.4506 0.1834 -0.0107 0.0119 -0.0727 108 LEU A N 881 C CA . LEU A 111 ? 0.2894 0.4385 0.1709 -0.0167 0.0166 -0.0632 108 LEU A CA 882 C C . LEU A 111 ? 0.3252 0.4895 0.2109 -0.0087 0.0211 -0.0656 108 LEU A C 883 O O . LEU A 111 ? 0.3395 0.5233 0.2208 -0.0032 0.0252 -0.0698 108 LEU A O 884 C CB . LEU A 111 ? 0.2828 0.4464 0.1633 -0.0262 0.0199 -0.0563 108 LEU A CB 885 C CG . LEU A 111 ? 0.3265 0.5053 0.2153 -0.0321 0.0246 -0.0474 108 LEU A CG 886 C CD1 . LEU A 111 ? 0.3111 0.4761 0.2088 -0.0374 0.0226 -0.0405 108 LEU A CD1 887 C CD2 . LEU A 111 ? 0.3609 0.5547 0.2457 -0.0400 0.0269 -0.0422 108 LEU A CD2 888 N N . VAL A 112 ? 0.2458 0.4028 0.1402 -0.0078 0.0204 -0.0623 109 VAL A N 889 C CA . VAL A 112 ? 0.2289 0.4001 0.1290 -0.0011 0.0240 -0.0632 109 VAL A CA 890 C C . VAL A 112 ? 0.2482 0.4282 0.1572 -0.0104 0.0270 -0.0528 109 VAL A C 891 O O . VAL A 112 ? 0.2431 0.4088 0.1570 -0.0151 0.0246 -0.0476 109 VAL A O 892 C CB . VAL A 112 ? 0.2784 0.4346 0.1797 0.0091 0.0199 -0.0690 109 VAL A CB 893 C CG1 . VAL A 112 ? 0.2694 0.4440 0.1761 0.0174 0.0238 -0.0706 109 VAL A CG1 894 C CG2 . VAL A 112 ? 0.2971 0.4382 0.1878 0.0170 0.0147 -0.0792 109 VAL A CG2 895 N N . ASP A 113 ? 0.1824 0.3857 0.0925 -0.0137 0.0318 -0.0495 110 ASP A N 896 C CA . ASP A 113 ? 0.1658 0.3779 0.0824 -0.0232 0.0336 -0.0398 110 ASP A CA 897 C C . ASP A 113 ? 0.2167 0.4451 0.1406 -0.0194 0.0362 -0.0386 110 ASP A C 898 O O . ASP A 113 ? 0.2192 0.4595 0.1428 -0.0095 0.0380 -0.0449 110 ASP A O 899 C CB . ASP A 113 ? 0.1877 0.4142 0.1001 -0.0314 0.0358 -0.0354 110 ASP A CB 900 C CG . ASP A 113 ? 0.3103 0.5386 0.2269 -0.0430 0.0354 -0.0252 110 ASP A CG 901 O OD1 . ASP A 113 ? 0.3104 0.5265 0.2322 -0.0447 0.0333 -0.0219 110 ASP A OD1 902 O OD2 . ASP A 113 ? 0.3973 0.6380 0.3108 -0.0502 0.0365 -0.0205 110 ASP A OD2 903 N N . ASN A 114 ? 0.1670 0.3959 0.0972 -0.0268 0.0357 -0.0307 111 ASN A N 904 C CA . ASN A 114 ? 0.1601 0.4037 0.0978 -0.0260 0.0370 -0.0276 111 ASN A CA 905 C C . ASN A 114 ? 0.2032 0.4395 0.1443 -0.0149 0.0357 -0.0332 111 ASN A C 906 O O . ASN A 114 ? 0.2015 0.4548 0.1464 -0.0074 0.0376 -0.0360 111 ASN A O 907 C CB . ASN A 114 ? 0.1342 0.4084 0.0732 -0.0270 0.0411 -0.0260 111 ASN A CB 908 C CG . ASN A 114 ? 0.3493 0.6401 0.2968 -0.0304 0.0415 -0.0199 111 ASN A CG 909 O OD1 . ASN A 114 ? 0.2156 0.5273 0.1678 -0.0233 0.0441 -0.0223 111 ASN A OD1 910 N ND2 . ASN A 114 ? 0.2837 0.5654 0.2331 -0.0408 0.0384 -0.0123 111 ASN A ND2 911 N N . ILE A 115 ? 0.1473 0.3593 0.0871 -0.0143 0.0322 -0.0339 112 ILE A N 912 C CA . ILE A 115 ? 0.1462 0.3472 0.0884 -0.0058 0.0297 -0.0375 112 ILE A CA 913 C C . ILE A 115 ? 0.1865 0.3868 0.1352 -0.0089 0.0286 -0.0314 112 ILE A C 914 O O . ILE A 115 ? 0.1651 0.3547 0.1135 -0.0164 0.0273 -0.0260 112 ILE A O 915 C CB . ILE A 115 ? 0.1880 0.3638 0.1255 -0.0042 0.0258 -0.0406 112 ILE A CB 916 C CG1 . ILE A 115 ? 0.1905 0.3653 0.1205 -0.0017 0.0257 -0.0468 112 ILE A CG1 917 C CG2 . ILE A 115 ? 0.2136 0.3770 0.1528 0.0044 0.0222 -0.0439 112 ILE A CG2 918 C CD1 . ILE A 115 ? 0.2021 0.3527 0.1279 -0.0016 0.0208 -0.0489 112 ILE A CD1 919 N N . PHE A 116 ? 0.1541 0.3681 0.1079 -0.0026 0.0292 -0.0327 113 PHE A N 920 C CA . PHE A 116 ? 0.1518 0.3637 0.1109 -0.0027 0.0272 -0.0287 113 PHE A CA 921 C C . PHE A 116 ? 0.2218 0.4429 0.1857 0.0087 0.0266 -0.0329 113 PHE A C 922 O O . PHE A 116 ? 0.2163 0.4589 0.1827 0.0132 0.0294 -0.0354 113 PHE A O 923 C CB . PHE A 116 ? 0.1599 0.3835 0.1222 -0.0128 0.0279 -0.0212 113 PHE A CB 924 C CG . PHE A 116 ? 0.1721 0.3844 0.1361 -0.0154 0.0248 -0.0169 113 PHE A CG 925 C CD1 . PHE A 116 ? 0.2121 0.4040 0.1717 -0.0198 0.0231 -0.0146 113 PHE A CD1 926 C CD2 . PHE A 116 ? 0.1970 0.4194 0.1667 -0.0122 0.0235 -0.0155 113 PHE A CD2 927 C CE1 . PHE A 116 ? 0.2219 0.4042 0.1817 -0.0210 0.0206 -0.0111 113 PHE A CE1 928 C CE2 . PHE A 116 ? 0.2283 0.4395 0.1980 -0.0141 0.0204 -0.0118 113 PHE A CE2 929 C CZ . PHE A 116 ? 0.2019 0.3931 0.1662 -0.0183 0.0191 -0.0098 113 PHE A CZ 930 N N . PRO A 117 ? 0.1977 0.4043 0.1633 0.0138 0.0227 -0.0328 114 PRO A N 931 C CA . PRO A 117 ? 0.1912 0.3747 0.1535 0.0076 0.0201 -0.0288 114 PRO A CA 932 C C . PRO A 117 ? 0.2524 0.4160 0.2086 0.0086 0.0183 -0.0322 114 PRO A C 933 O O . PRO A 117 ? 0.2474 0.4127 0.2009 0.0147 0.0185 -0.0386 114 PRO A O 934 C CB . PRO A 117 ? 0.2154 0.3932 0.1811 0.0121 0.0166 -0.0268 114 PRO A CB 935 C CG . PRO A 117 ? 0.2814 0.4657 0.2495 0.0241 0.0156 -0.0330 114 PRO A CG 936 C CD . PRO A 117 ? 0.2277 0.4370 0.1981 0.0244 0.0201 -0.0350 114 PRO A CD 937 N N . PRO A 118 ? 0.2176 0.3634 0.1716 0.0028 0.0162 -0.0279 115 PRO A N 938 C CA . PRO A 118 ? 0.2240 0.3536 0.1732 0.0019 0.0143 -0.0301 115 PRO A CA 939 C C . PRO A 118 ? 0.2857 0.3989 0.2334 0.0096 0.0090 -0.0337 115 PRO A C 940 O O . PRO A 118 ? 0.2980 0.3948 0.2451 0.0067 0.0054 -0.0296 115 PRO A O 941 C CB . PRO A 118 ? 0.2389 0.3602 0.1875 -0.0074 0.0146 -0.0231 115 PRO A CB 942 C CG . PRO A 118 ? 0.2813 0.4053 0.2331 -0.0079 0.0144 -0.0184 115 PRO A CG 943 C CD . PRO A 118 ? 0.2223 0.3639 0.1776 -0.0037 0.0159 -0.0208 115 PRO A CD 944 N N . VAL A 119 ? 0.2351 0.3534 0.1819 0.0195 0.0082 -0.0411 116 VAL A N 945 C CA . VAL A 119 ? 0.2481 0.3502 0.1919 0.0289 0.0022 -0.0467 116 VAL A CA 946 C C . VAL A 119 ? 0.3196 0.4264 0.2579 0.0355 0.0029 -0.0560 116 VAL A C 947 O O . VAL A 119 ? 0.3080 0.4364 0.2481 0.0408 0.0074 -0.0596 116 VAL A O 948 C CB . VAL A 119 ? 0.2958 0.4004 0.2441 0.0376 -0.0002 -0.0468 116 VAL A CB 949 C CG1 . VAL A 119 ? 0.3148 0.3994 0.2589 0.0478 -0.0078 -0.0527 116 VAL A CG1 950 C CG2 . VAL A 119 ? 0.2807 0.3832 0.2332 0.0308 -0.0004 -0.0375 116 VAL A CG2 951 N N . VAL A 120 ? 0.3028 0.3915 0.2341 0.0345 -0.0014 -0.0595 117 VAL A N 952 C CA . VAL A 120 ? 0.3154 0.4079 0.2395 0.0409 -0.0010 -0.0690 117 VAL A CA 953 C C . VAL A 120 ? 0.4059 0.4710 0.3216 0.0437 -0.0096 -0.0744 117 VAL A C 954 O O . VAL A 120 ? 0.4059 0.4521 0.3218 0.0354 -0.0144 -0.0685 117 VAL A O 955 C CB . VAL A 120 ? 0.3499 0.4599 0.2732 0.0323 0.0056 -0.0669 117 VAL A CB 956 C CG1 . VAL A 120 ? 0.3433 0.4386 0.2643 0.0206 0.0034 -0.0618 117 VAL A CG1 957 C CG2 . VAL A 120 ? 0.3549 0.4796 0.2720 0.0404 0.0085 -0.0760 117 VAL A CG2 958 N N . ASN A 121 ? 0.3913 0.4553 0.2992 0.0556 -0.0117 -0.0856 118 ASN A N 959 C CA . ASN A 121 ? 0.4160 0.4542 0.3135 0.0598 -0.0206 -0.0930 118 ASN A CA 960 C C . ASN A 121 ? 0.4533 0.4996 0.3425 0.0588 -0.0178 -0.0990 118 ASN A C 961 O O . ASN A 121 ? 0.4542 0.5221 0.3411 0.0673 -0.0120 -0.1055 118 ASN A O 962 C CB . ASN A 121 ? 0.4972 0.5245 0.3903 0.0764 -0.0267 -0.1024 118 ASN A CB 963 C CG . ASN A 121 ? 0.9979 1.0137 0.8977 0.0778 -0.0313 -0.0966 118 ASN A CG 964 O OD1 . ASN A 121 ? 0.9110 0.9241 0.8180 0.0657 -0.0307 -0.0852 118 ASN A OD1 965 N ND2 . ASN A 121 ? 1.0491 1.0583 0.9462 0.0934 -0.0361 -0.1045 118 ASN A ND2 966 N N . ILE A 122 ? 0.3955 0.4278 0.2811 0.0478 -0.0214 -0.0957 119 ILE A N 967 C CA . ILE A 122 ? 0.3852 0.4225 0.2621 0.0457 -0.0200 -0.1007 119 ILE A CA 968 C C . ILE A 122 ? 0.4676 0.4749 0.3333 0.0478 -0.0314 -0.1075 119 ILE A C 969 O O . ILE A 122 ? 0.4600 0.4465 0.3281 0.0386 -0.0384 -0.1010 119 ILE A O 970 C CB . ILE A 122 ? 0.3927 0.4431 0.2748 0.0308 -0.0141 -0.0910 119 ILE A CB 971 C CG1 . ILE A 122 ? 0.3642 0.4401 0.2569 0.0278 -0.0047 -0.0836 119 ILE A CG1 972 C CG2 . ILE A 122 ? 0.4041 0.4613 0.2764 0.0301 -0.0129 -0.0967 119 ILE A CG2 973 C CD1 . ILE A 122 ? 0.4148 0.4946 0.3144 0.0132 -0.0016 -0.0721 119 ILE A CD1 974 N N . THR A 123 ? 0.4586 0.4640 0.3121 0.0605 -0.0337 -0.1206 120 THR A N 975 C CA . THR A 123 ? 0.4880 0.4627 0.3284 0.0642 -0.0459 -0.1290 120 THR A CA 976 C C . THR A 123 ? 0.5403 0.5207 0.3671 0.0675 -0.0452 -0.1386 120 THR A C 977 O O . THR A 123 ? 0.5260 0.5354 0.3526 0.0712 -0.0351 -0.1407 120 THR A O 978 C CB . THR A 123 ? 0.6482 0.6046 0.4841 0.0796 -0.0536 -0.1376 120 THR A CB 979 O OG1 . THR A 123 ? 0.6752 0.6556 0.5099 0.0953 -0.0458 -0.1459 120 THR A OG1 980 C CG2 . THR A 123 ? 0.6088 0.5512 0.4555 0.0745 -0.0579 -0.1275 120 THR A CG2 981 N N . TRP A 124 ? 0.5097 0.4626 0.3252 0.0651 -0.0565 -0.1434 121 TRP A N 982 C CA . TRP A 124 ? 0.5214 0.4749 0.3220 0.0674 -0.0579 -0.1526 121 TRP A CA 983 C C . TRP A 124 ? 0.6415 0.5726 0.4245 0.0839 -0.0678 -0.1690 121 TRP A C 984 O O . TRP A 124 ? 0.6539 0.5548 0.4346 0.0870 -0.0793 -0.1711 121 TRP A O 985 C CB . TRP A 124 ? 0.4953 0.4359 0.2959 0.0500 -0.0637 -0.1448 121 TRP A CB 986 C CG . TRP A 124 ? 0.4694 0.4342 0.2834 0.0359 -0.0536 -0.1314 121 TRP A CG 987 C CD1 . TRP A 124 ? 0.4831 0.4485 0.3124 0.0240 -0.0521 -0.1176 121 TRP A CD1 988 C CD2 . TRP A 124 ? 0.4524 0.4438 0.2647 0.0329 -0.0443 -0.1305 121 TRP A CD2 989 N NE1 . TRP A 124 ? 0.4465 0.4356 0.2833 0.0145 -0.0427 -0.1091 121 TRP A NE1 990 C CE2 . TRP A 124 ? 0.4687 0.4734 0.2957 0.0191 -0.0382 -0.1162 121 TRP A CE2 991 C CE3 . TRP A 124 ? 0.4771 0.4829 0.2764 0.0407 -0.0406 -0.1402 121 TRP A CE3 992 C CZ2 . TRP A 124 ? 0.4414 0.4700 0.2702 0.0125 -0.0299 -0.1113 121 TRP A CZ2 993 C CZ3 . TRP A 124 ? 0.4766 0.5086 0.2783 0.0333 -0.0316 -0.1343 121 TRP A CZ3 994 C CH2 . TRP A 124 ? 0.4566 0.4985 0.2730 0.0192 -0.0268 -0.1199 121 TRP A CH2 995 N N . LEU A 125 ? 0.6359 0.5813 0.4055 0.0944 -0.0638 -0.1805 122 LEU A N 996 C CA . LEU A 125 ? 0.6868 0.6132 0.4367 0.1119 -0.0726 -0.1981 122 LEU A CA 997 C C . LEU A 125 ? 0.7765 0.6964 0.5097 0.1085 -0.0770 -0.2048 122 LEU A C 998 O O . LEU A 125 ? 0.7538 0.6988 0.4898 0.0992 -0.0680 -0.1989 122 LEU A O 999 C CB . LEU A 125 ? 0.6949 0.6472 0.4419 0.1327 -0.0635 -0.2085 122 LEU A CB 1000 C CG . LEU A 125 ? 0.7459 0.7074 0.5073 0.1401 -0.0592 -0.2045 122 LEU A CG 1001 C CD1 . LEU A 125 ? 0.7484 0.7458 0.5088 0.1575 -0.0477 -0.2124 122 LEU A CD1 1002 C CD2 . LEU A 125 ? 0.8081 0.7305 0.5648 0.1486 -0.0737 -0.2102 122 LEU A CD2 1003 N N . SER A 126 ? 0.7864 0.6715 0.5017 0.1159 -0.0917 -0.2171 123 SER A N 1004 C CA . SER A 126 ? 0.8125 0.6870 0.5084 0.1153 -0.0982 -0.2262 123 SER A CA 1005 C C . SER A 126 ? 0.9105 0.7718 0.5845 0.1391 -0.1044 -0.2470 123 SER A C 1006 O O . SER A 126 ? 0.9346 0.7624 0.6027 0.1478 -0.1171 -0.2539 123 SER A O 1007 C CB . SER A 126 ? 0.8719 0.7126 0.5671 0.0977 -0.1128 -0.2193 123 SER A CB 1008 O OG . SER A 126 ? 1.0268 0.8607 0.7046 0.0951 -0.1185 -0.2265 123 SER A OG 1009 N N . ASN A 127 ? 0.8724 0.7622 0.5347 0.1507 -0.0947 -0.2567 124 ASN A N 1010 C CA . ASN A 127 ? 0.9047 0.7914 0.5453 0.1758 -0.0972 -0.2773 124 ASN A CA 1011 C C . ASN A 127 ? 0.9624 0.8530 0.6096 0.1946 -0.0946 -0.2826 124 ASN A C 1012 O O . ASN A 127 ? 0.9939 0.8717 0.6238 0.2170 -0.1005 -0.3002 124 ASN A O 1013 C CB . ASN A 127 ? 0.9562 0.7969 0.5732 0.1792 -0.1166 -0.2904 124 ASN A CB 1014 C CG . ASN A 127 ? 1.2473 1.0834 0.8559 0.1626 -0.1206 -0.2870 124 ASN A CG 1015 O OD1 . ASN A 127 ? 1.1850 1.0534 0.7898 0.1611 -0.1095 -0.2866 124 ASN A OD1 1016 N ND2 . ASN A 127 ? 1.1482 0.9434 0.7528 0.1501 -0.1378 -0.2846 124 ASN A ND2 1017 N N . GLY A 128 ? 0.8850 0.7934 0.5563 0.1860 -0.0860 -0.2676 125 GLY A N 1018 C CA . GLY A 128 ? 0.8810 0.7960 0.5621 0.2006 -0.0829 -0.2693 125 GLY A CA 1019 C C . GLY A 128 ? 0.9342 0.8147 0.6259 0.1936 -0.0944 -0.2615 125 GLY A C 1020 O O . GLY A 128 ? 0.9134 0.8050 0.6198 0.1983 -0.0895 -0.2562 125 GLY A O 1021 N N . HIS A 129 ? 0.9138 0.7530 0.5979 0.1818 -0.1101 -0.2602 126 HIS A N 1022 C CA . HIS A 129 ? 0.9203 0.7232 0.6123 0.1728 -0.1231 -0.2519 126 HIS A CA 1023 C C . HIS A 129 ? 0.9415 0.7568 0.6557 0.1479 -0.1169 -0.2303 126 HIS A C 1024 O O . HIS A 129 ? 0.9137 0.7518 0.6320 0.1351 -0.1082 -0.2235 126 HIS A O 1025 C CB . HIS A 129 ? 0.9723 0.7258 0.6448 0.1719 -0.1439 -0.2607 126 HIS A CB 1026 C CG . HIS A 129 ? 1.0579 0.7954 0.7060 0.1973 -0.1514 -0.2832 126 HIS A CG 1027 N ND1 . HIS A 129 ? 1.1017 0.8339 0.7285 0.2014 -0.1552 -0.2957 126 HIS A ND1 1028 C CD2 . HIS A 129 ? 1.1028 0.8304 0.7449 0.2203 -0.1553 -0.2951 126 HIS A CD2 1029 C CE1 . HIS A 129 ? 1.1322 0.8507 0.7399 0.2269 -0.1613 -0.3153 126 HIS A CE1 1030 N NE2 . HIS A 129 ? 1.1386 0.8541 0.7551 0.2396 -0.1615 -0.3158 126 HIS A NE2 1031 N N . SER A 130 ? 0.9013 0.7016 0.6290 0.1415 -0.1217 -0.2198 127 SER A N 1032 C CA . SER A 130 ? 0.8670 0.6801 0.6154 0.1202 -0.1154 -0.1999 127 SER A CA 1033 C C . SER A 130 ? 0.9296 0.7181 0.6781 0.0991 -0.1262 -0.1903 127 SER A C 1034 O O . SER A 130 ? 0.9529 0.7027 0.6908 0.0985 -0.1430 -0.1943 127 SER A O 1035 C CB . SER A 130 ? 0.9029 0.7147 0.6656 0.1224 -0.1147 -0.1920 127 SER A CB 1036 O OG . SER A 130 ? 1.0580 0.8283 0.8168 0.1209 -0.1317 -0.1910 127 SER A OG 1037 N N . VAL A 131 ? 0.8666 0.6787 0.6277 0.0819 -0.1166 -0.1771 128 VAL A N 1038 C CA . VAL A 131 ? 0.8655 0.6650 0.6311 0.0609 -0.1232 -0.1654 128 VAL A CA 1039 C C . VAL A 131 ? 0.9133 0.7191 0.6993 0.0478 -0.1195 -0.1478 128 VAL A C 1040 O O . VAL A 131 ? 0.8898 0.7244 0.6879 0.0497 -0.1058 -0.1425 128 VAL A O 1041 C CB . VAL A 131 ? 0.8955 0.7175 0.6592 0.0525 -0.1155 -0.1642 128 VAL A CB 1042 C CG1 . VAL A 131 ? 0.8956 0.7000 0.6603 0.0335 -0.1257 -0.1552 128 VAL A CG1 1043 C CG2 . VAL A 131 ? 0.9139 0.7407 0.6583 0.0681 -0.1144 -0.1816 128 VAL A CG2 1044 N N . THR A 132 ? 0.8876 0.6675 0.6769 0.0342 -0.1318 -0.1383 129 THR A N 1045 C CA . THR A 132 ? 0.8667 0.6522 0.6741 0.0217 -0.1290 -0.1213 129 THR A CA 1046 C C . THR A 132 ? 0.8918 0.6809 0.7079 0.0009 -0.1304 -0.1075 129 THR A C 1047 O O . THR A 132 ? 0.8553 0.6681 0.6868 -0.0079 -0.1198 -0.0950 129 THR A O 1048 C CB . THR A 132 ? 1.0148 0.7703 0.8213 0.0249 -0.1415 -0.1199 129 THR A CB 1049 O OG1 . THR A 132 ? 1.0470 0.7653 0.8386 0.0243 -0.1596 -0.1267 129 THR A OG1 1050 C CG2 . THR A 132 ? 1.0042 0.7654 0.8093 0.0442 -0.1365 -0.1286 129 THR A CG2 1051 N N . GLU A 133 ? 0.8569 0.6232 0.6632 -0.0063 -0.1436 -0.1098 130 GLU A N 1052 C CA . GLU A 133 ? 0.8350 0.6054 0.6496 -0.0256 -0.1461 -0.0970 130 GLU A CA 1053 C C . GLU A 133 ? 0.8263 0.6254 0.6420 -0.0276 -0.1343 -0.0981 130 GLU A C 1054 O O . GLU A 133 ? 0.8241 0.6293 0.6276 -0.0158 -0.1304 -0.1114 130 GLU A O 1055 C CB . GLU A 133 ? 0.8888 0.6241 0.6930 -0.0337 -0.1658 -0.0981 130 GLU A CB 1056 C CG . GLU A 133 ? 1.0401 0.7553 0.8527 -0.0445 -0.1767 -0.0852 130 GLU A CG 1057 C CD . GLU A 133 ? 1.4006 1.0737 1.1992 -0.0475 -0.1986 -0.0899 130 GLU A CD 1058 O OE1 . GLU A 133 ? 1.3853 1.0495 1.1855 -0.0638 -0.2086 -0.0817 130 GLU A OE1 1059 O OE2 . GLU A 133 ? 1.3612 1.0098 1.1468 -0.0331 -0.2063 -0.1020 130 GLU A OE2 1060 N N . GLY A 134 ? 0.7359 0.5530 0.5659 -0.0422 -0.1289 -0.0837 131 GLY A N 1061 C CA . GLY A 134 ? 0.7017 0.5456 0.5349 -0.0461 -0.1185 -0.0819 131 GLY A CA 1062 C C . GLY A 134 ? 0.6974 0.5708 0.5373 -0.0381 -0.1016 -0.0822 131 GLY A C 1063 O O . GLY A 134 ? 0.6775 0.5719 0.5169 -0.0384 -0.0930 -0.0833 131 GLY A O 1064 N N . VAL A 135 ? 0.6249 0.4995 0.4708 -0.0317 -0.0975 -0.0806 132 VAL A N 1065 C CA . VAL A 135 ? 0.5850 0.4853 0.4376 -0.0244 -0.0830 -0.0804 132 VAL A CA 1066 C C . VAL A 135 ? 0.5852 0.4992 0.4546 -0.0341 -0.0766 -0.0653 132 VAL A C 1067 O O . VAL A 135 ? 0.5838 0.4849 0.4591 -0.0391 -0.0825 -0.0577 132 VAL A O 1068 C CB . VAL A 135 ? 0.6452 0.5393 0.4914 -0.0083 -0.0828 -0.0910 132 VAL A CB 1069 C CG1 . VAL A 135 ? 0.6152 0.5369 0.4698 -0.0022 -0.0686 -0.0892 132 VAL A CG1 1070 C CG2 . VAL A 135 ? 0.6686 0.5519 0.4970 0.0033 -0.0881 -0.1071 132 VAL A CG2 1071 N N . SER A 136 ? 0.4992 0.4390 0.3753 -0.0364 -0.0650 -0.0610 133 SER A N 1072 C CA . SER A 136 ? 0.4606 0.4162 0.3508 -0.0432 -0.0573 -0.0486 133 SER A CA 1073 C C . SER A 136 ? 0.4588 0.4376 0.3515 -0.0366 -0.0449 -0.0507 133 SER A C 1074 O O . SER A 136 ? 0.4451 0.4309 0.3297 -0.0296 -0.0418 -0.0597 133 SER A O 1075 C CB . SER A 136 ? 0.5039 0.4654 0.4005 -0.0559 -0.0583 -0.0390 133 SER A CB 1076 O OG . SER A 136 ? 0.6440 0.6175 0.5360 -0.0562 -0.0545 -0.0429 133 SER A OG 1077 N N . GLU A 137 ? 0.3960 0.3865 0.2990 -0.0390 -0.0383 -0.0422 134 GLU A N 1078 C CA . GLU A 137 ? 0.3725 0.3837 0.2783 -0.0345 -0.0278 -0.0429 134 GLU A CA 1079 C C . GLU A 137 ? 0.3963 0.4190 0.3127 -0.0411 -0.0221 -0.0318 134 GLU A C 1080 O O . GLU A 137 ? 0.3965 0.4122 0.3187 -0.0462 -0.0253 -0.0241 134 GLU A O 1081 C CB . GLU A 137 ? 0.3931 0.4049 0.2963 -0.0231 -0.0259 -0.0499 134 GLU A CB 1082 C CG . GLU A 137 ? 0.5216 0.5216 0.4293 -0.0213 -0.0297 -0.0462 134 GLU A CG 1083 C CD . GLU A 137 ? 0.8661 0.8728 0.7742 -0.0107 -0.0260 -0.0509 134 GLU A CD 1084 O OE1 . GLU A 137 ? 0.8945 0.9081 0.8101 -0.0118 -0.0221 -0.0443 134 GLU A OE1 1085 O OE2 . GLU A 137 ? 0.8434 0.8497 0.7441 -0.0008 -0.0268 -0.0613 134 GLU A OE2 1086 N N . THR A 138 ? 0.3227 0.3632 0.2409 -0.0408 -0.0141 -0.0310 135 THR A N 1087 C CA . THR A 138 ? 0.2945 0.3459 0.2206 -0.0450 -0.0086 -0.0224 135 THR A CA 1088 C C . THR A 138 ? 0.3444 0.3969 0.2740 -0.0403 -0.0061 -0.0212 135 THR A C 1089 O O . THR A 138 ? 0.3442 0.3916 0.2705 -0.0334 -0.0079 -0.0273 135 THR A O 1090 C CB . THR A 138 ? 0.3112 0.3780 0.2360 -0.0462 -0.0026 -0.0226 135 THR A CB 1091 O OG1 . THR A 138 ? 0.2409 0.3164 0.1628 -0.0398 0.0013 -0.0282 135 THR A OG1 1092 C CG2 . THR A 138 ? 0.3228 0.3896 0.2429 -0.0502 -0.0051 -0.0244 135 THR A CG2 1093 N N . SER A 139 ? 0.2999 0.3599 0.2353 -0.0430 -0.0018 -0.0140 136 SER A N 1094 C CA . SER A 139 ? 0.2930 0.3563 0.2310 -0.0389 0.0010 -0.0128 136 SER A CA 1095 C C . SER A 139 ? 0.3338 0.4102 0.2699 -0.0350 0.0060 -0.0174 136 SER A C 1096 O O . SER A 139 ? 0.3335 0.4157 0.2659 -0.0357 0.0071 -0.0210 136 SER A O 1097 C CB . SER A 139 ? 0.3245 0.3915 0.2679 -0.0430 0.0034 -0.0040 136 SER A CB 1098 O OG . SER A 139 ? 0.4615 0.5197 0.4077 -0.0470 -0.0009 0.0015 136 SER A OG 1099 N N . PHE A 140 ? 0.2812 0.3629 0.2196 -0.0316 0.0085 -0.0165 137 PHE A N 1100 C CA . PHE A 140 ? 0.2690 0.3649 0.2069 -0.0297 0.0128 -0.0188 137 PHE A CA 1101 C C . PHE A 140 ? 0.3222 0.4242 0.2608 -0.0360 0.0156 -0.0136 137 PHE A C 1102 O O . PHE A 140 ? 0.3224 0.4223 0.2633 -0.0379 0.0163 -0.0084 137 PHE A O 1103 C CB . PHE A 140 ? 0.2841 0.3836 0.2246 -0.0248 0.0136 -0.0188 137 PHE A CB 1104 C CG . PHE A 140 ? 0.3103 0.4052 0.2499 -0.0169 0.0106 -0.0247 137 PHE A CG 1105 C CD1 . PHE A 140 ? 0.3544 0.4596 0.2920 -0.0112 0.0121 -0.0315 137 PHE A CD1 1106 C CD2 . PHE A 140 ? 0.3386 0.4192 0.2791 -0.0147 0.0061 -0.0233 137 PHE A CD2 1107 C CE1 . PHE A 140 ? 0.3774 0.4780 0.3135 -0.0019 0.0091 -0.0378 137 PHE A CE1 1108 C CE2 . PHE A 140 ? 0.3832 0.4569 0.3220 -0.0064 0.0022 -0.0290 137 PHE A CE2 1109 C CZ . PHE A 140 ? 0.3678 0.4511 0.3042 0.0006 0.0037 -0.0368 137 PHE A CZ 1110 N N . LEU A 141 ? 0.2702 0.3783 0.2059 -0.0389 0.0168 -0.0151 138 LEU A N 1111 C CA . LEU A 141 ? 0.2583 0.3702 0.1939 -0.0445 0.0183 -0.0104 138 LEU A CA 1112 C C . LEU A 141 ? 0.2914 0.4134 0.2270 -0.0451 0.0206 -0.0095 138 LEU A C 1113 O O . LEU A 141 ? 0.2900 0.4219 0.2247 -0.0433 0.0218 -0.0128 138 LEU A O 1114 C CB . LEU A 141 ? 0.2671 0.3800 0.1993 -0.0481 0.0174 -0.0114 138 LEU A CB 1115 C CG . LEU A 141 ? 0.3371 0.4399 0.2698 -0.0495 0.0141 -0.0107 138 LEU A CG 1116 C CD1 . LEU A 141 ? 0.3482 0.4500 0.2759 -0.0489 0.0119 -0.0163 138 LEU A CD1 1117 C CD2 . LEU A 141 ? 0.3808 0.4831 0.3154 -0.0542 0.0139 -0.0049 138 LEU A CD2 1118 N N . SER A 142 ? 0.2413 0.3612 0.1778 -0.0472 0.0208 -0.0049 139 SER A N 1119 C CA . SER A 142 ? 0.2335 0.3600 0.1696 -0.0488 0.0214 -0.0032 139 SER A CA 1120 C C . SER A 142 ? 0.2760 0.4109 0.2094 -0.0540 0.0215 -0.0022 139 SER A C 1121 O O . SER A 142 ? 0.2741 0.4074 0.2053 -0.0567 0.0210 -0.0018 139 SER A O 1122 C CB . SER A 142 ? 0.2731 0.3925 0.2086 -0.0494 0.0207 0.0007 139 SER A CB 1123 O OG . SER A 142 ? 0.3880 0.5034 0.3211 -0.0527 0.0198 0.0033 139 SER A OG 1124 N N . LYS A 143 ? 0.2266 0.3708 0.1604 -0.0559 0.0216 -0.0011 140 LYS A N 1125 C CA . LYS A 143 ? 0.2168 0.3707 0.1486 -0.0623 0.0211 0.0016 140 LYS A CA 1126 C C . LYS A 143 ? 0.2580 0.4102 0.1892 -0.0664 0.0184 0.0058 140 LYS A C 1127 O O . LYS A 143 ? 0.2369 0.3871 0.1701 -0.0632 0.0181 0.0052 140 LYS A O 1128 C CB . LYS A 143 ? 0.2345 0.4058 0.1679 -0.0609 0.0236 -0.0011 140 LYS A CB 1129 C CG . LYS A 143 ? 0.2694 0.4419 0.2007 -0.0572 0.0254 -0.0060 140 LYS A CG 1130 C CD . LYS A 143 ? 0.2650 0.4563 0.1969 -0.0539 0.0282 -0.0096 140 LYS A CD 1131 C CE . LYS A 143 ? 0.2982 0.5061 0.2283 -0.0612 0.0291 -0.0051 140 LYS A CE 1132 N NZ . LYS A 143 ? 0.3753 0.6057 0.3070 -0.0570 0.0326 -0.0081 140 LYS A NZ 1133 N N . SER A 144 ? 0.2253 0.3774 0.1531 -0.0737 0.0155 0.0102 141 SER A N 1134 C CA . SER A 144 ? 0.2273 0.3747 0.1528 -0.0788 0.0111 0.0143 141 SER A CA 1135 C C . SER A 144 ? 0.2761 0.4366 0.2055 -0.0804 0.0108 0.0153 141 SER A C 1136 O O . SER A 144 ? 0.2709 0.4255 0.1987 -0.0828 0.0068 0.0175 141 SER A O 1137 C CB . SER A 144 ? 0.2825 0.4275 0.2034 -0.0870 0.0072 0.0192 141 SER A CB 1138 O OG . SER A 144 ? 0.4273 0.5903 0.3499 -0.0930 0.0081 0.0220 141 SER A OG 1139 N N . ASP A 145 ? 0.2353 0.4141 0.1695 -0.0786 0.0147 0.0136 142 ASP A N 1140 C CA . ASP A 145 ? 0.2318 0.4274 0.1714 -0.0792 0.0150 0.0147 142 ASP A CA 1141 C C . ASP A 145 ? 0.2751 0.4686 0.2184 -0.0699 0.0168 0.0101 142 ASP A C 1142 O O . ASP A 145 ? 0.2725 0.4799 0.2210 -0.0685 0.0171 0.0103 142 ASP A O 1143 C CB . ASP A 145 ? 0.2537 0.4730 0.1963 -0.0811 0.0184 0.0154 142 ASP A CB 1144 C CG . ASP A 145 ? 0.3587 0.5837 0.3018 -0.0724 0.0236 0.0088 142 ASP A CG 1145 O OD1 . ASP A 145 ? 0.3323 0.5418 0.2741 -0.0656 0.0243 0.0040 142 ASP A OD1 1146 O OD2 . ASP A 145 ? 0.4773 0.7227 0.4218 -0.0724 0.0268 0.0086 142 ASP A OD2 1147 N N . HIS A 146 ? 0.2198 0.3969 0.1609 -0.0641 0.0176 0.0066 143 HIS A N 1148 C CA . HIS A 146 ? 0.2058 0.3758 0.1488 -0.0562 0.0184 0.0034 143 HIS A CA 1149 C C . HIS A 146 ? 0.2471 0.4260 0.1943 -0.0486 0.0215 -0.0014 143 HIS A C 1150 O O . HIS A 146 ? 0.2455 0.4206 0.1951 -0.0423 0.0214 -0.0035 143 HIS A O 1151 C CB . HIS A 146 ? 0.2139 0.3827 0.1574 -0.0572 0.0152 0.0058 143 HIS A CB 1152 C CG . HIS A 146 ? 0.2626 0.4196 0.2001 -0.0633 0.0111 0.0093 143 HIS A CG 1153 N ND1 . HIS A 146 ? 0.2854 0.4275 0.2177 -0.0629 0.0109 0.0090 143 HIS A ND1 1154 C CD2 . HIS A 146 ? 0.2881 0.4458 0.2236 -0.0696 0.0064 0.0129 143 HIS A CD2 1155 C CE1 . HIS A 146 ? 0.2826 0.4161 0.2094 -0.0676 0.0063 0.0117 143 HIS A CE1 1156 N NE2 . HIS A 146 ? 0.2896 0.4307 0.2176 -0.0722 0.0030 0.0141 143 HIS A NE2 1157 N N . SER A 147 ? 0.1838 0.3724 0.1307 -0.0488 0.0239 -0.0034 144 SER A N 1158 C CA . SER A 147 ? 0.1713 0.3647 0.1195 -0.0407 0.0263 -0.0094 144 SER A CA 1159 C C . SER A 147 ? 0.2203 0.3967 0.1642 -0.0397 0.0259 -0.0116 144 SER A C 1160 O O . SER A 147 ? 0.2150 0.3800 0.1566 -0.0446 0.0244 -0.0081 144 SER A O 1161 C CB . SER A 147 ? 0.2044 0.4196 0.1535 -0.0409 0.0290 -0.0106 144 SER A CB 1162 O OG . SER A 147 ? 0.2883 0.5046 0.2327 -0.0469 0.0298 -0.0091 144 SER A OG 1163 N N . PHE A 148 ? 0.1792 0.3538 0.1219 -0.0333 0.0265 -0.0174 145 PHE A N 1164 C CA . PHE A 148 ? 0.1777 0.3367 0.1168 -0.0334 0.0251 -0.0189 145 PHE A CA 1165 C C . PHE A 148 ? 0.2300 0.3935 0.1648 -0.0313 0.0259 -0.0240 145 PHE A C 1166 O O . PHE A 148 ? 0.2307 0.4094 0.1652 -0.0275 0.0281 -0.0275 145 PHE A O 1167 C CB . PHE A 148 ? 0.1993 0.3435 0.1398 -0.0280 0.0227 -0.0205 145 PHE A CB 1168 C CG . PHE A 148 ? 0.2092 0.3482 0.1527 -0.0290 0.0219 -0.0159 145 PHE A CG 1169 C CD1 . PHE A 148 ? 0.2359 0.3821 0.1827 -0.0252 0.0219 -0.0160 145 PHE A CD1 1170 C CD2 . PHE A 148 ? 0.2294 0.3574 0.1720 -0.0332 0.0210 -0.0114 145 PHE A CD2 1171 C CE1 . PHE A 148 ? 0.2392 0.3803 0.1874 -0.0262 0.0207 -0.0119 145 PHE A CE1 1172 C CE2 . PHE A 148 ? 0.2552 0.3792 0.1990 -0.0332 0.0204 -0.0076 145 PHE A CE2 1173 C CZ . PHE A 148 ? 0.2271 0.3570 0.1732 -0.0300 0.0201 -0.0080 145 PHE A CZ 1174 N N . PHE A 149 ? 0.1824 0.3338 0.1137 -0.0337 0.0241 -0.0244 146 PHE A N 1175 C CA . PHE A 149 ? 0.1840 0.3355 0.1097 -0.0314 0.0236 -0.0299 146 PHE A CA 1176 C C . PHE A 149 ? 0.2339 0.3660 0.1584 -0.0296 0.0194 -0.0319 146 PHE A C 1177 O O . PHE A 149 ? 0.2208 0.3427 0.1487 -0.0332 0.0178 -0.0268 146 PHE A O 1178 C CB . PHE A 149 ? 0.2021 0.3618 0.1238 -0.0382 0.0248 -0.0274 146 PHE A CB 1179 C CG . PHE A 149 ? 0.2157 0.3647 0.1372 -0.0455 0.0228 -0.0220 146 PHE A CG 1180 C CD1 . PHE A 149 ? 0.2408 0.3900 0.1653 -0.0510 0.0231 -0.0153 146 PHE A CD1 1181 C CD2 . PHE A 149 ? 0.2446 0.3840 0.1623 -0.0465 0.0201 -0.0238 146 PHE A CD2 1182 C CE1 . PHE A 149 ? 0.2455 0.3860 0.1695 -0.0561 0.0212 -0.0108 146 PHE A CE1 1183 C CE2 . PHE A 149 ? 0.2703 0.4027 0.1888 -0.0526 0.0182 -0.0185 146 PHE A CE2 1184 C CZ . PHE A 149 ? 0.2369 0.3702 0.1585 -0.0567 0.0190 -0.0122 146 PHE A CZ 1185 N N . LYS A 150 ? 0.1972 0.3246 0.1169 -0.0235 0.0171 -0.0392 147 LYS A N 1186 C CA . LYS A 150 ? 0.2017 0.3095 0.1194 -0.0225 0.0115 -0.0412 147 LYS A CA 1187 C C . LYS A 150 ? 0.2742 0.3797 0.1835 -0.0216 0.0093 -0.0473 147 LYS A C 1188 O O . LYS A 150 ? 0.2781 0.3958 0.1825 -0.0164 0.0118 -0.0532 147 LYS A O 1189 C CB . LYS A 150 ? 0.2311 0.3296 0.1505 -0.0148 0.0086 -0.0445 147 LYS A CB 1190 C CG . LYS A 150 ? 0.2553 0.3319 0.1737 -0.0159 0.0017 -0.0439 147 LYS A CG 1191 C CD . LYS A 150 ? 0.3516 0.4179 0.2722 -0.0095 -0.0018 -0.0450 147 LYS A CD 1192 C CE . LYS A 150 ? 0.4631 0.5241 0.3904 -0.0153 -0.0022 -0.0357 147 LYS A CE 1193 N NZ . LYS A 150 ? 0.5777 0.6228 0.5056 -0.0114 -0.0081 -0.0356 147 LYS A NZ 1194 N N . ILE A 151 ? 0.2409 0.3329 0.1486 -0.0271 0.0047 -0.0453 148 ILE A N 1195 C CA . ILE A 151 ? 0.2470 0.3347 0.1461 -0.0275 0.0013 -0.0505 148 ILE A CA 1196 C C . ILE A 151 ? 0.3139 0.3799 0.2095 -0.0252 -0.0069 -0.0546 148 ILE A C 1197 O O . ILE A 151 ? 0.3109 0.3654 0.2121 -0.0306 -0.0106 -0.0484 148 ILE A O 1198 C CB . ILE A 151 ? 0.2722 0.3638 0.1720 -0.0371 0.0018 -0.0441 148 ILE A CB 1199 C CG1 . ILE A 151 ? 0.2601 0.3702 0.1626 -0.0402 0.0084 -0.0394 148 ILE A CG1 1200 C CG2 . ILE A 151 ? 0.2944 0.3815 0.1846 -0.0377 -0.0023 -0.0495 148 ILE A CG2 1201 C CD1 . ILE A 151 ? 0.3065 0.4194 0.2098 -0.0490 0.0084 -0.0325 148 ILE A CD1 1202 N N . SER A 152 ? 0.2787 0.3396 0.1646 -0.0171 -0.0101 -0.0649 149 SER A N 1203 C CA . SER A 152 ? 0.2914 0.3291 0.1713 -0.0145 -0.0195 -0.0701 149 SER A CA 1204 C C . SER A 152 ? 0.3549 0.3864 0.2257 -0.0186 -0.0244 -0.0735 149 SER A C 1205 O O . SER A 152 ? 0.3443 0.3906 0.2096 -0.0182 -0.0200 -0.0762 149 SER A O 1206 C CB . SER A 152 ? 0.3429 0.3756 0.2169 -0.0012 -0.0213 -0.0803 149 SER A CB 1207 O OG . SER A 152 ? 0.4314 0.4375 0.3000 0.0008 -0.0320 -0.0843 149 SER A OG 1208 N N . TYR A 153 ? 0.3260 0.3359 0.1951 -0.0231 -0.0340 -0.0727 150 TYR A N 1209 C CA . TYR A 153 ? 0.3286 0.3294 0.1897 -0.0284 -0.0408 -0.0749 150 TYR A CA 1210 C C . TYR A 153 ? 0.4134 0.3890 0.2635 -0.0233 -0.0520 -0.0841 150 TYR A C 1211 O O . TYR A 153 ? 0.4287 0.3882 0.2816 -0.0213 -0.0575 -0.0834 150 TYR A O 1212 C CB . TYR A 153 ? 0.3208 0.3201 0.1916 -0.0417 -0.0431 -0.0629 150 TYR A CB 1213 C CG . TYR A 153 ? 0.2998 0.3203 0.1808 -0.0464 -0.0334 -0.0540 150 TYR A CG 1214 C CD1 . TYR A 153 ? 0.3140 0.3499 0.1917 -0.0483 -0.0286 -0.0540 150 TYR A CD1 1215 C CD2 . TYR A 153 ? 0.2922 0.3162 0.1850 -0.0487 -0.0298 -0.0455 150 TYR A CD2 1216 C CE1 . TYR A 153 ? 0.2976 0.3499 0.1836 -0.0525 -0.0211 -0.0459 150 TYR A CE1 1217 C CE2 . TYR A 153 ? 0.2824 0.3235 0.1829 -0.0521 -0.0219 -0.0383 150 TYR A CE2 1218 C CZ . TYR A 153 ? 0.3360 0.3901 0.2331 -0.0540 -0.0180 -0.0385 150 TYR A CZ 1219 O OH . TYR A 153 ? 0.2926 0.3604 0.1962 -0.0573 -0.0118 -0.0316 150 TYR A OH 1220 N N . LEU A 154 ? 0.3763 0.3477 0.2130 -0.0212 -0.0563 -0.0926 151 LEU A N 1221 C CA . LEU A 154 ? 0.4051 0.3506 0.2283 -0.0166 -0.0685 -0.1025 151 LEU A CA 1222 C C . LEU A 154 ? 0.4698 0.4088 0.2861 -0.0257 -0.0755 -0.1021 151 LEU A C 1223 O O . LEU A 154 ? 0.4609 0.4133 0.2686 -0.0237 -0.0714 -0.1070 151 LEU A O 1224 C CB . LEU A 154 ? 0.4233 0.3696 0.2329 0.0004 -0.0669 -0.1176 151 LEU A CB 1225 C CG . LEU A 154 ? 0.5188 0.4379 0.3101 0.0078 -0.0798 -0.1310 151 LEU A CG 1226 C CD1 . LEU A 154 ? 0.5388 0.4262 0.3317 0.0055 -0.0927 -0.1293 151 LEU A CD1 1227 C CD2 . LEU A 154 ? 0.5557 0.4824 0.3337 0.0259 -0.0758 -0.1457 151 LEU A CD2 1228 N N . THR A 155 ? 0.4407 0.3608 0.2614 -0.0365 -0.0860 -0.0952 152 THR A N 1229 C CA . THR A 155 ? 0.4497 0.3618 0.2647 -0.0461 -0.0947 -0.0941 152 THR A CA 1230 C C . THR A 155 ? 0.5260 0.4159 0.3205 -0.0377 -0.1052 -0.1092 152 THR A C 1231 O O . THR A 155 ? 0.5352 0.4061 0.3239 -0.0289 -0.1109 -0.1165 152 THR A O 1232 C CB . THR A 155 ? 0.5730 0.4756 0.4007 -0.0608 -0.1024 -0.0808 152 THR A CB 1233 O OG1 . THR A 155 ? 0.6402 0.5195 0.4682 -0.0596 -0.1112 -0.0812 152 THR A OG1 1234 C CG2 . THR A 155 ? 0.5311 0.4575 0.3773 -0.0682 -0.0917 -0.0668 152 THR A CG2 1235 N N . PHE A 156 ? 0.4974 0.3896 0.2800 -0.0392 -0.1079 -0.1145 153 PHE A N 1236 C CA . PHE A 156 ? 0.5304 0.4032 0.2906 -0.0302 -0.1175 -0.1302 153 PHE A CA 1237 C C . PHE A 156 ? 0.5977 0.4734 0.3479 -0.0368 -0.1217 -0.1317 153 PHE A C 1238 O O . PHE A 156 ? 0.5712 0.4692 0.3309 -0.0455 -0.1143 -0.1219 153 PHE A O 1239 C CB . PHE A 156 ? 0.5559 0.4406 0.3059 -0.0117 -0.1082 -0.1431 153 PHE A CB 1240 C CG . PHE A 156 ? 0.5562 0.4740 0.3048 -0.0091 -0.0945 -0.1433 153 PHE A CG 1241 C CD1 . PHE A 156 ? 0.5531 0.4963 0.3190 -0.0177 -0.0831 -0.1297 153 PHE A CD1 1242 C CD2 . PHE A 156 ? 0.6053 0.5287 0.3345 0.0023 -0.0932 -0.1569 153 PHE A CD2 1243 C CE1 . PHE A 156 ? 0.5500 0.5216 0.3141 -0.0167 -0.0720 -0.1288 153 PHE A CE1 1244 C CE2 . PHE A 156 ? 0.6235 0.5786 0.3514 0.0036 -0.0807 -0.1555 153 PHE A CE2 1245 C CZ . PHE A 156 ? 0.5615 0.5396 0.3071 -0.0066 -0.0707 -0.1411 153 PHE A CZ 1246 N N . LEU A 157 ? 0.5959 0.4487 0.3255 -0.0316 -0.1339 -0.1447 154 LEU A N 1247 C CA . LEU A 157 ? 0.6087 0.4627 0.3240 -0.0350 -0.1386 -0.1494 154 LEU A CA 1248 C C . LEU A 157 ? 0.6911 0.5546 0.3869 -0.0174 -0.1320 -0.1655 154 LEU A C 1249 O O . LEU A 157 ? 0.7225 0.5649 0.4033 -0.0045 -0.1391 -0.1794 154 LEU A O 1250 C CB . LEU A 157 ? 0.6408 0.4615 0.3460 -0.0434 -0.1586 -0.1519 154 LEU A CB 1251 C CG . LEU A 157 ? 0.6970 0.5011 0.4187 -0.0589 -0.1689 -0.1383 154 LEU A CG 1252 C CD1 . LEU A 157 ? 0.7299 0.5049 0.4392 -0.0677 -0.1887 -0.1413 154 LEU A CD1 1253 C CD2 . LEU A 157 ? 0.6914 0.5218 0.4363 -0.0726 -0.1599 -0.1201 154 LEU A CD2 1254 N N . PRO A 158 ? 0.6308 0.5269 0.3274 -0.0156 -0.1181 -0.1634 155 PRO A N 1255 C CA . PRO A 158 ? 0.6422 0.5519 0.3210 0.0011 -0.1109 -0.1776 155 PRO A CA 1256 C C . PRO A 158 ? 0.7450 0.6332 0.3968 0.0088 -0.1231 -0.1938 155 PRO A C 1257 O O . PRO A 158 ? 0.7400 0.6127 0.3857 -0.0019 -0.1347 -0.1922 155 PRO A O 1258 C CB . PRO A 158 ? 0.6351 0.5806 0.3195 -0.0041 -0.0973 -0.1691 155 PRO A CB 1259 C CG . PRO A 158 ? 0.6593 0.6114 0.3674 -0.0198 -0.0947 -0.1512 155 PRO A CG 1260 C CD . PRO A 158 ? 0.6141 0.5359 0.3270 -0.0286 -0.1091 -0.1479 155 PRO A CD 1261 N N . SER A 159 ? 0.7476 0.6349 0.3832 0.0281 -0.1210 -0.2097 156 SER A N 1262 C CA . SER A 159 ? 0.7993 0.6666 0.4063 0.0403 -0.1315 -0.2283 156 SER A CA 1263 C C . SER A 159 ? 0.8824 0.7755 0.4753 0.0601 -0.1193 -0.2410 156 SER A C 1264 O O . SER A 159 ? 0.8593 0.7764 0.4650 0.0669 -0.1059 -0.2377 156 SER A O 1265 C CB . SER A 159 ? 0.8722 0.6971 0.4727 0.0455 -0.1479 -0.2369 156 SER A CB 1266 O OG . SER A 159 ? 0.9746 0.8009 0.5862 0.0558 -0.1420 -0.2374 156 SER A OG 1267 N N . ALA A 160 ? 0.8851 0.7739 0.4513 0.0693 -0.1244 -0.2556 157 ALA A N 1268 C CA . ALA A 160 ? 0.9040 0.8188 0.4536 0.0885 -0.1136 -0.2686 157 ALA A CA 1269 C C . ALA A 160 ? 0.9919 0.8969 0.5350 0.1109 -0.1138 -0.2832 157 ALA A C 1270 O O . ALA A 160 ? 0.9923 0.9263 0.5287 0.1273 -0.1016 -0.2911 157 ALA A O 1271 C CB . ALA A 160 ? 0.9461 0.8551 0.4673 0.0920 -0.1209 -0.2805 157 ALA A CB 1272 N N . ASP A 161 ? 0.9719 0.8375 0.5176 0.1115 -0.1276 -0.2862 158 ASP A N 1273 C CA . ASP A 161 ? 0.9976 0.8469 0.5365 0.1324 -0.1311 -0.3001 158 ASP A CA 1274 C C . ASP A 161 ? 1.0063 0.8653 0.5716 0.1319 -0.1228 -0.2893 158 ASP A C 1275 O O . ASP A 161 ? 1.0164 0.8679 0.5779 0.1504 -0.1235 -0.2999 158 ASP A O 1276 C CB . ASP A 161 ? 1.0717 0.8671 0.5927 0.1350 -0.1541 -0.3119 158 ASP A CB 1277 C CG . ASP A 161 ? 1.2297 0.9977 0.7621 0.1103 -0.1674 -0.2978 158 ASP A CG 1278 O OD1 . ASP A 161 ? 1.2178 0.9852 0.7752 0.0987 -0.1653 -0.2826 158 ASP A OD1 1279 O OD2 . ASP A 161 ? 1.3190 1.0667 0.8352 0.1029 -0.1802 -0.3020 158 ASP A OD2 1280 N N . GLU A 162 ? 0.9097 0.7855 0.5005 0.1122 -0.1152 -0.2689 159 GLU A N 1281 C CA . GLU A 162 ? 0.8726 0.7574 0.4876 0.1107 -0.1078 -0.2583 159 GLU A CA 1282 C C . GLU A 162 ? 0.8522 0.7849 0.4840 0.1072 -0.0879 -0.2468 159 GLU A C 1283 O O . GLU A 162 ? 0.8218 0.7738 0.4590 0.0928 -0.0820 -0.2362 159 GLU A O 1284 C CB . GLU A 162 ? 0.8807 0.7388 0.5123 0.0917 -0.1179 -0.2442 159 GLU A CB 1285 C CG . GLU A 162 ? 1.0777 0.8886 0.6988 0.0964 -0.1369 -0.2531 159 GLU A CG 1286 C CD . GLU A 162 ? 1.3806 1.1658 1.0151 0.0754 -0.1486 -0.2388 159 GLU A CD 1287 O OE1 . GLU A 162 ? 1.2618 1.0584 0.9196 0.0656 -0.1417 -0.2237 159 GLU A OE1 1288 O OE2 . GLU A 162 ? 1.3499 1.1040 0.9713 0.0688 -0.1649 -0.2427 159 GLU A OE2 1289 N N . ILE A 163 ? 0.7816 0.7320 0.4217 0.1206 -0.0786 -0.2489 160 ILE A N 1290 C CA . ILE A 163 ? 0.7357 0.7296 0.3926 0.1192 -0.0609 -0.2387 160 ILE A CA 1291 C C . ILE A 163 ? 0.7316 0.7203 0.4110 0.1149 -0.0596 -0.2283 160 ILE A C 1292 O O . ILE A 163 ? 0.7424 0.7041 0.4199 0.1243 -0.0686 -0.2352 160 ILE A O 1293 C CB . ILE A 163 ? 0.7886 0.8145 0.4339 0.1396 -0.0502 -0.2508 160 ILE A CB 1294 C CG1 . ILE A 163 ? 0.8266 0.8333 0.4603 0.1633 -0.0569 -0.2682 160 ILE A CG1 1295 C CG2 . ILE A 163 ? 0.8077 0.8476 0.4335 0.1394 -0.0484 -0.2565 160 ILE A CG2 1296 C CD1 . ILE A 163 ? 0.9082 0.9522 0.5393 0.1841 -0.0442 -0.2766 160 ILE A CD1 1297 N N . TYR A 164 ? 0.6287 0.6410 0.3285 0.1003 -0.0495 -0.2116 161 TYR A N 1298 C CA . TYR A 164 ? 0.5901 0.5981 0.3109 0.0942 -0.0483 -0.2005 161 TYR A CA 1299 C C . TYR A 164 ? 0.6096 0.6532 0.3443 0.0990 -0.0340 -0.1951 161 TYR A C 1300 O O . TYR A 164 ? 0.5986 0.6759 0.3318 0.1006 -0.0233 -0.1943 161 TYR A O 1301 C CB . TYR A 164 ? 0.5753 0.5745 0.3092 0.0720 -0.0509 -0.1846 161 TYR A CB 1302 C CG . TYR A 164 ? 0.6115 0.5755 0.3353 0.0648 -0.0660 -0.1873 161 TYR A CG 1303 C CD1 . TYR A 164 ? 0.6480 0.5778 0.3736 0.0642 -0.0784 -0.1879 161 TYR A CD1 1304 C CD2 . TYR A 164 ? 0.6295 0.5946 0.3419 0.0578 -0.0686 -0.1885 161 TYR A CD2 1305 C CE1 . TYR A 164 ? 0.6779 0.5755 0.3945 0.0562 -0.0933 -0.1895 161 TYR A CE1 1306 C CE2 . TYR A 164 ? 0.6642 0.5975 0.3674 0.0504 -0.0834 -0.1907 161 TYR A CE2 1307 C CZ . TYR A 164 ? 0.7781 0.6779 0.4838 0.0493 -0.0958 -0.1910 161 TYR A CZ 1308 O OH . TYR A 164 ? 0.8293 0.6982 0.5265 0.0406 -0.1113 -0.1921 161 TYR A OH 1309 N N . ASP A 165 ? 0.5578 0.5938 0.3066 0.1002 -0.0348 -0.1903 162 ASP A N 1310 C CA . ASP A 165 ? 0.5293 0.5943 0.2937 0.1032 -0.0235 -0.1838 162 ASP A CA 1311 C C . ASP A 165 ? 0.5413 0.5957 0.3242 0.0906 -0.0248 -0.1701 162 ASP A C 1312 O O . ASP A 165 ? 0.5303 0.5520 0.3132 0.0868 -0.0356 -0.1694 162 ASP A O 1313 C CB . ASP A 165 ? 0.5704 0.6410 0.3294 0.1255 -0.0226 -0.1966 162 ASP A CB 1314 C CG . ASP A 165 ? 0.7070 0.7998 0.4500 0.1397 -0.0173 -0.2090 162 ASP A CG 1315 O OD1 . ASP A 165 ? 0.7543 0.8250 0.4780 0.1487 -0.0262 -0.2223 162 ASP A OD1 1316 O OD2 . ASP A 165 ? 0.7511 0.8839 0.5002 0.1415 -0.0047 -0.2052 162 ASP A OD2 1317 N N . CYS A 166 ? 0.4779 0.5604 0.2759 0.0839 -0.0141 -0.1590 163 CYS A N 1318 C CA . CYS A 166 ? 0.4556 0.5338 0.2710 0.0736 -0.0135 -0.1464 163 CYS A CA 1319 C C . CYS A 166 ? 0.4689 0.5625 0.2928 0.0851 -0.0085 -0.1476 163 CYS A C 1320 O O . CYS A 166 ? 0.4430 0.5697 0.2721 0.0871 0.0016 -0.1452 163 CYS A O 1321 C CB . CYS A 166 ? 0.4428 0.5378 0.2677 0.0564 -0.0069 -0.1328 163 CYS A CB 1322 S SG . CYS A 166 ? 0.4754 0.5641 0.3193 0.0438 -0.0064 -0.1178 163 CYS A SG 1323 N N . LYS A 167 ? 0.4301 0.5002 0.2549 0.0931 -0.0162 -0.1515 164 LYS A N 1324 C CA . LYS A 167 ? 0.4201 0.5014 0.2531 0.1047 -0.0131 -0.1527 164 LYS A CA 1325 C C . LYS A 167 ? 0.4423 0.5285 0.2927 0.0924 -0.0098 -0.1381 164 LYS A C 1326 O O . LYS A 167 ? 0.4262 0.4881 0.2804 0.0827 -0.0164 -0.1314 164 LYS A O 1327 C CB . LYS A 167 ? 0.4737 0.5263 0.2983 0.1201 -0.0239 -0.1640 164 LYS A CB 1328 N N . VAL A 168 ? 0.3858 0.5047 0.2463 0.0925 0.0001 -0.1330 165 VAL A N 1329 C CA . VAL A 168 ? 0.3591 0.4856 0.2347 0.0817 0.0037 -0.1201 165 VAL A CA 1330 C C . VAL A 168 ? 0.4156 0.5552 0.2993 0.0932 0.0057 -0.1213 165 VAL A C 1331 O O . VAL A 168 ? 0.4039 0.5709 0.2879 0.1033 0.0118 -0.1261 165 VAL A O 1332 C CB . VAL A 168 ? 0.3789 0.5297 0.2598 0.0678 0.0121 -0.1105 165 VAL A CB 1333 C CG1 . VAL A 168 ? 0.3531 0.5100 0.2479 0.0576 0.0149 -0.0983 165 VAL A CG1 1334 C CG2 . VAL A 168 ? 0.3784 0.5155 0.2517 0.0571 0.0093 -0.1091 165 VAL A CG2 1335 N N . GLU A 169 ? 0.3848 0.5057 0.2751 0.0916 0.0004 -0.1164 166 GLU A N 1336 C CA . GLU A 169 ? 0.3903 0.5202 0.2888 0.1015 0.0009 -0.1163 166 GLU A CA 1337 C C . GLU A 169 ? 0.4195 0.5598 0.3311 0.0887 0.0049 -0.1031 166 GLU A C 1338 O O . GLU A 169 ? 0.4104 0.5312 0.3239 0.0772 0.0013 -0.0956 166 GLU A O 1339 C CB . GLU A 169 ? 0.4329 0.5313 0.3268 0.1120 -0.0099 -0.1223 166 GLU A CB 1340 C CG . GLU A 169 ? 0.6307 0.7160 0.5104 0.1271 -0.0154 -0.1369 166 GLU A CG 1341 C CD . GLU A 169 ? 1.0300 1.0790 0.9044 0.1354 -0.0280 -0.1417 166 GLU A CD 1342 O OE1 . GLU A 169 ? 0.9858 1.0045 0.8553 0.1255 -0.0362 -0.1387 166 GLU A OE1 1343 O OE2 . GLU A 169 ? 1.0445 1.0955 0.9202 0.1512 -0.0302 -0.1474 166 GLU A OE2 1344 N N . HIS A 170 ? 0.3613 0.5333 0.2813 0.0907 0.0121 -0.1003 167 HIS A N 1345 C CA . HIS A 170 ? 0.3402 0.5250 0.2718 0.0799 0.0157 -0.0888 167 HIS A CA 1346 C C . HIS A 170 ? 0.4112 0.6205 0.3515 0.0899 0.0184 -0.0892 167 HIS A C 1347 O O . HIS A 170 ? 0.4247 0.6522 0.3632 0.1029 0.0210 -0.0972 167 HIS A O 1348 C CB . HIS A 170 ? 0.3289 0.5300 0.2615 0.0655 0.0219 -0.0818 167 HIS A CB 1349 C CG . HIS A 170 ? 0.3484 0.5537 0.2899 0.0529 0.0235 -0.0704 167 HIS A CG 1350 N ND1 . HIS A 170 ? 0.3569 0.5885 0.3074 0.0521 0.0276 -0.0656 167 HIS A ND1 1351 C CD2 . HIS A 170 ? 0.3594 0.5459 0.3014 0.0414 0.0210 -0.0633 167 HIS A CD2 1352 C CE1 . HIS A 170 ? 0.3356 0.5609 0.2904 0.0403 0.0269 -0.0566 167 HIS A CE1 1353 N NE2 . HIS A 170 ? 0.3402 0.5394 0.2901 0.0343 0.0234 -0.0551 167 HIS A NE2 1354 N N . TRP A 171 ? 0.3644 0.5755 0.3141 0.0843 0.0178 -0.0807 168 TRP A N 1355 C CA . TRP A 171 ? 0.3653 0.5994 0.3248 0.0919 0.0194 -0.0794 168 TRP A CA 1356 C C . TRP A 171 ? 0.3941 0.6676 0.3594 0.0893 0.0275 -0.0768 168 TRP A C 1357 O O . TRP A 171 ? 0.3802 0.6789 0.3530 0.0988 0.0296 -0.0781 168 TRP A O 1358 C CB . TRP A 171 ? 0.3476 0.5725 0.3143 0.0843 0.0163 -0.0701 168 TRP A CB 1359 C CG . TRP A 171 ? 0.3760 0.5664 0.3385 0.0870 0.0082 -0.0708 168 TRP A CG 1360 C CD1 . TRP A 171 ? 0.4345 0.6059 0.3911 0.1002 0.0022 -0.0793 168 TRP A CD1 1361 C CD2 . TRP A 171 ? 0.3673 0.5392 0.3311 0.0762 0.0049 -0.0622 168 TRP A CD2 1362 N NE1 . TRP A 171 ? 0.4349 0.5764 0.3893 0.0967 -0.0051 -0.0754 168 TRP A NE1 1363 C CE2 . TRP A 171 ? 0.4352 0.5782 0.3942 0.0823 -0.0030 -0.0648 168 TRP A CE2 1364 C CE3 . TRP A 171 ? 0.3661 0.5427 0.3339 0.0622 0.0075 -0.0525 168 TRP A CE3 1365 C CZ2 . TRP A 171 ? 0.4253 0.5471 0.3841 0.0742 -0.0075 -0.0571 168 TRP A CZ2 1366 C CZ3 . TRP A 171 ? 0.3835 0.5387 0.3501 0.0557 0.0033 -0.0463 168 TRP A CZ3 1367 C CH2 . TRP A 171 ? 0.4068 0.5365 0.3695 0.0613 -0.0036 -0.0481 168 TRP A CH2 1368 N N . GLY A 172 ? 0.3427 0.6216 0.3051 0.0763 0.0315 -0.0726 169 GLY A N 1369 C CA . GLY A 172 ? 0.3327 0.6465 0.2991 0.0708 0.0384 -0.0686 169 GLY A CA 1370 C C . GLY A 172 ? 0.3996 0.7318 0.3600 0.0822 0.0426 -0.0776 169 GLY A C 1371 O O . GLY A 172 ? 0.3850 0.7494 0.3482 0.0787 0.0487 -0.0744 169 GLY A O 1372 N N . LEU A 173 ? 0.3811 0.6922 0.3321 0.0955 0.0388 -0.0887 170 LEU A N 1373 C CA . LEU A 173 ? 0.4001 0.7228 0.3424 0.1096 0.0413 -0.1000 170 LEU A CA 1374 C C . LEU A 173 ? 0.4878 0.8131 0.4319 0.1303 0.0387 -0.1090 170 LEU A C 1375 O O . LEU A 173 ? 0.4831 0.7827 0.4289 0.1340 0.0317 -0.1095 170 LEU A O 1376 C CB . LEU A 173 ? 0.4090 0.7014 0.3366 0.1086 0.0373 -0.1067 170 LEU A CB 1377 C CG . LEU A 173 ? 0.4525 0.7376 0.3768 0.0899 0.0386 -0.0992 170 LEU A CG 1378 C CD1 . LEU A 173 ? 0.4659 0.7156 0.3778 0.0897 0.0322 -0.1053 170 LEU A CD1 1379 C CD2 . LEU A 173 ? 0.4703 0.7890 0.3933 0.0853 0.0465 -0.0967 170 LEU A CD2 1380 N N . ASP A 174 ? 0.4780 0.8350 0.4215 0.1441 0.0441 -0.1157 171 ASP A N 1381 C CA . ASP A 174 ? 0.5032 0.8663 0.4481 0.1664 0.0420 -0.1254 171 ASP A CA 1382 C C . ASP A 174 ? 0.5833 0.9112 0.5123 0.1804 0.0348 -0.1395 171 ASP A C 1383 O O . ASP A 174 ? 0.5986 0.9064 0.5267 0.1942 0.0277 -0.1459 171 ASP A O 1384 C CB . ASP A 174 ? 0.5349 0.9481 0.4851 0.1766 0.0510 -0.1273 171 ASP A CB 1385 C CG . ASP A 174 ? 0.7055 1.1550 0.6706 0.1608 0.0575 -0.1126 171 ASP A CG 1386 O OD1 . ASP A 174 ? 0.7128 1.1686 0.6909 0.1589 0.0556 -0.1058 171 ASP A OD1 1387 O OD2 . ASP A 174 ? 0.7881 1.2592 0.7513 0.1499 0.0638 -0.1077 171 ASP A OD2 1388 N N . GLU A 175 ? 0.5385 0.8581 0.4545 0.1761 0.0359 -0.1439 172 GLU A N 1389 C CA . GLU A 175 ? 0.5566 0.8427 0.4555 0.1865 0.0286 -0.1569 172 GLU A CA 1390 C C . GLU A 175 ? 0.5808 0.8393 0.4724 0.1679 0.0255 -0.1521 172 GLU A C 1391 O O . GLU A 175 ? 0.5454 0.8203 0.4430 0.1507 0.0314 -0.1412 172 GLU A O 1392 C CB . GLU A 175 ? 0.5932 0.9040 0.4816 0.2040 0.0337 -0.1695 172 GLU A CB 1393 N N . PRO A 176 ? 0.5528 0.7704 0.4318 0.1708 0.0157 -0.1597 173 PRO A N 1394 C CA . PRO A 176 ? 0.5430 0.7376 0.4160 0.1531 0.0127 -0.1546 173 PRO A CA 1395 C C . PRO A 176 ? 0.5892 0.8059 0.4547 0.1482 0.0199 -0.1558 173 PRO A C 1396 O O . PRO A 176 ? 0.5984 0.8303 0.4542 0.1629 0.0225 -0.1669 173 PRO A O 1397 C CB . PRO A 176 ? 0.5898 0.7404 0.4500 0.1606 0.0002 -0.1643 173 PRO A CB 1398 C CG . PRO A 176 ? 0.6601 0.8050 0.5229 0.1783 -0.0045 -0.1705 173 PRO A CG 1399 C CD . PRO A 176 ? 0.5997 0.7895 0.4691 0.1898 0.0060 -0.1727 173 PRO A CD 1400 N N . LEU A 177 ? 0.5247 0.7448 0.3948 0.1282 0.0231 -0.1442 174 LEU A N 1401 C CA . LEU A 177 ? 0.5168 0.7561 0.3805 0.1206 0.0292 -0.1428 174 LEU A CA 1402 C C . LEU A 177 ? 0.5742 0.7834 0.4222 0.1192 0.0220 -0.1500 174 LEU A C 1403 O O . LEU A 177 ? 0.5703 0.7481 0.4187 0.1092 0.0147 -0.1459 174 LEU A O 1404 C CB . LEU A 177 ? 0.4909 0.7448 0.3662 0.1003 0.0345 -0.1271 174 LEU A CB 1405 C CG . LEU A 177 ? 0.5452 0.8323 0.4191 0.0928 0.0429 -0.1223 174 LEU A CG 1406 C CD1 . LEU A 177 ? 0.5220 0.8269 0.4101 0.0770 0.0475 -0.1073 174 LEU A CD1 1407 C CD2 . LEU A 177 ? 0.5892 0.8614 0.4503 0.0849 0.0404 -0.1238 174 LEU A CD2 1408 N N . LEU A 178 ? 0.5376 0.7576 0.3717 0.1293 0.0239 -0.1605 175 LEU A N 1409 C CA . LEU A 178 ? 0.5556 0.7498 0.3729 0.1288 0.0169 -0.1682 175 LEU A CA 1410 C C . LEU A 178 ? 0.5880 0.8033 0.4005 0.1175 0.0233 -0.1633 175 LEU A C 1411 O O . LEU A 178 ? 0.5916 0.8419 0.4016 0.1235 0.0319 -0.1652 175 LEU A O 1412 C CB . LEU A 178 ? 0.5924 0.7759 0.3939 0.1511 0.0118 -0.1863 175 LEU A CB 1413 C CG . LEU A 178 ? 0.6733 0.8108 0.4688 0.1567 -0.0020 -0.1932 175 LEU A CG 1414 C CD1 . LEU A 178 ? 0.6716 0.8055 0.4795 0.1646 -0.0036 -0.1914 175 LEU A CD1 1415 C CD2 . LEU A 178 ? 0.7436 0.8648 0.5176 0.1741 -0.0088 -0.2111 175 LEU A CD2 1416 N N . LYS A 179 ? 0.5168 0.7124 0.3289 0.1006 0.0191 -0.1559 176 LYS A N 1417 C CA . LYS A 179 ? 0.4989 0.7090 0.3064 0.0884 0.0232 -0.1502 176 LYS A CA 1418 C C . LYS A 179 ? 0.5642 0.7480 0.3543 0.0893 0.0148 -0.1591 176 LYS A C 1419 O O . LYS A 179 ? 0.5568 0.7072 0.3468 0.0833 0.0055 -0.1583 176 LYS A O 1420 C CB . LYS A 179 ? 0.4966 0.7089 0.3185 0.0686 0.0255 -0.1337 176 LYS A CB 1421 C CG . LYS A 179 ? 0.6076 0.8497 0.4299 0.0581 0.0333 -0.1252 176 LYS A CG 1422 C CD . LYS A 179 ? 0.6781 0.9573 0.5106 0.0602 0.0427 -0.1198 176 LYS A CD 1423 C CE . LYS A 179 ? 0.7899 1.0985 0.6214 0.0496 0.0494 -0.1111 176 LYS A CE 1424 N NZ . LYS A 179 ? 0.9197 1.2603 0.7647 0.0461 0.0567 -0.1017 176 LYS A NZ 1425 N N . HIS A 180 ? 0.5463 0.7462 0.3213 0.0975 0.0178 -0.1678 177 HIS A N 1426 C CA . HIS A 180 ? 0.5715 0.7500 0.3269 0.1010 0.0099 -0.1785 177 HIS A CA 1427 C C . HIS A 180 ? 0.6107 0.7874 0.3635 0.0834 0.0090 -0.1698 177 HIS A C 1428 O O . HIS A 180 ? 0.5866 0.7900 0.3467 0.0727 0.0171 -0.1586 177 HIS A O 1429 C CB . HIS A 180 ? 0.6069 0.8062 0.3459 0.1198 0.0141 -0.1926 177 HIS A CB 1430 C CG . HIS A 180 ? 0.6890 0.8610 0.4056 0.1289 0.0041 -0.2077 177 HIS A CG 1431 N ND1 . HIS A 180 ? 0.7232 0.8971 0.4256 0.1222 0.0030 -0.2087 177 HIS A ND1 1432 C CD2 . HIS A 180 ? 0.7430 0.8848 0.4487 0.1442 -0.0059 -0.2221 177 HIS A CD2 1433 C CE1 . HIS A 180 ? 0.7503 0.8953 0.4335 0.1332 -0.0076 -0.2239 177 HIS A CE1 1434 N NE2 . HIS A 180 ? 0.7685 0.8926 0.4527 0.1467 -0.0135 -0.2325 177 HIS A NE2 1435 N N . TRP A 181 ? 0.5907 0.7349 0.3325 0.0805 -0.0020 -0.1750 178 TRP A N 1436 C CA . TRP A 181 ? 0.5902 0.7277 0.3268 0.0659 -0.0055 -0.1692 178 TRP A CA 1437 C C . TRP A 181 ? 0.6876 0.8016 0.4023 0.0734 -0.0157 -0.1834 178 TRP A C 1438 O O . TRP A 181 ? 0.7032 0.7898 0.4118 0.0836 -0.0247 -0.1937 178 TRP A O 1439 C CB . TRP A 181 ? 0.5522 0.6709 0.3044 0.0490 -0.0101 -0.1559 178 TRP A CB 1440 C CG . TRP A 181 ? 0.5574 0.6731 0.3069 0.0339 -0.0130 -0.1485 178 TRP A CG 1441 C CD1 . TRP A 181 ? 0.5711 0.7077 0.3290 0.0213 -0.0062 -0.1357 178 TRP A CD1 1442 C CD2 . TRP A 181 ? 0.5737 0.6631 0.3114 0.0299 -0.0243 -0.1531 178 TRP A CD2 1443 N NE1 . TRP A 181 ? 0.5651 0.6906 0.3178 0.0103 -0.0123 -0.1319 178 TRP A NE1 1444 C CE2 . TRP A 181 ? 0.6077 0.7054 0.3482 0.0151 -0.0233 -0.1424 178 TRP A CE2 1445 C CE3 . TRP A 181 ? 0.6168 0.6749 0.3421 0.0368 -0.0363 -0.1647 178 TRP A CE3 1446 C CZ2 . TRP A 181 ? 0.6110 0.6896 0.3429 0.0074 -0.0332 -0.1430 178 TRP A CZ2 1447 C CZ3 . TRP A 181 ? 0.6491 0.6874 0.3653 0.0283 -0.0466 -0.1653 178 TRP A CZ3 1448 C CH2 . TRP A 181 ? 0.6419 0.6915 0.3620 0.0137 -0.0447 -0.1543 178 TRP A CH2 1449 N N . GLU A 182 ? 0.6658 0.7889 0.3681 0.0682 -0.0153 -0.1836 179 GLU A N 1450 C CA . GLU A 182 ? 0.7082 0.8098 0.3881 0.0739 -0.0254 -0.1967 179 GLU A CA 1451 C C . GLU A 182 ? 0.7656 0.8689 0.4406 0.0582 -0.0277 -0.1890 179 GLU A C 1452 O O . GLU A 182 ? 0.7411 0.8722 0.4243 0.0485 -0.0185 -0.1772 179 GLU A O 1453 C CB . GLU A 182 ? 0.7574 0.8742 0.4182 0.0949 -0.0217 -0.2131 179 GLU A CB 1454 C CG . GLU A 182 ? 0.9142 1.0777 0.5749 0.0972 -0.0069 -0.2091 179 GLU A CG 1455 C CD . GLU A 182 ? 1.2092 1.3930 0.8556 0.1197 -0.0013 -0.2242 179 GLU A CD 1456 O OE1 . GLU A 182 ? 1.1717 1.3359 0.7965 0.1332 -0.0094 -0.2408 179 GLU A OE1 1457 O OE2 . GLU A 182 ? 1.1178 1.3384 0.7743 0.1240 0.0111 -0.2193 179 GLU A OE2 1458 N N . PRO A 183 ? 0.7486 0.8216 0.4111 0.0547 -0.0408 -0.1947 180 PRO A N 1459 C CA . PRO A 183 ? 0.7956 0.8708 0.4536 0.0401 -0.0436 -0.1873 180 PRO A CA 1460 C C . PRO A 183 ? 1.1592 1.2571 0.7966 0.0470 -0.0388 -0.1948 180 PRO A C 1461 O O . PRO A 183 ? 0.6905 0.8213 0.3324 0.0422 -0.0278 -0.1859 180 PRO A O 1462 C CB . PRO A 183 ? 0.8311 0.8661 0.4828 0.0351 -0.0602 -0.1916 180 PRO A CB 1463 C CG . PRO A 183 ? 0.8845 0.8952 0.5365 0.0469 -0.0662 -0.2011 180 PRO A CG 1464 C CD . PRO A 183 ? 0.8147 0.8499 0.4657 0.0634 -0.0546 -0.2078 180 PRO A CD 1465 N N . ASP B 32 ? 0.5920 0.9833 0.5222 0.2955 -0.0284 -0.1204 2 ASP B N 1466 C CA . ASP B 32 ? 0.6039 0.9370 0.5150 0.2959 -0.0398 -0.1193 2 ASP B CA 1467 C C . ASP B 32 ? 0.6251 0.9254 0.5312 0.2743 -0.0361 -0.1110 2 ASP B C 1468 O O . ASP B 32 ? 0.6331 0.9285 0.5314 0.2762 -0.0334 -0.1135 2 ASP B O 1469 C CB . ASP B 32 ? 0.6630 0.9727 0.5516 0.3241 -0.0520 -0.1313 2 ASP B CB 1470 N N . SER B 33 ? 0.5396 0.8197 0.4504 0.2544 -0.0359 -0.1012 3 SER B N 1471 C CA . SER B 33 ? 0.5143 0.7649 0.4221 0.2331 -0.0328 -0.0926 3 SER B CA 1472 C C . SER B 33 ? 0.5340 0.7568 0.4411 0.2199 -0.0375 -0.0850 3 SER B C 1473 O O . SER B 33 ? 0.5196 0.7624 0.4391 0.2172 -0.0365 -0.0829 3 SER B O 1474 C CB . SER B 33 ? 0.5338 0.8161 0.4587 0.2157 -0.0193 -0.0866 3 SER B CB 1475 O OG . SER B 33 ? 0.6438 0.8994 0.5664 0.1962 -0.0164 -0.0785 3 SER B OG 1476 N N . PRO B 34 ? 0.4731 0.6521 0.3664 0.2111 -0.0423 -0.0806 4 PRO B N 1477 C CA . PRO B 34 ? 0.4580 0.6127 0.3500 0.1987 -0.0463 -0.0731 4 PRO B CA 1478 C C . PRO B 34 ? 0.4557 0.6314 0.3667 0.1780 -0.0366 -0.0648 4 PRO B C 1479 O O . PRO B 34 ? 0.4497 0.6375 0.3689 0.1660 -0.0277 -0.0616 4 PRO B O 1480 C CB . PRO B 34 ? 0.4950 0.6045 0.3694 0.1926 -0.0519 -0.0702 4 PRO B CB 1481 C CG . PRO B 34 ? 0.5775 0.6816 0.4398 0.2082 -0.0551 -0.0788 4 PRO B CG 1482 C CD . PRO B 34 ? 0.5053 0.6560 0.3831 0.2124 -0.0449 -0.0826 4 PRO B CD 1483 N N . GLU B 35 ? 0.3832 0.5611 0.2996 0.1743 -0.0390 -0.0617 5 GLU B N 1484 C CA . GLU B 35 ? 0.3482 0.5414 0.2804 0.1557 -0.0320 -0.0545 5 GLU B CA 1485 C C . GLU B 35 ? 0.3635 0.5279 0.2910 0.1378 -0.0306 -0.0466 5 GLU B C 1486 O O . GLU B 35 ? 0.3685 0.4992 0.2808 0.1390 -0.0375 -0.0451 5 GLU B O 1487 C CB . GLU B 35 ? 0.3671 0.5695 0.3039 0.1598 -0.0368 -0.0548 5 GLU B CB 1488 C CG . GLU B 35 ? 0.5033 0.7270 0.4572 0.1436 -0.0306 -0.0496 5 GLU B CG 1489 C CD . GLU B 35 ? 0.8301 1.0687 0.7893 0.1501 -0.0355 -0.0515 5 GLU B CD 1490 O OE1 . GLU B 35 ? 0.8246 1.0385 0.7720 0.1544 -0.0437 -0.0503 5 GLU B OE1 1491 O OE2 . GLU B 35 ? 0.7662 1.0419 0.7412 0.1507 -0.0317 -0.0540 5 GLU B OE2 1492 N N . ASP B 36 ? 0.2790 0.4576 0.2192 0.1217 -0.0217 -0.0417 6 ASP B N 1493 C CA . ASP B 36 ? 0.2592 0.4157 0.1966 0.1058 -0.0197 -0.0349 6 ASP B CA 1494 C C . ASP B 36 ? 0.2814 0.4546 0.2337 0.0909 -0.0135 -0.0300 6 ASP B C 1495 O O . ASP B 36 ? 0.2691 0.4705 0.2348 0.0875 -0.0073 -0.0306 6 ASP B O 1496 C CB . ASP B 36 ? 0.2736 0.4210 0.2059 0.1027 -0.0160 -0.0346 6 ASP B CB 1497 C CG . ASP B 36 ? 0.3126 0.4313 0.2374 0.0902 -0.0168 -0.0287 6 ASP B CG 1498 O OD1 . ASP B 36 ? 0.3050 0.4080 0.2259 0.0852 -0.0207 -0.0249 6 ASP B OD1 1499 O OD2 . ASP B 36 ? 0.3411 0.4544 0.2636 0.0858 -0.0135 -0.0278 6 ASP B OD2 1500 N N . PHE B 37 ? 0.2219 0.3761 0.1705 0.0815 -0.0155 -0.0251 7 PHE B N 1501 C CA . PHE B 37 ? 0.1976 0.3601 0.1568 0.0670 -0.0106 -0.0206 7 PHE B CA 1502 C C . PHE B 37 ? 0.2263 0.3689 0.1805 0.0557 -0.0079 -0.0157 7 PHE B C 1503 O O . PHE B 37 ? 0.2296 0.3477 0.1717 0.0559 -0.0123 -0.0137 7 PHE B O 1504 C CB . PHE B 37 ? 0.2249 0.3862 0.1842 0.0672 -0.0154 -0.0198 7 PHE B CB 1505 C CG . PHE B 37 ? 0.2441 0.4272 0.2092 0.0785 -0.0184 -0.0248 7 PHE B CG 1506 C CD1 . PHE B 37 ? 0.2683 0.4820 0.2493 0.0745 -0.0138 -0.0262 7 PHE B CD1 1507 C CD2 . PHE B 37 ? 0.2811 0.4539 0.2353 0.0929 -0.0264 -0.0280 7 PHE B CD2 1508 C CE1 . PHE B 37 ? 0.2819 0.5191 0.2695 0.0844 -0.0166 -0.0308 7 PHE B CE1 1509 C CE2 . PHE B 37 ? 0.3214 0.5161 0.2811 0.1045 -0.0294 -0.0330 7 PHE B CE2 1510 C CZ . PHE B 37 ? 0.2836 0.5123 0.2608 0.1002 -0.0242 -0.0345 7 PHE B CZ 1511 N N . VAL B 38 ? 0.1535 0.3078 0.1171 0.0460 -0.0008 -0.0136 8 VAL B N 1512 C CA . VAL B 38 ? 0.1390 0.2793 0.0993 0.0369 0.0024 -0.0098 8 VAL B CA 1513 C C . VAL B 38 ? 0.1820 0.3241 0.1494 0.0243 0.0057 -0.0059 8 VAL B C 1514 O O . VAL B 38 ? 0.1628 0.3224 0.1408 0.0204 0.0083 -0.0062 8 VAL B O 1515 C CB . VAL B 38 ? 0.1744 0.3243 0.1371 0.0376 0.0076 -0.0108 8 VAL B CB 1516 C CG1 . VAL B 38 ? 0.1643 0.2994 0.1228 0.0294 0.0101 -0.0071 8 VAL B CG1 1517 C CG2 . VAL B 38 ? 0.1799 0.3302 0.1354 0.0515 0.0043 -0.0159 8 VAL B CG2 1518 N N . TYR B 39 ? 0.1465 0.2705 0.1074 0.0183 0.0048 -0.0024 9 TYR B N 1519 C CA . TYR B 39 ? 0.1336 0.2577 0.0993 0.0080 0.0077 0.0006 9 TYR B CA 1520 C C . TYR B 39 ? 0.1984 0.3135 0.1618 0.0018 0.0112 0.0034 9 TYR B C 1521 O O . TYR B 39 ? 0.2047 0.3058 0.1594 0.0030 0.0092 0.0046 9 TYR B O 1522 C CB . TYR B 39 ? 0.1454 0.2611 0.1066 0.0068 0.0036 0.0019 9 TYR B CB 1523 C CG . TYR B 39 ? 0.1477 0.2684 0.1149 -0.0011 0.0056 0.0030 9 TYR B CG 1524 C CD1 . TYR B 39 ? 0.1599 0.2727 0.1253 -0.0078 0.0079 0.0057 9 TYR B CD1 1525 C CD2 . TYR B 39 ? 0.1562 0.2898 0.1305 -0.0012 0.0046 0.0008 9 TYR B CD2 1526 C CE1 . TYR B 39 ? 0.1499 0.2663 0.1194 -0.0133 0.0091 0.0056 9 TYR B CE1 1527 C CE2 . TYR B 39 ? 0.1662 0.3023 0.1445 -0.0078 0.0055 0.0009 9 TYR B CE2 1528 C CZ . TYR B 39 ? 0.2387 0.3654 0.2140 -0.0133 0.0077 0.0031 9 TYR B CZ 1529 O OH . TYR B 39 ? 0.2165 0.3447 0.1946 -0.0183 0.0079 0.0024 9 TYR B OH 1530 N N . GLN B 40 ? 0.1560 0.2788 0.1268 -0.0050 0.0156 0.0046 10 GLN B N 1531 C CA . GLN B 40 ? 0.1512 0.2664 0.1201 -0.0104 0.0185 0.0073 10 GLN B CA 1532 C C . GLN B 40 ? 0.2160 0.3289 0.1876 -0.0175 0.0196 0.0090 10 GLN B C 1533 O O . GLN B 40 ? 0.2162 0.3370 0.1945 -0.0208 0.0205 0.0083 10 GLN B O 1534 C CB . GLN B 40 ? 0.1595 0.2827 0.1317 -0.0107 0.0228 0.0075 10 GLN B CB 1535 C CG . GLN B 40 ? 0.2981 0.4252 0.2670 -0.0025 0.0222 0.0050 10 GLN B CG 1536 C CD . GLN B 40 ? 0.3744 0.5110 0.3456 -0.0031 0.0269 0.0058 10 GLN B CD 1537 O OE1 . GLN B 40 ? 0.2293 0.3586 0.1971 -0.0062 0.0287 0.0079 10 GLN B OE1 1538 N NE2 . GLN B 40 ? 0.2805 0.4347 0.2574 0.0000 0.0289 0.0041 10 GLN B NE2 1539 N N . PHE B 41 ? 0.1731 0.2754 0.1391 -0.0197 0.0192 0.0110 11 PHE B N 1540 C CA . PHE B 41 ? 0.1652 0.2658 0.1328 -0.0248 0.0206 0.0121 11 PHE B CA 1541 C C . PHE B 41 ? 0.2090 0.3051 0.1748 -0.0269 0.0232 0.0140 11 PHE B C 1542 O O . PHE B 41 ? 0.2102 0.3003 0.1707 -0.0261 0.0225 0.0153 11 PHE B O 1543 C CB . PHE B 41 ? 0.1850 0.2817 0.1486 -0.0254 0.0180 0.0124 11 PHE B CB 1544 C CG . PHE B 41 ? 0.1949 0.2911 0.1591 -0.0288 0.0192 0.0126 11 PHE B CG 1545 C CD1 . PHE B 41 ? 0.2116 0.3112 0.1808 -0.0307 0.0198 0.0106 11 PHE B CD1 1546 C CD2 . PHE B 41 ? 0.2189 0.3114 0.1782 -0.0298 0.0192 0.0146 11 PHE B CD2 1547 C CE1 . PHE B 41 ? 0.2169 0.3143 0.1853 -0.0320 0.0200 0.0098 11 PHE B CE1 1548 C CE2 . PHE B 41 ? 0.2450 0.3388 0.2045 -0.0311 0.0201 0.0140 11 PHE B CE2 1549 C CZ . PHE B 41 ? 0.2132 0.3086 0.1768 -0.0314 0.0204 0.0113 11 PHE B CZ 1550 N N . LYS B 42 ? 0.1554 0.2539 0.1254 -0.0300 0.0255 0.0144 12 LYS B N 1551 C CA . LYS B 42 ? 0.1476 0.2419 0.1158 -0.0315 0.0276 0.0164 12 LYS B CA 1552 C C . LYS B 42 ? 0.1960 0.2866 0.1642 -0.0337 0.0275 0.0164 12 LYS B C 1553 O O . LYS B 42 ? 0.1791 0.2701 0.1508 -0.0361 0.0274 0.0157 12 LYS B O 1554 C CB . LYS B 42 ? 0.1720 0.2710 0.1431 -0.0324 0.0304 0.0175 12 LYS B CB 1555 C CG . LYS B 42 ? 0.1579 0.2614 0.1274 -0.0284 0.0309 0.0169 12 LYS B CG 1556 C CD . LYS B 42 ? 0.2422 0.3550 0.2157 -0.0298 0.0342 0.0182 12 LYS B CD 1557 C CE . LYS B 42 ? 0.1819 0.3007 0.1529 -0.0242 0.0350 0.0169 12 LYS B CE 1558 N NZ . LYS B 42 ? 0.0728 0.1912 0.0572 -0.0224 0.0217 0.0142 12 LYS B NZ 1559 N N . GLY B 43 ? 0.1741 0.2612 0.1381 -0.0329 0.0269 0.0171 13 GLY B N 1560 C CA . GLY B 43 ? 0.1783 0.2634 0.1415 -0.0329 0.0267 0.0166 13 GLY B CA 1561 C C . GLY B 43 ? 0.2291 0.3107 0.1908 -0.0328 0.0281 0.0185 13 GLY B C 1562 O O . GLY B 43 ? 0.2168 0.2987 0.1756 -0.0318 0.0283 0.0198 13 GLY B O 1563 N N . MET B 44 ? 0.1912 0.2694 0.1546 -0.0343 0.0287 0.0189 14 MET B N 1564 C CA . MET B 44 ? 0.1923 0.2663 0.1534 -0.0343 0.0299 0.0215 14 MET B CA 1565 C C . MET B 44 ? 0.2399 0.3070 0.1984 -0.0325 0.0283 0.0211 14 MET B C 1566 O O . MET B 44 ? 0.2300 0.2932 0.1890 -0.0325 0.0262 0.0187 14 MET B O 1567 C CB . MET B 44 ? 0.2236 0.2984 0.1870 -0.0377 0.0317 0.0238 14 MET B CB 1568 C CG . MET B 44 ? 0.2659 0.3488 0.2316 -0.0374 0.0330 0.0234 14 MET B CG 1569 S SD . MET B 44 ? 0.3278 0.4173 0.2961 -0.0404 0.0360 0.0262 14 MET B SD 1570 C CE . MET B 44 ? 0.2868 0.3735 0.2487 -0.0381 0.0378 0.0291 14 MET B CE 1571 N N . CYS B 45 ? 0.2123 0.2777 0.1672 -0.0302 0.0286 0.0229 15 CYS B N 1572 C CA . CYS B 45 ? 0.2218 0.2805 0.1730 -0.0267 0.0267 0.0226 15 CYS B CA 1573 C C . CYS B 45 ? 0.2576 0.3096 0.2056 -0.0279 0.0274 0.0267 15 CYS B C 1574 O O . CYS B 45 ? 0.2470 0.3034 0.1944 -0.0287 0.0295 0.0291 15 CYS B O 1575 C CB . CYS B 45 ? 0.2251 0.2905 0.1748 -0.0220 0.0260 0.0210 15 CYS B CB 1576 S SG . CYS B 45 ? 0.2715 0.3465 0.2237 -0.0211 0.0254 0.0173 15 CYS B SG 1577 N N . TYR B 46 ? 0.2157 0.2562 0.1607 -0.0280 0.0252 0.0275 16 TYR B N 1578 C CA . TYR B 46 ? 0.2205 0.2521 0.1610 -0.0297 0.0251 0.0323 16 TYR B CA 1579 C C . TYR B 46 ? 0.2822 0.3047 0.2163 -0.0231 0.0216 0.0316 16 TYR B C 1580 O O . TYR B 46 ? 0.2814 0.2956 0.2136 -0.0200 0.0180 0.0283 16 TYR B O 1581 C CB . TYR B 46 ? 0.2399 0.2640 0.1816 -0.0369 0.0246 0.0346 16 TYR B CB 1582 C CG . TYR B 46 ? 0.2575 0.2936 0.2058 -0.0425 0.0281 0.0352 16 TYR B CG 1583 C CD1 . TYR B 46 ? 0.2733 0.3156 0.2272 -0.0430 0.0277 0.0309 16 TYR B CD1 1584 C CD2 . TYR B 46 ? 0.2672 0.3096 0.2157 -0.0461 0.0317 0.0399 16 TYR B CD2 1585 C CE1 . TYR B 46 ? 0.2669 0.3207 0.2265 -0.0466 0.0303 0.0311 16 TYR B CE1 1586 C CE2 . TYR B 46 ? 0.2714 0.3266 0.2259 -0.0495 0.0346 0.0397 16 TYR B CE2 1587 C CZ . TYR B 46 ? 0.3496 0.4101 0.3097 -0.0495 0.0337 0.0352 16 TYR B CZ 1588 O OH . TYR B 46 ? 0.3585 0.4319 0.3242 -0.0515 0.0360 0.0347 16 TYR B OH 1589 N N . PHE B 47 ? 0.2453 0.2704 0.1759 -0.0197 0.0223 0.0340 17 PHE B N 1590 C CA . PHE B 47 ? 0.2525 0.2717 0.1773 -0.0120 0.0188 0.0332 17 PHE B CA 1591 C C . PHE B 47 ? 0.3616 0.3678 0.2788 -0.0124 0.0174 0.0389 17 PHE B C 1592 O O . PHE B 47 ? 0.3670 0.3772 0.2833 -0.0162 0.0204 0.0435 17 PHE B O 1593 C CB . PHE B 47 ? 0.2569 0.2912 0.1837 -0.0072 0.0196 0.0310 17 PHE B CB 1594 C CG . PHE B 47 ? 0.2540 0.3019 0.1873 -0.0079 0.0211 0.0269 17 PHE B CG 1595 C CD1 . PHE B 47 ? 0.2828 0.3332 0.2173 -0.0036 0.0191 0.0223 17 PHE B CD1 1596 C CD2 . PHE B 47 ? 0.2611 0.3192 0.1981 -0.0123 0.0239 0.0278 17 PHE B CD2 1597 C CE1 . PHE B 47 ? 0.2782 0.3421 0.2178 -0.0047 0.0206 0.0195 17 PHE B CE1 1598 C CE2 . PHE B 47 ? 0.2818 0.3504 0.2233 -0.0135 0.0246 0.0250 17 PHE B CE2 1599 C CZ . PHE B 47 ? 0.2537 0.3259 0.1966 -0.0102 0.0232 0.0214 17 PHE B CZ 1600 N N . THR B 48 ? 0.3609 0.3507 0.2712 -0.0080 0.0125 0.0387 18 THR B N 1601 C CA . THR B 48 ? 0.3882 0.3615 0.2891 -0.0079 0.0097 0.0446 18 THR B CA 1602 C C . THR B 48 ? 0.4793 0.4437 0.3728 0.0038 0.0040 0.0418 18 THR B C 1603 O O . THR B 48 ? 0.4747 0.4363 0.3685 0.0100 0.0006 0.0356 18 THR B O 1604 C CB . THR B 48 ? 0.5004 0.4571 0.3988 -0.0168 0.0082 0.0485 18 THR B CB 1605 O OG1 . THR B 48 ? 0.4920 0.4610 0.3990 -0.0260 0.0133 0.0494 18 THR B OG1 1606 C CG2 . THR B 48 ? 0.4910 0.4317 0.3795 -0.0199 0.0063 0.0568 18 THR B CG2 1607 N N . ASN B 49 ? 0.4650 0.4258 0.3513 0.0077 0.0028 0.0463 19 ASN B N 1608 C CA . ASN B 49 ? 0.4820 0.4350 0.3602 0.0197 -0.0029 0.0447 19 ASN B CA 1609 C C . ASN B 49 ? 0.5185 0.4903 0.4030 0.0291 -0.0032 0.0365 19 ASN B C 1610 O O . ASN B 49 ? 0.5262 0.4932 0.4091 0.0369 -0.0073 0.0307 19 ASN B O 1611 C CB . ASN B 49 ? 0.5394 0.4637 0.4071 0.0220 -0.0098 0.0457 19 ASN B CB 1612 C CG . ASN B 49 ? 1.0526 0.9641 0.9094 0.0351 -0.0168 0.0449 19 ASN B CG 1613 O OD1 . ASN B 49 ? 0.9952 0.9198 0.8516 0.0427 -0.0166 0.0445 19 ASN B OD1 1614 N ND2 . ASN B 49 ? 1.0894 0.9739 0.9364 0.0382 -0.0239 0.0443 19 ASN B ND2 1615 N N . GLY B 50 ? 0.4524 0.4461 0.3437 0.0277 0.0011 0.0361 20 GLY B N 1616 C CA . GLY B 50 ? 0.4371 0.4522 0.3354 0.0335 0.0016 0.0300 20 GLY B CA 1617 C C . GLY B 50 ? 0.4851 0.5054 0.3898 0.0317 0.0029 0.0248 20 GLY B C 1618 O O . GLY B 50 ? 0.4688 0.4912 0.3788 0.0223 0.0068 0.0259 20 GLY B O 1619 N N . THR B 51 ? 0.4498 0.4717 0.3532 0.0418 -0.0008 0.0188 21 THR B N 1620 C CA . THR B 51 ? 0.4436 0.4711 0.3513 0.0423 -0.0002 0.0131 21 THR B CA 1621 C C . THR B 51 ? 0.5024 0.5055 0.4036 0.0429 -0.0043 0.0114 21 THR B C 1622 O O . THR B 51 ? 0.4995 0.5040 0.4043 0.0397 -0.0034 0.0080 21 THR B O 1623 C CB . THR B 51 ? 0.5407 0.5888 0.4509 0.0533 -0.0015 0.0069 21 THR B CB 1624 O OG1 . THR B 51 ? 0.5966 0.6344 0.4983 0.0662 -0.0074 0.0044 21 THR B OG1 1625 C CG2 . THR B 51 ? 0.4764 0.5506 0.3942 0.0504 0.0022 0.0083 21 THR B CG2 1626 N N . GLU B 52 ? 0.4678 0.4480 0.3590 0.0468 -0.0095 0.0140 22 GLU B N 1627 C CA . GLU B 52 ? 0.4889 0.4415 0.3715 0.0477 -0.0153 0.0129 22 GLU B CA 1628 C C . GLU B 52 ? 0.5236 0.4695 0.4104 0.0354 -0.0133 0.0137 22 GLU B C 1629 O O . GLU B 52 ? 0.5329 0.4682 0.4170 0.0380 -0.0173 0.0082 22 GLU B O 1630 C CB . GLU B 52 ? 0.5305 0.4591 0.4020 0.0480 -0.0197 0.0194 22 GLU B CB 1631 C CG . GLU B 52 ? 0.7459 0.6423 0.6058 0.0508 -0.0279 0.0183 22 GLU B CG 1632 C CD . GLU B 52 ? 1.0879 0.9616 0.9436 0.0366 -0.0287 0.0262 22 GLU B CD 1633 O OE1 . GLU B 52 ? 1.0025 0.8848 0.8629 0.0257 -0.0228 0.0338 22 GLU B OE1 1634 O OE2 . GLU B 52 ? 1.0470 0.8946 0.8943 0.0364 -0.0356 0.0248 22 GLU B OE2 1635 N N . ARG B 53 ? 0.4526 0.4050 0.3455 0.0229 -0.0076 0.0199 23 ARG B N 1636 C CA . ARG B 53 ? 0.4439 0.3924 0.3414 0.0114 -0.0057 0.0211 23 ARG B CA 1637 C C . ARG B 53 ? 0.4493 0.4219 0.3580 0.0054 0.0013 0.0209 23 ARG B C 1638 O O . ARG B 53 ? 0.4328 0.4170 0.3445 0.0028 0.0055 0.0250 23 ARG B O 1639 C CB . ARG B 53 ? 0.4850 0.4154 0.3776 0.0015 -0.0065 0.0294 23 ARG B CB 1640 C CG . ARG B 53 ? 0.6641 0.5956 0.5630 -0.0118 -0.0036 0.0321 23 ARG B CG 1641 C CD . ARG B 53 ? 0.8551 0.7687 0.7511 -0.0146 -0.0093 0.0287 23 ARG B CD 1642 N NE . ARG B 53 ? 0.9822 0.9017 0.8860 -0.0274 -0.0062 0.0311 23 ARG B NE 1643 C CZ . ARG B 53 ? 1.1434 1.0723 1.0540 -0.0289 -0.0056 0.0254 23 ARG B CZ 1644 N NH1 . ARG B 53 ? 0.9807 0.9137 0.8909 -0.0188 -0.0076 0.0172 23 ARG B NH1 1645 N NH2 . ARG B 53 ? 0.9550 0.8904 0.8728 -0.0401 -0.0031 0.0279 23 ARG B NH2 1646 N N . VAL B 54 ? 0.3854 0.3642 0.2991 0.0040 0.0017 0.0159 24 VAL B N 1647 C CA . VAL B 54 ? 0.3514 0.3501 0.2743 -0.0011 0.0071 0.0154 24 VAL B CA 1648 C C . VAL B 54 ? 0.3659 0.3604 0.2923 -0.0086 0.0069 0.0142 24 VAL B C 1649 O O . VAL B 54 ? 0.3715 0.3568 0.2950 -0.0057 0.0026 0.0092 24 VAL B O 1650 C CB . VAL B 54 ? 0.3937 0.4112 0.3196 0.0063 0.0083 0.0104 24 VAL B CB 1651 C CG1 . VAL B 54 ? 0.3706 0.4053 0.3043 0.0000 0.0133 0.0116 24 VAL B CG1 1652 C CG2 . VAL B 54 ? 0.3977 0.4205 0.3205 0.0144 0.0075 0.0107 24 VAL B CG2 1653 N N . ARG B 55 ? 0.2943 0.2968 0.2268 -0.0173 0.0112 0.0180 25 ARG B N 1654 C CA . ARG B 55 ? 0.2823 0.2846 0.2194 -0.0246 0.0112 0.0171 25 ARG B CA 1655 C C . ARG B 55 ? 0.2914 0.3121 0.2360 -0.0273 0.0158 0.0170 25 ARG B C 1656 O O . ARG B 55 ? 0.2781 0.3070 0.2244 -0.0286 0.0195 0.0206 25 ARG B O 1657 C CB . ARG B 55 ? 0.2813 0.2722 0.2175 -0.0336 0.0106 0.0228 25 ARG B CB 1658 C CG . ARG B 55 ? 0.3744 0.3651 0.3155 -0.0419 0.0098 0.0221 25 ARG B CG 1659 C CD . ARG B 55 ? 0.4681 0.4571 0.4107 -0.0519 0.0117 0.0294 25 ARG B CD 1660 N NE . ARG B 55 ? 0.5770 0.5669 0.5249 -0.0610 0.0103 0.0292 25 ARG B NE 1661 C CZ . ARG B 55 ? 0.7846 0.7726 0.7340 -0.0715 0.0108 0.0353 25 ARG B CZ 1662 N NH1 . ARG B 55 ? 0.6775 0.6617 0.6226 -0.0739 0.0128 0.0424 25 ARG B NH1 1663 N NH2 . ARG B 55 ? 0.6141 0.6053 0.5693 -0.0800 0.0092 0.0348 25 ARG B NH2 1664 N N . LEU B 56 ? 0.2269 0.2527 0.1746 -0.0276 0.0150 0.0127 26 LEU B N 1665 C CA . LEU B 56 ? 0.1945 0.2351 0.1479 -0.0298 0.0183 0.0127 26 LEU B CA 1666 C C . LEU B 56 ? 0.2054 0.2469 0.1638 -0.0369 0.0183 0.0132 26 LEU B C 1667 O O . LEU B 56 ? 0.1879 0.2206 0.1457 -0.0395 0.0148 0.0112 26 LEU B O 1668 C CB . LEU B 56 ? 0.1891 0.2390 0.1423 -0.0243 0.0180 0.0083 26 LEU B CB 1669 C CG . LEU B 56 ? 0.2473 0.2985 0.2015 -0.0243 0.0156 0.0036 26 LEU B CG 1670 C CD1 . LEU B 56 ? 0.2442 0.3053 0.2033 -0.0284 0.0176 0.0047 26 LEU B CD1 1671 C CD2 . LEU B 56 ? 0.2805 0.3371 0.2311 -0.0171 0.0143 -0.0009 26 LEU B CD2 1672 N N . VAL B 57 ? 0.1448 0.1970 0.1076 -0.0397 0.0217 0.0155 27 VAL B N 1673 C CA . VAL B 57 ? 0.1314 0.1898 0.1001 -0.0450 0.0222 0.0158 27 VAL B CA 1674 C C . VAL B 57 ? 0.1799 0.2502 0.1510 -0.0426 0.0240 0.0147 27 VAL B C 1675 O O . VAL B 57 ? 0.1755 0.2499 0.1457 -0.0409 0.0266 0.0170 27 VAL B O 1676 C CB . VAL B 57 ? 0.1723 0.2314 0.1437 -0.0517 0.0240 0.0205 27 VAL B CB 1677 C CG1 . VAL B 57 ? 0.1645 0.2321 0.1427 -0.0571 0.0235 0.0195 27 VAL B CG1 1678 C CG2 . VAL B 57 ? 0.1813 0.2260 0.1482 -0.0546 0.0220 0.0233 27 VAL B CG2 1679 N N . THR B 58 ? 0.1365 0.2110 0.1097 -0.0422 0.0221 0.0113 28 THR B N 1680 C CA . THR B 58 ? 0.1232 0.2069 0.0976 -0.0400 0.0230 0.0109 28 THR B CA 1681 C C . THR B 58 ? 0.1658 0.2569 0.1461 -0.0434 0.0232 0.0111 28 THR B C 1682 O O . THR B 58 ? 0.1699 0.2606 0.1537 -0.0476 0.0215 0.0100 28 THR B O 1683 C CB . THR B 58 ? 0.1657 0.2511 0.1373 -0.0366 0.0209 0.0078 28 THR B CB 1684 O OG1 . THR B 58 ? 0.1561 0.2402 0.1290 -0.0377 0.0179 0.0042 28 THR B OG1 1685 C CG2 . THR B 58 ? 0.1401 0.2230 0.1067 -0.0332 0.0214 0.0080 28 THR B CG2 1686 N N . ARG B 59 ? 0.1155 0.2137 0.0968 -0.0415 0.0250 0.0124 29 ARG B N 1687 C CA . ARG B 59 ? 0.1124 0.2210 0.0996 -0.0431 0.0256 0.0124 29 ARG B CA 1688 C C . ARG B 59 ? 0.1546 0.2694 0.1417 -0.0384 0.0241 0.0104 29 ARG B C 1689 O O . ARG B 59 ? 0.1387 0.2502 0.1207 -0.0342 0.0241 0.0109 29 ARG B O 1690 C CB . ARG B 59 ? 0.1152 0.2275 0.1031 -0.0441 0.0292 0.0157 29 ARG B CB 1691 C CG . ARG B 59 ? 0.2445 0.3484 0.2304 -0.0482 0.0304 0.0188 29 ARG B CG 1692 C CD . ARG B 59 ? 0.2695 0.3770 0.2543 -0.0486 0.0340 0.0225 29 ARG B CD 1693 N NE . ARG B 59 ? 0.1853 0.2827 0.1665 -0.0519 0.0345 0.0258 29 ARG B NE 1694 C CZ . ARG B 59 ? 0.2202 0.3151 0.2034 -0.0589 0.0341 0.0286 29 ARG B CZ 1695 N NH1 . ARG B 59 ? 0.0450 0.0722 0.0383 -0.0155 -0.0014 0.0031 29 ARG B NH1 1696 N NH2 . ARG B 59 ? 0.0996 0.1779 0.0784 -0.0564 0.0260 0.0271 29 ARG B NH2 1697 N N . TYR B 60 ? 0.1265 0.2493 0.1187 -0.0396 0.0221 0.0082 30 TYR B N 1698 C CA . TYR B 60 ? 0.1206 0.2501 0.1131 -0.0349 0.0198 0.0061 30 TYR B CA 1699 C C . TYR B 60 ? 0.1663 0.3101 0.1653 -0.0341 0.0210 0.0059 30 TYR B C 1700 O O . TYR B 60 ? 0.1707 0.3237 0.1768 -0.0391 0.0212 0.0057 30 TYR B O 1701 C CB . TYR B 60 ? 0.1274 0.2572 0.1207 -0.0360 0.0162 0.0032 30 TYR B CB 1702 C CG . TYR B 60 ? 0.1366 0.2557 0.1229 -0.0350 0.0152 0.0030 30 TYR B CG 1703 C CD1 . TYR B 60 ? 0.1565 0.2683 0.1416 -0.0381 0.0157 0.0029 30 TYR B CD1 1704 C CD2 . TYR B 60 ? 0.1422 0.2593 0.1224 -0.0307 0.0135 0.0032 30 TYR B CD2 1705 C CE1 . TYR B 60 ? 0.1628 0.2684 0.1419 -0.0361 0.0151 0.0023 30 TYR B CE1 1706 C CE2 . TYR B 60 ? 0.1469 0.2580 0.1211 -0.0303 0.0132 0.0035 30 TYR B CE2 1707 C CZ . TYR B 60 ? 0.2075 0.3142 0.1816 -0.0326 0.0142 0.0027 30 TYR B CZ 1708 O OH . TYR B 60 ? 0.1493 0.2532 0.1180 -0.0311 0.0141 0.0025 30 TYR B OH 1709 N N . ILE B 61 ? 0.1106 0.2563 0.1065 -0.0279 0.0217 0.0060 31 ILE B N 1710 C CA . ILE B 61 ? 0.1051 0.2652 0.1054 -0.0247 0.0233 0.0054 31 ILE B CA 1711 C C . ILE B 61 ? 0.1565 0.3226 0.1553 -0.0157 0.0202 0.0024 31 ILE B C 1712 O O . ILE B 61 ? 0.1466 0.3011 0.1372 -0.0103 0.0177 0.0020 31 ILE B O 1713 C CB . ILE B 61 ? 0.1472 0.3031 0.1434 -0.0239 0.0270 0.0078 31 ILE B CB 1714 C CG1 . ILE B 61 ? 0.1545 0.3057 0.1522 -0.0322 0.0297 0.0111 31 ILE B CG1 1715 C CG2 . ILE B 61 ? 0.1434 0.3146 0.1423 -0.0192 0.0292 0.0069 31 ILE B CG2 1716 C CD1 . ILE B 61 ? 0.1974 0.3351 0.1877 -0.0316 0.0310 0.0131 31 ILE B CD1 1717 N N . TYR B 62 ? 0.1189 0.3036 0.1256 -0.0144 0.0200 0.0004 32 TYR B N 1718 C CA . TYR B 62 ? 0.1177 0.3106 0.1236 -0.0043 0.0167 -0.0029 32 TYR B CA 1719 C C . TYR B 62 ? 0.1697 0.3780 0.1785 0.0005 0.0199 -0.0039 32 TYR B C 1720 O O . TYR B 62 ? 0.1537 0.3801 0.1716 -0.0045 0.0232 -0.0031 32 TYR B O 1721 C CB . TYR B 62 ? 0.1291 0.3336 0.1417 -0.0052 0.0133 -0.0052 32 TYR B CB 1722 C CG . TYR B 62 ? 0.1433 0.3574 0.1551 0.0061 0.0094 -0.0088 32 TYR B CG 1723 C CD1 . TYR B 62 ? 0.1698 0.3681 0.1708 0.0140 0.0048 -0.0096 32 TYR B CD1 1724 C CD2 . TYR B 62 ? 0.1444 0.3837 0.1661 0.0085 0.0099 -0.0113 32 TYR B CD2 1725 C CE1 . TYR B 62 ? 0.1780 0.3827 0.1769 0.0253 0.0003 -0.0129 32 TYR B CE1 1726 C CE2 . TYR B 62 ? 0.1563 0.4050 0.1770 0.0203 0.0059 -0.0150 32 TYR B CE2 1727 C CZ . TYR B 62 ? 0.2566 0.4863 0.2653 0.0291 0.0009 -0.0159 32 TYR B CZ 1728 O OH . TYR B 62 ? 0.2652 0.5020 0.2715 0.0417 -0.0039 -0.0197 32 TYR B OH 1729 N N . ASN B 63 ? 0.1366 0.3371 0.1366 0.0104 0.0184 -0.0056 33 ASN B N 1730 C CA . ASN B 63 ? 0.1329 0.3449 0.1325 0.0171 0.0211 -0.0072 33 ASN B CA 1731 C C . ASN B 63 ? 0.1873 0.3985 0.1886 0.0078 0.0268 -0.0031 33 ASN B C 1732 O O . ASN B 63 ? 0.1925 0.3845 0.1866 0.0052 0.0267 -0.0010 33 ASN B O 1733 C CB . ASN B 63 ? 0.1117 0.3509 0.1197 0.0234 0.0211 -0.0107 33 ASN B CB 1734 C CG . ASN B 63 ? 0.3326 0.5695 0.3368 0.0343 0.0146 -0.0149 33 ASN B CG 1735 O OD1 . ASN B 63 ? 0.1852 0.4020 0.1778 0.0417 0.0102 -0.0162 33 ASN B OD1 1736 N ND2 . ASN B 63 ? 0.2428 0.5008 0.2567 0.0348 0.0136 -0.0168 33 ASN B ND2 1737 N N . ARG B 64 ? 0.1493 0.3817 0.1595 0.0031 0.0315 -0.0016 34 ARG B N 1738 C CA . ARG B 64 ? 0.1540 0.3846 0.1650 -0.0063 0.0364 0.0033 34 ARG B CA 1739 C C . ARG B 64 ? 0.2136 0.4471 0.2329 -0.0194 0.0374 0.0069 34 ARG B C 1740 O O . ARG B 64 ? 0.2169 0.4497 0.2373 -0.0277 0.0409 0.0113 34 ARG B O 1741 C CB . ARG B 64 ? 0.1358 0.3850 0.1478 -0.0031 0.0412 0.0037 34 ARG B CB 1742 C CG . ARG B 64 ? 0.1498 0.3885 0.1505 0.0077 0.0404 0.0008 34 ARG B CG 1743 C CD . ARG B 64 ? 0.2272 0.4875 0.2288 0.0126 0.0448 0.0001 34 ARG B CD 1744 N NE . ARG B 64 ? 0.4251 0.6887 0.4284 0.0021 0.0503 0.0062 34 ARG B NE 1745 C CZ . ARG B 64 ? 0.7031 0.9837 0.7057 0.0040 0.0551 0.0074 34 ARG B CZ 1746 N NH1 . ARG B 64 ? 0.5770 0.8586 0.5797 -0.0060 0.0596 0.0139 34 ARG B NH1 1747 N NH2 . ARG B 64 ? 0.6123 0.9088 0.6128 0.0167 0.0552 0.0020 34 ARG B NH2 1748 N N . GLU B 65 ? 0.1594 0.3947 0.1835 -0.0210 0.0337 0.0050 35 GLU B N 1749 C CA . GLU B 65 ? 0.1520 0.3894 0.1835 -0.0330 0.0333 0.0073 35 GLU B CA 1750 C C . GLU B 65 ? 0.1834 0.3972 0.2098 -0.0376 0.0304 0.0079 35 GLU B C 1751 O O . GLU B 65 ? 0.1684 0.3731 0.1909 -0.0328 0.0267 0.0051 35 GLU B O 1752 C CB . GLU B 65 ? 0.1690 0.4273 0.2101 -0.0321 0.0306 0.0041 35 GLU B CB 1753 C CG . GLU B 65 ? 0.3060 0.5692 0.3556 -0.0442 0.0287 0.0053 35 GLU B CG 1754 C CD . GLU B 65 ? 0.5618 0.8443 0.6196 -0.0415 0.0249 0.0011 35 GLU B CD 1755 O OE1 . GLU B 65 ? 0.5406 0.8423 0.6014 -0.0327 0.0256 -0.0012 35 GLU B OE1 1756 O OE2 . GLU B 65 ? 0.4161 0.6952 0.4768 -0.0470 0.0208 -0.0003 35 GLU B OE2 1757 N N . GLU B 66 ? 0.1363 0.3411 0.1625 -0.0469 0.0321 0.0118 36 GLU B N 1758 C CA . GLU B 66 ? 0.1343 0.3188 0.1557 -0.0504 0.0294 0.0118 36 GLU B CA 1759 C C . GLU B 66 ? 0.1777 0.3671 0.2057 -0.0563 0.0257 0.0097 36 GLU B C 1760 O O . GLU B 66 ? 0.1878 0.3864 0.2227 -0.0650 0.0260 0.0116 36 GLU B O 1761 C CB . GLU B 66 ? 0.1557 0.3280 0.1734 -0.0566 0.0319 0.0162 36 GLU B CB 1762 C CG . GLU B 66 ? 0.2740 0.4254 0.2856 -0.0579 0.0292 0.0156 36 GLU B CG 1763 C CD . GLU B 66 ? 0.5675 0.7066 0.5736 -0.0605 0.0314 0.0196 36 GLU B CD 1764 O OE1 . GLU B 66 ? 0.6148 0.7590 0.6195 -0.0589 0.0350 0.0223 36 GLU B OE1 1765 O OE2 . GLU B 66 ? 0.4572 0.5816 0.4597 -0.0632 0.0292 0.0197 36 GLU B OE2 1766 N N . TYR B 67 ? 0.1115 0.2942 0.1365 -0.0519 0.0217 0.0060 37 TYR B N 1767 C CA . TYR B 67 ? 0.1133 0.3017 0.1440 -0.0566 0.0175 0.0033 37 TYR B CA 1768 C C . TYR B 67 ? 0.1747 0.3449 0.2007 -0.0607 0.0143 0.0021 37 TYR B C 1769 O O . TYR B 67 ? 0.1759 0.3481 0.2060 -0.0666 0.0105 -0.0001 37 TYR B O 1770 C CB . TYR B 67 ? 0.1215 0.3203 0.1534 -0.0483 0.0145 -0.0007 37 TYR B CB 1771 C CG . TYR B 67 ? 0.1213 0.3055 0.1432 -0.0402 0.0124 -0.0022 37 TYR B CG 1772 C CD1 . TYR B 67 ? 0.1460 0.3215 0.1644 -0.0410 0.0085 -0.0047 37 TYR B CD1 1773 C CD2 . TYR B 67 ? 0.1161 0.2962 0.1316 -0.0320 0.0139 -0.0013 37 TYR B CD2 1774 C CE1 . TYR B 67 ? 0.1379 0.3023 0.1470 -0.0346 0.0069 -0.0051 37 TYR B CE1 1775 C CE2 . TYR B 67 ? 0.1204 0.2872 0.1266 -0.0264 0.0116 -0.0017 37 TYR B CE2 1776 C CZ . TYR B 67 ? 0.1734 0.3336 0.1766 -0.0280 0.0085 -0.0032 37 TYR B CZ 1777 O OH . TYR B 67 ? 0.1346 0.2848 0.1287 -0.0233 0.0064 -0.0028 37 TYR B OH 1778 N N . ALA B 68 ? 0.1405 0.2940 0.1577 -0.0572 0.0153 0.0029 38 ALA B N 1779 C CA . ALA B 68 ? 0.1422 0.2796 0.1538 -0.0588 0.0124 0.0011 38 ALA B CA 1780 C C . ALA B 68 ? 0.1899 0.3133 0.1945 -0.0571 0.0151 0.0038 38 ALA B C 1781 O O . ALA B 68 ? 0.1874 0.3125 0.1898 -0.0530 0.0186 0.0062 38 ALA B O 1782 C CB . ALA B 68 ? 0.1527 0.2892 0.1604 -0.0527 0.0091 -0.0030 38 ALA B CB 1783 N N . ARG B 69 ? 0.1526 0.2622 0.1534 -0.0601 0.0130 0.0030 39 ARG B N 1784 C CA . ARG B 69 ? 0.1514 0.2484 0.1456 -0.0580 0.0148 0.0051 39 ARG B CA 1785 C C . ARG B 69 ? 0.1996 0.2825 0.1878 -0.0567 0.0110 0.0016 39 ARG B C 1786 O O . ARG B 69 ? 0.1975 0.2763 0.1865 -0.0602 0.0066 -0.0016 39 ARG B O 1787 C CB . ARG B 69 ? 0.1654 0.2607 0.1611 -0.0633 0.0177 0.0102 39 ARG B CB 1788 C CG . ARG B 69 ? 0.2795 0.3672 0.2768 -0.0723 0.0148 0.0114 39 ARG B CG 1789 C CD . ARG B 69 ? 0.2699 0.3510 0.2648 -0.0764 0.0173 0.0173 39 ARG B CD 1790 N NE . ARG B 69 ? 0.3333 0.4311 0.3337 -0.0786 0.0222 0.0215 39 ARG B NE 1791 C CZ . ARG B 69 ? 0.4913 0.5983 0.4975 -0.0877 0.0231 0.0253 39 ARG B CZ 1792 N NH1 . ARG B 69 ? 0.3387 0.4374 0.3460 -0.0971 0.0189 0.0262 39 ARG B NH1 1793 N NH2 . ARG B 69 ? 0.2850 0.4100 0.2958 -0.0877 0.0279 0.0283 39 ARG B NH2 1794 N N . PHE B 70 ? 0.1455 0.2215 0.1274 -0.0512 0.0124 0.0021 40 PHE B N 1795 C CA . PHE B 70 ? 0.1433 0.2070 0.1188 -0.0482 0.0094 -0.0011 40 PHE B CA 1796 C C . PHE B 70 ? 0.1927 0.2463 0.1649 -0.0487 0.0108 0.0026 40 PHE B C 1797 O O . PHE B 70 ? 0.1679 0.2254 0.1394 -0.0462 0.0146 0.0058 40 PHE B O 1798 C CB . PHE B 70 ? 0.1582 0.2255 0.1290 -0.0406 0.0093 -0.0044 40 PHE B CB 1799 C CG . PHE B 70 ? 0.1856 0.2427 0.1497 -0.0358 0.0062 -0.0084 40 PHE B CG 1800 C CD1 . PHE B 70 ? 0.2276 0.2794 0.1875 -0.0319 0.0077 -0.0068 40 PHE B CD1 1801 C CD2 . PHE B 70 ? 0.2178 0.2708 0.1792 -0.0344 0.0014 -0.0144 40 PHE B CD2 1802 C CE1 . PHE B 70 ? 0.2472 0.2906 0.2006 -0.0257 0.0045 -0.0112 40 PHE B CE1 1803 C CE2 . PHE B 70 ? 0.2634 0.3069 0.2176 -0.0283 -0.0019 -0.0191 40 PHE B CE2 1804 C CZ . PHE B 70 ? 0.2407 0.2796 0.1909 -0.0236 -0.0003 -0.0175 40 PHE B CZ 1805 N N . ASP B 71 ? 0.1821 0.2218 0.1517 -0.0521 0.0070 0.0020 41 ASP B N 1806 C CA . ASP B 71 ? 0.1918 0.2187 0.1566 -0.0525 0.0070 0.0056 41 ASP B CA 1807 C C . ASP B 71 ? 0.2619 0.2746 0.2185 -0.0457 0.0022 0.0006 41 ASP B C 1808 O O . ASP B 71 ? 0.2737 0.2785 0.2284 -0.0465 -0.0030 -0.0043 41 ASP B O 1809 C CB . ASP B 71 ? 0.2216 0.2427 0.1891 -0.0631 0.0059 0.0103 41 ASP B CB 1810 C CG . ASP B 71 ? 0.3550 0.3628 0.3169 -0.0649 0.0060 0.0157 41 ASP B CG 1811 O OD1 . ASP B 71 ? 0.3571 0.3598 0.3132 -0.0570 0.0067 0.0155 41 ASP B OD1 1812 O OD2 . ASP B 71 ? 0.4376 0.4410 0.4010 -0.0746 0.0053 0.0206 41 ASP B OD2 1813 N N . SER B 72 ? 0.2253 0.2360 0.1769 -0.0383 0.0036 0.0011 42 SER B N 1814 C CA . SER B 72 ? 0.2402 0.2412 0.1840 -0.0291 -0.0004 -0.0041 42 SER B CA 1815 C C . SER B 72 ? 0.3257 0.3035 0.2629 -0.0308 -0.0071 -0.0056 42 SER B C 1816 O O . SER B 72 ? 0.3377 0.3063 0.2687 -0.0241 -0.0124 -0.0124 42 SER B O 1817 C CB . SER B 72 ? 0.2738 0.2798 0.2149 -0.0219 0.0027 -0.0023 42 SER B CB 1818 O OG . SER B 72 ? 0.4043 0.4026 0.3440 -0.0250 0.0038 0.0037 42 SER B OG 1819 N N . ASP B 73 ? 0.2909 0.2590 0.2288 -0.0399 -0.0073 0.0008 43 ASP B N 1820 C CA . ASP B 73 ? 0.3133 0.2571 0.2445 -0.0443 -0.0142 0.0012 43 ASP B CA 1821 C C . ASP B 73 ? 0.3679 0.3074 0.3012 -0.0507 -0.0192 -0.0032 43 ASP B C 1822 O O . ASP B 73 ? 0.3876 0.3050 0.3133 -0.0514 -0.0270 -0.0064 43 ASP B O 1823 C CB . ASP B 73 ? 0.3385 0.2764 0.2701 -0.0538 -0.0123 0.0107 43 ASP B CB 1824 C CG . ASP B 73 ? 0.4803 0.4181 0.4076 -0.0476 -0.0090 0.0151 43 ASP B CG 1825 O OD1 . ASP B 73 ? 0.4835 0.4210 0.4061 -0.0356 -0.0100 0.0104 43 ASP B OD1 1826 O OD2 . ASP B 73 ? 0.5773 0.5167 0.5060 -0.0547 -0.0056 0.0230 43 ASP B OD2 1827 N N . VAL B 74 ? 0.3070 0.2664 0.2498 -0.0551 -0.0154 -0.0035 44 VAL B N 1828 C CA . VAL B 74 ? 0.3126 0.2725 0.2588 -0.0609 -0.0198 -0.0080 44 VAL B CA 1829 C C . VAL B 74 ? 0.3556 0.3177 0.2974 -0.0496 -0.0225 -0.0174 44 VAL B C 1830 O O . VAL B 74 ? 0.3770 0.3243 0.3128 -0.0486 -0.0300 -0.0237 44 VAL B O 1831 C CB . VAL B 74 ? 0.3471 0.3281 0.3052 -0.0700 -0.0150 -0.0039 44 VAL B CB 1832 C CG1 . VAL B 74 ? 0.3491 0.3321 0.3109 -0.0756 -0.0201 -0.0089 44 VAL B CG1 1833 C CG2 . VAL B 74 ? 0.3462 0.3272 0.3079 -0.0805 -0.0120 0.0052 44 VAL B CG2 1834 N N . GLY B 75 ? 0.2774 0.2572 0.2211 -0.0415 -0.0168 -0.0181 45 GLY B N 1835 C CA . GLY B 75 ? 0.2688 0.2545 0.2081 -0.0310 -0.0182 -0.0258 45 GLY B CA 1836 C C . GLY B 75 ? 0.2953 0.2960 0.2393 -0.0324 -0.0179 -0.0291 45 GLY B C 1837 O O . GLY B 75 ? 0.3038 0.3114 0.2438 -0.0240 -0.0186 -0.0348 45 GLY B O 1838 N N . VAL B 76 ? 0.2196 0.2268 0.1718 -0.0424 -0.0169 -0.0255 46 VAL B N 1839 C CA . VAL B 76 ? 0.2023 0.2246 0.1597 -0.0441 -0.0168 -0.0278 46 VAL B CA 1840 C C . VAL B 76 ? 0.2547 0.2920 0.2218 -0.0505 -0.0112 -0.0210 46 VAL B C 1841 O O . VAL B 76 ? 0.2550 0.2894 0.2249 -0.0556 -0.0085 -0.0151 46 VAL B O 1842 C CB . VAL B 76 ? 0.2594 0.2735 0.2161 -0.0488 -0.0246 -0.0337 46 VAL B CB 1843 C CG1 . VAL B 76 ? 0.2645 0.2695 0.2109 -0.0393 -0.0300 -0.0427 46 VAL B CG1 1844 C CG2 . VAL B 76 ? 0.2689 0.2683 0.2277 -0.0600 -0.0283 -0.0304 46 VAL B CG2 1845 N N . TYR B 77 ? 0.1983 0.2514 0.1696 -0.0496 -0.0098 -0.0219 47 TYR B N 1846 C CA . TYR B 77 ? 0.1758 0.2432 0.1556 -0.0540 -0.0056 -0.0168 47 TYR B CA 1847 C C . TYR B 77 ? 0.2373 0.3058 0.2243 -0.0643 -0.0084 -0.0158 47 TYR B C 1848 O O . TYR B 77 ? 0.2311 0.2939 0.2175 -0.0677 -0.0144 -0.0205 47 TYR B O 1849 C CB . TYR B 77 ? 0.1721 0.2540 0.1528 -0.0490 -0.0045 -0.0181 47 TYR B CB 1850 C CG . TYR B 77 ? 0.1807 0.2653 0.1562 -0.0418 -0.0004 -0.0162 47 TYR B CG 1851 C CD1 . TYR B 77 ? 0.1980 0.2796 0.1659 -0.0354 -0.0016 -0.0198 47 TYR B CD1 1852 C CD2 . TYR B 77 ? 0.1806 0.2716 0.1587 -0.0416 0.0043 -0.0109 47 TYR B CD2 1853 C CE1 . TYR B 77 ? 0.1850 0.2715 0.1490 -0.0303 0.0021 -0.0172 47 TYR B CE1 1854 C CE2 . TYR B 77 ? 0.1827 0.2754 0.1561 -0.0365 0.0072 -0.0087 47 TYR B CE2 1855 C CZ . TYR B 77 ? 0.2473 0.3385 0.2141 -0.0316 0.0063 -0.0115 47 TYR B CZ 1856 O OH . TYR B 77 ? 0.1987 0.2939 0.1616 -0.0282 0.0092 -0.0087 47 TYR B OH 1857 N N . ARG B 78 ? 0.2030 0.2794 0.1965 -0.0695 -0.0043 -0.0099 48 ARG B N 1858 C CA . ARG B 78 ? 0.2055 0.2881 0.2071 -0.0800 -0.0058 -0.0078 48 ARG B CA 1859 C C . ARG B 78 ? 0.2438 0.3480 0.2537 -0.0797 -0.0013 -0.0049 48 ARG B C 1860 O O . ARG B 78 ? 0.2301 0.3388 0.2387 -0.0740 0.0038 -0.0020 48 ARG B O 1861 C CB . ARG B 78 ? 0.2117 0.2814 0.2121 -0.0880 -0.0058 -0.0028 48 ARG B CB 1862 C CG . ARG B 78 ? 0.3811 0.4269 0.3730 -0.0893 -0.0124 -0.0062 48 ARG B CG 1863 C CD . ARG B 78 ? 0.5423 0.5836 0.5376 -0.1004 -0.0191 -0.0080 48 ARG B CD 1864 N NE . ARG B 78 ? 0.7103 0.7268 0.6955 -0.0993 -0.0269 -0.0133 48 ARG B NE 1865 C CZ . ARG B 78 ? 0.9053 0.8994 0.8838 -0.1040 -0.0304 -0.0107 48 ARG B CZ 1866 N NH1 . ARG B 78 ? 0.6978 0.6921 0.6786 -0.1110 -0.0263 -0.0019 48 ARG B NH1 1867 N NH2 . ARG B 78 ? 0.7552 0.7260 0.7236 -0.1010 -0.0383 -0.0168 48 ARG B NH2 1868 N N . ALA B 79 ? 0.1992 0.3171 0.2172 -0.0852 -0.0038 -0.0063 49 ALA B N 1869 C CA . ALA B 79 ? 0.1802 0.3206 0.2068 -0.0847 -0.0003 -0.0041 49 ALA B CA 1870 C C . ALA B 79 ? 0.2239 0.3691 0.2550 -0.0923 0.0040 0.0025 49 ALA B C 1871 O O . ALA B 79 ? 0.2195 0.3519 0.2488 -0.1008 0.0023 0.0050 49 ALA B O 1872 C CB . ALA B 79 ? 0.1877 0.3427 0.2218 -0.0882 -0.0049 -0.0080 49 ALA B CB 1873 N N . VAL B 80 ? 0.1703 0.3321 0.2055 -0.0885 0.0093 0.0053 50 VAL B N 1874 C CA . VAL B 80 ? 0.1710 0.3404 0.2097 -0.0945 0.0141 0.0116 50 VAL B CA 1875 C C . VAL B 80 ? 0.2080 0.4059 0.2585 -0.0985 0.0152 0.0122 50 VAL B C 1876 O O . VAL B 80 ? 0.2157 0.4240 0.2719 -0.1084 0.0173 0.0173 50 VAL B O 1877 C CB . VAL B 80 ? 0.2218 0.3864 0.2538 -0.0862 0.0194 0.0142 50 VAL B CB 1878 C CG1 . VAL B 80 ? 0.2228 0.3960 0.2572 -0.0919 0.0244 0.0207 50 VAL B CG1 1879 C CG2 . VAL B 80 ? 0.2240 0.3640 0.2454 -0.0823 0.0180 0.0134 50 VAL B CG2 1880 N N . THR B 81 ? 0.1372 0.3486 0.1913 -0.0909 0.0134 0.0073 51 THR B N 1881 C CA . THR B 81 ? 0.1219 0.3627 0.1875 -0.0921 0.0137 0.0066 51 THR B CA 1882 C C . THR B 81 ? 0.1591 0.4047 0.2279 -0.0904 0.0073 0.0005 51 THR B C 1883 O O . THR B 81 ? 0.1401 0.3669 0.2008 -0.0857 0.0039 -0.0029 51 THR B O 1884 C CB . THR B 81 ? 0.1669 0.4225 0.2323 -0.0803 0.0185 0.0066 51 THR B CB 1885 O OG1 . THR B 81 ? 0.1425 0.3875 0.2003 -0.0678 0.0164 0.0023 51 THR B OG1 1886 C CG2 . THR B 81 ? 0.1463 0.3986 0.2078 -0.0807 0.0245 0.0119 51 THR B CG2 1887 N N . PRO B 82 ? 0.1222 0.3947 0.2024 -0.0928 0.0057 -0.0011 52 PRO B N 1888 C CA . PRO B 82 ? 0.1244 0.4015 0.2068 -0.0902 -0.0008 -0.0071 52 PRO B CA 1889 C C . PRO B 82 ? 0.1870 0.4569 0.2609 -0.0746 -0.0021 -0.0111 52 PRO B C 1890 O O . PRO B 82 ? 0.1897 0.4607 0.2630 -0.0715 -0.0075 -0.0157 52 PRO B O 1891 C CB . PRO B 82 ? 0.1425 0.4540 0.2394 -0.0943 -0.0012 -0.0073 52 PRO B CB 1892 C CG . PRO B 82 ? 0.1940 0.5144 0.2964 -0.1053 0.0040 -0.0007 52 PRO B CG 1893 C CD . PRO B 82 ? 0.1334 0.4351 0.2251 -0.0985 0.0094 0.0024 52 PRO B CD 1894 N N . LEU B 83 ? 0.1481 0.4097 0.2146 -0.0656 0.0024 -0.0091 53 LEU B N 1895 C CA . LEU B 83 ? 0.1456 0.3969 0.2024 -0.0525 0.0014 -0.0112 53 LEU B CA 1896 C C . LEU B 83 ? 0.2058 0.4305 0.2517 -0.0529 -0.0002 -0.0117 53 LEU B C 1897 O O . LEU B 83 ? 0.2123 0.4291 0.2506 -0.0449 -0.0027 -0.0137 53 LEU B O 1898 C CB . LEU B 83 ? 0.1431 0.3963 0.1966 -0.0445 0.0065 -0.0088 53 LEU B CB 1899 C CG . LEU B 83 ? 0.2060 0.4535 0.2509 -0.0306 0.0051 -0.0106 53 LEU B CG 1900 C CD1 . LEU B 83 ? 0.2124 0.4777 0.2618 -0.0235 0.0004 -0.0146 53 LEU B CD1 1901 C CD2 . LEU B 83 ? 0.2347 0.4829 0.2765 -0.0244 0.0096 -0.0086 53 LEU B CD2 1902 N N . GLY B 84 ? 0.1602 0.3724 0.2052 -0.0620 0.0009 -0.0096 54 GLY B N 1903 C CA . GLY B 84 ? 0.1547 0.3436 0.1899 -0.0620 -0.0003 -0.0103 54 GLY B CA 1904 C C . GLY B 84 ? 0.2007 0.3812 0.2331 -0.0646 -0.0062 -0.0149 54 GLY B C 1905 O O . GLY B 84 ? 0.2002 0.3661 0.2231 -0.0596 -0.0069 -0.0163 54 GLY B O 1906 N N . PRO B 85 ? 0.1499 0.3390 0.1897 -0.0725 -0.0108 -0.0175 55 PRO B N 1907 C CA . PRO B 85 ? 0.1529 0.3313 0.1882 -0.0744 -0.0171 -0.0228 55 PRO B CA 1908 C C . PRO B 85 ? 0.1982 0.3739 0.2251 -0.0638 -0.0194 -0.0265 55 PRO B C 1909 O O . PRO B 85 ? 0.1876 0.3477 0.2057 -0.0620 -0.0213 -0.0292 55 PRO B O 1910 C CB . PRO B 85 ? 0.1787 0.3722 0.2248 -0.0837 -0.0218 -0.0249 55 PRO B CB 1911 C CG . PRO B 85 ? 0.2295 0.4353 0.2847 -0.0907 -0.0172 -0.0193 55 PRO B CG 1912 C CD . PRO B 85 ? 0.1637 0.3733 0.2162 -0.0807 -0.0107 -0.0160 55 PRO B CD 1913 N N . PRO B 86 ? 0.1726 0.3619 0.2005 -0.0561 -0.0192 -0.0266 56 PRO B N 1914 C CA . PRO B 86 ? 0.1784 0.3628 0.1965 -0.0472 -0.0215 -0.0289 56 PRO B CA 1915 C C . PRO B 86 ? 0.2441 0.4123 0.2513 -0.0424 -0.0177 -0.0263 56 PRO B C 1916 O O . PRO B 86 ? 0.2597 0.4206 0.2582 -0.0389 -0.0198 -0.0288 56 PRO B O 1917 C CB . PRO B 86 ? 0.1949 0.3949 0.2158 -0.0402 -0.0219 -0.0280 56 PRO B CB 1918 C CG . PRO B 86 ? 0.2453 0.4634 0.2798 -0.0463 -0.0220 -0.0281 56 PRO B CG 1919 C CD . PRO B 86 ? 0.1858 0.3957 0.2229 -0.0545 -0.0177 -0.0248 56 PRO B CD 1920 N N . ALA B 87 ? 0.1946 0.3585 0.2022 -0.0426 -0.0122 -0.0216 57 ALA B N 1921 C CA . ALA B 87 ? 0.1931 0.3435 0.1915 -0.0390 -0.0088 -0.0190 57 ALA B CA 1922 C C . ALA B 87 ? 0.2498 0.3872 0.2451 -0.0430 -0.0090 -0.0207 57 ALA B C 1923 O O . ALA B 87 ? 0.2594 0.3894 0.2464 -0.0392 -0.0095 -0.0223 57 ALA B O 1924 C CB . ALA B 87 ? 0.1935 0.3438 0.1929 -0.0375 -0.0037 -0.0140 57 ALA B CB 1925 N N . ALA B 88 ? 0.1977 0.3329 0.1992 -0.0506 -0.0090 -0.0204 58 ALA B N 1926 C CA . ALA B 88 ? 0.1984 0.3187 0.1965 -0.0545 -0.0103 -0.0219 58 ALA B CA 1927 C C . ALA B 88 ? 0.2369 0.3508 0.2295 -0.0531 -0.0163 -0.0286 58 ALA B C 1928 O O . ALA B 88 ? 0.2204 0.3228 0.2048 -0.0492 -0.0166 -0.0306 58 ALA B O 1929 C CB . ALA B 88 ? 0.2118 0.3317 0.2175 -0.0642 -0.0103 -0.0195 58 ALA B CB 1930 N N . GLU B 89 ? 0.2112 0.3339 0.2078 -0.0555 -0.0212 -0.0324 59 GLU B N 1931 C CA . GLU B 89 ? 0.2228 0.3407 0.2139 -0.0541 -0.0277 -0.0396 59 GLU B CA 1932 C C . GLU B 89 ? 0.2526 0.3712 0.2336 -0.0439 -0.0270 -0.0416 59 GLU B C 1933 O O . GLU B 89 ? 0.2499 0.3598 0.2227 -0.0404 -0.0301 -0.0467 59 GLU B O 1934 C CB . GLU B 89 ? 0.2441 0.3745 0.2427 -0.0589 -0.0329 -0.0427 59 GLU B CB 1935 C CG . GLU B 89 ? 0.4339 0.5627 0.4412 -0.0709 -0.0357 -0.0422 59 GLU B CG 1936 C CD . GLU B 89 ? 0.7838 0.9290 0.8005 -0.0767 -0.0406 -0.0448 59 GLU B CD 1937 O OE1 . GLU B 89 ? 0.7217 0.8739 0.7484 -0.0870 -0.0407 -0.0417 59 GLU B OE1 1938 O OE2 . GLU B 89 ? 0.7312 0.8836 0.7450 -0.0713 -0.0446 -0.0495 59 GLU B OE2 1939 N N . TYR B 90 ? 0.1971 0.3262 0.1780 -0.0393 -0.0234 -0.0374 60 TYR B N 1940 C CA . TYR B 90 ? 0.1977 0.3294 0.1694 -0.0313 -0.0223 -0.0371 60 TYR B CA 1941 C C . TYR B 90 ? 0.2584 0.3816 0.2232 -0.0281 -0.0180 -0.0350 60 TYR B C 1942 O O . TYR B 90 ? 0.2716 0.3945 0.2277 -0.0228 -0.0187 -0.0377 60 TYR B O 1943 C CB . TYR B 90 ? 0.2099 0.3520 0.1836 -0.0287 -0.0204 -0.0321 60 TYR B CB 1944 C CG . TYR B 90 ? 0.2382 0.3812 0.2019 -0.0223 -0.0186 -0.0291 60 TYR B CG 1945 C CD1 . TYR B 90 ? 0.2727 0.4200 0.2288 -0.0182 -0.0222 -0.0322 60 TYR B CD1 1946 C CD2 . TYR B 90 ? 0.2466 0.3871 0.2083 -0.0210 -0.0139 -0.0227 60 TYR B CD2 1947 C CE1 . TYR B 90 ? 0.2906 0.4399 0.2371 -0.0136 -0.0205 -0.0282 60 TYR B CE1 1948 C CE2 . TYR B 90 ? 0.2676 0.4087 0.2200 -0.0171 -0.0128 -0.0189 60 TYR B CE2 1949 C CZ . TYR B 90 ? 0.3688 0.5147 0.3137 -0.0136 -0.0159 -0.0212 60 TYR B CZ 1950 O OH . TYR B 90 ? 0.3759 0.5231 0.3111 -0.0109 -0.0148 -0.0163 60 TYR B OH 1951 N N . TRP B 91 ? 0.2031 0.3210 0.1716 -0.0308 -0.0137 -0.0305 61 TRP B N 1952 C CA . TRP B 91 ? 0.1943 0.3056 0.1573 -0.0278 -0.0100 -0.0287 61 TRP B CA 1953 C C . TRP B 91 ? 0.2527 0.3531 0.2120 -0.0273 -0.0130 -0.0343 61 TRP B C 1954 O O . TRP B 91 ? 0.2526 0.3508 0.2051 -0.0218 -0.0118 -0.0356 61 TRP B O 1955 C CB . TRP B 91 ? 0.1665 0.2759 0.1340 -0.0305 -0.0051 -0.0224 61 TRP B CB 1956 C CG . TRP B 91 ? 0.1664 0.2837 0.1355 -0.0295 -0.0027 -0.0175 61 TRP B CG 1957 C CD1 . TRP B 91 ? 0.2020 0.3248 0.1656 -0.0256 -0.0032 -0.0162 61 TRP B CD1 1958 C CD2 . TRP B 91 ? 0.1563 0.2752 0.1313 -0.0320 0.0000 -0.0133 61 TRP B CD2 1959 N NE1 . TRP B 91 ? 0.1892 0.3146 0.1546 -0.0253 -0.0016 -0.0116 61 TRP B NE1 1960 C CE2 . TRP B 91 ? 0.1979 0.3217 0.1704 -0.0286 0.0004 -0.0103 61 TRP B CE2 1961 C CE3 . TRP B 91 ? 0.1681 0.2844 0.1493 -0.0365 0.0020 -0.0116 61 TRP B CE3 1962 C CZ2 . TRP B 91 ? 0.1801 0.3059 0.1559 -0.0284 0.0024 -0.0068 61 TRP B CZ2 1963 C CZ3 . TRP B 91 ? 0.1793 0.3002 0.1643 -0.0366 0.0048 -0.0078 61 TRP B CZ3 1964 C CH2 . TRP B 91 ? 0.1838 0.3093 0.1661 -0.0321 0.0047 -0.0060 61 TRP B CH2 1965 N N . ASN B 92 ? 0.2068 0.3008 0.1703 -0.0327 -0.0176 -0.0378 62 ASN B N 1966 C CA . ASN B 92 ? 0.2198 0.2997 0.1786 -0.0324 -0.0224 -0.0438 62 ASN B CA 1967 C C . ASN B 92 ? 0.2978 0.3791 0.2487 -0.0264 -0.0274 -0.0517 62 ASN B C 1968 O O . ASN B 92 ? 0.3210 0.3908 0.2647 -0.0225 -0.0313 -0.0577 62 ASN B O 1969 C CB . ASN B 92 ? 0.1858 0.2571 0.1511 -0.0421 -0.0261 -0.0438 62 ASN B CB 1970 C CG . ASN B 92 ? 0.3475 0.4119 0.3164 -0.0466 -0.0221 -0.0375 62 ASN B CG 1971 O OD1 . ASN B 92 ? 0.1984 0.2611 0.1639 -0.0417 -0.0175 -0.0345 62 ASN B OD1 1972 N ND2 . ASN B 92 ? 0.2254 0.2868 0.2012 -0.0565 -0.0239 -0.0352 62 ASN B ND2 1973 N N . SER B 93 ? 0.2471 0.3421 0.1982 -0.0247 -0.0277 -0.0518 63 SER B N 1974 C CA . SER B 93 ? 0.2566 0.3558 0.1995 -0.0186 -0.0320 -0.0587 63 SER B CA 1975 C C . SER B 93 ? 0.3312 0.4377 0.2652 -0.0098 -0.0276 -0.0574 63 SER B C 1976 O O . SER B 93 ? 0.3420 0.4532 0.2675 -0.0034 -0.0301 -0.0629 63 SER B O 1977 C CB . SER B 93 ? 0.2772 0.3881 0.2238 -0.0208 -0.0347 -0.0587 63 SER B CB 1978 O OG . SER B 93 ? 0.3614 0.4841 0.3078 -0.0181 -0.0297 -0.0521 63 SER B OG 1979 N N . GLN B 94 ? 0.2859 0.3950 0.2220 -0.0101 -0.0210 -0.0501 64 GLN B N 1980 C CA . GLN B 94 ? 0.2750 0.3932 0.2044 -0.0041 -0.0164 -0.0473 64 GLN B CA 1981 C C . GLN B 94 ? 0.3339 0.4454 0.2610 -0.0007 -0.0145 -0.0486 64 GLN B C 1982 O O . GLN B 94 ? 0.3231 0.4304 0.2553 -0.0040 -0.0109 -0.0432 64 GLN B O 1983 C CB . GLN B 94 ? 0.2757 0.4018 0.2085 -0.0073 -0.0114 -0.0380 64 GLN B CB 1984 C CG . GLN B 94 ? 0.3567 0.4910 0.2885 -0.0078 -0.0134 -0.0365 64 GLN B CG 1985 C CD . GLN B 94 ? 0.5386 0.6753 0.4740 -0.0111 -0.0100 -0.0280 64 GLN B CD 1986 O OE1 . GLN B 94 ? 0.4240 0.5573 0.3672 -0.0150 -0.0104 -0.0264 64 GLN B OE1 1987 N NE2 . GLN B 94 ? 0.4618 0.6042 0.3911 -0.0095 -0.0068 -0.0225 64 GLN B NE2 1988 N N . LYS B 95 ? 0.3107 0.4212 0.2297 0.0069 -0.0175 -0.0563 65 LYS B N 1989 C CA . LYS B 95 ? 0.3187 0.4228 0.2340 0.0127 -0.0171 -0.0594 65 LYS B CA 1990 C C . LYS B 95 ? 0.3691 0.4848 0.2851 0.0142 -0.0100 -0.0524 65 LYS B C 1991 O O . LYS B 95 ? 0.3655 0.4747 0.2827 0.0157 -0.0088 -0.0518 65 LYS B O 1992 C CB . LYS B 95 ? 0.3637 0.4666 0.2687 0.0226 -0.0221 -0.0700 65 LYS B CB 1993 C CG . LYS B 95 ? 0.6339 0.7572 0.5314 0.0297 -0.0199 -0.0715 65 LYS B CG 1994 C CD . LYS B 95 ? 0.8202 0.9451 0.7074 0.0423 -0.0226 -0.0811 65 LYS B CD 1995 C CE . LYS B 95 ? 0.9818 1.1006 0.8610 0.0475 -0.0303 -0.0920 65 LYS B CE 1996 N NZ . LYS B 95 ? 1.1061 1.2442 0.9804 0.0493 -0.0290 -0.0917 65 LYS B NZ 1997 N N . GLU B 96 ? 0.3251 0.4571 0.2403 0.0130 -0.0060 -0.0469 66 GLU B N 1998 C CA . GLU B 96 ? 0.3216 0.4653 0.2376 0.0123 0.0001 -0.0395 66 GLU B CA 1999 C C . GLU B 96 ? 0.3512 0.4862 0.2755 0.0048 0.0026 -0.0325 66 GLU B C 2000 O O . GLU B 96 ? 0.3529 0.4900 0.2787 0.0052 0.0060 -0.0292 66 GLU B O 2001 C CB . GLU B 96 ? 0.3423 0.5027 0.2542 0.0113 0.0026 -0.0346 66 GLU B CB 2002 C CG . GLU B 96 ? 0.5267 0.7024 0.4369 0.0114 0.0081 -0.0285 66 GLU B CG 2003 C CD . GLU B 96 ? 0.8636 1.0403 0.7774 0.0027 0.0112 -0.0180 66 GLU B CD 2004 O OE1 . GLU B 96 ? 0.7638 0.9467 0.6736 -0.0002 0.0112 -0.0135 66 GLU B OE1 2005 O OE2 . GLU B 96 ? 0.8216 0.9919 0.7411 -0.0008 0.0130 -0.0145 66 GLU B OE2 2006 N N . VAL B 97 ? 0.2813 0.4083 0.2108 -0.0014 0.0009 -0.0305 67 VAL B N 2007 C CA . VAL B 97 ? 0.2596 0.3795 0.1966 -0.0078 0.0029 -0.0247 67 VAL B CA 2008 C C . VAL B 97 ? 0.3055 0.4129 0.2449 -0.0076 0.0021 -0.0270 67 VAL B C 2009 O O . VAL B 97 ? 0.2993 0.4049 0.2413 -0.0092 0.0053 -0.0225 67 VAL B O 2010 C CB . VAL B 97 ? 0.2946 0.4123 0.2362 -0.0128 0.0008 -0.0233 67 VAL B CB 2011 C CG1 . VAL B 97 ? 0.2805 0.3913 0.2297 -0.0183 0.0025 -0.0192 67 VAL B CG1 2012 C CG2 . VAL B 97 ? 0.2854 0.4131 0.2236 -0.0128 0.0016 -0.0193 67 VAL B CG2 2013 N N . LEU B 98 ? 0.2611 0.3590 0.1986 -0.0056 -0.0027 -0.0340 68 LEU B N 2014 C CA . LEU B 98 ? 0.2627 0.3454 0.2005 -0.0055 -0.0049 -0.0363 68 LEU B CA 2015 C C . LEU B 98 ? 0.3204 0.4047 0.2541 0.0013 -0.0028 -0.0365 68 LEU B C 2016 O O . LEU B 98 ? 0.3213 0.3985 0.2574 -0.0004 -0.0012 -0.0330 68 LEU B O 2017 C CB . LEU B 98 ? 0.2772 0.3482 0.2115 -0.0044 -0.0119 -0.0443 68 LEU B CB 2018 C CG . LEU B 98 ? 0.3309 0.3950 0.2714 -0.0134 -0.0151 -0.0437 68 LEU B CG 2019 C CD1 . LEU B 98 ? 0.3444 0.4007 0.2804 -0.0122 -0.0226 -0.0522 68 LEU B CD1 2020 C CD2 . LEU B 98 ? 0.3425 0.3944 0.2880 -0.0202 -0.0146 -0.0392 68 LEU B CD2 2021 N N . GLU B 99 ? 0.2821 0.3781 0.2097 0.0091 -0.0024 -0.0403 69 GLU B N 2022 C CA . GLU B 99 ? 0.2794 0.3826 0.2033 0.0168 -0.0004 -0.0413 69 GLU B CA 2023 C C . GLU B 99 ? 0.2881 0.4000 0.2170 0.0126 0.0053 -0.0329 69 GLU B C 2024 O O . GLU B 99 ? 0.2863 0.3944 0.2159 0.0148 0.0061 -0.0318 69 GLU B O 2025 C CB . GLU B 99 ? 0.3044 0.4247 0.2217 0.0248 -0.0001 -0.0460 69 GLU B CB 2026 C CG . GLU B 99 ? 0.4642 0.5761 0.3738 0.0332 -0.0063 -0.0566 69 GLU B CG 2027 C CD . GLU B 99 ? 0.7986 0.9291 0.7010 0.0414 -0.0060 -0.0616 69 GLU B CD 2028 O OE1 . GLU B 99 ? 0.7654 0.9155 0.6689 0.0387 -0.0009 -0.0558 69 GLU B OE1 2029 O OE2 . GLU B 99 ? 0.7977 0.9222 0.6924 0.0506 -0.0113 -0.0714 69 GLU B OE2 2030 N N . ARG B 100 ? 0.2160 0.3385 0.1476 0.0067 0.0086 -0.0270 70 ARG B N 2031 C CA . ARG B 100 ? 0.1964 0.3257 0.1318 0.0018 0.0130 -0.0191 70 ARG B CA 2032 C C . ARG B 100 ? 0.2373 0.3524 0.1778 -0.0030 0.0132 -0.0160 70 ARG B C 2033 O O . ARG B 100 ? 0.2416 0.3580 0.1835 -0.0029 0.0153 -0.0130 70 ARG B O 2034 C CB . ARG B 100 ? 0.1825 0.3211 0.1180 -0.0035 0.0148 -0.0139 70 ARG B CB 2035 C CG . ARG B 100 ? 0.2814 0.4239 0.2196 -0.0093 0.0182 -0.0060 70 ARG B CG 2036 C CD . ARG B 100 ? 0.4069 0.5482 0.3453 -0.0153 0.0181 -0.0008 70 ARG B CD 2037 N NE . ARG B 100 ? 0.5024 0.6324 0.4438 -0.0169 0.0156 -0.0027 70 ARG B NE 2038 C CZ . ARG B 100 ? 0.7003 0.8206 0.6465 -0.0200 0.0158 -0.0010 70 ARG B CZ 2039 N NH1 . ARG B 100 ? 0.4492 0.5636 0.3987 -0.0215 0.0137 -0.0027 70 ARG B NH1 2040 N NH2 . ARG B 100 ? 0.6257 0.7441 0.5737 -0.0216 0.0180 0.0023 70 ARG B NH2 2041 N N . THR B 101 ? 0.1809 0.2843 0.1242 -0.0071 0.0108 -0.0168 71 THR B N 2042 C CA . THR B 101 ? 0.1768 0.2691 0.1248 -0.0120 0.0113 -0.0134 71 THR B CA 2043 C C . THR B 101 ? 0.2469 0.3284 0.1927 -0.0084 0.0097 -0.0157 71 THR B C 2044 O O . THR B 101 ? 0.2445 0.3234 0.1919 -0.0098 0.0118 -0.0116 71 THR B O 2045 C CB . THR B 101 ? 0.2464 0.3330 0.1984 -0.0177 0.0094 -0.0135 71 THR B CB 2046 O OG1 . THR B 101 ? 0.2335 0.3298 0.1858 -0.0188 0.0100 -0.0122 71 THR B OG1 2047 C CG2 . THR B 101 ? 0.1920 0.2731 0.1491 -0.0232 0.0113 -0.0086 71 THR B CG2 2048 N N . ARG B 102 ? 0.2068 0.2812 0.1479 -0.0031 0.0054 -0.0223 72 ARG B N 2049 C CA . ARG B 102 ? 0.2130 0.2746 0.1500 0.0018 0.0027 -0.0248 72 ARG B CA 2050 C C . ARG B 102 ? 0.2752 0.3470 0.2107 0.0079 0.0056 -0.0233 72 ARG B C 2051 O O . ARG B 102 ? 0.2916 0.3553 0.2266 0.0090 0.0054 -0.0212 72 ARG B O 2052 C CB . ARG B 102 ? 0.1981 0.2504 0.1285 0.0081 -0.0033 -0.0332 72 ARG B CB 2053 C CG . ARG B 102 ? 0.2139 0.2518 0.1453 0.0014 -0.0078 -0.0349 72 ARG B CG 2054 C CD . ARG B 102 ? 0.2444 0.2776 0.1691 0.0074 -0.0136 -0.0439 72 ARG B CD 2055 N NE . ARG B 102 ? 0.3365 0.3573 0.2629 -0.0004 -0.0184 -0.0456 72 ARG B NE 2056 C CZ . ARG B 102 ? 0.5286 0.5451 0.4504 0.0020 -0.0241 -0.0532 72 ARG B CZ 2057 N NH1 . ARG B 102 ? 0.3165 0.3406 0.2312 0.0129 -0.0253 -0.0601 72 ARG B NH1 2058 N NH2 . ARG B 102 ? 0.4373 0.4436 0.3617 -0.0066 -0.0287 -0.0541 72 ARG B NH2 2059 N N . ALA B 103 ? 0.2188 0.3096 0.1538 0.0114 0.0082 -0.0239 73 ALA B N 2060 C CA . ALA B 103 ? 0.2037 0.3091 0.1383 0.0163 0.0110 -0.0225 73 ALA B CA 2061 C C . ALA B 103 ? 0.2357 0.3447 0.1755 0.0094 0.0148 -0.0147 73 ALA B C 2062 O O . ALA B 103 ? 0.2118 0.3285 0.1518 0.0127 0.0161 -0.0134 73 ALA B O 2063 C CB . ALA B 103 ? 0.2064 0.3327 0.1392 0.0196 0.0129 -0.0242 73 ALA B CB 2064 N N . GLU B 104 ? 0.2037 0.3072 0.1473 0.0007 0.0161 -0.0103 74 GLU B N 2065 C CA . GLU B 104 ? 0.2014 0.3063 0.1488 -0.0053 0.0190 -0.0038 74 GLU B CA 2066 C C . GLU B 104 ? 0.2556 0.3512 0.2027 -0.0038 0.0186 -0.0025 74 GLU B C 2067 O O . GLU B 104 ? 0.2592 0.3601 0.2080 -0.0058 0.0206 0.0015 74 GLU B O 2068 C CB . GLU B 104 ? 0.2145 0.3146 0.1649 -0.0126 0.0196 -0.0008 74 GLU B CB 2069 C CG . GLU B 104 ? 0.3152 0.4262 0.2653 -0.0148 0.0205 0.0006 74 GLU B CG 2070 C CD . GLU B 104 ? 0.4612 0.5684 0.4135 -0.0201 0.0204 0.0028 74 GLU B CD 2071 O OE1 . GLU B 104 ? 0.5610 0.6601 0.5152 -0.0211 0.0188 0.0007 74 GLU B OE1 2072 O OE2 . GLU B 104 ? 0.2049 0.3175 0.1565 -0.0231 0.0214 0.0067 74 GLU B OE2 2073 N N . LEU B 105 ? 0.2146 0.2961 0.1587 -0.0001 0.0153 -0.0059 75 LEU B N 2074 C CA . LEU B 105 ? 0.2293 0.3006 0.1714 0.0023 0.0141 -0.0045 75 LEU B CA 2075 C C . LEU B 105 ? 0.3030 0.3871 0.2438 0.0093 0.0149 -0.0051 75 LEU B C 2076 O O . LEU B 105 ? 0.3053 0.3883 0.2462 0.0094 0.0155 -0.0018 75 LEU B O 2077 C CB . LEU B 105 ? 0.2488 0.3011 0.1860 0.0053 0.0093 -0.0083 75 LEU B CB 2078 C CG . LEU B 105 ? 0.3118 0.3484 0.2454 0.0063 0.0072 -0.0057 75 LEU B CG 2079 C CD1 . LEU B 105 ? 0.3126 0.3434 0.2497 -0.0036 0.0096 0.0009 75 LEU B CD1 2080 C CD2 . LEU B 105 ? 0.3297 0.3470 0.2562 0.0111 0.0010 -0.0104 75 LEU B CD2 2081 N N . ASP B 106 ? 0.2698 0.3687 0.2097 0.0147 0.0150 -0.0091 76 ASP B N 2082 C CA . ASP B 106 ? 0.2662 0.3829 0.2061 0.0209 0.0160 -0.0097 76 ASP B CA 2083 C C . ASP B 106 ? 0.2829 0.4178 0.2277 0.0137 0.0200 -0.0047 76 ASP B C 2084 O O . ASP B 106 ? 0.2754 0.4178 0.2223 0.0125 0.0211 -0.0014 76 ASP B O 2085 C CB . ASP B 106 ? 0.3019 0.4277 0.2378 0.0315 0.0141 -0.0169 76 ASP B CB 2086 C CG . ASP B 106 ? 0.4580 0.5661 0.3872 0.0412 0.0088 -0.0229 76 ASP B CG 2087 O OD1 . ASP B 106 ? 0.4705 0.5734 0.3976 0.0466 0.0070 -0.0226 76 ASP B OD1 2088 O OD2 . ASP B 106 ? 0.5523 0.6522 0.4774 0.0444 0.0058 -0.0284 76 ASP B OD2 2089 N N . THR B 107 ? 0.2298 0.3709 0.1755 0.0089 0.0215 -0.0040 77 THR B N 2090 C CA . THR B 107 ? 0.2175 0.3742 0.1660 0.0017 0.0243 0.0010 77 THR B CA 2091 C C . THR B 107 ? 0.2500 0.3985 0.2011 -0.0069 0.0252 0.0068 77 THR B C 2092 O O . THR B 107 ? 0.2504 0.4094 0.2030 -0.0125 0.0264 0.0111 77 THR B O 2093 C CB . THR B 107 ? 0.2851 0.4483 0.2322 -0.0007 0.0250 0.0006 77 THR B CB 2094 O OG1 . THR B 107 ? 0.2616 0.4083 0.2086 -0.0047 0.0238 0.0008 77 THR B OG1 2095 C CG2 . THR B 107 ? 0.2565 0.4310 0.2002 0.0084 0.0242 -0.0056 77 THR B CG2 2096 N N . VAL B 108 ? 0.1796 0.3099 0.1306 -0.0081 0.0242 0.0070 78 VAL B N 2097 C CA . VAL B 108 ? 0.1617 0.2853 0.1143 -0.0145 0.0250 0.0115 78 VAL B CA 2098 C C . VAL B 108 ? 0.2173 0.3324 0.1693 -0.0120 0.0244 0.0120 78 VAL B C 2099 O O . VAL B 108 ? 0.2142 0.3354 0.1667 -0.0129 0.0248 0.0143 78 VAL B O 2100 C CB . VAL B 108 ? 0.1900 0.3038 0.1432 -0.0195 0.0251 0.0127 78 VAL B CB 2101 C CG1 . VAL B 108 ? 0.1725 0.2824 0.1263 -0.0247 0.0257 0.0167 78 VAL B CG1 2102 C CG2 . VAL B 108 ? 0.1850 0.3055 0.1375 -0.0210 0.0250 0.0121 78 VAL B CG2 2103 N N . CYS B 109 ? 0.1876 0.2888 0.1381 -0.0094 0.0232 0.0101 79 CYS B N 2104 C CA . CYS B 109 ? 0.2059 0.2970 0.1545 -0.0077 0.0224 0.0116 79 CYS B CA 2105 C C . CYS B 109 ? 0.2417 0.3395 0.1885 -0.0011 0.0213 0.0107 79 CYS B C 2106 O O . CYS B 109 ? 0.2227 0.3236 0.1697 -0.0024 0.0218 0.0137 79 CYS B O 2107 C CB . CYS B 109 ? 0.2293 0.3041 0.1758 -0.0073 0.0207 0.0104 79 CYS B CB 2108 S SG . CYS B 109 ? 0.2784 0.3478 0.2283 -0.0154 0.0220 0.0121 79 CYS B SG 2109 N N . ARG B 110 ? 0.2119 0.3119 0.1564 0.0068 0.0192 0.0063 80 ARG B N 2110 C CA . ARG B 110 ? 0.2146 0.3225 0.1573 0.0151 0.0176 0.0045 80 ARG B CA 2111 C C . ARG B 110 ? 0.2631 0.3936 0.2100 0.0130 0.0196 0.0062 80 ARG B C 2112 O O . ARG B 110 ? 0.2702 0.4073 0.2174 0.0154 0.0190 0.0074 80 ARG B O 2113 C CB . ARG B 110 ? 0.2016 0.3081 0.1404 0.0252 0.0146 -0.0017 80 ARG B CB 2114 C CG . ARG B 110 ? 0.3324 0.4138 0.2651 0.0282 0.0107 -0.0031 80 ARG B CG 2115 C CD . ARG B 110 ? 0.4308 0.5088 0.3578 0.0399 0.0064 -0.0102 80 ARG B CD 2116 N NE . ARG B 110 ? 0.4860 0.5368 0.4060 0.0420 0.0016 -0.0110 80 ARG B NE 2117 C CZ . ARG B 110 ? 0.6163 0.6518 0.5333 0.0405 -0.0013 -0.0141 80 ARG B CZ 2118 N NH1 . ARG B 110 ? 0.4037 0.4492 0.3239 0.0381 0.0004 -0.0172 80 ARG B NH1 2119 N NH2 . ARG B 110 ? 0.4512 0.4608 0.3613 0.0408 -0.0063 -0.0139 80 ARG B NH2 2120 N N . HIS B 111 ? 0.2025 0.3443 0.1524 0.0078 0.0216 0.0067 81 HIS B N 2121 C CA . HIS B 111 ? 0.1885 0.3498 0.1420 0.0031 0.0232 0.0095 81 HIS B CA 2122 C C . HIS B 111 ? 0.2362 0.3936 0.1909 -0.0040 0.0234 0.0141 81 HIS B C 2123 O O . HIS B 111 ? 0.2450 0.4137 0.2012 -0.0036 0.0228 0.0152 81 HIS B O 2124 C CB . HIS B 111 ? 0.1896 0.3598 0.1444 -0.0023 0.0250 0.0103 81 HIS B CB 2125 C CG . HIS B 111 ? 0.2238 0.4128 0.1816 -0.0092 0.0261 0.0143 81 HIS B CG 2126 N ND1 . HIS B 111 ? 0.2442 0.4571 0.2041 -0.0061 0.0267 0.0135 81 HIS B ND1 2127 C CD2 . HIS B 111 ? 0.2376 0.4248 0.1963 -0.0194 0.0263 0.0193 81 HIS B CD2 2128 C CE1 . HIS B 111 ? 0.2310 0.4564 0.1935 -0.0156 0.0274 0.0185 81 HIS B CE1 2129 N NE2 . HIS B 111 ? 0.2332 0.4415 0.1944 -0.0236 0.0267 0.0220 81 HIS B NE2 2130 N N . ASN B 112 ? 0.1737 0.3166 0.1276 -0.0101 0.0240 0.0164 82 ASN B N 2131 C CA . ASN B 112 ? 0.1661 0.3039 0.1198 -0.0159 0.0238 0.0199 82 ASN B CA 2132 C C . ASN B 112 ? 0.2411 0.3725 0.1927 -0.0116 0.0227 0.0201 82 ASN B C 2133 O O . ASN B 112 ? 0.2556 0.3890 0.2070 -0.0147 0.0220 0.0222 82 ASN B O 2134 C CB . ASN B 112 ? 0.1157 0.2405 0.0686 -0.0212 0.0246 0.0213 82 ASN B CB 2135 C CG . ASN B 112 ? 0.2426 0.3731 0.1964 -0.0267 0.0249 0.0225 82 ASN B CG 2136 O OD1 . ASN B 112 ? 0.0462 0.1804 0.0404 -0.0235 -0.0002 0.0139 82 ASN B OD1 2137 N ND2 . ASN B 112 ? 0.1495 0.2698 0.1023 -0.0299 0.0250 0.0232 82 ASN B ND2 2138 N N . TYR B 113 ? 0.1903 0.3133 0.1395 -0.0045 0.0219 0.0180 83 TYR B N 2139 C CA . TYR B 113 ? 0.1898 0.3056 0.1355 0.0000 0.0204 0.0189 83 TYR B CA 2140 C C . TYR B 113 ? 0.2451 0.3773 0.1920 0.0042 0.0188 0.0182 83 TYR B C 2141 O O . TYR B 113 ? 0.2488 0.3799 0.1939 0.0048 0.0177 0.0201 83 TYR B O 2142 C CB . TYR B 113 ? 0.2093 0.3100 0.1509 0.0061 0.0189 0.0172 83 TYR B CB 2143 C CG . TYR B 113 ? 0.2324 0.3223 0.1688 0.0094 0.0172 0.0196 83 TYR B CG 2144 C CD1 . TYR B 113 ? 0.2476 0.3260 0.1818 0.0040 0.0186 0.0235 83 TYR B CD1 2145 C CD2 . TYR B 113 ? 0.2555 0.3484 0.1889 0.0184 0.0142 0.0181 83 TYR B CD2 2146 C CE1 . TYR B 113 ? 0.2520 0.3214 0.1806 0.0065 0.0172 0.0265 83 TYR B CE1 2147 C CE2 . TYR B 113 ? 0.2803 0.3625 0.2078 0.0216 0.0123 0.0209 83 TYR B CE2 2148 C CZ . TYR B 113 ? 0.3527 0.4230 0.2776 0.0151 0.0139 0.0255 83 TYR B CZ 2149 O OH . TYR B 113 ? 0.3515 0.4119 0.2696 0.0179 0.0121 0.0290 83 TYR B OH 2150 N N . GLN B 114 ? 0.1888 0.3382 0.1389 0.0071 0.0188 0.0156 84 GLN B N 2151 C CA . GLN B 114 ? 0.1751 0.3458 0.1280 0.0107 0.0175 0.0148 84 GLN B CA 2152 C C . GLN B 114 ? 0.2291 0.4087 0.1851 0.0010 0.0177 0.0184 84 GLN B C 2153 O O . GLN B 114 ? 0.2482 0.4386 0.2053 0.0024 0.0158 0.0189 84 GLN B O 2154 C CB . GLN B 114 ? 0.1846 0.3745 0.1406 0.0150 0.0182 0.0115 84 GLN B CB 2155 C CG . GLN B 114 ? 0.3410 0.5243 0.2928 0.0277 0.0164 0.0063 84 GLN B CG 2156 C CD . GLN B 114 ? 0.5952 0.7700 0.5426 0.0369 0.0130 0.0054 84 GLN B CD 2157 O OE1 . GLN B 114 ? 0.5707 0.7621 0.5202 0.0409 0.0116 0.0052 84 GLN B OE1 2158 N NE2 . GLN B 114 ? 0.4524 0.6012 0.3935 0.0394 0.0113 0.0055 84 GLN B NE2 2159 N N . LEU B 115 ? 0.1702 0.3438 0.1269 -0.0084 0.0192 0.0207 85 LEU B N 2160 C CA . LEU B 115 ? 0.1618 0.3378 0.1194 -0.0182 0.0184 0.0239 85 LEU B CA 2161 C C . LEU B 115 ? 0.2336 0.3936 0.1869 -0.0186 0.0173 0.0250 85 LEU B C 2162 O O . LEU B 115 ? 0.2274 0.3909 0.1804 -0.0233 0.0152 0.0263 85 LEU B O 2163 C CB . LEU B 115 ? 0.1531 0.3261 0.1112 -0.0263 0.0196 0.0256 85 LEU B CB 2164 C CG . LEU B 115 ? 0.1989 0.3887 0.1602 -0.0268 0.0211 0.0253 85 LEU B CG 2165 C CD1 . LEU B 115 ? 0.1890 0.3715 0.1489 -0.0335 0.0220 0.0272 85 LEU B CD1 2166 C CD2 . LEU B 115 ? 0.2350 0.4489 0.2004 -0.0306 0.0201 0.0269 85 LEU B CD2 2167 N N . GLU B 116 ? 0.2094 0.3529 0.1591 -0.0140 0.0184 0.0244 86 GLU B N 2168 C CA . GLU B 116 ? 0.2134 0.3436 0.1584 -0.0136 0.0180 0.0258 86 GLU B CA 2169 C C . GLU B 116 ? 0.2850 0.4206 0.2281 -0.0080 0.0157 0.0258 86 GLU B C 2170 O O . GLU B 116 ? 0.2903 0.4238 0.2305 -0.0099 0.0144 0.0269 86 GLU B O 2171 C CB . GLU B 116 ? 0.2323 0.3461 0.1745 -0.0115 0.0200 0.0261 86 GLU B CB 2172 C CG . GLU B 116 ? 0.3240 0.4323 0.2679 -0.0167 0.0219 0.0260 86 GLU B CG 2173 C CD . GLU B 116 ? 0.4229 0.5293 0.3661 -0.0229 0.0217 0.0269 86 GLU B CD 2174 O OE1 . GLU B 116 ? 0.3122 0.4204 0.2532 -0.0242 0.0200 0.0275 86 GLU B OE1 2175 O OE2 . GLU B 116 ? 0.1724 0.2747 0.1166 -0.0261 0.0227 0.0267 86 GLU B OE2 2176 N N . LEU B 117 ? 0.2452 0.3883 0.1894 -0.0004 0.0148 0.0240 87 LEU B N 2177 C CA . LEU B 117 ? 0.2475 0.3975 0.1899 0.0068 0.0120 0.0236 87 LEU B CA 2178 C C . LEU B 117 ? 0.3049 0.4732 0.2510 0.0027 0.0099 0.0238 87 LEU B C 2179 O O . LEU B 117 ? 0.3071 0.4791 0.2508 0.0065 0.0073 0.0240 87 LEU B O 2180 C CB . LEU B 117 ? 0.2480 0.4042 0.1909 0.0169 0.0109 0.0205 87 LEU B CB 2181 C CG . LEU B 117 ? 0.3056 0.4424 0.2433 0.0229 0.0109 0.0198 87 LEU B CG 2182 C CD1 . LEU B 117 ? 0.3060 0.4514 0.2444 0.0329 0.0092 0.0154 87 LEU B CD1 2183 C CD2 . LEU B 117 ? 0.3340 0.4533 0.2638 0.0265 0.0091 0.0226 87 LEU B CD2 2184 N N . ARG B 118 ? 0.2607 0.4396 0.2118 -0.0057 0.0107 0.0240 88 ARG B N 2185 C CA . ARG B 118 ? 0.2500 0.4461 0.2049 -0.0122 0.0082 0.0247 88 ARG B CA 2186 C C . ARG B 118 ? 0.2970 0.4818 0.2487 -0.0209 0.0069 0.0264 88 ARG B C 2187 O O . ARG B 118 ? 0.2981 0.4923 0.2513 -0.0268 0.0039 0.0269 88 ARG B O 2188 C CB . ARG B 118 ? 0.2311 0.4468 0.1928 -0.0172 0.0092 0.0249 88 ARG B CB 2189 C CG . ARG B 118 ? 0.3687 0.5981 0.3333 -0.0077 0.0106 0.0223 88 ARG B CG 2190 C CD . ARG B 118 ? 0.5779 0.8220 0.5472 -0.0121 0.0130 0.0226 88 ARG B CD 2191 N NE . ARG B 118 ? 0.7502 1.0084 0.7212 -0.0007 0.0140 0.0188 88 ARG B NE 2192 C CZ . ARG B 118 ? 0.9094 1.1693 0.8805 0.0021 0.0165 0.0170 88 ARG B CZ 2193 N NH1 . ARG B 118 ? 0.7345 0.9843 0.7047 -0.0061 0.0186 0.0191 88 ARG B NH1 2194 N NH2 . ARG B 118 ? 0.7082 0.9805 0.6797 0.0142 0.0165 0.0126 88 ARG B NH2 2195 N N . THR B 119 ? 0.2414 0.4063 0.1886 -0.0216 0.0089 0.0268 89 THR B N 2196 C CA . THR B 119 ? 0.2306 0.3836 0.1737 -0.0281 0.0076 0.0275 89 THR B CA 2197 C C . THR B 119 ? 0.2780 0.4146 0.2143 -0.0240 0.0085 0.0274 89 THR B C 2198 O O . THR B 119 ? 0.2823 0.4188 0.2147 -0.0224 0.0062 0.0272 89 THR B O 2199 C CB . THR B 119 ? 0.2903 0.4381 0.2346 -0.0355 0.0086 0.0282 89 THR B CB 2200 O OG1 . THR B 119 ? 0.2712 0.4144 0.2169 -0.0320 0.0123 0.0281 89 THR B OG1 2201 C CG2 . THR B 119 ? 0.2522 0.4153 0.2012 -0.0432 0.0065 0.0295 89 THR B CG2 2202 N N . THR B 120 ? 0.2219 0.3464 0.1567 -0.0226 0.0118 0.0278 90 THR B N 2203 C CA . THR B 120 ? 0.2234 0.3353 0.1524 -0.0196 0.0133 0.0284 90 THR B CA 2204 C C . THR B 120 ? 0.2874 0.3982 0.2125 -0.0128 0.0133 0.0297 90 THR B C 2205 O O . THR B 120 ? 0.2915 0.3972 0.2106 -0.0115 0.0130 0.0304 90 THR B O 2206 C CB . THR B 120 ? 0.2844 0.3866 0.2139 -0.0204 0.0169 0.0288 90 THR B CB 2207 O OG1 . THR B 120 ? 0.3170 0.4205 0.2502 -0.0179 0.0186 0.0290 90 THR B OG1 2208 C CG2 . THR B 120 ? 0.2385 0.3395 0.1695 -0.0259 0.0162 0.0277 90 THR B CG2 2209 N N . LEU B 121 ? 0.2285 0.3437 0.1561 -0.0081 0.0133 0.0299 91 LEU B N 2210 C CA . LEU B 121 ? 0.2222 0.3345 0.1454 -0.0006 0.0123 0.0313 91 LEU B CA 2211 C C . LEU B 121 ? 0.2905 0.4154 0.2132 0.0026 0.0084 0.0305 91 LEU B C 2212 O O . LEU B 121 ? 0.3005 0.4240 0.2189 0.0098 0.0066 0.0316 91 LEU B O 2213 C CB . LEU B 121 ? 0.2150 0.3233 0.1397 0.0042 0.0132 0.0310 91 LEU B CB 2214 C CG . LEU B 121 ? 0.2601 0.3570 0.1857 0.0005 0.0165 0.0316 91 LEU B CG 2215 C CD1 . LEU B 121 ? 0.2597 0.3526 0.1863 0.0052 0.0161 0.0303 91 LEU B CD1 2216 C CD2 . LEU B 121 ? 0.2886 0.3728 0.2086 -0.0013 0.0184 0.0349 91 LEU B CD2 2217 N N . GLN B 122 ? 0.2448 0.3810 0.1712 -0.0033 0.0064 0.0289 92 GLN B N 2218 C CA . GLN B 122 ? 0.2444 0.3941 0.1711 -0.0025 0.0021 0.0279 92 GLN B CA 2219 C C . GLN B 122 ? 0.2788 0.4216 0.1988 -0.0053 0.0003 0.0280 92 GLN B C 2220 O O . GLN B 122 ? 0.2769 0.4249 0.1933 -0.0017 -0.0030 0.0278 92 GLN B O 2221 C CB . GLN B 122 ? 0.2571 0.4245 0.1920 -0.0090 0.0004 0.0264 92 GLN B CB 2222 C CG . GLN B 122 ? 0.4304 0.6129 0.3718 -0.0042 0.0010 0.0255 92 GLN B CG 2223 C CD . GLN B 122 ? 0.5790 0.7756 0.5208 0.0045 -0.0022 0.0245 92 GLN B CD 2224 O OE1 . GLN B 122 ? 0.5825 0.7786 0.5199 0.0067 -0.0053 0.0248 92 GLN B OE1 2225 N NE2 . GLN B 122 ? 0.3543 0.5646 0.3010 0.0106 -0.0018 0.0229 92 GLN B NE2 2226 N N . ARG B 123 ? 0.2216 0.3536 0.1395 -0.0108 0.0021 0.0277 93 ARG B N 2227 C CA . ARG B 123 ? 0.2206 0.3454 0.1317 -0.0132 0.0003 0.0265 93 ARG B CA 2228 C C . ARG B 123 ? 0.2930 0.4129 0.1956 -0.0066 0.0006 0.0280 93 ARG B C 2229 O O . ARG B 123 ? 0.2928 0.4047 0.1926 -0.0027 0.0044 0.0307 93 ARG B O 2230 C CB . ARG B 123 ? 0.2014 0.3148 0.1117 -0.0174 0.0028 0.0258 93 ARG B CB 2231 C CG . ARG B 123 ? 0.2635 0.3692 0.1660 -0.0185 0.0006 0.0234 93 ARG B CG 2232 C CD . ARG B 123 ? 0.2451 0.3413 0.1477 -0.0220 0.0020 0.0221 93 ARG B CD 2233 N NE . ARG B 123 ? 0.2517 0.3392 0.1457 -0.0206 0.0001 0.0190 93 ARG B NE 2234 C CZ . ARG B 123 ? 0.3027 0.3868 0.1922 -0.0239 -0.0059 0.0155 93 ARG B CZ 2235 N NH1 . ARG B 123 ? 0.0612 0.1511 0.0390 -0.0307 -0.0039 0.0099 93 ARG B NH1 2236 N NH2 . ARG B 123 ? 0.1857 0.2610 0.0664 -0.0209 -0.0077 0.0119 93 ARG B NH2 2237 N N . ARG B 124 ? 0.2613 0.3864 0.1596 -0.0059 -0.0039 0.0264 94 ARG B N 2238 C CA . ARG B 124 ? 0.2749 0.3966 0.1637 0.0002 -0.0044 0.0278 94 ARG B CA 2239 C C . ARG B 124 ? 0.3326 0.4530 0.2146 -0.0020 -0.0082 0.0243 94 ARG B C 2240 O O . ARG B 124 ? 0.3499 0.4788 0.2329 -0.0044 -0.0139 0.0216 94 ARG B O 2241 C CB . ARG B 124 ? 0.2916 0.4213 0.1801 0.0069 -0.0066 0.0298 94 ARG B CB 2242 C CG . ARG B 124 ? 0.4173 0.5639 0.3135 0.0058 -0.0112 0.0275 94 ARG B CG 2243 C CD . ARG B 124 ? 0.4948 0.6480 0.3911 0.0147 -0.0125 0.0294 94 ARG B CD 2244 N NE . ARG B 124 ? 0.5262 0.6838 0.4308 0.0160 -0.0103 0.0295 94 ARG B NE 2245 C CZ . ARG B 124 ? 0.6722 0.8295 0.5760 0.0248 -0.0105 0.0309 94 ARG B CZ 2246 N NH1 . ARG B 124 ? 0.5143 0.6661 0.4092 0.0329 -0.0127 0.0332 94 ARG B NH1 2247 N NH2 . ARG B 124 ? 0.4504 0.6118 0.3611 0.0263 -0.0088 0.0299 94 ARG B NH2 2248 N N . VAL B 125 ? 0.2714 0.3819 0.1470 -0.0015 -0.0055 0.0237 95 VAL B N 2249 C CA . VAL B 125 ? 0.2709 0.3780 0.1382 -0.0018 -0.0091 0.0195 95 VAL B CA 2250 C C . VAL B 125 ? 0.3178 0.4242 0.1742 0.0052 -0.0077 0.0213 95 VAL B C 2251 O O . VAL B 125 ? 0.2996 0.4018 0.1526 0.0081 -0.0022 0.0246 95 VAL B O 2252 C CB . VAL B 125 ? 0.3161 0.4138 0.1826 -0.0050 -0.0080 0.0163 95 VAL B CB 2253 C CG1 . VAL B 125 ? 0.3229 0.4159 0.1797 -0.0043 -0.0134 0.0107 95 VAL B CG1 2254 C CG2 . VAL B 125 ? 0.3032 0.4004 0.1794 -0.0121 -0.0089 0.0159 95 VAL B CG2 2255 N N . GLU B 126 ? 0.2998 0.4116 0.1509 0.0072 -0.0131 0.0193 96 GLU B N 2256 C CA . GLU B 126 ? 0.3143 0.4270 0.1538 0.0139 -0.0131 0.0208 96 GLU B CA 2257 C C . GLU B 126 ? 0.3823 0.4892 0.2120 0.0161 -0.0114 0.0178 96 GLU B C 2258 O O . GLU B 126 ? 0.3889 0.4914 0.2175 0.0135 -0.0145 0.0119 96 GLU B O 2259 C CB . GLU B 126 ? 0.3380 0.4590 0.1746 0.0154 -0.0203 0.0185 96 GLU B CB 2260 C CG . GLU B 126 ? 0.5005 0.6298 0.3426 0.0180 -0.0212 0.0226 96 GLU B CG 2261 C CD . GLU B 126 ? 0.8751 1.0160 0.7168 0.0187 -0.0291 0.0195 96 GLU B CD 2262 O OE1 . GLU B 126 ? 0.9227 1.0635 0.7555 0.0194 -0.0334 0.0156 96 GLU B OE1 2263 O OE2 . GLU B 126 ? 0.8115 0.9627 0.6617 0.0188 -0.0312 0.0205 96 GLU B OE2 2264 N N . PRO B 127 ? 0.3404 0.4474 0.1619 0.0215 -0.0062 0.0228 97 PRO B N 2265 C CA . PRO B 127 ? 0.3501 0.4554 0.1622 0.0245 -0.0040 0.0197 97 PRO B CA 2266 C C . PRO B 127 ? 0.4159 0.5229 0.2163 0.0285 -0.0103 0.0133 97 PRO B C 2267 O O . PRO B 127 ? 0.4201 0.5314 0.2169 0.0302 -0.0149 0.0136 97 PRO B O 2268 C CB . PRO B 127 ? 0.3760 0.4835 0.1826 0.0278 0.0031 0.0275 97 PRO B CB 2269 C CG . PRO B 127 ? 0.4256 0.5314 0.2397 0.0256 0.0047 0.0343 97 PRO B CG 2270 C CD . PRO B 127 ? 0.3646 0.4727 0.1829 0.0250 -0.0022 0.0312 97 PRO B CD 2271 N N . THR B 128 ? 0.3727 0.4764 0.1667 0.0308 -0.0107 0.0072 98 THR B N 2272 C CA . THR B 128 ? 0.3850 0.4891 0.1659 0.0358 -0.0167 0.0003 98 THR B CA 2273 C C . THR B 128 ? 0.4362 0.5467 0.2059 0.0432 -0.0101 0.0032 98 THR B C 2274 O O . THR B 128 ? 0.4326 0.5436 0.2031 0.0446 -0.0041 0.0034 98 THR B O 2275 C CB . THR B 128 ? 0.5132 0.6076 0.2933 0.0339 -0.0231 -0.0093 98 THR B CB 2276 O OG1 . THR B 128 ? 0.5163 0.6062 0.3090 0.0250 -0.0269 -0.0091 98 THR B OG1 2277 C CG2 . THR B 128 ? 0.5101 0.6025 0.2766 0.0383 -0.0315 -0.0176 98 THR B CG2 2278 N N . VAL B 129 ? 0.3914 0.5086 0.1514 0.0476 -0.0107 0.0064 99 VAL B N 2279 C CA . VAL B 129 ? 0.3864 0.5117 0.1351 0.0537 -0.0041 0.0109 99 VAL B CA 2280 C C . VAL B 129 ? 0.4507 0.5794 0.1833 0.0615 -0.0087 0.0029 99 VAL B C 2281 O O . VAL B 129 ? 0.4515 0.5794 0.1788 0.0628 -0.0166 -0.0010 99 VAL B O 2282 C CB . VAL B 129 ? 0.4218 0.5509 0.1694 0.0531 -0.0008 0.0223 99 VAL B CB 2283 C CG1 . VAL B 129 ? 0.4249 0.5624 0.1610 0.0572 0.0067 0.0289 99 VAL B CG1 2284 C CG2 . VAL B 129 ? 0.4013 0.5249 0.1639 0.0462 0.0021 0.0286 99 VAL B CG2 2285 N N . THR B 130 ? 0.4192 0.5528 0.1444 0.0671 -0.0042 -0.0003 100 THR B N 2286 C CA . THR B 130 ? 0.4411 0.5790 0.1496 0.0764 -0.0078 -0.0088 100 THR B CA 2287 C C . THR B 130 ? 0.5157 0.6686 0.2145 0.0827 0.0015 -0.0042 100 THR B C 2288 O O . THR B 130 ? 0.4984 0.6566 0.2051 0.0794 0.0102 0.0028 100 THR B O 2289 C CB . THR B 130 ? 0.5382 0.6656 0.2455 0.0787 -0.0146 -0.0219 100 THR B CB 2290 O OG1 . THR B 130 ? 0.5285 0.6554 0.2445 0.0776 -0.0085 -0.0214 100 THR B OG1 2291 C CG2 . THR B 130 ? 0.5174 0.6312 0.2311 0.0720 -0.0252 -0.0271 100 THR B CG2 2292 N N . ILE B 131 ? 0.4995 0.6606 0.1811 0.0915 -0.0004 -0.0081 101 ILE B N 2293 C CA . ILE B 131 ? 0.5117 0.6903 0.1826 0.0979 0.0084 -0.0042 101 ILE B CA 2294 C C . ILE B 131 ? 0.5837 0.7659 0.2422 0.1092 0.0052 -0.0179 101 ILE B C 2295 O O . ILE B 131 ? 0.5884 0.7628 0.2372 0.1141 -0.0046 -0.0280 101 ILE B O 2296 C CB . ILE B 131 ? 0.5630 0.7513 0.2224 0.0990 0.0109 0.0059 101 ILE B CB 2297 C CG1 . ILE B 131 ? 0.5551 0.7364 0.2255 0.0892 0.0124 0.0186 101 ILE B CG1 2298 C CG2 . ILE B 131 ? 0.5837 0.7924 0.2323 0.1043 0.0208 0.0112 101 ILE B CG2 2299 C CD1 . ILE B 131 ? 0.6321 0.8180 0.2906 0.0906 0.0123 0.0281 101 ILE B CD1 2300 N N . SER B 132 ? 0.5488 0.7430 0.2078 0.1135 0.0129 -0.0187 102 SER B N 2301 C CA . SER B 132 ? 0.5609 0.7614 0.2077 0.1263 0.0112 -0.0315 102 SER B CA 2302 C C . SER B 132 ? 0.6256 0.8533 0.2634 0.1329 0.0222 -0.0260 102 SER B C 2303 O O . SER B 132 ? 0.6064 0.8454 0.2544 0.1258 0.0322 -0.0144 102 SER B O 2304 C CB . SER B 132 ? 0.5900 0.7792 0.2467 0.1268 0.0087 -0.0399 102 SER B CB 2305 N N . PRO B 133 ? 0.6044 0.8440 0.2230 0.1457 0.0206 -0.0338 103 PRO B N 2306 C CA . PRO B 133 ? 0.6397 0.9086 0.2494 0.1516 0.0317 -0.0279 103 PRO B CA 2307 C C . PRO B 133 ? 0.9945 1.2771 0.6043 0.1617 0.0357 -0.0371 103 PRO B C 2308 O O . PRO B 133 ? 0.5360 0.8253 0.1606 0.1559 0.0427 -0.0315 103 PRO B O 2309 C CB . PRO B 133 ? 0.6783 0.9534 0.2666 0.1608 0.0274 -0.0320 103 PRO B CB 2310 C CG . PRO B 133 ? 0.7336 0.9829 0.3178 0.1642 0.0126 -0.0463 103 PRO B CG 2311 C CD . PRO B 133 ? 0.6528 0.8805 0.2562 0.1550 0.0086 -0.0481 103 PRO B CD 2312 N N . LEU B 144 ? 0.6734 1.0435 0.3229 0.1151 0.0894 0.0350 114 LEU B N 2313 C CA . LEU B 144 ? 0.6869 1.0532 0.3173 0.1278 0.0825 0.0251 114 LEU B CA 2314 C C . LEU B 144 ? 0.7136 1.0450 0.3457 0.1257 0.0705 0.0198 114 LEU B C 2315 O O . LEU B 144 ? 0.7132 1.0332 0.3389 0.1362 0.0616 0.0045 114 LEU B O 2316 C CB . LEU B 144 ? 0.7059 1.0921 0.3194 0.1278 0.0883 0.0363 114 LEU B CB 2317 C CG . LEU B 144 ? 0.7775 1.2029 0.3829 0.1351 0.0985 0.0372 114 LEU B CG 2318 C CD1 . LEU B 144 ? 0.7793 1.2233 0.3915 0.1199 0.1099 0.0572 114 LEU B CD1 2319 C CD2 . LEU B 144 ? 0.8280 1.2664 0.4095 0.1485 0.0968 0.0318 114 LEU B CD2 2320 N N . LEU B 145 ? 0.6469 0.9619 0.2870 0.1122 0.0698 0.0323 115 LEU B N 2321 C CA . LEU B 145 ? 0.6301 0.9156 0.2738 0.1092 0.0591 0.0285 115 LEU B CA 2322 C C . LEU B 145 ? 0.6292 0.8979 0.2938 0.0985 0.0585 0.0310 115 LEU B C 2323 O O . LEU B 145 ? 0.6122 0.8804 0.2853 0.0872 0.0638 0.0446 115 LEU B O 2324 C CB . LEU B 145 ? 0.6389 0.9187 0.2727 0.1052 0.0572 0.0391 115 LEU B CB 2325 C CG . LEU B 145 ? 0.7136 0.9953 0.3277 0.1162 0.0508 0.0319 115 LEU B CG 2326 C CD1 . LEU B 145 ? 0.7200 0.9900 0.3292 0.1109 0.0467 0.0418 115 LEU B CD1 2327 C CD2 . LEU B 145 ? 0.7414 1.0093 0.3548 0.1247 0.0400 0.0135 115 LEU B CD2 2328 N N . VAL B 146 ? 0.5677 0.8219 0.2399 0.1018 0.0516 0.0182 116 VAL B N 2329 C CA . VAL B 146 ? 0.5429 0.7822 0.2341 0.0925 0.0508 0.0198 116 VAL B CA 2330 C C . VAL B 146 ? 0.5739 0.7884 0.2700 0.0875 0.0413 0.0182 116 VAL B C 2331 O O . VAL B 146 ? 0.5684 0.7721 0.2587 0.0932 0.0322 0.0072 116 VAL B O 2332 C CB . VAL B 146 ? 0.5849 0.8267 0.2839 0.0973 0.0511 0.0094 116 VAL B CB 2333 C CG1 . VAL B 146 ? 0.5936 0.8272 0.2825 0.1096 0.0420 -0.0073 116 VAL B CG1 2334 C CG2 . VAL B 146 ? 0.5616 0.7892 0.2797 0.0872 0.0508 0.0122 116 VAL B CG2 2335 N N . CYS B 147 ? 0.5242 0.7307 0.2308 0.0767 0.0434 0.0294 117 CYS B N 2336 C CA . CYS B 147 ? 0.5209 0.7078 0.2349 0.0712 0.0360 0.0295 117 CYS B CA 2337 C C . CYS B 147 ? 0.5259 0.7024 0.2565 0.0660 0.0350 0.0256 117 CYS B C 2338 O O . CYS B 147 ? 0.5105 0.6883 0.2520 0.0588 0.0410 0.0334 117 CYS B O 2339 C CB . CYS B 147 ? 0.5391 0.7229 0.2528 0.0645 0.0381 0.0432 117 CYS B CB 2340 S SG . CYS B 147 ? 0.5879 0.7515 0.3108 0.0596 0.0293 0.0432 117 CYS B SG 2341 N N . SER B 148 ? 0.4621 0.6281 0.1939 0.0694 0.0272 0.0138 118 SER B N 2342 C CA . SER B 148 ? 0.4395 0.5947 0.1855 0.0648 0.0252 0.0097 118 SER B CA 2343 C C . SER B 148 ? 0.4619 0.6023 0.2168 0.0574 0.0192 0.0115 118 SER B C 2344 O O . SER B 148 ? 0.4555 0.5894 0.2052 0.0588 0.0112 0.0066 118 SER B O 2345 C CB . SER B 148 ? 0.4876 0.6393 0.2291 0.0723 0.0205 -0.0035 118 SER B CB 2346 O OG . SER B 148 ? 0.6552 0.7997 0.3852 0.0776 0.0115 -0.0121 118 SER B OG 2347 N N . VAL B 149 ? 0.3904 0.5275 0.1583 0.0496 0.0230 0.0188 119 VAL B N 2348 C CA . VAL B 149 ? 0.3680 0.4944 0.1460 0.0430 0.0190 0.0212 119 VAL B CA 2349 C C . VAL B 149 ? 0.4210 0.5391 0.2105 0.0393 0.0167 0.0155 119 VAL B C 2350 O O . VAL B 149 ? 0.4040 0.5233 0.2017 0.0363 0.0218 0.0182 119 VAL B O 2351 C CB . VAL B 149 ? 0.3967 0.5241 0.1801 0.0376 0.0246 0.0329 119 VAL B CB 2352 C CG1 . VAL B 149 ? 0.3799 0.4982 0.1715 0.0331 0.0202 0.0352 119 VAL B CG1 2353 C CG2 . VAL B 149 ? 0.4041 0.5401 0.1756 0.0404 0.0286 0.0403 119 VAL B CG2 2354 N N . THR B 150 ? 0.3866 0.4963 0.1759 0.0389 0.0086 0.0081 120 THR B N 2355 C CA . THR B 150 ? 0.3749 0.4758 0.1711 0.0364 0.0055 0.0022 120 THR B CA 2356 C C . THR B 150 ? 0.4149 0.5080 0.2220 0.0284 0.0010 0.0031 120 THR B C 2357 O O . THR B 150 ? 0.4072 0.5008 0.2142 0.0264 -0.0033 0.0041 120 THR B O 2358 C CB . THR B 150 ? 0.4590 0.5550 0.2443 0.0427 -0.0005 -0.0084 120 THR B CB 2359 O OG1 . THR B 150 ? 0.4688 0.5613 0.2468 0.0432 -0.0084 -0.0123 120 THR B OG1 2360 C CG2 . THR B 150 ? 0.4333 0.5398 0.2090 0.0513 0.0047 -0.0096 120 THR B CG2 2361 N N . ASP B 151 ? 0.3671 0.4551 0.1836 0.0244 0.0022 0.0025 121 ASP B N 2362 C CA . ASP B 151 ? 0.3620 0.4438 0.1888 0.0168 -0.0016 0.0029 121 ASP B CA 2363 C C . ASP B 151 ? 0.3913 0.4781 0.2257 0.0127 -0.0001 0.0097 121 ASP B C 2364 O O . ASP B 151 ? 0.3912 0.4791 0.2255 0.0108 -0.0054 0.0089 121 ASP B O 2365 C CB . ASP B 151 ? 0.4019 0.4753 0.2240 0.0150 -0.0110 -0.0042 121 ASP B CB 2366 C CG . ASP B 151 ? 0.5810 0.6454 0.3952 0.0195 -0.0141 -0.0118 121 ASP B CG 2367 O OD1 . ASP B 151 ? 0.5815 0.6449 0.3983 0.0216 -0.0098 -0.0118 121 ASP B OD1 2368 O OD2 . ASP B 151 ? 0.6984 0.7562 0.5030 0.0214 -0.0217 -0.0183 121 ASP B OD2 2369 N N . PHE B 152 ? 0.3230 0.4132 0.1627 0.0122 0.0067 0.0162 122 PHE B N 2370 C CA . PHE B 152 ? 0.3082 0.4009 0.1541 0.0098 0.0076 0.0220 122 PHE B CA 2371 C C . PHE B 152 ? 0.3414 0.4319 0.1988 0.0052 0.0110 0.0249 122 PHE B C 2372 O O . PHE B 152 ? 0.3351 0.4237 0.1949 0.0045 0.0146 0.0245 122 PHE B O 2373 C CB . PHE B 152 ? 0.3335 0.4302 0.1722 0.0139 0.0106 0.0278 122 PHE B CB 2374 C CG . PHE B 152 ? 0.3502 0.4486 0.1857 0.0153 0.0176 0.0316 122 PHE B CG 2375 C CD1 . PHE B 152 ? 0.3776 0.4746 0.2193 0.0121 0.0227 0.0378 122 PHE B CD1 2376 C CD2 . PHE B 152 ? 0.3810 0.4838 0.2068 0.0198 0.0190 0.0290 122 PHE B CD2 2377 C CE1 . PHE B 152 ? 0.3887 0.4892 0.2282 0.0118 0.0288 0.0420 122 PHE B CE1 2378 C CE2 . PHE B 152 ? 0.4136 0.5221 0.2372 0.0206 0.0258 0.0331 122 PHE B CE2 2379 C CZ . PHE B 152 ? 0.3805 0.4882 0.2114 0.0159 0.0308 0.0399 122 PHE B CZ 2380 N N . TYR B 153 ? 0.2860 0.3779 0.1500 0.0031 0.0096 0.0274 123 TYR B N 2381 C CA . TYR B 153 ? 0.2654 0.3557 0.1392 -0.0002 0.0124 0.0299 123 TYR B CA 2382 C C . TYR B 153 ? 0.3147 0.4076 0.1910 0.0014 0.0114 0.0337 123 TYR B C 2383 O O . TYR B 153 ? 0.3078 0.4061 0.1832 0.0026 0.0067 0.0321 123 TYR B O 2384 C CB . TYR B 153 ? 0.2662 0.3553 0.1471 -0.0052 0.0100 0.0259 123 TYR B CB 2385 C CG . TYR B 153 ? 0.2717 0.3591 0.1611 -0.0079 0.0137 0.0280 123 TYR B CG 2386 C CD1 . TYR B 153 ? 0.2842 0.3748 0.1801 -0.0088 0.0134 0.0299 123 TYR B CD1 2387 C CD2 . TYR B 153 ? 0.2801 0.3637 0.1704 -0.0086 0.0173 0.0276 123 TYR B CD2 2388 C CE1 . TYR B 153 ? 0.2778 0.3664 0.1803 -0.0106 0.0164 0.0312 123 TYR B CE1 2389 C CE2 . TYR B 153 ? 0.2828 0.3652 0.1806 -0.0110 0.0203 0.0293 123 TYR B CE2 2390 C CZ . TYR B 153 ? 0.3414 0.4255 0.2449 -0.0122 0.0198 0.0310 123 TYR B CZ 2391 O OH . TYR B 153 ? 0.3202 0.4027 0.2300 -0.0140 0.0222 0.0320 123 TYR B OH 2392 N N . PRO B 154 ? 0.2680 0.3570 0.1466 0.0020 0.0150 0.0383 124 PRO B N 2393 C CA . PRO B 154 ? 0.2697 0.3536 0.1506 -0.0004 0.0202 0.0407 124 PRO B CA 2394 C C . PRO B 154 ? 0.3327 0.4158 0.2056 0.0007 0.0240 0.0441 124 PRO B C 2395 O O . PRO B 154 ? 0.3240 0.4099 0.1885 0.0039 0.0227 0.0440 124 PRO B O 2396 C CB . PRO B 154 ? 0.2896 0.3693 0.1748 0.0000 0.0205 0.0439 124 PRO B CB 2397 C CG . PRO B 154 ? 0.3461 0.4273 0.2267 0.0050 0.0167 0.0453 124 PRO B CG 2398 C CD . PRO B 154 ? 0.2862 0.3759 0.1659 0.0054 0.0129 0.0408 124 PRO B CD 2399 N N . ALA B 155 ? 0.2983 0.3791 0.1738 -0.0023 0.0287 0.0470 125 ALA B N 2400 C CA . ALA B 155 ? 0.3018 0.3855 0.1720 -0.0028 0.0334 0.0507 125 ALA B CA 2401 C C . ALA B 155 ? 0.3801 0.4622 0.2409 -0.0013 0.0342 0.0576 125 ALA B C 2402 O O . ALA B 155 ? 0.3859 0.4742 0.2394 -0.0001 0.0370 0.0593 125 ALA B O 2403 C CB . ALA B 155 ? 0.3057 0.3886 0.1831 -0.0076 0.0374 0.0527 125 ALA B CB 2404 N N . GLN B 156 ? 0.3533 0.4274 0.2131 -0.0008 0.0318 0.0616 126 GLN B N 2405 C CA . GLN B 156 ? 0.3658 0.4353 0.2154 0.0007 0.0317 0.0689 126 GLN B CA 2406 C C . GLN B 156 ? 0.4152 0.4912 0.2547 0.0054 0.0306 0.0686 126 GLN B C 2407 O O . GLN B 156 ? 0.4066 0.4854 0.2458 0.0095 0.0262 0.0636 126 GLN B O 2408 C CB . GLN B 156 ? 0.3916 0.4503 0.2417 0.0028 0.0275 0.0709 126 GLN B CB 2409 C CG . GLN B 156 ? 0.6904 0.7432 0.5504 -0.0010 0.0280 0.0695 126 GLN B CG 2410 C CD . GLN B 156 ? 0.9491 1.0057 0.8181 0.0013 0.0249 0.0620 126 GLN B CD 2411 O OE1 . GLN B 156 ? 0.8226 0.8850 0.6992 -0.0015 0.0265 0.0573 126 GLN B OE1 2412 N NE2 . GLN B 156 ? 0.8613 0.9149 0.7291 0.0066 0.0203 0.0613 126 GLN B NE2 2413 N N . ILE B 157 ? 0.3826 0.4625 0.2138 0.0044 0.0345 0.0739 127 ILE B N 2414 C CA . ILE B 157 ? 0.3878 0.4753 0.2078 0.0092 0.0340 0.0737 127 ILE B CA 2415 C C . ILE B 157 ? 0.4555 0.5425 0.2644 0.0074 0.0375 0.0841 127 ILE B C 2416 O O . ILE B 157 ? 0.4479 0.5336 0.2590 0.0010 0.0420 0.0902 127 ILE B O 2417 C CB . ILE B 157 ? 0.4160 0.5150 0.2371 0.0110 0.0356 0.0656 127 ILE B CB 2418 C CG1 . ILE B 157 ? 0.4263 0.5312 0.2365 0.0175 0.0323 0.0618 127 ILE B CG1 2419 C CG2 . ILE B 157 ? 0.4176 0.5250 0.2401 0.0076 0.0424 0.0678 127 ILE B CG2 2420 C CD1 . ILE B 157 ? 0.5076 0.6097 0.3204 0.0204 0.0251 0.0546 127 ILE B CD1 2421 N N . LYS B 158 ? 0.4305 0.5189 0.2274 0.0126 0.0349 0.0863 128 LYS B N 2422 C CA . LYS B 158 ? 0.4483 0.5371 0.2319 0.0116 0.0376 0.0965 128 LYS B CA 2423 C C . LYS B 158 ? 0.4979 0.5981 0.2704 0.0183 0.0368 0.0934 128 LYS B C 2424 O O . LYS B 158 ? 0.4921 0.5909 0.2618 0.0244 0.0308 0.0883 128 LYS B O 2425 C CB . LYS B 158 ? 0.4935 0.5657 0.2714 0.0117 0.0335 0.1048 128 LYS B CB 2426 N N . VAL B 159 ? 0.4620 0.5753 0.2285 0.0172 0.0428 0.0957 129 VAL B N 2427 C CA . VAL B 159 ? 0.4683 0.5941 0.2227 0.0239 0.0428 0.0924 129 VAL B CA 2428 C C . VAL B 159 ? 0.5476 0.6777 0.2880 0.0220 0.0469 0.1047 129 VAL B C 2429 O O . VAL B 159 ? 0.5482 0.6811 0.2904 0.0144 0.0529 0.1129 129 VAL B O 2430 C CB . VAL B 159 ? 0.5051 0.6450 0.2636 0.0266 0.0458 0.0825 129 VAL B CB 2431 C CG1 . VAL B 159 ? 0.5126 0.6637 0.2574 0.0350 0.0444 0.0774 129 VAL B CG1 2432 C CG2 . VAL B 159 ? 0.4840 0.6174 0.2561 0.0266 0.0418 0.0722 129 VAL B CG2 2433 N N . ARG B 160 ? 0.5259 0.6568 0.2522 0.0283 0.0433 0.1063 130 ARG B N 2434 C CA . ARG B 160 ? 0.5441 0.6789 0.2544 0.0272 0.0465 0.1184 130 ARG B CA 2435 C C . ARG B 160 ? 0.6133 0.7638 0.3099 0.0358 0.0463 0.1135 130 ARG B C 2436 O O . ARG B 160 ? 0.5996 0.7494 0.2954 0.0435 0.0399 0.1033 130 ARG B O 2437 C CB . ARG B 160 ? 0.5483 0.6641 0.2521 0.0265 0.0411 0.1278 130 ARG B CB 2438 C CG . ARG B 160 ? 0.6581 0.7583 0.3699 0.0170 0.0424 0.1361 130 ARG B CG 2439 C CD . ARG B 160 ? 0.7891 0.8672 0.4978 0.0191 0.0349 0.1407 130 ARG B CD 2440 N NE . ARG B 160 ? 0.9592 1.0293 0.6498 0.0187 0.0338 0.1540 130 ARG B NE 2441 C CZ . ARG B 160 ? 1.1682 1.2329 0.8466 0.0274 0.0273 0.1550 130 ARG B CZ 2442 N NH1 . ARG B 160 ? 0.9800 1.0481 0.6636 0.0366 0.0215 0.1434 130 ARG B NH1 2443 N NH2 . ARG B 160 ? 1.0371 1.0935 0.6982 0.0265 0.0264 0.1682 130 ARG B NH2 2444 N N . TRP B 161 ? 0.6004 0.7664 0.2866 0.0343 0.0533 0.1206 131 TRP B N 2445 C CA . TRP B 161 ? 0.6135 0.7962 0.2848 0.0429 0.0539 0.1166 131 TRP B CA 2446 C C . TRP B 161 ? 0.6910 0.8716 0.3438 0.0442 0.0527 0.1283 131 TRP B C 2447 O O . TRP B 161 ? 0.6893 0.8640 0.3383 0.0360 0.0560 0.1428 131 TRP B O 2448 C CB . TRP B 161 ? 0.5968 0.8029 0.2680 0.0425 0.0628 0.1149 131 TRP B CB 2449 C CG . TRP B 161 ? 0.5945 0.8084 0.2723 0.0503 0.0611 0.0982 131 TRP B CG 2450 C CD1 . TRP B 161 ? 0.6159 0.8354 0.3075 0.0481 0.0647 0.0920 131 TRP B CD1 2451 C CD2 . TRP B 161 ? 0.5952 0.8106 0.2648 0.0614 0.0546 0.0854 131 TRP B CD2 2452 N NE1 . TRP B 161 ? 0.6034 0.8262 0.2952 0.0575 0.0607 0.0766 131 TRP B NE1 2453 C CE2 . TRP B 161 ? 0.6319 0.8517 0.3104 0.0654 0.0543 0.0721 131 TRP B CE2 2454 C CE3 . TRP B 161 ? 0.6241 0.8371 0.2792 0.0685 0.0484 0.0839 131 TRP B CE3 2455 C CZ2 . TRP B 161 ? 0.6264 0.8462 0.2989 0.0755 0.0476 0.0576 131 TRP B CZ2 2456 C CZ3 . TRP B 161 ? 0.6434 0.8583 0.2937 0.0782 0.0420 0.0692 131 TRP B CZ3 2457 C CH2 . TRP B 161 ? 0.6410 0.8581 0.2998 0.0812 0.0414 0.0563 131 TRP B CH2 2458 N N . PHE B 162 ? 0.6752 0.8595 0.3160 0.0541 0.0474 0.1221 132 PHE B N 2459 C CA . PHE B 162 ? 0.7040 0.8874 0.3254 0.0573 0.0452 0.1320 132 PHE B CA 2460 C C . PHE B 162 ? 0.7723 0.9761 0.3774 0.0664 0.0465 0.1270 132 PHE B C 2461 O O . PHE B 162 ? 0.7550 0.9641 0.3619 0.0743 0.0424 0.1122 132 PHE B O 2462 C CB . PHE B 162 ? 0.7323 0.8972 0.3533 0.0618 0.0348 0.1302 132 PHE B CB 2463 C CG . PHE B 162 ? 0.7560 0.8996 0.3846 0.0549 0.0328 0.1395 132 PHE B CG 2464 C CD1 . PHE B 162 ? 0.7770 0.9105 0.4251 0.0514 0.0310 0.1328 132 PHE B CD1 2465 C CD2 . PHE B 162 ? 0.8065 0.9389 0.4216 0.0525 0.0318 0.1546 132 PHE B CD2 2466 C CE1 . PHE B 162 ? 0.7897 0.9036 0.4435 0.0465 0.0285 0.1401 132 PHE B CE1 2467 C CE2 . PHE B 162 ? 0.8444 0.9548 0.4649 0.0473 0.0288 0.1622 132 PHE B CE2 2468 C CZ . PHE B 162 ? 0.8005 0.9020 0.4404 0.0447 0.0272 0.1545 132 PHE B CZ 2469 N N . ARG B 163 ? 0.7648 0.9791 0.3532 0.0651 0.0517 0.1396 133 ARG B N 2470 C CA . ARG B 163 ? 0.7842 1.0160 0.3531 0.0747 0.0518 0.1369 133 ARG B CA 2471 C C . ARG B 163 ? 0.8720 1.0920 0.4254 0.0780 0.0450 0.1453 133 ARG B C 2472 O O . ARG B 163 ? 0.8773 1.0893 0.4233 0.0712 0.0471 0.1616 133 ARG B O 2473 C CB . ARG B 163 ? 0.7955 1.0512 0.3549 0.0714 0.0628 0.1457 133 ARG B CB 2474 C CG . ARG B 163 ? 0.9242 1.2017 0.4637 0.0826 0.0637 0.1409 133 ARG B CG 2475 C CD . ARG B 163 ? 1.0205 1.3273 0.5597 0.0841 0.0737 0.1373 133 ARG B CD 2476 N NE . ARG B 163 ? 1.1395 1.4600 0.6761 0.0727 0.0843 0.1550 133 ARG B NE 2477 C CZ . ARG B 163 ? 1.3288 1.6703 0.8463 0.0732 0.0905 0.1657 133 ARG B CZ 2478 N NH1 . ARG B 163 ? 1.1499 1.5012 0.6486 0.0857 0.0871 0.1599 133 ARG B NH1 2479 N NH2 . ARG B 163 ? 1.1692 1.5232 0.6864 0.0607 0.0999 0.1823 133 ARG B NH2 2480 N N . ASN B 164 ? 0.8531 1.0705 0.4019 0.0881 0.0360 0.1341 134 ASN B N 2481 C CA . ASN B 164 ? 0.8773 1.0831 0.4134 0.0924 0.0282 0.1404 134 ASN B CA 2482 C C . ASN B 164 ? 0.9539 1.1358 0.4991 0.0854 0.0250 0.1503 134 ASN B C 2483 O O . ASN B 164 ? 0.9192 1.0908 0.4833 0.0820 0.0231 0.1439 134 ASN B O 2484 C CB . ASN B 164 ? 0.8956 1.1144 0.4072 0.0951 0.0319 0.1520 134 ASN B CB 2485 C CG . ASN B 164 ? 1.1284 1.3720 0.6306 0.1030 0.0354 0.1416 134 ASN B CG 2486 O OD1 . ASN B 164 ? 1.0720 1.3331 0.5714 0.0996 0.0453 0.1457 134 ASN B OD1 2487 N ND2 . ASN B 164 ? 0.9997 1.2454 0.4972 0.1138 0.0269 0.1274 134 ASN B ND2 2488 N N . ASP B 165 ? 0.9630 1.1354 0.4934 0.0838 0.0240 0.1660 135 ASP B N 2489 C CA . ASP B 165 ? 0.9752 1.1229 0.5105 0.0785 0.0203 0.1758 135 ASP B CA 2490 C C . ASP B 165 ? 1.0171 1.1599 0.5669 0.0658 0.0280 0.1812 135 ASP B C 2491 O O . ASP B 165 ? 1.0018 1.1260 0.5642 0.0619 0.0248 0.1818 135 ASP B O 2492 C CB . ASP B 165 ? 1.0360 1.1740 0.5487 0.0795 0.0177 0.1927 135 ASP B CB 2493 C CG . ASP B 165 ? 1.2020 1.3246 0.7098 0.0896 0.0053 0.1906 135 ASP B CG 2494 O OD1 . ASP B 165 ? 1.2060 1.3103 0.7263 0.0888 0.0002 0.1892 135 ASP B OD1 2495 O OD2 . ASP B 165 ? 1.2828 1.4127 0.7737 0.0987 0.0007 0.1904 135 ASP B OD2 2496 N N . GLN B 166 ? 0.9787 1.1389 0.5252 0.0595 0.0379 0.1863 136 GLN B N 2497 C CA . GLN B 166 ? 0.9734 1.1296 0.5288 0.0459 0.0453 0.1962 136 GLN B CA 2498 C C . GLN B 166 ? 0.9919 1.1520 0.5703 0.0418 0.0488 0.1851 136 GLN B C 2499 O O . GLN B 166 ? 0.9709 1.1449 0.5564 0.0486 0.0489 0.1702 136 GLN B O 2500 C CB . GLN B 166 ? 1.0088 1.1841 0.5503 0.0393 0.0549 0.2091 136 GLN B CB 2501 C CG . GLN B 166 ? 1.2201 1.3779 0.7509 0.0279 0.0556 0.2303 136 GLN B CG 2502 C CD . GLN B 166 ? 1.4569 1.6311 0.9884 0.0140 0.0667 0.2419 136 GLN B CD 2503 O OE1 . GLN B 166 ? 1.4265 1.6111 0.9402 0.0095 0.0713 0.2561 136 GLN B OE1 2504 N NE2 . GLN B 166 ? 1.3143 1.4922 0.8663 0.0067 0.0712 0.2364 136 GLN B NE2 2505 N N . GLU B 167 ? 0.9456 1.0928 0.5344 0.0303 0.0514 0.1931 137 GLU B N 2506 C CA . GLU B 167 ? 0.9184 1.0699 0.5288 0.0257 0.0551 0.1836 137 GLU B CA 2507 C C . GLU B 167 ? 0.9707 1.1469 0.5822 0.0183 0.0661 0.1877 137 GLU B C 2508 O O . GLU B 167 ? 0.9875 1.1714 0.5852 0.0122 0.0711 0.2022 137 GLU B O 2509 C CB . GLU B 167 ? 0.9315 1.0570 0.5537 0.0179 0.0515 0.1882 137 GLU B CB 2510 C CG . GLU B 167 ? 1.0550 1.1790 0.6993 0.0181 0.0507 0.1742 137 GLU B CG 2511 C CD . GLU B 167 ? 1.3286 1.4397 0.9857 0.0063 0.0529 0.1799 137 GLU B CD 2512 O OE1 . GLU B 167 ? 1.2463 1.3724 0.9102 -0.0018 0.0608 0.1818 137 GLU B OE1 2513 O OE2 . GLU B 167 ? 1.2601 1.3471 0.9204 0.0058 0.0463 0.1817 137 GLU B OE2 2514 N N . GLU B 168 ? 0.9075 1.0973 0.5346 0.0190 0.0699 0.1757 138 GLU B N 2515 C CA . GLU B 168 ? 0.9058 1.1231 0.5343 0.0152 0.0799 0.1769 138 GLU B CA 2516 C C . GLU B 168 ? 0.9552 1.1695 0.6017 0.0036 0.0838 0.1792 138 GLU B C 2517 O O . GLU B 168 ? 0.9315 1.1398 0.5938 0.0061 0.0811 0.1672 138 GLU B O 2518 C CB . GLU B 168 ? 0.9083 1.1443 0.5396 0.0275 0.0801 0.1591 138 GLU B CB 2519 C CG . GLU B 168 ? 1.0483 1.3068 0.6609 0.0364 0.0829 0.1583 138 GLU B CG 2520 C CD . GLU B 168 ? 1.2461 1.5282 0.8508 0.0284 0.0934 0.1722 138 GLU B CD 2521 O OE1 . GLU B 168 ? 1.1593 1.4684 0.7671 0.0315 0.1003 0.1661 138 GLU B OE1 2522 O OE2 . GLU B 168 ? 1.1134 1.3870 0.7088 0.0192 0.0943 0.1892 138 GLU B OE2 2523 N N . THR B 169 ? 0.9318 1.1503 0.5760 -0.0096 0.0897 0.1948 139 THR B N 2524 C CA . THR B 169 ? 0.9187 1.1395 0.5802 -0.0209 0.0940 0.1963 139 THR B CA 2525 C C . THR B 169 ? 0.9532 1.2099 0.6200 -0.0232 0.1042 0.1947 139 THR B C 2526 O O . THR B 169 ? 0.9330 1.1958 0.6166 -0.0274 0.1068 0.1894 139 THR B O 2527 C CB . THR B 169 ? 1.0540 1.2523 0.7146 -0.0363 0.0925 0.2129 139 THR B CB 2528 O OG1 . THR B 169 ? 1.0670 1.2719 0.7095 -0.0433 0.0962 0.2300 139 THR B OG1 2529 C CG2 . THR B 169 ? 1.0388 1.2012 0.6996 -0.0325 0.0820 0.2107 139 THR B CG2 2530 N N . THR B 170 ? 0.9122 1.1935 0.5643 -0.0204 0.1099 0.1999 140 THR B N 2531 C CA . THR B 170 ? 0.9005 1.2192 0.5568 -0.0233 0.1202 0.2005 140 THR B CA 2532 C C . THR B 170 ? 0.9106 1.2500 0.5780 -0.0111 0.1222 0.1818 140 THR B C 2533 O O . THR B 170 ? 0.8963 1.2519 0.5778 -0.0164 0.1275 0.1801 140 THR B O 2534 C CB . THR B 170 ? 1.0073 1.3509 0.6437 -0.0236 0.1266 0.2120 140 THR B CB 2535 N N . GLY B 171 ? 0.8439 1.1802 0.5048 0.0049 0.1171 0.1675 141 GLY B N 2536 C CA . GLY B 171 ? 0.8216 1.1803 0.4861 0.0183 0.1191 0.1509 141 GLY B CA 2537 C C . GLY B 171 ? 0.8260 1.1671 0.5059 0.0239 0.1127 0.1352 141 GLY B C 2538 O O . GLY B 171 ? 0.8042 1.1543 0.4846 0.0368 0.1111 0.1199 141 GLY B O 2539 N N . VAL B 172 ? 0.7707 1.0851 0.4618 0.0141 0.1084 0.1398 142 VAL B N 2540 C CA . VAL B 172 ? 0.7468 1.0386 0.4518 0.0170 0.1012 0.1279 142 VAL B CA 2541 C C . VAL B 172 ? 0.7659 1.0640 0.4897 0.0116 0.1045 0.1243 142 VAL B C 2542 O O . VAL B 172 ? 0.7597 1.0558 0.4919 -0.0015 0.1077 0.1348 142 VAL B O 2543 C CB . VAL B 172 ? 0.7986 1.0582 0.5046 0.0103 0.0944 0.1348 142 VAL B CB 2544 C CG1 . VAL B 172 ? 0.8043 1.0519 0.4962 0.0197 0.0874 0.1313 142 VAL B CG1 2545 C CG2 . VAL B 172 ? 0.8115 1.0687 0.5149 -0.0044 0.0986 0.1533 142 VAL B CG2 2546 N N . VAL B 173 ? 0.6958 0.9995 0.4253 0.0223 0.1026 0.1088 143 VAL B N 2547 C CA . VAL B 173 ? 0.6697 0.9794 0.4162 0.0204 0.1046 0.1026 143 VAL B CA 2548 C C . VAL B 173 ? 0.6951 0.9805 0.4492 0.0262 0.0959 0.0897 143 VAL B C 2549 O O . VAL B 173 ? 0.6967 0.9796 0.4439 0.0383 0.0911 0.0777 143 VAL B O 2550 C CB . VAL B 173 ? 0.7169 1.0611 0.4628 0.0281 0.1114 0.0967 143 VAL B CB 2551 N N . SER B 174 ? 0.6230 0.8901 0.3907 0.0171 0.0935 0.0923 144 SER B N 2552 C CA . SER B 174 ? 0.6043 0.8497 0.3799 0.0208 0.0858 0.0818 144 SER B CA 2553 C C . SER B 174 ? 0.6213 0.8709 0.4122 0.0197 0.0870 0.0756 144 SER B C 2554 O O . SER B 174 ? 0.6113 0.8708 0.4111 0.0106 0.0924 0.0828 144 SER B O 2555 C CB . SER B 174 ? 0.6522 0.8716 0.4301 0.0134 0.0807 0.0883 144 SER B CB 2556 O OG . SER B 174 ? 0.7410 0.9428 0.5285 0.0153 0.0743 0.0793 144 SER B OG 2557 N N . THR B 175 ? 0.5482 0.7884 0.3418 0.0281 0.0812 0.0625 145 THR B N 2558 C CA . THR B 175 ? 0.5197 0.7596 0.3266 0.0283 0.0806 0.0556 145 THR B CA 2559 C C . THR B 175 ? 0.5240 0.7454 0.3427 0.0173 0.0786 0.0613 145 THR B C 2560 O O . THR B 175 ? 0.5146 0.7190 0.3298 0.0139 0.0749 0.0656 145 THR B O 2561 C CB . THR B 175 ? 0.6008 0.8314 0.4051 0.0397 0.0736 0.0409 145 THR B CB 2562 O OG1 . THR B 175 ? 0.5520 0.7575 0.3573 0.0375 0.0661 0.0389 145 THR B OG1 2563 C CG2 . THR B 175 ? 0.6229 0.8662 0.4126 0.0522 0.0733 0.0337 145 THR B CG2 2564 N N . PRO B 176 ? 0.4519 0.6755 0.2841 0.0126 0.0802 0.0605 146 PRO B N 2565 C CA . PRO B 176 ? 0.4336 0.6376 0.2756 0.0036 0.0771 0.0643 146 PRO B CA 2566 C C . PRO B 176 ? 0.4627 0.6460 0.3048 0.0084 0.0692 0.0560 146 PRO B C 2567 O O . PRO B 176 ? 0.4613 0.6448 0.2965 0.0176 0.0659 0.0473 146 PRO B O 2568 C CB . PRO B 176 ? 0.4459 0.6603 0.3010 -0.0007 0.0805 0.0637 146 PRO B CB 2569 C CG . PRO B 176 ? 0.5045 0.7388 0.3577 0.0094 0.0826 0.0555 146 PRO B CG 2570 C CD . PRO B 176 ? 0.4626 0.7062 0.3012 0.0165 0.0840 0.0553 146 PRO B CD 2571 N N . LEU B 177 ? 0.3973 0.5631 0.2463 0.0021 0.0659 0.0585 147 LEU B N 2572 C CA . LEU B 177 ? 0.3817 0.5313 0.2319 0.0054 0.0589 0.0514 147 LEU B CA 2573 C C . LEU B 177 ? 0.4247 0.5762 0.2802 0.0100 0.0571 0.0418 147 LEU B C 2574 O O . LEU B 177 ? 0.4165 0.5754 0.2803 0.0076 0.0603 0.0420 147 LEU B O 2575 C CB . LEU B 177 ? 0.3740 0.5080 0.2308 -0.0014 0.0563 0.0558 147 LEU B CB 2576 C CG . LEU B 177 ? 0.4204 0.5409 0.2788 0.0010 0.0495 0.0499 147 LEU B CG 2577 C CD1 . LEU B 177 ? 0.4282 0.5454 0.2763 0.0051 0.0459 0.0499 147 LEU B CD1 2578 C CD2 . LEU B 177 ? 0.4336 0.5433 0.3007 -0.0047 0.0480 0.0526 147 LEU B CD2 2579 N N . ILE B 178 ? 0.3771 0.5219 0.2268 0.0168 0.0515 0.0336 148 ILE B N 2580 C CA . ILE B 178 ? 0.3658 0.5084 0.2170 0.0222 0.0481 0.0242 148 ILE B CA 2581 C C . ILE B 178 ? 0.3878 0.5132 0.2443 0.0189 0.0418 0.0212 148 ILE B C 2582 O O . ILE B 178 ? 0.3887 0.5051 0.2413 0.0182 0.0373 0.0208 148 ILE B O 2583 C CB . ILE B 178 ? 0.4182 0.5655 0.2568 0.0326 0.0457 0.0165 148 ILE B CB 2584 C CG1 . ILE B 178 ? 0.4409 0.6089 0.2731 0.0363 0.0526 0.0199 148 ILE B CG1 2585 C CG2 . ILE B 178 ? 0.4178 0.5591 0.2559 0.0392 0.0409 0.0064 148 ILE B CG2 2586 C CD1 . ILE B 178 ? 0.5949 0.7821 0.4343 0.0366 0.0594 0.0214 148 ILE B CD1 2587 N N . ARG B 179 ? 0.3231 0.4457 0.1883 0.0169 0.0416 0.0193 149 ARG B N 2588 C CA . ARG B 179 ? 0.3079 0.4165 0.1783 0.0134 0.0363 0.0168 149 ARG B CA 2589 C C . ARG B 179 ? 0.3676 0.4690 0.2318 0.0196 0.0304 0.0080 149 ARG B C 2590 O O . ARG B 179 ? 0.3670 0.4736 0.2303 0.0253 0.0313 0.0039 149 ARG B O 2591 C CB . ARG B 179 ? 0.2695 0.3789 0.1515 0.0080 0.0390 0.0199 149 ARG B CB 2592 C CG . ARG B 179 ? 0.3503 0.4473 0.2376 0.0040 0.0342 0.0183 149 ARG B CG 2593 C CD . ARG B 179 ? 0.3378 0.4358 0.2350 0.0000 0.0364 0.0200 149 ARG B CD 2594 N NE . ARG B 179 ? 0.3294 0.4325 0.2321 -0.0051 0.0411 0.0267 149 ARG B NE 2595 C CZ . ARG B 179 ? 0.4028 0.4998 0.3082 -0.0097 0.0404 0.0305 149 ARG B CZ 2596 N NH1 . ARG B 179 ? 0.2758 0.3648 0.1803 -0.0101 0.0359 0.0285 149 ARG B NH1 2597 N NH2 . ARG B 179 ? 0.2028 0.3016 0.1114 -0.0138 0.0438 0.0362 149 ARG B NH2 2598 N N . ASN B 180 ? 0.3247 0.4147 0.1843 0.0188 0.0239 0.0051 150 ASN B N 2599 C CA . ASN B 180 ? 0.3233 0.4027 0.1754 0.0234 0.0168 -0.0028 150 ASN B CA 2600 C C . ASN B 180 ? 0.3608 0.4294 0.2186 0.0201 0.0132 -0.0045 150 ASN B C 2601 O O . ASN B 180 ? 0.3606 0.4203 0.2125 0.0248 0.0082 -0.0106 150 ASN B O 2602 C CB . ASN B 180 ? 0.3068 0.3783 0.1512 0.0225 0.0105 -0.0051 150 ASN B CB 2603 C CG . ASN B 180 ? 0.4411 0.5215 0.2764 0.0281 0.0124 -0.0054 150 ASN B CG 2604 O OD1 . ASN B 180 ? 0.3515 0.4409 0.1818 0.0351 0.0160 -0.0073 150 ASN B OD1 2605 N ND2 . ASN B 180 ? 0.2887 0.3678 0.1215 0.0251 0.0099 -0.0034 150 ASN B ND2 2606 N N . GLY B 181 ? 0.3065 0.3752 0.1745 0.0123 0.0153 0.0010 151 GLY B N 2607 C CA . GLY B 181 ? 0.3081 0.3686 0.1820 0.0082 0.0128 0.0009 151 GLY B CA 2608 C C . GLY B 181 ? 0.3828 0.4318 0.2561 0.0017 0.0062 0.0008 151 GLY B C 2609 O O . GLY B 181 ? 0.3744 0.4169 0.2517 -0.0026 0.0040 0.0016 151 GLY B O 2610 N N . ASP B 182 ? 0.3522 0.3997 0.2201 0.0007 0.0029 0.0000 152 ASP B N 2611 C CA . ASP B 182 ? 0.3497 0.3896 0.2173 -0.0064 -0.0036 0.0001 152 ASP B CA 2612 C C . ASP B 182 ? 0.3879 0.4377 0.2614 -0.0109 -0.0012 0.0050 152 ASP B C 2613 O O . ASP B 182 ? 0.3968 0.4456 0.2686 -0.0149 -0.0062 0.0046 152 ASP B O 2614 C CB . ASP B 182 ? 0.3849 0.4136 0.2405 -0.0038 -0.0116 -0.0061 152 ASP B CB 2615 C CG . ASP B 182 ? 0.4742 0.5093 0.3225 0.0024 -0.0107 -0.0083 152 ASP B CG 2616 O OD1 . ASP B 182 ? 0.4445 0.4920 0.2957 0.0059 -0.0033 -0.0051 152 ASP B OD1 2617 O OD2 . ASP B 182 ? 0.5779 0.6051 0.4170 0.0031 -0.0178 -0.0131 152 ASP B OD2 2618 N N . TRP B 183 ? 0.3131 0.3723 0.1933 -0.0100 0.0058 0.0095 153 TRP B N 2619 C CA . TRP B 183 ? 0.2953 0.3626 0.1807 -0.0123 0.0084 0.0142 153 TRP B CA 2620 C C . TRP B 183 ? 0.3496 0.4209 0.2280 -0.0083 0.0080 0.0142 153 TRP B C 2621 O O . TRP B 183 ? 0.3572 0.4332 0.2372 -0.0098 0.0068 0.0164 153 TRP B O 2622 C CB . TRP B 183 ? 0.2668 0.3350 0.1583 -0.0190 0.0051 0.0155 153 TRP B CB 2623 C CG . TRP B 183 ? 0.2667 0.3332 0.1650 -0.0226 0.0066 0.0168 153 TRP B CG 2624 C CD1 . TRP B 183 ? 0.3076 0.3656 0.2045 -0.0250 0.0035 0.0147 153 TRP B CD1 2625 C CD2 . TRP B 183 ? 0.2539 0.3262 0.1603 -0.0238 0.0110 0.0203 153 TRP B CD2 2626 N NE1 . TRP B 183 ? 0.2895 0.3493 0.1934 -0.0278 0.0060 0.0171 153 TRP B NE1 2627 C CE2 . TRP B 183 ? 0.2992 0.3680 0.2092 -0.0271 0.0106 0.0201 153 TRP B CE2 2628 C CE3 . TRP B 183 ? 0.2627 0.3414 0.1726 -0.0220 0.0144 0.0234 153 TRP B CE3 2629 C CZ2 . TRP B 183 ? 0.2817 0.3547 0.1989 -0.0285 0.0139 0.0225 153 TRP B CZ2 2630 C CZ3 . TRP B 183 ? 0.2706 0.3517 0.1874 -0.0232 0.0172 0.0254 153 TRP B CZ3 2631 C CH2 . TRP B 183 ? 0.2750 0.3541 0.1956 -0.0264 0.0171 0.0247 153 TRP B CH2 2632 N N . THR B 184 ? 0.2939 0.3644 0.1641 -0.0027 0.0086 0.0113 154 THR B N 2633 C CA . THR B 184 ? 0.2929 0.3686 0.1556 0.0019 0.0096 0.0119 154 THR B CA 2634 C C . THR B 184 ? 0.3344 0.4161 0.1940 0.0069 0.0160 0.0136 154 THR B C 2635 O O . THR B 184 ? 0.3178 0.3993 0.1785 0.0086 0.0180 0.0115 154 THR B O 2636 C CB . THR B 184 ? 0.3738 0.4454 0.2265 0.0043 0.0027 0.0062 154 THR B CB 2637 O OG1 . THR B 184 ? 0.3877 0.4508 0.2359 0.0063 -0.0007 0.0002 154 THR B OG1 2638 C CG2 . THR B 184 ? 0.3459 0.4164 0.2015 -0.0012 -0.0029 0.0061 154 THR B CG2 2639 N N . PHE B 185 ? 0.2879 0.3757 0.1432 0.0089 0.0188 0.0177 155 PHE B N 2640 C CA . PHE B 185 ? 0.2885 0.3844 0.1399 0.0124 0.0249 0.0206 155 PHE B CA 2641 C C . PHE B 185 ? 0.3508 0.4513 0.1896 0.0188 0.0238 0.0179 155 PHE B C 2642 O O . PHE B 185 ? 0.3396 0.4364 0.1726 0.0203 0.0182 0.0146 155 PHE B O 2643 C CB . PHE B 185 ? 0.3077 0.4064 0.1635 0.0087 0.0297 0.0291 155 PHE B CB 2644 C CG . PHE B 185 ? 0.3191 0.4146 0.1861 0.0035 0.0316 0.0314 155 PHE B CG 2645 C CD1 . PHE B 185 ? 0.3540 0.4538 0.2256 0.0025 0.0361 0.0319 155 PHE B CD1 2646 C CD2 . PHE B 185 ? 0.3428 0.4328 0.2157 0.0001 0.0289 0.0326 155 PHE B CD2 2647 C CE1 . PHE B 185 ? 0.3573 0.4543 0.2387 -0.0022 0.0373 0.0336 155 PHE B CE1 2648 C CE2 . PHE B 185 ? 0.3699 0.4574 0.2521 -0.0040 0.0305 0.0341 155 PHE B CE2 2649 C CZ . PHE B 185 ? 0.3395 0.4296 0.2256 -0.0053 0.0345 0.0346 155 PHE B CZ 2650 N N . GLN B 186 ? 0.3225 0.4327 0.1572 0.0223 0.0295 0.0198 156 GLN B N 2651 C CA . GLN B 186 ? 0.3316 0.4493 0.1537 0.0294 0.0297 0.0173 156 GLN B CA 2652 C C . GLN B 186 ? 0.4016 0.5325 0.2216 0.0292 0.0377 0.0251 156 GLN B C 2653 O O . GLN B 186 ? 0.3983 0.5337 0.2268 0.0249 0.0429 0.0295 156 GLN B O 2654 C CB . GLN B 186 ? 0.3497 0.4671 0.1678 0.0359 0.0273 0.0079 156 GLN B CB 2655 C CG . GLN B 186 ? 0.4541 0.5703 0.2585 0.0436 0.0220 0.0006 156 GLN B CG 2656 C CD . GLN B 186 ? 0.5781 0.6955 0.3773 0.0520 0.0208 -0.0083 156 GLN B CD 2657 O OE1 . GLN B 186 ? 0.4374 0.5475 0.2427 0.0513 0.0190 -0.0117 156 GLN B OE1 2658 N NE2 . GLN B 186 ? 0.4833 0.6100 0.2700 0.0610 0.0215 -0.0123 156 GLN B NE2 2659 N N . ILE B 187 ? 0.3742 0.5118 0.1827 0.0332 0.0384 0.0270 157 ILE B N 2660 C CA . ILE B 187 ? 0.3800 0.5316 0.1840 0.0328 0.0460 0.0351 157 ILE B CA 2661 C C . ILE B 187 ? 0.4433 0.6038 0.2319 0.0410 0.0453 0.0322 157 ILE B C 2662 O O . ILE B 187 ? 0.4355 0.5883 0.2171 0.0443 0.0388 0.0279 157 ILE B O 2663 C CB . ILE B 187 ? 0.4146 0.5619 0.2226 0.0245 0.0487 0.0469 157 ILE B CB 2664 C CG1 . ILE B 187 ? 0.4311 0.5924 0.2381 0.0207 0.0570 0.0560 157 ILE B CG1 2665 C CG2 . ILE B 187 ? 0.4092 0.5484 0.2098 0.0254 0.0440 0.0498 157 ILE B CG2 2666 C CD1 . ILE B 187 ? 0.5014 0.6569 0.3186 0.0108 0.0598 0.0645 157 ILE B CD1 2667 N N . LEU B 188 ? 0.4203 0.5988 0.2038 0.0445 0.0519 0.0338 158 LEU B N 2668 C CA . LEU B 188 ? 0.4427 0.6336 0.2108 0.0531 0.0526 0.0312 158 LEU B CA 2669 C C . LEU B 188 ? 0.5287 0.7348 0.2921 0.0491 0.0607 0.0436 158 LEU B C 2670 O O . LEU B 188 ? 0.5119 0.7295 0.2827 0.0438 0.0676 0.0495 158 LEU B O 2671 C CB . LEU B 188 ? 0.4475 0.6485 0.2115 0.0635 0.0525 0.0198 158 LEU B CB 2672 C CG . LEU B 188 ? 0.4999 0.6876 0.2715 0.0657 0.0466 0.0094 158 LEU B CG 2673 C CD1 . LEU B 188 ? 0.5139 0.7135 0.2801 0.0771 0.0475 -0.0003 158 LEU B CD1 2674 C CD2 . LEU B 188 ? 0.5190 0.6858 0.2873 0.0662 0.0364 0.0028 158 LEU B CD2 2675 N N . VAL B 189 ? 0.5261 0.7319 0.2770 0.0507 0.0593 0.0481 159 VAL B N 2676 C CA . VAL B 189 ? 0.5456 0.7634 0.2896 0.0463 0.0660 0.0611 159 VAL B CA 2677 C C . VAL B 189 ? 0.6400 0.8753 0.3671 0.0558 0.0678 0.0584 159 VAL B C 2678 O O . VAL B 189 ? 0.6446 0.8738 0.3605 0.0622 0.0619 0.0539 159 VAL B O 2679 C CB . VAL B 189 ? 0.5958 0.7971 0.3391 0.0390 0.0632 0.0715 159 VAL B CB 2680 C CG1 . VAL B 189 ? 0.6027 0.8134 0.3380 0.0330 0.0697 0.0862 159 VAL B CG1 2681 C CG2 . VAL B 189 ? 0.5781 0.7624 0.3373 0.0313 0.0608 0.0723 159 VAL B CG2 2682 N N . MET B 190 ? 0.6280 0.8870 0.3535 0.0569 0.0761 0.0610 160 MET B N 2683 C CA . MET B 190 ? 0.6544 0.9354 0.3642 0.0663 0.0795 0.0588 160 MET B CA 2684 C C . MET B 190 ? 0.7178 1.0073 0.4172 0.0602 0.0845 0.0740 160 MET B C 2685 O O . MET B 190 ? 0.7055 0.9926 0.4117 0.0479 0.0887 0.0872 160 MET B O 2686 C CB . MET B 190 ? 0.6896 0.9955 0.4032 0.0716 0.0860 0.0534 160 MET B CB 2687 C CG . MET B 190 ? 0.7380 1.0354 0.4584 0.0800 0.0803 0.0375 160 MET B CG 2688 S SD . MET B 190 ? 0.7815 1.0593 0.5240 0.0689 0.0783 0.0389 160 MET B SD 2689 C CE . MET B 190 ? 0.7383 1.0120 0.4829 0.0818 0.0723 0.0204 160 MET B CE 2690 N N . LEU B 191 ? 0.6938 0.9915 0.3754 0.0689 0.0833 0.0722 161 LEU B N 2691 C CA . LEU B 191 ? 0.7064 1.0127 0.3747 0.0648 0.0874 0.0863 161 LEU B CA 2692 C C . LEU B 191 ? 0.7676 1.1042 0.4210 0.0743 0.0933 0.0841 161 LEU B C 2693 O O . LEU B 191 ? 0.7649 1.1042 0.4080 0.0877 0.0886 0.0709 161 LEU B O 2694 C CB . LEU B 191 ? 0.7134 0.9972 0.3728 0.0659 0.0789 0.0880 161 LEU B CB 2695 C CG . LEU B 191 ? 0.7928 1.0834 0.4336 0.0656 0.0808 0.1001 161 LEU B CG 2696 C CD1 . LEU B 191 ? 0.7982 1.0825 0.4417 0.0512 0.0852 0.1189 161 LEU B CD1 2697 C CD2 . LEU B 191 ? 0.8249 1.0995 0.4552 0.0729 0.0710 0.0947 161 LEU B CD2 2698 N N . GLU B 192 ? 0.7367 1.0968 0.3891 0.0669 0.1035 0.0969 162 GLU B N 2699 C CA . GLU B 192 ? 0.7513 1.1451 0.3896 0.0742 0.1108 0.0979 162 GLU B CA 2700 C C . GLU B 192 ? 0.8176 1.2074 0.4357 0.0766 0.1082 0.1047 162 GLU B C 2701 O O . GLU B 192 ? 0.8137 1.1933 0.4290 0.0648 0.1093 0.1209 162 GLU B O 2702 C CB . GLU B 192 ? 0.7700 1.1912 0.4152 0.0630 0.1224 0.1110 162 GLU B CB 2703 C CG . GLU B 192 ? 0.8940 1.3346 0.5534 0.0672 0.1265 0.1010 162 GLU B CG 2704 C CD . GLU B 192 ? 1.1805 1.6539 0.8465 0.0567 0.1381 0.1134 162 GLU B CD 2705 O OE1 . GLU B 192 ? 1.0556 1.5199 0.7359 0.0407 0.1399 0.1240 162 GLU B OE1 2706 O OE2 . GLU B 192 ? 1.1605 1.6700 0.8177 0.0644 0.1452 0.1121 162 GLU B OE2 2707 N N . MET B 193 ? 0.7883 1.1821 0.3921 0.0919 0.1034 0.0918 163 MET B N 2708 C CA . MET B 193 ? 0.8082 1.1979 0.3922 0.0955 0.0999 0.0968 163 MET B CA 2709 C C . MET B 193 ? 0.8990 1.3173 0.4636 0.1096 0.1030 0.0903 163 MET B C 2710 O O . MET B 193 ? 0.8959 1.3267 0.4607 0.1220 0.1026 0.0744 163 MET B O 2711 C CB . MET B 193 ? 0.8295 1.1864 0.4135 0.0989 0.0871 0.0888 163 MET B CB 2712 C CG . MET B 193 ? 0.8552 1.1994 0.4494 0.1071 0.0796 0.0692 163 MET B CG 2713 S SD . MET B 193 ? 0.9146 1.2714 0.4916 0.1273 0.0745 0.0490 163 MET B SD 2714 C CE . MET B 193 ? 0.8799 1.2174 0.4428 0.1306 0.0636 0.0481 163 MET B CE 2715 N N . THR B 194 ? 0.8863 1.3149 0.4335 0.1079 0.1062 0.1028 164 THR B N 2716 C CA . THR B 194 ? 0.9103 1.3647 0.4366 0.1215 0.1084 0.0975 164 THR B CA 2717 C C . THR B 194 ? 0.9713 1.4047 0.4827 0.1270 0.0982 0.0953 164 THR B C 2718 O O . THR B 194 ? 0.9761 1.4017 0.4791 0.1193 0.0981 0.1106 164 THR B O 2719 C CB . THR B 194 ? 1.0643 1.5516 0.5820 0.1144 0.1211 0.1149 164 THR B CB 2720 O OG1 . THR B 194 ? 1.0839 1.5554 0.6047 0.0967 0.1226 0.1356 164 THR B OG1 2721 C CG2 . THR B 194 ? 1.0358 1.5511 0.5672 0.1130 0.1307 0.1125 164 THR B CG2 2722 N N . PRO B 195 ? 0.9222 1.3438 0.4317 0.1408 0.0881 0.0744 165 PRO B N 2723 C CA . PRO B 195 ? 0.9281 1.3282 0.4267 0.1442 0.0772 0.0723 165 PRO B CA 2724 C C . PRO B 195 ? 1.0045 1.4203 0.4768 0.1538 0.0768 0.0740 165 PRO B C 2725 O O . PRO B 195 ? 1.0114 1.4481 0.4711 0.1674 0.0779 0.0622 165 PRO B O 2726 C CB . PRO B 195 ? 0.9394 1.3207 0.4452 0.1529 0.0662 0.0512 165 PRO B CB 2727 C CG . PRO B 195 ? 0.9972 1.3987 0.5028 0.1628 0.0705 0.0389 165 PRO B CG 2728 C CD . PRO B 195 ? 0.9332 1.3545 0.4491 0.1531 0.0836 0.0523 165 PRO B CD 2729 N N . GLN B 196 ? 0.9674 1.3709 0.4316 0.1477 0.0738 0.0874 166 GLN B N 2730 C CA . GLN B 196 ? 0.9874 1.3996 0.4268 0.1555 0.0713 0.0908 166 GLN B CA 2731 C C . GLN B 196 ? 1.0320 1.4267 0.4657 0.1663 0.0572 0.0740 166 GLN B C 2732 O O . GLN B 196 ? 1.0110 1.3906 0.4586 0.1683 0.0506 0.0595 166 GLN B O 2733 C CB . GLN B 196 ? 1.0144 1.4166 0.4489 0.1436 0.0729 0.1129 166 GLN B CB 2734 C CG . GLN B 196 ? 1.2498 1.6748 0.6786 0.1341 0.0862 0.1324 166 GLN B CG 2735 C CD . GLN B 196 ? 1.5290 1.9358 0.9554 0.1205 0.0861 0.1544 166 GLN B CD 2736 O OE1 . GLN B 196 ? 1.4627 1.8447 0.9065 0.1104 0.0831 0.1584 166 GLN B OE1 2737 N NE2 . GLN B 196 ? 1.4470 1.8652 0.8508 0.1205 0.0890 0.1686 166 GLN B NE2 2738 N N . ARG B 197 ? 1.0055 1.4047 0.4175 0.1737 0.0528 0.0757 167 ARG B N 2739 C CA . ARG B 197 ? 1.0061 1.3899 0.4103 0.1830 0.0386 0.0619 167 ARG B CA 2740 C C . ARG B 197 ? 1.0406 1.3946 0.4566 0.1762 0.0280 0.0636 167 ARG B C 2741 O O . ARG B 197 ? 1.0343 1.3747 0.4546 0.1812 0.0168 0.0479 167 ARG B O 2742 C CB . ARG B 197 ? 1.0261 1.4269 0.4018 0.1938 0.0373 0.0631 167 ARG B CB 2743 C CG . ARG B 197 ? 1.1508 1.5382 0.5172 0.2035 0.0222 0.0487 167 ARG B CG 2744 C CD . ARG B 197 ? 1.3189 1.7231 0.6566 0.2142 0.0206 0.0503 167 ARG B CD 2745 N NE . ARG B 197 ? 1.4563 1.8653 0.7818 0.2294 0.0118 0.0279 167 ARG B NE 2746 C CZ . ARG B 197 ? 1.6612 2.0543 0.9831 0.2347 -0.0029 0.0152 167 ARG B CZ 2747 N NH1 . ARG B 197 ? 1.4849 1.8827 0.7941 0.2482 -0.0104 -0.0050 167 ARG B NH1 2748 N NH2 . ARG B 197 ? 1.5338 1.9070 0.8642 0.2269 -0.0106 0.0223 167 ARG B NH2 2749 N N . GLY B 198 ? 0.9860 1.3308 0.4053 0.1656 0.0308 0.0824 168 GLY B N 2750 C CA . GLY B 198 ? 0.9688 1.2879 0.3980 0.1610 0.0208 0.0839 168 GLY B CA 2751 C C . GLY B 198 ? 0.9702 1.2704 0.4260 0.1503 0.0208 0.0842 168 GLY B C 2752 O O . GLY B 198 ? 0.9485 1.2298 0.4138 0.1469 0.0129 0.0847 168 GLY B O 2753 N N . ASP B 199 ? 0.9110 1.2188 0.3783 0.1455 0.0299 0.0838 169 ASP B N 2754 C CA . ASP B 199 ? 0.8887 1.1831 0.3784 0.1334 0.0335 0.0898 169 ASP B CA 2755 C C . ASP B 199 ? 0.9124 1.1867 0.4212 0.1321 0.0244 0.0771 169 ASP B C 2756 O O . ASP B 199 ? 0.9044 1.1794 0.4151 0.1388 0.0189 0.0602 169 ASP B O 2757 C CB . ASP B 199 ? 0.9071 1.2189 0.4029 0.1300 0.0453 0.0913 169 ASP B CB 2758 C CG . ASP B 199 ? 1.0446 1.3713 0.5300 0.1235 0.0560 0.1106 169 ASP B CG 2759 O OD1 . ASP B 199 ? 1.0580 1.3764 0.5335 0.1196 0.0544 0.1248 169 ASP B OD1 2760 O OD2 . ASP B 199 ? 1.1235 1.4705 0.6108 0.1218 0.0658 0.1121 169 ASP B OD2 2761 N N . VAL B 200 ? 0.8507 1.1071 0.3729 0.1231 0.0227 0.0856 170 VAL B N 2762 C CA . VAL B 200 ? 0.8247 1.0640 0.3670 0.1199 0.0157 0.0759 170 VAL B CA 2763 C C . VAL B 200 ? 0.8297 1.0627 0.3906 0.1091 0.0232 0.0826 170 VAL B C 2764 O O . VAL B 200 ? 0.8278 1.0573 0.3886 0.1017 0.0287 0.0983 170 VAL B O 2765 C CB . VAL B 200 ? 0.8815 1.1058 0.4250 0.1209 0.0047 0.0761 170 VAL B CB 2766 C CG1 . VAL B 200 ? 0.8944 1.1248 0.4236 0.1314 -0.0047 0.0646 170 VAL B CG1 2767 C CG2 . VAL B 200 ? 0.8910 1.1076 0.4287 0.1167 0.0064 0.0943 170 VAL B CG2 2768 N N . TYR B 201 ? 0.7504 0.9820 0.3261 0.1081 0.0233 0.0708 171 TYR B N 2769 C CA . TYR B 201 ? 0.7234 0.9503 0.3171 0.0986 0.0299 0.0753 171 TYR B CA 2770 C C . TYR B 201 ? 0.7403 0.9478 0.3519 0.0939 0.0229 0.0705 171 TYR B C 2771 O O . TYR B 201 ? 0.7261 0.9290 0.3415 0.0980 0.0150 0.0572 171 TYR B O 2772 C CB . TYR B 201 ? 0.7306 0.9720 0.3272 0.1011 0.0362 0.0671 171 TYR B CB 2773 C CG . TYR B 201 ? 0.7637 1.0281 0.3450 0.1041 0.0453 0.0743 171 TYR B CG 2774 C CD1 . TYR B 201 ? 0.8058 1.0842 0.3681 0.1155 0.0433 0.0672 171 TYR B CD1 2775 C CD2 . TYR B 201 ? 0.7703 1.0434 0.3556 0.0950 0.0556 0.0884 171 TYR B CD2 2776 C CE1 . TYR B 201 ? 0.8330 1.1353 0.3806 0.1185 0.0521 0.0742 171 TYR B CE1 2777 C CE2 . TYR B 201 ? 0.7959 1.0932 0.3676 0.0966 0.0644 0.0958 171 TYR B CE2 2778 C CZ . TYR B 201 ? 0.9044 1.2171 0.4571 0.1087 0.0630 0.0888 171 TYR B CZ 2779 O OH . TYR B 201 ? 0.9182 1.2576 0.4571 0.1105 0.0722 0.0964 171 TYR B OH 2780 N N . THR B 202 ? 0.6764 0.8728 0.2983 0.0852 0.0254 0.0817 172 THR B N 2781 C CA . THR B 202 ? 0.6529 0.8329 0.2910 0.0812 0.0194 0.0787 172 THR B CA 2782 C C . THR B 202 ? 0.6749 0.8494 0.3305 0.0725 0.0251 0.0807 172 THR B C 2783 O O . THR B 202 ? 0.6812 0.8567 0.3369 0.0662 0.0324 0.0924 172 THR B O 2784 C CB . THR B 202 ? 0.7581 0.9275 0.3905 0.0812 0.0147 0.0887 172 THR B CB 2785 O OG1 . THR B 202 ? 0.7811 0.9554 0.3998 0.0898 0.0074 0.0837 172 THR B OG1 2786 C CG2 . THR B 202 ? 0.7308 0.8850 0.3798 0.0771 0.0098 0.0879 172 THR B CG2 2787 N N . CYS B 203 ? 0.5903 0.7594 0.2610 0.0712 0.0217 0.0697 173 CYS B N 2788 C CA . CYS B 203 ? 0.5656 0.7288 0.2538 0.0634 0.0260 0.0703 173 CYS B CA 2789 C C . CYS B 203 ? 0.5679 0.7163 0.2654 0.0603 0.0202 0.0727 173 CYS B C 2790 O O . CYS B 203 ? 0.5533 0.6986 0.2533 0.0634 0.0128 0.0648 173 CYS B O 2791 C CB . CYS B 203 ? 0.5634 0.7285 0.2610 0.0647 0.0248 0.0566 173 CYS B CB 2792 S SG . CYS B 203 ? 0.5977 0.7601 0.3146 0.0577 0.0301 0.0539 173 CYS B SG 2793 N N . HIS B 204 ? 0.4924 0.6323 0.1943 0.0544 0.0234 0.0835 174 HIS B N 2794 C CA A HIS B 204 ? 0.4749 0.6010 0.1861 0.0523 0.0185 0.0856 174 HIS B CA 2795 C CA B HIS B 204 ? 0.4707 0.5974 0.1825 0.0522 0.0187 0.0846 174 HIS B CA 2796 C C . HIS B 204 ? 0.4912 0.6088 0.2218 0.0450 0.0205 0.0839 174 HIS B C 2797 O O . HIS B 204 ? 0.4864 0.6043 0.2206 0.0392 0.0272 0.0889 174 HIS B O 2798 C CB A HIS B 204 ? 0.5003 0.6194 0.2000 0.0516 0.0195 0.0995 174 HIS B CB 2799 C CB B HIS B 204 ? 0.4925 0.6098 0.1952 0.0517 0.0182 0.0979 174 HIS B CB 2800 C CG A HIS B 204 ? 0.5432 0.6484 0.2451 0.0535 0.0129 0.1027 174 HIS B CG 2801 C CG B HIS B 204 ? 0.5532 0.6755 0.2369 0.0578 0.0163 0.1028 174 HIS B CG 2802 N ND1 A HIS B 204 ? 0.5754 0.6803 0.2671 0.0611 0.0058 0.1029 174 HIS B ND1 2803 N ND1 B HIS B 204 ? 0.5800 0.7020 0.2576 0.0652 0.0081 0.0991 174 HIS B ND1 2804 C CD2 A HIS B 204 ? 0.5529 0.6446 0.2644 0.0497 0.0121 0.1063 174 HIS B CD2 2805 C CD2 B HIS B 204 ? 0.5922 0.7193 0.2613 0.0567 0.0216 0.1130 174 HIS B CD2 2806 C CE1 A HIS B 204 ? 0.5641 0.6567 0.2598 0.0626 0.0010 0.1061 174 HIS B CE1 2807 C CE1 B HIS B 204 ? 0.5919 0.7177 0.2514 0.0694 0.0081 0.1060 174 HIS B CE1 2808 N NE2 A HIS B 204 ? 0.5573 0.6412 0.2645 0.0559 0.0046 0.1080 174 HIS B NE2 2809 N NE2 B HIS B 204 ? 0.6043 0.7333 0.2581 0.0642 0.0163 0.1148 174 HIS B NE2 2810 N N . VAL B 205 ? 0.4105 0.5251 0.1517 0.0458 0.0150 0.0754 175 VAL B N 2811 C CA . VAL B 205 ? 0.3776 0.4881 0.1348 0.0404 0.0166 0.0715 175 VAL B CA 2812 C C . VAL B 205 ? 0.4224 0.5237 0.1889 0.0396 0.0122 0.0723 175 VAL B C 2813 O O . VAL B 205 ? 0.4175 0.5202 0.1845 0.0435 0.0058 0.0681 175 VAL B O 2814 C CB . VAL B 205 ? 0.4060 0.5228 0.1685 0.0411 0.0148 0.0596 175 VAL B CB 2815 C CG1 . VAL B 205 ? 0.3836 0.4958 0.1619 0.0357 0.0158 0.0558 175 VAL B CG1 2816 C CG2 . VAL B 205 ? 0.4082 0.5344 0.1619 0.0432 0.0196 0.0580 175 VAL B CG2 2817 N N . GLU B 206 ? 0.3827 0.4757 0.1566 0.0346 0.0157 0.0773 176 GLU B N 2818 C CA . GLU B 206 ? 0.3762 0.4603 0.1591 0.0343 0.0122 0.0776 176 GLU B CA 2819 C C . GLU B 206 ? 0.3863 0.4702 0.1844 0.0289 0.0145 0.0722 176 GLU B C 2820 O O . GLU B 206 ? 0.3662 0.4515 0.1671 0.0241 0.0202 0.0729 176 GLU B O 2821 C CB . GLU B 206 ? 0.4117 0.4827 0.1880 0.0339 0.0127 0.0884 176 GLU B CB 2822 C CG . GLU B 206 ? 0.6110 0.6797 0.3729 0.0408 0.0082 0.0935 176 GLU B CG 2823 C CD . GLU B 206 ? 1.0269 1.0805 0.7779 0.0401 0.0084 0.1057 176 GLU B CD 2824 O OE1 . GLU B 206 ? 0.9968 1.0391 0.7527 0.0343 0.0109 0.1099 176 GLU B OE1 2825 O OE2 . GLU B 206 ? 1.0658 1.1177 0.8026 0.0452 0.0054 0.1110 176 GLU B OE2 2826 N N . HIS B 207 ? 0.3293 0.4133 0.1369 0.0300 0.0100 0.0668 177 HIS B N 2827 C CA . HIS B 207 ? 0.3042 0.3889 0.1256 0.0255 0.0110 0.0613 177 HIS B CA 2828 C C . HIS B 207 ? 0.3669 0.4503 0.1960 0.0278 0.0065 0.0597 177 HIS B C 2829 O O . HIS B 207 ? 0.3729 0.4603 0.1985 0.0333 0.0013 0.0590 177 HIS B O 2830 C CB . HIS B 207 ? 0.2995 0.3929 0.1235 0.0242 0.0099 0.0530 177 HIS B CB 2831 C CG . HIS B 207 ? 0.3206 0.4141 0.1569 0.0191 0.0111 0.0481 177 HIS B CG 2832 N ND1 . HIS B 207 ? 0.3303 0.4269 0.1756 0.0180 0.0068 0.0436 177 HIS B ND1 2833 C CD2 . HIS B 207 ? 0.3259 0.4175 0.1662 0.0151 0.0159 0.0476 177 HIS B CD2 2834 C CE1 . HIS B 207 ? 0.3056 0.4007 0.1591 0.0131 0.0092 0.0408 177 HIS B CE1 2835 N NE2 . HIS B 207 ? 0.3089 0.4007 0.1599 0.0117 0.0144 0.0427 177 HIS B NE2 2836 N N . PRO B 208 ? 0.3204 0.4002 0.1601 0.0243 0.0082 0.0585 178 PRO B N 2837 C CA . PRO B 208 ? 0.3153 0.3962 0.1617 0.0277 0.0042 0.0564 178 PRO B CA 2838 C C . PRO B 208 ? 0.3723 0.4670 0.2231 0.0298 -0.0010 0.0503 178 PRO B C 2839 O O . PRO B 208 ? 0.3741 0.4732 0.2268 0.0352 -0.0051 0.0497 178 PRO B O 2840 C CB . PRO B 208 ? 0.3230 0.4006 0.1798 0.0225 0.0075 0.0547 178 PRO B CB 2841 C CG . PRO B 208 ? 0.3769 0.4464 0.2298 0.0180 0.0128 0.0593 178 PRO B CG 2842 C CD . PRO B 208 ? 0.3267 0.4021 0.1720 0.0180 0.0137 0.0591 178 PRO B CD 2843 N N . SER B 209 ? 0.3259 0.4279 0.1781 0.0256 -0.0012 0.0456 179 SER B N 2844 C CA . SER B 209 ? 0.3156 0.4302 0.1720 0.0252 -0.0067 0.0400 179 SER B CA 2845 C C . SER B 209 ? 0.3692 0.4898 0.2172 0.0314 -0.0118 0.0405 179 SER B C 2846 O O . SER B 209 ? 0.3733 0.5062 0.2253 0.0312 -0.0171 0.0362 179 SER B O 2847 C CB . SER B 209 ? 0.3492 0.4653 0.2071 0.0188 -0.0065 0.0351 179 SER B CB 2848 O OG . SER B 209 ? 0.4412 0.5538 0.2879 0.0206 -0.0059 0.0353 179 SER B OG 2849 N N . LEU B 210 ? 0.3211 0.4339 0.1574 0.0363 -0.0105 0.0460 180 LEU B N 2850 C CA . LEU B 210 ? 0.3316 0.4490 0.1579 0.0427 -0.0153 0.0470 180 LEU B CA 2851 C C . LEU B 210 ? 0.4143 0.5278 0.2364 0.0508 -0.0178 0.0521 180 LEU B C 2852 O O . LEU B 210 ? 0.4183 0.5190 0.2384 0.0516 -0.0146 0.0575 180 LEU B O 2853 C CB . LEU B 210 ? 0.3381 0.4507 0.1513 0.0430 -0.0128 0.0495 180 LEU B CB 2854 C CG . LEU B 210 ? 0.3853 0.4994 0.1989 0.0375 -0.0105 0.0444 180 LEU B CG 2855 C CD1 . LEU B 210 ? 0.3948 0.5042 0.1960 0.0388 -0.0057 0.0486 180 LEU B CD1 2856 C CD2 . LEU B 210 ? 0.3991 0.5231 0.2136 0.0368 -0.0171 0.0367 180 LEU B CD2 2857 N N . GLN B 211 ? 0.3878 0.5118 0.2075 0.0569 -0.0242 0.0502 181 GLN B N 2858 C CA . GLN B 211 ? 0.3998 0.5214 0.2138 0.0667 -0.0283 0.0542 181 GLN B CA 2859 C C . GLN B 211 ? 0.4893 0.6001 0.2858 0.0707 -0.0281 0.0612 181 GLN B C 2860 O O . GLN B 211 ? 0.4997 0.5973 0.2879 0.0763 -0.0287 0.0680 181 GLN B O 2861 C CB . GLN B 211 ? 0.4105 0.5518 0.2306 0.0714 -0.0355 0.0486 181 GLN B CB 2862 C CG . GLN B 211 ? 0.5542 0.6970 0.3745 0.0824 -0.0400 0.0502 181 GLN B CG 2863 C CD . GLN B 211 ? 0.7046 0.8411 0.5334 0.0826 -0.0371 0.0502 181 GLN B CD 2864 O OE1 . GLN B 211 ? 0.5663 0.7065 0.4063 0.0743 -0.0331 0.0468 181 GLN B OE1 2865 N NE2 . GLN B 211 ? 0.6352 0.7607 0.4577 0.0927 -0.0397 0.0538 181 GLN B NE2 2866 N N . ASN B 212 ? 0.4624 0.5781 0.2525 0.0677 -0.0274 0.0595 182 ASN B N 2867 C CA . ASN B 212 ? 0.4840 0.5938 0.2573 0.0706 -0.0267 0.0654 182 ASN B CA 2868 C C . ASN B 212 ? 0.5339 0.6421 0.3044 0.0635 -0.0203 0.0649 182 ASN B C 2869 O O . ASN B 212 ? 0.5131 0.6276 0.2934 0.0579 -0.0194 0.0576 182 ASN B O 2870 C CB . ASN B 212 ? 0.5038 0.6256 0.2700 0.0774 -0.0341 0.0625 182 ASN B CB 2871 C CG . ASN B 212 ? 0.7360 0.8627 0.5052 0.0858 -0.0409 0.0624 182 ASN B CG 2872 O OD1 . ASN B 212 ? 0.6545 0.7700 0.4146 0.0929 -0.0424 0.0694 182 ASN B OD1 2873 N ND2 . ASN B 212 ? 0.6021 0.7456 0.3840 0.0851 -0.0453 0.0544 182 ASN B ND2 2874 N N . PRO B 213 ? 0.5016 0.6025 0.2586 0.0637 -0.0161 0.0723 183 PRO B N 2875 C CA . PRO B 213 ? 0.4935 0.5964 0.2486 0.0581 -0.0098 0.0711 183 PRO B CA 2876 C C . PRO B 213 ? 0.5534 0.6681 0.3043 0.0596 -0.0129 0.0629 183 PRO B C 2877 O O . PRO B 213 ? 0.5582 0.6787 0.3014 0.0654 -0.0190 0.0614 183 PRO B O 2878 C CB . PRO B 213 ? 0.5264 0.6215 0.2675 0.0582 -0.0051 0.0822 183 PRO B CB 2879 C CG . PRO B 213 ? 0.5904 0.6738 0.3281 0.0622 -0.0087 0.0896 183 PRO B CG 2880 C CD . PRO B 213 ? 0.5348 0.6256 0.2775 0.0686 -0.0167 0.0827 183 PRO B CD 2881 N N . ILE B 214 ? 0.4983 0.6156 0.2536 0.0549 -0.0093 0.0571 184 ILE B N 2882 C CA . ILE B 214 ? 0.4991 0.6242 0.2488 0.0565 -0.0124 0.0487 184 ILE B CA 2883 C C . ILE B 214 ? 0.5733 0.7012 0.3060 0.0607 -0.0088 0.0533 184 ILE B C 2884 O O . ILE B 214 ? 0.5637 0.6896 0.2942 0.0582 -0.0011 0.0590 184 ILE B O 2885 C CB . ILE B 214 ? 0.5222 0.6471 0.2820 0.0511 -0.0113 0.0402 184 ILE B CB 2886 C CG1 . ILE B 214 ? 0.5135 0.6385 0.2884 0.0468 -0.0163 0.0355 184 ILE B CG1 2887 C CG2 . ILE B 214 ? 0.5362 0.6657 0.2862 0.0539 -0.0142 0.0319 184 ILE B CG2 2888 C CD1 . ILE B 214 ? 0.5927 0.7147 0.3785 0.0403 -0.0150 0.0292 184 ILE B CD1 2889 N N . ILE B 215 ? 0.5567 0.6905 0.2772 0.0668 -0.0143 0.0511 185 ILE B N 2890 C CA . ILE B 215 ? 0.5756 0.7142 0.2782 0.0716 -0.0116 0.0550 185 ILE B CA 2891 C C . ILE B 215 ? 0.6330 0.7790 0.3296 0.0745 -0.0148 0.0436 185 ILE B C 2892 O O . ILE B 215 ? 0.6357 0.7841 0.3324 0.0765 -0.0233 0.0356 185 ILE B O 2893 C CB . ILE B 215 ? 0.6299 0.7683 0.3205 0.0774 -0.0154 0.0628 185 ILE B CB 2894 C CG1 . ILE B 215 ? 0.6369 0.7645 0.3298 0.0749 -0.0117 0.0751 185 ILE B CG1 2895 C CG2 . ILE B 215 ? 0.6591 0.8050 0.3298 0.0830 -0.0141 0.0649 185 ILE B CG2 2896 C CD1 . ILE B 215 ? 0.7264 0.8496 0.4157 0.0805 -0.0186 0.0796 185 ILE B CD1 2897 N N . VAL B 216 ? 0.5866 0.7360 0.2782 0.0747 -0.0083 0.0424 186 VAL B N 2898 C CA . VAL B 216 ? 0.5940 0.7489 0.2775 0.0792 -0.0109 0.0312 186 VAL B CA 2899 C C . VAL B 216 ? 0.6731 0.8380 0.3382 0.0854 -0.0057 0.0359 186 VAL B C 2900 O O . VAL B 216 ? 0.6604 0.8284 0.3245 0.0830 0.0032 0.0458 186 VAL B O 2901 C CB . VAL B 216 ? 0.6288 0.7799 0.3232 0.0754 -0.0087 0.0234 186 VAL B CB 2902 C CG1 . VAL B 216 ? 0.6361 0.7907 0.3198 0.0817 -0.0121 0.0115 186 VAL B CG1 2903 C CG2 . VAL B 216 ? 0.6101 0.7525 0.3214 0.0688 -0.0140 0.0196 186 VAL B CG2 2904 N N . GLU B 217 ? 0.6680 0.8389 0.3185 0.0927 -0.0116 0.0294 187 GLU B N 2905 C CA . GLU B 217 ? 0.6951 0.8775 0.3268 0.0994 -0.0070 0.0336 187 GLU B CA 2906 C C . GLU B 217 ? 0.7847 0.9746 0.4065 0.1064 -0.0078 0.0212 187 GLU B C 2907 O O . GLU B 217 ? 0.7820 0.9655 0.4084 0.1070 -0.0149 0.0084 187 GLU B O 2908 C CB . GLU B 217 ? 0.7274 0.9122 0.3456 0.1040 -0.0120 0.0393 187 GLU B CB 2909 C CG . GLU B 217 ? 0.8768 1.0599 0.4929 0.1077 -0.0242 0.0290 187 GLU B CG 2910 C CD . GLU B 217 ? 1.1668 1.3531 0.7707 0.1125 -0.0288 0.0358 187 GLU B CD 2911 O OE1 . GLU B 217 ? 1.0767 1.2567 0.6886 0.1094 -0.0305 0.0436 187 GLU B OE1 2912 O OE2 . GLU B 217 ? 1.1227 1.3176 0.7083 0.1201 -0.0310 0.0334 187 GLU B OE2 2913 N N . TRP B 218 ? 0.7702 0.9738 0.3781 0.1114 -0.0002 0.0256 188 TRP B N 2914 C CA . TRP B 218 ? 0.7895 1.0042 0.3852 0.1203 0.0010 0.0154 188 TRP B CA 2915 C C . TRP B 218 ? 0.8760 1.1058 0.4502 0.1277 0.0035 0.0209 188 TRP B C 2916 O O . TRP B 218 ? 0.8733 1.1120 0.4440 0.1246 0.0126 0.0351 188 TRP B O 2917 C CB . TRP B 218 ? 0.7667 0.9875 0.3709 0.1183 0.0105 0.0159 188 TRP B CB 2918 C CG . TRP B 218 ? 0.7940 1.0257 0.3874 0.1288 0.0112 0.0036 188 TRP B CG 2919 C CD1 . TRP B 218 ? 0.8300 1.0530 0.4269 0.1328 0.0051 -0.0115 188 TRP B CD1 2920 C CD2 . TRP B 218 ? 0.8091 1.0625 0.3856 0.1373 0.0180 0.0053 188 TRP B CD2 2921 N NE1 . TRP B 218 ? 0.8376 1.0744 0.4203 0.1445 0.0071 -0.0202 188 TRP B NE1 2922 C CE2 . TRP B 218 ? 0.8660 1.1233 0.4364 0.1476 0.0154 -0.0103 188 TRP B CE2 2923 C CE3 . TRP B 218 ? 0.8372 1.1070 0.4022 0.1371 0.0259 0.0190 188 TRP B CE3 2924 C CZ2 . TRP B 218 ? 0.8765 1.1560 0.4304 0.1589 0.0208 -0.0136 188 TRP B CZ2 2925 C CZ3 . TRP B 218 ? 0.8742 1.1667 0.4228 0.1469 0.0314 0.0166 188 TRP B CZ3 2926 C CH2 . TRP B 218 ? 0.8890 1.1874 0.4325 0.1582 0.0291 0.0001 188 TRP B CH2 2927 N N . ARG B 219 ? 0.8606 1.0925 0.4199 0.1367 -0.0049 0.0104 189 ARG B N 2928 C CA . ARG B 219 ? 0.8861 1.1328 0.4235 0.1447 -0.0034 0.0146 189 ARG B CA 2929 C C . ARG B 219 ? 0.9602 1.2249 0.4851 0.1535 0.0034 0.0091 189 ARG B C 2930 O O . ARG B 219 ? 0.9478 1.2103 0.4773 0.1571 0.0019 -0.0039 189 ARG B O 2931 C CB . ARG B 219 ? 0.9069 1.1486 0.4334 0.1506 -0.0162 0.0059 189 ARG B CB 2932 C CG . ARG B 219 ? 1.0486 1.2838 0.5774 0.1458 -0.0200 0.0171 189 ARG B CG 2933 C CD . ARG B 219 ? 1.2148 1.4423 0.7426 0.1483 -0.0342 0.0062 189 ARG B CD 2934 N NE . ARG B 219 ? 1.3336 1.5477 0.8818 0.1392 -0.0389 0.0078 189 ARG B NE 2935 C CZ . ARG B 219 ? 1.5020 1.7060 1.0671 0.1333 -0.0417 -0.0007 189 ARG B CZ 2936 N NH1 . ARG B 219 ? 1.3523 1.5556 0.9162 0.1358 -0.0409 -0.0117 189 ARG B NH1 2937 N NH2 . ARG B 219 ? 1.3102 1.5051 0.8929 0.1253 -0.0455 0.0017 189 ARG B NH2 2938 N N . ALA B 220 ? 0.9457 1.2283 0.4551 0.1569 0.0108 0.0193 190 ALA B N 2939 C CA . ALA B 220 ? 0.9607 1.2655 0.4571 0.1661 0.0181 0.0151 190 ALA B CA 2940 C C . ALA B 220 ? 1.0385 1.3459 0.5188 0.1802 0.0092 -0.0036 190 ALA B C 2941 O O . ALA B 220 ? 1.0418 1.3453 0.5095 0.1849 0.0004 -0.0072 190 ALA B O 2942 C CB . ALA B 220 ? 0.9821 1.3066 0.4654 0.1648 0.0283 0.0322 190 ALA B CB 2943 N N . GLN B 221 ? 1.0077 1.3213 0.4888 0.1872 0.0111 -0.0158 191 GLN B N 2944 C CA . GLN B 221 ? 1.0278 1.3405 0.4950 0.2014 0.0023 -0.0361 191 GLN B CA 2945 C C . GLN B 221 ? 1.1089 1.4430 0.5498 0.2139 0.0035 -0.0374 191 GLN B C 2946 O O . GLN B 221 ? 1.1123 1.4689 0.5465 0.2131 0.0151 -0.0235 191 GLN B O 2947 C CB . GLN B 221 ? 1.0418 1.3577 0.5159 0.2067 0.0057 -0.0467 191 GLN B CB 2948 C CG . GLN B 221 ? 1.2188 1.5136 0.7174 0.1955 0.0040 -0.0469 191 GLN B CG 2949 C CD . GLN B 221 ? 1.4587 1.7619 0.9644 0.1999 0.0105 -0.0524 191 GLN B CD 2950 O OE1 . GLN B 221 ? 1.4071 1.6973 0.9129 0.2068 0.0028 -0.0684 191 GLN B OE1 2951 N NE2 . GLN B 221 ? 1.3534 1.6783 0.8651 0.1957 0.0244 -0.0392 191 GLN B NE2 2952 N N . SER B 222 ? 1.0808 1.4077 0.5063 0.2250 -0.0089 -0.0542 192 SER B N 2953 C CA . SER B 222 ? 1.4356 1.7797 0.8342 0.2389 -0.0108 -0.0595 192 SER B CA 2954 C C . SER B 222 ? 1.8201 2.1729 1.2101 0.2339 -0.0079 -0.0424 192 SER B C 2955 O O . SER B 222 ? 1.3287 1.7010 0.7161 0.2304 0.0048 -0.0259 192 SER B O 2956 C CB . SER B 222 ? 1.4895 1.8609 0.8765 0.2514 -0.0007 -0.0638 192 SER B CB 2957 O OG . SER B 222 ? 1.6258 2.0156 0.9860 0.2655 -0.0022 -0.0692 192 SER B OG 2958 N N . ASP C 2 ? 0.5738 0.6200 0.8742 -0.1423 0.0355 0.1285 0 ASP C N 2959 C CA . ASP C 2 ? 0.5629 0.6105 0.8504 -0.1313 0.0384 0.1202 0 ASP C CA 2960 C C . ASP C 2 ? 0.5918 0.6157 0.8749 -0.1279 0.0346 0.1231 0 ASP C C 2961 O O . ASP C 2 ? 0.5975 0.6140 0.8849 -0.1336 0.0320 0.1367 0 ASP C O 2962 C CB . ASP C 2 ? 0.5906 0.6696 0.8727 -0.1295 0.0448 0.1250 0 ASP C CB 2963 C CG . ASP C 2 ? 0.7537 0.8443 1.0277 -0.1199 0.0483 0.1097 0 ASP C CG 2964 O OD1 . ASP C 2 ? 0.7576 0.8576 1.0358 -0.1193 0.0498 0.1022 0 ASP C OD1 2965 O OD2 . ASP C 2 ? 0.8503 0.9404 1.1147 -0.1130 0.0489 0.1054 0 ASP C OD2 2966 N N . ILE C 3 ? 0.5156 0.5283 0.7910 -0.1186 0.0343 0.1110 1 ILE C N 2967 C CA . ILE C 3 ? 0.5017 0.4939 0.7737 -0.1137 0.0311 0.1117 1 ILE C CA 2968 C C . ILE C 3 ? 0.5263 0.5321 0.7918 -0.1101 0.0332 0.1186 1 ILE C C 2969 O O . ILE C 3 ? 0.5163 0.5412 0.7756 -0.1064 0.0370 0.1132 1 ILE C O 2970 C CB . ILE C 3 ? 0.5257 0.5019 0.7941 -0.1059 0.0299 0.0970 1 ILE C CB 2971 C CG1 . ILE C 3 ? 0.5247 0.4889 0.7980 -0.1090 0.0270 0.0903 1 ILE C CG1 2972 C CG2 . ILE C 3 ? 0.5432 0.5009 0.8093 -0.1001 0.0271 0.0979 1 ILE C CG2 2973 C CD1 . ILE C 3 ? 0.5774 0.5386 0.8462 -0.1026 0.0280 0.0765 1 ILE C CD1 2974 N N . VAL C 4 ? 0.4604 0.4554 0.7275 -0.1111 0.0300 0.1304 2 VAL C N 2975 C CA . VAL C 4 ? 0.4427 0.4478 0.7042 -0.1077 0.0304 0.1390 2 VAL C CA 2976 C C . VAL C 4 ? 0.4394 0.4276 0.6986 -0.0988 0.0275 0.1327 2 VAL C C 2977 O O . VAL C 4 ? 0.4535 0.4178 0.7174 -0.0974 0.0237 0.1325 2 VAL C O 2978 C CB . VAL C 4 ? 0.5089 0.5174 0.7744 -0.1148 0.0290 0.1591 2 VAL C CB 2979 C CG1 . VAL C 4 ? 0.5225 0.5035 0.7982 -0.1202 0.0236 0.1654 2 VAL C CG1 2980 C CG2 . VAL C 4 ? 0.5115 0.5283 0.7706 -0.1099 0.0282 0.1684 2 VAL C CG2 2981 N N . ALA C 5 ? 0.3285 0.3302 0.5811 -0.0927 0.0293 0.1265 3 ALA C N 2982 C CA . ALA C 5 ? 0.3018 0.2941 0.5533 -0.0846 0.0273 0.1208 3 ALA C CA 2983 C C . ALA C 5 ? 0.3067 0.3193 0.5523 -0.0811 0.0277 0.1219 3 ALA C C 2984 O O . ALA C 5 ? 0.3047 0.3379 0.5451 -0.0836 0.0302 0.1214 3 ALA C O 2985 C CB . ALA C 5 ? 0.2975 0.2810 0.5495 -0.0812 0.0287 0.1055 3 ALA C CB 2986 N N . ASP C 6 ? 0.2285 0.2366 0.4748 -0.0747 0.0250 0.1224 4 ASP C N 2987 C CA . ASP C 6 ? 0.2080 0.2351 0.4497 -0.0711 0.0240 0.1220 4 ASP C CA 2988 C C . ASP C 6 ? 0.2223 0.2588 0.4616 -0.0702 0.0261 0.1068 4 ASP C C 2989 O O . ASP C 6 ? 0.2246 0.2806 0.4580 -0.0705 0.0260 0.1040 4 ASP C O 2990 C CB . ASP C 6 ? 0.2323 0.2525 0.4779 -0.0644 0.0202 0.1263 4 ASP C CB 2991 C CG . ASP C 6 ? 0.3668 0.3779 0.6149 -0.0639 0.0169 0.1424 4 ASP C CG 2992 O OD1 . ASP C 6 ? 0.3796 0.3899 0.6266 -0.0703 0.0176 0.1516 4 ASP C OD1 2993 O OD2 . ASP C 6 ? 0.4250 0.4303 0.6769 -0.0572 0.0135 0.1464 4 ASP C OD2 2994 N N . HIS C 7 ? 0.1432 0.1654 0.3866 -0.0689 0.0275 0.0971 5 HIS C N 2995 C CA . HIS C 7 ? 0.1208 0.1478 0.3636 -0.0683 0.0291 0.0839 5 HIS C CA 2996 C C . HIS C 7 ? 0.1625 0.1778 0.4069 -0.0702 0.0319 0.0772 5 HIS C C 2997 O O . HIS C 7 ? 0.1688 0.1679 0.4163 -0.0699 0.0318 0.0795 5 HIS C O 2998 C CB . HIS C 7 ? 0.1218 0.1473 0.3691 -0.0636 0.0274 0.0797 5 HIS C CB 2999 C CG . HIS C 7 ? 0.1655 0.2045 0.4123 -0.0613 0.0238 0.0856 5 HIS C CG 3000 N ND1 . HIS C 7 ? 0.1873 0.2455 0.4283 -0.0630 0.0220 0.0836 5 HIS C ND1 3001 C CD2 . HIS C 7 ? 0.1904 0.2268 0.4414 -0.0569 0.0212 0.0933 5 HIS C CD2 3002 C CE1 . HIS C 7 ? 0.1843 0.2517 0.4259 -0.0601 0.0181 0.0902 5 HIS C CE1 3003 N NE2 . HIS C 7 ? 0.1920 0.2469 0.4402 -0.0562 0.0175 0.0967 5 HIS C NE2 3004 N N . VAL C 8 ? 0.1076 0.1299 0.3429 -0.0649 0.0314 0.0664 6 VAL C N 3005 C CA . VAL C 8 ? 0.1039 0.1176 0.3342 -0.0592 0.0317 0.0576 6 VAL C CA 3006 C C . VAL C 8 ? 0.1136 0.1281 0.3578 -0.0704 0.0361 0.0511 6 VAL C C 3007 O O . VAL C 8 ? 0.1058 0.1319 0.3470 -0.0693 0.0349 0.0460 6 VAL C O 3008 C CB . VAL C 8 ? 0.1450 0.1693 0.3861 -0.0765 0.0378 0.0624 6 VAL C CB 3009 C CG1 . VAL C 8 ? 0.1373 0.1524 0.3809 -0.0771 0.0392 0.0559 6 VAL C CG1 3010 C CG2 . VAL C 8 ? 0.1532 0.1796 0.3947 -0.0805 0.0374 0.0751 6 VAL C CG2 3011 N N . ALA C 9 ? 0.0770 0.0788 0.2902 -0.0314 0.0274 0.0381 7 ALA C N 3012 C CA . ALA C 9 ? 0.0655 0.0655 0.2719 -0.0209 0.0264 0.0291 7 ALA C CA 3013 C C . ALA C 9 ? 0.0721 0.0674 0.2847 -0.0253 0.0300 0.0260 7 ALA C C 3014 O O . ALA C 9 ? 0.0748 0.0668 0.2893 -0.0257 0.0306 0.0280 7 ALA C O 3015 C CB . ALA C 9 ? 0.0692 0.0680 0.2862 -0.0235 0.0273 0.0321 7 ALA C CB 3016 N N . SER C 10 ? 0.0412 0.0390 0.2187 0.0018 0.0239 0.0136 8 SER C N 3017 C CA . SER C 10 ? 0.0414 0.0386 0.2087 0.0014 0.0241 0.0098 8 SER C CA 3018 C C . SER C 10 ? 0.0524 0.0462 0.2593 -0.0071 0.0306 0.0122 8 SER C C 3019 O O . SER C 10 ? 0.0504 0.0449 0.2574 -0.0062 0.0295 0.0093 8 SER C O 3020 C CB . SER C 10 ? 0.0504 0.0457 0.2456 -0.0065 0.0296 0.0085 8 SER C CB 3021 O OG . SER C 10 ? 0.1104 0.1065 0.3550 -0.0645 0.0401 0.0216 8 SER C OG 3022 N N . TYR C 11 ? 0.0417 0.0386 0.2070 0.0015 0.0249 0.0101 9 TYR C N 3023 C CA . TYR C 11 ? 0.0417 0.0386 0.2025 0.0015 0.0247 0.0101 9 TYR C CA 3024 C C . TYR C 11 ? 0.0432 0.0387 0.2464 0.0019 0.0330 0.0121 9 TYR C C 3025 O O . TYR C 11 ? 0.0430 0.0388 0.2190 0.0020 0.0300 0.0120 9 TYR C O 3026 C CB . TYR C 11 ? 0.0421 0.0391 0.2208 0.0021 0.0275 0.0142 9 TYR C CB 3027 C CG . TYR C 11 ? 0.0420 0.0396 0.2433 0.0026 0.0288 0.0182 9 TYR C CG 3028 C CD1 . TYR C 11 ? 0.0518 0.0478 0.2705 -0.0064 0.0295 0.0203 9 TYR C CD1 3029 C CD2 . TYR C 11 ? 0.0421 0.0402 0.2464 0.0030 0.0291 0.0215 9 TYR C CD2 3030 C CE1 . TYR C 11 ? 0.0546 0.0523 0.2751 -0.0098 0.0276 0.0239 9 TYR C CE1 3031 C CE2 . TYR C 11 ? 0.0428 0.0420 0.2589 0.0023 0.0283 0.0262 9 TYR C CE2 3032 C CZ . TYR C 11 ? 0.1108 0.1015 0.3763 -0.0586 0.0392 0.0406 9 TYR C CZ 3033 O OH . TYR C 11 ? 0.1310 0.1300 0.3997 -0.0597 0.0372 0.0447 9 TYR C OH 3034 N N . GLY C 12 A 0.0427 0.0384 0.2296 0.0014 0.0300 0.0089 9 GLY C N 3035 C CA . GLY C 12 A 0.0426 0.0382 0.2396 0.0009 0.0304 0.0063 9 GLY C CA 3036 C C . GLY C 12 A 0.0878 0.0640 0.3216 -0.0326 0.0372 0.0100 9 GLY C C 3037 O O . GLY C 12 A 0.0901 0.0645 0.3225 -0.0335 0.0379 0.0116 9 GLY C O 3038 N N . VAL C 13 ? 0.0691 0.0540 0.2948 -0.0201 0.0344 0.0032 10 VAL C N 3039 C CA . VAL C 13 ? 0.0691 0.0545 0.2959 -0.0209 0.0347 -0.0004 10 VAL C CA 3040 C C . VAL C 13 ? 0.1020 0.0681 0.3511 -0.0422 0.0363 0.0017 10 VAL C C 3041 O O . VAL C 13 ? 0.0942 0.0615 0.3428 -0.0352 0.0342 -0.0008 10 VAL C O 3042 C CB . VAL C 13 ? 0.0969 0.0786 0.3437 -0.0474 0.0364 -0.0030 10 VAL C CB 3043 C CG1 . VAL C 13 ? 0.0945 0.0804 0.3450 -0.0478 0.0369 -0.0077 10 VAL C CG1 3044 C CG2 . VAL C 13 ? 0.0914 0.0825 0.3306 -0.0466 0.0368 0.0001 10 VAL C CG2 3045 N N . ASN C 14 ? 0.0710 0.0514 0.3047 -0.0194 0.0347 0.0007 11 ASN C N 3046 C CA . ASN C 14 ? 0.0662 0.0470 0.3028 -0.0145 0.0337 0.0012 11 ASN C CA 3047 C C . ASN C 14 ? 0.1009 0.0601 0.3542 -0.0362 0.0344 -0.0001 11 ASN C C 3048 O O . ASN C 14 ? 0.1176 0.0772 0.3742 -0.0443 0.0355 0.0009 11 ASN C O 3049 C CB . ASN C 14 ? 0.0764 0.0500 0.3129 -0.0191 0.0348 0.0073 11 ASN C CB 3050 C CG . ASN C 14 ? 0.1757 0.1142 0.4277 -0.0512 0.0402 0.0175 11 ASN C CG 3051 O OD1 . ASN C 14 ? 0.1818 0.1148 0.4337 -0.0505 0.0412 0.0224 11 ASN C OD1 3052 N ND2 . ASN C 14 ? 0.0650 0.0472 0.2907 -0.0126 0.0360 0.0092 11 ASN C ND2 3053 N N . LEU C 15 ? 0.0631 0.0445 0.3099 -0.0124 0.0315 -0.0057 12 LEU C N 3054 C CA . LEU C 15 ? 0.0607 0.0437 0.3127 -0.0113 0.0306 -0.0100 12 LEU C CA 3055 C C . LEU C 15 ? 0.0899 0.0464 0.3535 -0.0209 0.0283 -0.0076 12 LEU C C 3056 O O . LEU C 15 ? 0.0875 0.0442 0.3527 -0.0175 0.0267 -0.0060 12 LEU C O 3057 C CB . LEU C 15 ? 0.0665 0.0465 0.3233 -0.0156 0.0305 -0.0182 12 LEU C CB 3058 C CG . LEU C 15 ? 0.1366 0.0987 0.4059 -0.0244 0.0287 -0.0262 12 LEU C CG 3059 C CD1 . LEU C 15 ? 0.1307 0.1116 0.3996 -0.0228 0.0310 -0.0258 12 LEU C CD1 3060 C CD2 . LEU C 15 ? 0.1797 0.1421 0.4499 -0.0215 0.0268 -0.0368 12 LEU C CD2 3061 N N . TYR C 16 ? 0.0444 0.0387 0.3032 -0.0022 0.0272 -0.0076 13 TYR C N 3062 C CA . TYR C 16 ? 0.0519 0.0389 0.3182 -0.0035 0.0242 -0.0053 13 TYR C CA 3063 C C . TYR C 16 ? 0.0811 0.0397 0.3544 -0.0083 0.0226 -0.0104 13 TYR C C 3064 O O . TYR C 16 ? 0.0754 0.0407 0.3476 -0.0101 0.0238 -0.0101 13 TYR C O 3065 C CB . TYR C 16 ? 0.0697 0.0401 0.3324 -0.0075 0.0239 0.0036 13 TYR C CB 3066 C CG . TYR C 16 ? 0.1083 0.0401 0.3765 -0.0109 0.0207 0.0086 13 TYR C CG 3067 C CD1 . TYR C 16 ? 0.1411 0.0406 0.4139 -0.0143 0.0193 0.0124 13 TYR C CD1 3068 C CD2 . TYR C 16 ? 0.1247 0.0455 0.3931 -0.0074 0.0183 0.0102 13 TYR C CD2 3069 C CE1 . TYR C 16 ? 0.1584 0.0444 0.4346 -0.0088 0.0156 0.0176 13 TYR C CE1 3070 C CE2 . TYR C 16 ? 0.1488 0.0592 0.4198 -0.0008 0.0146 0.0148 13 TYR C CE2 3071 C CZ . TYR C 16 ? 0.2425 0.1346 0.5171 -0.0015 0.0133 0.0190 13 TYR C CZ 3072 O OH . TYR C 16 ? 0.3142 0.1946 0.5918 0.0048 0.0093 0.0253 13 TYR C OH 3073 N N . GLN C 17 ? 0.0393 0.0386 0.3030 -0.0009 0.0186 -0.0127 14 GLN C N 3074 C CA . GLN C 17 ? 0.0390 0.0391 0.3074 -0.0011 0.0167 -0.0174 14 GLN C CA 3075 C C . GLN C 17 ? 0.0950 0.0417 0.3826 0.0114 0.0132 -0.0193 14 GLN C C 3076 O O . GLN C 17 ? 0.1101 0.0405 0.3990 0.0107 0.0109 -0.0166 14 GLN C O 3077 C CB . GLN C 17 ? 0.0417 0.0411 0.3255 -0.0012 0.0185 -0.0289 14 GLN C CB 3078 C CG . GLN C 17 ? 0.1755 0.1213 0.4630 0.0114 0.0171 -0.0419 14 GLN C CG 3079 C CD . GLN C 17 ? 0.2544 0.2156 0.5401 0.0127 0.0194 -0.0528 14 GLN C CD 3080 O OE1 . GLN C 17 ? 0.2013 0.1847 0.4875 0.0168 0.0223 -0.0563 14 GLN C OE1 3081 N NE2 . GLN C 17 ? 0.1266 0.0784 0.4103 0.0090 0.0182 -0.0578 14 GLN C NE2 3082 N N . SER C 18 ? 0.0667 0.0426 0.3539 0.0095 0.0109 -0.0182 15 SER C N 3083 C CA . SER C 18 ? 0.0870 0.0467 0.3782 0.0194 0.0062 -0.0163 15 SER C CA 3084 C C . SER C 18 ? 0.1724 0.0942 0.4753 0.0410 0.0034 -0.0271 15 SER C C 3085 O O . SER C 18 ? 0.1761 0.0793 0.4824 0.0465 -0.0011 -0.0231 15 SER C O 3086 C CB . SER C 18 ? 0.1082 0.0611 0.4062 0.0368 0.0055 -0.0154 15 SER C CB 3087 O OG . SER C 18 ? 0.1984 0.1746 0.5006 0.0392 0.0080 -0.0236 15 SER C OG 3088 N N . TYR C 19 ? 0.1419 0.0732 0.4460 0.0428 0.0055 -0.0392 16 TYR C N 3089 C CA . TYR C 19 ? 0.1605 0.0813 0.4698 0.0524 0.0022 -0.0507 16 TYR C CA 3090 C C . TYR C 19 ? 0.2342 0.1295 0.5426 0.0455 -0.0002 -0.0503 16 TYR C C 3091 O O . TYR C 19 ? 0.2215 0.1198 0.5254 0.0361 0.0027 -0.0519 16 TYR C O 3092 C CB . TYR C 19 ? 0.1719 0.1158 0.4808 0.0566 0.0058 -0.0639 16 TYR C CB 3093 C CG . TYR C 19 ? 0.2177 0.1517 0.5300 0.0669 0.0024 -0.0785 16 TYR C CG 3094 C CD1 . TYR C 19 ? 0.2555 0.1899 0.5748 0.0822 -0.0009 -0.0850 16 TYR C CD1 3095 C CD2 . TYR C 19 ? 0.2385 0.1622 0.5473 0.0621 0.0017 -0.0865 16 TYR C CD2 3096 C CE1 . TYR C 19 ? 0.2839 0.2073 0.6061 0.0930 -0.0047 -0.1000 16 TYR C CE1 3097 C CE2 . TYR C 19 ? 0.2726 0.1855 0.5840 0.0720 -0.0026 -0.1015 16 TYR C CE2 3098 C CZ . TYR C 19 ? 0.3734 0.2855 0.6913 0.0878 -0.0058 -0.1086 16 TYR C CZ 3099 O OH . TYR C 19 ? 0.4123 0.3127 0.7327 0.0992 -0.0106 -0.1250 16 TYR C OH 3100 N N . GLY C 20 ? 0.2241 0.0948 0.5381 0.0504 -0.0061 -0.0477 17 GLY C N 3101 C CA . GLY C 20 ? 0.2318 0.0768 0.5476 0.0426 -0.0092 -0.0435 17 GLY C CA 3102 C C . GLY C 20 ? 0.2891 0.1180 0.6071 0.0417 -0.0118 -0.0275 17 GLY C C 3103 O O . GLY C 20 ? 0.3113 0.1197 0.6363 0.0483 -0.0177 -0.0273 17 GLY C O 3104 N N . PRO C 21 ? 0.2330 0.0709 0.5445 0.0340 -0.0077 -0.0131 18 PRO C N 3105 C CA . PRO C 21 ? 0.2092 0.0682 0.5132 0.0254 -0.0014 -0.0148 18 PRO C CA 3106 C C . PRO C 21 ? 0.2473 0.1000 0.5504 0.0148 0.0002 -0.0170 18 PRO C C 3107 O O . PRO C 21 ? 0.2615 0.0938 0.5700 0.0118 -0.0033 -0.0149 18 PRO C O 3108 C CB . PRO C 21 ? 0.2204 0.0865 0.5180 0.0212 0.0012 -0.0009 18 PRO C CB 3109 C CG . PRO C 21 ? 0.2941 0.1398 0.5943 0.0216 -0.0023 0.0108 18 PRO C CG 3110 C CD . PRO C 21 ? 0.2537 0.0881 0.5624 0.0332 -0.0081 0.0041 18 PRO C CD 3111 N N . SER C 22 ? 0.1743 0.0451 0.4719 0.0094 0.0050 -0.0214 19 SER C N 3112 C CA . SER C 22 ? 0.1569 0.0393 0.4536 0.0001 0.0063 -0.0231 19 SER C CA 3113 C C . SER C 22 ? 0.1545 0.0405 0.4438 -0.0081 0.0122 -0.0197 19 SER C C 3114 O O . SER C 22 ? 0.1291 0.0392 0.4141 -0.0061 0.0152 -0.0178 19 SER C O 3115 C CB . SER C 22 ? 0.2259 0.0935 0.5255 0.0045 0.0034 -0.0397 19 SER C CB 3116 O OG . SER C 22 ? 0.3528 0.2401 0.6497 0.0123 0.0054 -0.0490 19 SER C OG 3117 N N . GLY C 23 ? 0.0951 0.0397 0.3834 -0.0082 0.0134 -0.0157 20 GLY C N 3118 C CA . GLY C 23 ? 0.0616 0.0395 0.3410 -0.0055 0.0185 -0.0119 20 GLY C CA 3119 C C . GLY C 23 ? 0.0779 0.0415 0.3572 -0.0112 0.0185 -0.0164 20 GLY C C 3120 O O . GLY C 23 ? 0.0961 0.0427 0.3822 -0.0147 0.0143 -0.0219 20 GLY C O 3121 N N . GLN C 24 ? 0.0396 0.0386 0.2584 -0.0009 0.0186 -0.0111 21 GLN C N 3122 C CA . GLN C 24 ? 0.0395 0.0387 0.2358 -0.0010 0.0172 -0.0119 21 GLN C CA 3123 C C . GLN C 24 ? 0.0404 0.0383 0.2723 -0.0009 0.0235 -0.0089 21 GLN C C 3124 O O . GLN C 24 ? 0.0407 0.0381 0.2551 -0.0006 0.0242 -0.0055 21 GLN C O 3125 C CB . GLN C 24 ? 0.0397 0.0397 0.2382 -0.0017 0.0185 -0.0185 21 GLN C CB 3126 C CG . GLN C 24 ? 0.0400 0.0410 0.2918 -0.0025 0.0225 -0.0277 21 GLN C CG 3127 C CD . GLN C 24 ? 0.2348 0.1850 0.5039 -0.0395 0.0209 -0.0429 21 GLN C CD 3128 O OE1 . GLN C 24 ? 0.1436 0.0944 0.4126 -0.0339 0.0178 -0.0545 21 GLN C OE1 3129 N NE2 . GLN C 24 ? 0.1556 0.1203 0.4196 -0.0427 0.0248 -0.0375 21 GLN C NE2 3130 N N . TYR C 25 ? 0.0398 0.0382 0.2337 -0.0006 0.0190 -0.0066 22 TYR C N 3131 C CA . TYR C 25 ? 0.0400 0.0380 0.2115 -0.0003 0.0186 -0.0027 22 TYR C CA 3132 C C . TYR C 25 ? 0.0405 0.0382 0.2702 -0.0007 0.0240 -0.0065 22 TYR C C 3133 O O . TYR C 25 ? 0.0399 0.0383 0.2816 -0.0008 0.0216 -0.0085 22 TYR C O 3134 C CB . TYR C 25 ? 0.0401 0.0380 0.2249 0.0003 0.0200 0.0024 22 TYR C CB 3135 C CG . TYR C 25 ? 0.0409 0.0382 0.2403 0.0007 0.0243 0.0059 22 TYR C CG 3136 C CD1 . TYR C 25 ? 0.0411 0.0382 0.2643 0.0009 0.0266 0.0073 22 TYR C CD1 3137 C CD2 . TYR C 25 ? 0.0416 0.0383 0.2403 0.0010 0.0268 0.0079 22 TYR C CD2 3138 C CE1 . TYR C 25 ? 0.0419 0.0385 0.2736 0.0014 0.0303 0.0109 22 TYR C CE1 3139 C CE2 . TYR C 25 ? 0.0422 0.0385 0.2443 0.0015 0.0296 0.0104 22 TYR C CE2 3140 C CZ . TYR C 25 ? 0.1168 0.0717 0.3767 -0.0459 0.0404 0.0235 22 TYR C CZ 3141 O OH . TYR C 25 ? 0.1439 0.0901 0.4110 -0.0613 0.0459 0.0308 22 TYR C OH 3142 N N . SER C 26 ? 0.0403 0.0381 0.2166 -0.0006 0.0204 -0.0052 23 SER C N 3143 C CA . SER C 26 ? 0.0401 0.0383 0.2132 -0.0007 0.0193 -0.0067 23 SER C CA 3144 C C . SER C 26 ? 0.0412 0.0381 0.2595 -0.0005 0.0267 -0.0045 23 SER C C 3145 O O . SER C 26 ? 0.0417 0.0380 0.2550 -0.0002 0.0285 -0.0019 23 SER C O 3146 C CB . SER C 26 ? 0.0405 0.0391 0.2472 -0.0016 0.0228 -0.0151 23 SER C CB 3147 O OG . SER C 26 ? 0.0602 0.0506 0.2915 -0.0167 0.0278 -0.0167 23 SER C OG 3148 N N . HIS C 27 ? 0.0403 0.0380 0.2188 -0.0003 0.0206 -0.0031 24 HIS C N 3149 C CA . HIS C 27 ? 0.0403 0.0380 0.2015 0.0000 0.0194 0.0003 24 HIS C CA 3150 C C . HIS C 27 ? 0.0589 0.0545 0.2752 -0.0174 0.0252 -0.0004 24 HIS C C 3151 O O . HIS C 27 ? 0.0622 0.0591 0.2819 -0.0220 0.0229 -0.0053 24 HIS C O 3152 C CB . HIS C 27 ? 0.0401 0.0381 0.2026 0.0005 0.0188 0.0041 24 HIS C CB 3153 C CG . HIS C 27 ? 0.0410 0.0383 0.2355 0.0010 0.0245 0.0083 24 HIS C CG 3154 N ND1 . HIS C 27 ? 0.0414 0.0389 0.2543 0.0017 0.0273 0.0136 24 HIS C ND1 3155 C CD2 . HIS C 27 ? 0.0417 0.0383 0.2494 0.0011 0.0280 0.0085 24 HIS C CD2 3156 C CE1 . HIS C 27 ? 0.0418 0.0390 0.2407 0.0020 0.0279 0.0143 24 HIS C CE1 3157 N NE2 . HIS C 27 ? 0.0421 0.0387 0.2442 0.0017 0.0290 0.0121 24 HIS C NE2 3158 N N . GLU C 28 ? 0.0414 0.0384 0.2343 -0.0004 0.0242 0.0007 25 GLU C N 3159 C CA . GLU C 28 ? 0.0456 0.0439 0.2316 -0.0053 0.0231 0.0006 25 GLU C CA 3160 C C . GLU C 28 ? 0.0715 0.0779 0.2853 -0.0335 0.0261 0.0120 25 GLU C C 3161 O O . GLU C 28 ? 0.0641 0.0655 0.2712 -0.0230 0.0260 0.0157 25 GLU C O 3162 C CB . GLU C 28 ? 0.0546 0.0554 0.2457 -0.0153 0.0263 -0.0004 25 GLU C CB 3163 C CG . GLU C 28 ? 0.1142 0.1275 0.3621 -0.0632 0.0323 -0.0044 25 GLU C CG 3164 C CD . GLU C 28 ? 0.3147 0.3353 0.5590 -0.0606 0.0349 -0.0062 25 GLU C CD 3165 O OE1 . GLU C 28 ? 0.2890 0.3186 0.5303 -0.0620 0.0374 0.0006 25 GLU C OE1 3166 O OE2 . GLU C 28 ? 0.1434 0.1610 0.3889 -0.0570 0.0342 -0.0141 25 GLU C OE2 3167 N N . PHE C 29 ? 0.0565 0.0635 0.2464 -0.0193 0.0208 0.0104 26 PHE C N 3168 C CA . PHE C 29 ? 0.0562 0.0662 0.2431 -0.0192 0.0189 0.0185 26 PHE C CA 3169 C C . PHE C 29 ? 0.0859 0.1315 0.3172 -0.0619 0.0261 0.0259 26 PHE C C 3170 O O . PHE C 29 ? 0.0793 0.1307 0.3030 -0.0585 0.0224 0.0187 26 PHE C O 3171 C CB . PHE C 29 ? 0.0613 0.0751 0.2636 -0.0258 0.0182 0.0224 26 PHE C CB 3172 C CG . PHE C 29 ? 0.0659 0.0853 0.2771 -0.0312 0.0183 0.0328 26 PHE C CG 3173 C CD1 . PHE C 29 ? 0.0789 0.1198 0.3110 -0.0518 0.0197 0.0403 26 PHE C CD1 3174 C CD2 . PHE C 29 ? 0.0708 0.0861 0.2933 -0.0330 0.0216 0.0383 26 PHE C CD2 3175 C CE1 . PHE C 29 ? 0.0807 0.1258 0.3190 -0.0535 0.0197 0.0509 26 PHE C CE1 3176 C CE2 . PHE C 29 ? 0.0862 0.1081 0.3304 -0.0488 0.0251 0.0505 26 PHE C CE2 3177 C CZ . PHE C 29 ? 0.0768 0.1070 0.3108 -0.0428 0.0198 0.0538 26 PHE C CZ 3178 N N . ASP C 30 ? 0.0805 0.1224 0.2958 -0.0533 0.0259 0.0325 27 ASP C N 3179 C CA . ASP C 30 ? 0.0816 0.1436 0.2969 -0.0600 0.0273 0.0372 27 ASP C CA 3180 C C . ASP C 30 ? 0.1254 0.2072 0.3487 -0.0675 0.0302 0.0275 27 ASP C C 3181 O O . ASP C 30 ? 0.1281 0.2263 0.3444 -0.0660 0.0280 0.0244 27 ASP C O 3182 C CB . ASP C 30 ? 0.0923 0.1731 0.3190 -0.0683 0.0263 0.0453 27 ASP C CB 3183 C CG . ASP C 30 ? 0.2189 0.2905 0.4500 -0.0683 0.0264 0.0578 27 ASP C CG 3184 O OD1 . ASP C 30 ? 0.2268 0.2847 0.4609 -0.0694 0.0294 0.0618 27 ASP C OD1 3185 O OD2 . ASP C 30 ? 0.3221 0.4000 0.5535 -0.0668 0.0230 0.0632 27 ASP C OD2 3186 N N . GLY C 31 ? 0.0816 0.1519 0.3031 -0.0643 0.0319 0.0208 28 GLY C N 3187 C CA . GLY C 31 ? 0.0791 0.1604 0.3012 -0.0640 0.0333 0.0101 28 GLY C CA 3188 C C . GLY C 31 ? 0.1401 0.2187 0.3628 -0.0617 0.0287 -0.0035 28 GLY C C 3189 O O . GLY C 31 ? 0.1660 0.2500 0.3855 -0.0580 0.0285 -0.0144 28 GLY C O 3190 N N . ASP C 32 ? 0.0740 0.1385 0.2929 -0.0586 0.0240 -0.0038 29 ASP C N 3191 C CA . ASP C 32 ? 0.0735 0.1332 0.2954 -0.0579 0.0191 -0.0154 29 ASP C CA 3192 C C . ASP C 32 ? 0.1155 0.1612 0.3572 -0.0657 0.0196 -0.0148 29 ASP C C 3193 O O . ASP C 32 ? 0.1042 0.1426 0.3500 -0.0674 0.0226 -0.0049 29 ASP C O 3194 C CB . ASP C 32 ? 0.0898 0.1663 0.3197 -0.0649 0.0139 -0.0155 29 ASP C CB 3195 C CG . ASP C 32 ? 0.1723 0.2702 0.3900 -0.0620 0.0127 -0.0180 29 ASP C CG 3196 O OD1 . ASP C 32 ? 0.1821 0.2863 0.3933 -0.0581 0.0131 -0.0283 29 ASP C OD1 3197 O OD2 . ASP C 32 ? 0.2221 0.3317 0.4365 -0.0629 0.0113 -0.0095 29 ASP C OD2 3198 N N . GLU C 33 ? 0.0854 0.1209 0.3277 -0.0627 0.0161 -0.0254 30 GLU C N 3199 C CA . GLU C 33 ? 0.0915 0.1089 0.3404 -0.0615 0.0161 -0.0249 30 GLU C CA 3200 C C . GLU C 33 ? 0.1248 0.1412 0.3894 -0.0723 0.0121 -0.0223 30 GLU C C 3201 O O . GLU C 33 ? 0.1417 0.1629 0.4079 -0.0740 0.0059 -0.0298 30 GLU C O 3202 C CB . GLU C 33 ? 0.1148 0.1249 0.3711 -0.0643 0.0134 -0.0370 30 GLU C CB 3203 C CG . GLU C 33 ? 0.2567 0.2478 0.5235 -0.0667 0.0115 -0.0373 30 GLU C CG 3204 C CD . GLU C 33 ? 0.5592 0.5401 0.8270 -0.0627 0.0081 -0.0492 30 GLU C CD 3205 O OE1 . GLU C 33 ? 0.3572 0.3458 0.6190 -0.0587 0.0048 -0.0611 30 GLU C OE1 3206 O OE2 . GLU C 33 ? 0.5493 0.5145 0.8236 -0.0629 0.0087 -0.0466 30 GLU C OE2 3207 N N . GLU C 34 ? 0.0818 0.0882 0.3228 -0.0468 0.0152 -0.0124 31 GLU C N 3208 C CA . GLU C 34 ? 0.0761 0.0811 0.3163 -0.0405 0.0125 -0.0088 31 GLU C CA 3209 C C . GLU C 34 ? 0.0945 0.0925 0.3591 -0.0555 0.0105 -0.0122 31 GLU C C 3210 O O . GLU C 34 ? 0.1040 0.1029 0.3817 -0.0653 0.0052 -0.0157 31 GLU C O 3211 C CB . GLU C 34 ? 0.0794 0.0850 0.3256 -0.0436 0.0160 0.0018 31 GLU C CB 3212 C CG . GLU C 34 ? 0.1708 0.1878 0.4451 -0.0747 0.0216 0.0092 31 GLU C CG 3213 C CD . GLU C 34 ? 0.3456 0.3640 0.6232 -0.0736 0.0247 0.0193 31 GLU C CD 3214 O OE1 . GLU C 34 ? 0.2972 0.3075 0.5789 -0.0731 0.0281 0.0230 31 GLU C OE1 3215 O OE2 . GLU C 34 ? 0.2140 0.2416 0.4895 -0.0723 0.0236 0.0235 31 GLU C OE2 3216 N N . PHE C 35 ? 0.0542 0.0512 0.2848 -0.0146 0.0136 -0.0114 32 PHE C N 3217 C CA . PHE C 35 ? 0.0502 0.0467 0.2886 -0.0103 0.0122 -0.0125 32 PHE C CA 3218 C C . PHE C 35 ? 0.0774 0.0616 0.3346 -0.0305 0.0148 -0.0144 32 PHE C C 3219 O O . PHE C 35 ? 0.0601 0.0513 0.3009 -0.0171 0.0187 -0.0127 32 PHE C O 3220 C CB . PHE C 35 ? 0.0587 0.0520 0.3097 -0.0170 0.0122 -0.0041 32 PHE C CB 3221 C CG . PHE C 35 ? 0.0566 0.0500 0.3055 -0.0143 0.0170 0.0028 32 PHE C CG 3222 C CD1 . PHE C 35 ? 0.0740 0.0583 0.3359 -0.0262 0.0202 0.0049 32 PHE C CD1 3223 C CD2 . PHE C 35 ? 0.0637 0.0570 0.3145 -0.0207 0.0196 0.0088 32 PHE C CD2 3224 C CE1 . PHE C 35 ? 0.0747 0.0582 0.3344 -0.0253 0.0249 0.0110 32 PHE C CE1 3225 C CE2 . PHE C 35 ? 0.0814 0.0695 0.3439 -0.0341 0.0260 0.0163 32 PHE C CE2 3226 C CZ . PHE C 35 ? 0.0692 0.0572 0.3229 -0.0216 0.0268 0.0150 32 PHE C CZ 3227 N N . TYR C 36 ? 0.0588 0.0490 0.3141 -0.0150 0.0127 -0.0160 33 TYR C N 3228 C CA . TYR C 36 ? 0.0494 0.0433 0.3052 -0.0077 0.0144 -0.0158 33 TYR C CA 3229 C C . TYR C 36 ? 0.0992 0.0608 0.3834 -0.0373 0.0122 -0.0103 33 TYR C C 3230 O O . TYR C 36 ? 0.0921 0.0593 0.3794 -0.0339 0.0084 -0.0092 33 TYR C O 3231 C CB . TYR C 36 ? 0.0580 0.0472 0.3193 -0.0127 0.0124 -0.0258 33 TYR C CB 3232 C CG . TYR C 36 ? 0.0826 0.0554 0.3604 -0.0254 0.0049 -0.0338 33 TYR C CG 3233 C CD1 . TYR C 36 ? 0.1032 0.0575 0.3954 -0.0328 0.0012 -0.0335 33 TYR C CD1 3234 C CD2 . TYR C 36 ? 0.0949 0.0631 0.3746 -0.0332 0.0000 -0.0440 33 TYR C CD2 3235 C CE1 . TYR C 36 ? 0.1051 0.0573 0.4057 -0.0311 -0.0060 -0.0395 33 TYR C CE1 3236 C CE2 . TYR C 36 ? 0.1169 0.0696 0.4094 -0.0419 -0.0088 -0.0543 33 TYR C CE2 3237 C CZ . TYR C 36 ? 0.1876 0.0826 0.5045 -0.0716 -0.0165 -0.0612 33 TYR C CZ 3238 O OH . TYR C 36 ? 0.2275 0.1016 0.5546 -0.0775 -0.0267 -0.0733 33 TYR C OH 3239 N N . VAL C 37 ? 0.0873 0.0539 0.3680 -0.0280 0.0148 -0.0051 34 VAL C N 3240 C CA . VAL C 37 ? 0.0936 0.0546 0.3841 -0.0302 0.0135 0.0023 34 VAL C CA 3241 C C . VAL C 37 ? 0.1687 0.0691 0.4831 -0.0637 0.0095 -0.0017 34 VAL C C 3242 O O . VAL C 37 ? 0.1691 0.0648 0.4778 -0.0593 0.0109 -0.0052 34 VAL C O 3243 C CB . VAL C 37 ? 0.1123 0.0612 0.4049 -0.0400 0.0196 0.0136 34 VAL C CB 3244 C CG1 . VAL C 37 ? 0.1181 0.0618 0.4192 -0.0411 0.0186 0.0223 34 VAL C CG1 3245 C CG2 . VAL C 37 ? 0.1027 0.0629 0.3893 -0.0378 0.0228 0.0176 34 VAL C CG2 3246 N N . ASP C 38 ? 0.1642 0.0669 0.4868 -0.0604 0.0033 -0.0028 35 ASP C N 3247 C CA . ASP C 38 ? 0.1759 0.0629 0.5050 -0.0584 -0.0023 -0.0071 35 ASP C CA 3248 C C . ASP C 38 ? 0.2123 0.0670 0.5483 -0.0710 0.0015 0.0070 35 ASP C C 3249 O O . ASP C 38 ? 0.2256 0.0734 0.5712 -0.0805 0.0027 0.0196 35 ASP C O 3250 C CB . ASP C 38 ? 0.2134 0.0701 0.5601 -0.0743 -0.0114 -0.0130 35 ASP C CB 3251 C CG . ASP C 38 ? 0.3623 0.1711 0.7199 -0.0825 -0.0192 -0.0209 35 ASP C CG 3252 O OD1 . ASP C 38 ? 0.3513 0.1495 0.7089 -0.0783 -0.0171 -0.0120 35 ASP C OD1 3253 O OD2 . ASP C 38 ? 0.4900 0.2893 0.8532 -0.0839 -0.0279 -0.0347 35 ASP C OD2 3254 N N . LEU C 39 ? 0.1593 0.0548 0.4798 -0.0450 0.0040 0.0054 36 LEU C N 3255 C CA . LEU C 39 ? 0.1546 0.0533 0.4725 -0.0411 0.0073 0.0166 36 LEU C CA 3256 C C . LEU C 39 ? 0.2583 0.0734 0.5960 -0.0686 0.0038 0.0278 36 LEU C C 3257 O O . LEU C 39 ? 0.2791 0.0942 0.6177 -0.0710 0.0077 0.0435 36 LEU C O 3258 C CB . LEU C 39 ? 0.1377 0.0487 0.4449 -0.0317 0.0100 0.0123 36 LEU C CB 3259 C CG . LEU C 39 ? 0.1618 0.0534 0.4626 -0.0431 0.0151 0.0081 36 LEU C CG 3260 C CD1 . LEU C 39 ? 0.1525 0.0496 0.4457 -0.0360 0.0168 0.0048 36 LEU C CD1 3261 C CD2 . LEU C 39 ? 0.1632 0.0592 0.4610 -0.0496 0.0207 0.0177 36 LEU C CD2 3262 N N . GLU C 40 ? 0.2401 0.0571 0.5843 -0.0614 -0.0046 0.0172 37 GLU C N 3263 C CA . GLU C 40 ? 0.2750 0.0582 0.6327 -0.0677 -0.0103 0.0252 37 GLU C CA 3264 C C . GLU C 40 ? 0.3490 0.1203 0.7213 -0.0844 -0.0114 0.0359 37 GLU C C 3265 O O . GLU C 40 ? 0.3648 0.1305 0.7434 -0.0892 -0.0094 0.0535 37 GLU C O 3266 C CB . GLU C 40 ? 0.3129 0.0670 0.6764 -0.0642 -0.0195 0.0097 37 GLU C CB 3267 C CG . GLU C 40 ? 0.4919 0.2422 0.8477 -0.0503 -0.0195 0.0057 37 GLU C CG 3268 C CD . GLU C 40 ? 0.8303 0.6043 1.1713 -0.0423 -0.0131 -0.0012 37 GLU C CD 3269 O OE1 . GLU C 40 ? 0.8019 0.5804 1.1365 -0.0352 -0.0097 0.0055 37 GLU C OE1 3270 O OE2 . GLU C 40 ? 0.8010 0.5895 1.1371 -0.0438 -0.0117 -0.0122 37 GLU C OE2 3271 N N . ARG C 41 ? 0.2944 0.0718 0.6714 -0.0908 -0.0145 0.0257 38 ARG C N 3272 C CA . ARG C 41 ? 0.2979 0.0798 0.6893 -0.1028 -0.0166 0.0335 38 ARG C CA 3273 C C . ARG C 41 ? 0.3160 0.1168 0.7058 -0.1095 -0.0066 0.0494 38 ARG C C 3274 O O . ARG C 41 ? 0.3199 0.1216 0.7235 -0.1202 -0.0064 0.0624 38 ARG C O 3275 C CB . ARG C 41 ? 0.3212 0.1012 0.7180 -0.1088 -0.0237 0.0166 38 ARG C CB 3276 C CG . ARG C 41 ? 0.5184 0.2722 0.9247 -0.1088 -0.0358 0.0034 38 ARG C CG 3277 C CD . ARG C 41 ? 0.7244 0.4829 1.1318 -0.1113 -0.0430 -0.0157 38 ARG C CD 3278 N NE . ARG C 41 ? 0.8946 0.6627 1.3156 -0.1256 -0.0450 -0.0092 38 ARG C NE 3279 C CZ . ARG C 41 ? 1.1047 0.8565 1.5444 -0.1367 -0.0549 -0.0098 38 ARG C CZ 3280 N NH1 . ARG C 41 ? 0.9739 0.6961 1.4208 -0.1350 -0.0643 -0.0172 38 ARG C NH1 3281 N NH2 . ARG C 41 ? 0.9351 0.7001 1.3878 -0.1497 -0.0561 -0.0032 38 ARG C NH2 3282 N N . LYS C 42 ? 0.2398 0.0814 0.6080 -0.0895 0.0004 0.0461 39 LYS C N 3283 C CA . LYS C 42 ? 0.2176 0.0861 0.5781 -0.0862 0.0089 0.0559 39 LYS C CA 3284 C C . LYS C 42 ? 0.2524 0.1075 0.6292 -0.1117 0.0098 0.0564 39 LYS C C 3285 O O . LYS C 42 ? 0.2492 0.1146 0.6364 -0.1190 0.0124 0.0685 39 LYS C O 3286 C CB . LYS C 42 ? 0.2485 0.0989 0.6185 -0.1007 0.0152 0.0787 39 LYS C CB 3287 C CG . LYS C 42 ? 0.4860 0.3143 0.8507 -0.0987 0.0163 0.0857 39 LYS C CG 3288 C CD . LYS C 42 ? 0.6200 0.4541 0.9852 -0.1009 0.0228 0.1068 39 LYS C CD 3289 C CE . LYS C 42 ? 0.7736 0.5958 1.1308 -0.0928 0.0222 0.1129 39 LYS C CE 3290 N NZ . LYS C 42 ? 0.9055 0.7336 1.2630 -0.0952 0.0280 0.1346 39 LYS C NZ 3291 N N . GLU C 43 ? 0.1975 0.0867 0.5570 -0.0855 0.0039 0.0367 40 GLU C N 3292 C CA . GLU C 43 ? 0.1829 0.0890 0.5433 -0.0843 0.0009 0.0310 40 GLU C CA 3293 C C . GLU C 43 ? 0.1735 0.0878 0.5210 -0.0811 0.0038 0.0214 40 GLU C C 3294 O O . GLU C 43 ? 0.1564 0.0764 0.4907 -0.0672 0.0025 0.0110 40 GLU C O 3295 C CB . GLU C 43 ? 0.2181 0.0965 0.5983 -0.1022 -0.0092 0.0230 40 GLU C CB 3296 C CG . GLU C 43 ? 0.4342 0.3018 0.8339 -0.1293 -0.0136 0.0179 40 GLU C CG 3297 C CD . GLU C 43 ? 0.8994 0.7516 1.3123 -0.1364 -0.0262 0.0066 40 GLU C CD 3298 O OE1 . GLU C 43 ? 0.9956 0.8593 1.4160 -0.1431 -0.0312 0.0014 40 GLU C OE1 3299 O OE2 . GLU C 43 ? 0.8599 0.6883 1.2761 -0.1350 -0.0316 0.0026 40 GLU C OE2 3300 N N . THR C 44 ? 0.1206 0.0747 0.4478 -0.0538 0.0052 0.0220 41 THR C N 3301 C CA . THR C 44 ? 0.1001 0.0678 0.4096 -0.0423 0.0070 0.0148 41 THR C CA 3302 C C . THR C 44 ? 0.1400 0.0881 0.4708 -0.0714 0.0009 0.0058 41 THR C C 3303 O O . THR C 44 ? 0.1464 0.0952 0.4893 -0.0787 -0.0036 0.0079 41 THR C O 3304 C CB . THR C 44 ? 0.1248 0.0873 0.4458 -0.0633 0.0140 0.0252 41 THR C CB 3305 O OG1 . THR C 44 ? 0.1178 0.0828 0.4330 -0.0559 0.0194 0.0336 41 THR C OG1 3306 C CG2 . THR C 44 ? 0.0827 0.0656 0.3717 -0.0336 0.0139 0.0171 41 THR C CG2 3307 N N . VAL C 45 ? 0.1110 0.0721 0.4205 -0.0499 -0.0005 -0.0054 42 VAL C N 3308 C CA . VAL C 45 ? 0.1177 0.0772 0.4300 -0.0551 -0.0071 -0.0166 42 VAL C CA 3309 C C . VAL C 45 ? 0.1568 0.1064 0.4832 -0.0890 -0.0066 -0.0222 42 VAL C C 3310 O O . VAL C 45 ? 0.1601 0.1074 0.4799 -0.0906 -0.0042 -0.0278 42 VAL C O 3311 C CB . VAL C 45 ? 0.1544 0.0868 0.4808 -0.0726 -0.0138 -0.0311 42 VAL C CB 3312 C CG1 . VAL C 45 ? 0.1591 0.0926 0.4873 -0.0753 -0.0225 -0.0449 42 VAL C CG1 3313 C CG2 . VAL C 45 ? 0.1610 0.0813 0.4969 -0.0707 -0.0158 -0.0259 42 VAL C CG2 3314 N N . TRP C 46 ? 0.1305 0.1003 0.4471 -0.0752 -0.0069 -0.0167 43 TRP C N 3315 C CA . TRP C 46 ? 0.1219 0.1050 0.4294 -0.0743 -0.0057 -0.0175 43 TRP C CA 3316 C C . TRP C 46 ? 0.1731 0.1543 0.4995 -0.1012 -0.0154 -0.0345 43 TRP C C 3317 O O . TRP C 46 ? 0.1893 0.1632 0.5239 -0.1060 -0.0239 -0.0435 43 TRP C O 3318 C CB . TRP C 46 ? 0.1084 0.1028 0.4130 -0.0673 -0.0050 -0.0077 43 TRP C CB 3319 C CG . TRP C 46 ? 0.1066 0.1010 0.4133 -0.0657 0.0021 0.0043 43 TRP C CG 3320 C CD1 . TRP C 46 ? 0.1305 0.1178 0.4641 -0.0856 0.0043 0.0123 43 TRP C CD1 3321 C CD2 . TRP C 46 ? 0.0956 0.0952 0.3893 -0.0569 0.0080 0.0100 43 TRP C CD2 3322 N NE1 . TRP C 46 ? 0.1210 0.1126 0.4471 -0.0773 0.0117 0.0219 43 TRP C NE1 3323 C CE2 . TRP C 46 ? 0.1196 0.1171 0.4405 -0.0787 0.0150 0.0212 43 TRP C CE2 3324 C CE3 . TRP C 46 ? 0.0953 0.1005 0.3834 -0.0594 0.0097 0.0090 43 TRP C CE3 3325 C CZ2 . TRP C 46 ? 0.1056 0.1070 0.4120 -0.0653 0.0206 0.0268 43 TRP C CZ2 3326 C CZ3 . TRP C 46 ? 0.0964 0.1042 0.3856 -0.0607 0.0158 0.0167 43 TRP C CZ3 3327 C CH2 . TRP C 46 ? 0.0998 0.1053 0.3961 -0.0616 0.0210 0.0245 43 TRP C CH2 3328 N N . GLN C 47 ? 0.1371 0.1306 0.4468 -0.0926 -0.0131 -0.0374 44 GLN C N 3329 C CA . GLN C 47 ? 0.1483 0.1493 0.4519 -0.0925 -0.0201 -0.0516 44 GLN C CA 3330 C C . GLN C 47 ? 0.2051 0.2239 0.5097 -0.0956 -0.0259 -0.0529 44 GLN C C 3331 O O . GLN C 47 ? 0.2062 0.2313 0.5047 -0.0942 -0.0327 -0.0652 44 GLN C O 3332 C CB . GLN C 47 ? 0.1650 0.1717 0.4521 -0.0840 -0.0148 -0.0542 44 GLN C CB 3333 C CG . GLN C 47 ? 0.3585 0.3504 0.6449 -0.0804 -0.0087 -0.0516 44 GLN C CG 3334 C CD . GLN C 47 ? 0.4918 0.4651 0.7845 -0.0806 -0.0138 -0.0614 44 GLN C CD 3335 O OE1 . GLN C 47 ? 0.4562 0.4291 0.7461 -0.0786 -0.0204 -0.0755 44 GLN C OE1 3336 N NE2 . GLN C 47 ? 0.3123 0.2705 0.6130 -0.0824 -0.0109 -0.0541 44 GLN C NE2 3337 N N . LEU C 48 ? 0.1699 0.1976 0.4824 -0.0991 -0.0235 -0.0405 45 LEU C N 3338 C CA . LEU C 48 ? 0.1723 0.2183 0.4879 -0.1019 -0.0294 -0.0402 45 LEU C CA 3339 C C . LEU C 48 ? 0.2640 0.3079 0.5996 -0.1105 -0.0323 -0.0346 45 LEU C C 3340 O O . LEU C 48 ? 0.2528 0.2881 0.5961 -0.1121 -0.0260 -0.0249 45 LEU C O 3341 C CB . LEU C 48 ? 0.1538 0.2163 0.4605 -0.0970 -0.0245 -0.0301 45 LEU C CB 3342 C CG . LEU C 48 ? 0.2026 0.2737 0.4906 -0.0901 -0.0235 -0.0349 45 LEU C CG 3343 C CD1 . LEU C 48 ? 0.1945 0.2800 0.4762 -0.0864 -0.0196 -0.0229 45 LEU C CD1 3344 C CD2 . LEU C 48 ? 0.2381 0.3167 0.5197 -0.0899 -0.0327 -0.0500 45 LEU C CD2 3345 N N . PRO C 49 ? 0.2671 0.3208 0.6112 -0.1164 -0.0429 -0.0418 46 PRO C N 3346 C CA . PRO C 49 ? 0.2746 0.3274 0.6409 -0.1262 -0.0460 -0.0357 46 PRO C CA 3347 C C . PRO C 49 ? 0.3198 0.3865 0.6945 -0.1262 -0.0389 -0.0192 46 PRO C C 3348 O O . PRO C 49 ? 0.3067 0.3689 0.6941 -0.1300 -0.0338 -0.0092 46 PRO C O 3349 C CB . PRO C 49 ? 0.3104 0.3735 0.6832 -0.1322 -0.0595 -0.0472 46 PRO C CB 3350 C CG . PRO C 49 ? 0.3636 0.4434 0.7187 -0.1246 -0.0611 -0.0519 46 PRO C CG 3351 C CD . PRO C 49 ? 0.3005 0.3699 0.6368 -0.1155 -0.0529 -0.0536 46 PRO C CD 3352 N N . LEU C 50 ? 0.2818 0.3656 0.6471 -0.1204 -0.0383 -0.0167 47 LEU C N 3353 C CA . LEU C 50 ? 0.2749 0.3740 0.6456 -0.1177 -0.0332 -0.0033 47 LEU C CA 3354 C C . LEU C 50 ? 0.2975 0.3875 0.6664 -0.1131 -0.0211 0.0079 47 LEU C C 3355 O O . LEU C 50 ? 0.2938 0.3928 0.6734 -0.1131 -0.0169 0.0184 47 LEU C O 3356 C CB . LEU C 50 ? 0.2831 0.3985 0.6406 -0.1111 -0.0358 -0.0040 47 LEU C CB 3357 C CG . LEU C 50 ? 0.3592 0.4957 0.7257 -0.1152 -0.0465 -0.0067 47 LEU C CG 3358 C CD1 . LEU C 50 ? 0.3640 0.5175 0.7176 -0.1072 -0.0473 -0.0027 47 LEU C CD1 3359 C CD2 . LEU C 50 ? 0.3816 0.5279 0.7718 -0.1214 -0.0465 0.0024 47 LEU C CD2 3360 N N . PHE C 51 ? 0.2286 0.3023 0.5840 -0.1087 -0.0160 0.0051 48 PHE C N 3361 C CA . PHE C 51 ? 0.2102 0.2746 0.5624 -0.1043 -0.0058 0.0140 48 PHE C CA 3362 C C . PHE C 51 ? 0.2539 0.3143 0.6221 -0.1098 -0.0026 0.0211 48 PHE C C 3363 O O . PHE C 51 ? 0.2268 0.2907 0.5976 -0.1066 0.0048 0.0309 48 PHE C O 3364 C CB . PHE C 51 ? 0.2323 0.2798 0.5700 -0.1006 -0.0029 0.0077 48 PHE C CB 3365 C CG . PHE C 51 ? 0.2462 0.2977 0.5674 -0.0938 -0.0013 0.0063 48 PHE C CG 3366 C CD1 . PHE C 51 ? 0.2789 0.3420 0.5975 -0.0896 0.0009 0.0142 48 PHE C CD1 3367 C CD2 . PHE C 51 ? 0.2820 0.3263 0.5911 -0.0913 -0.0020 -0.0024 48 PHE C CD2 3368 C CE1 . PHE C 51 ? 0.2876 0.3542 0.5923 -0.0844 0.0021 0.0147 48 PHE C CE1 3369 C CE2 . PHE C 51 ? 0.3090 0.3595 0.6042 -0.0859 -0.0001 -0.0020 48 PHE C CE2 3370 C CZ . PHE C 51 ? 0.2734 0.3345 0.5667 -0.0831 0.0019 0.0073 48 PHE C CZ 3371 N N . ARG C 52 ? 0.2391 0.2924 0.6180 -0.1181 -0.0083 0.0161 49 ARG C N 3372 C CA . ARG C 52 ? 0.2519 0.3016 0.6475 -0.1250 -0.0057 0.0245 49 ARG C CA 3373 C C . ARG C 52 ? 0.3107 0.3816 0.7233 -0.1282 -0.0038 0.0356 49 ARG C C 3374 O O . ARG C 52 ? 0.3053 0.3781 0.7273 -0.1300 0.0028 0.0462 49 ARG C O 3375 C CB . ARG C 52 ? 0.2754 0.3100 0.6795 -0.1336 -0.0135 0.0169 49 ARG C CB 3376 C CG . ARG C 52 ? 0.3967 0.4089 0.7934 -0.1312 -0.0092 0.0166 49 ARG C CG 3377 C CD . ARG C 52 ? 0.5007 0.4967 0.9100 -0.1402 -0.0165 0.0125 49 ARG C CD 3378 N NE . ARG C 52 ? 0.6098 0.5845 1.0123 -0.1369 -0.0129 0.0128 49 ARG C NE 3379 C CZ . ARG C 52 ? 0.7622 0.7314 1.1697 -0.1380 -0.0059 0.0257 49 ARG C CZ 3380 N NH1 . ARG C 52 ? 0.6007 0.5847 1.0198 -0.1421 -0.0008 0.0392 49 ARG C NH1 3381 N NH2 . ARG C 52 ? 0.5601 0.5106 0.9607 -0.1344 -0.0039 0.0252 49 ARG C NH2 3382 N N . ARG C 53 ? 0.2615 0.3500 0.6773 -0.1281 -0.0094 0.0333 50 ARG C N 3383 C CA . ARG C 53 ? 0.2509 0.3619 0.6823 -0.1294 -0.0080 0.0430 50 ARG C CA 3384 C C . ARG C 53 ? 0.2771 0.3928 0.7024 -0.1193 0.0035 0.0530 50 ARG C C 3385 O O . ARG C 53 ? 0.2851 0.4133 0.7235 -0.1200 0.0089 0.0630 50 ARG C O 3386 C CB . ARG C 53 ? 0.2571 0.3856 0.6896 -0.1291 -0.0169 0.0378 50 ARG C CB 3387 C CG . ARG C 53 ? 0.4097 0.5639 0.8599 -0.1296 -0.0161 0.0477 50 ARG C CG 3388 C CD . ARG C 53 ? 0.5688 0.7405 1.0148 -0.1242 -0.0219 0.0456 50 ARG C CD 3389 N NE . ARG C 53 ? 0.7066 0.8807 1.1532 -0.1311 -0.0349 0.0340 50 ARG C NE 3390 C CZ . ARG C 53 ? 0.8770 1.0714 1.3257 -0.1298 -0.0430 0.0322 50 ARG C CZ 3391 N NH1 . ARG C 53 ? 0.6661 0.8789 1.1178 -0.1217 -0.0391 0.0422 50 ARG C NH1 3392 N NH2 . ARG C 53 ? 0.7246 0.9209 1.1722 -0.1359 -0.0552 0.0203 50 ARG C NH2 3393 N N . PHE C 54 ? 0.2000 0.3063 0.6056 -0.1098 0.0072 0.0502 51 PHE C N 3394 C CA . PHE C 54 ? 0.1780 0.2855 0.5768 -0.0999 0.0169 0.0579 51 PHE C CA 3395 C C . PHE C 54 ? 0.1956 0.2843 0.5817 -0.0958 0.0243 0.0585 51 PHE C C 3396 O O . PHE C 54 ? 0.1910 0.2809 0.5724 -0.0879 0.0317 0.0639 51 PHE C O 3397 C CB . PHE C 54 ? 0.1974 0.3091 0.5845 -0.0913 0.0157 0.0565 51 PHE C CB 3398 C CG . PHE C 54 ? 0.2196 0.3490 0.6141 -0.0933 0.0074 0.0551 51 PHE C CG 3399 C CD1 . PHE C 54 ? 0.2605 0.4099 0.6665 -0.0896 0.0082 0.0624 51 PHE C CD1 3400 C CD2 . PHE C 54 ? 0.2492 0.3763 0.6381 -0.0979 -0.0012 0.0459 51 PHE C CD2 3401 C CE1 . PHE C 54 ? 0.2745 0.4418 0.6874 -0.0911 -0.0004 0.0613 51 PHE C CE1 3402 C CE2 . PHE C 54 ? 0.2853 0.4299 0.6796 -0.0994 -0.0097 0.0440 51 PHE C CE2 3403 C CZ . PHE C 54 ? 0.2583 0.4231 0.6646 -0.0962 -0.0095 0.0522 51 PHE C CZ 3404 N N . ARG C 55 ? 0.1155 0.1871 0.4957 -0.1002 0.0219 0.0521 52 ARG C N 3405 C CA . ARG C 55 ? 0.1061 0.1541 0.4573 -0.0826 0.0254 0.0502 52 ARG C CA 3406 C C . ARG C 55 ? 0.1179 0.1563 0.4774 -0.0907 0.0266 0.0515 52 ARG C C 3407 O O . ARG C 55 ? 0.1143 0.1441 0.4662 -0.0855 0.0184 0.0448 52 ARG C O 3408 C CB . ARG C 55 ? 0.1011 0.1378 0.4310 -0.0743 0.0229 0.0417 52 ARG C CB 3409 C CG . ARG C 55 ? 0.0972 0.1434 0.4260 -0.0735 0.0239 0.0433 52 ARG C CG 3410 C CD . ARG C 55 ? 0.0561 0.0704 0.3076 -0.0213 0.0122 0.0297 52 ARG C CD 3411 N NE . ARG C 55 ? 0.0387 0.0412 0.2549 0.0015 0.0125 0.0265 52 ARG C NE 3412 C CZ . ARG C 55 ? 0.0913 0.1199 0.3826 -0.0609 0.0248 0.0357 52 ARG C CZ 3413 N NH1 . ARG C 55 ? 0.0381 0.0390 0.1155 0.0004 0.0033 0.0090 52 ARG C NH1 3414 N NH2 . ARG C 55 ? 0.0634 0.0741 0.3117 -0.0251 0.0223 0.0318 52 ARG C NH2 3415 N N . ARG C 56 ? 0.0973 0.1241 0.4265 -0.0632 0.0287 0.0533 53 ARG C N 3416 C CA . ARG C 56 ? 0.0981 0.1155 0.4241 -0.0596 0.0287 0.0544 53 ARG C CA 3417 C C . ARG C 56 ? 0.1125 0.1224 0.4409 -0.0685 0.0372 0.0565 53 ARG C C 3418 O O . ARG C 56 ? 0.1016 0.1138 0.4170 -0.0567 0.0410 0.0577 53 ARG C O 3419 C CB . ARG C 56 ? 0.0974 0.1223 0.4329 -0.0599 0.0304 0.0645 53 ARG C CB 3420 C CG . ARG C 56 ? 0.2452 0.2691 0.6394 -0.1152 0.0403 0.0786 53 ARG C CG 3421 C CD . ARG C 56 ? 0.3741 0.4098 0.7847 -0.1217 0.0449 0.0931 53 ARG C CD 3422 N NE . ARG C 56 ? 0.5333 0.5677 0.9359 -0.1165 0.0539 0.1027 53 ARG C NE 3423 C CZ . ARG C 56 ? 0.7320 0.7478 1.1245 -0.1149 0.0544 0.1027 53 ARG C CZ 3424 N NH1 . ARG C 56 ? 0.5494 0.5451 0.9388 -0.1173 0.0468 0.0936 53 ARG C NH1 3425 N NH2 . ARG C 56 ? 0.5820 0.6006 0.9670 -0.1098 0.0624 0.1120 53 ARG C NH2 3426 N N . PHE C 57 ? 0.0853 0.0854 0.3831 -0.0395 0.0283 0.0455 54 PHE C N 3427 C CA . PHE C 57 ? 0.0721 0.0690 0.3522 -0.0243 0.0296 0.0418 54 PHE C CA 3428 C C . PHE C 57 ? 0.1025 0.0903 0.4071 -0.0479 0.0339 0.0516 54 PHE C C 3429 O O . PHE C 57 ? 0.1045 0.0886 0.4153 -0.0498 0.0281 0.0487 54 PHE C O 3430 C CB . PHE C 57 ? 0.0745 0.0668 0.3488 -0.0260 0.0290 0.0336 54 PHE C CB 3431 C CG . PHE C 57 ? 0.0710 0.0608 0.3368 -0.0205 0.0319 0.0321 54 PHE C CG 3432 C CD1 . PHE C 57 ? 0.0781 0.0659 0.3423 -0.0246 0.0379 0.0357 54 PHE C CD1 3433 C CD2 . PHE C 57 ? 0.0769 0.0612 0.3467 -0.0239 0.0308 0.0303 54 PHE C CD2 3434 C CE1 . PHE C 57 ? 0.0808 0.0643 0.3399 -0.0241 0.0406 0.0352 54 PHE C CE1 3435 C CE2 . PHE C 57 ? 0.0963 0.0687 0.3694 -0.0349 0.0358 0.0333 54 PHE C CE2 3436 C CZ . PHE C 57 ? 0.0749 0.0580 0.3314 -0.0190 0.0375 0.0316 54 PHE C CZ 3437 N N . ASP C 58 ? 0.0781 0.0730 0.3642 -0.0256 0.0343 0.0527 55 ASP C N 3438 C CA . ASP C 58 ? 0.0824 0.0752 0.3747 -0.0273 0.0340 0.0586 55 ASP C CA 3439 C C . ASP C 58 ? 0.1192 0.0900 0.4238 -0.0511 0.0388 0.0610 55 ASP C C 3440 O O . ASP C 58 ? 0.1227 0.0895 0.4190 -0.0514 0.0431 0.0594 55 ASP C O 3441 C CB . ASP C 58 ? 0.0983 0.0920 0.3980 -0.0377 0.0433 0.0731 55 ASP C CB 3442 C CG . ASP C 58 ? 0.2022 0.1723 0.5514 -0.0979 0.0597 0.1041 55 ASP C CG 3443 O OD1 . ASP C 58 ? 0.1863 0.1424 0.5278 -0.0950 0.0586 0.1050 55 ASP C OD1 3444 O OD2 . ASP C 58 ? 0.3346 0.3141 0.7004 -0.1061 0.0600 0.1123 55 ASP C OD2 3445 N N . PRO C 59 ? 0.0880 0.0691 0.3843 -0.0290 0.0285 0.0523 56 PRO C N 3446 C CA . PRO C 59 ? 0.0785 0.0599 0.3685 -0.0210 0.0259 0.0456 56 PRO C CA 3447 C C . PRO C 59 ? 0.1025 0.0694 0.3935 -0.0325 0.0329 0.0548 56 PRO C C 3448 O O . PRO C 59 ? 0.1035 0.0657 0.3891 -0.0313 0.0328 0.0497 56 PRO C O 3449 C CB . PRO C 59 ? 0.1065 0.0698 0.4173 -0.0379 0.0224 0.0509 56 PRO C CB 3450 C CG . PRO C 59 ? 0.1482 0.0918 0.4830 -0.0678 0.0238 0.0583 56 PRO C CG 3451 C CD . PRO C 59 ? 0.1034 0.0786 0.4179 -0.0415 0.0248 0.0569 56 PRO C CD 3452 N N . GLN C 60 ? 0.0662 0.0584 0.3454 -0.0101 0.0312 0.0564 57 GLN C N 3453 C CA . GLN C 60 ? 0.0622 0.0577 0.3339 -0.0056 0.0339 0.0598 57 GLN C CA 3454 C C . GLN C 60 ? 0.1149 0.0778 0.3891 -0.0345 0.0461 0.0679 57 GLN C C 3455 O O . GLN C 60 ? 0.1264 0.0794 0.3959 -0.0378 0.0483 0.0709 57 GLN C O 3456 C CB . GLN C 60 ? 0.0756 0.0694 0.3525 -0.0120 0.0386 0.0746 57 GLN C CB 3457 C CG . GLN C 60 ? 0.0530 0.0615 0.3187 0.0034 0.0367 0.0741 57 GLN C CG 3458 C CD . GLN C 60 ? 0.1727 0.1047 0.4653 -0.0578 0.0527 0.1080 57 GLN C CD 3459 O OE1 . GLN C 60 ? 0.1361 0.0867 0.4121 -0.0363 0.0472 0.0940 57 GLN C OE1 3460 N NE2 . GLN C 60 ? 0.0398 0.0515 0.2449 0.0050 0.0194 0.0528 57 GLN C NE2 3461 N N . PHE C 61 ? 0.0795 0.0632 0.3408 -0.0155 0.0425 0.0551 58 PHE C N 3462 C CA . PHE C 61 ? 0.0760 0.0595 0.3265 -0.0127 0.0445 0.0491 58 PHE C CA 3463 C C . PHE C 61 ? 0.1318 0.0778 0.3973 -0.0452 0.0490 0.0540 58 PHE C C 3464 O O . PHE C 61 ? 0.1461 0.0801 0.4071 -0.0509 0.0515 0.0550 58 PHE C O 3465 C CB . PHE C 61 ? 0.0855 0.0659 0.3391 -0.0201 0.0481 0.0496 58 PHE C CB 3466 C CG . PHE C 61 ? 0.1004 0.0802 0.3603 -0.0295 0.0560 0.0611 58 PHE C CG 3467 C CD1 . PHE C 61 ? 0.1223 0.0953 0.3828 -0.0414 0.0659 0.0718 58 PHE C CD1 3468 C CD2 . PHE C 61 ? 0.1233 0.1026 0.4042 -0.0494 0.0621 0.0717 58 PHE C CD2 3469 C CE1 . PHE C 61 ? 0.1337 0.1140 0.4007 -0.0497 0.0761 0.0836 58 PHE C CE1 3470 C CE2 . PHE C 61 ? 0.1463 0.1340 0.4394 -0.0625 0.0737 0.0855 58 PHE C CE2 3471 C CZ . PHE C 61 ? 0.1312 0.1229 0.4101 -0.0523 0.0776 0.0871 58 PHE C CZ 3472 N N . ALA C 62 ? 0.0882 0.0591 0.3478 -0.0218 0.0391 0.0400 59 ALA C N 3473 C CA . ALA C 62 ? 0.0838 0.0543 0.3422 -0.0193 0.0357 0.0325 59 ALA C CA 3474 C C . ALA C 62 ? 0.1176 0.0617 0.3847 -0.0337 0.0370 0.0400 59 ALA C C 3475 O O . ALA C 62 ? 0.1134 0.0581 0.3750 -0.0303 0.0362 0.0357 59 ALA C O 3476 C CB . ALA C 62 ? 0.0930 0.0568 0.3606 -0.0261 0.0328 0.0284 59 ALA C CB 3477 N N . LEU C 63 ? 0.0803 0.0526 0.3455 -0.0148 0.0326 0.0401 60 LEU C N 3478 C CA . LEU C 63 ? 0.0874 0.0534 0.3560 -0.0162 0.0313 0.0446 60 LEU C CA 3479 C C . LEU C 63 ? 0.1278 0.0632 0.3923 -0.0312 0.0379 0.0566 60 LEU C C 3480 O O . LEU C 63 ? 0.1275 0.0600 0.3891 -0.0279 0.0358 0.0556 60 LEU C O 3481 C CB . LEU C 63 ? 0.1068 0.0596 0.3880 -0.0244 0.0304 0.0553 60 LEU C CB 3482 C CG . LEU C 63 ? 0.1724 0.0732 0.4754 -0.0548 0.0305 0.0618 60 LEU C CG 3483 C CD1 . LEU C 63 ? 0.1850 0.0821 0.5001 -0.0634 0.0312 0.0740 60 LEU C CD1 3484 C CD2 . LEU C 63 ? 0.2265 0.0839 0.5389 -0.0671 0.0263 0.0594 60 LEU C CD2 3485 N N . THR C 64 ? 0.0797 0.0551 0.3309 -0.0108 0.0378 0.0509 61 THR C N 3486 C CA . THR C 64 ? 0.0712 0.0536 0.3105 -0.0053 0.0397 0.0512 61 THR C CA 3487 C C . THR C 64 ? 0.0841 0.0540 0.3188 -0.0116 0.0406 0.0465 61 THR C C 3488 O O . THR C 64 ? 0.0762 0.0514 0.3050 -0.0072 0.0389 0.0450 61 THR C O 3489 C CB . THR C 64 ? 0.1633 0.0884 0.4119 -0.0467 0.0567 0.0809 61 THR C CB 3490 O OG1 . THR C 64 ? 0.2082 0.1337 0.4630 -0.0498 0.0593 0.0941 61 THR C OG1 3491 C CG2 . THR C 64 ? 0.1433 0.0807 0.3756 -0.0358 0.0573 0.0773 61 THR C CG2 3492 N N . ASN C 65 ? 0.0432 0.0420 0.2502 0.0045 0.0332 0.0290 62 ASN C N 3493 C CA . ASN C 65 ? 0.0428 0.0405 0.2317 0.0035 0.0305 0.0220 62 ASN C CA 3494 C C . ASN C 65 ? 0.0427 0.0404 0.2679 0.0034 0.0329 0.0235 62 ASN C C 3495 O O . ASN C 65 ? 0.0468 0.0410 0.2728 0.0015 0.0330 0.0231 62 ASN C O 3496 C CB . ASN C 65 ? 0.0430 0.0398 0.2404 0.0030 0.0319 0.0191 62 ASN C CB 3497 C CG . ASN C 65 ? 0.1326 0.0691 0.3752 -0.0430 0.0479 0.0382 62 ASN C CG 3498 O OD1 . ASN C 65 ? 0.0438 0.0402 0.2115 0.0036 0.0318 0.0196 62 ASN C OD1 3499 N ND2 . ASN C 65 ? 0.0419 0.0389 0.1703 0.0018 0.0226 0.0108 62 ASN C ND2 3500 N N . ILE C 66 ? 0.0409 0.0397 0.2103 0.0022 0.0225 0.0169 63 ILE C N 3501 C CA . ILE C 66 ? 0.0404 0.0393 0.2113 0.0018 0.0202 0.0150 63 ILE C CA 3502 C C . ILE C 66 ? 0.0408 0.0405 0.2613 0.0026 0.0251 0.0236 63 ILE C C 3503 O O . ILE C 66 ? 0.0406 0.0401 0.2699 0.0024 0.0245 0.0223 63 ILE C O 3504 C CB . ILE C 66 ? 0.0404 0.0393 0.2663 0.0018 0.0236 0.0174 63 ILE C CB 3505 C CG1 . ILE C 66 ? 0.0407 0.0387 0.2739 0.0014 0.0251 0.0132 63 ILE C CG1 3506 C CG2 . ILE C 66 ? 0.0398 0.0389 0.2582 0.0012 0.0198 0.0138 63 ILE C CG2 3507 C CD1 . ILE C 66 ? 0.0635 0.0424 0.3159 -0.0084 0.0294 0.0107 63 ILE C CD1 3508 N N . ALA C 67 ? 0.0401 0.0408 0.1958 0.0024 0.0184 0.0210 64 ALA C N 3509 C CA . ALA C 67 ? 0.0399 0.0416 0.1862 0.0026 0.0170 0.0231 64 ALA C CA 3510 C C . ALA C 67 ? 0.0407 0.0424 0.2235 0.0034 0.0224 0.0285 64 ALA C C 3511 O O . ALA C 67 ? 0.0403 0.0425 0.2236 0.0032 0.0205 0.0290 64 ALA C O 3512 C CB . ALA C 67 ? 0.0404 0.0438 0.2000 0.0037 0.0196 0.0307 64 ALA C CB 3513 N N . VAL C 68 ? 0.0404 0.0408 0.1700 0.0026 0.0178 0.0193 65 VAL C N 3514 C CA . VAL C 68 ? 0.0404 0.0403 0.1659 0.0024 0.0174 0.0173 65 VAL C CA 3515 C C . VAL C 68 ? 0.0520 0.0421 0.2709 -0.0007 0.0273 0.0258 65 VAL C C 3516 O O . VAL C 68 ? 0.0684 0.0440 0.2860 -0.0063 0.0254 0.0274 65 VAL C O 3517 C CB . VAL C 68 ? 0.0416 0.0405 0.1925 0.0030 0.0238 0.0197 65 VAL C CB 3518 C CG1 . VAL C 68 ? 0.0412 0.0397 0.1802 0.0023 0.0212 0.0157 65 VAL C CG1 3519 C CG2 . VAL C 68 ? 0.0423 0.0414 0.1826 0.0039 0.0250 0.0223 65 VAL C CG2 3520 N N . LEU C 69 ? 0.0410 0.0397 0.2456 0.0022 0.0249 0.0187 66 LEU C N 3521 C CA . LEU C 69 ? 0.0405 0.0390 0.2466 0.0016 0.0230 0.0142 66 LEU C CA 3522 C C . LEU C 69 ? 0.0973 0.0453 0.3383 -0.0159 0.0243 0.0229 66 LEU C C 3523 O O . LEU C 69 ? 0.1162 0.0578 0.3597 -0.0194 0.0222 0.0207 66 LEU C O 3524 C CB . LEU C 69 ? 0.0407 0.0385 0.2440 0.0012 0.0236 0.0106 66 LEU C CB 3525 C CG . LEU C 69 ? 0.0460 0.0394 0.2767 -0.0010 0.0291 0.0091 66 LEU C CG 3526 C CD1 . LEU C 69 ? 0.0473 0.0398 0.2723 -0.0010 0.0312 0.0114 66 LEU C CD1 3527 C CD2 . LEU C 69 ? 0.0416 0.0381 0.2729 0.0005 0.0291 0.0043 66 LEU C CD2 3528 N N . LYS C 70 ? 0.0649 0.0416 0.3065 -0.0041 0.0226 0.0240 67 LYS C N 3529 C CA . LYS C 70 ? 0.0696 0.0414 0.3161 -0.0029 0.0192 0.0270 67 LYS C CA 3530 C C . LYS C 70 ? 0.1217 0.0479 0.3609 -0.0077 0.0176 0.0365 67 LYS C C 3531 O O . LYS C 70 ? 0.1416 0.0742 0.3837 -0.0023 0.0135 0.0342 67 LYS C O 3532 C CB . LYS C 70 ? 0.1124 0.0436 0.3630 -0.0073 0.0197 0.0374 67 LYS C CB 3533 C CG . LYS C 70 ? 0.1756 0.0724 0.4294 -0.0032 0.0155 0.0455 67 LYS C CG 3534 C CD . LYS C 70 ? 0.2103 0.0904 0.4686 -0.0045 0.0153 0.0547 67 LYS C CD 3535 C CE . LYS C 70 ? 0.3223 0.1953 0.5814 0.0030 0.0108 0.0633 67 LYS C CE 3536 N NZ . LYS C 70 ? 0.4258 0.2809 0.6910 0.0005 0.0102 0.0740 67 LYS C NZ 3537 N N . HIS C 71 ? 0.0658 0.0432 0.2947 -0.0018 0.0186 0.0341 68 HIS C N 3538 C CA . HIS C 71 ? 0.0621 0.0437 0.2815 -0.0006 0.0162 0.0361 68 HIS C CA 3539 C C . HIS C 71 ? 0.1117 0.0577 0.3321 -0.0086 0.0142 0.0341 68 HIS C C 3540 O O . HIS C 71 ? 0.1076 0.0618 0.3275 -0.0046 0.0091 0.0329 68 HIS C O 3541 C CB . HIS C 71 ? 0.0706 0.0458 0.2786 -0.0017 0.0198 0.0409 68 HIS C CB 3542 C CG . HIS C 71 ? 0.1111 0.0533 0.3065 -0.0060 0.0182 0.0471 68 HIS C CG 3543 N ND1 . HIS C 71 ? 0.1444 0.0894 0.3307 0.0000 0.0157 0.0544 68 HIS C ND1 3544 C CD2 . HIS C 71 ? 0.1136 0.0615 0.3048 -0.0086 0.0167 0.0386 68 HIS C CD2 3545 C CE1 . HIS C 71 ? 0.1318 0.0849 0.3078 0.0012 0.0125 0.0488 68 HIS C CE1 3546 N NE2 . HIS C 71 ? 0.1211 0.0750 0.3003 -0.0042 0.0128 0.0391 68 HIS C NE2 3547 N N . ASN C 72 ? 0.0769 0.0435 0.2987 -0.0089 0.0165 0.0259 69 ASN C N 3548 C CA . ASN C 72 ? 0.0688 0.0438 0.2919 -0.0104 0.0142 0.0191 69 ASN C CA 3549 C C . ASN C 72 ? 0.1247 0.0911 0.3615 -0.0164 0.0123 0.0174 69 ASN C C 3550 O O . ASN C 72 ? 0.1256 0.1033 0.3646 -0.0170 0.0082 0.0142 69 ASN C O 3551 C CB . ASN C 72 ? 0.0392 0.0387 0.2406 0.0009 0.0154 0.0119 69 ASN C CB 3552 C CG . ASN C 72 ? 0.1129 0.0625 0.3304 -0.0272 0.0208 0.0191 69 ASN C CG 3553 O OD1 . ASN C 72 ? 0.0392 0.0390 0.2012 0.0011 0.0142 0.0127 69 ASN C OD1 3554 N ND2 . ASN C 72 ? 0.0395 0.0384 0.2007 0.0008 0.0157 0.0079 69 ASN C ND2 3555 N N . LEU C 73 ? 0.0840 0.0463 0.3280 -0.0137 0.0142 0.0173 70 LEU C N 3556 C CA . LEU C 73 ? 0.0749 0.0471 0.3291 -0.0100 0.0125 0.0127 70 LEU C CA 3557 C C . LEU C 73 ? 0.1241 0.1030 0.3796 -0.0028 0.0071 0.0145 70 LEU C C 3558 O O . LEU C 73 ? 0.1199 0.1147 0.3821 -0.0023 0.0046 0.0107 70 LEU C O 3559 C CB . LEU C 73 ? 0.0784 0.0431 0.3387 -0.0073 0.0149 0.0104 70 LEU C CB 3560 C CG . LEU C 73 ? 0.1313 0.1074 0.4016 -0.0012 0.0136 0.0040 70 LEU C CG 3561 C CD1 . LEU C 73 ? 0.1270 0.1212 0.4015 -0.0062 0.0159 -0.0011 70 LEU C CD1 3562 C CD2 . LEU C 73 ? 0.1392 0.1036 0.4138 0.0039 0.0140 0.0011 70 LEU C CD2 3563 N N . ASN C 74 ? 0.0942 0.0632 0.3438 0.0022 0.0051 0.0213 71 ASN C N 3564 C CA . ASN C 74 ? 0.1116 0.0872 0.3615 0.0097 -0.0007 0.0243 71 ASN C CA 3565 C C . ASN C 74 ? 0.1365 0.1268 0.3827 0.0068 -0.0049 0.0219 71 ASN C C 3566 O O . ASN C 74 ? 0.1417 0.1456 0.3941 0.0112 -0.0099 0.0203 71 ASN C O 3567 C CB . ASN C 74 ? 0.2006 0.1630 0.4430 0.0148 -0.0018 0.0341 71 ASN C CB 3568 C CG . ASN C 74 ? 0.7046 0.6525 0.9540 0.0193 -0.0009 0.0372 71 ASN C CG 3569 O OD1 . ASN C 74 ? 0.6555 0.6052 0.9157 0.0232 -0.0016 0.0310 71 ASN C OD1 3570 N ND2 . ASN C 74 ? 0.6572 0.5907 0.9009 0.0191 0.0005 0.0467 71 ASN C ND2 3571 N N . ILE C 75 ? 0.0762 0.0640 0.3136 -0.0003 -0.0033 0.0209 72 ILE C N 3572 C CA . ILE C 75 ? 0.0822 0.0808 0.3162 -0.0038 -0.0083 0.0172 72 ILE C CA 3573 C C . ILE C 75 ? 0.1345 0.1468 0.3811 -0.0098 -0.0089 0.0109 72 ILE C C 3574 O O . ILE C 75 ? 0.1339 0.1607 0.3854 -0.0104 -0.0149 0.0084 72 ILE C O 3575 C CB . ILE C 75 ? 0.1221 0.1117 0.3423 -0.0080 -0.0067 0.0173 72 ILE C CB 3576 C CG1 . ILE C 75 ? 0.1342 0.1180 0.3413 -0.0013 -0.0075 0.0245 72 ILE C CG1 3577 C CG2 . ILE C 75 ? 0.1267 0.1235 0.3454 -0.0142 -0.0115 0.0105 72 ILE C CG2 3578 C CD1 . ILE C 75 ? 0.1930 0.1670 0.3877 -0.0032 -0.0027 0.0264 72 ILE C CD1 3579 N N . VAL C 76 ? 0.0784 0.0879 0.3306 -0.0144 -0.0031 0.0089 73 VAL C N 3580 C CA . VAL C 76 ? 0.0655 0.0890 0.3289 -0.0207 -0.0026 0.0049 73 VAL C CA 3581 C C . VAL C 76 ? 0.1110 0.1515 0.3874 -0.0146 -0.0037 0.0036 73 VAL C C 3582 O O . VAL C 76 ? 0.1205 0.1791 0.4063 -0.0183 -0.0065 0.0017 73 VAL C O 3583 C CB . VAL C 76 ? 0.1063 0.1228 0.3695 -0.0274 0.0037 0.0041 73 VAL C CB 3584 C CG1 . VAL C 76 ? 0.1002 0.1326 0.3745 -0.0342 0.0045 0.0021 73 VAL C CG1 3585 C CG2 . VAL C 76 ? 0.1018 0.1043 0.3536 -0.0321 0.0039 0.0049 73 VAL C CG2 3586 N N . ILE C 77 ? 0.0448 0.0801 0.3225 -0.0051 -0.0023 0.0046 74 ILE C N 3587 C CA . ILE C 77 ? 0.0382 0.0744 0.3132 0.0023 -0.0037 0.0025 74 ILE C CA 3588 C C . ILE C 77 ? 0.0717 0.1388 0.3656 0.0052 -0.0114 0.0035 74 ILE C C 3589 O O . ILE C 77 ? 0.0695 0.1587 0.3760 0.0053 -0.0127 0.0010 74 ILE C O 3590 C CB . ILE C 77 ? 0.0628 0.1004 0.3523 0.0142 -0.0032 0.0034 74 ILE C CB 3591 C CG1 . ILE C 77 ? 0.0572 0.0812 0.3450 0.0122 0.0030 0.0008 74 ILE C CG1 3592 C CG2 . ILE C 77 ? 0.0517 0.1052 0.3536 0.0252 -0.0060 0.0007 74 ILE C CG2 3593 C CD1 . ILE C 77 ? 0.0872 0.0902 0.3723 0.0196 0.0025 0.0033 74 ILE C CD1 3594 N N . LYS C 78 ? 0.0397 0.0937 0.3190 0.0063 -0.0159 0.0073 75 LYS C N 3595 C CA . LYS C 78 ? 0.0451 0.1165 0.3291 0.0088 -0.0245 0.0082 75 LYS C CA 3596 C C . LYS C 78 ? 0.1005 0.1879 0.3911 -0.0020 -0.0275 0.0042 75 LYS C C 3597 O O . LYS C 78 ? 0.1019 0.2112 0.4048 -0.0013 -0.0323 0.0029 75 LYS C O 3598 C CB . LYS C 78 ? 0.0874 0.1442 0.3547 0.0117 -0.0279 0.0130 75 LYS C CB 3599 C CG . LYS C 78 ? 0.2913 0.3617 0.5564 0.0141 -0.0375 0.0134 75 LYS C CG 3600 C CD . LYS C 78 ? 0.4411 0.4985 0.6874 0.0178 -0.0399 0.0185 75 LYS C CD 3601 C CE . LYS C 78 ? 0.5377 0.6086 0.7786 0.0190 -0.0499 0.0173 75 LYS C CE 3602 N NZ . LYS C 78 ? 0.6668 0.7269 0.8871 0.0229 -0.0512 0.0221 75 LYS C NZ 3603 N N . ARG C 79 ? 0.0490 0.1254 0.3326 -0.0121 -0.0249 0.0027 76 ARG C N 3604 C CA . ARG C 79 ? 0.0459 0.1215 0.3247 -0.0212 -0.0270 -0.0003 76 ARG C CA 3605 C C . ARG C 79 ? 0.0965 0.2008 0.4032 -0.0288 -0.0244 -0.0011 76 ARG C C 3606 O O . ARG C 79 ? 0.0977 0.2184 0.4153 -0.0368 -0.0289 -0.0021 76 ARG C O 3607 C CB . ARG C 79 ? 0.0457 0.0756 0.2814 -0.0147 -0.0217 0.0000 76 ARG C CB 3608 C CG . ARG C 79 ? 0.1021 0.1696 0.3818 -0.0424 -0.0304 -0.0050 76 ARG C CG 3609 C CD . ARG C 79 ? 0.1257 0.1745 0.3978 -0.0486 -0.0255 -0.0055 76 ARG C CD 3610 N NE . ARG C 79 ? 0.1491 0.1803 0.4032 -0.0432 -0.0256 -0.0062 76 ARG C NE 3611 C CZ . ARG C 79 ? 0.2128 0.2273 0.4576 -0.0430 -0.0195 -0.0052 76 ARG C CZ 3612 N NH1 . ARG C 79 ? 0.0382 0.0380 0.1065 0.0000 -0.0036 -0.0003 76 ARG C NH1 3613 N NH2 . ARG C 79 ? 0.1961 0.1988 0.4254 -0.0374 -0.0192 -0.0051 76 ARG C NH2 3614 N N . SER C 80 ? 0.0626 0.1662 0.3724 -0.0241 -0.0166 -0.0004 77 SER C N 3615 C CA . SER C 80 ? 0.0591 0.1831 0.3836 -0.0267 -0.0120 -0.0009 77 SER C CA 3616 C C . SER C 80 ? 0.1297 0.2787 0.4681 -0.0182 -0.0148 -0.0016 77 SER C C 3617 O O . SER C 80 ? 0.1210 0.2928 0.4730 -0.0192 -0.0112 -0.0019 77 SER C O 3618 C CB . SER C 80 ? 0.1041 0.2181 0.4246 -0.0238 -0.0033 -0.0016 77 SER C CB 3619 O OG . SER C 80 ? 0.2331 0.3416 0.5518 -0.0109 -0.0022 -0.0030 77 SER C OG 3620 N N . ASN C 81 ? 0.1062 0.2523 0.4408 -0.0091 -0.0210 -0.0012 78 ASN C N 3621 C CA . ASN C 81 ? 0.1141 0.2801 0.4600 0.0019 -0.0248 -0.0014 78 ASN C CA 3622 C C . ASN C 81 ? 0.1526 0.3198 0.5030 0.0133 -0.0179 -0.0036 78 ASN C C 3623 O O . ASN C 81 ? 0.1433 0.3352 0.5083 0.0194 -0.0168 -0.0055 78 ASN C O 3624 C CB . ASN C 81 ? 0.1552 0.3525 0.5181 -0.0047 -0.0297 -0.0014 78 ASN C CB 3625 C CG . ASN C 81 ? 0.6501 0.8449 1.0083 -0.0127 -0.0394 -0.0010 78 ASN C CG 3626 O OD1 . ASN C 81 ? 0.6334 0.8140 0.9788 -0.0069 -0.0448 -0.0005 78 ASN C OD1 3627 N ND2 . ASN C 81 ? 0.5735 0.7826 0.9422 -0.0263 -0.0421 -0.0012 78 ASN C ND2 3628 N N . SER C 82 ? 0.1111 0.2519 0.4490 0.0157 -0.0136 -0.0038 79 SER C N 3629 C CA . SER C 82 ? 0.1030 0.2365 0.4416 0.0255 -0.0082 -0.0071 79 SER C CA 3630 C C . SER C 82 ? 0.1357 0.2870 0.4831 0.0239 -0.0012 -0.0116 79 SER C C 3631 O O . SER C 82 ? 0.1362 0.2982 0.4912 0.0349 0.0009 -0.0160 79 SER C O 3632 C CB . SER C 82 ? 0.1341 0.2675 0.4768 0.0410 -0.0126 -0.0071 79 SER C CB 3633 O OG . SER C 82 ? 0.2026 0.3193 0.5353 0.0426 -0.0185 -0.0015 79 SER C OG 3634 N N . THR C 83 ? 0.0639 0.2171 0.4091 0.0109 0.0025 -0.0104 80 THR C N 3635 C CA . THR C 83 ? 0.0484 0.2181 0.3995 0.0081 0.0097 -0.0129 80 THR C CA 3636 C C . THR C 83 ? 0.0957 0.2453 0.4368 0.0121 0.0147 -0.0169 80 THR C C 3637 O O . THR C 83 ? 0.0826 0.2098 0.4128 0.0057 0.0152 -0.0150 80 THR C O 3638 C CB . THR C 83 ? 0.1225 0.2996 0.4749 -0.0082 0.0110 -0.0082 80 THR C CB 3639 O OG1 . THR C 83 ? 0.1396 0.3310 0.5007 -0.0139 0.0047 -0.0049 80 THR C OG1 3640 C CG2 . THR C 83 ? 0.0559 0.2539 0.4149 -0.0110 0.0180 -0.0086 80 THR C CG2 3641 N N . ALA C 84 ? 0.0631 0.2222 0.4089 0.0235 0.0178 -0.0233 81 ALA C N 3642 C CA . ALA C 84 ? 0.0687 0.2113 0.4070 0.0289 0.0214 -0.0293 81 ALA C CA 3643 C C . ALA C 84 ? 0.1102 0.2638 0.4462 0.0223 0.0281 -0.0311 81 ALA C C 3644 O O . ALA C 84 ? 0.1012 0.2786 0.4434 0.0155 0.0309 -0.0276 81 ALA C O 3645 C CB . ALA C 84 ? 0.0899 0.2339 0.4334 0.0458 0.0202 -0.0369 81 ALA C CB 3646 N N . ALA C 85 ? 0.0668 0.2025 0.3938 0.0242 0.0302 -0.0360 82 ALA C N 3647 C CA . ALA C 85 ? 0.0619 0.2072 0.3847 0.0196 0.0361 -0.0384 82 ALA C CA 3648 C C . ALA C 85 ? 0.1360 0.3136 0.4656 0.0274 0.0411 -0.0443 82 ALA C C 3649 O O . ALA C 85 ? 0.1513 0.3353 0.4860 0.0410 0.0403 -0.0520 82 ALA C O 3650 C CB . ALA C 85 ? 0.0725 0.1914 0.3848 0.0205 0.0358 -0.0432 82 ALA C CB 3651 N N . THR C 86 ? 0.0832 0.2810 0.4125 0.0189 0.0465 -0.0402 83 THR C N 3652 C CA . THR C 86 ? 0.0821 0.3126 0.4155 0.0247 0.0526 -0.0443 83 THR C CA 3653 C C . THR C 86 ? 0.1372 0.3600 0.4588 0.0294 0.0554 -0.0531 83 THR C C 3654 O O . THR C 86 ? 0.1379 0.3433 0.4505 0.0205 0.0550 -0.0499 83 THR C O 3655 C CB . THR C 86 ? 0.1774 0.4336 0.5170 0.0113 0.0567 -0.0327 83 THR C CB 3656 O OG1 . THR C 86 ? 0.1951 0.4621 0.5476 0.0085 0.0532 -0.0269 83 THR C OG1 3657 C CG2 . THR C 86 ? 0.1580 0.4490 0.4995 0.0151 0.0643 -0.0345 83 THR C CG2 3658 N N . ASN C 87 ? 0.1096 0.3463 0.4317 0.0439 0.0576 -0.0648 84 ASN C N 3659 C CA . ASN C 87 ? 0.1167 0.3471 0.4273 0.0501 0.0590 -0.0759 84 ASN C CA 3660 C C . ASN C 87 ? 0.1661 0.4271 0.4721 0.0448 0.0665 -0.0724 84 ASN C C 3661 O O . ASN C 87 ? 0.1555 0.4527 0.4690 0.0474 0.0722 -0.0696 84 ASN C O 3662 C CB . ASN C 87 ? 0.0987 0.3288 0.4111 0.0695 0.0573 -0.0920 84 ASN C CB 3663 C CG . ASN C 87 ? 0.3215 0.5201 0.6383 0.0757 0.0495 -0.0946 84 ASN C CG 3664 O OD1 . ASN C 87 ? 0.2427 0.4075 0.5542 0.0692 0.0445 -0.0921 84 ASN C OD1 3665 N ND2 . ASN C 87 ? 0.2348 0.4451 0.5621 0.0884 0.0484 -0.0985 84 ASN C ND2 3666 N N . GLU C 88 ? 0.1255 0.3732 0.4196 0.0371 0.0666 -0.0713 85 GLU C N 3667 C CA . GLU C 88 ? 0.1239 0.3976 0.4110 0.0322 0.0730 -0.0672 85 GLU C CA 3668 C C . GLU C 88 ? 0.1835 0.4672 0.4605 0.0461 0.0747 -0.0835 85 GLU C C 3669 O O . GLU C 88 ? 0.1879 0.4478 0.4617 0.0559 0.0692 -0.0974 85 GLU C O 3670 C CB . GLU C 88 ? 0.1333 0.3886 0.4130 0.0169 0.0715 -0.0566 85 GLU C CB 3671 C CG . GLU C 88 ? 0.2423 0.4985 0.5304 0.0022 0.0718 -0.0394 85 GLU C CG 3672 C CD . GLU C 88 ? 0.4860 0.7800 0.7815 -0.0036 0.0784 -0.0282 85 GLU C CD 3673 O OE1 . GLU C 88 ? 0.3914 0.7122 0.6811 -0.0002 0.0843 -0.0293 85 GLU C OE1 3674 O OE2 . GLU C 88 ? 0.4256 0.7226 0.7327 -0.0122 0.0774 -0.0178 85 GLU C OE2 3675 N N . VAL C 89 ? 0.1435 0.4621 0.4154 0.0467 0.0819 -0.0817 86 VAL C N 3676 C CA . VAL C 89 ? 0.1541 0.4848 0.4136 0.0595 0.0836 -0.0975 86 VAL C CA 3677 C C . VAL C 89 ? 0.2092 0.5209 0.4547 0.0510 0.0803 -0.0968 86 VAL C C 3678 O O . VAL C 89 ? 0.2008 0.5235 0.4433 0.0384 0.0837 -0.0819 86 VAL C O 3679 C CB . VAL C 89 ? 0.2050 0.5864 0.4646 0.0664 0.0934 -0.0967 86 VAL C CB 3680 C CG1 . VAL C 89 ? 0.2196 0.6138 0.4635 0.0804 0.0947 -0.1144 86 VAL C CG1 3681 C CG2 . VAL C 89 ? 0.1986 0.6000 0.4742 0.0753 0.0961 -0.0975 86 VAL C CG2 3682 N N . PRO C 90 ? 0.1769 0.4594 0.4149 0.0569 0.0731 -0.1117 87 PRO C N 3683 C CA . PRO C 90 ? 0.1781 0.4462 0.4042 0.0486 0.0698 -0.1107 87 PRO C CA 3684 C C . PRO C 90 ? 0.2550 0.5549 0.4668 0.0534 0.0744 -0.1157 87 PRO C C 3685 O O . PRO C 90 ? 0.2676 0.5960 0.4770 0.0663 0.0791 -0.1254 87 PRO C O 3686 C CB . PRO C 90 ? 0.2075 0.4366 0.4330 0.0531 0.0603 -0.1249 87 PRO C CB 3687 C CG . PRO C 90 ? 0.2738 0.5032 0.5058 0.0686 0.0594 -0.1387 87 PRO C CG 3688 C CD . PRO C 90 ? 0.2099 0.4719 0.4508 0.0711 0.0673 -0.1297 87 PRO C CD 3689 N N . GLU C 91 ? 0.2230 0.5200 0.4254 0.0433 0.0732 -0.1081 88 GLU C N 3690 C CA . GLU C 91 ? 0.2330 0.5584 0.4200 0.0458 0.0765 -0.1100 88 GLU C CA 3691 C C . GLU C 91 ? 0.2888 0.5922 0.4644 0.0490 0.0678 -0.1259 88 GLU C C 3692 O O . GLU C 91 ? 0.2843 0.5556 0.4635 0.0397 0.0612 -0.1222 88 GLU C O 3693 C CB . GLU C 91 ? 0.2415 0.5814 0.4276 0.0309 0.0813 -0.0864 88 GLU C CB 3694 C CG . GLU C 91 ? 0.4151 0.7699 0.6156 0.0240 0.0879 -0.0690 88 GLU C CG 3695 C CD . GLU C 91 ? 0.8362 1.1950 1.0394 0.0077 0.0905 -0.0453 88 GLU C CD 3696 O OE1 . GLU C 91 ? 0.8522 1.1877 1.0508 -0.0005 0.0854 -0.0403 88 GLU C OE1 3697 O OE2 . GLU C 91 ? 0.8196 1.2039 1.0312 0.0029 0.0973 -0.0314 88 GLU C OE2 3698 N N . VAL C 92 ? 0.2498 0.5703 0.4126 0.0624 0.0672 -0.1445 89 VAL C N 3699 C CA . VAL C 92 ? 0.2575 0.5563 0.4107 0.0652 0.0573 -0.1615 89 VAL C CA 3700 C C . VAL C 92 ? 0.3073 0.6336 0.4417 0.0658 0.0583 -0.1626 89 VAL C C 3701 O O . VAL C 92 ? 0.3063 0.6712 0.4314 0.0739 0.0660 -0.1635 89 VAL C O 3702 C CB . VAL C 92 ? 0.3254 0.6079 0.4799 0.0807 0.0513 -0.1871 89 VAL C CB 3703 C CG1 . VAL C 92 ? 0.3384 0.5941 0.4860 0.0809 0.0394 -0.2038 89 VAL C CG1 3704 C CG2 . VAL C 92 ? 0.3129 0.5704 0.4854 0.0807 0.0503 -0.1841 89 VAL C CG2 3705 N N . THR C 93 ? 0.2622 0.5699 0.3917 0.0571 0.0506 -0.1616 90 THR C N 3706 C CA . THR C 93 ? 0.2681 0.5962 0.3802 0.0564 0.0489 -0.1626 90 THR C CA 3707 C C . THR C 93 ? 0.3317 0.6321 0.4399 0.0573 0.0358 -0.1814 90 THR C C 3708 O O . THR C 93 ? 0.3200 0.5845 0.4410 0.0491 0.0292 -0.1797 90 THR C O 3709 C CB . THR C 93 ? 0.3397 0.6773 0.4525 0.0419 0.0533 -0.1355 90 THR C CB 3710 O OG1 . THR C 93 ? 0.3457 0.7062 0.4647 0.0403 0.0643 -0.1190 90 THR C OG1 3711 C CG2 . THR C 93 ? 0.3293 0.6910 0.4237 0.0417 0.0518 -0.1338 90 THR C CG2 3712 N N . VAL C 94 ? 0.2998 0.6182 0.3907 0.0673 0.0319 -0.1996 91 VAL C N 3713 C CA . VAL C 94 ? 0.3079 0.6035 0.3944 0.0683 0.0184 -0.2195 91 VAL C CA 3714 C C . VAL C 94 ? 0.3436 0.6632 0.4123 0.0658 0.0155 -0.2174 91 VAL C C 3715 O O . VAL C 94 ? 0.3463 0.7046 0.3986 0.0736 0.0221 -0.2170 91 VAL C O 3716 C CB . VAL C 94 ? 0.3827 0.6685 0.4667 0.0844 0.0126 -0.2496 91 VAL C CB 3717 C CG1 . VAL C 94 ? 0.3990 0.6579 0.4810 0.0831 -0.0028 -0.2694 91 VAL C CG1 3718 C CG2 . VAL C 94 ? 0.3701 0.6329 0.4723 0.0873 0.0154 -0.2493 91 VAL C CG2 3719 N N . PHE C 95 ? 0.2739 0.5722 0.3466 0.0547 0.0059 -0.2146 92 PHE C N 3720 C CA . PHE C 95 ? 0.2679 0.5847 0.3263 0.0509 0.0011 -0.2113 92 PHE C CA 3721 C C . PHE C 95 ? 0.3230 0.6098 0.3883 0.0436 -0.0134 -0.2218 92 PHE C C 3722 O O . PHE C 95 ? 0.2963 0.5481 0.3796 0.0382 -0.0175 -0.2239 92 PHE C O 3723 C CB . PHE C 95 ? 0.2637 0.5971 0.3231 0.0402 0.0097 -0.1802 92 PHE C CB 3724 C CG . PHE C 95 ? 0.2553 0.5592 0.3359 0.0272 0.0115 -0.1614 92 PHE C CG 3725 C CD1 . PHE C 95 ? 0.2790 0.5761 0.3717 0.0268 0.0204 -0.1522 92 PHE C CD1 3726 C CD2 . PHE C 95 ? 0.2731 0.5584 0.3610 0.0160 0.0042 -0.1529 92 PHE C CD2 3727 C CE1 . PHE C 95 ? 0.2665 0.5372 0.3770 0.0157 0.0215 -0.1363 92 PHE C CE1 3728 C CE2 . PHE C 95 ? 0.2919 0.5518 0.3981 0.0054 0.0062 -0.1367 92 PHE C CE2 3729 C CZ . PHE C 95 ? 0.2538 0.5063 0.3701 0.0054 0.0148 -0.1287 92 PHE C CZ 3730 N N . SER C 96 ? 0.3134 0.6156 0.3650 0.0431 -0.0212 -0.2275 93 SER C N 3731 C CA . SER C 96 ? 0.3233 0.6021 0.3818 0.0352 -0.0357 -0.2368 93 SER C CA 3732 C C . SER C 96 ? 0.3522 0.6267 0.4208 0.0207 -0.0354 -0.2115 93 SER C C 3733 O O . SER C 96 ? 0.3297 0.6275 0.3917 0.0187 -0.0266 -0.1904 93 SER C O 3734 C CB . SER C 96 ? 0.3966 0.6946 0.4354 0.0429 -0.0462 -0.2587 93 SER C CB 3735 O OG . SER C 96 ? 0.5111 0.8455 0.5328 0.0428 -0.0427 -0.2448 93 SER C OG 3736 N N . LYS C 97 ? 0.3107 0.5556 0.3958 0.0109 -0.0451 -0.2137 94 LYS C N 3737 C CA . LYS C 97 ? 0.2899 0.5277 0.3870 -0.0020 -0.0466 -0.1934 94 LYS C CA 3738 C C . LYS C 97 ? 0.3556 0.6217 0.4383 -0.0027 -0.0518 -0.1893 94 LYS C C 3739 O O . LYS C 97 ? 0.3386 0.6168 0.4213 -0.0077 -0.0462 -0.1663 94 LYS C O 3740 C CB . LYS C 97 ? 0.3216 0.5248 0.4393 -0.0108 -0.0567 -0.2007 94 LYS C CB 3741 C CG . LYS C 97 ? 0.4291 0.6202 0.5639 -0.0232 -0.0546 -0.1781 94 LYS C CG 3742 C CD . LYS C 97 ? 0.5571 0.7406 0.7016 -0.0317 -0.0678 -0.1833 94 LYS C CD 3743 C CE . LYS C 97 ? 0.7017 0.8603 0.8698 -0.0429 -0.0673 -0.1699 94 LYS C CE 3744 N NZ . LYS C 97 ? 0.7820 0.9482 0.9532 -0.0467 -0.0574 -0.1439 94 LYS C NZ 3745 N N . SER C 98 ? 0.3472 0.6233 0.4174 0.0028 -0.0630 -0.2118 95 SER C N 3746 C CA . SER C 98 ? 0.3667 0.6708 0.4218 0.0031 -0.0699 -0.2107 95 SER C CA 3747 C C . SER C 98 ? 0.4565 0.7901 0.4848 0.0171 -0.0710 -0.2298 95 SER C C 3748 O O . SER C 98 ? 0.4688 0.7960 0.4938 0.0262 -0.0684 -0.2471 95 SER C O 3749 C CB . SER C 98 ? 0.4247 0.7128 0.4926 -0.0059 -0.0855 -0.2196 95 SER C CB 3750 O OG . SER C 98 ? 0.5801 0.8531 0.6480 -0.0022 -0.0970 -0.2493 95 SER C OG 3751 N N . PRO C 99 ? 0.4308 0.7980 0.4393 0.0204 -0.0748 -0.2274 96 PRO C N 3752 C CA . PRO C 99 ? 0.4568 0.8539 0.4384 0.0348 -0.0757 -0.2469 96 PRO C CA 3753 C C . PRO C 99 ? 0.5288 0.9097 0.5087 0.0399 -0.0905 -0.2824 96 PRO C C 3754 O O . PRO C 99 ? 0.5237 0.8853 0.5161 0.0312 -0.1046 -0.2908 96 PRO C O 3755 C CB . PRO C 99 ? 0.4867 0.9201 0.4500 0.0350 -0.0778 -0.2333 96 PRO C CB 3756 C CG . PRO C 99 ? 0.5289 0.9456 0.5111 0.0212 -0.0855 -0.2188 96 PRO C CG 3757 C CD . PRO C 99 ? 0.4443 0.8249 0.4534 0.0123 -0.0786 -0.2075 96 PRO C CD 3758 N N . VAL C 100 ? 0.5047 0.8929 0.4711 0.0540 -0.0871 -0.3030 97 VAL C N 3759 C CA . VAL C 100 ? 0.5309 0.9018 0.4947 0.0619 -0.0994 -0.3388 97 VAL C CA 3760 C C . VAL C 100 ? 0.6093 0.9940 0.5581 0.0634 -0.1169 -0.3592 97 VAL C C 3761 O O . VAL C 100 ? 0.6243 1.0481 0.5462 0.0731 -0.1162 -0.3628 97 VAL C O 3762 C CB . VAL C 100 ? 0.5955 0.9795 0.5448 0.0795 -0.0896 -0.3538 97 VAL C CB 3763 C CG1 . VAL C 100 ? 0.6281 0.9952 0.5723 0.0901 -0.1032 -0.3929 97 VAL C CG1 3764 C CG2 . VAL C 100 ? 0.5657 0.9330 0.5328 0.0776 -0.0747 -0.3365 97 VAL C CG2 3765 N N . THR C 101 ? 0.5697 0.9222 0.5365 0.0535 -0.1329 -0.3726 98 THR C N 3766 C CA . THR C 101 ? 0.5931 0.9502 0.5516 0.0528 -0.1527 -0.3959 98 THR C CA 3767 C C . THR C 101 ? 0.6663 0.9882 0.6335 0.0568 -0.1643 -0.4290 98 THR C C 3768 O O . THR C 101 ? 0.6514 0.9340 0.6459 0.0468 -0.1660 -0.4257 98 THR C O 3769 C CB . THR C 101 ? 0.6542 1.0078 0.6292 0.0356 -0.1616 -0.3784 98 THR C CB 3770 O OG1 . THR C 101 ? 0.6182 0.9990 0.5876 0.0329 -0.1487 -0.3454 98 THR C OG1 3771 C CG2 . THR C 101 ? 0.6592 1.0237 0.6245 0.0346 -0.1824 -0.4009 98 THR C CG2 3772 N N . LEU C 102 ? 0.6538 0.9899 0.5972 0.0725 -0.1714 -0.4601 99 LEU C N 3773 C CA . LEU C 102 ? 0.6787 0.9829 0.6267 0.0797 -0.1830 -0.4947 99 LEU C CA 3774 C C . LEU C 102 ? 0.7190 0.9860 0.6913 0.0640 -0.2034 -0.5066 99 LEU C C 3775 O O . LEU C 102 ? 0.7175 0.9976 0.6865 0.0562 -0.2168 -0.5096 99 LEU C O 3776 C CB . LEU C 102 ? 0.7237 1.0562 0.6382 0.1003 -0.1878 -0.5263 99 LEU C CB 3777 C CG . LEU C 102 ? 0.7916 1.1387 0.6912 0.1197 -0.1710 -0.5309 99 LEU C CG 3778 C CD1 . LEU C 102 ? 0.7710 1.1650 0.6537 0.1234 -0.1512 -0.5009 99 LEU C CD1 3779 C CD2 . LEU C 102 ? 0.8751 1.2303 0.7509 0.1397 -0.1809 -0.5722 99 LEU C CD2 3780 N N . GLY C 103 ? 0.6668 0.8889 0.6642 0.0590 -0.2051 -0.5109 100 GLY C N 3781 C CA . GLY C 103 ? 0.6714 0.8536 0.6962 0.0433 -0.2228 -0.5201 100 GLY C CA 3782 C C . GLY C 103 ? 0.6735 0.8501 0.7231 0.0220 -0.2216 -0.4889 100 GLY C C 3783 O O . GLY C 103 ? 0.6747 0.8298 0.7448 0.0074 -0.2376 -0.4946 100 GLY C O 3784 N N . GLN C 104 ? 0.5883 0.7842 0.6373 0.0201 -0.2029 -0.4560 101 GLN C N 3785 C CA . GLN C 104 ? 0.5458 0.7405 0.6159 0.0026 -0.1989 -0.4245 101 GLN C CA 3786 C C . GLN C 104 ? 0.5495 0.7211 0.6385 -0.0015 -0.1827 -0.4012 101 GLN C C 3787 O O . GLN C 104 ? 0.5324 0.7084 0.6100 0.0110 -0.1694 -0.4003 101 GLN C O 3788 C CB . GLN C 104 ? 0.5485 0.7881 0.5998 0.0040 -0.1930 -0.4061 101 GLN C CB 3789 C CG . GLN C 104 ? 0.6705 0.9188 0.7331 -0.0105 -0.2060 -0.3984 101 GLN C CG 3790 C CD . GLN C 104 ? 0.8254 1.0601 0.8941 -0.0155 -0.2292 -0.4280 101 GLN C CD 3791 O OE1 . GLN C 104 ? 0.7739 1.0170 0.8216 -0.0040 -0.2391 -0.4573 101 GLN C OE1 3792 N NE2 . GLN C 104 ? 0.7143 0.9290 0.8122 -0.0330 -0.2387 -0.4209 101 GLN C NE2 3793 N N . PRO C 105 ? 0.4900 0.6384 0.6081 -0.0184 -0.1839 -0.3829 102 PRO C N 3794 C CA . PRO C 105 ? 0.4603 0.5860 0.5955 -0.0218 -0.1696 -0.3624 102 PRO C CA 3795 C C . PRO C 105 ? 0.4860 0.6361 0.6095 -0.0161 -0.1496 -0.3371 102 PRO C C 3796 O O . PRO C 105 ? 0.4700 0.6437 0.5907 -0.0213 -0.1454 -0.3171 102 PRO C O 3797 C CB . PRO C 105 ? 0.4681 0.5735 0.6331 -0.0409 -0.1756 -0.3474 102 PRO C CB 3798 C CG . PRO C 105 ? 0.5509 0.6591 0.7187 -0.0476 -0.1955 -0.3659 102 PRO C CG 3799 C CD . PRO C 105 ? 0.5137 0.6568 0.6505 -0.0347 -0.1987 -0.3811 102 PRO C CD 3800 N N . ASN C 106 ? 0.4302 0.5736 0.5483 -0.0054 -0.1379 -0.3381 103 ASN C N 3801 C CA . ASN C 106 ? 0.3931 0.5565 0.5021 0.0000 -0.1193 -0.3162 103 ASN C CA 3802 C C . ASN C 106 ? 0.4212 0.5571 0.5461 -0.0003 -0.1094 -0.3069 103 ASN C C 3803 O O . ASN C 106 ? 0.4232 0.5260 0.5635 -0.0027 -0.1169 -0.3189 103 ASN C O 3804 C CB . ASN C 106 ? 0.3920 0.5889 0.4718 0.0166 -0.1144 -0.3282 103 ASN C CB 3805 C CG . ASN C 106 ? 0.5146 0.7454 0.5814 0.0188 -0.0994 -0.3033 103 ASN C CG 3806 O OD1 . ASN C 106 ? 0.3488 0.5742 0.4266 0.0135 -0.0872 -0.2792 103 ASN C OD1 3807 N ND2 . ASN C 106 ? 0.3978 0.6645 0.4402 0.0271 -0.1001 -0.3089 103 ASN C ND2 3808 N N . THR C 107 ? 0.3552 0.5046 0.4771 0.0017 -0.0933 -0.2849 104 THR C N 3809 C CA . THR C 107 ? 0.3376 0.4668 0.4723 0.0020 -0.0830 -0.2740 104 THR C CA 3810 C C . THR C 107 ? 0.3997 0.5527 0.5187 0.0148 -0.0693 -0.2707 104 THR C C 3811 O O . THR C 107 ? 0.3817 0.5664 0.4868 0.0163 -0.0619 -0.2581 104 THR C O 3812 C CB . THR C 107 ? 0.3706 0.4889 0.5234 -0.0120 -0.0773 -0.2464 104 THR C CB 3813 O OG1 . THR C 107 ? 0.3599 0.4680 0.5252 -0.0240 -0.0889 -0.2464 104 THR C OG1 3814 C CG2 . THR C 107 ? 0.3158 0.4069 0.4845 -0.0133 -0.0705 -0.2383 104 THR C CG2 3815 N N . LEU C 108 ? 0.3757 0.5136 0.4982 0.0237 -0.0663 -0.2812 105 LEU C N 3816 C CA . LEU C 108 ? 0.3679 0.5260 0.4804 0.0355 -0.0530 -0.2777 105 LEU C CA 3817 C C . LEU C 108 ? 0.3828 0.5302 0.5103 0.0282 -0.0422 -0.2530 105 LEU C C 3818 O O . LEU C 108 ? 0.3607 0.4757 0.5065 0.0213 -0.0456 -0.2498 105 LEU C O 3819 C CB . LEU C 108 ? 0.3937 0.5437 0.5017 0.0510 -0.0562 -0.3040 105 LEU C CB 3820 C CG . LEU C 108 ? 0.4766 0.6612 0.5601 0.0660 -0.0554 -0.3217 105 LEU C CG 3821 C CD1 . LEU C 108 ? 0.5048 0.6766 0.5860 0.0816 -0.0604 -0.3498 105 LEU C CD1 3822 C CD2 . LEU C 108 ? 0.4945 0.7183 0.5664 0.0703 -0.0392 -0.3031 105 LEU C CD2 3823 N N . ILE C 109 ? 0.3290 0.5037 0.4492 0.0289 -0.0297 -0.2347 106 ILE C N 3824 C CA . ILE C 109 ? 0.3010 0.4681 0.4341 0.0216 -0.0198 -0.2109 106 ILE C CA 3825 C C . ILE C 109 ? 0.3687 0.5492 0.4995 0.0317 -0.0089 -0.2097 106 ILE C C 3826 O O . ILE C 109 ? 0.3736 0.5873 0.4896 0.0397 -0.0025 -0.2106 106 ILE C O 3827 C CB . ILE C 109 ? 0.3108 0.4938 0.4418 0.0109 -0.0153 -0.1870 106 ILE C CB 3828 C CG1 . ILE C 109 ? 0.3115 0.4859 0.4453 0.0019 -0.0264 -0.1885 106 ILE C CG1 3829 C CG2 . ILE C 109 ? 0.2778 0.4504 0.4223 0.0035 -0.0064 -0.1646 106 ILE C CG2 3830 C CD1 . ILE C 109 ? 0.3480 0.5416 0.4771 -0.0054 -0.0236 -0.1685 106 ILE C CD1 3831 N N . CYS C 110 ? 0.3288 0.4852 0.4747 0.0312 -0.0067 -0.2065 107 CYS C N 3832 C CA . CYS C 110 ? 0.3316 0.4987 0.4793 0.0398 0.0029 -0.2039 107 CYS C CA 3833 C C . CYS C 110 ? 0.3435 0.5064 0.5026 0.0296 0.0108 -0.1789 107 CYS C C 3834 O O . CYS C 110 ? 0.3260 0.4597 0.4993 0.0234 0.0082 -0.1735 107 CYS C O 3835 C CB . CYS C 110 ? 0.3616 0.5065 0.5164 0.0503 -0.0019 -0.2228 107 CYS C CB 3836 S SG . CYS C 110 ? 0.4155 0.5788 0.5721 0.0636 0.0092 -0.2226 107 CYS C SG 3837 N N . LEU C 111 ? 0.2798 0.4721 0.4324 0.0278 0.0201 -0.1636 108 LEU C N 3838 C CA . LEU C 111 ? 0.2426 0.4331 0.4050 0.0186 0.0273 -0.1409 108 LEU C CA 3839 C C . LEU C 111 ? 0.2614 0.4608 0.4296 0.0260 0.0346 -0.1405 108 LEU C C 3840 O O . LEU C 111 ? 0.2682 0.4977 0.4282 0.0348 0.0404 -0.1449 108 LEU C O 3841 C CB . LEU C 111 ? 0.2321 0.4464 0.3868 0.0110 0.0322 -0.1228 108 LEU C CB 3842 C CG . LEU C 111 ? 0.2639 0.4859 0.4259 0.0037 0.0410 -0.1004 108 LEU C CG 3843 C CD1 . LEU C 111 ? 0.2383 0.4306 0.4131 -0.0072 0.0386 -0.0882 108 LEU C CD1 3844 C CD2 . LEU C 111 ? 0.3002 0.5531 0.4519 0.0007 0.0463 -0.0867 108 LEU C CD2 3845 N N . VAL C 112 ? 0.1804 0.3551 0.3627 0.0227 0.0342 -0.1353 109 VAL C N 3846 C CA . VAL C 112 ? 0.1596 0.3405 0.3500 0.0283 0.0400 -0.1328 109 VAL C CA 3847 C C . VAL C 112 ? 0.1905 0.3720 0.3884 0.0164 0.0452 -0.1103 109 VAL C C 3848 O O . VAL C 112 ? 0.1805 0.3359 0.3858 0.0079 0.0418 -0.1026 109 VAL C O 3849 C CB . VAL C 112 ? 0.2050 0.3587 0.4049 0.0357 0.0347 -0.1456 109 VAL C CB 3850 C CG1 . VAL C 112 ? 0.1956 0.3628 0.4024 0.0441 0.0408 -0.1446 109 VAL C CG1 3851 C CG2 . VAL C 112 ? 0.2245 0.3692 0.4180 0.0453 0.0269 -0.1685 109 VAL C CG2 3852 N N . ASP C 113 ? 0.1334 0.3453 0.3289 0.0154 0.0533 -0.0995 110 ASP C N 3853 C CA . ASP C 113 ? 0.1101 0.3245 0.3126 0.0040 0.0577 -0.0786 110 ASP C CA 3854 C C . ASP C 113 ? 0.1542 0.3768 0.3678 0.0065 0.0624 -0.0746 110 ASP C C 3855 O O . ASP C 113 ? 0.1536 0.3889 0.3678 0.0182 0.0641 -0.0865 110 ASP C O 3856 C CB . ASP C 113 ? 0.1329 0.3748 0.3265 -0.0012 0.0625 -0.0667 110 ASP C CB 3857 C CG . ASP C 113 ? 0.2770 0.5139 0.4760 -0.0146 0.0643 -0.0455 110 ASP C CG 3858 O OD1 . ASP C 113 ? 0.2514 0.4627 0.4602 -0.0202 0.0616 -0.0408 110 ASP C OD1 3859 O OD2 . ASP C 113 ? 0.4042 0.6627 0.5974 -0.0191 0.0682 -0.0336 110 ASP C OD2 3860 N N . ASN C 114 ? 0.0915 0.3067 0.3142 -0.0039 0.0639 -0.0584 111 ASN C N 3861 C CA . ASN C 114 ? 0.0783 0.3000 0.3129 -0.0043 0.0671 -0.0523 111 ASN C CA 3862 C C . ASN C 114 ? 0.1146 0.3180 0.3556 0.0052 0.0630 -0.0650 111 ASN C C 3863 O O . ASN C 114 ? 0.1074 0.3273 0.3533 0.0146 0.0656 -0.0713 111 ASN C O 3864 C CB . ASN C 114 ? 0.0887 0.3511 0.3241 -0.0017 0.0750 -0.0474 111 ASN C CB 3865 C CG . ASN C 114 ? 0.3170 0.5897 0.5666 -0.0054 0.0780 -0.0378 111 ASN C CG 3866 O OD1 . ASN C 114 ? 0.2256 0.4859 0.4819 -0.0170 0.0766 -0.0247 111 ASN C OD1 3867 N ND2 . ASN C 114 ? 0.1743 0.4697 0.4289 0.0049 0.0815 -0.0449 111 ASN C ND2 3868 N N . ILE C 115 ? 0.0708 0.2416 0.3123 0.0030 0.0568 -0.0680 112 ILE C N 3869 C CA . ILE C 115 ? 0.0707 0.2206 0.3185 0.0103 0.0523 -0.0769 112 ILE C CA 3870 C C . ILE C 115 ? 0.1108 0.2482 0.3682 0.0047 0.0516 -0.0662 112 ILE C C 3871 O O . ILE C 115 ? 0.1039 0.2251 0.3615 -0.0050 0.0499 -0.0568 112 ILE C O 3872 C CB . ILE C 115 ? 0.1123 0.2338 0.3561 0.0113 0.0455 -0.0864 112 ILE C CB 3873 C CG1 . ILE C 115 ? 0.1159 0.2488 0.3495 0.0166 0.0447 -0.0986 112 ILE C CG1 3874 C CG2 . ILE C 115 ? 0.1368 0.2355 0.3877 0.0185 0.0406 -0.0940 112 ILE C CG2 3875 C CD1 . ILE C 115 ? 0.1664 0.2732 0.3975 0.0143 0.0374 -0.1057 112 ILE C CD1 3876 N N . PHE C 116 ? 0.0616 0.2096 0.3268 0.0117 0.0528 -0.0681 113 PHE C N 3877 C CA . PHE C 116 ? 0.0533 0.1878 0.3271 0.0101 0.0502 -0.0621 113 PHE C CA 3878 C C . PHE C 116 ? 0.1344 0.2748 0.4158 0.0232 0.0492 -0.0704 113 PHE C C 3879 O O . PHE C 116 ? 0.1425 0.3107 0.4264 0.0300 0.0533 -0.0743 113 PHE C O 3880 C CB . PHE C 116 ? 0.0540 0.1995 0.3321 -0.0014 0.0529 -0.0474 113 PHE C CB 3881 C CG . PHE C 116 ? 0.0574 0.1815 0.3395 -0.0062 0.0488 -0.0408 113 PHE C CG 3882 C CD1 . PHE C 116 ? 0.0775 0.1775 0.3547 -0.0135 0.0462 -0.0364 113 PHE C CD1 3883 C CD2 . PHE C 116 ? 0.0789 0.2086 0.3697 -0.0026 0.0475 -0.0395 113 PHE C CD2 3884 C CE1 . PHE C 116 ? 0.0782 0.1604 0.3576 -0.0168 0.0429 -0.0309 113 PHE C CE1 3885 C CE2 . PHE C 116 ? 0.1036 0.2147 0.3964 -0.0062 0.0434 -0.0341 113 PHE C CE2 3886 C CZ . PHE C 116 ? 0.0682 0.1558 0.3547 -0.0132 0.0413 -0.0298 113 PHE C CZ 3887 N N . PRO C 117 ? 0.1077 0.2230 0.3937 0.0275 0.0436 -0.0719 114 PRO C N 3888 C CA . PRO C 117 ? 0.1049 0.1900 0.3873 0.0188 0.0396 -0.0661 114 PRO C CA 3889 C C . PRO C 117 ? 0.1704 0.2368 0.4461 0.0187 0.0368 -0.0736 114 PRO C C 3890 O O . PRO C 117 ? 0.1649 0.2403 0.4374 0.0259 0.0373 -0.0848 114 PRO C O 3891 C CB . PRO C 117 ? 0.1313 0.1985 0.4199 0.0242 0.0349 -0.0651 114 PRO C CB 3892 C CG . PRO C 117 ? 0.1936 0.2823 0.4898 0.0332 0.0362 -0.0675 114 PRO C CG 3893 C CD . PRO C 117 ? 0.1445 0.2549 0.4387 0.0398 0.0401 -0.0773 114 PRO C CD 3894 N N . PRO C 118 ? 0.1260 0.1682 0.3998 0.0107 0.0338 -0.0678 115 PRO C N 3895 C CA . PRO C 118 ? 0.1294 0.1568 0.3987 0.0094 0.0307 -0.0747 115 PRO C CA 3896 C C . PRO C 118 ? 0.1985 0.2041 0.4718 0.0180 0.0247 -0.0846 115 PRO C C 3897 O O . PRO C 118 ? 0.2176 0.1985 0.4934 0.0140 0.0206 -0.0808 115 PRO C O 3898 C CB . PRO C 118 ? 0.1399 0.1541 0.4073 -0.0027 0.0306 -0.0631 115 PRO C CB 3899 C CG . PRO C 118 ? 0.1833 0.1931 0.4548 -0.0044 0.0310 -0.0533 115 PRO C CG 3900 C CD . PRO C 118 ? 0.1279 0.1589 0.4029 0.0019 0.0334 -0.0549 115 PRO C CD 3901 N N . VAL C 119 ? 0.1492 0.1648 0.4234 0.0301 0.0243 -0.0972 116 VAL C N 3902 C CA . VAL C 119 ? 0.1656 0.1629 0.4435 0.0410 0.0183 -0.1100 116 VAL C CA 3903 C C . VAL C 119 ? 0.2327 0.2476 0.5048 0.0496 0.0191 -0.1261 116 VAL C C 3904 O O . VAL C 119 ? 0.2358 0.2792 0.5066 0.0560 0.0246 -0.1283 116 VAL C O 3905 C CB . VAL C 119 ? 0.2141 0.2070 0.5005 0.0507 0.0168 -0.1082 116 VAL C CB 3906 C CG1 . VAL C 119 ? 0.2316 0.2070 0.5223 0.0641 0.0104 -0.1228 116 VAL C CG1 3907 C CG2 . VAL C 119 ? 0.2025 0.1783 0.4927 0.0426 0.0154 -0.0926 116 VAL C CG2 3908 N N . VAL C 120 ? 0.2006 0.2011 0.4687 0.0491 0.0139 -0.1370 117 VAL C N 3909 C CA . VAL C 120 ? 0.2117 0.2293 0.4718 0.0575 0.0140 -0.1536 117 VAL C CA 3910 C C . VAL C 120 ? 0.3123 0.3034 0.5725 0.0609 0.0045 -0.1693 117 VAL C C 3911 O O . VAL C 120 ? 0.3153 0.2793 0.5805 0.0516 -0.0010 -0.1639 117 VAL C O 3912 C CB . VAL C 120 ? 0.2387 0.2833 0.4888 0.0488 0.0201 -0.1477 117 VAL C CB 3913 C CG1 . VAL C 120 ? 0.2293 0.2583 0.4764 0.0359 0.0161 -0.1432 117 VAL C CG1 3914 C CG2 . VAL C 120 ? 0.2447 0.3186 0.4856 0.0595 0.0233 -0.1615 117 VAL C CG2 3915 N N . ASN C 121 ? 0.3003 0.3003 0.5555 0.0746 0.0026 -0.1890 118 ASN C N 3916 C CA . ASN C 121 ? 0.3251 0.3028 0.5791 0.0790 -0.0072 -0.2075 118 ASN C CA 3917 C C . ASN C 121 ? 0.3721 0.3728 0.6121 0.0799 -0.0064 -0.2193 118 ASN C C 3918 O O . ASN C 121 ? 0.3748 0.4037 0.6070 0.0920 -0.0014 -0.2292 118 ASN C O 3919 C CB . ASN C 121 ? 0.3836 0.3474 0.6433 0.0965 -0.0122 -0.2234 118 ASN C CB 3920 C CG . ASN C 121 ? 0.8470 0.7809 1.1205 0.0963 -0.0161 -0.2138 118 ASN C CG 3921 O OD1 . ASN C 121 ? 0.7981 0.7150 1.0773 0.0823 -0.0171 -0.1970 118 ASN C OD1 3922 N ND2 . ASN C 121 ? 0.8335 0.7619 1.1124 0.1131 -0.0185 -0.2244 118 ASN C ND2 3923 N N . ILE C 122 ? 0.3172 0.3089 0.5541 0.0673 -0.0108 -0.2172 119 ILE C N 3924 C CA . ILE C 122 ? 0.3190 0.3315 0.5421 0.0677 -0.0116 -0.2282 119 ILE C CA 3925 C C . ILE C 122 ? 0.3892 0.3753 0.6131 0.0696 -0.0244 -0.2478 119 ILE C C 3926 O O . ILE C 122 ? 0.3817 0.3406 0.6145 0.0577 -0.0314 -0.2424 119 ILE C O 3927 C CB . ILE C 122 ? 0.3338 0.3639 0.5512 0.0531 -0.0066 -0.2112 119 ILE C CB 3928 C CG1 . ILE C 122 ? 0.3097 0.3568 0.5301 0.0485 0.0042 -0.1899 119 ILE C CG1 3929 C CG2 . ILE C 122 ? 0.3515 0.4101 0.5527 0.0570 -0.0060 -0.2222 119 ILE C CG2 3930 C CD1 . ILE C 122 ? 0.3556 0.4026 0.5771 0.0322 0.0066 -0.1703 119 ILE C CD1 3931 N N . THR C 123 ? 0.3659 0.3604 0.5814 0.0851 -0.0275 -0.2709 120 THR C N 3932 C CA . THR C 123 ? 0.3955 0.3659 0.6104 0.0893 -0.0407 -0.2939 120 THR C CA 3933 C C . THR C 123 ? 0.4476 0.4469 0.6437 0.0965 -0.0415 -0.3116 120 THR C C 3934 O O . THR C 123 ? 0.4333 0.4711 0.6175 0.1014 -0.0309 -0.3070 120 THR C O 3935 C CB . THR C 123 ? 0.5313 0.4757 0.7555 0.1040 -0.0464 -0.3082 120 THR C CB 3936 O OG1 . THR C 123 ? 0.5331 0.5059 0.7493 0.1223 -0.0386 -0.3174 120 THR C OG1 3937 C CG2 . THR C 123 ? 0.4915 0.4051 0.7340 0.0966 -0.0473 -0.2904 120 THR C CG2 3938 N N . TRP C 124 ? 0.4140 0.3950 0.6077 0.0965 -0.0544 -0.3314 121 TRP C N 3939 C CA . TRP C 124 ? 0.4300 0.4354 0.6049 0.1031 -0.0575 -0.3504 121 TRP C CA 3940 C C . TRP C 124 ? 0.5487 0.5400 0.7193 0.1207 -0.0675 -0.3824 121 TRP C C 3941 O O . TRP C 124 ? 0.5610 0.5121 0.7458 0.1215 -0.0777 -0.3910 121 TRP C O 3942 C CB . TRP C 124 ? 0.4054 0.4059 0.5793 0.0862 -0.0654 -0.3465 121 TRP C CB 3943 C CG . TRP C 124 ? 0.3774 0.3987 0.5507 0.0716 -0.0558 -0.3188 121 TRP C CG 3944 C CD1 . TRP C 124 ? 0.3888 0.3927 0.5773 0.0559 -0.0541 -0.2959 121 TRP C CD1 3945 C CD2 . TRP C 124 ? 0.3617 0.4245 0.5180 0.0717 -0.0475 -0.3116 121 TRP C CD2 3946 N NE1 . TRP C 124 ? 0.3532 0.3836 0.5355 0.0468 -0.0456 -0.2762 121 TRP C NE1 3947 C CE2 . TRP C 124 ? 0.3769 0.4427 0.5400 0.0557 -0.0417 -0.2846 121 TRP C CE2 3948 C CE3 . TRP C 124 ? 0.3903 0.4887 0.5259 0.0843 -0.0443 -0.3250 121 TRP C CE3 3949 C CZ2 . TRP C 124 ? 0.3500 0.4501 0.5012 0.0515 -0.0337 -0.2704 121 TRP C CZ2 3950 C CZ3 . TRP C 124 ? 0.3914 0.5261 0.5149 0.0795 -0.0355 -0.3093 121 TRP C CZ3 3951 C CH2 . TRP C 124 ? 0.3688 0.5027 0.5006 0.0631 -0.0307 -0.2821 121 TRP C CH2 3952 N N . LEU C 125 ? 0.5423 0.5669 0.6931 0.1349 -0.0649 -0.3999 122 LEU C N 3953 C CA . LEU C 125 ? 0.5915 0.6088 0.7340 0.1539 -0.0739 -0.4333 122 LEU C CA 3954 C C . LEU C 125 ? 0.6716 0.7100 0.7937 0.1552 -0.0804 -0.4514 122 LEU C C 3955 O O . LEU C 125 ? 0.6417 0.7191 0.7498 0.1509 -0.0716 -0.4393 122 LEU C O 3956 C CB . LEU C 125 ? 0.6003 0.6421 0.7373 0.1759 -0.0631 -0.4406 122 LEU C CB 3957 C CG . LEU C 125 ? 0.6506 0.6741 0.8068 0.1785 -0.0577 -0.4265 122 LEU C CG 3958 C CD1 . LEU C 125 ? 0.6351 0.7023 0.7864 0.1873 -0.0406 -0.4136 122 LEU C CD1 3959 C CD2 . LEU C 125 ? 0.7177 0.7053 0.8827 0.1942 -0.0686 -0.4501 122 LEU C CD2 3960 N N . SER C 126 ? 0.6855 0.6970 0.8064 0.1607 -0.0967 -0.4798 123 SER C N 3961 C CA . SER C 126 ? 0.7174 0.7461 0.8181 0.1650 -0.1056 -0.5029 123 SER C CA 3962 C C . SER C 126 ? 0.8255 0.8498 0.9165 0.1897 -0.1118 -0.5383 123 SER C C 3963 O O . SER C 126 ? 0.8471 0.8274 0.9526 0.1939 -0.1236 -0.5535 123 SER C O 3964 C CB . SER C 126 ? 0.7706 0.7707 0.8801 0.1458 -0.1215 -0.5044 123 SER C CB 3965 O OG . SER C 126 ? 0.9041 0.9274 0.9926 0.1487 -0.1292 -0.5236 123 SER C OG 3966 N N . ASN C 127 ? 0.7989 0.8698 0.8658 0.2070 -0.1028 -0.5497 124 ASN C N 3967 C CA . ASN C 127 ? 0.8372 0.9167 0.8902 0.2342 -0.1053 -0.5833 124 ASN C CA 3968 C C . ASN C 127 ? 0.8955 0.9548 0.9653 0.2478 -0.1003 -0.5836 124 ASN C C 3969 O O . ASN C 127 ? 0.9329 0.9685 1.0036 0.2657 -0.1099 -0.6125 124 ASN C O 3970 C CB . ASN C 127 ? 0.8878 0.9395 0.9340 0.2382 -0.1266 -0.6185 124 ASN C CB 3971 C CG . ASN C 127 ? 1.1514 1.2277 1.1788 0.2284 -0.1323 -0.6222 124 ASN C CG 3972 O OD1 . ASN C 127 ? 1.0855 1.2083 1.0867 0.2411 -0.1260 -0.6320 124 ASN C OD1 3973 N ND2 . ASN C 127 ? 1.0347 1.0810 1.0752 0.2064 -0.1453 -0.6154 124 ASN C ND2 3974 N N . GLY C 128 ? 0.8149 0.8835 0.8978 0.2394 -0.0861 -0.5516 125 GLY C N 3975 C CA . GLY C 128 ? 0.8115 0.8666 0.9109 0.2502 -0.0800 -0.5463 125 GLY C CA 3976 C C . GLY C 128 ? 0.8720 0.8688 0.9975 0.2399 -0.0907 -0.5396 125 GLY C C 3977 O O . GLY C 128 ? 0.8624 0.8474 1.0022 0.2479 -0.0860 -0.5325 125 GLY C O 3978 N N . HIS C 129 ? 0.8442 0.8056 0.9765 0.2221 -0.1053 -0.5411 126 HIS C N 3979 C CA . HIS C 129 ? 0.8514 0.7574 1.0088 0.2104 -0.1162 -0.5335 126 HIS C CA 3980 C C . HIS C 129 ? 0.8734 0.7744 1.0424 0.1828 -0.1127 -0.5001 126 HIS C C 3981 O O . HIS C 129 ? 0.8533 0.7775 1.0116 0.1704 -0.1113 -0.4933 126 HIS C O 3982 C CB . HIS C 129 ? 0.9102 0.7747 1.0702 0.2129 -0.1374 -0.5640 126 HIS C CB 3983 C CG . HIS C 129 ? 0.9979 0.8601 1.1483 0.2414 -0.1424 -0.5988 126 HIS C CG 3984 N ND1 . HIS C 129 ? 1.0554 0.9324 1.1846 0.2529 -0.1504 -0.6307 126 HIS C ND1 3985 C CD2 . HIS C 129 ? 1.0353 0.8835 1.1943 0.2609 -0.1404 -0.6063 126 HIS C CD2 3986 C CE1 . HIS C 129 ? 1.0824 0.9535 1.2079 0.2793 -0.1528 -0.6572 126 HIS C CE1 3987 N NE2 . HIS C 129 ? 1.0763 0.9301 1.2199 0.2852 -0.1469 -0.6435 126 HIS C NE2 3988 N N . SER C 130 ? 0.8285 0.7001 1.0190 0.1743 -0.1115 -0.4792 127 SER C N 3989 C CA . SER C 130 ? 0.7952 0.6619 0.9978 0.1503 -0.1069 -0.4466 127 SER C CA 3990 C C . SER C 130 ? 0.8570 0.7013 1.0655 0.1300 -0.1198 -0.4464 127 SER C C 3991 O O . SER C 130 ? 0.8850 0.6948 1.1002 0.1306 -0.1358 -0.4665 127 SER C O 3992 C CB . SER C 130 ? 0.8364 0.6756 1.0594 0.1482 -0.1040 -0.4276 127 SER C CB 3993 O OG . SER C 130 ? 1.0125 0.8017 1.2512 0.1491 -0.1191 -0.4392 127 SER C OG 3994 N N . VAL C 131 ? 0.7873 0.6524 0.9941 0.1122 -0.1128 -0.4230 128 VAL C N 3995 C CA . VAL C 131 ? 0.7841 0.6379 0.9974 0.0912 -0.1217 -0.4162 128 VAL C CA 3996 C C . VAL C 131 ? 0.8044 0.6420 1.0367 0.0735 -0.1166 -0.3845 128 VAL C C 3997 O O . VAL C 131 ? 0.7717 0.6316 1.0019 0.0726 -0.1021 -0.3630 128 VAL C O 3998 C CB . VAL C 131 ? 0.8231 0.7186 1.0170 0.0870 -0.1178 -0.4160 128 VAL C CB 3999 C CG1 . VAL C 131 ? 0.8289 0.7115 1.0290 0.0692 -0.1310 -0.4175 128 VAL C CG1 4000 C CG2 . VAL C 131 ? 0.8439 0.7683 1.0146 0.1076 -0.1168 -0.4418 128 VAL C CG2 4001 N N . THR C 132 ? 0.7680 0.5684 1.0191 0.0595 -0.1284 -0.3815 129 THR C N 4002 C CA . THR C 132 ? 0.7352 0.5206 1.0043 0.0428 -0.1240 -0.3519 129 THR C CA 4003 C C . THR C 132 ? 0.7529 0.5413 1.0282 0.0220 -0.1288 -0.3413 129 THR C C 4004 O O . THR C 132 ? 0.7166 0.5150 0.9975 0.0097 -0.1198 -0.3152 129 THR C O 4005 C CB . THR C 132 ? 0.8557 0.5964 1.1445 0.0436 -0.1314 -0.3510 129 THR C CB 4006 O OG1 . THR C 132 ? 0.8733 0.5849 1.1670 0.0461 -0.1488 -0.3770 129 THR C OG1 4007 C CG2 . THR C 132 ? 0.8320 0.5737 1.1188 0.0608 -0.1224 -0.3486 129 THR C CG2 4008 N N . GLU C 133 ? 0.7198 0.5005 0.9943 0.0186 -0.1434 -0.3621 130 GLU C N 4009 C CA . GLU C 133 ? 0.7039 0.4882 0.9853 -0.0003 -0.1504 -0.3557 130 GLU C CA 4010 C C . GLU C 133 ? 0.6923 0.5216 0.9558 -0.0015 -0.1411 -0.3482 130 GLU C C 4011 O O . GLU C 133 ? 0.6959 0.5507 0.9382 0.0125 -0.1384 -0.3637 130 GLU C O 4012 C CB . GLU C 133 ? 0.7656 0.5276 1.0518 -0.0025 -0.1704 -0.3828 130 GLU C CB 4013 C CG . GLU C 133 ? 0.9628 0.6759 1.2702 -0.0046 -0.1823 -0.3890 130 GLU C CG 4014 C CD . GLU C 133 ? 1.2893 0.9796 1.6225 -0.0245 -0.1825 -0.3621 130 GLU C CD 4015 O OE1 . GLU C 133 ? 1.2277 0.9268 1.5698 -0.0423 -0.1860 -0.3515 130 GLU C OE1 4016 O OE2 . GLU C 133 ? 1.2635 0.9275 1.6086 -0.0218 -0.1799 -0.3519 130 GLU C OE2 4017 N N . GLY C 134 ? 0.5902 0.4290 0.8625 -0.0177 -0.1363 -0.3241 131 GLY C N 4018 C CA . GLY C 134 ? 0.5540 0.4316 0.8125 -0.0208 -0.1280 -0.3130 131 GLY C CA 4019 C C . GLY C 134 ? 0.5585 0.4596 0.8062 -0.0135 -0.1101 -0.2956 131 GLY C C 4020 O O . GLY C 134 ? 0.5311 0.4650 0.7651 -0.0132 -0.1029 -0.2881 131 GLY C O 4021 N N . VAL C 135 ? 0.5051 0.3894 0.7597 -0.0079 -0.1034 -0.2882 132 VAL C N 4022 C CA . VAL C 135 ? 0.4695 0.3737 0.7161 -0.0013 -0.0875 -0.2723 132 VAL C CA 4023 C C . VAL C 135 ? 0.4754 0.3741 0.7354 -0.0147 -0.0802 -0.2441 132 VAL C C 4024 O O . VAL C 135 ? 0.4757 0.3458 0.7528 -0.0218 -0.0841 -0.2371 132 VAL C O 4025 C CB . VAL C 135 ? 0.5303 0.4262 0.7739 0.0154 -0.0842 -0.2828 132 VAL C CB 4026 C CG1 . VAL C 135 ? 0.4979 0.4116 0.7383 0.0193 -0.0686 -0.2635 132 VAL C CG1 4027 C CG2 . VAL C 135 ? 0.5530 0.4629 0.7798 0.0311 -0.0887 -0.3103 132 VAL C CG2 4028 N N . SER C 136 ? 0.3917 0.3184 0.6433 -0.0176 -0.0697 -0.2280 133 SER C N 4029 C CA . SER C 136 ? 0.3529 0.2805 0.6129 -0.0277 -0.0610 -0.2022 133 SER C CA 4030 C C . SER C 136 ? 0.3677 0.3192 0.6161 -0.0209 -0.0475 -0.1911 133 SER C C 4031 O O . SER C 136 ? 0.3599 0.3331 0.5936 -0.0111 -0.0448 -0.2010 133 SER C O 4032 C CB . SER C 136 ? 0.3835 0.3194 0.6481 -0.0411 -0.0643 -0.1932 133 SER C CB 4033 O OG . SER C 136 ? 0.5264 0.4911 0.7753 -0.0380 -0.0642 -0.1992 133 SER C OG 4034 N N . GLU C 137 ? 0.3005 0.2488 0.5557 -0.0261 -0.0393 -0.1708 134 GLU C N 4035 C CA . GLU C 137 ? 0.2759 0.2452 0.5223 -0.0216 -0.0276 -0.1595 134 GLU C CA 4036 C C . GLU C 137 ? 0.3044 0.2737 0.5571 -0.0316 -0.0212 -0.1371 134 GLU C C 4037 O O . GLU C 137 ? 0.3027 0.2533 0.5677 -0.0398 -0.0242 -0.1297 134 GLU C O 4038 C CB . GLU C 137 ? 0.2994 0.2649 0.5448 -0.0098 -0.0236 -0.1648 134 GLU C CB 4039 C CG . GLU C 137 ? 0.4655 0.4010 0.7248 -0.0103 -0.0263 -0.1615 134 GLU C CG 4040 C CD . GLU C 137 ? 0.8093 0.7433 1.0684 0.0016 -0.0222 -0.1643 134 GLU C CD 4041 O OE1 . GLU C 137 ? 0.8189 0.7383 1.0868 -0.0004 -0.0198 -0.1521 134 GLU C OE1 4042 O OE2 . GLU C 137 ? 0.7715 0.7202 1.0217 0.0134 -0.0213 -0.1785 134 GLU C OE2 4043 N N . THR C 138 ? 0.2354 0.2264 0.4797 -0.0307 -0.0124 -0.1265 135 THR C N 4044 C CA . THR C 138 ? 0.2013 0.1935 0.4495 -0.0381 -0.0059 -0.1068 135 THR C CA 4045 C C . THR C 138 ? 0.2340 0.2130 0.4882 -0.0356 -0.0015 -0.1001 135 THR C C 4046 O O . THR C 138 ? 0.2362 0.2088 0.4908 -0.0275 -0.0028 -0.1098 135 THR C O 4047 C CB . THR C 138 ? 0.2682 0.2868 0.5055 -0.0376 0.0007 -0.0988 135 THR C CB 4048 O OG1 . THR C 138 ? 0.2153 0.2460 0.4462 -0.0294 0.0063 -0.1013 135 THR C OG1 4049 C CG2 . THR C 138 ? 0.2865 0.3216 0.5158 -0.0388 -0.0037 -0.1046 135 THR C CG2 4050 N N . SER C 139 ? 0.1782 0.1549 0.4362 -0.0413 0.0036 -0.0839 136 SER C N 4051 C CA . SER C 139 ? 0.1677 0.1363 0.4291 -0.0387 0.0082 -0.0766 136 SER C CA 4052 C C . SER C 139 ? 0.1906 0.1791 0.4438 -0.0327 0.0142 -0.0763 136 SER C C 4053 O O . SER C 139 ? 0.1824 0.1898 0.4276 -0.0307 0.0150 -0.0813 136 SER C O 4054 C CB . SER C 139 ? 0.1936 0.1558 0.4599 -0.0462 0.0115 -0.0607 136 SER C CB 4055 O OG . SER C 139 ? 0.3372 0.2798 0.6133 -0.0504 0.0073 -0.0588 136 SER C OG 4056 N N . PHE C 140 ? 0.1278 0.1140 0.3833 -0.0305 0.0184 -0.0695 137 PHE C N 4057 C CA . PHE C 140 ? 0.1145 0.1207 0.3650 -0.0275 0.0242 -0.0661 137 PHE C CA 4058 C C . PHE C 140 ? 0.1651 0.1795 0.4128 -0.0355 0.0277 -0.0534 137 PHE C C 4059 O O . PHE C 140 ? 0.1545 0.1572 0.4060 -0.0408 0.0283 -0.0438 137 PHE C O 4060 C CB . PHE C 140 ? 0.1295 0.1311 0.3847 -0.0231 0.0263 -0.0631 137 PHE C CB 4061 C CG . PHE C 140 ? 0.1615 0.1585 0.4192 -0.0130 0.0233 -0.0756 137 PHE C CG 4062 C CD1 . PHE C 140 ? 0.2154 0.2324 0.4690 -0.0048 0.0253 -0.0851 137 PHE C CD1 4063 C CD2 . PHE C 140 ? 0.1928 0.1660 0.4574 -0.0111 0.0186 -0.0775 137 PHE C CD2 4064 C CE1 . PHE C 140 ? 0.2411 0.2536 0.4973 0.0064 0.0224 -0.0978 137 PHE C CE1 4065 C CE2 . PHE C 140 ? 0.2456 0.2121 0.5133 -0.0008 0.0151 -0.0892 137 PHE C CE2 4066 C CZ . PHE C 140 ? 0.2327 0.2186 0.4961 0.0084 0.0168 -0.1002 137 PHE C CZ 4067 N N . LEU C 141 ? 0.1264 0.1603 0.3671 -0.0360 0.0294 -0.0537 138 LEU C N 4068 C CA . LEU C 141 ? 0.1168 0.1581 0.3551 -0.0428 0.0322 -0.0413 138 LEU C CA 4069 C C . LEU C 141 ? 0.1483 0.2000 0.3866 -0.0433 0.0375 -0.0329 138 LEU C C 4070 O O . LEU C 141 ? 0.1473 0.2140 0.3841 -0.0385 0.0398 -0.0372 138 LEU C O 4071 C CB . LEU C 141 ? 0.1263 0.1828 0.3572 -0.0436 0.0308 -0.0436 138 LEU C CB 4072 C CG . LEU C 141 ? 0.2031 0.2495 0.4358 -0.0465 0.0249 -0.0478 138 LEU C CG 4073 C CD1 . LEU C 141 ? 0.2178 0.2766 0.4434 -0.0426 0.0209 -0.0603 138 LEU C CD1 4074 C CD2 . LEU C 141 ? 0.2597 0.3062 0.4933 -0.0531 0.0255 -0.0354 138 LEU C CD2 4075 N N . SER C 142 ? 0.0937 0.1371 0.3350 -0.0489 0.0389 -0.0218 139 SER C N 4076 C CA . SER C 142 ? 0.0913 0.1407 0.3345 -0.0510 0.0424 -0.0136 139 SER C CA 4077 C C . SER C 142 ? 0.1545 0.2242 0.3940 -0.0540 0.0454 -0.0067 139 SER C C 4078 O O . SER C 142 ? 0.1657 0.2419 0.4004 -0.0555 0.0449 -0.0049 139 SER C O 4079 C CB . SER C 142 ? 0.1307 0.1633 0.3771 -0.0554 0.0419 -0.0056 139 SER C CB 4080 O OG . SER C 142 ? 0.2362 0.2688 0.4805 -0.0602 0.0421 0.0024 139 SER C OG 4081 N N . LYS C 143 ? 0.1043 0.1843 0.3472 -0.0552 0.0483 -0.0018 140 LYS C N 4082 C CA . LYS C 143 ? 0.0957 0.1954 0.3376 -0.0594 0.0516 0.0074 140 LYS C CA 4083 C C . LYS C 143 ? 0.1390 0.2328 0.3874 -0.0660 0.0519 0.0175 140 LYS C C 4084 O O . LYS C 143 ? 0.1319 0.2146 0.3851 -0.0650 0.0505 0.0147 140 LYS C O 4085 C CB . LYS C 143 ? 0.1128 0.2378 0.3537 -0.0542 0.0551 0.0021 140 LYS C CB 4086 C CG . LYS C 143 ? 0.1132 0.2478 0.3456 -0.0479 0.0546 -0.0079 140 LYS C CG 4087 C CD . LYS C 143 ? 0.1710 0.3320 0.4014 -0.0410 0.0585 -0.0142 140 LYS C CD 4088 C CE . LYS C 143 ? 0.2810 0.4692 0.5080 -0.0449 0.0633 -0.0032 140 LYS C CE 4089 N NZ . LYS C 143 ? 0.3868 0.6043 0.6129 -0.0376 0.0682 -0.0087 140 LYS C NZ 4090 N N . SER C 144 ? 0.0971 0.1990 0.3459 -0.0725 0.0533 0.0291 141 SER C N 4091 C CA . SER C 144 ? 0.0991 0.1957 0.3548 -0.0800 0.0526 0.0391 141 SER C CA 4092 C C . SER C 144 ? 0.1592 0.2656 0.4229 -0.0805 0.0535 0.0377 141 SER C C 4093 O O . SER C 144 ? 0.1664 0.2615 0.4360 -0.0851 0.0509 0.0411 141 SER C O 4094 C CB . SER C 144 ? 0.1471 0.2556 0.4025 -0.0865 0.0542 0.0522 141 SER C CB 4095 O OG . SER C 144 ? 0.3111 0.4041 0.5623 -0.0876 0.0517 0.0565 141 SER C OG 4096 N N . ASP C 145 ? 0.1080 0.2351 0.3717 -0.0750 0.0567 0.0319 142 ASP C N 4097 C CA . ASP C 145 ? 0.0978 0.2378 0.3697 -0.0738 0.0577 0.0298 142 ASP C CA 4098 C C . ASP C 145 ? 0.1301 0.2577 0.4030 -0.0663 0.0551 0.0186 142 ASP C C 4099 O O . ASP C 145 ? 0.1317 0.2698 0.4116 -0.0640 0.0554 0.0163 142 ASP C O 4100 C CB . ASP C 145 ? 0.1256 0.2988 0.3986 -0.0716 0.0632 0.0311 142 ASP C CB 4101 C CG . ASP C 145 ? 0.1921 0.3737 0.4561 -0.0613 0.0651 0.0197 142 ASP C CG 4102 O OD1 . ASP C 145 ? 0.1900 0.3530 0.4486 -0.0558 0.0620 0.0101 142 ASP C OD1 4103 O OD2 . ASP C 145 ? 0.2381 0.4469 0.5007 -0.0587 0.0697 0.0203 142 ASP C OD2 4104 N N . HIS C 146 ? 0.0747 0.1746 0.3346 -0.0595 0.0511 0.0123 143 HIS C N 4105 C CA . HIS C 146 ? 0.0703 0.1536 0.3289 -0.0524 0.0480 0.0039 143 HIS C CA 4106 C C . HIS C 146 ? 0.1085 0.2081 0.3758 -0.0466 0.0505 -0.0061 143 HIS C C 4107 O O . HIS C 146 ? 0.1120 0.2013 0.3813 -0.0410 0.0481 -0.0118 143 HIS C O 4108 C CB . HIS C 146 ? 0.0739 0.1538 0.3419 -0.0567 0.0460 0.0076 143 HIS C CB 4109 C CG . HIS C 146 ? 0.1103 0.1827 0.3839 -0.0683 0.0452 0.0164 143 HIS C CG 4110 N ND1 . HIS C 146 ? 0.1331 0.1902 0.4004 -0.0702 0.0447 0.0185 143 HIS C ND1 4111 C CD2 . HIS C 146 ? 0.1259 0.1994 0.4054 -0.0753 0.0433 0.0226 143 HIS C CD2 4112 C CE1 . HIS C 146 ? 0.1216 0.1702 0.3905 -0.0769 0.0428 0.0253 143 HIS C CE1 4113 N NE2 . HIS C 146 ? 0.1239 0.1809 0.3999 -0.0804 0.0415 0.0276 143 HIS C NE2 4114 N N . SER C 147 ? 0.0598 0.1700 0.3149 -0.0415 0.0521 -0.0090 144 SER C N 4115 C CA . SER C 147 ? 0.0545 0.1710 0.3071 -0.0327 0.0526 -0.0208 144 SER C CA 4116 C C . SER C 147 ? 0.0878 0.1958 0.3401 -0.0339 0.0513 -0.0257 144 SER C C 4117 O O . SER C 147 ? 0.0750 0.1684 0.3257 -0.0405 0.0497 -0.0192 144 SER C O 4118 C CB . SER C 147 ? 0.0947 0.2507 0.3547 -0.0312 0.0590 -0.0213 144 SER C CB 4119 O OG . SER C 147 ? 0.1930 0.3597 0.4453 -0.0349 0.0612 -0.0173 144 SER C OG 4120 N N . PHE C 148 ? 0.0561 0.1667 0.3044 -0.0257 0.0502 -0.0380 145 PHE C N 4121 C CA . PHE C 148 ? 0.0599 0.1558 0.3025 -0.0260 0.0464 -0.0437 145 PHE C CA 4122 C C . PHE C 148 ? 0.1233 0.2367 0.3579 -0.0204 0.0468 -0.0533 145 PHE C C 4123 O O . PHE C 148 ? 0.1273 0.2646 0.3601 -0.0149 0.0508 -0.0565 145 PHE C O 4124 C CB . PHE C 148 ? 0.0803 0.1507 0.3271 -0.0220 0.0414 -0.0511 145 PHE C CB 4125 C CG . PHE C 148 ? 0.0879 0.1403 0.3404 -0.0267 0.0405 -0.0423 145 PHE C CG 4126 C CD1 . PHE C 148 ? 0.1114 0.1660 0.3696 -0.0237 0.0414 -0.0403 145 PHE C CD1 4127 C CD2 . PHE C 148 ? 0.1104 0.1455 0.3624 -0.0333 0.0385 -0.0364 145 PHE C CD2 4128 C CE1 . PHE C 148 ? 0.1157 0.1550 0.3772 -0.0274 0.0400 -0.0329 145 PHE C CE1 4129 C CE2 . PHE C 148 ? 0.1322 0.1527 0.3878 -0.0364 0.0380 -0.0290 145 PHE C CE2 4130 C CZ . PHE C 148 ? 0.1023 0.1247 0.3618 -0.0334 0.0385 -0.0276 145 PHE C CZ 4131 N N . PHE C 149 ? 0.0704 0.1738 0.3001 -0.0220 0.0428 -0.0577 146 PHE C N 4132 C CA . PHE C 149 ? 0.0725 0.1881 0.2934 -0.0165 0.0411 -0.0694 146 PHE C CA 4133 C C . PHE C 149 ? 0.1258 0.2172 0.3480 -0.0163 0.0336 -0.0790 146 PHE C C 4134 O O . PHE C 149 ? 0.1104 0.1820 0.3383 -0.0232 0.0313 -0.0719 146 PHE C O 4135 C CB . PHE C 149 ? 0.0908 0.2290 0.3029 -0.0206 0.0440 -0.0616 146 PHE C CB 4136 C CG . PHE C 149 ? 0.0938 0.2222 0.3045 -0.0295 0.0413 -0.0521 146 PHE C CG 4137 C CD1 . PHE C 149 ? 0.1105 0.2317 0.3266 -0.0376 0.0435 -0.0365 146 PHE C CD1 4138 C CD2 . PHE C 149 ? 0.1287 0.2576 0.3327 -0.0291 0.0364 -0.0592 146 PHE C CD2 4139 C CE1 . PHE C 149 ? 0.1210 0.2351 0.3360 -0.0442 0.0413 -0.0279 146 PHE C CE1 4140 C CE2 . PHE C 149 ? 0.1565 0.2798 0.3602 -0.0364 0.0340 -0.0498 146 PHE C CE2 4141 C CZ . PHE C 149 ? 0.1192 0.2351 0.3285 -0.0434 0.0368 -0.0341 146 PHE C CZ 4142 N N . LYS C 150 ? 0.1001 0.1927 0.3185 -0.0080 0.0299 -0.0956 147 LYS C N 4143 C CA . LYS C 150 ? 0.1066 0.1764 0.3276 -0.0079 0.0217 -0.1065 147 LYS C CA 4144 C C . LYS C 150 ? 0.1829 0.2664 0.3933 -0.0033 0.0179 -0.1204 147 LYS C C 4145 O O . LYS C 150 ? 0.2054 0.3115 0.4078 0.0054 0.0213 -0.1279 147 LYS C O 4146 C CB . LYS C 150 ? 0.1375 0.1876 0.3668 -0.0011 0.0189 -0.1148 147 LYS C CB 4147 C CG . LYS C 150 ? 0.1623 0.1837 0.3982 -0.0032 0.0102 -0.1222 147 LYS C CG 4148 C CD . LYS C 150 ? 0.1718 0.1735 0.4164 0.0034 0.0080 -0.1267 147 LYS C CD 4149 C CE . LYS C 150 ? 0.1566 0.1333 0.4114 -0.0046 0.0061 -0.1150 147 LYS C CE 4150 N NZ . LYS C 150 ? 0.2303 0.1859 0.4905 -0.0098 -0.0021 -0.1205 147 LYS C NZ 4151 N N . ILE C 151 ? 0.1312 0.2041 0.3415 -0.0091 0.0111 -0.1233 148 ILE C N 4152 C CA . ILE C 151 ? 0.1363 0.2214 0.3362 -0.0055 0.0058 -0.1373 148 ILE C CA 4153 C C . ILE C 151 ? 0.2157 0.2763 0.4213 -0.0038 -0.0046 -0.1540 148 ILE C C 4154 O O . ILE C 151 ? 0.2166 0.2545 0.4332 -0.0123 -0.0090 -0.1485 148 ILE C O 4155 C CB . ILE C 151 ? 0.1570 0.2555 0.3511 -0.0137 0.0054 -0.1268 148 ILE C CB 4156 C CG1 . ILE C 151 ? 0.1387 0.2605 0.3274 -0.0154 0.0149 -0.1100 148 ILE C CG1 4157 C CG2 . ILE C 151 ? 0.1772 0.2881 0.3603 -0.0098 -0.0014 -0.1421 148 ILE C CG2 4158 C CD1 . ILE C 151 ? 0.1676 0.2949 0.3551 -0.0245 0.0152 -0.0947 148 ILE C CD1 4159 N N . SER C 152 ? 0.1836 0.2493 0.3818 0.0072 -0.0084 -0.1741 149 SER C N 4160 C CA . SER C 152 ? 0.2043 0.2474 0.4067 0.0100 -0.0196 -0.1932 149 SER C CA 4161 C C . SER C 152 ? 0.2798 0.3355 0.4713 0.0097 -0.0271 -0.2059 149 SER C C 4162 O O . SER C 152 ? 0.2657 0.3516 0.4422 0.0147 -0.0229 -0.2075 149 SER C O 4163 C CB . SER C 152 ? 0.2620 0.2994 0.4643 0.0242 -0.0200 -0.2091 149 SER C CB 4164 O OG . SER C 152 ? 0.3555 0.3663 0.5634 0.0263 -0.0318 -0.2271 149 SER C OG 4165 N N . TYR C 153 ? 0.2627 0.2957 0.4623 0.0036 -0.0385 -0.2147 150 TYR C N 4166 C CA . TYR C 153 ? 0.2745 0.3150 0.4669 0.0014 -0.0483 -0.2275 150 TYR C CA 4167 C C . TYR C 153 ? 0.3734 0.3925 0.5683 0.0069 -0.0608 -0.2527 150 TYR C C 4168 O O . TYR C 153 ? 0.3801 0.3682 0.5899 0.0053 -0.0650 -0.2548 150 TYR C O 4169 C CB . TYR C 153 ? 0.2668 0.3019 0.4689 -0.0140 -0.0518 -0.2130 150 TYR C CB 4170 C CG . TYR C 153 ? 0.2505 0.3013 0.4521 -0.0198 -0.0408 -0.1883 150 TYR C CG 4171 C CD1 . TYR C 153 ? 0.2694 0.3513 0.4564 -0.0182 -0.0363 -0.1823 150 TYR C CD1 4172 C CD2 . TYR C 153 ? 0.2389 0.2729 0.4543 -0.0268 -0.0356 -0.1710 150 TYR C CD2 4173 C CE1 . TYR C 153 ? 0.2598 0.3530 0.4473 -0.0236 -0.0273 -0.1598 150 TYR C CE1 4174 C CE2 . TYR C 153 ? 0.2250 0.2715 0.4398 -0.0315 -0.0264 -0.1501 150 TYR C CE2 4175 C CZ . TYR C 153 ? 0.3139 0.3885 0.5154 -0.0301 -0.0227 -0.1447 150 TYR C CZ 4176 O OH . TYR C 153 ? 0.3306 0.4145 0.5326 -0.0347 -0.0146 -0.1244 150 TYR C OH 4177 N N . LEU C 154 ? 0.3595 0.3950 0.5398 0.0132 -0.0674 -0.2715 151 LEU C N 4178 C CA . LEU C 154 ? 0.3923 0.4106 0.5721 0.0189 -0.0811 -0.2988 151 LEU C CA 4179 C C . LEU C 154 ? 0.4798 0.5105 0.6524 0.0128 -0.0917 -0.3076 151 LEU C C 4180 O O . LEU C 154 ? 0.4873 0.5510 0.6402 0.0192 -0.0891 -0.3118 151 LEU C O 4181 C CB . LEU C 154 ? 0.4091 0.4383 0.5747 0.0385 -0.0782 -0.3185 151 LEU C CB 4182 C CG . LEU C 154 ? 0.5009 0.5185 0.6604 0.0482 -0.0923 -0.3510 151 LEU C CG 4183 C CD1 . LEU C 154 ? 0.5196 0.4906 0.6999 0.0429 -0.1042 -0.3591 151 LEU C CD1 4184 C CD2 . LEU C 154 ? 0.5290 0.5669 0.6714 0.0690 -0.0867 -0.3684 151 LEU C CD2 4185 N N . THR C 155 ? 0.4517 0.4579 0.6407 -0.0001 -0.1036 -0.3089 152 THR C N 4186 C CA . THR C 155 ? 0.4673 0.4833 0.6525 -0.0068 -0.1159 -0.3186 152 THR C CA 4187 C C . THR C 155 ? 0.5400 0.5531 0.7129 0.0054 -0.1276 -0.3516 152 THR C C 4188 O O . THR C 155 ? 0.5519 0.5364 0.7323 0.0114 -0.1325 -0.3664 152 THR C O 4189 C CB . THR C 155 ? 0.6160 0.6096 0.8248 -0.0251 -0.1244 -0.3083 152 THR C CB 4190 O OG1 . THR C 155 ? 0.6873 0.6423 0.9140 -0.0271 -0.1306 -0.3153 152 THR C OG1 4191 C CG2 . THR C 155 ? 0.5473 0.5506 0.7647 -0.0356 -0.1132 -0.2774 152 THR C CG2 4192 N N . PHE C 156 ? 0.5044 0.5478 0.6571 0.0105 -0.1315 -0.3631 153 PHE C N 4193 C CA . PHE C 156 ? 0.5409 0.5874 0.6775 0.0242 -0.1418 -0.3958 153 PHE C CA 4194 C C . PHE C 156 ? 0.6044 0.6797 0.7240 0.0233 -0.1510 -0.4062 153 PHE C C 4195 O O . PHE C 156 ? 0.5793 0.6791 0.6958 0.0151 -0.1463 -0.3861 153 PHE C O 4196 C CB . PHE C 156 ? 0.5662 0.6307 0.6850 0.0438 -0.1291 -0.4020 153 PHE C CB 4197 C CG . PHE C 156 ? 0.5704 0.6820 0.6669 0.0500 -0.1163 -0.3898 153 PHE C CG 4198 C CD1 . PHE C 156 ? 0.5707 0.6967 0.6719 0.0398 -0.1041 -0.3579 153 PHE C CD1 4199 C CD2 . PHE C 156 ? 0.6199 0.7612 0.6907 0.0662 -0.1165 -0.4100 153 PHE C CD2 4200 C CE1 . PHE C 156 ? 0.5715 0.7391 0.6536 0.0446 -0.0931 -0.3454 153 PHE C CE1 4201 C CE2 . PHE C 156 ? 0.6417 0.8276 0.6925 0.0711 -0.1044 -0.3964 153 PHE C CE2 4202 C CZ . PHE C 156 ? 0.5824 0.7800 0.6396 0.0597 -0.0931 -0.3636 153 PHE C CZ 4203 N N . LEU C 157 ? 0.6006 0.6734 0.7083 0.0330 -0.1644 -0.4384 154 LEU C N 4204 C CA . LEU C 157 ? 0.6207 0.7222 0.7083 0.0357 -0.1744 -0.4537 154 LEU C CA 4205 C C . LEU C 157 ? 0.7064 0.8351 0.7650 0.0581 -0.1684 -0.4727 154 LEU C C 4206 O O . LEU C 157 ? 0.7354 0.8446 0.7917 0.0702 -0.1748 -0.4995 154 LEU C O 4207 C CB . LEU C 157 ? 0.6497 0.7257 0.7490 0.0267 -0.1972 -0.4764 154 LEU C CB 4208 C CG . LEU C 157 ? 0.6871 0.7527 0.8104 0.0042 -0.2043 -0.4575 154 LEU C CG 4209 C CD1 . LEU C 157 ? 0.6722 0.6982 0.8257 -0.0071 -0.2013 -0.4421 154 LEU C CD1 4210 C CD2 . LEU C 157 ? 0.7474 0.8068 0.8735 -0.0027 -0.2269 -0.4812 154 LEU C CD2 4211 N N . PRO C 158 ? 0.6547 0.8272 0.6925 0.0643 -0.1546 -0.4573 155 PRO C N 4212 C CA . PRO C 158 ? 0.6721 0.8743 0.6832 0.0856 -0.1464 -0.4723 155 PRO C CA 4213 C C . PRO C 158 ? 0.7754 0.9845 0.7665 0.0983 -0.1618 -0.5101 155 PRO C C 4214 O O . PRO C 158 ? 0.7727 0.9928 0.7563 0.0920 -0.1747 -0.5175 155 PRO C O 4215 C CB . PRO C 158 ? 0.6686 0.9162 0.6639 0.0848 -0.1318 -0.4454 155 PRO C CB 4216 C CG . PRO C 158 ? 0.7037 0.9480 0.7118 0.0655 -0.1379 -0.4257 155 PRO C CG 4217 C CD . PRO C 158 ? 0.6393 0.8359 0.6781 0.0525 -0.1454 -0.4246 155 PRO C CD 4218 N N . SER C 159 ? 0.7781 0.9797 0.7614 0.1166 -0.1610 -0.5347 156 SER C N 4219 C CA . SER C 159 ? 0.8311 1.0372 0.7940 0.1335 -0.1739 -0.5745 156 SER C CA 4220 C C . SER C 159 ? 0.9166 1.1558 0.8565 0.1573 -0.1590 -0.5831 156 SER C C 4221 O O . SER C 159 ? 0.8830 1.1218 0.8322 0.1607 -0.1428 -0.5654 156 SER C O 4222 C CB . SER C 159 ? 0.9001 1.0525 0.8829 0.1318 -0.1914 -0.6001 156 SER C CB 4223 O OG . SER C 159 ? 1.0056 1.1301 1.0051 0.1373 -0.1827 -0.5958 156 SER C OG 4224 N N . ALA C 160 ? 0.9344 1.2039 0.8445 0.1739 -0.1646 -0.6103 157 ALA C N 4225 C CA . ALA C 160 ? 0.9572 1.2662 0.8415 0.1980 -0.1513 -0.6212 157 ALA C CA 4226 C C . ALA C 160 ? 1.0379 1.3228 0.9327 0.2136 -0.1463 -0.6362 157 ALA C C 4227 O O . ALA C 160 ? 1.0234 1.3372 0.9114 0.2258 -0.1277 -0.6251 157 ALA C O 4228 C CB . ALA C 160 ? 1.0116 1.3489 0.8640 0.2124 -0.1628 -0.6534 157 ALA C CB 4229 N N . ASP C 161 ? 1.0286 1.2615 0.9406 0.2132 -0.1630 -0.6604 158 ASP C N 4230 C CA . ASP C 161 ? 1.0454 1.2497 0.9686 0.2286 -0.1613 -0.6769 158 ASP C CA 4231 C C . ASP C 161 ? 1.0506 1.2187 1.0075 0.2137 -0.1542 -0.6478 158 ASP C C 4232 O O . ASP C 161 ? 1.0611 1.1810 1.0384 0.2143 -0.1636 -0.6601 158 ASP C O 4233 C CB . ASP C 161 ? 1.1270 1.2945 1.0488 0.2389 -0.1840 -0.7211 158 ASP C CB 4234 C CG . ASP C 161 ? 1.2830 1.4170 1.2169 0.2183 -0.2061 -0.7281 158 ASP C CG 4235 O OD1 . ASP C 161 ? 1.2732 1.3681 1.2374 0.1980 -0.2098 -0.7084 158 ASP C OD1 4236 O OD2 . ASP C 161 ? 1.3875 1.5347 1.3011 0.2232 -0.2203 -0.7545 158 ASP C OD2 4237 N N . GLU C 162 ? 0.9522 1.1446 0.9139 0.2015 -0.1373 -0.6093 159 GLU C N 4238 C CA . GLU C 162 ? 0.9064 1.0723 0.8963 0.1879 -0.1288 -0.5798 159 GLU C CA 4239 C C . GLU C 162 ? 0.8906 1.0970 0.8762 0.1877 -0.1061 -0.5478 159 GLU C C 4240 O O . GLU C 162 ? 0.8623 1.1009 0.8378 0.1778 -0.0999 -0.5274 159 GLU C O 4241 C CB . GLU C 162 ? 0.9080 1.0411 0.9192 0.1618 -0.1397 -0.5637 159 GLU C CB 4242 C CG . GLU C 162 ? 1.0809 1.1555 1.1170 0.1566 -0.1546 -0.5769 159 GLU C CG 4243 C CD . GLU C 162 ? 1.3590 1.4038 1.4201 0.1304 -0.1610 -0.5543 159 GLU C CD 4244 O OE1 . GLU C 162 ? 1.3323 1.3839 1.3902 0.1177 -0.1710 -0.5545 159 GLU C OE1 4245 O OE2 . GLU C 162 ? 1.2587 1.2754 1.3427 0.1229 -0.1559 -0.5358 159 GLU C OE2 4246 N N . ILE C 163 ? 0.8209 1.0256 0.8150 0.1990 -0.0945 -0.5440 160 ILE C N 4247 C CA . ILE C 163 ? 0.7722 1.0102 0.7673 0.1986 -0.0737 -0.5143 160 ILE C CA 4248 C C . ILE C 163 ? 0.7554 0.9571 0.7798 0.1848 -0.0706 -0.4910 160 ILE C C 4249 O O . ILE C 163 ? 0.7563 0.9165 0.7968 0.1883 -0.0790 -0.5039 160 ILE C O 4250 C CB . ILE C 163 ? 0.8291 1.1059 0.8084 0.2232 -0.0610 -0.5263 160 ILE C CB 4251 C CG1 . ILE C 163 ? 0.8696 1.1178 0.8543 0.2432 -0.0690 -0.5586 160 ILE C CG1 4252 C CG2 . ILE C 163 ? 0.8566 1.1857 0.8048 0.2321 -0.0574 -0.5341 160 ILE C CG2 4253 C CD1 . ILE C 163 ? 0.9599 1.2312 0.9465 0.2618 -0.0536 -0.5572 160 ILE C CD1 4254 N N . TYR C 164 ? 0.6568 0.8727 0.6879 0.1689 -0.0596 -0.4568 161 TYR C N 4255 C CA . TYR C 164 ? 0.6111 0.7962 0.6679 0.1547 -0.0563 -0.4330 161 TYR C CA 4256 C C . TYR C 164 ? 0.6208 0.8290 0.6825 0.1585 -0.0385 -0.4117 161 TYR C C 4257 O O . TYR C 164 ? 0.6036 0.8569 0.6504 0.1639 -0.0265 -0.4035 161 TYR C O 4258 C CB . TYR C 164 ? 0.5932 0.7682 0.6576 0.1314 -0.0600 -0.4108 161 TYR C CB 4259 C CG . TYR C 164 ? 0.6281 0.7787 0.6926 0.1242 -0.0783 -0.4285 161 TYR C CG 4260 C CD1 . TYR C 164 ? 0.6583 0.7600 0.7436 0.1167 -0.0907 -0.4352 161 TYR C CD1 4261 C CD2 . TYR C 164 ? 0.6501 0.8273 0.6949 0.1238 -0.0837 -0.4366 161 TYR C CD2 4262 C CE1 . TYR C 164 ? 0.6877 0.7676 0.7757 0.1082 -0.1080 -0.4503 161 TYR C CE1 4263 C CE2 . TYR C 164 ? 0.6840 0.8402 0.7302 0.1162 -0.1015 -0.4529 161 TYR C CE2 4264 C CZ . TYR C 164 ? 0.7868 0.8942 0.8555 0.1079 -0.1137 -0.4597 161 TYR C CZ 4265 O OH . TYR C 164 ? 0.8260 0.9137 0.8984 0.0990 -0.1317 -0.4748 161 TYR C OH 4266 N N . ASP C 165 ? 0.5603 0.7377 0.6437 0.1548 -0.0373 -0.4020 162 ASP C N 4267 C CA . ASP C 165 ? 0.5278 0.7206 0.6203 0.1564 -0.0225 -0.3815 162 ASP C CA 4268 C C . ASP C 165 ? 0.5350 0.6945 0.6497 0.1392 -0.0230 -0.3584 162 ASP C C 4269 O O . ASP C 165 ? 0.5287 0.6458 0.6565 0.1344 -0.0344 -0.3652 162 ASP C O 4270 C CB . ASP C 165 ? 0.5723 0.7682 0.6660 0.1787 -0.0198 -0.4003 162 ASP C CB 4271 C CG . ASP C 165 ? 0.7336 0.9751 0.8051 0.1974 -0.0136 -0.4173 162 ASP C CG 4272 O OD1 . ASP C 165 ? 0.7802 1.0183 0.8377 0.2073 -0.0238 -0.4447 162 ASP C OD1 4273 O OD2 . ASP C 165 ? 0.7859 1.0674 0.8544 0.2022 0.0013 -0.4033 162 ASP C OD2 4274 N N . CYS C 166 ? 0.4657 0.6448 0.5847 0.1299 -0.0107 -0.3308 163 CYS C N 4275 C CA . CYS C 166 ? 0.4406 0.5928 0.5791 0.1155 -0.0095 -0.3088 163 CYS C CA 4276 C C . CYS C 166 ? 0.4486 0.6034 0.5977 0.1257 -0.0018 -0.3052 163 CYS C C 4277 O O . CYS C 166 ? 0.4240 0.6161 0.5677 0.1321 0.0099 -0.2983 163 CYS C O 4278 C CB . CYS C 166 ? 0.4254 0.5927 0.5633 0.0981 -0.0030 -0.2818 163 CYS C CB 4279 S SG . CYS C 166 ? 0.4510 0.5884 0.6108 0.0820 -0.0009 -0.2557 163 CYS C SG 4280 N N . LYS C 167 ? 0.4030 0.5195 0.5673 0.1279 -0.0087 -0.3106 164 LYS C N 4281 C CA . LYS C 167 ? 0.3964 0.5123 0.5721 0.1381 -0.0032 -0.3075 164 LYS C CA 4282 C C . LYS C 167 ? 0.3960 0.4993 0.5864 0.1227 0.0012 -0.2800 164 LYS C C 4283 O O . LYS C 167 ? 0.3775 0.4488 0.5761 0.1092 -0.0056 -0.2720 164 LYS C O 4284 C CB . LYS C 167 ? 0.4649 0.5482 0.6475 0.1525 -0.0135 -0.3304 164 LYS C CB 4285 N N . VAL C 168 ? 0.3330 0.4642 0.5264 0.1246 0.0126 -0.2657 165 VAL C N 4286 C CA . VAL C 168 ? 0.3035 0.4294 0.5088 0.1113 0.0176 -0.2405 165 VAL C CA 4287 C C . VAL C 168 ? 0.3593 0.4863 0.5769 0.1219 0.0211 -0.2384 165 VAL C C 4288 O O . VAL C 168 ? 0.3545 0.5138 0.5697 0.1347 0.0281 -0.2440 165 VAL C O 4289 C CB . VAL C 168 ? 0.3215 0.4808 0.5199 0.0997 0.0273 -0.2214 165 VAL C CB 4290 C CG1 . VAL C 168 ? 0.2890 0.4391 0.4992 0.0855 0.0308 -0.1972 165 VAL C CG1 4291 C CG2 . VAL C 168 ? 0.3212 0.4830 0.5067 0.0916 0.0235 -0.2240 165 VAL C CG2 4292 N N . GLU C 169 ? 0.3150 0.4089 0.5460 0.1163 0.0164 -0.2295 166 GLU C N 4293 C CA . GLU C 169 ? 0.3142 0.4065 0.5577 0.1249 0.0184 -0.2252 166 GLU C CA 4294 C C . GLU C 169 ? 0.3312 0.4227 0.5827 0.1100 0.0227 -0.2004 166 GLU C C 4295 O O . GLU C 169 ? 0.3146 0.3791 0.5688 0.0966 0.0183 -0.1904 166 GLU C O 4296 C CB . GLU C 169 ? 0.3562 0.4097 0.6084 0.1346 0.0081 -0.2379 166 GLU C CB 4297 C CG . GLU C 169 ? 0.5531 0.6032 0.7991 0.1519 0.0024 -0.2650 166 GLU C CG 4298 C CD . GLU C 169 ? 0.9431 0.9456 1.1941 0.1517 -0.0109 -0.2762 166 GLU C CD 4299 O OE1 . GLU C 169 ? 0.9462 0.9418 1.1885 0.1538 -0.0173 -0.2940 166 GLU C OE1 4300 O OE2 . GLU C 169 ? 0.9046 0.8773 1.1686 0.1487 -0.0155 -0.2665 166 GLU C OE2 4301 N N . HIS C 170 ? 0.2772 0.3998 0.5328 0.1127 0.0311 -0.1911 167 HIS C N 4302 C CA . HIS C 170 ? 0.2538 0.3803 0.5171 0.1004 0.0352 -0.1695 167 HIS C CA 4303 C C . HIS C 170 ? 0.3145 0.4620 0.5881 0.1114 0.0392 -0.1679 167 HIS C C 4304 O O . HIS C 170 ? 0.3284 0.4999 0.6010 0.1264 0.0423 -0.1806 167 HIS C O 4305 C CB . HIS C 170 ? 0.2476 0.3976 0.5036 0.0863 0.0418 -0.1565 167 HIS C CB 4306 C CG . HIS C 170 ? 0.2683 0.4137 0.5307 0.0715 0.0437 -0.1358 167 HIS C CG 4307 N ND1 . HIS C 170 ? 0.2801 0.4450 0.5517 0.0719 0.0483 -0.1260 167 HIS C ND1 4308 C CD2 . HIS C 170 ? 0.2789 0.4034 0.5396 0.0568 0.0413 -0.1246 167 HIS C CD2 4309 C CE1 . HIS C 170 ? 0.2539 0.4069 0.5283 0.0576 0.0478 -0.1102 167 HIS C CE1 4310 N NE2 . HIS C 170 ? 0.2568 0.3861 0.5247 0.0487 0.0441 -0.1088 167 HIS C NE2 4311 N N . TRP C 171 ? 0.2617 0.4024 0.5451 0.1046 0.0390 -0.1527 168 TRP C N 4312 C CA . TRP C 171 ? 0.2590 0.4195 0.5540 0.1136 0.0417 -0.1494 168 TRP C CA 4313 C C . TRP C 171 ? 0.3083 0.5168 0.6043 0.1130 0.0515 -0.1443 168 TRP C C 4314 O O . TRP C 171 ? 0.3052 0.5384 0.6106 0.1241 0.0545 -0.1461 168 TRP C O 4315 C CB . TRP C 171 ? 0.2288 0.3703 0.5324 0.1048 0.0381 -0.1340 168 TRP C CB 4316 C CG . TRP C 171 ? 0.2514 0.3496 0.5562 0.1066 0.0292 -0.1366 168 TRP C CG 4317 C CD1 . TRP C 171 ? 0.3097 0.3871 0.6153 0.1203 0.0232 -0.1517 168 TRP C CD1 4318 C CD2 . TRP C 171 ? 0.2388 0.3101 0.5449 0.0943 0.0252 -0.1229 168 TRP C CD2 4319 N NE1 . TRP C 171 ? 0.3052 0.3437 0.6134 0.1159 0.0158 -0.1468 168 TRP C NE1 4320 C CE2 . TRP C 171 ? 0.3053 0.3410 0.6133 0.1003 0.0174 -0.1289 168 TRP C CE2 4321 C CE3 . TRP C 171 ? 0.2326 0.3061 0.5381 0.0790 0.0275 -0.1064 168 TRP C CE3 4322 C CZ2 . TRP C 171 ? 0.2950 0.3007 0.6044 0.0912 0.0126 -0.1175 168 TRP C CZ2 4323 C CZ3 . TRP C 171 ? 0.2469 0.2907 0.5525 0.0713 0.0227 -0.0971 168 TRP C CZ3 4324 C CH2 . TRP C 171 ? 0.2732 0.2850 0.5807 0.0772 0.0158 -0.1018 168 TRP C CH2 4325 N N . GLY C 172 ? 0.2573 0.4789 0.5445 0.1002 0.0561 -0.1371 169 GLY C N 4326 C CA . GLY C 172 ? 0.2436 0.5092 0.5306 0.0970 0.0654 -0.1300 169 GLY C CA 4327 C C . GLY C 172 ? 0.3003 0.5938 0.5796 0.1117 0.0701 -0.1455 169 GLY C C 4328 O O . GLY C 172 ? 0.2929 0.6275 0.5721 0.1115 0.0787 -0.1403 169 GLY C O 4329 N N . LEU C 173 ? 0.2684 0.5398 0.5409 0.1244 0.0642 -0.1647 170 LEU C N 4330 C CA . LEU C 173 ? 0.2865 0.5787 0.5501 0.1413 0.0668 -0.1840 170 LEU C CA 4331 C C . LEU C 173 ? 0.3848 0.6747 0.6578 0.1620 0.0640 -0.1985 170 LEU C C 4332 O O . LEU C 173 ? 0.3853 0.6379 0.6654 0.1641 0.0556 -0.2006 170 LEU C O 4333 C CB . LEU C 173 ? 0.2946 0.5624 0.5429 0.1406 0.0607 -0.1972 170 LEU C CB 4334 C CG . LEU C 173 ? 0.3317 0.6010 0.5690 0.1228 0.0622 -0.1857 170 LEU C CG 4335 C CD1 . LEU C 173 ? 0.3457 0.5846 0.5720 0.1225 0.0536 -0.1995 170 LEU C CD1 4336 C CD2 . LEU C 173 ? 0.3387 0.6562 0.5678 0.1229 0.0725 -0.1809 170 LEU C CD2 4337 N N . ASP C 174 ? 0.3751 0.7057 0.6484 0.1778 0.0712 -0.2077 171 ASP C N 4338 C CA . ASP C 174 ? 0.4026 0.7367 0.6848 0.2004 0.0695 -0.2230 171 ASP C CA 4339 C C . ASP C 174 ? 0.4764 0.7860 0.7476 0.2162 0.0623 -0.2488 171 ASP C C 4340 O O . ASP C 174 ? 0.4929 0.7844 0.7711 0.2334 0.0563 -0.2629 171 ASP C O 4341 C CB . ASP C 174 ? 0.4341 0.8258 0.7223 0.2110 0.0809 -0.2216 171 ASP C CB 4342 C CG . ASP C 174 ? 0.6208 1.0349 0.9246 0.1973 0.0860 -0.1979 171 ASP C CG 4343 O OD1 . ASP C 174 ? 0.6329 1.0316 0.9513 0.1996 0.0810 -0.1933 171 ASP C OD1 4344 O OD2 . ASP C 174 ? 0.7149 1.1617 1.0165 0.1844 0.0944 -0.1837 171 ASP C OD2 4345 N N . GLU C 175 ? 0.4300 0.7389 0.6843 0.2104 0.0622 -0.2551 172 GLU C N 4346 C CA . GLU C 175 ? 0.4516 0.7376 0.6937 0.2220 0.0544 -0.2797 172 GLU C CA 4347 C C . GLU C 175 ? 0.4795 0.7380 0.7108 0.2030 0.0488 -0.2748 172 GLU C C 4348 O O . GLU C 175 ? 0.4373 0.7129 0.6654 0.1858 0.0547 -0.2559 172 GLU C O 4349 C CB . GLU C 175 ? 0.4881 0.8176 0.7181 0.2403 0.0617 -0.2974 172 GLU C CB 4350 N N . PRO C 176 ? 0.4617 0.6784 0.6885 0.2054 0.0370 -0.2909 173 PRO C N 4351 C CA . PRO C 176 ? 0.4503 0.6453 0.6680 0.1875 0.0317 -0.2864 173 PRO C CA 4352 C C . PRO C 176 ? 0.4916 0.7241 0.6914 0.1859 0.0382 -0.2892 173 PRO C C 4353 O O . PRO C 176 ? 0.5063 0.7634 0.6962 0.2033 0.0405 -0.3083 173 PRO C O 4354 C CB . PRO C 176 ? 0.5017 0.6508 0.7196 0.1943 0.0178 -0.3069 173 PRO C CB 4355 C CG . PRO C 176 ? 0.5762 0.7140 0.8068 0.2123 0.0153 -0.3160 173 PRO C CG 4356 C CD . PRO C 176 ? 0.5159 0.7046 0.7462 0.2246 0.0276 -0.3145 173 PRO C CD 4357 N N . LEU C 177 ? 0.4222 0.6614 0.6180 0.1661 0.0415 -0.2696 174 LEU C N 4358 C CA . LEU C 177 ? 0.4166 0.6913 0.5958 0.1629 0.0477 -0.2680 174 LEU C CA 4359 C C . LEU C 177 ? 0.4852 0.7404 0.6505 0.1619 0.0379 -0.2845 174 LEU C C 4360 O O . LEU C 177 ? 0.4770 0.6922 0.6473 0.1510 0.0283 -0.2831 174 LEU C O 4361 C CB . LEU C 177 ? 0.3852 0.6751 0.5670 0.1428 0.0550 -0.2393 174 LEU C CB 4362 C CG . LEU C 177 ? 0.4393 0.7816 0.6113 0.1432 0.0668 -0.2305 174 LEU C CG 4363 C CD1 . LEU C 177 ? 0.4375 0.8130 0.6206 0.1523 0.0767 -0.2249 174 LEU C CD1 4364 C CD2 . LEU C 177 ? 0.4400 0.7861 0.6103 0.1221 0.0698 -0.2061 174 LEU C CD2 4365 N N . LEU C 178 ? 0.4583 0.7439 0.6063 0.1736 0.0403 -0.3002 175 LEU C N 4366 C CA . LEU C 178 ? 0.4755 0.7491 0.6083 0.1745 0.0307 -0.3182 175 LEU C CA 4367 C C . LEU C 178 ? 0.5070 0.8198 0.6222 0.1682 0.0374 -0.3093 175 LEU C C 4368 O O . LEU C 178 ? 0.5060 0.8641 0.6123 0.1779 0.0481 -0.3085 175 LEU C O 4369 C CB . LEU C 178 ? 0.5156 0.7838 0.6419 0.1973 0.0242 -0.3511 175 LEU C CB 4370 C CG . LEU C 178 ? 0.5913 0.8049 0.7305 0.1999 0.0104 -0.3653 175 LEU C CG 4371 C CD1 . LEU C 178 ? 0.5863 0.7890 0.7445 0.2069 0.0137 -0.3588 175 LEU C CD1 4372 C CD2 . LEU C 178 ? 0.6566 0.8604 0.7840 0.2173 0.0003 -0.3992 175 LEU C CD2 4373 N N . LYS C 179 ? 0.4421 0.7385 0.5535 0.1516 0.0313 -0.3004 176 LYS C N 4374 C CA . LYS C 179 ? 0.4279 0.7555 0.5232 0.1441 0.0355 -0.2902 176 LYS C CA 4375 C C . LYS C 179 ? 0.5111 0.8271 0.5914 0.1475 0.0233 -0.3126 176 LYS C C 4376 O O . LYS C 179 ? 0.5004 0.7767 0.5881 0.1383 0.0116 -0.3166 176 LYS C O 4377 C CB . LYS C 179 ? 0.4123 0.7331 0.5168 0.1223 0.0388 -0.2597 176 LYS C CB 4378 C CG . LYS C 179 ? 0.4763 0.8396 0.5688 0.1162 0.0485 -0.2410 176 LYS C CG 4379 C CD . LYS C 179 ? 0.5399 0.9367 0.6392 0.1184 0.0626 -0.2248 176 LYS C CD 4380 C CE . LYS C 179 ? 0.5816 1.0244 0.6678 0.1150 0.0724 -0.2086 176 LYS C CE 4381 N NZ . LYS C 179 ? 0.6283 1.0618 0.7154 0.0957 0.0710 -0.1854 176 LYS C NZ 4382 N N . HIS C 180 ? 0.5099 0.8614 0.5698 0.1618 0.0258 -0.3285 177 HIS C N 4383 C CA . HIS C 180 ? 0.5449 0.8937 0.5870 0.1691 0.0144 -0.3542 177 HIS C CA 4384 C C . HIS C 180 ? 0.5916 0.9513 0.6216 0.1550 0.0113 -0.3423 177 HIS C C 4385 O O . HIS C 180 ? 0.5720 0.9578 0.6002 0.1451 0.0213 -0.3162 177 HIS C O 4386 C CB . HIS C 180 ? 0.5846 0.9724 0.6086 0.1924 0.0199 -0.3758 177 HIS C CB 4387 C CG . HIS C 180 ? 0.6674 1.0530 0.6719 0.2034 0.0078 -0.4068 177 HIS C CG 4388 N ND1 . HIS C 180 ? 0.7026 1.1232 0.6837 0.2033 0.0084 -0.4073 177 HIS C ND1 4389 C CD2 . HIS C 180 ? 0.7201 1.0723 0.7259 0.2145 -0.0057 -0.4377 177 HIS C CD2 4390 C CE1 . HIS C 180 ? 0.7307 1.1391 0.6989 0.2144 -0.0049 -0.4394 177 HIS C CE1 4391 N NE2 . HIS C 180 ? 0.7477 1.1142 0.7305 0.2211 -0.0140 -0.4589 177 HIS C NE2 4392 N N . TRP C 181 ? 0.5680 0.9070 0.5906 0.1543 -0.0034 -0.3619 178 TRP C N 4393 C CA . TRP C 181 ? 0.5720 0.9197 0.5822 0.1435 -0.0097 -0.3567 178 TRP C CA 4394 C C . TRP C 181 ? 0.6730 1.0161 0.6673 0.1542 -0.0239 -0.3902 178 TRP C C 4395 O O . TRP C 181 ? 0.6894 0.9984 0.6917 0.1608 -0.0343 -0.4135 178 TRP C O 4396 C CB . TRP C 181 ? 0.5291 0.8425 0.5578 0.1218 -0.0153 -0.3366 178 TRP C CB 4397 C CG . TRP C 181 ? 0.5371 0.8628 0.5553 0.1103 -0.0202 -0.3267 178 TRP C CG 4398 C CD1 . TRP C 181 ? 0.5526 0.9045 0.5667 0.1007 -0.0112 -0.2989 178 TRP C CD1 4399 C CD2 . TRP C 181 ? 0.5547 0.8674 0.5663 0.1076 -0.0361 -0.3445 178 TRP C CD2 4400 N NE1 . TRP C 181 ? 0.5499 0.9058 0.5550 0.0929 -0.0202 -0.2976 178 TRP C NE1 4401 C CE2 . TRP C 181 ? 0.5925 0.9260 0.5960 0.0966 -0.0356 -0.3255 178 TRP C CE2 4402 C CE3 . TRP C 181 ? 0.5967 0.8805 0.6100 0.1125 -0.0516 -0.3743 178 TRP C CE3 4403 C CZ2 . TRP C 181 ? 0.5985 0.9284 0.5951 0.0913 -0.0497 -0.3355 178 TRP C CZ2 4404 C CZ3 . TRP C 181 ? 0.6309 0.9105 0.6376 0.1062 -0.0659 -0.3847 178 TRP C CZ3 4405 C CH2 . TRP C 181 ? 0.6263 0.9298 0.6248 0.0958 -0.0648 -0.3655 178 TRP C CH2 4406 N N . GLU C 182 ? 0.6523 1.0285 0.6241 0.1556 -0.0253 -0.3923 179 GLU C N 4407 C CA . GLU C 182 ? 0.6952 1.0712 0.6492 0.1649 -0.0397 -0.4238 179 GLU C CA 4408 C C . GLU C 182 ? 0.7552 1.1525 0.6942 0.1545 -0.0448 -0.4140 179 GLU C C 4409 O O . GLU C 182 ? 0.7272 1.1585 0.6591 0.1493 -0.0329 -0.3875 179 GLU C O 4410 C CB . GLU C 182 ? 0.7472 1.1532 0.6812 0.1899 -0.0355 -0.4501 179 GLU C CB 4411 C CG . GLU C 182 ? 0.8884 1.3532 0.8038 0.1981 -0.0180 -0.4347 179 GLU C CG 4412 C CD . GLU C 182 ? 1.2082 1.7082 1.0977 0.2227 -0.0167 -0.4638 179 GLU C CD 4413 O OE1 . GLU C 182 ? 1.1039 1.6156 0.9716 0.2275 -0.0272 -0.4828 179 GLU C OE1 4414 O OE2 . GLU C 182 ? 1.1706 1.6883 1.0615 0.2377 -0.0051 -0.4679 179 GLU C OE2 4415 N N . PRO C 183 ? 0.7438 1.1211 0.6796 0.1507 -0.0629 -0.4337 180 PRO C N 4416 C CA . PRO C 183 ? 0.7928 1.1918 0.7149 0.1415 -0.0686 -0.4243 180 PRO C CA 4417 C C . PRO C 183 ? 1.2675 1.7175 1.1561 0.1573 -0.0655 -0.4363 180 PRO C C 4418 O O . PRO C 183 ? 0.8018 1.2919 0.6790 0.1602 -0.0502 -0.4150 180 PRO C O 4419 C CB . PRO C 183 ? 0.8232 1.1831 0.7556 0.1329 -0.0895 -0.4439 180 PRO C CB 4420 C CG . PRO C 183 ? 0.8892 1.2211 0.8262 0.1461 -0.0964 -0.4755 180 PRO C CG 4421 C CD . PRO C 183 ? 0.8043 1.1386 0.7496 0.1542 -0.0796 -0.4647 180 PRO C CD 4422 N N . ASP D 32 ? 0.5718 0.8015 0.8607 0.3720 -0.0269 -0.1857 2 ASP D N 4423 C CA . ASP D 32 ? 0.6013 0.7879 0.8719 0.3882 -0.0387 -0.2071 2 ASP D CA 4424 C C . ASP D 32 ? 0.6216 0.7613 0.8802 0.3598 -0.0401 -0.1998 2 ASP D C 4425 O O . ASP D 32 ? 0.6535 0.7401 0.8991 0.3657 -0.0545 -0.2124 2 ASP D O 4426 C CB . ASP D 32 ? 0.6398 0.8749 0.9037 0.4145 -0.0314 -0.2272 2 ASP D CB 4427 N N . SER D 33 ? 0.5071 0.6667 0.7708 0.3295 -0.0261 -0.1796 3 SER D N 4428 C CA . SER D 33 ? 0.4738 0.5971 0.7283 0.3020 -0.0255 -0.1708 3 SER D CA 4429 C C . SER D 33 ? 0.4851 0.5673 0.7454 0.2791 -0.0323 -0.1530 3 SER D C 4430 O O . SER D 33 ? 0.4683 0.5710 0.7424 0.2734 -0.0287 -0.1399 3 SER D O 4431 C CB . SER D 33 ? 0.4750 0.6425 0.7307 0.2841 -0.0073 -0.1599 3 SER D CB 4432 O OG . SER D 33 ? 0.5316 0.6667 0.7807 0.2572 -0.0064 -0.1494 3 SER D OG 4433 N N . PRO D 34 ? 0.4181 0.4457 0.6680 0.2654 -0.0421 -0.1520 4 PRO D N 4434 C CA . PRO D 34 ? 0.3902 0.3829 0.6448 0.2438 -0.0482 -0.1346 4 PRO D CA 4435 C C . PRO D 34 ? 0.3643 0.3828 0.6273 0.2170 -0.0341 -0.1145 4 PRO D C 4436 O O . PRO D 34 ? 0.3362 0.3815 0.5975 0.2073 -0.0216 -0.1122 4 PRO D O 4437 C CB . PRO D 34 ? 0.4318 0.3700 0.6732 0.2348 -0.0596 -0.1386 4 PRO D CB 4438 C CG . PRO D 34 ? 0.5232 0.4583 0.7536 0.2586 -0.0651 -0.1620 4 PRO D CG 4439 C CD . PRO D 34 ? 0.4538 0.4510 0.6878 0.2693 -0.0489 -0.1667 4 PRO D CD 4440 N N . GLU D 35 ? 0.2904 0.3007 0.5622 0.2059 -0.0370 -0.1003 5 GLU D N 4441 C CA . GLU D 35 ? 0.2416 0.2697 0.5212 0.1812 -0.0269 -0.0825 5 GLU D CA 4442 C C . GLU D 35 ? 0.2693 0.2635 0.5403 0.1577 -0.0277 -0.0745 5 GLU D C 4443 O O . GLU D 35 ? 0.2846 0.2372 0.5483 0.1564 -0.0392 -0.0759 5 GLU D O 4444 C CB . GLU D 35 ? 0.2549 0.2871 0.5456 0.1808 -0.0314 -0.0727 5 GLU D CB 4445 C CG . GLU D 35 ? 0.3781 0.4366 0.6788 0.1596 -0.0215 -0.0571 5 GLU D CG 4446 C CD . GLU D 35 ? 0.6773 0.7620 0.9918 0.1661 -0.0230 -0.0516 5 GLU D CD 4447 O OE1 . GLU D 35 ? 0.5732 0.6358 0.8887 0.1632 -0.0322 -0.0448 5 GLU D OE1 4448 O OE2 . GLU D 35 ? 0.6580 0.7881 0.9825 0.1738 -0.0150 -0.0534 5 GLU D OE2 4449 N N . ASP D 36 ? 0.1817 0.1956 0.4539 0.1400 -0.0157 -0.0666 6 ASP D N 4450 C CA . ASP D 36 ? 0.1579 0.1475 0.4177 0.1120 -0.0159 -0.0579 6 ASP D CA 4451 C C . ASP D 36 ? 0.1654 0.1743 0.4387 0.0985 -0.0055 -0.0446 6 ASP D C 4452 O O . ASP D 36 ? 0.1686 0.2130 0.4488 0.0980 0.0042 -0.0425 6 ASP D O 4453 C CB . ASP D 36 ? 0.1698 0.1539 0.4241 0.1191 -0.0123 -0.0676 6 ASP D CB 4454 C CG . ASP D 36 ? 0.2116 0.1606 0.4576 0.1030 -0.0168 -0.0635 6 ASP D CG 4455 O OD1 . ASP D 36 ? 0.2130 0.1414 0.4608 0.0914 -0.0220 -0.0540 6 ASP D OD1 4456 O OD2 . ASP D 36 ? 0.1989 0.1443 0.4366 0.1018 -0.0149 -0.0695 6 ASP D OD2 4457 N N . PHE D 37 ? 0.1057 0.0960 0.3590 0.0617 -0.0104 -0.0334 7 PHE D N 4458 C CA . PHE D 37 ? 0.0744 0.0739 0.3239 0.0355 -0.0032 -0.0220 7 PHE D CA 4459 C C . PHE D 37 ? 0.1019 0.0800 0.3689 0.0491 0.0003 -0.0218 7 PHE D C 4460 O O . PHE D 37 ? 0.1181 0.0672 0.3781 0.0460 -0.0071 -0.0217 7 PHE D O 4461 C CB . PHE D 37 ? 0.0773 0.0736 0.3408 0.0373 -0.0069 -0.0146 7 PHE D CB 4462 C CG . PHE D 37 ? 0.0918 0.1046 0.3720 0.0598 -0.0087 -0.0162 7 PHE D CG 4463 C CD1 . PHE D 37 ? 0.0952 0.1468 0.3984 0.0676 -0.0008 -0.0130 7 PHE D CD1 4464 C CD2 . PHE D 37 ? 0.1257 0.1241 0.4162 0.0851 -0.0190 -0.0204 7 PHE D CD2 4465 C CE1 . PHE D 37 ? 0.1090 0.1839 0.4223 0.0797 -0.0027 -0.0139 7 PHE D CE1 4466 C CE2 . PHE D 37 ? 0.1669 0.1864 0.4668 0.0990 -0.0212 -0.0219 7 PHE D CE2 4467 C CZ . PHE D 37 ? 0.1252 0.1849 0.4368 0.0962 -0.0127 -0.0186 7 PHE D CZ 4468 N N . VAL D 38 ? 0.0504 0.0497 0.2909 0.0109 0.0071 -0.0163 8 VAL D N 4469 C CA . VAL D 38 ? 0.0383 0.0388 0.2623 -0.0005 0.0086 -0.0137 8 VAL D CA 4470 C C . VAL D 38 ? 0.0389 0.0382 0.2829 -0.0004 0.0149 -0.0068 8 VAL D C 4471 O O . VAL D 38 ? 0.0394 0.0380 0.2649 -0.0002 0.0180 -0.0027 8 VAL D O 4472 C CB . VAL D 38 ? 0.0616 0.0589 0.3010 0.0195 0.0150 -0.0224 8 VAL D CB 4473 C CG1 . VAL D 38 ? 0.0447 0.0423 0.2753 0.0027 0.0159 -0.0193 8 VAL D CG1 4474 C CG2 . VAL D 38 ? 0.0815 0.0763 0.3156 0.0372 0.0092 -0.0343 8 VAL D CG2 4475 N N . TYR D 39 ? 0.0385 0.0381 0.2236 -0.0002 0.0095 -0.0037 9 TYR D N 4476 C CA . TYR D 39 ? 0.0387 0.0380 0.2098 0.0000 0.0113 -0.0001 9 TYR D CA 4477 C C . TYR D 39 ? 0.0394 0.0380 0.2678 -0.0001 0.0180 -0.0015 9 TYR D C 4478 O O . TYR D 39 ? 0.0389 0.0381 0.2561 -0.0002 0.0137 -0.0035 9 TYR D O 4479 C CB . TYR D 39 ? 0.0383 0.0380 0.2220 0.0001 0.0081 0.0031 9 TYR D CB 4480 C CG . TYR D 39 ? 0.0385 0.0382 0.2219 0.0003 0.0100 0.0057 9 TYR D CG 4481 C CD1 . TYR D 39 ? 0.0387 0.0382 0.2318 0.0004 0.0121 0.0063 9 TYR D CD1 4482 C CD2 . TYR D 39 ? 0.0385 0.0383 0.2230 0.0004 0.0096 0.0074 9 TYR D CD2 4483 C CE1 . TYR D 39 ? 0.0389 0.0383 0.2282 0.0005 0.0129 0.0074 9 TYR D CE1 4484 C CE2 . TYR D 39 ? 0.0386 0.0384 0.2321 0.0005 0.0107 0.0090 9 TYR D CE2 4485 C CZ . TYR D 39 ? 0.1085 0.0789 0.3725 -0.0453 0.0187 0.0160 9 TYR D CZ 4486 O OH . TYR D 39 ? 0.1301 0.1037 0.3955 -0.0521 0.0194 0.0165 9 TYR D OH 4487 N N . GLN D 40 ? 0.0401 0.0380 0.2382 0.0000 0.0206 0.0003 10 GLN D N 4488 C CA . GLN D 40 ? 0.0405 0.0380 0.2248 0.0000 0.0215 0.0001 10 GLN D CA 4489 C C . GLN D 40 ? 0.0641 0.0474 0.2982 -0.0141 0.0282 0.0053 10 GLN D C 4490 O O . GLN D 40 ? 0.0716 0.0546 0.3130 -0.0212 0.0300 0.0088 10 GLN D O 4491 C CB . GLN D 40 ? 0.0417 0.0380 0.2307 -0.0001 0.0266 -0.0009 10 GLN D CB 4492 C CG . GLN D 40 ? 0.0618 0.0453 0.3040 -0.0093 0.0335 -0.0055 10 GLN D CG 4493 C CD . GLN D 40 ? 0.2613 0.2658 0.5024 -0.0050 0.0400 -0.0057 10 GLN D CD 4494 O OE1 . GLN D 40 ? 0.1121 0.1159 0.3475 -0.0080 0.0422 -0.0046 10 GLN D OE1 4495 N NE2 . GLN D 40 ? 0.1383 0.1641 0.3849 0.0023 0.0431 -0.0064 10 GLN D NE2 4496 N N . PHE D 41 ? 0.0407 0.0380 0.2508 0.0003 0.0241 0.0029 11 PHE D N 4497 C CA . PHE D 41 ? 0.0408 0.0381 0.2364 0.0005 0.0235 0.0040 11 PHE D CA 4498 C C . PHE D 41 ? 0.0945 0.0593 0.3220 -0.0325 0.0308 0.0088 11 PHE D C 4499 O O . PHE D 41 ? 0.1077 0.0611 0.3344 -0.0384 0.0293 0.0078 11 PHE D O 4500 C CB . PHE D 41 ? 0.0401 0.0381 0.2423 0.0005 0.0209 0.0052 11 PHE D CB 4501 C CG . PHE D 41 ? 0.0402 0.0381 0.2325 0.0005 0.0209 0.0051 11 PHE D CG 4502 C CD1 . PHE D 41 ? 0.0418 0.0387 0.2466 -0.0002 0.0233 0.0052 11 PHE D CD1 4503 C CD2 . PHE D 41 ? 0.0447 0.0401 0.2433 -0.0023 0.0209 0.0059 11 PHE D CD2 4504 C CE1 . PHE D 41 ? 0.0491 0.0421 0.2540 -0.0052 0.0240 0.0049 11 PHE D CE1 4505 C CE2 . PHE D 41 ? 0.0673 0.0505 0.2718 -0.0175 0.0231 0.0076 11 PHE D CE2 4506 C CZ . PHE D 41 ? 0.0455 0.0404 0.2433 -0.0029 0.0232 0.0043 11 PHE D CZ 4507 N N . LYS D 42 ? 0.0707 0.0514 0.2896 -0.0183 0.0323 0.0083 12 LYS D N 4508 C CA . LYS D 42 ? 0.0720 0.0519 0.2868 -0.0187 0.0341 0.0089 12 LYS D CA 4509 C C . LYS D 42 ? 0.1089 0.0694 0.3384 -0.0434 0.0366 0.0149 12 LYS D C 4510 O O . LYS D 42 ? 0.1063 0.0696 0.3388 -0.0423 0.0366 0.0165 12 LYS D O 4511 C CB . LYS D 42 ? 0.0912 0.0654 0.3178 -0.0334 0.0401 0.0146 12 LYS D CB 4512 C CG . LYS D 42 ? 0.1508 0.1236 0.3850 -0.0404 0.0428 0.0135 12 LYS D CG 4513 C CD . LYS D 42 ? 0.2136 0.2040 0.4503 -0.0382 0.0480 0.0178 12 LYS D CD 4514 C CE . LYS D 42 ? 0.2003 0.2004 0.4321 -0.0287 0.0487 0.0117 12 LYS D CE 4515 N NZ . LYS D 42 ? 0.1368 0.1601 0.3703 -0.0262 0.0545 0.0166 12 LYS D NZ 4516 N N . GLY D 43 ? 0.0835 0.0565 0.2970 -0.0261 0.0329 0.0103 13 GLY D N 4517 C CA . GLY D 43 ? 0.0862 0.0577 0.3003 -0.0278 0.0326 0.0109 13 GLY D CA 4518 C C . GLY D 43 ? 0.1277 0.0774 0.3568 -0.0532 0.0376 0.0185 13 GLY D C 4519 O O . GLY D 43 ? 0.1174 0.0726 0.3389 -0.0482 0.0365 0.0166 13 GLY D O 4520 N N . MET D 44 ? 0.1096 0.0681 0.3348 -0.0414 0.0371 0.0198 14 MET D N 4521 C CA . MET D 44 ? 0.1099 0.0692 0.3337 -0.0410 0.0384 0.0246 14 MET D CA 4522 C C . MET D 44 ? 0.1557 0.1005 0.3868 -0.0496 0.0380 0.0290 14 MET D C 4523 O O . MET D 44 ? 0.1577 0.0949 0.3933 -0.0504 0.0357 0.0279 14 MET D O 4524 C CB . MET D 44 ? 0.1326 0.0885 0.3656 -0.0526 0.0430 0.0332 14 MET D CB 4525 C CG . MET D 44 ? 0.1765 0.1399 0.4081 -0.0512 0.0449 0.0299 14 MET D CG 4526 S SD . MET D 44 ? 0.2314 0.2096 0.4663 -0.0511 0.0492 0.0362 14 MET D SD 4527 C CE . MET D 44 ? 0.1899 0.1771 0.4159 -0.0472 0.0512 0.0394 14 MET D CE 4528 N N . CYS D 45 ? 0.1158 0.0690 0.3396 -0.0417 0.0372 0.0297 15 CYS D N 4529 C CA . CYS D 45 ? 0.1155 0.0651 0.3398 -0.0381 0.0348 0.0319 15 CYS D CA 4530 C C . CYS D 45 ? 0.1655 0.1115 0.3906 -0.0420 0.0364 0.0423 15 CYS D C 4531 O O . CYS D 45 ? 0.1724 0.1287 0.3923 -0.0419 0.0390 0.0440 15 CYS D O 4532 C CB . CYS D 45 ? 0.1031 0.0615 0.3227 -0.0328 0.0333 0.0265 15 CYS D CB 4533 S SG . CYS D 45 ? 0.1359 0.0902 0.3605 -0.0404 0.0333 0.0203 15 CYS D SG 4534 N N . TYR D 46 ? 0.1108 0.0624 0.3351 -0.0306 0.0313 0.0439 16 TYR D N 4535 C CA . TYR D 46 ? 0.1107 0.0653 0.3340 -0.0294 0.0304 0.0539 16 TYR D CA 4536 C C . TYR D 46 ? 0.1700 0.0988 0.3971 -0.0351 0.0286 0.0611 16 TYR D C 4537 O O . TYR D 46 ? 0.1821 0.0958 0.4137 -0.0326 0.0237 0.0585 16 TYR D O 4538 C CB . TYR D 46 ? 0.1171 0.0695 0.3462 -0.0330 0.0288 0.0607 16 TYR D CB 4539 C CG . TYR D 46 ? 0.1128 0.0739 0.3410 -0.0354 0.0326 0.0590 16 TYR D CG 4540 C CD1 . TYR D 46 ? 0.1201 0.0736 0.3536 -0.0404 0.0332 0.0527 16 TYR D CD1 4541 C CD2 . TYR D 46 ? 0.1190 0.0871 0.3462 -0.0426 0.0383 0.0681 16 TYR D CD2 4542 C CE1 . TYR D 46 ? 0.1215 0.0804 0.3570 -0.0455 0.0373 0.0527 16 TYR D CE1 4543 C CE2 . TYR D 46 ? 0.1201 0.0956 0.3498 -0.0478 0.0430 0.0676 16 TYR D CE2 4544 C CZ . TYR D 46 ? 0.2005 0.1637 0.4418 -0.0601 0.0453 0.0641 16 TYR D CZ 4545 O OH . TYR D 46 ? 0.2096 0.1853 0.4531 -0.0612 0.0488 0.0621 16 TYR D OH 4546 N N . PHE D 47 ? 0.1068 0.0624 0.3252 -0.0228 0.0274 0.0591 17 PHE D N 4547 C CA . PHE D 47 ? 0.1011 0.0578 0.3195 -0.0158 0.0232 0.0600 17 PHE D CA 4548 C C . PHE D 47 ? 0.1668 0.1026 0.3849 -0.0229 0.0232 0.0796 17 PHE D C 4549 O O . PHE D 47 ? 0.1506 0.1003 0.3637 -0.0262 0.0270 0.0862 17 PHE D O 4550 C CB . PHE D 47 ? 0.1050 0.0591 0.3194 -0.0190 0.0262 0.0579 17 PHE D CB 4551 C CG . PHE D 47 ? 0.0981 0.0582 0.3130 -0.0216 0.0283 0.0467 17 PHE D CG 4552 C CD1 . PHE D 47 ? 0.1246 0.0809 0.3436 -0.0186 0.0263 0.0392 17 PHE D CD1 4553 C CD2 . PHE D 47 ? 0.1079 0.0773 0.3189 -0.0269 0.0317 0.0440 17 PHE D CD2 4554 C CE1 . PHE D 47 ? 0.1278 0.0916 0.3470 -0.0221 0.0281 0.0314 17 PHE D CE1 4555 C CE2 . PHE D 47 ? 0.1316 0.1039 0.3434 -0.0301 0.0324 0.0357 17 PHE D CE2 4556 C CZ . PHE D 47 ? 0.1073 0.0778 0.3232 -0.0284 0.0308 0.0306 17 PHE D CZ 4557 N N . THR D 48 ? 0.1572 0.0762 0.3791 -0.0184 0.0167 0.0845 18 THR D N 4558 C CA . THR D 48 ? 0.1737 0.0874 0.3948 -0.0181 0.0131 0.1004 18 THR D CA 4559 C C . THR D 48 ? 0.2580 0.1646 0.4787 -0.0064 0.0064 0.0996 18 THR D C 4560 O O . THR D 48 ? 0.2494 0.1442 0.4741 0.0004 0.0022 0.0890 18 THR D O 4561 C CB . THR D 48 ? 0.2827 0.1778 0.5111 -0.0267 0.0099 0.1107 18 THR D CB 4562 O OG1 . THR D 48 ? 0.2749 0.1795 0.5051 -0.0361 0.0162 0.1088 18 THR D OG1 4563 C CG2 . THR D 48 ? 0.2920 0.1851 0.5198 -0.0299 0.0069 0.1310 18 THR D CG2 4564 N N . ASN D 49 ? 0.2483 0.1644 0.4639 -0.0031 0.0052 0.1109 19 ASN D N 4565 C CA . ASN D 49 ? 0.2705 0.1836 0.4851 0.0087 -0.0015 0.1137 19 ASN D CA 4566 C C . ASN D 49 ? 0.3172 0.2401 0.5323 0.0184 -0.0015 0.0969 19 ASN D C 4567 O O . ASN D 49 ? 0.3224 0.2314 0.5422 0.0276 -0.0073 0.0900 19 ASN D O 4568 C CB . ASN D 49 ? 0.3391 0.2217 0.5598 0.0112 -0.0110 0.1235 19 ASN D CB 4569 C CG . ASN D 49 ? 0.8235 0.6987 1.0440 0.0252 -0.0196 0.1269 19 ASN D CG 4570 O OD1 . ASN D 49 ? 0.7827 0.6787 0.9976 0.0315 -0.0184 0.1289 19 ASN D OD1 4571 N ND2 . ASN D 49 ? 0.8266 0.6710 1.0534 0.0308 -0.0293 0.1268 19 ASN D ND2 4572 N N . GLY D 50 ? 0.2599 0.2075 0.4701 0.0160 0.0045 0.0903 20 GLY D N 4573 C CA . GLY D 50 ? 0.2446 0.2069 0.4557 0.0218 0.0051 0.0766 20 GLY D CA 4574 C C . GLY D 50 ? 0.2979 0.2514 0.5142 0.0199 0.0065 0.0649 20 GLY D C 4575 O O . GLY D 50 ? 0.2690 0.2187 0.4853 0.0101 0.0109 0.0635 20 GLY D O 4576 N N . THR D 51 ? 0.2791 0.2297 0.4996 0.0307 0.0023 0.0567 21 THR D N 4577 C CA . THR D 51 ? 0.2736 0.2194 0.4981 0.0316 0.0028 0.0445 21 THR D CA 4578 C C . THR D 51 ? 0.3487 0.2644 0.5772 0.0346 -0.0031 0.0443 21 THR D C 4579 O O . THR D 51 ? 0.3564 0.2663 0.5873 0.0340 -0.0030 0.0344 21 THR D O 4580 C CB . THR D 51 ? 0.3712 0.3378 0.5974 0.0425 0.0020 0.0341 21 THR D CB 4581 O OG1 . THR D 51 ? 0.4279 0.3892 0.6558 0.0571 -0.0049 0.0357 21 THR D OG1 4582 C CG2 . THR D 51 ? 0.3148 0.3114 0.5388 0.0371 0.0067 0.0335 21 THR D CG2 4583 N N . GLU D 52 ? 0.3200 0.2168 0.5492 0.0373 -0.0091 0.0554 22 GLU D N 4584 C CA . GLU D 52 ? 0.3478 0.2120 0.5814 0.0399 -0.0176 0.0569 22 GLU D CA 4585 C C . GLU D 52 ? 0.3883 0.2385 0.6250 0.0273 -0.0160 0.0553 22 GLU D C 4586 O O . GLU D 52 ? 0.4004 0.2324 0.6407 0.0312 -0.0217 0.0458 22 GLU D O 4587 C CB . GLU D 52 ? 0.3911 0.2400 0.6247 0.0405 -0.0237 0.0743 22 GLU D CB 4588 C CG . GLU D 52 ? 0.5988 0.4103 0.8376 0.0436 -0.0353 0.0779 22 GLU D CG 4589 C CD . GLU D 52 ? 1.0052 0.7991 1.2471 0.0272 -0.0364 0.0932 22 GLU D CD 4590 O OE1 . GLU D 52 ? 0.9417 0.7406 1.1814 0.0210 -0.0353 0.1112 22 GLU D OE1 4591 O OE2 . GLU D 52 ? 1.0265 0.8037 1.2731 0.0205 -0.0387 0.0875 22 GLU D OE2 4592 N N . ARG D 53 ? 0.3208 0.1803 0.5560 0.0134 -0.0089 0.0634 23 ARG D N 4593 C CA . ARG D 53 ? 0.3105 0.1598 0.5494 0.0016 -0.0075 0.0633 23 ARG D CA 4594 C C . ARG D 53 ? 0.2981 0.1698 0.5344 -0.0054 0.0020 0.0567 23 ARG D C 4595 O O . ARG D 53 ? 0.2731 0.1636 0.5049 -0.0089 0.0081 0.0616 23 ARG D O 4596 C CB . ARG D 53 ? 0.3608 0.1983 0.6023 -0.0087 -0.0095 0.0816 23 ARG D CB 4597 C CG . ARG D 53 ? 0.5564 0.3913 0.8025 -0.0228 -0.0066 0.0847 23 ARG D CG 4598 C CD . ARG D 53 ? 0.7448 0.5513 0.9985 -0.0256 -0.0158 0.0820 23 ARG D CD 4599 N NE . ARG D 53 ? 0.8137 0.6246 1.0718 -0.0379 -0.0119 0.0810 23 ARG D NE 4600 C CZ . ARG D 53 ? 0.9195 0.7317 1.1785 -0.0372 -0.0110 0.0661 23 ARG D CZ 4601 N NH1 . ARG D 53 ? 0.7145 0.5248 0.9701 -0.0251 -0.0133 0.0507 23 ARG D NH1 4602 N NH2 . ARG D 53 ? 0.7203 0.5379 0.9835 -0.0482 -0.0079 0.0668 23 ARG D NH2 4603 N N . VAL D 54 ? 0.2334 0.1024 0.4720 -0.0065 0.0023 0.0449 24 VAL D N 4604 C CA . VAL D 54 ? 0.1974 0.0837 0.4342 -0.0129 0.0096 0.0390 24 VAL D CA 4605 C C . VAL D 54 ? 0.2327 0.1084 0.4741 -0.0210 0.0089 0.0367 24 VAL D C 4606 O O . VAL D 54 ? 0.2406 0.1024 0.4851 -0.0176 0.0032 0.0289 24 VAL D O 4607 C CB . VAL D 54 ? 0.2239 0.1277 0.4578 -0.0062 0.0119 0.0271 24 VAL D CB 4608 C CG1 . VAL D 54 ? 0.1958 0.1172 0.4268 -0.0141 0.0188 0.0264 24 VAL D CG1 4609 C CG2 . VAL D 54 ? 0.2287 0.1414 0.4603 0.0044 0.0099 0.0270 24 VAL D CG2 4610 N N . ARG D 55 ? 0.1724 0.0573 0.4141 -0.0306 0.0146 0.0417 25 ARG D N 4611 C CA . ARG D 55 ? 0.1650 0.0534 0.4108 -0.0362 0.0145 0.0393 25 ARG D CA 4612 C C . ARG D 55 ? 0.1791 0.0772 0.4227 -0.0420 0.0215 0.0358 25 ARG D C 4613 O O . ARG D 55 ? 0.1684 0.0797 0.4078 -0.0425 0.0263 0.0394 25 ARG D O 4614 C CB . ARG D 55 ? 0.1662 0.0589 0.4160 -0.0406 0.0129 0.0509 25 ARG D CB 4615 C CG . ARG D 55 ? 0.2705 0.1378 0.5296 -0.0566 0.0118 0.0540 25 ARG D CG 4616 C CD . ARG D 55 ? 0.3198 0.1877 0.5842 -0.0662 0.0121 0.0701 25 ARG D CD 4617 N NE . ARG D 55 ? 0.4050 0.2721 0.6781 -0.0765 0.0106 0.0722 25 ARG D NE 4618 C CZ . ARG D 55 ? 0.5729 0.4431 0.8531 -0.0870 0.0102 0.0867 25 ARG D CZ 4619 N NH1 . ARG D 55 ? 0.3716 0.2457 0.6503 -0.0885 0.0114 0.1010 25 ARG D NH1 4620 N NH2 . ARG D 55 ? 0.4549 0.3269 0.7440 -0.0966 0.0085 0.0881 25 ARG D NH2 4621 N N . LEU D 56 ? 0.1246 0.0520 0.3658 -0.0308 0.0195 0.0245 26 LEU D N 4622 C CA . LEU D 56 ? 0.0993 0.0510 0.3338 -0.0248 0.0234 0.0199 26 LEU D CA 4623 C C . LEU D 56 ? 0.1164 0.0574 0.3573 -0.0351 0.0238 0.0233 26 LEU D C 4624 O O . LEU D 56 ? 0.1060 0.0534 0.3491 -0.0292 0.0183 0.0215 26 LEU D O 4625 C CB . LEU D 56 ? 0.0937 0.0491 0.3253 -0.0228 0.0240 0.0118 26 LEU D CB 4626 C CG . LEU D 56 ? 0.1511 0.0660 0.3935 -0.0431 0.0222 0.0074 26 LEU D CG 4627 C CD1 . LEU D 56 ? 0.1471 0.0664 0.3918 -0.0498 0.0240 0.0080 26 LEU D CD1 4628 C CD2 . LEU D 56 ? 0.1698 0.0957 0.4078 -0.0373 0.0222 -0.0002 26 LEU D CD2 4629 N N . VAL D 57 ? 0.0733 0.0492 0.3010 -0.0159 0.0253 0.0201 27 VAL D N 4630 C CA . VAL D 57 ? 0.0669 0.0487 0.2941 -0.0135 0.0248 0.0204 27 VAL D CA 4631 C C . VAL D 57 ? 0.1000 0.0624 0.3352 -0.0345 0.0307 0.0212 27 VAL D C 4632 O O . VAL D 57 ? 0.0922 0.0608 0.3209 -0.0302 0.0332 0.0211 27 VAL D O 4633 C CB . VAL D 57 ? 0.1016 0.0655 0.3421 -0.0350 0.0281 0.0337 27 VAL D CB 4634 C CG1 . VAL D 57 ? 0.0995 0.0681 0.3439 -0.0364 0.0269 0.0342 27 VAL D CG1 4635 C CG2 . VAL D 57 ? 0.1081 0.0664 0.3526 -0.0367 0.0242 0.0404 27 VAL D CG2 4636 N N . THR D 58 ? 0.0735 0.0516 0.3006 -0.0191 0.0271 0.0138 28 THR D N 4637 C CA . THR D 58 ? 0.0668 0.0495 0.2885 -0.0156 0.0281 0.0108 28 THR D CA 4638 C C . THR D 58 ? 0.0974 0.0665 0.3369 -0.0376 0.0308 0.0170 28 THR D C 4639 O O . THR D 58 ? 0.0978 0.0674 0.3417 -0.0386 0.0281 0.0178 28 THR D O 4640 C CB . THR D 58 ? 0.1183 0.0709 0.3591 -0.0492 0.0296 0.0113 28 THR D CB 4641 O OG1 . THR D 58 ? 0.1881 0.1275 0.4415 -0.0640 0.0274 0.0104 28 THR D OG1 4642 C CG2 . THR D 58 ? 0.0742 0.0511 0.2945 -0.0203 0.0269 0.0053 28 THR D CG2 4643 N N . ARG D 59 ? 0.0653 0.0515 0.2889 -0.0157 0.0304 0.0139 29 ARG D N 4644 C CA . ARG D 59 ? 0.0599 0.0506 0.2843 -0.0126 0.0305 0.0155 29 ARG D CA 4645 C C . ARG D 59 ? 0.0832 0.0661 0.3238 -0.0316 0.0331 0.0163 29 ARG D C 4646 O O . ARG D 59 ? 0.0789 0.0606 0.3133 -0.0269 0.0328 0.0133 29 ARG D O 4647 C CB . ARG D 59 ? 0.0424 0.0392 0.2514 0.0023 0.0306 0.0158 29 ARG D CB 4648 C CG . ARG D 59 ? 0.0421 0.0397 0.2429 0.0026 0.0292 0.0186 29 ARG D CG 4649 C CD . ARG D 59 ? 0.0735 0.0676 0.2998 -0.0231 0.0390 0.0311 29 ARG D CD 4650 N NE . ARG D 59 ? 0.0423 0.0417 0.2363 0.0040 0.0292 0.0271 29 ARG D NE 4651 C CZ . ARG D 59 ? 0.1866 0.1701 0.4528 -0.0722 0.0477 0.0581 29 ARG D CZ 4652 N NH1 . ARG D 59 ? 0.0394 0.0413 0.1497 0.0022 0.0127 0.0192 29 ARG D NH1 4653 N NH2 . ARG D 59 ? 0.1184 0.1015 0.3692 -0.0558 0.0414 0.0589 29 ARG D NH2 4654 N N . TYR D 60 ? 0.0637 0.0550 0.2967 -0.0175 0.0289 0.0141 30 TYR D N 4655 C CA . TYR D 60 ? 0.0617 0.0543 0.2971 -0.0167 0.0274 0.0128 30 TYR D CA 4656 C C . TYR D 60 ? 0.0902 0.0871 0.3589 -0.0460 0.0341 0.0202 30 TYR D C 4657 O O . TYR D 60 ? 0.0929 0.0994 0.3717 -0.0527 0.0351 0.0243 30 TYR D O 4658 C CB . TYR D 60 ? 0.0723 0.0621 0.3150 -0.0264 0.0245 0.0128 30 TYR D CB 4659 C CG . TYR D 60 ? 0.0819 0.0648 0.3231 -0.0324 0.0236 0.0109 30 TYR D CG 4660 C CD1 . TYR D 60 ? 0.0941 0.0701 0.3393 -0.0405 0.0246 0.0110 30 TYR D CD1 4661 C CD2 . TYR D 60 ? 0.0873 0.0668 0.3274 -0.0360 0.0218 0.0105 30 TYR D CD2 4662 C CE1 . TYR D 60 ? 0.0936 0.0671 0.3325 -0.0388 0.0233 0.0077 30 TYR D CE1 4663 C CE2 . TYR D 60 ? 0.0950 0.0698 0.3322 -0.0411 0.0212 0.0092 30 TYR D CE2 4664 C CZ . TYR D 60 ? 0.1580 0.1161 0.4117 -0.0653 0.0241 0.0097 30 TYR D CZ 4665 O OH . TYR D 60 ? 0.1366 0.0946 0.3847 -0.0648 0.0232 0.0069 30 TYR D OH 4666 N N . ILE D 61 ? 0.0659 0.0640 0.3156 -0.0229 0.0325 0.0150 31 ILE D N 4667 C CA . ILE D 61 ? 0.0624 0.0710 0.3194 -0.0231 0.0358 0.0161 31 ILE D CA 4668 C C . ILE D 61 ? 0.0883 0.1078 0.3675 -0.0310 0.0361 0.0148 31 ILE D C 4669 O O . ILE D 61 ? 0.0953 0.0994 0.3675 -0.0266 0.0321 0.0108 31 ILE D O 4670 C CB . ILE D 61 ? 0.0811 0.0991 0.3518 -0.0352 0.0433 0.0175 31 ILE D CB 4671 C CG1 . ILE D 61 ? 0.0871 0.1012 0.3564 -0.0432 0.0457 0.0225 31 ILE D CG1 4672 C CG2 . ILE D 61 ? 0.0784 0.1200 0.3526 -0.0280 0.0476 0.0178 31 ILE D CG2 4673 C CD1 . ILE D 61 ? 0.1244 0.1316 0.3835 -0.0398 0.0470 0.0202 31 ILE D CD1 4674 N N . TYR D 62 ? 0.0526 0.0785 0.3226 -0.0185 0.0344 0.0150 32 TYR D N 4675 C CA . TYR D 62 ? 0.0465 0.0799 0.3239 -0.0130 0.0322 0.0120 32 TYR D CA 4676 C C . TYR D 62 ? 0.0845 0.1500 0.3765 -0.0072 0.0384 0.0098 32 TYR D C 4677 O O . TYR D 62 ? 0.0691 0.1581 0.3687 -0.0104 0.0435 0.0146 32 TYR D O 4678 C CB . TYR D 62 ? 0.0479 0.0961 0.3392 -0.0183 0.0301 0.0156 32 TYR D CB 4679 C CG . TYR D 62 ? 0.0606 0.1249 0.3652 -0.0100 0.0274 0.0128 32 TYR D CG 4680 C CD1 . TYR D 62 ? 0.0850 0.1283 0.3826 -0.0043 0.0208 0.0098 32 TYR D CD1 4681 C CD2 . TYR D 62 ? 0.0664 0.1598 0.3817 -0.0043 0.0298 0.0137 32 TYR D CD2 4682 C CE1 . TYR D 62 ? 0.0924 0.1399 0.3930 0.0078 0.0160 0.0072 32 TYR D CE1 4683 C CE2 . TYR D 62 ? 0.0806 0.1814 0.3991 0.0087 0.0259 0.0101 32 TYR D CE2 4684 C CZ . TYR D 62 ? 0.1586 0.2346 0.4695 0.0151 0.0185 0.0067 32 TYR D CZ 4685 O OH . TYR D 62 ? 0.1339 0.2167 0.4486 0.0288 0.0138 0.0037 32 TYR D OH 4686 N N . ASN D 63 ? 0.0461 0.1025 0.3302 0.0055 0.0358 0.0018 33 ASN D N 4687 C CA . ASN D 63 ? 0.0472 0.1195 0.3269 0.0173 0.0392 -0.0034 33 ASN D CA 4688 C C . ASN D 63 ? 0.1170 0.1988 0.3957 0.0099 0.0462 0.0009 33 ASN D C 4689 O O . ASN D 63 ? 0.1197 0.1807 0.3894 0.0060 0.0448 -0.0005 33 ASN D O 4690 C CB . ASN D 63 ? 0.0458 0.0955 0.2799 0.0134 0.0332 -0.0021 33 ASN D CB 4691 C CG . ASN D 63 ? 0.2099 0.3062 0.5050 0.0369 0.0337 -0.0085 33 ASN D CG 4692 O OD1 . ASN D 63 ? 0.0689 0.1387 0.3556 0.0440 0.0268 -0.0149 33 ASN D OD1 4693 N ND2 . ASN D 63 ? 0.0501 0.1512 0.3389 0.0310 0.0321 -0.0034 33 ASN D ND2 4694 N N . ARG D 64 ? 0.0861 0.1988 0.3723 0.0078 0.0530 0.0071 34 ARG D N 4695 C CA . ARG D 64 ? 0.0846 0.2043 0.3684 -0.0008 0.0585 0.0140 34 ARG D CA 4696 C C . ARG D 64 ? 0.1264 0.2499 0.4202 -0.0176 0.0601 0.0262 34 ARG D C 4697 O O . ARG D 64 ? 0.1173 0.2490 0.4115 -0.0249 0.0641 0.0340 34 ARG D O 4698 C CB . ARG D 64 ? 0.0871 0.2395 0.3699 0.0086 0.0649 0.0134 34 ARG D CB 4699 C CG . ARG D 64 ? 0.1642 0.3072 0.4325 0.0214 0.0637 0.0020 34 ARG D CG 4700 C CD . ARG D 64 ? 0.2045 0.3839 0.4715 0.0324 0.0699 0.0001 34 ARG D CD 4701 N NE . ARG D 64 ? 0.3178 0.5093 0.5801 0.0254 0.0756 0.0082 34 ARG D NE 4702 C CZ . ARG D 64 ? 0.5255 0.7560 0.7883 0.0302 0.0827 0.0122 34 ARG D CZ 4703 N NH1 . ARG D 64 ? 0.3879 0.6286 0.6454 0.0238 0.0872 0.0207 34 ARG D NH1 4704 N NH2 . ARG D 64 ? 0.3831 0.6454 0.6520 0.0417 0.0854 0.0086 34 ARG D NH2 4705 N N . GLU D 65 ? 0.0684 0.1854 0.3702 -0.0233 0.0559 0.0276 35 GLU D N 4706 C CA . GLU D 65 ? 0.0601 0.1696 0.3616 -0.0353 0.0532 0.0365 35 GLU D CA 4707 C C . GLU D 65 ? 0.0836 0.1718 0.3912 -0.0478 0.0505 0.0366 35 GLU D C 4708 O O . GLU D 65 ? 0.0960 0.1696 0.4019 -0.0466 0.0456 0.0316 35 GLU D O 4709 C CB . GLU D 65 ? 0.0630 0.2033 0.3882 -0.0394 0.0538 0.0392 35 GLU D CB 4710 C CG . GLU D 65 ? 0.1970 0.3372 0.5336 -0.0551 0.0504 0.0466 35 GLU D CG 4711 C CD . GLU D 65 ? 0.4309 0.5924 0.7800 -0.0542 0.0478 0.0469 35 GLU D CD 4712 O OE1 . GLU D 65 ? 0.3771 0.5593 0.7279 -0.0415 0.0501 0.0436 35 GLU D OE1 4713 O OE2 . GLU D 65 ? 0.2632 0.4216 0.6203 -0.0651 0.0429 0.0497 35 GLU D OE2 4714 N N . GLU D 66 ? 0.0610 0.1024 0.3145 -0.0269 0.0399 0.0360 36 GLU D N 4715 C CA . GLU D 66 ? 0.0602 0.0812 0.3038 -0.0222 0.0342 0.0326 36 GLU D CA 4716 C C . GLU D 66 ? 0.0719 0.1030 0.3386 -0.0388 0.0330 0.0369 36 GLU D C 4717 O O . GLU D 66 ? 0.0849 0.1359 0.3759 -0.0578 0.0360 0.0465 36 GLU D O 4718 C CB . GLU D 66 ? 0.0698 0.0928 0.3199 -0.0314 0.0374 0.0382 36 GLU D CB 4719 C CG . GLU D 66 ? 0.1105 0.1303 0.4018 -0.0711 0.0441 0.0438 36 GLU D CG 4720 C CD . GLU D 66 ? 0.3606 0.3731 0.6510 -0.0771 0.0459 0.0502 36 GLU D CD 4721 O OE1 . GLU D 66 ? 0.1767 0.2002 0.4636 -0.0742 0.0504 0.0545 36 GLU D OE1 4722 O OE2 . GLU D 66 ? 0.3587 0.3540 0.6493 -0.0820 0.0416 0.0501 36 GLU D OE2 4723 N N . TYR D 67 ? 0.0398 0.0405 0.2448 0.0021 0.0192 0.0228 37 TYR D N 4724 C CA . TYR D 67 ? 0.0390 0.0405 0.2354 0.0016 0.0141 0.0224 37 TYR D CA 4725 C C . TYR D 67 ? 0.0387 0.0401 0.2521 0.0012 0.0123 0.0212 37 TYR D C 4726 O O . TYR D 67 ? 0.0383 0.0402 0.2532 0.0008 0.0080 0.0218 37 TYR D O 4727 C CB . TYR D 67 ? 0.0390 0.0401 0.2408 0.0014 0.0140 0.0208 37 TYR D CB 4728 C CG . TYR D 67 ? 0.0390 0.0392 0.2421 0.0011 0.0144 0.0159 37 TYR D CG 4729 C CD1 . TYR D 67 ? 0.0390 0.0395 0.2628 0.0004 0.0125 0.0150 37 TYR D CD1 4730 C CD2 . TYR D 67 ? 0.0394 0.0390 0.2437 0.0012 0.0172 0.0143 37 TYR D CD2 4731 C CE1 . TYR D 67 ? 0.0386 0.0386 0.2437 0.0006 0.0113 0.0111 37 TYR D CE1 4732 C CE2 . TYR D 67 ? 0.0393 0.0387 0.2524 0.0009 0.0167 0.0121 37 TYR D CE2 4733 C CZ . TYR D 67 ? 0.0675 0.0708 0.3262 -0.0291 0.0183 0.0154 37 TYR D CZ 4734 O OH . TYR D 67 ? 0.0489 0.0481 0.2848 -0.0091 0.0139 0.0122 37 TYR D OH 4735 N N . ALA D 68 ? 0.0387 0.0390 0.1821 0.0008 0.0097 0.0121 38 ALA D N 4736 C CA . ALA D 68 ? 0.0384 0.0386 0.1691 0.0005 0.0074 0.0090 38 ALA D CA 4737 C C . ALA D 68 ? 0.0390 0.0388 0.2375 0.0009 0.0139 0.0130 38 ALA D C 4738 O O . ALA D 68 ? 0.0395 0.0388 0.2337 0.0011 0.0171 0.0129 38 ALA D O 4739 C CB . ALA D 68 ? 0.0383 0.0383 0.1639 0.0003 0.0065 0.0060 38 ALA D CB 4740 N N . ARG D 69 ? 0.0386 0.0386 0.2045 0.0006 0.0097 0.0101 39 ARG D N 4741 C CA . ARG D 69 ? 0.0387 0.0385 0.1963 0.0006 0.0106 0.0092 39 ARG D CA 4742 C C . ARG D 69 ? 0.0386 0.0384 0.2646 0.0005 0.0120 0.0094 39 ARG D C 4743 O O . ARG D 69 ? 0.0484 0.0428 0.2823 -0.0065 0.0076 0.0092 39 ARG D O 4744 C CB . ARG D 69 ? 0.0388 0.0392 0.2072 0.0010 0.0115 0.0145 39 ARG D CB 4745 C CG . ARG D 69 ? 0.0885 0.0680 0.3425 -0.0353 0.0143 0.0303 39 ARG D CG 4746 C CD . ARG D 69 ? 0.1383 0.0980 0.4169 -0.0708 0.0209 0.0464 39 ARG D CD 4747 N NE . ARG D 69 ? 0.1908 0.1581 0.4911 -0.0980 0.0316 0.0602 39 ARG D NE 4748 C CZ . ARG D 69 ? 0.3722 0.3521 0.6832 -0.1072 0.0315 0.0711 39 ARG D CZ 4749 N NH1 . ARG D 69 ? 0.2216 0.1891 0.5416 -0.1175 0.0242 0.0758 39 ARG D NH1 4750 N NH2 . ARG D 69 ? 0.2484 0.2544 0.5616 -0.1060 0.0383 0.0773 39 ARG D NH2 4751 N N . PHE D 70 ? 0.0387 0.0382 0.2066 0.0003 0.0108 0.0055 40 PHE D N 4752 C CA . PHE D 70 ? 0.0385 0.0380 0.2111 0.0002 0.0090 0.0031 40 PHE D CA 4753 C C . PHE D 70 ? 0.0529 0.0425 0.2869 -0.0073 0.0128 0.0086 40 PHE D C 4754 O O . PHE D 70 ? 0.0416 0.0391 0.2682 -0.0007 0.0167 0.0091 40 PHE D O 4755 C CB . PHE D 70 ? 0.0386 0.0380 0.2114 -0.0001 0.0103 -0.0015 40 PHE D CB 4756 C CG . PHE D 70 ? 0.0384 0.0381 0.2310 -0.0002 0.0088 -0.0053 40 PHE D CG 4757 C CD1 . PHE D 70 ? 0.0407 0.0386 0.2706 -0.0012 0.0116 -0.0056 40 PHE D CD1 4758 C CD2 . PHE D 70 ? 0.0382 0.0386 0.2578 -0.0003 0.0059 -0.0113 40 PHE D CD2 4759 C CE1 . PHE D 70 ? 0.0442 0.0393 0.2785 -0.0026 0.0081 -0.0104 40 PHE D CE1 4760 C CE2 . PHE D 70 ? 0.0599 0.0430 0.2973 -0.0091 0.0019 -0.0188 40 PHE D CE2 4761 C CZ . PHE D 70 ? 0.0380 0.0391 0.2701 -0.0002 0.0033 -0.0162 40 PHE D CZ 4762 N N . ASP D 71 ? 0.0520 0.0419 0.2913 -0.0067 0.0073 0.0102 41 ASP D N 4763 C CA . ASP D 71 ? 0.0572 0.0431 0.3003 -0.0087 0.0055 0.0149 41 ASP D CA 4764 C C . ASP D 71 ? 0.0816 0.0454 0.3320 -0.0175 0.0013 0.0102 41 ASP D C 4765 O O . ASP D 71 ? 0.0730 0.0432 0.3256 -0.0135 -0.0054 0.0059 41 ASP D O 4766 C CB . ASP D 71 ? 0.0896 0.0528 0.3443 -0.0253 0.0021 0.0257 41 ASP D CB 4767 C CG . ASP D 71 ? 0.2157 0.0825 0.4983 -0.0833 0.0059 0.0469 41 ASP D CG 4768 O OD1 . ASP D 71 ? 0.2152 0.0760 0.4910 -0.0746 0.0058 0.0440 41 ASP D OD1 4769 O OD2 . ASP D 71 ? 0.3194 0.1864 0.6100 -0.0931 0.0047 0.0595 41 ASP D OD2 4770 N N . SER D 72 ? 0.0483 0.0396 0.2919 -0.0036 0.0033 0.0078 42 SER D N 4771 C CA . SER D 72 ? 0.0543 0.0394 0.3013 -0.0048 -0.0011 0.0022 42 SER D CA 4772 C C . SER D 72 ? 0.1570 0.0459 0.4175 -0.0307 -0.0108 0.0048 42 SER D C 4773 O O . SER D 72 ? 0.1865 0.0444 0.4480 -0.0303 -0.0182 -0.0054 42 SER D O 4774 C CB . SER D 72 ? 0.0636 0.0397 0.3082 -0.0066 0.0032 0.0021 42 SER D CB 4775 O OG . SER D 72 ? 0.0973 0.0430 0.3439 -0.0162 0.0055 0.0120 42 SER D OG 4776 N N . ASP D 73 ? 0.1284 0.0463 0.3908 -0.0267 -0.0122 0.0159 43 ASP D N 4777 C CA . ASP D 73 ? 0.1579 0.0481 0.4284 -0.0338 -0.0226 0.0213 43 ASP D CA 4778 C C . ASP D 73 ? 0.1988 0.0524 0.4775 -0.0478 -0.0297 0.0179 43 ASP D C 4779 O O . ASP D 73 ? 0.2332 0.0528 0.5182 -0.0536 -0.0412 0.0172 43 ASP D O 4780 C CB . ASP D 73 ? 0.1938 0.0561 0.4701 -0.0493 -0.0206 0.0397 43 ASP D CB 4781 C CG . ASP D 73 ? 0.4198 0.2198 0.6964 -0.0631 -0.0162 0.0522 43 ASP D CG 4782 O OD1 . ASP D 73 ? 0.4206 0.2217 0.6902 -0.0500 -0.0159 0.0415 43 ASP D OD1 4783 O OD2 . ASP D 73 ? 0.5518 0.3543 0.8309 -0.0700 -0.0146 0.0688 43 ASP D OD2 4784 N N . VAL D 74 ? 0.1236 0.0480 0.3941 -0.0291 -0.0244 0.0139 44 VAL D N 4785 C CA . VAL D 74 ? 0.1244 0.0489 0.3980 -0.0307 -0.0303 0.0098 44 VAL D CA 4786 C C . VAL D 74 ? 0.1712 0.0513 0.4458 -0.0409 -0.0326 -0.0066 44 VAL D C 4787 O O . VAL D 74 ? 0.1986 0.0519 0.4771 -0.0441 -0.0434 -0.0156 44 VAL D O 4788 C CB . VAL D 74 ? 0.1431 0.0573 0.4205 -0.0450 -0.0243 0.0156 44 VAL D CB 4789 C CG1 . VAL D 74 ? 0.1454 0.0589 0.4256 -0.0473 -0.0304 0.0098 44 VAL D CG1 4790 C CG2 . VAL D 74 ? 0.1408 0.0618 0.4215 -0.0485 -0.0240 0.0303 44 VAL D CG2 4791 N N . GLY D 75 ? 0.1118 0.0453 0.3748 -0.0220 -0.0228 -0.0090 45 GLY D N 4792 C CA . GLY D 75 ? 0.1011 0.0440 0.3592 -0.0154 -0.0233 -0.0208 45 GLY D CA 4793 C C . GLY D 75 ? 0.1238 0.0486 0.3813 -0.0246 -0.0220 -0.0286 45 GLY D C 4794 O O . GLY D 75 ? 0.1298 0.0501 0.3828 -0.0234 -0.0221 -0.0401 45 GLY D O 4795 N N . VAL D 76 ? 0.0630 0.0423 0.3158 -0.0077 -0.0191 -0.0165 46 VAL D N 4796 C CA . VAL D 76 ? 0.0512 0.0415 0.2984 -0.0040 -0.0165 -0.0183 46 VAL D CA 4797 C C . VAL D 76 ? 0.0930 0.0516 0.3466 -0.0261 -0.0112 -0.0134 46 VAL D C 4798 O O . VAL D 76 ? 0.0878 0.0503 0.3426 -0.0244 -0.0095 -0.0048 46 VAL D O 4799 C CB . VAL D 76 ? 0.1037 0.0519 0.3628 -0.0247 -0.0281 -0.0275 46 VAL D CB 4800 C CG1 . VAL D 76 ? 0.1090 0.0520 0.3675 -0.0203 -0.0358 -0.0402 46 VAL D CG1 4801 C CG2 . VAL D 76 ? 0.1134 0.0533 0.3807 -0.0302 -0.0342 -0.0186 46 VAL D CG2 4802 N N . TYR D 77 ? 0.0589 0.0446 0.2998 -0.0108 -0.0066 -0.0132 47 TYR D N 4803 C CA . TYR D 77 ? 0.0476 0.0416 0.2824 -0.0057 -0.0019 -0.0064 47 TYR D CA 4804 C C . TYR D 77 ? 0.1037 0.0640 0.3642 -0.0412 -0.0073 -0.0026 47 TYR D C 4805 O O . TYR D 77 ? 0.1063 0.0640 0.3693 -0.0416 -0.0146 -0.0064 47 TYR D O 4806 C CB . TYR D 77 ? 0.0485 0.0427 0.2774 -0.0068 0.0012 -0.0091 47 TYR D CB 4807 C CG . TYR D 77 ? 0.0550 0.0455 0.2816 -0.0112 0.0061 -0.0107 47 TYR D CG 4808 C CD1 . TYR D 77 ? 0.0708 0.0519 0.3004 -0.0207 0.0052 -0.0179 47 TYR D CD1 4809 C CD2 . TYR D 77 ? 0.0548 0.0456 0.2791 -0.0113 0.0106 -0.0058 47 TYR D CD2 4810 C CE1 . TYR D 77 ? 0.0673 0.0511 0.2905 -0.0192 0.0095 -0.0175 47 TYR D CE1 4811 C CE2 . TYR D 77 ? 0.0603 0.0481 0.2820 -0.0150 0.0141 -0.0061 47 TYR D CE2 4812 C CZ . TYR D 77 ? 0.1196 0.0750 0.3646 -0.0549 0.0133 -0.0115 47 TYR D CZ 4813 O OH . TYR D 77 ? 0.1186 0.0774 0.3598 -0.0564 0.0167 -0.0097 47 TYR D OH 4814 N N . ARG D 78 ? 0.0786 0.0563 0.3306 -0.0273 -0.0035 0.0060 48 ARG D N 4815 C CA . ARG D 78 ? 0.0832 0.0614 0.3412 -0.0324 -0.0071 0.0127 48 ARG D CA 4816 C C . ARG D 78 ? 0.0982 0.0764 0.3659 -0.0475 -0.0011 0.0180 48 ARG D C 4817 O O . ARG D 78 ? 0.0792 0.0656 0.3336 -0.0327 0.0046 0.0180 48 ARG D O 4818 C CB . ARG D 78 ? 0.0808 0.0594 0.3403 -0.0299 -0.0105 0.0200 48 ARG D CB 4819 C CG . ARG D 78 ? 0.1685 0.0890 0.4644 -0.0815 -0.0178 0.0180 48 ARG D CG 4820 C CD . ARG D 78 ? 0.2358 0.1174 0.5630 -0.1253 -0.0280 0.0180 48 ARG D CD 4821 N NE . ARG D 78 ? 0.4016 0.2516 0.7286 -0.1269 -0.0398 0.0077 48 ARG D NE 4822 C CZ . ARG D 78 ? 0.6007 0.4273 0.9313 -0.1306 -0.0463 0.0132 48 ARG D CZ 4823 N NH1 . ARG D 78 ? 0.4387 0.2692 0.7743 -0.1368 -0.0412 0.0304 48 ARG D NH1 4824 N NH2 . ARG D 78 ? 0.3879 0.1870 0.7160 -0.1271 -0.0583 0.0014 48 ARG D NH2 4825 N N . ALA D 79 ? 0.0742 0.0649 0.3290 -0.0308 -0.0053 0.0190 49 ALA D N 4826 C CA . ALA D 79 ? 0.0667 0.0650 0.3168 -0.0270 -0.0021 0.0232 49 ALA D CA 4827 C C . ALA D 79 ? 0.0998 0.0991 0.3806 -0.0593 0.0023 0.0361 49 ALA D C 4828 O O . ALA D 79 ? 0.1045 0.0987 0.3870 -0.0613 -0.0026 0.0404 49 ALA D O 4829 C CB . ALA D 79 ? 0.0767 0.0774 0.3371 -0.0386 -0.0062 0.0236 49 ALA D CB 4830 N N . VAL D 80 ? 0.0713 0.0788 0.3271 -0.0339 0.0055 0.0367 50 VAL D N 4831 C CA . VAL D 80 ? 0.0733 0.0874 0.3308 -0.0373 0.0076 0.0463 50 VAL D CA 4832 C C . VAL D 80 ? 0.0965 0.1346 0.3897 -0.0689 0.0134 0.0574 50 VAL D C 4833 O O . VAL D 80 ? 0.1002 0.1495 0.3989 -0.0756 0.0126 0.0683 50 VAL D O 4834 C CB . VAL D 80 ? 0.0925 0.1109 0.3695 -0.0562 0.0195 0.0496 50 VAL D CB 4835 C CG1 . VAL D 80 ? 0.0940 0.1259 0.3738 -0.0605 0.0235 0.0607 50 VAL D CG1 4836 C CG2 . VAL D 80 ? 0.0906 0.0939 0.3581 -0.0485 0.0176 0.0433 50 VAL D CG2 4837 N N . THR D 81 ? 0.0762 0.1104 0.3469 -0.0478 0.0107 0.0488 51 THR D N 4838 C CA . THR D 81 ? 0.0752 0.1272 0.3523 -0.0523 0.0112 0.0542 51 THR D CA 4839 C C . THR D 81 ? 0.0934 0.1644 0.4105 -0.0794 0.0107 0.0525 51 THR D C 4840 O O . THR D 81 ? 0.0949 0.1479 0.4055 -0.0762 0.0074 0.0441 51 THR D O 4841 C CB . THR D 81 ? 0.0794 0.1598 0.3810 -0.0633 0.0230 0.0558 51 THR D CB 4842 O OG1 . THR D 81 ? 0.0715 0.1362 0.3606 -0.0512 0.0217 0.0453 51 THR D OG1 4843 C CG2 . THR D 81 ? 0.0545 0.0939 0.2884 -0.0228 0.0166 0.0524 51 THR D CG2 4844 N N . PRO D 82 ? 0.0772 0.1484 0.3698 -0.0622 0.0053 0.0541 52 PRO D N 4845 C CA . PRO D 82 ? 0.0790 0.1529 0.3787 -0.0664 0.0005 0.0493 52 PRO D CA 4846 C C . PRO D 82 ? 0.0939 0.1999 0.4466 -0.0929 0.0072 0.0433 52 PRO D C 4847 O O . PRO D 82 ? 0.0996 0.2166 0.4703 -0.1036 0.0024 0.0390 52 PRO D O 4848 C CB . PRO D 82 ? 0.0840 0.1961 0.4113 -0.0825 0.0016 0.0580 52 PRO D CB 4849 C CG . PRO D 82 ? 0.0982 0.2469 0.4643 -0.1073 0.0091 0.0712 52 PRO D CG 4850 C CD . PRO D 82 ? 0.0795 0.1819 0.3879 -0.0720 0.0096 0.0649 52 PRO D CD 4851 N N . LEU D 83 ? 0.0774 0.1578 0.3921 -0.0659 0.0107 0.0398 53 LEU D N 4852 C CA . LEU D 83 ? 0.0725 0.1466 0.3836 -0.0588 0.0116 0.0333 53 LEU D CA 4853 C C . LEU D 83 ? 0.1117 0.1872 0.4557 -0.0871 0.0127 0.0298 53 LEU D C 4854 O O . LEU D 83 ? 0.1278 0.1944 0.4632 -0.0810 0.0100 0.0248 53 LEU D O 4855 C CB . LEU D 83 ? 0.0660 0.1459 0.3762 -0.0513 0.0184 0.0338 53 LEU D CB 4856 C CG . LEU D 83 ? 0.0927 0.1953 0.4346 -0.0586 0.0218 0.0304 53 LEU D CG 4857 C CD1 . LEU D 83 ? 0.0963 0.2185 0.4465 -0.0525 0.0180 0.0301 53 LEU D CD1 4858 C CD2 . LEU D 83 ? 0.1305 0.2320 0.4657 -0.0480 0.0275 0.0291 53 LEU D CD2 4859 N N . GLY D 84 ? 0.0915 0.1389 0.4029 -0.0716 0.0098 0.0292 54 GLY D N 4860 C CA . GLY D 84 ? 0.0869 0.1099 0.3740 -0.0582 0.0067 0.0226 54 GLY D CA 4861 C C . GLY D 84 ? 0.1022 0.1218 0.4011 -0.0729 0.0005 0.0174 54 GLY D C 4862 O O . GLY D 84 ? 0.1005 0.1091 0.3875 -0.0665 -0.0001 0.0115 54 GLY D O 4863 N N . PRO D 85 ? 0.0839 0.1010 0.3598 -0.0536 -0.0064 0.0175 55 PRO D N 4864 C CA . PRO D 85 ? 0.0874 0.0978 0.3600 -0.0543 -0.0129 0.0106 55 PRO D CA 4865 C C . PRO D 85 ? 0.1071 0.1232 0.4013 -0.0765 -0.0147 0.0029 55 PRO D C 4866 O O . PRO D 85 ? 0.1026 0.1076 0.3807 -0.0664 -0.0173 -0.0039 55 PRO D O 4867 C CB . PRO D 85 ? 0.1034 0.1243 0.3992 -0.0750 -0.0192 0.0137 55 PRO D CB 4868 C CG . PRO D 85 ? 0.1246 0.1629 0.4581 -0.1040 -0.0151 0.0241 55 PRO D CG 4869 C CD . PRO D 85 ? 0.0916 0.1237 0.3859 -0.0674 -0.0072 0.0253 55 PRO D CD 4870 N N . PRO D 86 ? 0.0928 0.1177 0.3778 -0.0660 -0.0128 0.0049 56 PRO D N 4871 C CA . PRO D 86 ? 0.0947 0.1218 0.3781 -0.0685 -0.0153 -0.0005 56 PRO D CA 4872 C C . PRO D 86 ? 0.1459 0.1695 0.4474 -0.0883 -0.0121 -0.0032 56 PRO D C 4873 O O . PRO D 86 ? 0.1732 0.1951 0.4646 -0.0857 -0.0149 -0.0088 56 PRO D O 4874 C CB . PRO D 86 ? 0.0959 0.1447 0.3996 -0.0783 -0.0157 0.0040 56 PRO D CB 4875 C CG . PRO D 86 ? 0.1288 0.1989 0.4635 -0.0937 -0.0147 0.0095 56 PRO D CG 4876 C CD . PRO D 86 ? 0.0952 0.1402 0.4027 -0.0764 -0.0098 0.0117 56 PRO D CD 4877 N N . ALA D 87 ? 0.1052 0.1190 0.3926 -0.0738 -0.0051 0.0019 57 ALA D N 4878 C CA . ALA D 87 ? 0.1032 0.1065 0.3778 -0.0669 -0.0012 0.0008 57 ALA D CA 4879 C C . ALA D 87 ? 0.1217 0.1129 0.4034 -0.0791 -0.0029 -0.0053 57 ALA D C 4880 O O . ALA D 87 ? 0.1221 0.1102 0.3960 -0.0776 -0.0043 -0.0111 57 ALA D O 4881 C CB . ALA D 87 ? 0.1030 0.1045 0.3804 -0.0655 0.0050 0.0066 57 ALA D CB 4882 N N . ALA D 88 ? 0.0931 0.0840 0.3518 -0.0503 -0.0028 -0.0030 58 ALA D N 4883 C CA . ALA D 88 ? 0.0971 0.0795 0.3551 -0.0493 -0.0051 -0.0068 58 ALA D CA 4884 C C . ALA D 88 ? 0.1387 0.1060 0.4199 -0.0813 -0.0139 -0.0190 58 ALA D C 4885 O O . ALA D 88 ? 0.1487 0.1041 0.4272 -0.0831 -0.0154 -0.0265 58 ALA D O 4886 C CB . ALA D 88 ? 0.1077 0.0860 0.3778 -0.0578 -0.0067 -0.0011 58 ALA D CB 4887 N N . GLU D 89 ? 0.1150 0.0963 0.3835 -0.0650 -0.0178 -0.0190 59 GLU D N 4888 C CA . GLU D 89 ? 0.1198 0.0996 0.3865 -0.0665 -0.0256 -0.0297 59 GLU D CA 4889 C C . GLU D 89 ? 0.1318 0.1137 0.4014 -0.0781 -0.0269 -0.0391 59 GLU D C 4890 O O . GLU D 89 ? 0.1440 0.1189 0.4132 -0.0824 -0.0332 -0.0525 59 GLU D O 4891 C CB . GLU D 89 ? 0.1345 0.1205 0.4181 -0.0837 -0.0333 -0.0312 59 GLU D CB 4892 C CG . GLU D 89 ? 0.3161 0.2898 0.6322 -0.1153 -0.0420 -0.0315 59 GLU D CG 4893 C CD . GLU D 89 ? 0.6457 0.6316 0.9731 -0.1245 -0.0504 -0.0324 59 GLU D CD 4894 O OE1 . GLU D 89 ? 0.5322 0.5133 0.8733 -0.1360 -0.0548 -0.0272 59 GLU D OE1 4895 O OE2 . GLU D 89 ? 0.6119 0.6132 0.9349 -0.1209 -0.0530 -0.0374 59 GLU D OE2 4896 N N . TYR D 90 ? 0.0844 0.0818 0.3193 -0.0418 -0.0161 -0.0262 60 TYR D N 4897 C CA . TYR D 90 ? 0.0780 0.0814 0.3012 -0.0384 -0.0140 -0.0276 60 TYR D CA 4898 C C . TYR D 90 ? 0.0930 0.0921 0.3266 -0.0510 -0.0124 -0.0323 60 TYR D C 4899 O O . TYR D 90 ? 0.0932 0.0981 0.3227 -0.0525 -0.0144 -0.0402 60 TYR D O 4900 C CB . TYR D 90 ? 0.0799 0.0894 0.3081 -0.0447 -0.0122 -0.0187 60 TYR D CB 4901 C CG . TYR D 90 ? 0.0865 0.1065 0.3192 -0.0561 -0.0120 -0.0172 60 TYR D CG 4902 C CD1 . TYR D 90 ? 0.1042 0.1446 0.3479 -0.0702 -0.0183 -0.0232 60 TYR D CD1 4903 C CD2 . TYR D 90 ? 0.0866 0.1037 0.3189 -0.0561 -0.0070 -0.0094 60 TYR D CD2 4904 C CE1 . TYR D 90 ? 0.1326 0.1849 0.3661 -0.0674 -0.0164 -0.0174 60 TYR D CE1 4905 C CE2 . TYR D 90 ? 0.0880 0.1157 0.3199 -0.0621 -0.0066 -0.0045 60 TYR D CE2 4906 C CZ . TYR D 90 ? 0.2026 0.2494 0.4350 -0.0673 -0.0109 -0.0073 60 TYR D CZ 4907 O OH . TYR D 90 ? 0.2364 0.2946 0.4603 -0.0668 -0.0100 0.0007 60 TYR D OH 4908 N N . TRP D 91 ? 0.0563 0.0549 0.2633 -0.0160 -0.0037 -0.0223 61 TRP D N 4909 C CA . TRP D 91 ? 0.0565 0.0540 0.2627 -0.0157 -0.0005 -0.0243 61 TRP D CA 4910 C C . TRP D 91 ? 0.0946 0.0765 0.3262 -0.0423 -0.0079 -0.0384 61 TRP D C 4911 O O . TRP D 91 ? 0.0928 0.0766 0.3200 -0.0403 -0.0074 -0.0448 61 TRP D O 4912 C CB . TRP D 91 ? 0.0438 0.0431 0.2456 -0.0050 0.0043 -0.0167 61 TRP D CB 4913 C CG . TRP D 91 ? 0.0470 0.0452 0.2471 -0.0080 0.0056 -0.0104 61 TRP D CG 4914 C CD1 . TRP D 91 ? 0.0662 0.0635 0.2747 -0.0268 0.0044 -0.0088 61 TRP D CD1 4915 C CD2 . TRP D 91 ? 0.0422 0.0410 0.2441 -0.0036 0.0074 -0.0051 61 TRP D CD2 4916 N NE1 . TRP D 91 ? 0.0627 0.0602 0.2699 -0.0234 0.0051 -0.0018 61 TRP D NE1 4917 C CE2 . TRP D 91 ? 0.0680 0.0618 0.2867 -0.0266 0.0075 -0.0004 61 TRP D CE2 4918 C CE3 . TRP D 91 ? 0.0514 0.0467 0.2667 -0.0107 0.0091 -0.0031 61 TRP D CE3 4919 C CZ2 . TRP D 91 ? 0.0576 0.0531 0.2731 -0.0169 0.0088 0.0039 61 TRP D CZ2 4920 C CZ3 . TRP D 91 ? 0.0584 0.0517 0.2815 -0.0164 0.0115 0.0017 61 TRP D CZ3 4921 C CH2 . TRP D 91 ? 0.0600 0.0538 0.2830 -0.0182 0.0115 0.0043 61 TRP D CH2 4922 N N . ASN D 92 ? 0.0688 0.0588 0.2918 -0.0207 -0.0096 -0.0354 62 ASN D N 4923 C CA . ASN D 92 ? 0.0758 0.0603 0.3051 -0.0210 -0.0159 -0.0439 62 ASN D CA 4924 C C . ASN D 92 ? 0.1246 0.0871 0.3650 -0.0483 -0.0286 -0.0679 62 ASN D C 4925 O O . ASN D 92 ? 0.1373 0.0883 0.3766 -0.0458 -0.0351 -0.0813 62 ASN D O 4926 C CB . ASN D 92 ? 0.0832 0.0602 0.3221 -0.0239 -0.0212 -0.0399 62 ASN D CB 4927 C CG . ASN D 92 ? 0.2179 0.1312 0.4919 -0.0791 -0.0259 -0.0444 62 ASN D CG 4928 O OD1 . ASN D 92 ? 0.1976 0.1090 0.4657 -0.0727 -0.0203 -0.0426 62 ASN D OD1 4929 N ND2 . ASN D 92 ? 0.0458 0.0419 0.2808 -0.0027 -0.0174 -0.0189 62 ASN D ND2 4930 N N . SER D 93 ? 0.0939 0.0812 0.3208 -0.0349 -0.0240 -0.0613 63 SER D N 4931 C CA . SER D 93 ? 0.1010 0.0951 0.3245 -0.0386 -0.0310 -0.0762 63 SER D CA 4932 C C . SER D 93 ? 0.1483 0.1523 0.3700 -0.0468 -0.0315 -0.0861 63 SER D C 4933 O O . SER D 93 ? 0.1546 0.1737 0.3665 -0.0399 -0.0354 -0.0974 63 SER D O 4934 C CB . SER D 93 ? 0.1267 0.1281 0.3639 -0.0624 -0.0395 -0.0798 63 SER D CB 4935 O OG . SER D 93 ? 0.2181 0.2360 0.4520 -0.0622 -0.0315 -0.0668 63 SER D OG 4936 N N . GLN D 94 ? 0.0937 0.1001 0.3121 -0.0424 -0.0212 -0.0730 64 GLN D N 4937 C CA . GLN D 94 ? 0.0806 0.1055 0.2916 -0.0392 -0.0166 -0.0729 64 GLN D CA 4938 C C . GLN D 94 ? 0.1469 0.1622 0.3572 -0.0326 -0.0151 -0.0788 64 GLN D C 4939 O O . GLN D 94 ? 0.1288 0.1309 0.3449 -0.0357 -0.0108 -0.0702 64 GLN D O 4940 C CB . GLN D 94 ? 0.0742 0.1076 0.2838 -0.0433 -0.0088 -0.0552 64 GLN D CB 4941 C CG . GLN D 94 ? 0.1366 0.1814 0.3502 -0.0513 -0.0116 -0.0491 64 GLN D CG 4942 C CD . GLN D 94 ? 0.3012 0.3433 0.5193 -0.0569 -0.0064 -0.0330 64 GLN D CD 4943 O OE1 . GLN D 94 ? 0.2569 0.2844 0.4841 -0.0612 -0.0061 -0.0284 64 GLN D OE1 4944 N NE2 . GLN D 94 ? 0.1620 0.2184 0.3738 -0.0570 -0.0028 -0.0242 64 GLN D NE2 4945 N N . LYS D 95 ? 0.1236 0.1472 0.3259 -0.0217 -0.0189 -0.0940 65 LYS D N 4946 C CA . LYS D 95 ? 0.1255 0.1416 0.3263 -0.0119 -0.0186 -0.1015 65 LYS D CA 4947 C C . LYS D 95 ? 0.1781 0.2088 0.3775 -0.0114 -0.0091 -0.0897 65 LYS D C 4948 O O . LYS D 95 ? 0.1718 0.1890 0.3750 -0.0087 -0.0076 -0.0885 65 LYS D O 4949 C CB . LYS D 95 ? 0.1631 0.1885 0.3546 0.0022 -0.0251 -0.1219 65 LYS D CB 4950 C CG . LYS D 95 ? 0.3217 0.3853 0.5015 0.0075 -0.0228 -0.1255 65 LYS D CG 4951 C CD . LYS D 95 ? 0.4946 0.5726 0.6645 0.0253 -0.0267 -0.1458 65 LYS D CD 4952 C CE . LYS D 95 ? 0.6986 0.7601 0.8656 0.0323 -0.0393 -0.1672 65 LYS D CE 4953 N NZ . LYS D 95 ? 0.8122 0.8962 0.9715 0.0303 -0.0424 -0.1715 65 LYS D NZ 4954 N N . GLU D 96 ? 0.1338 0.1908 0.3288 -0.0155 -0.0035 -0.0796 66 GLU D N 4955 C CA . GLU D 96 ? 0.1199 0.1915 0.3145 -0.0176 0.0042 -0.0672 66 GLU D CA 4956 C C . GLU D 96 ? 0.1437 0.1926 0.3472 -0.0268 0.0072 -0.0545 66 GLU D C 4957 O O . GLU D 96 ? 0.1430 0.1916 0.3482 -0.0258 0.0111 -0.0499 66 GLU D O 4958 C CB . GLU D 96 ? 0.1372 0.2398 0.3255 -0.0217 0.0074 -0.0580 66 GLU D CB 4959 C CG . GLU D 96 ? 0.3225 0.4427 0.5107 -0.0258 0.0139 -0.0446 66 GLU D CG 4960 C CD . GLU D 96 ? 0.6529 0.7736 0.8433 -0.0384 0.0156 -0.0269 66 GLU D CD 4961 O OE1 . GLU D 96 ? 0.5714 0.7153 0.7563 -0.0414 0.0154 -0.0206 66 GLU D OE1 4962 O OE2 . GLU D 96 ? 0.5905 0.6887 0.7878 -0.0447 0.0166 -0.0193 66 GLU D OE2 4963 N N . VAL D 97 ? 0.0773 0.1101 0.2864 -0.0348 0.0052 -0.0496 67 VAL D N 4964 C CA . VAL D 97 ? 0.0680 0.0810 0.2765 -0.0345 0.0089 -0.0379 67 VAL D CA 4965 C C . VAL D 97 ? 0.1157 0.1094 0.3373 -0.0390 0.0068 -0.0434 67 VAL D C 4966 O O . VAL D 97 ? 0.1072 0.0951 0.3312 -0.0401 0.0107 -0.0367 67 VAL D O 4967 C CB . VAL D 97 ? 0.0963 0.1044 0.3183 -0.0498 0.0062 -0.0330 67 VAL D CB 4968 C CG1 . VAL D 97 ? 0.0876 0.0805 0.3091 -0.0454 0.0092 -0.0243 67 VAL D CG1 4969 C CG2 . VAL D 97 ? 0.0836 0.1101 0.3011 -0.0529 0.0071 -0.0254 67 VAL D CG2 4970 N N . LEU D 98 ? 0.0879 0.0714 0.3098 -0.0336 0.0007 -0.0544 68 LEU D N 4971 C CA . LEU D 98 ? 0.0944 0.0626 0.3196 -0.0269 -0.0019 -0.0566 68 LEU D CA 4972 C C . LEU D 98 ? 0.1459 0.1103 0.3691 -0.0224 -0.0009 -0.0622 68 LEU D C 4973 O O . LEU D 98 ? 0.1540 0.1052 0.3810 -0.0226 0.0005 -0.0569 68 LEU D O 4974 C CB . LEU D 98 ? 0.1124 0.0654 0.3404 -0.0268 -0.0117 -0.0690 68 LEU D CB 4975 C CG . LEU D 98 ? 0.1670 0.1010 0.4044 -0.0411 -0.0160 -0.0665 68 LEU D CG 4976 C CD1 . LEU D 98 ? 0.1920 0.1145 0.4301 -0.0396 -0.0270 -0.0803 68 LEU D CD1 4977 C CD2 . LEU D 98 ? 0.1801 0.0971 0.4265 -0.0482 -0.0138 -0.0547 68 LEU D CD2 4978 N N . GLU D 99 ? 0.0952 0.0814 0.3107 -0.0139 -0.0005 -0.0702 69 GLU D N 4979 C CA . GLU D 99 ? 0.0902 0.0873 0.3021 -0.0035 0.0017 -0.0739 69 GLU D CA 4980 C C . GLU D 99 ? 0.1340 0.1403 0.3478 -0.0090 0.0092 -0.0600 69 GLU D C 4981 O O . GLU D 99 ? 0.1379 0.1387 0.3536 -0.0042 0.0100 -0.0591 69 GLU D O 4982 C CB . GLU D 99 ? 0.1093 0.1352 0.3127 0.0064 0.0014 -0.0847 69 GLU D CB 4983 C CG . GLU D 99 ? 0.2607 0.2755 0.4609 0.0175 -0.0076 -0.1034 69 GLU D CG 4984 C CD . GLU D 99 ? 0.5558 0.5991 0.7464 0.0261 -0.0091 -0.1155 69 GLU D CD 4985 O OE1 . GLU D 99 ? 0.4006 0.4771 0.5867 0.0239 -0.0022 -0.1080 69 GLU D OE1 4986 O OE2 . GLU D 99 ? 0.5750 0.6077 0.7625 0.0347 -0.0177 -0.1324 69 GLU D OE2 4987 N N . ARG D 100 ? 0.0728 0.0914 0.2862 -0.0188 0.0136 -0.0493 70 ARG D N 4988 C CA . ARG D 100 ? 0.0519 0.0736 0.2619 -0.0222 0.0191 -0.0365 70 ARG D CA 4989 C C . ARG D 100 ? 0.0901 0.0898 0.3112 -0.0298 0.0192 -0.0308 70 ARG D C 4990 O O . ARG D 100 ? 0.0846 0.0845 0.3067 -0.0295 0.0218 -0.0260 70 ARG D O 4991 C CB . ARG D 100 ? 0.0480 0.0652 0.2302 -0.0164 0.0203 -0.0278 70 ARG D CB 4992 C CG . ARG D 100 ? 0.0685 0.1125 0.2830 -0.0424 0.0246 -0.0148 70 ARG D CG 4993 C CD . ARG D 100 ? 0.1802 0.2025 0.3993 -0.0496 0.0247 -0.0078 70 ARG D CD 4994 N NE . ARG D 100 ? 0.2358 0.2518 0.4558 -0.0538 0.0226 -0.0061 70 ARG D NE 4995 C CZ . ARG D 100 ? 0.3137 0.3117 0.5384 -0.0563 0.0219 -0.0048 70 ARG D CZ 4996 N NH1 . ARG D 100 ? 0.0687 0.0663 0.2652 -0.0291 0.0181 -0.0049 70 ARG D NH1 4997 N NH2 . ARG D 100 ? 0.1151 0.0996 0.3432 -0.0554 0.0232 -0.0046 70 ARG D NH2 4998 N N . THR D 101 ? 0.0498 0.0471 0.2574 -0.0098 0.0182 -0.0285 71 THR D N 4999 C CA . THR D 101 ? 0.0465 0.0427 0.2574 -0.0060 0.0189 -0.0217 71 THR D CA 5000 C C . THR D 101 ? 0.1053 0.0556 0.3374 -0.0321 0.0151 -0.0275 71 THR D C 5001 O O . THR D 101 ? 0.0979 0.0519 0.3292 -0.0283 0.0178 -0.0203 71 THR D O 5002 C CB . THR D 101 ? 0.0666 0.0491 0.2862 -0.0175 0.0165 -0.0201 71 THR D CB 5003 O OG1 . THR D 101 ? 0.0391 0.0393 0.1944 -0.0012 0.0134 -0.0141 71 THR D OG1 5004 C CG2 . THR D 101 ? 0.0394 0.0386 0.2271 -0.0009 0.0163 -0.0109 71 THR D CG2 5005 N N . ARG D 102 ? 0.0755 0.0468 0.3035 -0.0141 0.0107 -0.0346 72 ARG D N 5006 C CA . ARG D 102 ? 0.0814 0.0448 0.3130 -0.0097 0.0065 -0.0371 72 ARG D CA 5007 C C . ARG D 102 ? 0.1408 0.0858 0.3701 -0.0102 0.0097 -0.0398 72 ARG D C 5008 O O . ARG D 102 ? 0.1484 0.0845 0.3798 -0.0092 0.0100 -0.0340 72 ARG D O 5009 C CB . ARG D 102 ? 0.0769 0.0466 0.3090 -0.0034 -0.0016 -0.0473 72 ARG D CB 5010 C CG . ARG D 102 ? 0.0622 0.0455 0.2993 -0.0023 -0.0072 -0.0428 72 ARG D CG 5011 C CD . ARG D 102 ? 0.0725 0.0499 0.3086 0.0002 -0.0156 -0.0562 72 ARG D CD 5012 N NE . ARG D 102 ? 0.1336 0.0531 0.3733 -0.0097 -0.0229 -0.0658 72 ARG D NE 5013 C CZ . ARG D 102 ? 0.2841 0.1610 0.5207 -0.0143 -0.0312 -0.0874 72 ARG D CZ 5014 N NH1 . ARG D 102 ? 0.0887 0.0601 0.3219 0.0039 -0.0294 -0.0786 72 ARG D NH1 5015 N NH2 . ARG D 102 ? 0.1505 0.0583 0.3946 -0.0143 -0.0358 -0.0755 72 ARG D NH2 5016 N N . ALA D 103 ? 0.0822 0.0528 0.3068 -0.0070 0.0128 -0.0432 73 ALA D N 5017 C CA . ALA D 103 ? 0.0565 0.0483 0.2791 -0.0019 0.0165 -0.0414 73 ALA D CA 5018 C C . ALA D 103 ? 0.1093 0.1028 0.3337 -0.0108 0.0211 -0.0288 73 ALA D C 5019 O O . ALA D 103 ? 0.1026 0.1076 0.3270 -0.0071 0.0227 -0.0265 73 ALA D O 5020 C CB . ALA D 103 ? 0.0553 0.0770 0.2733 0.0004 0.0187 -0.0454 73 ALA D CB 5021 N N . GLU D 104 ? 0.0724 0.0552 0.2986 -0.0215 0.0226 -0.0217 74 GLU D N 5022 C CA . GLU D 104 ? 0.0653 0.0528 0.2855 -0.0200 0.0257 -0.0123 74 GLU D CA 5023 C C . GLU D 104 ? 0.1126 0.0837 0.3412 -0.0259 0.0255 -0.0087 74 GLU D C 5024 O O . GLU D 104 ? 0.1123 0.0876 0.3402 -0.0294 0.0277 -0.0027 74 GLU D O 5025 C CB . GLU D 104 ? 0.0751 0.0566 0.2946 -0.0259 0.0263 -0.0079 74 GLU D CB 5026 C CG . GLU D 104 ? 0.1684 0.1565 0.3945 -0.0430 0.0278 -0.0056 74 GLU D CG 5027 C CD . GLU D 104 ? 0.3651 0.3459 0.5925 -0.0498 0.0276 -0.0021 74 GLU D CD 5028 O OE1 . GLU D 104 ? 0.4337 0.4024 0.6642 -0.0498 0.0263 -0.0039 74 GLU D OE1 5029 O OE2 . GLU D 104 ? 0.1805 0.1687 0.4065 -0.0550 0.0280 0.0028 74 GLU D OE2 5030 N N . LEU D 105 ? 0.0761 0.0436 0.3046 -0.0145 0.0217 -0.0125 75 LEU D N 5031 C CA . LEU D 105 ? 0.0724 0.0405 0.3023 -0.0091 0.0203 -0.0083 75 LEU D CA 5032 C C . LEU D 105 ? 0.1094 0.0749 0.3388 -0.0079 0.0212 -0.0099 75 LEU D C 5033 O O . LEU D 105 ? 0.0986 0.0661 0.3277 -0.0081 0.0222 -0.0038 75 LEU D O 5034 C CB . LEU D 105 ? 0.0863 0.0391 0.3201 -0.0061 0.0139 -0.0115 75 LEU D CB 5035 C CG . LEU D 105 ? 0.1429 0.0521 0.3792 -0.0080 0.0112 -0.0046 75 LEU D CG 5036 C CD1 . LEU D 105 ? 0.1380 0.0432 0.3758 -0.0192 0.0148 0.0066 75 LEU D CD1 5037 C CD2 . LEU D 105 ? 0.1551 0.0409 0.3945 -0.0025 0.0029 -0.0090 75 LEU D CD2 5038 N N . ASP D 106 ? 0.0654 0.0485 0.2933 -0.0022 0.0211 -0.0175 76 ASP D N 5039 C CA . ASP D 106 ? 0.0693 0.0768 0.2965 0.0044 0.0223 -0.0189 76 ASP D CA 5040 C C . ASP D 106 ? 0.0867 0.1156 0.3132 -0.0057 0.0265 -0.0130 76 ASP D C 5041 O O . ASP D 106 ? 0.0755 0.1158 0.3027 -0.0070 0.0275 -0.0082 76 ASP D O 5042 C CB . ASP D 106 ? 0.1118 0.1322 0.3379 0.0172 0.0200 -0.0305 76 ASP D CB 5043 C CG . ASP D 106 ? 0.2859 0.2837 0.5128 0.0293 0.0135 -0.0382 76 ASP D CG 5044 O OD1 . ASP D 106 ? 0.2905 0.2778 0.5191 0.0344 0.0111 -0.0345 76 ASP D OD1 5045 O OD2 . ASP D 106 ? 0.4157 0.4062 0.6411 0.0342 0.0100 -0.0480 76 ASP D OD2 5046 N N . THR D 107 ? 0.0439 0.0705 0.2613 -0.0106 0.0272 -0.0132 77 THR D N 5047 C CA . THR D 107 ? 0.0457 0.0713 0.2407 -0.0126 0.0268 -0.0076 77 THR D CA 5048 C C . THR D 107 ? 0.0597 0.0964 0.2826 -0.0322 0.0305 0.0012 77 THR D C 5049 O O . THR D 107 ? 0.0646 0.1132 0.2880 -0.0406 0.0307 0.0068 77 THR D O 5050 C CB . THR D 107 ? 0.0699 0.1317 0.2931 -0.0274 0.0311 -0.0074 77 THR D CB 5051 O OG1 . THR D 107 ? 0.0624 0.1015 0.2853 -0.0318 0.0302 -0.0073 77 THR D OG1 5052 C CG2 . THR D 107 ? 0.0437 0.1065 0.2473 -0.0133 0.0285 -0.0168 77 THR D CG2 5053 N N . VAL D 108 ? 0.0412 0.0380 0.2147 -0.0003 0.0236 -0.0022 78 VAL D N 5054 C CA . VAL D 108 ? 0.0408 0.0380 0.1991 0.0002 0.0214 0.0014 78 VAL D CA 5055 C C . VAL D 108 ? 0.0598 0.0574 0.2666 -0.0181 0.0277 0.0063 78 VAL D C 5056 O O . VAL D 108 ? 0.0608 0.0635 0.2662 -0.0211 0.0272 0.0091 78 VAL D O 5057 C CB . VAL D 108 ? 0.0424 0.0390 0.2255 -0.0008 0.0249 0.0020 78 VAL D CB 5058 C CG1 . VAL D 108 ? 0.0410 0.0381 0.2090 0.0005 0.0225 0.0039 78 VAL D CG1 5059 C CG2 . VAL D 108 ? 0.0434 0.0402 0.2202 -0.0020 0.0239 0.0014 78 VAL D CG2 5060 N N . CYS D 109 ? 0.0475 0.0421 0.2521 -0.0045 0.0266 0.0043 79 CYS D N 5061 C CA . CYS D 109 ? 0.0618 0.0480 0.2769 -0.0130 0.0274 0.0099 79 CYS D CA 5062 C C . CYS D 109 ? 0.0952 0.0812 0.3195 -0.0203 0.0276 0.0124 79 CYS D C 5063 O O . CYS D 109 ? 0.0788 0.0701 0.3009 -0.0217 0.0278 0.0165 79 CYS D O 5064 C CB . CYS D 109 ? 0.0823 0.0486 0.3065 -0.0192 0.0270 0.0122 79 CYS D CB 5065 S SG . CYS D 109 ? 0.1359 0.0822 0.3649 -0.0344 0.0296 0.0154 79 CYS D SG 5066 N N . ARG D 110 ? 0.0638 0.0543 0.2900 -0.0116 0.0256 0.0072 80 ARG D N 5067 C CA . ARG D 110 ? 0.0658 0.0685 0.2924 -0.0025 0.0237 0.0068 80 ARG D CA 5068 C C . ARG D 110 ? 0.1153 0.1442 0.3419 -0.0063 0.0253 0.0073 80 ARG D C 5069 O O . ARG D 110 ? 0.1137 0.1531 0.3401 -0.0042 0.0242 0.0105 80 ARG D O 5070 C CB . ARG D 110 ? 0.0492 0.0499 0.2778 0.0100 0.0204 -0.0007 80 ARG D CB 5071 C CG . ARG D 110 ? 0.1021 0.0738 0.3316 0.0131 0.0165 -0.0004 80 ARG D CG 5072 C CD . ARG D 110 ? 0.1454 0.1120 0.3763 0.0264 0.0114 -0.0101 80 ARG D CD 5073 N NE . ARG D 110 ? 0.2660 0.2056 0.4984 0.0319 0.0051 -0.0071 80 ARG D NE 5074 C CZ . ARG D 110 ? 0.4996 0.4154 0.7338 0.0343 -0.0005 -0.0120 80 ARG D CZ 5075 N NH1 . ARG D 110 ? 0.2153 0.1329 0.4491 0.0332 -0.0004 -0.0216 80 ARG D NH1 5076 N NH2 . ARG D 110 ? 0.4748 0.3646 0.7112 0.0375 -0.0073 -0.0069 80 ARG D NH2 5077 N N . HIS D 111 ? 0.0699 0.1100 0.2970 -0.0128 0.0271 0.0054 81 HIS D N 5078 C CA . HIS D 111 ? 0.0543 0.1177 0.2824 -0.0201 0.0277 0.0081 81 HIS D CA 5079 C C . HIS D 111 ? 0.0940 0.1532 0.3202 -0.0290 0.0268 0.0133 81 HIS D C 5080 O O . HIS D 111 ? 0.0882 0.1632 0.3154 -0.0299 0.0252 0.0154 81 HIS D O 5081 C CB . HIS D 111 ? 0.0541 0.1272 0.2828 -0.0271 0.0292 0.0075 81 HIS D CB 5082 C CG . HIS D 111 ? 0.0898 0.1836 0.3203 -0.0378 0.0286 0.0128 81 HIS D CG 5083 N ND1 . HIS D 111 ? 0.1087 0.2336 0.3428 -0.0361 0.0286 0.0137 81 HIS D ND1 5084 C CD2 . HIS D 111 ? 0.1118 0.1992 0.3416 -0.0506 0.0270 0.0178 81 HIS D CD2 5085 C CE1 . HIS D 111 ? 0.1030 0.2397 0.3391 -0.0493 0.0270 0.0203 81 HIS D CE1 5086 N NE2 . HIS D 111 ? 0.1073 0.2193 0.3406 -0.0579 0.0254 0.0224 81 HIS D NE2 5087 N N . ASN D 112 ? 0.0564 0.0851 0.2647 -0.0254 0.0251 0.0132 82 ASN D N 5088 C CA . ASN D 112 ? 0.0584 0.0791 0.2561 -0.0254 0.0227 0.0149 82 ASN D CA 5089 C C . ASN D 112 ? 0.0985 0.1304 0.3161 -0.0351 0.0253 0.0191 82 ASN D C 5090 O O . ASN D 112 ? 0.1022 0.1374 0.3170 -0.0388 0.0235 0.0201 82 ASN D O 5091 C CB . ASN D 112 ? 0.0413 0.0403 0.2063 -0.0004 0.0185 0.0097 82 ASN D CB 5092 C CG . ASN D 112 ? 0.1392 0.1559 0.3585 -0.0548 0.0260 0.0170 82 ASN D CG 5093 O OD1 . ASN D 112 ? 0.0632 0.0795 0.2480 -0.0295 0.0195 0.0141 82 ASN D OD1 5094 N ND2 . ASN D 112 ? 0.0717 0.0722 0.2626 -0.0313 0.0220 0.0125 82 ASN D ND2 5095 N N . TYR D 113 ? 0.0635 0.0889 0.2818 -0.0261 0.0259 0.0198 83 TYR D N 5096 C CA . TYR D 113 ? 0.0726 0.0966 0.2885 -0.0202 0.0246 0.0237 83 TYR D CA 5097 C C . TYR D 113 ? 0.1237 0.1693 0.3405 -0.0174 0.0220 0.0239 83 TYR D C 5098 O O . TYR D 113 ? 0.1365 0.1864 0.3498 -0.0173 0.0204 0.0268 83 TYR D O 5099 C CB . TYR D 113 ? 0.1029 0.1114 0.3201 -0.0121 0.0242 0.0259 83 TYR D CB 5100 C CG . TYR D 113 ? 0.1346 0.1395 0.3487 -0.0080 0.0227 0.0329 83 TYR D CG 5101 C CD1 . TYR D 113 ? 0.1591 0.1562 0.3693 -0.0128 0.0245 0.0380 83 TYR D CD1 5102 C CD2 . TYR D 113 ? 0.1540 0.1667 0.3690 0.0011 0.0195 0.0349 83 TYR D CD2 5103 C CE1 . TYR D 113 ? 0.1808 0.1782 0.3872 -0.0096 0.0234 0.0458 83 TYR D CE1 5104 C CE2 . TYR D 113 ? 0.1751 0.1854 0.3866 0.0046 0.0177 0.0428 83 TYR D CE2 5105 C CZ . TYR D 113 ? 0.2670 0.2702 0.4739 -0.0013 0.0198 0.0488 83 TYR D CZ 5106 O OH . TYR D 113 ? 0.2686 0.2730 0.4714 0.0017 0.0182 0.0579 83 TYR D OH 5107 N N . GLN D 114 ? 0.0497 0.1114 0.2713 -0.0153 0.0217 0.0208 84 GLN D N 5108 C CA . GLN D 114 ? 0.0417 0.1172 0.2538 -0.0112 0.0182 0.0209 84 GLN D CA 5109 C C . GLN D 114 ? 0.0927 0.1889 0.3156 -0.0252 0.0174 0.0226 84 GLN D C 5110 O O . GLN D 114 ? 0.1086 0.2178 0.3311 -0.0247 0.0145 0.0242 84 GLN D O 5111 C CB . GLN D 114 ? 0.0408 0.1364 0.2592 -0.0088 0.0193 0.0175 84 GLN D CB 5112 C CG . GLN D 114 ? 0.0652 0.1675 0.2970 0.0049 0.0205 0.0134 84 GLN D CG 5113 C CD . GLN D 114 ? 0.2537 0.3531 0.4851 0.0172 0.0173 0.0153 84 GLN D CD 5114 O OE1 . GLN D 114 ? 0.2262 0.3010 0.4552 0.0223 0.0160 0.0168 84 GLN D OE1 5115 N NE2 . GLN D 114 ? 0.1307 0.2559 0.3650 0.0209 0.0154 0.0165 84 GLN D NE2 5116 N N . LEU D 115 ? 0.0532 0.1392 0.2744 -0.0353 0.0181 0.0216 85 LEU D N 5117 C CA . LEU D 115 ? 0.0585 0.1358 0.2673 -0.0422 0.0136 0.0213 85 LEU D CA 5118 C C . LEU D 115 ? 0.1108 0.1849 0.3231 -0.0458 0.0133 0.0212 85 LEU D C 5119 O O . LEU D 115 ? 0.1065 0.1874 0.3166 -0.0510 0.0089 0.0202 85 LEU D O 5120 C CB . LEU D 115 ? 0.0640 0.1251 0.2635 -0.0453 0.0127 0.0200 85 LEU D CB 5121 C CG . LEU D 115 ? 0.0897 0.1812 0.3162 -0.0597 0.0163 0.0228 85 LEU D CG 5122 C CD1 . LEU D 115 ? 0.0848 0.1626 0.3109 -0.0666 0.0171 0.0232 85 LEU D CD1 5123 C CD2 . LEU D 115 ? 0.1192 0.2365 0.3509 -0.0675 0.0125 0.0261 85 LEU D CD2 5124 N N . GLU D 116 ? 0.0709 0.1290 0.2795 -0.0392 0.0167 0.0220 86 GLU D N 5125 C CA . GLU D 116 ? 0.0669 0.1187 0.2681 -0.0364 0.0164 0.0230 86 GLU D CA 5126 C C . GLU D 116 ? 0.1304 0.1975 0.3298 -0.0306 0.0137 0.0259 86 GLU D C 5127 O O . GLU D 116 ? 0.1280 0.1991 0.3211 -0.0317 0.0111 0.0251 86 GLU D O 5128 C CB . GLU D 116 ? 0.0814 0.1166 0.2808 -0.0319 0.0207 0.0258 86 GLU D CB 5129 C CG . GLU D 116 ? 0.1747 0.1956 0.3755 -0.0366 0.0233 0.0232 86 GLU D CG 5130 C CD . GLU D 116 ? 0.3473 0.3642 0.5440 -0.0432 0.0213 0.0184 86 GLU D CD 5131 O OE1 . GLU D 116 ? 0.1527 0.1756 0.3441 -0.0439 0.0180 0.0162 86 GLU D OE1 5132 O OE2 . GLU D 116 ? 0.1656 0.1728 0.3642 -0.0469 0.0222 0.0163 86 GLU D OE2 5133 N N . LEU D 117 ? 0.0836 0.1599 0.2882 -0.0234 0.0138 0.0286 87 LEU D N 5134 C CA . LEU D 117 ? 0.0755 0.1672 0.2798 -0.0162 0.0108 0.0319 87 LEU D CA 5135 C C . LEU D 117 ? 0.1507 0.2633 0.3554 -0.0228 0.0060 0.0293 87 LEU D C 5136 O O . LEU D 117 ? 0.1577 0.2796 0.3579 -0.0208 0.0028 0.0308 87 LEU D O 5137 C CB . LEU D 117 ? 0.0673 0.1637 0.2781 -0.0056 0.0112 0.0334 87 LEU D CB 5138 C CG . LEU D 117 ? 0.1142 0.1900 0.3250 0.0031 0.0129 0.0367 87 LEU D CG 5139 C CD1 . LEU D 117 ? 0.1024 0.1816 0.3200 0.0130 0.0122 0.0339 87 LEU D CD1 5140 C CD2 . LEU D 117 ? 0.1325 0.2024 0.3381 0.0088 0.0112 0.0444 87 LEU D CD2 5141 N N . ARG D 118 ? 0.1042 0.2241 0.3145 -0.0319 0.0050 0.0262 88 ARG D N 5142 C CA . ARG D 118 ? 0.0992 0.2358 0.3114 -0.0422 -0.0007 0.0243 88 ARG D CA 5143 C C . ARG D 118 ? 0.1587 0.2832 0.3627 -0.0497 -0.0047 0.0201 88 ARG D C 5144 O O . ARG D 118 ? 0.1675 0.3044 0.3710 -0.0557 -0.0111 0.0181 88 ARG D O 5145 C CB . ARG D 118 ? 0.0923 0.2388 0.3131 -0.0514 -0.0008 0.0244 88 ARG D CB 5146 C CG . ARG D 118 ? 0.1871 0.3519 0.4157 -0.0434 0.0027 0.0266 88 ARG D CG 5147 C CD . ARG D 118 ? 0.3438 0.5288 0.5808 -0.0543 0.0017 0.0283 88 ARG D CD 5148 N NE . ARG D 118 ? 0.5282 0.7187 0.7693 -0.0479 0.0071 0.0282 88 ARG D NE 5149 C CZ . ARG D 118 ? 0.7566 0.9495 1.0008 -0.0567 0.0087 0.0296 88 ARG D CZ 5150 N NH1 . ARG D 118 ? 0.6030 0.7911 0.8478 -0.0731 0.0047 0.0324 88 ARG D NH1 5151 N NH2 . ARG D 118 ? 0.6023 0.8016 0.8487 -0.0488 0.0134 0.0282 88 ARG D NH2 5152 N N . THR D 119 ? 0.1112 0.2126 0.3095 -0.0493 -0.0015 0.0180 89 THR D N 5153 C CA . THR D 119 ? 0.1142 0.2026 0.3049 -0.0548 -0.0051 0.0119 89 THR D CA 5154 C C . THR D 119 ? 0.1733 0.2530 0.3535 -0.0466 -0.0023 0.0110 89 THR D C 5155 O O . THR D 119 ? 0.1799 0.2699 0.3536 -0.0430 -0.0051 0.0104 89 THR D O 5156 C CB . THR D 119 ? 0.1423 0.2141 0.3359 -0.0637 -0.0056 0.0090 89 THR D CB 5157 O OG1 . THR D 119 ? 0.1413 0.2013 0.3367 -0.0589 0.0016 0.0117 89 THR D OG1 5158 C CG2 . THR D 119 ? 0.0809 0.1633 0.2815 -0.0733 -0.0100 0.0111 89 THR D CG2 5159 N N . THR D 120 ? 0.1219 0.1857 0.3009 -0.0436 0.0034 0.0119 90 THR D N 5160 C CA . THR D 120 ? 0.1310 0.1896 0.3013 -0.0376 0.0066 0.0119 90 THR D CA 5161 C C . THR D 120 ? 0.1909 0.2614 0.3574 -0.0293 0.0085 0.0197 90 THR D C 5162 O O . THR D 120 ? 0.1940 0.2717 0.3513 -0.0260 0.0074 0.0187 90 THR D O 5163 C CB . THR D 120 ? 0.2343 0.2770 0.4069 -0.0368 0.0126 0.0133 90 THR D CB 5164 O OG1 . THR D 120 ? 0.2727 0.3041 0.4482 -0.0437 0.0102 0.0071 90 THR D OG1 5165 C CG2 . THR D 120 ? 0.2205 0.2623 0.3850 -0.0319 0.0156 0.0132 90 THR D CG2 5166 N N . LEU D 121 ? 0.1284 0.2015 0.3017 -0.0256 0.0103 0.0268 91 LEU D N 5167 C CA . LEU D 121 ? 0.1262 0.2057 0.2978 -0.0174 0.0113 0.0359 91 LEU D CA 5168 C C . LEU D 121 ? 0.1749 0.2743 0.3446 -0.0149 0.0058 0.0365 91 LEU D C 5169 O O . LEU D 121 ? 0.1682 0.2745 0.3368 -0.0076 0.0052 0.0442 91 LEU D O 5170 C CB . LEU D 121 ? 0.1229 0.1926 0.3028 -0.0133 0.0141 0.0417 91 LEU D CB 5171 C CG . LEU D 121 ? 0.1794 0.2305 0.3618 -0.0154 0.0189 0.0425 91 LEU D CG 5172 C CD1 . LEU D 121 ? 0.1731 0.2145 0.3635 -0.0112 0.0196 0.0458 91 LEU D CD1 5173 C CD2 . LEU D 121 ? 0.2221 0.2695 0.3978 -0.0149 0.0220 0.0478 91 LEU D CD2 5174 N N . GLN D 122 ? 0.1326 0.2407 0.3025 -0.0216 0.0009 0.0285 92 GLN D N 5175 C CA . GLN D 122 ? 0.1334 0.2616 0.3007 -0.0210 -0.0052 0.0275 92 GLN D CA 5176 C C . GLN D 122 ? 0.1810 0.3126 0.3369 -0.0242 -0.0095 0.0198 92 GLN D C 5177 O O . GLN D 122 ? 0.1794 0.3282 0.3308 -0.0233 -0.0153 0.0185 92 GLN D O 5178 C CB . GLN D 122 ? 0.1473 0.2874 0.3250 -0.0267 -0.0091 0.0250 92 GLN D CB 5179 C CG . GLN D 122 ? 0.3816 0.5423 0.5638 -0.0188 -0.0111 0.0313 92 GLN D CG 5180 C CD . GLN D 122 ? 0.6244 0.7988 0.8190 -0.0210 -0.0120 0.0311 92 GLN D CD 5181 O OE1 . GLN D 122 ? 0.5574 0.7396 0.7578 -0.0115 -0.0105 0.0358 92 GLN D OE1 5182 N NE2 . GLN D 122 ? 0.5687 0.7474 0.7676 -0.0335 -0.0152 0.0259 92 GLN D NE2 5183 N N . ARG D 123 ? 0.1198 0.2357 0.2710 -0.0268 -0.0072 0.0141 93 ARG D N 5184 C CA . ARG D 123 ? 0.1139 0.2306 0.2541 -0.0282 -0.0118 0.0040 93 ARG D CA 5185 C C . ARG D 123 ? 0.1684 0.2998 0.2962 -0.0194 -0.0108 0.0075 93 ARG D C 5186 O O . ARG D 123 ? 0.1534 0.2839 0.2791 -0.0135 -0.0040 0.0166 93 ARG D O 5187 C CB . ARG D 123 ? 0.0834 0.1801 0.2224 -0.0309 -0.0094 -0.0030 93 ARG D CB 5188 C CG . ARG D 123 ? 0.1254 0.2205 0.2523 -0.0293 -0.0140 -0.0153 93 ARG D CG 5189 C CD . ARG D 123 ? 0.1285 0.2024 0.2570 -0.0320 -0.0136 -0.0230 93 ARG D CD 5190 N NE . ARG D 123 ? 0.1309 0.2020 0.2474 -0.0267 -0.0165 -0.0354 93 ARG D NE 5191 C CZ . ARG D 123 ? 0.1846 0.2521 0.2949 -0.0289 -0.0270 -0.0490 93 ARG D CZ 5192 N NH1 . ARG D 123 ? 0.0383 0.0508 0.0752 0.0019 -0.0033 -0.0218 93 ARG D NH1 5193 N NH2 . ARG D 123 ? 0.0592 0.1177 0.1506 -0.0157 -0.0241 -0.0584 93 ARG D NH2 5194 N N . ARG D 124 ? 0.1381 0.2835 0.2578 -0.0197 -0.0183 0.0002 94 ARG D N 5195 C CA . ARG D 124 ? 0.1501 0.3136 0.2568 -0.0115 -0.0183 0.0031 94 ARG D CA 5196 C C . ARG D 124 ? 0.2125 0.3808 0.3067 -0.0119 -0.0257 -0.0128 94 ARG D C 5197 O O . ARG D 124 ? 0.2349 0.4067 0.3300 -0.0178 -0.0352 -0.0216 94 ARG D O 5198 C CB . ARG D 124 ? 0.1578 0.3405 0.2667 -0.0077 -0.0206 0.0140 94 ARG D CB 5199 C CG . ARG D 124 ? 0.2706 0.4533 0.3946 -0.0121 -0.0228 0.0175 94 ARG D CG 5200 C CD . ARG D 124 ? 0.3073 0.5064 0.4347 -0.0047 -0.0233 0.0301 94 ARG D CD 5201 N NE . ARG D 124 ? 0.3078 0.5001 0.4501 -0.0054 -0.0209 0.0349 94 ARG D NE 5202 C CZ . ARG D 124 ? 0.3855 0.5816 0.5339 0.0028 -0.0192 0.0458 94 ARG D CZ 5203 N NH1 . ARG D 124 ? 0.2088 0.4148 0.3504 0.0116 -0.0201 0.0555 94 ARG D NH1 5204 N NH2 . ARG D 124 ? 0.1697 0.3596 0.3305 0.0029 -0.0172 0.0469 94 ARG D NH2 5205 N N . VAL D 125 ? 0.1510 0.3196 0.2338 -0.0056 -0.0218 -0.0170 95 VAL D N 5206 C CA . VAL D 125 ? 0.1622 0.3357 0.2312 -0.0029 -0.0289 -0.0342 95 VAL D CA 5207 C C . VAL D 125 ? 0.2141 0.4138 0.2681 0.0076 -0.0252 -0.0288 95 VAL D C 5208 O O . VAL D 125 ? 0.1833 0.3869 0.2345 0.0132 -0.0156 -0.0198 95 VAL D O 5209 C CB . VAL D 125 ? 0.2110 0.3624 0.2792 -0.0035 -0.0293 -0.0481 95 VAL D CB 5210 C CG1 . VAL D 125 ? 0.2298 0.3844 0.2833 0.0007 -0.0391 -0.0684 95 VAL D CG1 5211 C CG2 . VAL D 125 ? 0.1968 0.3236 0.2806 -0.0148 -0.0323 -0.0491 95 VAL D CG2 5212 N N . GLU D 126 ? 0.2127 0.4327 0.2582 0.0093 -0.0329 -0.0318 96 GLU D N 5213 C CA . GLU D 126 ? 0.2344 0.4833 0.2643 0.0189 -0.0309 -0.0261 96 GLU D CA 5214 C C . GLU D 126 ? 0.3224 0.5783 0.3367 0.0271 -0.0292 -0.0395 96 GLU D C 5215 O O . GLU D 126 ? 0.3306 0.5730 0.3416 0.0262 -0.0365 -0.0601 96 GLU D O 5216 C CB . GLU D 126 ? 0.2634 0.5323 0.2876 0.0186 -0.0414 -0.0293 96 GLU D CB 5217 C CG . GLU D 126 ? 0.3913 0.6624 0.4296 0.0139 -0.0426 -0.0145 96 GLU D CG 5218 C CD . GLU D 126 ? 0.7289 1.0259 0.7612 0.0154 -0.0520 -0.0148 96 GLU D CD 5219 O OE1 . GLU D 126 ? 0.6996 1.0073 0.7193 0.0161 -0.0609 -0.0313 96 GLU D OE1 5220 O OE2 . GLU D 126 ? 0.6961 1.0026 0.7364 0.0165 -0.0512 0.0009 96 GLU D OE2 5221 N N . PRO D 127 ? 0.2977 0.5743 0.3029 0.0353 -0.0199 -0.0279 97 PRO D N 5222 C CA . PRO D 127 ? 0.3217 0.6104 0.3120 0.0448 -0.0174 -0.0409 97 PRO D CA 5223 C C . PRO D 127 ? 0.4206 0.7327 0.3913 0.0524 -0.0267 -0.0580 97 PRO D C 5224 O O . PRO D 127 ? 0.4248 0.7558 0.3901 0.0524 -0.0315 -0.0517 97 PRO D O 5225 C CB . PRO D 127 ? 0.3381 0.6463 0.3267 0.0490 -0.0045 -0.0192 97 PRO D CB 5226 C CG . PRO D 127 ? 0.3863 0.7013 0.3807 0.0450 -0.0041 0.0028 97 PRO D CG 5227 C CD . PRO D 127 ? 0.3143 0.6046 0.3226 0.0364 -0.0119 -0.0019 97 PRO D CD 5228 N N . THR D 128 ? 0.4040 0.7148 0.3637 0.0600 -0.0299 -0.0804 98 THR D N 5229 C CA . THR D 128 ? 0.4331 0.7655 0.3719 0.0700 -0.0389 -0.1009 98 THR D CA 5230 C C . THR D 128 ? 0.5026 0.8731 0.4262 0.0829 -0.0279 -0.0935 98 THR D C 5231 O O . THR D 128 ? 0.4938 0.8630 0.4196 0.0876 -0.0187 -0.0928 98 THR D O 5232 C CB . THR D 128 ? 0.5415 0.8467 0.4782 0.0713 -0.0505 -0.1306 98 THR D CB 5233 O OG1 . THR D 128 ? 0.5324 0.8039 0.4861 0.0565 -0.0590 -0.1316 98 THR D OG1 5234 C CG2 . THR D 128 ? 0.5342 0.8581 0.4488 0.0819 -0.0623 -0.1552 98 THR D CG2 5235 N N . VAL D 129 ? 0.4757 0.8825 0.3848 0.0881 -0.0284 -0.0857 99 VAL D N 5236 C CA . VAL D 129 ? 0.4840 0.9332 0.3781 0.0990 -0.0180 -0.0746 99 VAL D CA 5237 C C . VAL D 129 ? 0.5666 1.0451 0.4355 0.1133 -0.0257 -0.0996 99 VAL D C 5238 O O . VAL D 129 ? 0.5706 1.0564 0.4305 0.1131 -0.0373 -0.1088 99 VAL D O 5239 C CB . VAL D 129 ? 0.5232 0.9931 0.4204 0.0939 -0.0114 -0.0413 99 VAL D CB 5240 C CG1 . VAL D 129 ? 0.5298 1.0440 0.4134 0.1027 -0.0002 -0.0259 99 VAL D CG1 5241 C CG2 . VAL D 129 ? 0.4937 0.9307 0.4154 0.0810 -0.0061 -0.0205 99 VAL D CG2 5242 N N . THR D 130 ? 0.5400 1.0366 0.3980 0.1262 -0.0197 -0.1116 100 THR D N 5243 C CA . THR D 130 ? 0.5684 1.0944 0.4014 0.1431 -0.0261 -0.1382 100 THR D CA 5244 C C . THR D 130 ? 0.6287 1.2008 0.4495 0.1564 -0.0119 -0.1306 100 THR D C 5245 O O . THR D 130 ? 0.6003 1.1671 0.4339 0.1544 -0.0002 -0.1182 100 THR D O 5246 C CB . THR D 130 ? 0.6863 1.1758 0.5189 0.1475 -0.0391 -0.1740 100 THR D CB 5247 O OG1 . THR D 130 ? 0.6920 1.1434 0.5457 0.1399 -0.0340 -0.1696 100 THR D OG1 5248 C CG2 . THR D 130 ? 0.6780 1.1428 0.5105 0.1395 -0.0574 -0.1899 100 THR D CG2 5249 N N . ILE D 131 ? 0.6242 1.2443 0.4202 0.1700 -0.0133 -0.1380 101 ILE D N 5250 C CA . ILE D 131 ? 0.6381 1.3121 0.4194 0.1841 -0.0004 -0.1318 101 ILE D CA 5251 C C . ILE D 131 ? 0.7227 1.4106 0.4836 0.2053 -0.0076 -0.1717 101 ILE D C 5252 O O . ILE D 131 ? 0.7371 1.4255 0.4819 0.2119 -0.0221 -0.1963 101 ILE D O 5253 C CB . ILE D 131 ? 0.6828 1.4092 0.4511 0.1838 0.0060 -0.1039 101 ILE D CB 5254 C CG1 . ILE D 131 ? 0.6629 1.3708 0.4511 0.1642 0.0104 -0.0659 101 ILE D CG1 5255 C CG2 . ILE D 131 ? 0.6973 1.4818 0.4526 0.1964 0.0204 -0.0945 101 ILE D CG2 5256 C CD1 . ILE D 131 ? 0.7577 1.5074 0.5335 0.1629 0.0119 -0.0396 101 ILE D CD1 5257 N N . SER D 132 ? 0.6855 1.3847 0.4476 0.2162 0.0019 -0.1785 102 SER D N 5258 C CA . SER D 132 ? 0.7125 1.4269 0.4565 0.2394 -0.0032 -0.2157 102 SER D CA 5259 C C . SER D 132 ? 0.7671 1.5511 0.4972 0.2548 0.0127 -0.2059 102 SER D C 5260 O O . SER D 132 ? 0.7340 1.5339 0.4784 0.2454 0.0284 -0.1735 102 SER D O 5261 C CB . SER D 132 ? 0.7515 1.4136 0.5113 0.2402 -0.0080 -0.2356 102 SER D CB 5262 N N . PRO D 133 ? 0.7604 1.5886 0.4629 0.2780 0.0090 -0.2325 103 PRO D N 5263 C CA . PRO D 133 ? 0.7969 1.6983 0.4862 0.2923 0.0251 -0.2211 103 PRO D CA 5264 C C . PRO D 133 ? 1.1269 2.0346 0.8209 0.3083 0.0320 -0.2381 103 PRO D C 5265 O O . PRO D 133 ? 0.6673 1.5710 0.3475 0.3299 0.0223 -0.2781 103 PRO D O 5266 C CB . PRO D 133 ? 0.8493 1.7967 0.5060 0.3099 0.0171 -0.2421 103 PRO D CB 5267 C CG . PRO D 133 ? 0.9117 1.8039 0.5641 0.3110 -0.0055 -0.2779 103 PRO D CG 5268 C CD . PRO D 133 ? 0.8227 1.6395 0.5046 0.2918 -0.0104 -0.2734 103 PRO D CD 5269 N N . LEU D 144 ? 0.7427 1.8111 0.4993 0.2500 0.1128 -0.0482 114 LEU D N 5270 C CA . LEU D 144 ? 0.7674 1.8523 0.4952 0.2685 0.1019 -0.0785 114 LEU D CA 5271 C C . LEU D 144 ? 0.8036 1.8165 0.5345 0.2598 0.0845 -0.0946 114 LEU D C 5272 O O . LEU D 144 ? 0.8120 1.7962 0.5341 0.2741 0.0719 -0.1350 114 LEU D O 5273 C CB . LEU D 144 ? 0.7853 1.9418 0.4925 0.2702 0.1087 -0.0546 114 LEU D CB 5274 N N . LEU D 145 ? 0.7367 1.7206 0.4808 0.2367 0.0832 -0.0633 115 LEU D N 5275 C CA . LEU D 145 ? 0.7226 1.6416 0.4735 0.2259 0.0681 -0.0733 115 LEU D CA 5276 C C . LEU D 145 ? 0.7334 1.5920 0.5151 0.2069 0.0694 -0.0594 115 LEU D C 5277 O O . LEU D 145 ? 0.7072 1.5718 0.5050 0.1919 0.0801 -0.0236 115 LEU D O 5278 C CB . LEU D 145 ? 0.7272 1.6587 0.4689 0.2166 0.0637 -0.0517 115 LEU D CB 5279 C CG . LEU D 145 ? 0.8187 1.7937 0.5292 0.2331 0.0562 -0.0707 115 LEU D CG 5280 C CD1 . LEU D 145 ? 0.8233 1.8080 0.5297 0.2210 0.0532 -0.0424 115 LEU D CD1 5281 C CD2 . LEU D 145 ? 0.8613 1.8007 0.5619 0.2453 0.0391 -0.1177 115 LEU D CD2 5282 N N . VAL D 146 ? 0.6828 1.4836 0.4728 0.2071 0.0580 -0.0870 116 VAL D N 5283 C CA . VAL D 146 ? 0.6498 1.3944 0.4677 0.1902 0.0587 -0.0759 116 VAL D CA 5284 C C . VAL D 146 ? 0.6753 1.3680 0.5007 0.1765 0.0457 -0.0769 116 VAL D C 5285 O O . VAL D 146 ? 0.6797 1.3534 0.4944 0.1833 0.0319 -0.1058 116 VAL D O 5286 C CB . VAL D 146 ? 0.6987 1.4205 0.5258 0.1991 0.0591 -0.0998 116 VAL D CB 5287 C CG1 . VAL D 146 ? 0.7217 1.4270 0.5330 0.2170 0.0447 -0.1441 116 VAL D CG1 5288 C CG2 . VAL D 146 ? 0.6664 1.3326 0.5216 0.1810 0.0598 -0.0870 116 VAL D CG2 5289 N N . CYS D 147 ? 0.6044 1.2770 0.4481 0.1574 0.0499 -0.0446 117 CYS D N 5290 C CA . CYS D 147 ? 0.5838 1.2100 0.4385 0.1437 0.0398 -0.0411 117 CYS D CA 5291 C C . CYS D 147 ? 0.5673 1.1375 0.4423 0.1366 0.0362 -0.0534 117 CYS D C 5292 O O . CYS D 147 ? 0.5390 1.0939 0.4328 0.1268 0.0446 -0.0348 117 CYS D O 5293 C CB . CYS D 147 ? 0.5829 1.2150 0.4466 0.1294 0.0450 -0.0024 117 CYS D CB 5294 S SG . CYS D 147 ? 0.6300 1.2223 0.5011 0.1178 0.0319 0.0007 117 CYS D SG 5295 N N . SER D 148 ? 0.5023 1.0437 0.3729 0.1417 0.0232 -0.0850 118 SER D N 5296 C CA . SER D 148 ? 0.4732 0.9622 0.3604 0.1358 0.0176 -0.0991 118 SER D CA 5297 C C . SER D 148 ? 0.4611 0.9108 0.3643 0.1181 0.0112 -0.0870 118 SER D C 5298 O O . SER D 148 ? 0.4596 0.8962 0.3574 0.1163 -0.0014 -0.1006 118 SER D O 5299 C CB . SER D 148 ? 0.5453 1.0225 0.4199 0.1495 0.0055 -0.1376 118 SER D CB 5300 O OG . SER D 148 ? 0.6817 1.1051 0.5710 0.1416 -0.0038 -0.1510 118 SER D OG 5301 N N . VAL D 149 ? 0.3647 0.7989 0.2875 0.1055 0.0199 -0.0613 119 VAL D N 5302 C CA . VAL D 149 ? 0.3345 0.7344 0.2742 0.0901 0.0161 -0.0477 119 VAL D CA 5303 C C . VAL D 149 ? 0.3588 0.7138 0.3138 0.0845 0.0119 -0.0618 119 VAL D C 5304 O O . VAL D 149 ? 0.3412 0.6829 0.3105 0.0797 0.0199 -0.0511 119 VAL D O 5305 C CB . VAL D 149 ? 0.3616 0.7700 0.3125 0.0810 0.0263 -0.0130 119 VAL D CB 5306 C CG1 . VAL D 149 ? 0.3396 0.7165 0.3056 0.0685 0.0212 -0.0018 119 VAL D CG1 5307 C CG2 . VAL D 149 ? 0.3730 0.8287 0.3082 0.0868 0.0311 0.0030 119 VAL D CG2 5308 N N . THR D 150 ? 0.3078 0.6407 0.2594 0.0848 -0.0013 -0.0853 120 THR D N 5309 C CA . THR D 150 ? 0.2902 0.5822 0.2540 0.0802 -0.0069 -0.0998 120 THR D CA 5310 C C . THR D 150 ? 0.3042 0.5632 0.2837 0.0648 -0.0139 -0.0943 120 THR D C 5311 O O . THR D 150 ? 0.2861 0.5530 0.2655 0.0592 -0.0172 -0.0848 120 THR D O 5312 C CB . THR D 150 ? 0.3816 0.6685 0.3315 0.0919 -0.0180 -0.1320 120 THR D CB 5313 O OG1 . THR D 150 ? 0.3670 0.6690 0.3016 0.0950 -0.0284 -0.1431 120 THR D OG1 5314 C CG2 . THR D 150 ? 0.3806 0.6920 0.3202 0.1083 -0.0102 -0.1405 120 THR D CG2 5315 N N . ASP D 151 ? 0.2509 0.4755 0.2442 0.0588 -0.0155 -0.0995 121 ASP D N 5316 C CA . ASP D 151 ? 0.2367 0.4278 0.2461 0.0447 -0.0218 -0.0974 121 ASP D CA 5317 C C . ASP D 151 ? 0.2476 0.4426 0.2677 0.0348 -0.0177 -0.0748 121 ASP D C 5318 O O . ASP D 151 ? 0.2418 0.4339 0.2638 0.0281 -0.0263 -0.0763 121 ASP D O 5319 C CB . ASP D 151 ? 0.2846 0.4588 0.2889 0.0423 -0.0384 -0.1194 121 ASP D CB 5320 C CG . ASP D 151 ? 0.4431 0.6006 0.4405 0.0509 -0.0455 -0.1434 121 ASP D CG 5321 O OD1 . ASP D 151 ? 0.4439 0.5862 0.4492 0.0525 -0.0398 -0.1422 121 ASP D OD1 5322 O OD2 . ASP D 151 ? 0.5705 0.7287 0.5546 0.0563 -0.0580 -0.1641 121 ASP D OD2 5323 N N . PHE D 152 ? 0.1830 0.3837 0.2111 0.0337 -0.0057 -0.0546 122 PHE D N 5324 C CA . PHE D 152 ? 0.1604 0.3612 0.1991 0.0261 -0.0025 -0.0340 122 PHE D CA 5325 C C . PHE D 152 ? 0.1805 0.3568 0.2373 0.0183 0.0032 -0.0235 122 PHE D C 5326 O O . PHE D 152 ? 0.1711 0.3378 0.2314 0.0196 0.0082 -0.0263 122 PHE D O 5327 C CB . PHE D 152 ? 0.1841 0.4152 0.2146 0.0315 0.0042 -0.0166 122 PHE D CB 5328 C CG . PHE D 152 ? 0.1994 0.4442 0.2280 0.0364 0.0154 -0.0065 122 PHE D CG 5329 C CD1 . PHE D 152 ? 0.2206 0.4544 0.2632 0.0305 0.0233 0.0117 122 PHE D CD1 5330 C CD2 . PHE D 152 ? 0.2459 0.5178 0.2586 0.0468 0.0176 -0.0147 122 PHE D CD2 5331 C CE1 . PHE D 152 ? 0.2363 0.4852 0.2784 0.0330 0.0329 0.0227 122 PHE D CE1 5332 C CE2 . PHE D 152 ? 0.2799 0.5700 0.2919 0.0505 0.0283 -0.0038 122 PHE D CE2 5333 C CZ . PHE D 152 ? 0.2398 0.5182 0.2672 0.0426 0.0358 0.0156 122 PHE D CZ 5334 N N . TYR D 153 ? 0.1251 0.2934 0.1931 0.0111 0.0020 -0.0124 123 TYR D N 5335 C CA . TYR D 153 ? 0.1057 0.2537 0.1900 0.0044 0.0064 -0.0025 123 TYR D CA 5336 C C . TYR D 153 ? 0.1685 0.3207 0.2598 0.0022 0.0063 0.0127 123 TYR D C 5337 O O . TYR D 153 ? 0.1688 0.3299 0.2577 0.0015 -0.0009 0.0094 123 TYR D O 5338 C CB . TYR D 153 ? 0.1108 0.2346 0.2037 -0.0026 0.0011 -0.0150 123 TYR D CB 5339 C CG . TYR D 153 ? 0.1112 0.2168 0.2179 -0.0073 0.0072 -0.0069 123 TYR D CG 5340 C CD1 . TYR D 153 ? 0.1232 0.2229 0.2413 -0.0123 0.0077 0.0030 123 TYR D CD1 5341 C CD2 . TYR D 153 ? 0.1180 0.2151 0.2259 -0.0054 0.0125 -0.0093 123 TYR D CD2 5342 C CE1 . TYR D 153 ? 0.1174 0.2020 0.2469 -0.0155 0.0129 0.0094 123 TYR D CE1 5343 C CE2 . TYR D 153 ? 0.1165 0.1985 0.2366 -0.0097 0.0176 -0.0020 123 TYR D CE2 5344 C CZ . TYR D 153 ? 0.1825 0.2579 0.3128 -0.0148 0.0176 0.0071 123 TYR D CZ 5345 O OH . TYR D 153 ? 0.1736 0.2352 0.3147 -0.0182 0.0220 0.0130 123 TYR D OH 5346 N N . PRO D 154 ? 0.1219 0.2683 0.2219 0.0017 0.0128 0.0289 124 PRO D N 5347 C CA . PRO D 154 ? 0.1164 0.2526 0.2220 0.0008 0.0207 0.0355 124 PRO D CA 5348 C C . PRO D 154 ? 0.1918 0.3471 0.2872 0.0059 0.0264 0.0410 124 PRO D C 5349 O O . PRO D 154 ? 0.1964 0.3734 0.2788 0.0112 0.0244 0.0388 124 PRO D O 5350 C CB . PRO D 154 ? 0.1299 0.2550 0.2474 -0.0015 0.0224 0.0502 124 PRO D CB 5351 C CG . PRO D 154 ? 0.1884 0.3272 0.3019 0.0020 0.0176 0.0569 124 PRO D CG 5352 C CD . PRO D 154 ? 0.1351 0.2836 0.2414 0.0019 0.0110 0.0414 124 PRO D CD 5353 N N . ALA D 155 ? 0.1537 0.3035 0.2551 0.0042 0.0333 0.0477 125 ALA D N 5354 C CA . ALA D 155 ? 0.1682 0.3384 0.2629 0.0077 0.0400 0.0540 125 ALA D CA 5355 C C . ALA D 155 ? 0.2622 0.4550 0.3503 0.0096 0.0422 0.0728 125 ALA D C 5356 O O . ALA D 155 ? 0.2661 0.4855 0.3436 0.0143 0.0462 0.0745 125 ALA D O 5357 C CB . ALA D 155 ? 0.1688 0.3271 0.2749 0.0032 0.0460 0.0595 125 ALA D CB 5358 N N . GLN D 156 ? 0.2460 0.4312 0.3392 0.0071 0.0393 0.0866 126 GLN D N 5359 C CA . GLN D 156 ? 0.2593 0.4637 0.3465 0.0086 0.0404 0.1066 126 GLN D CA 5360 C C . GLN D 156 ? 0.3191 0.5533 0.3895 0.0154 0.0384 0.1035 126 GLN D C 5361 O O . GLN D 156 ? 0.3197 0.5551 0.3847 0.0186 0.0322 0.0912 126 GLN D O 5362 C CB . GLN D 156 ? 0.2813 0.4678 0.3782 0.0059 0.0366 0.1215 126 GLN D CB 5363 C CG . GLN D 156 ? 0.6286 0.7854 0.7411 0.0001 0.0377 0.1207 126 GLN D CG 5364 C CD . GLN D 156 ? 0.9617 1.0995 1.0807 0.0008 0.0324 0.1070 126 GLN D CD 5365 O OE1 . GLN D 156 ? 0.8678 0.9930 0.9919 -0.0018 0.0332 0.0929 126 GLN D OE1 5366 N NE2 . GLN D 156 ? 0.8878 1.0258 1.0068 0.0044 0.0268 0.1123 126 GLN D NE2 5367 N N . ILE D 157 ? 0.2809 0.5419 0.3430 0.0172 0.0436 0.1158 127 ILE D N 5368 C CA . ILE D 157 ? 0.2917 0.5871 0.3354 0.0249 0.0424 0.1124 127 ILE D CA 5369 C C . ILE D 157 ? 0.3744 0.6997 0.4116 0.0245 0.0477 0.1379 127 ILE D C 5370 O O . ILE D 157 ? 0.3682 0.6935 0.4138 0.0185 0.0539 0.1531 127 ILE D O 5371 C CB . ILE D 157 ? 0.3286 0.6350 0.3625 0.0313 0.0433 0.0865 127 ILE D CB 5372 C CG1 . ILE D 157 ? 0.3491 0.6848 0.3631 0.0405 0.0387 0.0752 127 ILE D CG1 5373 C CG2 . ILE D 157 ? 0.3334 0.6521 0.3690 0.0317 0.0523 0.0882 127 ILE D CG2 5374 C CD1 . ILE D 157 ? 0.4246 0.7447 0.4372 0.0412 0.0282 0.0572 127 ILE D CD1 5375 N N . LYS D 158 ? 0.3668 0.7187 0.3895 0.0301 0.0444 0.1433 128 LYS D N 5376 C CA . LYS D 158 ? 0.3945 0.7804 0.4079 0.0304 0.0482 0.1677 128 LYS D CA 5377 C C . LYS D 158 ? 0.4787 0.9045 0.4702 0.0408 0.0476 0.1551 128 LYS D C 5378 O O . LYS D 158 ? 0.4771 0.9031 0.4608 0.0458 0.0397 0.1435 128 LYS D O 5379 C CB . LYS D 158 ? 0.4336 0.8078 0.4527 0.0265 0.0428 0.1926 128 LYS D CB 5380 N N . VAL D 159 ? 0.4639 0.9246 0.4457 0.0446 0.0555 0.1551 129 VAL D N 5381 C CA . VAL D 159 ? 0.4878 0.9900 0.4472 0.0564 0.0553 0.1408 129 VAL D CA 5382 C C . VAL D 159 ? 0.5863 1.1352 0.5350 0.0567 0.0617 0.1677 129 VAL D C 5383 O O . VAL D 159 ? 0.5861 1.1429 0.5440 0.0494 0.0697 0.1880 129 VAL D O 5384 C CB . VAL D 159 ? 0.5345 1.0404 0.4893 0.0645 0.0578 0.1104 129 VAL D CB 5385 C CG1 . VAL D 159 ? 0.5510 1.0945 0.4817 0.0785 0.0549 0.0907 129 VAL D CG1 5386 C CG2 . VAL D 159 ? 0.5144 0.9719 0.4823 0.0614 0.0518 0.0887 129 VAL D CG2 5387 N N . ARG D 160 ? 0.5790 1.1601 0.5086 0.0643 0.0577 0.1689 130 ARG D N 5388 C CA . ARG D 160 ? 0.6000 1.2300 0.5167 0.0652 0.0627 0.1955 130 ARG D CA 5389 C C . ARG D 160 ? 0.6801 1.3600 0.5706 0.0798 0.0628 0.1777 130 ARG D C 5390 O O . ARG D 160 ? 0.6734 1.3455 0.5543 0.0883 0.0545 0.1494 130 ARG D O 5391 C CB . ARG D 160 ? 0.6057 1.2265 0.5252 0.0590 0.0563 0.2237 130 ARG D CB 5392 C CG . ARG D 160 ? 0.7537 1.3305 0.6971 0.0456 0.0556 0.2460 130 ARG D CG 5393 C CD . ARG D 160 ? 0.9407 1.5072 0.8852 0.0431 0.0473 0.2697 130 ARG D CD 5394 N NE . ARG D 160 ? 1.0938 1.6112 1.0608 0.0331 0.0440 0.2840 130 ARG D NE 5395 C CZ . ARG D 160 ? 1.3228 1.8307 1.2969 0.0261 0.0406 0.3170 130 ARG D CZ 5396 N NH1 . ARG D 160 ? 1.2063 1.7515 1.1670 0.0268 0.0404 0.3420 130 ARG D NH1 5397 N NH2 . ARG D 160 ? 1.1618 1.6224 1.1559 0.0187 0.0365 0.3252 130 ARG D NH2 5398 N N . TRP D 161 ? 0.6683 1.4002 0.5473 0.0826 0.0716 0.1936 131 TRP D N 5399 C CA . TRP D 161 ? 0.6948 1.4799 0.5470 0.0973 0.0717 0.1803 131 TRP D CA 5400 C C . TRP D 161 ? 0.7928 1.6122 0.6328 0.0955 0.0700 0.2109 131 TRP D C 5401 O O . TRP D 161 ? 0.7860 1.5971 0.6382 0.0828 0.0718 0.2464 131 TRP D O 5402 C CB . TRP D 161 ? 0.6819 1.5094 0.5269 0.1051 0.0827 0.1724 131 TRP D CB 5403 C CG . TRP D 161 ? 0.6844 1.4933 0.5293 0.1154 0.0811 0.1325 131 TRP D CG 5404 C CD1 . TRP D 161 ? 0.7054 1.4906 0.5671 0.1121 0.0863 0.1249 131 TRP D CD1 5405 C CD2 . TRP D 161 ? 0.6925 1.5045 0.5194 0.1308 0.0726 0.0947 131 TRP D CD2 5406 N NE1 . TRP D 161 ? 0.6987 1.4708 0.5544 0.1248 0.0817 0.0856 131 TRP D NE1 5407 C CE2 . TRP D 161 ? 0.7332 1.5201 0.5676 0.1362 0.0728 0.0661 131 TRP D CE2 5408 C CE3 . TRP D 161 ? 0.7253 1.5586 0.5306 0.1404 0.0639 0.0822 131 TRP D CE3 5409 C CZ2 . TRP D 161 ? 0.7339 1.5125 0.5554 0.1503 0.0640 0.0263 131 TRP D CZ2 5410 C CZ3 . TRP D 161 ? 0.7525 1.5790 0.5452 0.1538 0.0553 0.0422 131 TRP D CZ3 5411 C CH2 . TRP D 161 ? 0.7527 1.5507 0.5536 0.1585 0.0550 0.0145 131 TRP D CH2 5412 N N . PHE D 162 ? 0.7915 1.6432 0.6080 0.1081 0.0643 0.1955 132 PHE D N 5413 C CA . PHE D 162 ? 0.8218 1.7096 0.6234 0.1087 0.0614 0.2214 132 PHE D CA 5414 C C . PHE D 162 ? 0.9160 1.8666 0.6869 0.1252 0.0620 0.2050 132 PHE D C 5415 O O . PHE D 162 ? 0.9100 1.8580 0.6694 0.1376 0.0559 0.1658 132 PHE D O 5416 C CB . PHE D 162 ? 0.8426 1.6917 0.6498 0.1054 0.0483 0.2221 132 PHE D CB 5417 C CG . PHE D 162 ? 0.8517 1.6558 0.6834 0.0904 0.0470 0.2518 132 PHE D CG 5418 C CD1 . PHE D 162 ? 0.8667 1.6144 0.7208 0.0837 0.0455 0.2394 132 PHE D CD1 5419 C CD2 . PHE D 162 ? 0.8943 1.7115 0.7259 0.0841 0.0459 0.2911 132 PHE D CD2 5420 C CE1 . PHE D 162 ? 0.8687 1.5754 0.7440 0.0718 0.0433 0.2636 132 PHE D CE1 5421 C CE2 . PHE D 162 ? 0.9223 1.6951 0.7756 0.0721 0.0427 0.3159 132 PHE D CE2 5422 C CZ . PHE D 162 ? 0.8730 1.5908 0.7481 0.0665 0.0415 0.3011 132 PHE D CZ 5423 N N . ARG D 163 ? 0.9123 1.9181 0.6701 0.1250 0.0681 0.2356 133 ARG D N 5424 C CA . ARG D 163 ? 0.9451 2.0182 0.6720 0.1405 0.0690 0.2265 133 ARG D CA 5425 C C . ARG D 163 ? 1.0354 2.1269 0.7521 0.1376 0.0621 0.2551 133 ARG D C 5426 O O . ARG D 163 ? 1.0387 2.1346 0.7647 0.1249 0.0658 0.2975 133 ARG D O 5427 C CB . ARG D 163 ? 0.9560 2.0861 0.6772 0.1420 0.0840 0.2425 133 ARG D CB 5428 C CG . ARG D 163 ? 1.1138 2.3162 0.8035 0.1613 0.0872 0.2242 133 ARG D CG 5429 C CD . ARG D 163 ? 1.2498 2.5143 0.9360 0.1612 0.1030 0.2462 133 ARG D CD 5430 N NE . ARG D 163 ? 1.3804 2.6772 1.0672 0.1473 0.1074 0.2988 133 ARG D NE 5431 C CZ . ARG D 163 ? 1.5773 2.9496 1.2402 0.1538 0.1122 0.3173 133 ARG D CZ 5432 N NH1 . ARG D 163 ? 1.4173 2.8432 1.0523 0.1756 0.1134 0.2854 133 ARG D NH1 5433 N NH2 . ARG D 163 ? 1.4194 2.8134 1.0859 0.1385 0.1150 0.3681 133 ARG D NH2 5434 N N . ASN D 164 ? 1.0163 2.1193 0.7139 0.1489 0.0513 0.2333 134 ASN D N 5435 C CA . ASN D 164 ? 1.0322 2.1454 0.7228 0.1461 0.0430 0.2598 134 ASN D CA 5436 C C . ASN D 164 ? 1.0750 2.1210 0.7944 0.1312 0.0374 0.2781 134 ASN D C 5437 O O . ASN D 164 ? 1.0489 2.0438 0.7826 0.1300 0.0316 0.2518 134 ASN D O 5438 C CB . ASN D 164 ? 1.0545 2.2306 0.7313 0.1440 0.0512 0.3014 134 ASN D CB 5439 C CG . ASN D 164 ? 1.3187 2.5685 0.9641 0.1606 0.0556 0.2848 134 ASN D CG 5440 O OD1 . ASN D 164 ? 1.2327 2.4864 0.8644 0.1749 0.0508 0.2412 134 ASN D OD1 5441 N ND2 . ASN D 164 ? 1.2301 2.5396 0.8637 0.1585 0.0644 0.3202 134 ASN D ND2 5442 N N . ASP D 165 ? 1.0493 2.0957 0.7767 0.1205 0.0381 0.3226 135 ASP D N 5443 C CA . ASP D 165 ? 1.0340 2.0181 0.7895 0.1070 0.0343 0.3415 135 ASP D CA 5444 C C . ASP D 165 ? 1.0813 2.0568 0.8538 0.0940 0.0452 0.3672 135 ASP D C 5445 O O . ASP D 165 ? 1.0666 1.9961 0.8614 0.0820 0.0425 0.3894 135 ASP D O 5446 C CB . ASP D 165 ? 1.0736 2.0545 0.8286 0.1044 0.0244 0.3732 135 ASP D CB 5447 N N . GLN D 166 ? 1.0501 2.0727 0.8122 0.0965 0.0570 0.3661 136 GLN D N 5448 C CA . GLN D 166 ? 1.0451 2.0632 0.8248 0.0830 0.0674 0.3905 136 GLN D CA 5449 C C . GLN D 166 ? 1.0717 2.0333 0.8736 0.0792 0.0688 0.3641 136 GLN D C 5450 O O . GLN D 166 ? 1.0566 2.0061 0.8539 0.0899 0.0666 0.3231 136 GLN D O 5451 C CB . GLN D 166 ? 1.0774 2.1678 0.8405 0.0872 0.0801 0.3974 136 GLN D CB 5452 N N . GLU D 167 ? 1.0192 1.9439 0.8455 0.0635 0.0712 0.3881 137 GLU D N 5453 C CA . GLU D 167 ? 0.9916 1.8760 0.8378 0.0588 0.0755 0.3685 137 GLU D CA 5454 C C . GLU D 167 ? 1.0435 1.9758 0.8862 0.0587 0.0892 0.3702 137 GLU D C 5455 O O . GLU D 167 ? 1.0616 2.0536 0.8897 0.0593 0.0952 0.3928 137 GLU D O 5456 C CB . GLU D 167 ? 0.9989 1.8242 0.8721 0.0427 0.0712 0.3918 137 GLU D CB 5457 N N . GLU D 168 ? 0.9743 1.8838 0.8302 0.0585 0.0942 0.3470 138 GLU D N 5458 C CA . GLU D 168 ? 0.9703 1.9227 0.8267 0.0579 0.1072 0.3501 138 GLU D CA 5459 C C . GLU D 168 ? 0.9927 1.9024 0.8767 0.0452 0.1108 0.3516 138 GLU D C 5460 O O . GLU D 168 ? 0.9688 1.8164 0.8677 0.0416 0.1037 0.3381 138 GLU D O 5461 C CB . GLU D 168 ? 0.9897 1.9793 0.8252 0.0786 0.1105 0.3100 138 GLU D CB 5462 N N . THR D 169 ? 0.9475 1.8927 0.8390 0.0373 0.1216 0.3710 139 THR D N 5463 C CA . THR D 169 ? 0.9235 1.8420 0.8374 0.0292 0.1265 0.3647 139 THR D CA 5464 C C . THR D 169 ? 0.9650 1.9384 0.8741 0.0379 0.1389 0.3517 139 THR D C 5465 O O . THR D 169 ? 0.9413 1.8935 0.8620 0.0409 0.1415 0.3281 139 THR D O 5466 C CB . THR D 169 ? 1.0282 1.9195 0.9660 0.0056 0.1253 0.4050 139 THR D CB 5467 N N . THR D 170 ? 0.9368 1.9829 0.8293 0.0423 0.1466 0.3682 140 THR D N 5468 C CA . THR D 170 ? 0.9349 2.0422 0.8239 0.0500 0.1594 0.3617 140 THR D CA 5469 C C . THR D 170 ? 0.9677 2.0818 0.8442 0.0741 0.1607 0.3119 140 THR D C 5470 O O . THR D 170 ? 0.9551 2.0788 0.8411 0.0782 0.1675 0.2976 140 THR D O 5471 C CB . THR D 170 ? 1.0553 2.2471 0.9258 0.0517 0.1673 0.3893 140 THR D CB 5472 N N . GLY D 171 ? 0.9173 2.0255 0.7727 0.0902 0.1530 0.2851 141 GLY D N 5473 C CA . GLY D 171 ? 0.9091 2.0333 0.7482 0.1145 0.1532 0.2392 141 GLY D CA 5474 C C . GLY D 171 ? 0.9132 1.9651 0.7656 0.1170 0.1452 0.2061 141 GLY D C 5475 O O . GLY D 171 ? 0.9105 1.9598 0.7512 0.1360 0.1419 0.1659 141 GLY D O 5476 N N . VAL D 172 ? 0.8315 1.8244 0.7076 0.0976 0.1412 0.2235 142 VAL D N 5477 C CA . VAL D 172 ? 0.7987 1.7189 0.6876 0.0969 0.1322 0.1973 142 VAL D CA 5478 C C . VAL D 172 ? 0.8082 1.6968 0.7223 0.0879 0.1363 0.1964 142 VAL D C 5479 O O . VAL D 172 ? 0.7941 1.6713 0.7275 0.0693 0.1395 0.2273 142 VAL D O 5480 C CB . VAL D 172 ? 0.8401 1.7118 0.7345 0.0844 0.1219 0.2124 142 VAL D CB 5481 C CG1 . VAL D 172 ? 0.8331 1.6941 0.7476 0.0625 0.1251 0.2551 142 VAL D CG1 5482 C CG2 . VAL D 172 ? 0.8192 1.6247 0.7219 0.0863 0.1119 0.1825 142 VAL D CG2 5483 N N . VAL D 173 ? 0.7400 1.6111 0.6534 0.1016 0.1344 0.1594 143 VAL D N 5484 C CA . VAL D 173 ? 0.7081 1.5511 0.6423 0.0976 0.1373 0.1512 143 VAL D CA 5485 C C . VAL D 173 ? 0.7184 1.4950 0.6568 0.1014 0.1261 0.1199 143 VAL D C 5486 O O . VAL D 173 ? 0.7236 1.4992 0.6466 0.1188 0.1206 0.0863 143 VAL D O 5487 C CB . VAL D 173 ? 0.7616 1.6588 0.6915 0.1122 0.1473 0.1388 143 VAL D CB 5488 N N . SER D 174 ? 0.6301 1.3519 0.5891 0.0847 0.1221 0.1314 144 SER D N 5489 C CA . SER D 174 ? 0.6012 1.2616 0.5665 0.0853 0.1121 0.1069 144 SER D CA 5490 C C . SER D 174 ? 0.5977 1.2343 0.5791 0.0856 0.1141 0.0928 144 SER D C 5491 O O . SER D 174 ? 0.5832 1.2298 0.5801 0.0759 0.1217 0.1120 144 SER D O 5492 C CB . SER D 174 ? 0.6334 1.2493 0.6099 0.0690 0.1056 0.1258 144 SER D CB 5493 O OG . SER D 174 ? 0.7279 1.2877 0.7130 0.0676 0.0970 0.1054 144 SER D OG 5494 N N . THR D 175 ? 0.5198 1.1230 0.4980 0.0956 0.1063 0.0601 145 THR D N 5495 C CA . THR D 175 ? 0.4890 1.0615 0.4817 0.0963 0.1057 0.0448 145 THR D CA 5496 C C . THR D 175 ? 0.4928 1.0145 0.5056 0.0776 0.1024 0.0600 145 THR D C 5497 O O . THR D 175 ? 0.4895 0.9913 0.5006 0.0699 0.0969 0.0691 145 THR D O 5498 C CB . THR D 175 ? 0.5786 1.1287 0.5605 0.1122 0.0963 0.0066 145 THR D CB 5499 O OG1 . THR D 175 ? 0.5578 1.0663 0.5376 0.1063 0.0853 -0.0001 145 THR D OG1 5500 C CG2 . THR D 175 ? 0.5976 1.1945 0.5576 0.1334 0.0975 -0.0132 145 THR D CG2 5501 N N . PRO D 176 ? 0.4091 0.9079 0.4403 0.0712 0.1046 0.0608 146 PRO D N 5502 C CA . PRO D 176 ? 0.3796 0.8285 0.4279 0.0551 0.1001 0.0714 146 PRO D CA 5503 C C . PRO D 176 ? 0.4005 0.8062 0.4447 0.0576 0.0891 0.0502 146 PRO D C 5504 O O . PRO D 176 ? 0.4032 0.8142 0.4329 0.0710 0.0843 0.0263 146 PRO D O 5505 C CB . PRO D 176 ? 0.3903 0.8307 0.4559 0.0513 0.1044 0.0715 146 PRO D CB 5506 C CG . PRO D 176 ? 0.4577 0.9279 0.5143 0.0689 0.1074 0.0502 146 PRO D CG 5507 C CD . PRO D 176 ? 0.4224 0.9399 0.4594 0.0794 0.1104 0.0508 146 PRO D CD 5508 N N . LEU D 177 ? 0.3265 0.6911 0.3833 0.0449 0.0845 0.0585 147 LEU D N 5509 C CA . LEU D 177 ? 0.3049 0.6312 0.3603 0.0451 0.0745 0.0411 147 LEU D CA 5510 C C . LEU D 177 ? 0.3365 0.6452 0.3935 0.0527 0.0712 0.0159 147 LEU D C 5511 O O . LEU D 177 ? 0.3272 0.6316 0.3958 0.0508 0.0756 0.0178 147 LEU D O 5512 C CB . LEU D 177 ? 0.2883 0.5797 0.3584 0.0312 0.0716 0.0559 147 LEU D CB 5513 C CG . LEU D 177 ? 0.3379 0.5948 0.4087 0.0294 0.0621 0.0424 147 LEU D CG 5514 C CD1 . LEU D 177 ? 0.3489 0.6165 0.4078 0.0315 0.0571 0.0449 147 LEU D CD1 5515 C CD2 . LEU D 177 ? 0.3472 0.5708 0.4351 0.0181 0.0610 0.0523 147 LEU D CD2 5516 N N . ILE D 178 ? 0.2817 0.5823 0.3264 0.0617 0.0628 -0.0072 148 ILE D N 5517 C CA . ILE D 178 ? 0.2719 0.5533 0.3161 0.0699 0.0572 -0.0321 148 ILE D CA 5518 C C . ILE D 178 ? 0.2934 0.5288 0.3470 0.0604 0.0484 -0.0380 148 ILE D C 5519 O O . ILE D 178 ? 0.2970 0.5218 0.3468 0.0557 0.0419 -0.0383 148 ILE D O 5520 C CB . ILE D 178 ? 0.3302 0.6317 0.3546 0.0868 0.0521 -0.0557 148 ILE D CB 5521 C CG1 . ILE D 178 ? 0.3475 0.7030 0.3608 0.0975 0.0618 -0.0495 148 ILE D CG1 5522 C CG2 . ILE D 178 ? 0.3394 0.6153 0.3633 0.0959 0.0440 -0.0821 148 ILE D CG2 5523 C CD1 . ILE D 178 ? 0.4593 0.8377 0.4804 0.1031 0.0716 -0.0458 148 ILE D CD1 5524 N N . ARG D 179 ? 0.2191 0.4303 0.2848 0.0579 0.0480 -0.0423 149 ARG D N 5525 C CA . ARG D 179 ? 0.1919 0.3624 0.2670 0.0490 0.0401 -0.0475 149 ARG D CA 5526 C C . ARG D 179 ? 0.2486 0.4019 0.3163 0.0578 0.0298 -0.0728 149 ARG D C 5527 O O . ARG D 179 ? 0.2478 0.4017 0.3159 0.0670 0.0304 -0.0831 149 ARG D O 5528 C CB . ARG D 179 ? 0.1291 0.2840 0.2216 0.0404 0.0453 -0.0356 149 ARG D CB 5529 C CG . ARG D 179 ? 0.2045 0.3221 0.3065 0.0304 0.0382 -0.0378 149 ARG D CG 5530 C CD . ARG D 179 ? 0.2700 0.3735 0.3875 0.0232 0.0426 -0.0282 149 ARG D CD 5531 N NE . ARG D 179 ? 0.2583 0.3727 0.3833 0.0157 0.0502 -0.0077 149 ARG D NE 5532 C CZ . ARG D 179 ? 0.3532 0.4557 0.4835 0.0066 0.0491 0.0030 149 ARG D CZ 5533 N NH1 . ARG D 179 ? 0.1612 0.2452 0.2908 0.0032 0.0417 -0.0039 149 ARG D NH1 5534 N NH2 . ARG D 179 ? 0.1942 0.3040 0.3309 0.0011 0.0546 0.0207 149 ARG D NH2 5535 N N . ASN D 180 ? 0.2105 0.3488 0.2719 0.0551 0.0193 -0.0826 150 ASN D N 5536 C CA . ASN D 180 ? 0.2270 0.3446 0.2815 0.0615 0.0068 -0.1064 150 ASN D CA 5537 C C . ASN D 180 ? 0.2793 0.3593 0.3469 0.0540 0.0012 -0.1089 150 ASN D C 5538 O O . ASN D 180 ? 0.2871 0.3488 0.3516 0.0612 -0.0076 -0.1266 150 ASN D O 5539 C CB . ASN D 180 ? 0.2182 0.3333 0.2629 0.0589 -0.0035 -0.1147 150 ASN D CB 5540 C CG . ASN D 180 ? 0.2838 0.4355 0.3123 0.0686 -0.0006 -0.1166 150 ASN D CG 5541 O OD1 . ASN D 180 ? 0.1333 0.3110 0.1533 0.0820 0.0053 -0.1215 150 ASN D OD1 5542 N ND2 . ASN D 180 ? 0.1927 0.3500 0.2167 0.0625 -0.0051 -0.1128 150 ASN D ND2 5543 N N . GLY D 181 ? 0.2237 0.2929 0.3051 0.0404 0.0056 -0.0915 151 GLY D N 5544 C CA . GLY D 181 ? 0.2153 0.2535 0.3094 0.0318 0.0017 -0.0901 151 GLY D CA 5545 C C . GLY D 181 ? 0.2669 0.2804 0.3636 0.0206 -0.0098 -0.0937 151 GLY D C 5546 O O . GLY D 181 ? 0.2508 0.2417 0.3583 0.0116 -0.0127 -0.0897 151 GLY D O 5547 N N . ASP D 182 ? 0.2298 0.2496 0.3167 0.0208 -0.0169 -0.1012 152 ASP D N 5548 C CA . ASP D 182 ? 0.2259 0.2276 0.3155 0.0089 -0.0285 -0.1039 152 ASP D CA 5549 C C . ASP D 182 ? 0.2419 0.2603 0.3352 0.0002 -0.0239 -0.0888 152 ASP D C 5550 O O . ASP D 182 ? 0.2540 0.2727 0.3451 -0.0060 -0.0323 -0.0919 152 ASP D O 5551 C CB . ASP D 182 ? 0.2780 0.2720 0.3551 0.0147 -0.0425 -0.1250 152 ASP D CB 5552 C CG . ASP D 182 ? 0.4110 0.4337 0.4720 0.0275 -0.0405 -0.1334 152 ASP D CG 5553 O OD1 . ASP D 182 ? 0.3853 0.4356 0.4451 0.0289 -0.0291 -0.1196 152 ASP D OD1 5554 O OD2 . ASP D 182 ? 0.5383 0.5556 0.5875 0.0364 -0.0511 -0.1537 152 ASP D OD2 5555 N N . TRP D 183 ? 0.1559 0.1878 0.2553 0.0002 -0.0113 -0.0726 153 TRP D N 5556 C CA . TRP D 183 ? 0.1349 0.1809 0.2388 -0.0054 -0.0058 -0.0568 153 TRP D CA 5557 C C . TRP D 183 ? 0.1921 0.2632 0.2839 0.0007 -0.0058 -0.0570 153 TRP D C 5558 O O . TRP D 183 ? 0.1943 0.2743 0.2878 -0.0039 -0.0070 -0.0490 153 TRP D O 5559 C CB . TRP D 183 ? 0.1108 0.1437 0.2252 -0.0180 -0.0116 -0.0525 153 TRP D CB 5560 C CG . TRP D 183 ? 0.1093 0.1235 0.2358 -0.0243 -0.0093 -0.0476 153 TRP D CG 5561 C CD1 . TRP D 183 ? 0.1528 0.1456 0.2819 -0.0267 -0.0151 -0.0558 153 TRP D CD1 5562 C CD2 . TRP D 183 ? 0.0886 0.1040 0.2257 -0.0284 -0.0014 -0.0334 153 TRP D CD2 5563 N NE1 . TRP D 183 ? 0.1310 0.1141 0.2714 -0.0324 -0.0107 -0.0467 153 TRP D NE1 5564 C CE2 . TRP D 183 ? 0.1329 0.1297 0.2783 -0.0335 -0.0023 -0.0338 153 TRP D CE2 5565 C CE3 . TRP D 183 ? 0.0956 0.1248 0.2358 -0.0277 0.0055 -0.0207 153 TRP D CE3 5566 C CZ2 . TRP D 183 ? 0.1104 0.1044 0.2660 -0.0376 0.0038 -0.0231 153 TRP D CZ2 5567 C CZ3 . TRP D 183 ? 0.1014 0.1246 0.2523 -0.0315 0.0106 -0.0110 153 TRP D CZ3 5568 C CH2 . TRP D 183 ? 0.1054 0.1125 0.2635 -0.0361 0.0102 -0.0128 153 TRP D CH2 5569 N N . THR D 184 ? 0.1510 0.2360 0.2305 0.0121 -0.0044 -0.0659 154 THR D N 5570 C CA . THR D 184 ? 0.1542 0.2679 0.2204 0.0195 -0.0030 -0.0652 154 THR D CA 5571 C C . THR D 184 ? 0.1959 0.3309 0.2569 0.0293 0.0076 -0.0601 154 THR D C 5572 O O . THR D 184 ? 0.1887 0.3163 0.2532 0.0331 0.0109 -0.0647 154 THR D O 5573 C CB . THR D 184 ? 0.2745 0.3906 0.3272 0.0238 -0.0151 -0.0846 154 THR D CB 5574 O OG1 . THR D 184 ? 0.2760 0.3831 0.3218 0.0329 -0.0193 -0.1032 154 THR D OG1 5575 C CG2 . THR D 184 ? 0.2365 0.3370 0.2951 0.0122 -0.0262 -0.0875 154 THR D CG2 5576 N N . PHE D 185 ? 0.1559 0.3192 0.2091 0.0330 0.0128 -0.0494 155 PHE D N 5577 C CA . PHE D 185 ? 0.1605 0.3518 0.2078 0.0411 0.0228 -0.0417 155 PHE D CA 5578 C C . PHE D 185 ? 0.2401 0.4619 0.2683 0.0517 0.0205 -0.0503 155 PHE D C 5579 O O . PHE D 185 ? 0.2332 0.4553 0.2541 0.0510 0.0118 -0.0573 155 PHE D O 5580 C CB . PHE D 185 ? 0.1694 0.3686 0.2261 0.0341 0.0318 -0.0154 155 PHE D CB 5581 C CG . PHE D 185 ? 0.1704 0.3437 0.2449 0.0249 0.0349 -0.0068 155 PHE D CG 5582 C CD1 . PHE D 185 ? 0.1990 0.3714 0.2800 0.0261 0.0413 -0.0055 155 PHE D CD1 5583 C CD2 . PHE D 185 ? 0.1867 0.3395 0.2713 0.0159 0.0312 -0.0002 155 PHE D CD2 5584 C CE1 . PHE D 185 ? 0.1964 0.3461 0.2930 0.0178 0.0434 0.0017 155 PHE D CE1 5585 C CE2 . PHE D 185 ? 0.2056 0.3365 0.3052 0.0086 0.0338 0.0063 155 PHE D CE2 5586 C CZ . PHE D 185 ? 0.1732 0.3020 0.2783 0.0094 0.0397 0.0072 155 PHE D CZ 5587 N N . GLN D 186 ? 0.2196 0.4702 0.2399 0.0616 0.0281 -0.0495 156 GLN D N 5588 C CA . GLN D 186 ? 0.2374 0.5248 0.2384 0.0731 0.0281 -0.0554 156 GLN D CA 5589 C C . GLN D 186 ? 0.2969 0.6205 0.2968 0.0762 0.0412 -0.0363 156 GLN D C 5590 O O . GLN D 186 ? 0.2832 0.6015 0.2961 0.0720 0.0487 -0.0258 156 GLN D O 5591 C CB . GLN D 186 ? 0.2724 0.5586 0.2599 0.0864 0.0195 -0.0860 156 GLN D CB 5592 C CG . GLN D 186 ? 0.3539 0.6458 0.3420 0.0972 0.0247 -0.0961 156 GLN D CG 5593 C CD . GLN D 186 ? 0.5628 0.8504 0.5373 0.1121 0.0145 -0.1276 156 GLN D CD 5594 O OE1 . GLN D 186 ? 0.4931 0.7481 0.4741 0.1134 0.0078 -0.1425 156 GLN D OE1 5595 N NE2 . GLN D 186 ? 0.4936 0.8139 0.4484 0.1246 0.0125 -0.1385 156 GLN D NE2 5596 N N . ILE D 187 ? 0.2750 0.6363 0.2601 0.0820 0.0434 -0.0299 157 ILE D N 5597 C CA . ILE D 187 ? 0.2795 0.6815 0.2618 0.0844 0.0553 -0.0102 157 ILE D CA 5598 C C . ILE D 187 ? 0.3637 0.8091 0.3228 0.0992 0.0546 -0.0216 157 ILE D C 5599 O O . ILE D 187 ? 0.3742 0.8182 0.3213 0.1024 0.0454 -0.0334 157 ILE D O 5600 C CB . ILE D 187 ? 0.3039 0.7050 0.2973 0.0704 0.0602 0.0229 157 ILE D CB 5601 C CG1 . ILE D 187 ? 0.3066 0.7387 0.3048 0.0680 0.0722 0.0454 157 ILE D CG1 5602 C CG2 . ILE D 187 ? 0.3209 0.7320 0.3043 0.0690 0.0548 0.0316 157 ILE D CG2 5603 C CD1 . ILE D 187 ? 0.3708 0.7799 0.3890 0.0524 0.0757 0.0707 157 ILE D CD1 5604 N N . LEU D 188 ? 0.3378 0.8227 0.2907 0.1090 0.0638 -0.0206 158 LEU D N 5605 C CA . LEU D 188 ? 0.3632 0.8960 0.2930 0.1248 0.0645 -0.0314 158 LEU D CA 5606 C C . LEU D 188 ? 0.4261 1.0067 0.3537 0.1213 0.0763 -0.0007 158 LEU D C 5607 O O . LEU D 188 ? 0.4044 1.0022 0.3421 0.1188 0.0865 0.0131 158 LEU D O 5608 C CB . LEU D 188 ? 0.3775 0.9215 0.2984 0.1433 0.0635 -0.0615 158 LEU D CB 5609 C CG . LEU D 188 ? 0.4407 0.9350 0.3655 0.1470 0.0513 -0.0916 158 LEU D CG 5610 C CD1 . LEU D 188 ? 0.4672 0.9776 0.3829 0.1674 0.0511 -0.1183 158 LEU D CD1 5611 C CD2 . LEU D 188 ? 0.4691 0.9405 0.3836 0.1460 0.0369 -0.1075 158 LEU D CD2 5612 N N . VAL D 189 ? 0.4191 1.0205 0.3347 0.1196 0.0742 0.0119 159 VAL D N 5613 C CA . VAL D 189 ? 0.4325 1.0784 0.3450 0.1147 0.0837 0.0444 159 VAL D CA 5614 C C . VAL D 189 ? 0.5314 1.2371 0.4178 0.1320 0.0859 0.0342 159 VAL D C 5615 O O . VAL D 189 ? 0.5358 1.2493 0.4053 0.1379 0.0779 0.0244 159 VAL D O 5616 C CB . VAL D 189 ? 0.4717 1.0959 0.3914 0.0996 0.0796 0.0705 159 VAL D CB 5617 C CG1 . VAL D 189 ? 0.4763 1.1428 0.3931 0.0934 0.0877 0.1065 159 VAL D CG1 5618 C CG2 . VAL D 189 ? 0.4452 1.0134 0.3894 0.0852 0.0775 0.0770 159 VAL D CG2 5619 N N . MET D 190 ? 0.5210 1.2702 0.4045 0.1405 0.0964 0.0351 160 MET D N 5620 C CA . MET D 190 ? 0.5568 1.3701 0.4166 0.1589 0.1008 0.0248 160 MET D CA 5621 C C . MET D 190 ? 0.6236 1.4894 0.4752 0.1526 0.1085 0.0602 160 MET D C 5622 O O . MET D 190 ? 0.6096 1.4760 0.4778 0.1357 0.1156 0.0951 160 MET D O 5623 C CB . MET D 190 ? 0.5933 1.4339 0.4560 0.1712 0.1096 0.0119 160 MET D CB 5624 C CG . MET D 190 ? 0.6477 1.4491 0.5112 0.1842 0.1010 -0.0282 160 MET D CG 5625 S SD . MET D 190 ? 0.6779 1.4068 0.5725 0.1671 0.0985 -0.0244 160 MET D SD 5626 C CE . MET D 190 ? 0.6463 1.3627 0.5374 0.1891 0.0935 -0.0673 160 MET D CE 5627 N N . LEU D 191 ? 0.6077 1.5181 0.4334 0.1664 0.1063 0.0511 161 LEU D N 5628 C CA . LEU D 191 ? 0.6204 1.5882 0.4336 0.1635 0.1128 0.0823 161 LEU D CA 5629 C C . LEU D 191 ? 0.6967 1.7365 0.4840 0.1859 0.1182 0.0651 161 LEU D C 5630 O O . LEU D 191 ? 0.7030 1.7422 0.4719 0.2042 0.1096 0.0276 161 LEU D O 5631 C CB . LEU D 191 ? 0.6225 1.5710 0.4289 0.1559 0.1027 0.0934 161 LEU D CB 5632 C CG . LEU D 191 ? 0.6931 1.6977 0.4850 0.1530 0.1072 0.1265 161 LEU D CG 5633 C CD1 . LEU D 191 ? 0.6825 1.6771 0.4951 0.1305 0.1129 0.1734 161 LEU D CD1 5634 C CD2 . LEU D 191 ? 0.7263 1.7270 0.5004 0.1580 0.0951 0.1173 161 LEU D CD2 5635 N N . GLU D 192 ? 0.6652 1.7675 0.4514 0.1842 0.1319 0.0926 162 GLU D N 5636 C CA . GLU D 192 ? 0.6902 1.8709 0.4526 0.2051 0.1393 0.0813 162 GLU D CA 5637 C C . GLU D 192 ? 0.7631 1.9924 0.5028 0.2060 0.1387 0.1004 162 GLU D C 5638 O O . GLU D 192 ? 0.7503 1.9703 0.4985 0.1863 0.1387 0.1384 162 GLU D O 5639 C CB . GLU D 192 ? 0.7035 1.9318 0.4780 0.2027 0.1551 0.1011 162 GLU D CB 5640 N N . MET D 193 ? 0.7521 2.0329 0.4627 0.2297 0.1374 0.0736 163 MET D N 5641 C CA . MET D 193 ? 1.2353 2.5692 0.9206 0.2339 0.1364 0.0876 163 MET D CA 5642 C C . MET D 193 ? 1.7414 3.1504 1.4257 0.2262 0.1521 0.1315 163 MET D C 5643 O O . MET D 193 ? 1.2846 2.7464 0.9673 0.2364 0.1639 0.1285 163 MET D O 5644 C CB . MET D 193 ? 1.2929 2.6589 0.9462 0.2628 0.1292 0.0421 163 MET D CB 5645 C CG . MET D 193 ? 1.3345 2.6299 0.9875 0.2708 0.1123 -0.0030 163 MET D CG 5646 S SD . MET D 193 ? 1.3634 2.5770 1.0322 0.2475 0.0980 0.0100 163 MET D SD 5647 C CE . MET D 193 ? 1.3424 2.5303 0.9892 0.2669 0.0786 -0.0451 163 MET D CE 5648 N N . ASP D 199 ? 1.0769 2.4306 0.6266 0.2445 0.0387 0.0831 169 ASP D N 5649 C CA . ASP D 199 ? 1.0452 2.3401 0.6270 0.2226 0.0396 0.1145 169 ASP D CA 5650 C C . ASP D 199 ? 1.0591 2.2794 0.6627 0.2183 0.0329 0.0834 169 ASP D C 5651 O O . ASP D 199 ? 1.0537 2.2686 0.6525 0.2302 0.0325 0.0453 169 ASP D O 5652 C CB . ASP D 199 ? 1.0627 2.3774 0.6584 0.2113 0.0566 0.1565 169 ASP D CB 5653 C CG . ASP D 199 ? 1.2089 2.5727 0.7938 0.2243 0.0695 0.1422 169 ASP D CG 5654 O OD1 . ASP D 199 ? 1.2298 2.6101 0.7957 0.2438 0.0650 0.0981 169 ASP D OD1 5655 O OD2 . ASP D 199 ? 1.2796 2.6645 0.8761 0.2149 0.0835 0.1749 169 ASP D OD2 5656 N N . VAL D 200 ? 0.9886 2.1515 0.6159 0.2022 0.0269 0.0990 170 VAL D N 5657 C CA . VAL D 200 ? 0.9588 2.0524 0.6086 0.1964 0.0216 0.0738 170 VAL D CA 5658 C C . VAL D 200 ? 0.9664 2.0251 0.6439 0.1830 0.0328 0.0946 170 VAL D C 5659 O O . VAL D 200 ? 0.9527 2.0198 0.6407 0.1716 0.0414 0.1357 170 VAL D O 5660 C CB . VAL D 200 ? 0.9998 2.0444 0.6591 0.1897 0.0055 0.0618 170 VAL D CB 5661 C CG1 . VAL D 200 ? 1.0172 2.0685 0.6564 0.2034 -0.0084 0.0166 170 VAL D CG1 5662 C CG2 . VAL D 200 ? 0.9972 2.0459 0.6609 0.1801 0.0024 0.0998 170 VAL D CG2 5663 N N . TYR D 201 ? 0.9011 1.9187 0.5899 0.1847 0.0309 0.0633 171 TYR D N 5664 C CA . TYR D 201 ? 0.8689 1.8496 0.5828 0.1747 0.0397 0.0714 171 TYR D CA 5665 C C . TYR D 201 ? 0.8644 1.7751 0.5997 0.1638 0.0294 0.0612 171 TYR D C 5666 O O . TYR D 201 ? 0.8599 1.7451 0.5921 0.1693 0.0185 0.0257 171 TYR D O 5667 C CB . TYR D 201 ? 0.8967 1.8922 0.6031 0.1886 0.0450 0.0402 171 TYR D CB 5668 C CG . TYR D 201 ? 0.9505 2.0225 0.6344 0.2018 0.0557 0.0473 171 TYR D CG 5669 C CD1 . TYR D 201 ? 0.9834 2.0983 0.6643 0.1943 0.0644 0.0902 171 TYR D CD1 5670 C CD2 . TYR D 201 ? 0.9797 2.0814 0.6456 0.2219 0.0565 0.0115 171 TYR D CD2 5671 C CE1 . TYR D 201 ? 1.0172 2.2062 0.6781 0.2051 0.0748 0.0994 171 TYR D CE1 5672 C CE2 . TYR D 201 ? 1.0139 2.1906 0.6593 0.2349 0.0670 0.0181 171 TYR D CE2 5673 C CZ . TYR D 201 ? 1.1154 2.3373 0.7584 0.2257 0.0766 0.0631 171 TYR D CZ 5674 O OH . TYR D 201 ? 1.1543 2.4558 0.7776 0.2368 0.0877 0.0739 171 TYR D OH 5675 N N . THR D 202 ? 0.7797 1.6612 0.5365 0.1482 0.0323 0.0937 172 THR D N 5676 C CA . THR D 202 ? 0.7423 1.5612 0.5214 0.1372 0.0242 0.0893 172 THR D CA 5677 C C . THR D 202 ? 0.7343 1.5122 0.5391 0.1264 0.0322 0.0975 172 THR D C 5678 O O . THR D 202 ? 0.7255 1.5200 0.5361 0.1216 0.0436 0.1235 172 THR D O 5679 C CB . THR D 202 ? 0.8286 1.6431 0.6116 0.1297 0.0180 0.1169 172 THR D CB 5680 N N . CYS D 203 ? 0.6495 1.3751 0.4698 0.1220 0.0255 0.0759 173 CYS D N 5681 C CA . CYS D 203 ? 0.6134 1.2945 0.4584 0.1118 0.0307 0.0796 173 CYS D CA 5682 C C . CYS D 203 ? 0.6360 1.2724 0.5002 0.1001 0.0238 0.0912 173 CYS D C 5683 O O . CYS D 203 ? 0.6290 1.2447 0.4936 0.1005 0.0128 0.0716 173 CYS D O 5684 C CB . CYS D 203 ? 0.6102 1.2715 0.4563 0.1178 0.0293 0.0440 173 CYS D CB 5685 S SG . CYS D 203 ? 0.6303 1.2492 0.5034 0.1075 0.0378 0.0497 173 CYS D SG 5686 N N . HIS D 204 ? 0.5735 1.1972 0.4534 0.0899 0.0298 0.1234 174 HIS D N 5687 C CA . HIS D 204 ? 0.5527 1.1379 0.4510 0.0804 0.0245 0.1388 174 HIS D CA 5688 C C . HIS D 204 ? 0.5409 1.0786 0.4620 0.0720 0.0273 0.1325 174 HIS D C 5689 O O . HIS D 204 ? 0.5346 1.0678 0.4657 0.0663 0.0361 0.1484 174 HIS D O 5690 C CB . HIS D 204 ? 0.5805 1.1818 0.4799 0.0758 0.0278 0.1782 174 HIS D CB 5691 C CG . HIS D 204 ? 0.6258 1.1961 0.5390 0.0704 0.0203 0.1940 174 HIS D CG 5692 N ND1 . HIS D 204 ? 0.6640 1.2500 0.5675 0.0754 0.0114 0.1993 174 HIS D ND1 5693 C CD2 . HIS D 204 ? 0.6364 1.1638 0.5716 0.0619 0.0202 0.2048 174 HIS D CD2 5694 C CE1 . HIS D 204 ? 0.6498 1.2020 0.5702 0.0706 0.0064 0.2130 174 HIS D CE1 5695 N NE2 . HIS D 204 ? 0.6375 1.1535 0.5770 0.0627 0.0114 0.2161 174 HIS D NE2 5696 N N . VAL D 205 ? 0.4438 0.9484 0.3732 0.0707 0.0193 0.1100 175 VAL D N 5697 C CA . VAL D 205 ? 0.3977 0.8594 0.3467 0.0637 0.0209 0.1007 175 VAL D CA 5698 C C . VAL D 205 ? 0.3945 0.8220 0.3608 0.0567 0.0150 0.1093 175 VAL D C 5699 O O . VAL D 205 ? 0.3831 0.8107 0.3468 0.0585 0.0059 0.1019 175 VAL D O 5700 C CB . VAL D 205 ? 0.4423 0.8947 0.3868 0.0679 0.0171 0.0657 175 VAL D CB 5701 C CG1 . VAL D 205 ? 0.4165 0.8253 0.3808 0.0602 0.0178 0.0570 175 VAL D CG1 5702 C CG2 . VAL D 205 ? 0.4529 0.9381 0.3813 0.0771 0.0232 0.0556 175 VAL D CG2 5703 N N . GLU D 206 ? 0.3194 0.7191 0.3036 0.0492 0.0200 0.1234 176 GLU D N 5704 C CA . GLU D 206 ? 0.2939 0.6597 0.2957 0.0439 0.0156 0.1304 176 GLU D CA 5705 C C . GLU D 206 ? 0.3032 0.6349 0.3204 0.0382 0.0179 0.1163 176 GLU D C 5706 O O . GLU D 206 ? 0.2923 0.6219 0.3114 0.0361 0.0251 0.1142 176 GLU D O 5707 C CB . GLU D 206 ? 0.3171 0.6795 0.3257 0.0410 0.0176 0.1619 176 GLU D CB 5708 C CG . GLU D 206 ? 0.4728 0.8453 0.4771 0.0455 0.0096 0.1744 176 GLU D CG 5709 C CD . GLU D 206 ? 0.7954 1.1726 0.8008 0.0442 0.0104 0.2074 176 GLU D CD 5710 O OE1 . GLU D 206 ? 0.7534 1.1041 0.7731 0.0379 0.0132 0.2212 176 GLU D OE1 5711 O OE2 . GLU D 206 ? 0.7524 1.1590 0.7442 0.0491 0.0073 0.2198 176 GLU D OE2 5712 N N . HIS D 207 ? 0.2314 0.5392 0.2596 0.0358 0.0117 0.1072 177 HIS D N 5713 C CA . HIS D 207 ? 0.2012 0.4784 0.2434 0.0303 0.0125 0.0936 177 HIS D CA 5714 C C . HIS D 207 ? 0.2503 0.5067 0.3067 0.0280 0.0070 0.0964 177 HIS D C 5715 O O . HIS D 207 ? 0.2551 0.5238 0.3081 0.0315 0.0003 0.0982 177 HIS D O 5716 C CB . HIS D 207 ? 0.2017 0.4815 0.2364 0.0313 0.0094 0.0667 177 HIS D CB 5717 C CG . HIS D 207 ? 0.2237 0.4739 0.2712 0.0255 0.0097 0.0533 177 HIS D CG 5718 N ND1 . HIS D 207 ? 0.2357 0.4709 0.2913 0.0213 0.0025 0.0424 177 HIS D ND1 5719 C CD2 . HIS D 207 ? 0.2305 0.4663 0.2842 0.0229 0.0162 0.0511 177 HIS D CD2 5720 C CE1 . HIS D 207 ? 0.2134 0.4250 0.2790 0.0163 0.0049 0.0345 177 HIS D CE1 5721 N NE2 . HIS D 207 ? 0.2145 0.4249 0.2794 0.0175 0.0129 0.0390 177 HIS D NE2 5722 N N . PRO D 208 ? 0.1938 0.4216 0.2658 0.0230 0.0094 0.0956 178 PRO D N 5723 C CA . PRO D 208 ? 0.1844 0.3967 0.2692 0.0225 0.0045 0.0968 178 PRO D CA 5724 C C . PRO D 208 ? 0.2334 0.4544 0.3178 0.0227 -0.0032 0.0819 178 PRO D C 5725 O O . PRO D 208 ? 0.2167 0.4368 0.3090 0.0248 -0.0078 0.0863 178 PRO D O 5726 C CB . PRO D 208 ? 0.1939 0.3788 0.2919 0.0169 0.0088 0.0922 178 PRO D CB 5727 C CG . PRO D 208 ? 0.2492 0.4335 0.3441 0.0151 0.0160 0.0995 178 PRO D CG 5728 C CD . PRO D 208 ? 0.2029 0.4139 0.2815 0.0183 0.0165 0.0942 178 PRO D CD 5729 N N . SER D 209 ? 0.2035 0.4326 0.2794 0.0204 -0.0056 0.0642 179 SER D N 5730 C CA . SER D 209 ? 0.2015 0.4378 0.2777 0.0180 -0.0143 0.0498 179 SER D CA 5731 C C . SER D 209 ? 0.2672 0.5313 0.3327 0.0234 -0.0209 0.0529 179 SER D C 5732 O O . SER D 209 ? 0.2714 0.5444 0.3387 0.0210 -0.0291 0.0434 179 SER D O 5733 C CB . SER D 209 ? 0.2422 0.4721 0.3135 0.0133 -0.0163 0.0295 179 SER D CB 5734 O OG . SER D 209 ? 0.3282 0.5757 0.3821 0.0187 -0.0162 0.0244 179 SER D OG 5735 N N . LEU D 210 ? 0.2311 0.5110 0.2857 0.0299 -0.0178 0.0667 180 LEU D N 5736 C CA . LEU D 210 ? 0.2457 0.5547 0.2879 0.0358 -0.0239 0.0708 180 LEU D CA 5737 C C . LEU D 210 ? 0.3092 0.6231 0.3566 0.0412 -0.0250 0.0925 180 LEU D C 5738 O O . LEU D 210 ? 0.3001 0.5984 0.3544 0.0420 -0.0194 0.1085 180 LEU D O 5739 C CB . LEU D 210 ? 0.2595 0.5888 0.2828 0.0401 -0.0204 0.0707 180 LEU D CB 5740 C CG . LEU D 210 ? 0.3123 0.6373 0.3284 0.0382 -0.0186 0.0498 180 LEU D CG 5741 C CD1 . LEU D 210 ? 0.3247 0.6697 0.3258 0.0439 -0.0116 0.0557 180 LEU D CD1 5742 C CD2 . LEU D 210 ? 0.3376 0.6702 0.3471 0.0369 -0.0294 0.0271 180 LEU D CD2 5743 N N . GLN D 211 ? 0.2843 0.6194 0.3284 0.0452 -0.0334 0.0930 181 GLN D N 5744 C CA . GLN D 211 ? 0.2912 0.6341 0.3388 0.0526 -0.0366 0.1130 181 GLN D CA 5745 C C . GLN D 211 ? 0.3789 0.7422 0.4101 0.0582 -0.0351 0.1293 181 GLN D C 5746 O O . GLN D 211 ? 0.3891 0.7497 0.4227 0.0631 -0.0348 0.1514 181 GLN D O 5747 C CB . GLN D 211 ? 0.3026 0.6631 0.3546 0.0548 -0.0466 0.1066 181 GLN D CB 5748 C CG . GLN D 211 ? 0.3132 0.6580 0.3842 0.0505 -0.0480 0.0976 181 GLN D CG 5749 C CD . GLN D 211 ? 0.4663 0.7852 0.5509 0.0536 -0.0427 0.1100 181 GLN D CD 5750 O OE1 . GLN D 211 ? 0.4109 0.7296 0.4978 0.0625 -0.0442 0.1271 181 GLN D OE1 5751 N NE2 . GLN D 211 ? 0.3172 0.6123 0.4105 0.0467 -0.0371 0.1012 181 GLN D NE2 5752 N N . ASN D 212 ? 0.3500 0.7348 0.3644 0.0578 -0.0351 0.1183 182 ASN D N 5753 C CA . ASN D 212 ? 0.3725 0.7845 0.3686 0.0630 -0.0333 0.1311 182 ASN D CA 5754 C C . ASN D 212 ? 0.4286 0.8453 0.4134 0.0607 -0.0261 0.1198 182 ASN D C 5755 O O . ASN D 212 ? 0.4145 0.8205 0.4009 0.0568 -0.0268 0.0964 182 ASN D O 5756 C CB . ASN D 212 ? 0.3950 0.8404 0.3784 0.0686 -0.0431 0.1276 182 ASN D CB 5757 C CG . ASN D 212 ? 0.6996 1.1428 0.6958 0.0713 -0.0511 0.1335 182 ASN D CG 5758 O OD1 . ASN D 212 ? 0.6512 1.0895 0.6535 0.0763 -0.0513 0.1559 182 ASN D OD1 5759 N ND2 . ASN D 212 ? 0.5874 1.0308 0.5903 0.0676 -0.0578 0.1134 182 ASN D ND2 5760 N N . PRO D 213 ? 0.3987 0.8324 0.3724 0.0633 -0.0195 0.1367 183 PRO D N 5761 C CA . PRO D 213 ? 0.4007 0.8434 0.3642 0.0628 -0.0121 0.1259 183 PRO D CA 5762 C C . PRO D 213 ? 0.4647 0.9341 0.4095 0.0680 -0.0172 0.1017 183 PRO D C 5763 O O . PRO D 213 ? 0.4761 0.9699 0.4101 0.0727 -0.0250 0.1016 183 PRO D O 5764 C CB . PRO D 213 ? 0.4349 0.8958 0.3919 0.0640 -0.0048 0.1539 183 PRO D CB 5765 C CG . PRO D 213 ? 0.5011 0.9734 0.4563 0.0675 -0.0113 0.1748 183 PRO D CG 5766 C CD . PRO D 213 ? 0.4318 0.8772 0.4028 0.0664 -0.0188 0.1675 183 PRO D CD 5767 N N . ILE D 214 ? 0.4115 0.8751 0.3528 0.0676 -0.0139 0.0802 184 ILE D N 5768 C CA . ILE D 214 ? 0.4256 0.9098 0.3490 0.0736 -0.0196 0.0540 184 ILE D CA 5769 C C . ILE D 214 ? 0.5099 1.0352 0.4128 0.0821 -0.0134 0.0622 184 ILE D C 5770 O O . ILE D 214 ? 0.4974 1.0253 0.4013 0.0822 -0.0028 0.0709 184 ILE D O 5771 C CB . ILE D 214 ? 0.4564 0.9138 0.3851 0.0709 -0.0208 0.0262 184 ILE D CB 5772 C CG1 . ILE D 214 ? 0.4507 0.8740 0.3979 0.0617 -0.0283 0.0179 184 ILE D CG1 5773 C CG2 . ILE D 214 ? 0.4822 0.9609 0.3902 0.0792 -0.0269 -0.0009 184 ILE D CG2 5774 C CD1 . ILE D 214 ? 0.5443 0.9350 0.5007 0.0567 -0.0290 -0.0036 184 ILE D CD1 5775 N N . ILE D 215 ? 0.5042 1.0642 0.3887 0.0891 -0.0201 0.0600 185 ILE D N 5776 C CA . ILE D 215 ? 0.5310 1.1367 0.3934 0.0982 -0.0150 0.0668 185 ILE D CA 5777 C C . ILE D 215 ? 0.6201 1.2441 0.4631 0.1072 -0.0222 0.0325 185 ILE D C 5778 O O . ILE D 215 ? 0.6227 1.2491 0.4601 0.1082 -0.0347 0.0174 185 ILE D O 5779 C CB . ILE D 215 ? 0.5812 1.2160 0.4364 0.0999 -0.0164 0.0964 185 ILE D CB 5780 C CG1 . ILE D 215 ? 0.5760 1.1871 0.4510 0.0916 -0.0106 0.1294 185 ILE D CG1 5781 C CG2 . ILE D 215 ? 0.6083 1.2958 0.4391 0.1091 -0.0112 0.1036 185 ILE D CG2 5782 C CD1 . ILE D 215 ? 0.6853 1.2797 0.5718 0.0890 -0.0197 0.1400 185 ILE D CD1 5783 N N . VAL D 216 ? 0.6012 1.2361 0.4352 0.1137 -0.0152 0.0191 186 VAL D N 5784 C CA . VAL D 216 ? 0.6284 1.2798 0.4430 0.1249 -0.0216 -0.0154 186 VAL D CA 5785 C C . VAL D 216 ? 0.7216 1.4287 0.5133 0.1371 -0.0134 -0.0076 186 VAL D C 5786 O O . VAL D 216 ? 0.7114 1.4304 0.5076 0.1362 -0.0001 0.0127 186 VAL D O 5787 C CB . VAL D 216 ? 0.6661 1.2801 0.4906 0.1243 -0.0219 -0.0414 186 VAL D CB 5788 C CG1 . VAL D 216 ? 0.6871 1.3177 0.4904 0.1383 -0.0286 -0.0770 186 VAL D CG1 5789 C CG2 . VAL D 216 ? 0.6453 1.2095 0.4909 0.1117 -0.0307 -0.0483 186 VAL D CG2 5790 N N . GLU D 217 ? 0.7207 1.4644 0.4885 0.1476 -0.0215 -0.0222 187 GLU D N 5791 C CA . GLU D 217 ? 0.7522 1.5553 0.4960 0.1601 -0.0143 -0.0151 187 GLU D CA 5792 C C . GLU D 217 ? 0.8459 1.6696 0.5682 0.1766 -0.0183 -0.0540 187 GLU D C 5793 O O . GLU D 217 ? 0.8488 1.6432 0.5707 0.1783 -0.0313 -0.0872 187 GLU D O 5794 C CB . GLU D 217 ? 0.7851 1.6251 0.5156 0.1610 -0.0186 0.0058 187 GLU D CB 5795 C CG . GLU D 217 ? 0.9421 1.7752 0.6657 0.1618 -0.0362 -0.0152 187 GLU D CG 5796 C CD . GLU D 217 ? 1.2460 2.1230 0.9533 0.1653 -0.0403 0.0040 187 GLU D CD 5797 O OE1 . GLU D 217 ? 1.2021 2.1246 0.8824 0.1783 -0.0439 -0.0110 187 GLU D OE1 5798 O OE2 . GLU D 217 ? 1.1601 2.0269 0.8810 0.1561 -0.0403 0.0342 187 GLU D OE2 5799 N N . TRP D 218 ? 0.8298 1.7049 0.5349 0.1886 -0.0074 -0.0489 188 TRP D N 5800 C CA . TRP D 218 ? 0.8578 1.7633 0.5400 0.2079 -0.0089 -0.0829 188 TRP D CA 5801 C C . TRP D 218 ? 0.9232 1.9014 0.5773 0.2201 -0.0049 -0.0725 188 TRP D C 5802 O O . TRP D 218 ? 0.9076 1.9212 0.5625 0.2170 0.0091 -0.0375 188 TRP D O 5803 C CB . TRP D 218 ? 0.8359 1.7330 0.5283 0.2117 0.0031 -0.0879 188 TRP D CB 5804 C CG . TRP D 218 ? 0.8774 1.7988 0.5494 0.2332 0.0010 -0.1259 188 TRP D CG 5805 C CD1 . TRP D 218 ? 0.9231 1.8056 0.5956 0.2406 -0.0105 -0.1659 188 TRP D CD1 5806 C CD2 . TRP D 218 ? 0.8990 1.8892 0.5477 0.2509 0.0106 -0.1267 188 TRP D CD2 5807 N NE1 . TRP D 218 ? 0.9446 1.8651 0.5951 0.2633 -0.0096 -0.1937 188 TRP D NE1 5808 C CE2 . TRP D 218 ? 0.9710 1.9603 0.6064 0.2705 0.0039 -0.1708 188 TRP D CE2 5809 C CE3 . TRP D 218 ? 0.9212 1.9751 0.5591 0.2522 0.0238 -0.0938 188 TRP D CE3 5810 C CZ2 . TRP D 218 ? 0.9897 2.0418 0.6010 0.2929 0.0105 -0.1848 188 TRP D CZ2 5811 C CZ3 . TRP D 218 ? 0.9658 2.0842 0.5801 0.2725 0.0310 -0.1055 188 TRP D CZ3 5812 C CH2 . TRP D 218 ? 0.9951 2.1136 0.5960 0.2935 0.0247 -0.1515 188 TRP D CH2 5813 N N . ARG D 219 ? 0.9067 1.9072 0.5363 0.2331 -0.0180 -0.1020 189 ARG D N 5814 C CA . ARG D 219 ? 1.2130 2.2841 0.8126 0.2463 -0.0166 -0.0971 189 ARG D CA 5815 C C . ARG D 219 ? 1.3970 2.5223 0.9811 0.2624 -0.0025 -0.0995 189 ARG D C 5816 O O . ARG D 219 ? 0.8758 2.0050 0.4474 0.2792 -0.0064 -0.1382 189 ARG D O 5817 N N . GLN E 4 ? 0.2978 0.5236 0.5394 -0.0487 0.0605 -0.0731 9 GLN E N 5818 C CA . GLN E 4 ? 0.2762 0.5381 0.5256 -0.0423 0.0538 -0.0660 9 GLN E CA 5819 C C . GLN E 4 ? 0.2754 0.5329 0.5419 -0.0073 0.0467 -0.0490 9 GLN E C 5820 O O . GLN E 4 ? 0.2577 0.5237 0.5290 0.0110 0.0447 -0.0404 9 GLN E O 5821 C CB . GLN E 4 ? 0.2969 0.6354 0.5406 -0.0573 0.0510 -0.0681 9 GLN E CB 5822 C CG . GLN E 4 ? 0.5645 0.9148 0.7920 -0.0942 0.0572 -0.0839 9 GLN E CG 5823 C CD . GLN E 4 ? 0.8607 1.2337 1.0952 -0.0910 0.0531 -0.0790 9 GLN E CD 5824 O OE1 . GLN E 4 ? 0.8121 1.1363 1.0492 -0.0850 0.0549 -0.0781 9 GLN E OE1 5825 N NE2 . GLN E 4 ? 0.7826 1.2341 1.0203 -0.0938 0.0476 -0.0749 9 GLN E NE2 5826 N N . VAL E 5 ? 0.2150 0.4549 0.4876 0.0003 0.0448 -0.0451 10 VAL E N 5827 C CA . VAL E 5 ? 0.1927 0.4209 0.4769 0.0287 0.0405 -0.0316 10 VAL E CA 5828 C C . VAL E 5 ? 0.2191 0.4693 0.5052 0.0290 0.0379 -0.0285 10 VAL E C 5829 O O . VAL E 5 ? 0.2265 0.4606 0.5083 0.0115 0.0399 -0.0370 10 VAL E O 5830 C CB . VAL E 5 ? 0.2406 0.4077 0.5301 0.0385 0.0421 -0.0310 10 VAL E CB 5831 C CG1 . VAL E 5 ? 0.2511 0.3798 0.5349 0.0207 0.0469 -0.0418 10 VAL E CG1 5832 C CG2 . VAL E 5 ? 0.2271 0.3795 0.5242 0.0595 0.0392 -0.0206 10 VAL E CG2 5833 N N . THR E 6 ? 0.1515 0.4383 0.4420 0.0498 0.0351 -0.0156 11 THR E N 5834 C CA . THR E 6 ? 0.1393 0.4557 0.4319 0.0547 0.0333 -0.0101 11 THR E CA 5835 C C . THR E 6 ? 0.1733 0.4616 0.4699 0.0823 0.0339 0.0020 11 THR E C 5836 O O . THR E 6 ? 0.1777 0.4558 0.4732 0.1031 0.0363 0.0113 11 THR E O 5837 C CB . THR E 6 ? 0.2251 0.6190 0.5162 0.0564 0.0319 -0.0044 11 THR E CB 5838 O OG1 . THR E 6 ? 0.2260 0.6438 0.5104 0.0270 0.0324 -0.0177 11 THR E OG1 5839 C CG2 . THR E 6 ? 0.2161 0.6526 0.5098 0.0597 0.0306 0.0010 11 THR E CG2 5840 N N . GLN E 7 ? 0.1113 0.3860 0.4095 0.0808 0.0332 0.0014 12 GLN E N 5841 C CA . GLN E 7 ? 0.1038 0.3551 0.4023 0.1032 0.0351 0.0115 12 GLN E CA 5842 C C . GLN E 7 ? 0.1552 0.4476 0.4532 0.1133 0.0359 0.0197 12 GLN E C 5843 O O . GLN E 7 ? 0.1567 0.4770 0.4562 0.0967 0.0335 0.0139 12 GLN E O 5844 C CB . GLN E 7 ? 0.1147 0.3110 0.4149 0.0961 0.0341 0.0052 12 GLN E CB 5845 C CG . GLN E 7 ? 0.1000 0.2519 0.4009 0.1011 0.0353 0.0043 12 GLN E CG 5846 C CD . GLN E 7 ? 0.2348 0.3441 0.5381 0.0940 0.0337 -0.0010 12 GLN E CD 5847 O OE1 . GLN E 7 ? 0.1246 0.2190 0.4298 0.0803 0.0327 -0.0087 12 GLN E OE1 5848 N NE2 . GLN E 7 ? 0.1149 0.2050 0.4163 0.1044 0.0348 0.0036 12 GLN E NE2 5849 N N . SER E 8 ? 0.1119 0.4051 0.4054 0.1411 0.0411 0.0335 13 SER E N 5850 C CA . SER E 8 ? 0.1108 0.4342 0.4025 0.1556 0.0440 0.0430 13 SER E CA 5851 C C . SER E 8 ? 0.1725 0.4519 0.4547 0.1804 0.0525 0.0529 13 SER E C 5852 O O . SER E 8 ? 0.1721 0.4159 0.4470 0.1920 0.0578 0.0564 13 SER E O 5853 C CB . SER E 8 ? 0.1411 0.5386 0.4331 0.1666 0.0449 0.0530 13 SER E CB 5854 O OG . SER E 8 ? 0.2141 0.6136 0.5012 0.1819 0.0483 0.0604 13 SER E OG 5855 N N . PRO E 9 ? 0.1409 0.4193 0.4201 0.1880 0.0556 0.0570 14 PRO E N 5856 C CA . PRO E 9 ? 0.1263 0.4479 0.4143 0.1701 0.0492 0.0512 14 PRO E CA 5857 C C . PRO E 9 ? 0.1619 0.4501 0.4550 0.1411 0.0423 0.0355 14 PRO E C 5858 O O . PRO E 9 ? 0.1676 0.4031 0.4587 0.1389 0.0422 0.0313 14 PRO E O 5859 C CB . PRO E 9 ? 0.1595 0.4911 0.4415 0.1913 0.0562 0.0624 14 PRO E CB 5860 C CG . PRO E 9 ? 0.2307 0.4938 0.5014 0.2030 0.0632 0.0641 14 PRO E CG 5861 C CD . PRO E 9 ? 0.1804 0.4213 0.4464 0.2099 0.0661 0.0659 14 PRO E CD 5862 N N . GLU E 10 ? 0.1046 0.4248 0.4023 0.1194 0.0380 0.0276 15 GLU E N 5863 C CA . GLU E 10 ? 0.1052 0.3887 0.4035 0.0952 0.0345 0.0148 15 GLU E CA 5864 C C . GLU E 10 ? 0.1616 0.4020 0.4567 0.1029 0.0358 0.0167 15 GLU E C 5865 O O . GLU E 10 ? 0.1530 0.3470 0.4473 0.0950 0.0339 0.0108 15 GLU E O 5866 C CB . GLU E 10 ? 0.1258 0.4461 0.4244 0.0671 0.0328 0.0045 15 GLU E CB 5867 C CG . GLU E 10 ? 0.2957 0.6085 0.5915 0.0524 0.0333 -0.0009 15 GLU E CG 5868 C CD . GLU E 10 ? 0.6488 0.8964 0.9405 0.0439 0.0330 -0.0075 15 GLU E CD 5869 O OE1 . GLU E 10 ? 0.6574 0.8930 0.9466 0.0423 0.0337 -0.0074 15 GLU E OE1 5870 O OE2 . GLU E 10 ? 0.5591 0.7701 0.8499 0.0407 0.0324 -0.0116 15 GLU E OE2 5871 N N . ALA E 11 ? 0.1305 0.3889 0.4230 0.1200 0.0398 0.0261 16 ALA E N 5872 C CA . ALA E 11 ? 0.1315 0.3496 0.4179 0.1292 0.0428 0.0286 16 ALA E CA 5873 C C . ALA E 11 ? 0.1904 0.4060 0.4679 0.1583 0.0519 0.0416 16 ALA E C 5874 O O . ALA E 11 ? 0.1720 0.4295 0.4493 0.1737 0.0559 0.0509 16 ALA E O 5875 C CB . ALA E 11 ? 0.1371 0.3653 0.4240 0.1164 0.0412 0.0246 16 ALA E CB 5876 N N . LEU E 12 ? 0.1736 0.3383 0.4411 0.1656 0.0565 0.0422 17 LEU E N 5877 C CA . LEU E 12 ? 0.1927 0.3397 0.4446 0.1922 0.0694 0.0535 17 LEU E CA 5878 C C . LEU E 12 ? 0.2653 0.3730 0.5055 0.1929 0.0746 0.0520 17 LEU E C 5879 O O . LEU E 12 ? 0.2584 0.3289 0.4983 0.1762 0.0695 0.0425 17 LEU E O 5880 C CB . LEU E 12 ? 0.2026 0.3176 0.4470 0.1999 0.0744 0.0550 17 LEU E CB 5881 C CG . LEU E 12 ? 0.2930 0.3884 0.5161 0.2292 0.0918 0.0680 17 LEU E CG 5882 C CD1 . LEU E 12 ? 0.2904 0.4427 0.5136 0.2539 0.0977 0.0831 17 LEU E CD1 5883 C CD2 . LEU E 12 ? 0.3383 0.3989 0.5534 0.2309 0.0964 0.0670 17 LEU E CD2 5884 N N . ARG E 13 ? 0.2408 0.3581 0.4696 0.2142 0.0858 0.0626 18 ARG E N 5885 C CA . ARG E 13 ? 0.2567 0.3376 0.4702 0.2179 0.0939 0.0625 18 ARG E CA 5886 C C . ARG E 13 ? 0.3305 0.3724 0.5193 0.2410 0.1122 0.0711 18 ARG E C 5887 O O . ARG E 13 ? 0.3359 0.3989 0.5185 0.2656 0.1222 0.0839 18 ARG E O 5888 C CB . ARG E 13 ? 0.2735 0.3950 0.4902 0.2259 0.0957 0.0687 18 ARG E CB 5889 C CG . ARG E 13 ? 0.4294 0.5756 0.6633 0.2002 0.0814 0.0587 18 ARG E CG 5890 C CD . ARG E 13 ? 0.5978 0.7009 0.8229 0.1890 0.0812 0.0517 18 ARG E CD 5891 N NE . ARG E 13 ? 0.7312 0.8360 0.9434 0.2064 0.0930 0.0597 18 ARG E NE 5892 C CZ . ARG E 13 ? 0.9206 1.0705 1.1405 0.2078 0.0920 0.0633 18 ARG E CZ 5893 N NH1 . ARG E 13 ? 0.7385 0.9332 0.9769 0.1898 0.0804 0.0582 18 ARG E NH1 5894 N NH2 . ARG E 13 ? 0.7883 0.9372 0.9951 0.2261 0.1043 0.0714 18 ARG E NH2 5895 N N . LEU E 14 ? 0.2931 0.2775 0.4657 0.2318 0.1176 0.0637 19 LEU E N 5896 C CA . LEU E 14 ? 0.3244 0.2580 0.4640 0.2469 0.1388 0.0695 19 LEU E CA 5897 C C . LEU E 14 ? 0.3868 0.2750 0.5062 0.2428 0.1489 0.0639 19 LEU E C 5898 O O . LEU E 14 ? 0.3660 0.2588 0.4963 0.2221 0.1364 0.0544 19 LEU E O 5899 C CB . LEU E 14 ? 0.3296 0.2312 0.4608 0.2335 0.1392 0.0640 19 LEU E CB 5900 C CG . LEU E 14 ? 0.3600 0.2929 0.5114 0.2459 0.1337 0.0681 19 LEU E CG 5901 C CD1 . LEU E 14 ? 0.3701 0.2629 0.5134 0.2343 0.1364 0.0609 19 LEU E CD1 5902 C CD2 . LEU E 14 ? 0.4003 0.3567 0.5410 0.2807 0.1482 0.0864 19 LEU E CD2 5903 N N . GLN E 15 ? 0.3918 0.2348 0.4746 0.2580 0.1727 0.0709 20 GLN E N 5904 C CA . GLN E 15 ? 0.4265 0.2149 0.4812 0.2549 0.1881 0.0649 20 GLN E CA 5905 C C . GLN E 15 ? 0.5101 0.2437 0.5468 0.2332 0.1935 0.0520 20 GLN E C 5906 O O . GLN E 15 ? 0.4973 0.2265 0.5354 0.2349 0.1944 0.0531 20 GLN E O 5907 C CB . GLN E 15 ? 0.4842 0.2511 0.5080 0.2910 0.2160 0.0804 20 GLN E CB 5908 C CG . GLN E 15 ? 0.6083 0.3466 0.6108 0.2897 0.2274 0.0777 20 GLN E CG 5909 C CD . GLN E 15 ? 0.7615 0.5553 0.7949 0.2811 0.2069 0.0760 20 GLN E CD 5910 O OE1 . GLN E 15 ? 0.6400 0.4956 0.6981 0.2962 0.1978 0.0862 20 GLN E OE1 5911 N NE2 . GLN E 15 ? 0.6649 0.4393 0.6960 0.2551 0.1997 0.0626 20 GLN E NE2 5912 N N . GLU E 16 ? 0.5032 0.1998 0.5226 0.2107 0.1967 0.0395 21 GLU E N 5913 C CA . GLU E 16 ? 0.5282 0.1785 0.5277 0.1863 0.2031 0.0264 21 GLU E CA 5914 C C . GLU E 16 ? 0.6281 0.2251 0.5884 0.2054 0.2333 0.0334 21 GLU E C 5915 O O . GLU E 16 ? 0.6703 0.2338 0.5987 0.2271 0.2575 0.0419 21 GLU E O 5916 C CB . GLU E 16 ? 0.5643 0.1879 0.5472 0.1591 0.2039 0.0123 21 GLU E CB 5917 C CG . GLU E 16 ? 0.7083 0.3071 0.6813 0.1266 0.2027 -0.0033 21 GLU E CG 5918 C CD . GLU E 16 ? 0.9171 0.4997 0.8749 0.0956 0.2013 -0.0182 21 GLU E CD 5919 O OE1 . GLU E 16 ? 0.8574 0.4214 0.8021 0.0681 0.2036 -0.0312 21 GLU E OE1 5920 O OE2 . GLU E 16 ? 0.7419 0.3348 0.7012 0.0975 0.1975 -0.0172 21 GLU E OE2 5921 N N . GLY E 17 ? 0.5784 0.1705 0.5421 0.2006 0.2322 0.0317 22 GLY E N 5922 C CA . GLY E 17 ? 0.6257 0.1672 0.5530 0.2177 0.2602 0.0386 22 GLY E CA 5923 C C . GLY E 17 ? 0.6643 0.2371 0.6027 0.2551 0.2626 0.0583 22 GLY E C 5924 O O . GLY E 17 ? 0.7093 0.2447 0.6197 0.2720 0.2846 0.0661 22 GLY E O 5925 N N . GLU E 18 ? 0.5682 0.2103 0.5446 0.2677 0.2417 0.0666 23 GLU E N 5926 C CA . GLU E 18 ? 0.5496 0.2372 0.5400 0.3008 0.2410 0.0850 23 GLU E CA 5927 C C . GLU E 18 ? 0.5701 0.2845 0.5852 0.2905 0.2248 0.0818 23 GLU E C 5928 O O . GLU E 18 ? 0.5203 0.2851 0.5736 0.2727 0.1979 0.0748 23 GLU E O 5929 C CB . GLU E 18 ? 0.5271 0.2818 0.5468 0.3120 0.2254 0.0924 23 GLU E CB 5930 C CG . GLU E 18 ? 0.6112 0.4223 0.6430 0.3461 0.2261 0.1120 23 GLU E CG 5931 C CD . GLU E 18 ? 0.6905 0.5804 0.7563 0.3490 0.2070 0.1164 23 GLU E CD 5932 O OE1 . GLU E 18 ? 0.5134 0.4619 0.5952 0.3678 0.2021 0.1288 23 GLU E OE1 5933 O OE2 . GLU E 18 ? 0.5098 0.4051 0.5851 0.3316 0.1976 0.1074 23 GLU E OE2 5934 N N . SER E 19 ? 0.5536 0.2301 0.5438 0.3020 0.2432 0.0871 24 SER E N 5935 C CA . SER E 19 ? 0.5273 0.2226 0.5351 0.2943 0.2318 0.0851 24 SER E CA 5936 C C . SER E 19 ? 0.5535 0.3252 0.5949 0.3126 0.2148 0.0969 24 SER E C 5937 O O . SER E 19 ? 0.5709 0.3705 0.6082 0.3430 0.2226 0.1131 24 SER E O 5938 C CB . SER E 19 ? 0.6081 0.2432 0.5766 0.3074 0.2594 0.0906 24 SER E CB 5939 O OG . SER E 19 ? 0.7463 0.3095 0.6799 0.2858 0.2773 0.0774 24 SER E OG 5940 N N . SER E 20 ? 0.4750 0.2829 0.5484 0.2929 0.1922 0.0886 25 SER E N 5941 C CA . SER E 20 ? 0.4430 0.3234 0.5469 0.3019 0.1753 0.0960 25 SER E CA 5942 C C . SER E 20 ? 0.4668 0.3589 0.5883 0.2857 0.1625 0.0887 25 SER E C 5943 O O . SER E 20 ? 0.4769 0.3235 0.5883 0.2693 0.1667 0.0789 25 SER E O 5944 C CB . SER E 20 ? 0.4649 0.3934 0.5968 0.2885 0.1557 0.0904 25 SER E CB 5945 O OG . SER E 20 ? 0.5829 0.5821 0.7354 0.3006 0.1458 0.0996 25 SER E OG 5946 N N . SER E 21 ? 0.3820 0.3369 0.5283 0.2893 0.1481 0.0931 26 SER E N 5947 C CA . SER E 21 ? 0.3517 0.3229 0.5150 0.2752 0.1361 0.0868 26 SER E CA 5948 C C . SER E 21 ? 0.3360 0.3679 0.5313 0.2589 0.1142 0.0805 26 SER E C 5949 O O . SER E 21 ? 0.3214 0.4030 0.5243 0.2690 0.1108 0.0879 26 SER E O 5950 C CB . SER E 21 ? 0.4235 0.4002 0.5721 0.3009 0.1487 0.1012 26 SER E CB 5951 O OG . SER E 21 ? 0.5966 0.5096 0.7097 0.3164 0.1730 0.1074 26 SER E OG 5952 N N . LEU E 22 ? 0.2601 0.2873 0.4719 0.2331 0.1011 0.0668 27 LEU E N 5953 C CA . LEU E 22 ? 0.2202 0.2917 0.4558 0.2133 0.0835 0.0589 27 LEU E CA 5954 C C . LEU E 22 ? 0.2528 0.3486 0.4954 0.2144 0.0805 0.0599 27 LEU E C 5955 O O . LEU E 22 ? 0.2633 0.3276 0.4973 0.2173 0.0869 0.0601 27 LEU E O 5956 C CB . LEU E 22 ? 0.2033 0.2504 0.4493 0.1857 0.0729 0.0442 27 LEU E CB 5957 C CG . LEU E 22 ? 0.2619 0.2796 0.5028 0.1844 0.0759 0.0412 27 LEU E CG 5958 C CD1 . LEU E 22 ? 0.2379 0.2469 0.4926 0.1607 0.0640 0.0290 27 LEU E CD1 5959 C CD2 . LEU E 22 ? 0.2835 0.3280 0.5217 0.1965 0.0784 0.0488 27 LEU E CD2 5960 N N . ASN E 23 ? 0.1849 0.3351 0.4372 0.2073 0.0715 0.0602 28 ASN E N 5961 C CA . ASN E 23 ? 0.1753 0.3549 0.4342 0.2069 0.0686 0.0605 28 ASN E CA 5962 C C . ASN E 23 ? 0.1970 0.3807 0.4720 0.1780 0.0568 0.0448 28 ASN E C 5963 O O . ASN E 23 ? 0.1619 0.3499 0.4453 0.1605 0.0500 0.0361 28 ASN E O 5964 C CB . ASN E 23 ? 0.1997 0.4479 0.4591 0.2235 0.0695 0.0726 28 ASN E CB 5965 C CG . ASN E 23 ? 0.4764 0.7640 0.7409 0.2168 0.0645 0.0712 28 ASN E CG 5966 O OD1 . ASN E 23 ? 0.3887 0.6614 0.6445 0.2294 0.0707 0.0772 28 ASN E OD1 5967 N ND2 . ASN E 23 ? 0.3632 0.6936 0.6399 0.1922 0.0541 0.0608 28 ASN E ND2 5968 N N . CYS E 24 ? 0.1751 0.3564 0.4509 0.1740 0.0564 0.0422 29 CYS E N 5969 C CA . CYS E 24 ? 0.1700 0.3552 0.4558 0.1497 0.0487 0.0293 29 CYS E CA 5970 C C . CYS E 24 ? 0.2398 0.4552 0.5232 0.1525 0.0495 0.0321 29 CYS E C 5971 O O . CYS E 24 ? 0.2471 0.4392 0.5246 0.1630 0.0548 0.0361 29 CYS E O 5972 C CB . CYS E 24 ? 0.1773 0.3097 0.4668 0.1387 0.0478 0.0203 29 CYS E CB 5973 S SG . CYS E 24 ? 0.2213 0.3508 0.5191 0.1140 0.0424 0.0064 29 CYS E SG 5974 N N . SER E 25 ? 0.1902 0.4594 0.4765 0.1415 0.0448 0.0295 30 SER E N 5975 C CA . SER E 25 ? 0.1843 0.4919 0.4680 0.1396 0.0444 0.0305 30 SER E CA 5976 C C . SER E 25 ? 0.2361 0.5326 0.5230 0.1100 0.0407 0.0138 30 SER E C 5977 O O . SER E 25 ? 0.2292 0.5133 0.5194 0.0896 0.0381 0.0027 30 SER E O 5978 C CB . SER E 25 ? 0.2261 0.6088 0.5085 0.1445 0.0426 0.0382 30 SER E CB 5979 O OG . SER E 25 ? 0.3679 0.7593 0.6449 0.1764 0.0486 0.0559 30 SER E OG 5980 N N . TYR E 26 ? 0.1965 0.4938 0.4801 0.1090 0.0422 0.0127 31 TYR E N 5981 C CA . TYR E 26 ? 0.1903 0.4765 0.4732 0.0834 0.0415 -0.0021 31 TYR E CA 5982 C C . TYR E 26 ? 0.2891 0.6263 0.5655 0.0815 0.0415 -0.0001 31 TYR E C 5983 O O . TYR E 26 ? 0.2793 0.6244 0.5526 0.1036 0.0439 0.0120 31 TYR E O 5984 C CB . TYR E 26 ? 0.1815 0.4039 0.4677 0.0835 0.0442 -0.0069 31 TYR E CB 5985 C CG . TYR E 26 ? 0.1738 0.3771 0.4582 0.1051 0.0482 0.0030 31 TYR E CG 5986 C CD1 . TYR E 26 ? 0.1943 0.3754 0.4778 0.1255 0.0513 0.0132 31 TYR E CD1 5987 C CD2 . TYR E 26 ? 0.1761 0.3792 0.4568 0.1033 0.0508 0.0013 31 TYR E CD2 5988 C CE1 . TYR E 26 ? 0.2129 0.3711 0.4896 0.1428 0.0580 0.0215 31 TYR E CE1 5989 C CE2 . TYR E 26 ? 0.1873 0.3707 0.4637 0.1219 0.0561 0.0103 31 TYR E CE2 5990 C CZ . TYR E 26 ? 0.2750 0.4346 0.5486 0.1410 0.0603 0.0202 31 TYR E CZ 5991 O OH . TYR E 26 ? 0.2541 0.3888 0.5188 0.1567 0.0685 0.0280 31 TYR E OH 5992 N N . THR E 27 ? 0.2958 0.6724 0.5679 0.0551 0.0395 -0.0111 32 THR E N 5993 C CA . THR E 27 ? 0.3159 0.7552 0.5805 0.0460 0.0385 -0.0117 32 THR E CA 5994 C C . THR E 27 ? 0.3964 0.8140 0.6544 0.0359 0.0418 -0.0195 32 THR E C 5995 O O . THR E 27 ? 0.4072 0.8747 0.6575 0.0280 0.0412 -0.0203 32 THR E O 5996 C CB . THR E 27 ? 0.4642 0.9494 0.7236 0.0139 0.0368 -0.0244 32 THR E CB 5997 O OG1 . THR E 27 ? 0.4840 0.9156 0.7375 -0.0143 0.0414 -0.0426 32 THR E OG1 5998 C CG2 . THR E 27 ? 0.4455 0.9681 0.7113 0.0232 0.0333 -0.0160 32 THR E CG2 5999 N N . VAL E 28 ? 0.3560 0.7051 0.6167 0.0369 0.0454 -0.0244 33 VAL E N 6000 C CA . VAL E 28 ? 0.3615 0.6880 0.6164 0.0286 0.0496 -0.0314 33 VAL E CA 6001 C C . VAL E 28 ? 0.3998 0.7024 0.6582 0.0550 0.0514 -0.0195 33 VAL E C 6002 O O . VAL E 28 ? 0.3933 0.6736 0.6580 0.0767 0.0514 -0.0091 33 VAL E O 6003 C CB . VAL E 28 ? 0.4182 0.6887 0.6705 0.0078 0.0549 -0.0467 33 VAL E CB 6004 C CG1 . VAL E 28 ? 0.4247 0.6748 0.6692 -0.0007 0.0608 -0.0541 33 VAL E CG1 6005 C CG2 . VAL E 28 ? 0.4288 0.7161 0.6716 -0.0211 0.0566 -0.0596 33 VAL E CG2 6006 N N . SER E 29 ? 0.3420 0.6463 0.5936 0.0502 0.0544 -0.0227 34 SER E N 6007 C CA . SER E 29 ? 0.3293 0.6031 0.5820 0.0693 0.0582 -0.0150 34 SER E CA 6008 C C . SER E 29 ? 0.3444 0.5651 0.5987 0.0551 0.0630 -0.0277 34 SER E C 6009 O O . SER E 29 ? 0.3550 0.5772 0.6020 0.0321 0.0655 -0.0407 34 SER E O 6010 C CB . SER E 29 ? 0.3865 0.7047 0.6295 0.0776 0.0588 -0.0070 34 SER E CB 6011 O OG . SER E 29 ? 0.5146 0.8356 0.7498 0.0554 0.0611 -0.0198 34 SER E OG 6012 N N . GLY E 30 ? 0.2462 0.4215 0.5083 0.0685 0.0656 -0.0238 35 GLY E N 6013 C CA . GLY E 30 ? 0.2207 0.3523 0.4867 0.0585 0.0700 -0.0336 35 GLY E CA 6014 C C . GLY E 30 ? 0.1988 0.2960 0.4758 0.0628 0.0690 -0.0334 35 GLY E C 6015 O O . GLY E 30 ? 0.1844 0.2620 0.4624 0.0510 0.0709 -0.0417 35 GLY E O 6016 N N . LEU E 31 ? 0.1152 0.2076 0.3975 0.0796 0.0669 -0.0234 36 LEU E N 6017 C CA . LEU E 31 ? 0.1046 0.1661 0.3906 0.0794 0.0643 -0.0218 36 LEU E CA 6018 C C . LEU E 31 ? 0.1270 0.1589 0.4260 0.0841 0.0694 -0.0253 36 LEU E C 6019 O O . LEU E 31 ? 0.1328 0.1589 0.4301 0.0884 0.0735 -0.0235 36 LEU E O 6020 C CB . LEU E 31 ? 0.1111 0.1737 0.3889 0.0900 0.0616 -0.0104 36 LEU E CB 6021 C CG . LEU E 31 ? 0.1592 0.2090 0.4565 0.1009 0.0619 -0.0115 36 LEU E CG 6022 C CD1 . LEU E 31 ? 0.1614 0.2256 0.4607 0.0920 0.0569 -0.0154 36 LEU E CD1 6023 C CD2 . LEU E 31 ? 0.1829 0.2250 0.4740 0.1171 0.0653 -0.0014 36 LEU E CD2 6024 N N . ARG E 32 ? 0.0890 0.0923 0.3552 0.0427 0.0580 -0.0197 37 ARG E N 6025 C CA . ARG E 32 ? 0.0814 0.0722 0.3472 0.0297 0.0582 -0.0167 37 ARG E CA 6026 C C . ARG E 32 ? 0.1005 0.0876 0.3863 0.0478 0.0593 -0.0164 37 ARG E C 6027 O O . ARG E 32 ? 0.1099 0.0906 0.4083 0.0536 0.0623 -0.0171 37 ARG E O 6028 C CB . ARG E 32 ? 0.0613 0.0493 0.3200 0.0074 0.0574 -0.0175 37 ARG E CB 6029 C CG . ARG E 32 ? 0.0756 0.0601 0.3410 0.0162 0.0661 -0.0244 37 ARG E CG 6030 C CD . ARG E 32 ? 0.0765 0.0552 0.3433 0.0104 0.0734 -0.0289 37 ARG E CD 6031 N NE . ARG E 32 ? 0.0636 0.0434 0.3299 -0.0002 0.0744 -0.0207 37 ARG E NE 6032 C CZ . ARG E 32 ? 0.1678 0.1033 0.4820 0.0710 0.0993 -0.0444 37 ARG E CZ 6033 N NH1 . ARG E 32 ? 0.0551 0.0390 0.2458 -0.0042 0.0596 -0.0146 37 ARG E NH1 6034 N NH2 . ARG E 32 ? 0.0923 0.0565 0.3744 0.0182 0.0876 -0.0198 37 ARG E NH2 6035 N N . GLY E 33 ? 0.0581 0.0498 0.3023 0.0104 0.0474 -0.0066 38 GLY E N 6036 C CA . GLY E 33 ? 0.0488 0.0406 0.2870 0.0024 0.0446 -0.0020 38 GLY E CA 6037 C C . GLY E 33 ? 0.0752 0.0688 0.3320 0.0295 0.0453 -0.0061 38 GLY E C 6038 O O . GLY E 33 ? 0.0716 0.0684 0.3298 0.0270 0.0432 -0.0102 38 GLY E O 6039 N N . LEU E 34 ? 0.0520 0.0446 0.2762 0.0072 0.0417 0.0031 39 LEU E N 6040 C CA . LEU E 34 ? 0.0489 0.0428 0.2626 0.0054 0.0384 0.0051 39 LEU E CA 6041 C C . LEU E 34 ? 0.0634 0.0552 0.3020 0.0185 0.0406 0.0022 39 LEU E C 6042 O O . LEU E 34 ? 0.0608 0.0500 0.2973 0.0142 0.0443 0.0042 39 LEU E O 6043 C CB . LEU E 34 ? 0.0607 0.0565 0.2576 0.0185 0.0418 0.0120 39 LEU E CB 6044 C CG . LEU E 34 ? 0.0875 0.0966 0.3090 0.0514 0.0435 0.0103 39 LEU E CG 6045 C CD1 . LEU E 34 ? 0.0914 0.1203 0.3007 0.0638 0.0442 0.0159 39 LEU E CD1 6046 C CD2 . LEU E 34 ? 0.1051 0.1059 0.3344 0.0652 0.0489 0.0132 39 LEU E CD2 6047 N N . PHE E 35 ? 0.0427 0.0380 0.2595 0.0002 0.0323 0.0016 40 PHE E N 6048 C CA . PHE E 35 ? 0.0419 0.0380 0.2512 0.0000 0.0288 0.0003 40 PHE E CA 6049 C C . PHE E 35 ? 0.0444 0.0399 0.2796 0.0023 0.0315 0.0017 40 PHE E C 6050 O O . PHE E 35 ? 0.0413 0.0380 0.2535 0.0001 0.0265 0.0009 40 PHE E O 6051 C CB . PHE E 35 ? 0.0414 0.0380 0.2746 -0.0004 0.0283 -0.0031 40 PHE E CB 6052 C CG . PHE E 35 ? 0.0421 0.0381 0.2922 -0.0005 0.0321 -0.0043 40 PHE E CG 6053 C CD1 . PHE E 35 ? 0.0548 0.0478 0.3238 0.0098 0.0370 -0.0075 40 PHE E CD1 6054 C CD2 . PHE E 35 ? 0.0450 0.0401 0.3172 0.0017 0.0350 -0.0050 40 PHE E CD2 6055 C CE1 . PHE E 35 ? 0.0604 0.0513 0.3375 0.0136 0.0409 -0.0092 40 PHE E CE1 6056 C CE2 . PHE E 35 ? 0.0666 0.0564 0.3589 0.0197 0.0402 -0.0084 40 PHE E CE2 6057 C CZ . PHE E 35 ? 0.0555 0.0472 0.3359 0.0092 0.0412 -0.0076 40 PHE E CZ 6058 N N . TRP E 36 ? 0.0422 0.0380 0.2483 0.0004 0.0296 0.0031 41 TRP E N 6059 C CA . TRP E 36 ? 0.0422 0.0381 0.2510 0.0006 0.0300 0.0045 41 TRP E CA 6060 C C . TRP E 36 ? 0.0607 0.0512 0.3141 0.0159 0.0302 -0.0008 41 TRP E C 6061 O O . TRP E 36 ? 0.0498 0.0434 0.3056 0.0066 0.0297 -0.0020 41 TRP E O 6062 C CB . TRP E 36 ? 0.0448 0.0384 0.2367 0.0018 0.0367 0.0095 41 TRP E CB 6063 C CG . TRP E 36 ? 0.0525 0.0433 0.2417 0.0081 0.0440 0.0171 41 TRP E CG 6064 C CD1 . TRP E 36 ? 0.0808 0.0637 0.2761 0.0318 0.0521 0.0193 41 TRP E CD1 6065 C CD2 . TRP E 36 ? 0.0577 0.0497 0.2357 0.0144 0.0424 0.0203 41 TRP E CD2 6066 N NE1 . TRP E 36 ? 0.0867 0.0736 0.2633 0.0404 0.0543 0.0268 41 TRP E NE1 6067 C CE2 . TRP E 36 ? 0.0955 0.0887 0.2841 0.0528 0.0504 0.0248 41 TRP E CE2 6068 C CE3 . TRP E 36 ? 0.0630 0.0571 0.2504 0.0210 0.0386 0.0176 41 TRP E CE3 6069 C CZ2 . TRP E 36 ? 0.1012 0.1076 0.2800 0.0652 0.0507 0.0307 41 TRP E CZ2 6070 C CZ3 . TRP E 36 ? 0.0813 0.0834 0.2704 0.0434 0.0403 0.0211 41 TRP E CZ3 6071 C CH2 . TRP E 36 ? 0.0967 0.1093 0.2811 0.0636 0.0458 0.0279 41 TRP E CH2 6072 N N . TYR E 37 ? 0.0504 0.0450 0.2971 0.0082 0.0260 -0.0001 42 TYR E N 6073 C CA . TYR E 37 ? 0.0556 0.0488 0.3147 0.0128 0.0227 -0.0024 42 TYR E CA 6074 C C . TYR E 37 ? 0.1177 0.0908 0.4104 0.0637 0.0259 -0.0055 42 TYR E C 6075 O O . TYR E 37 ? 0.1193 0.0959 0.4060 0.0675 0.0279 -0.0036 42 TYR E O 6076 C CB . TYR E 37 ? 0.0610 0.0535 0.3312 0.0180 0.0207 -0.0035 42 TYR E CB 6077 C CG . TYR E 37 ? 0.0738 0.0628 0.3598 0.0287 0.0227 -0.0050 42 TYR E CG 6078 C CD1 . TYR E 37 ? 0.0851 0.0711 0.3786 0.0380 0.0264 -0.0071 42 TYR E CD1 6079 C CD2 . TYR E 37 ? 0.0806 0.0692 0.3773 0.0355 0.0217 -0.0043 42 TYR E CD2 6080 C CE1 . TYR E 37 ? 0.0785 0.0657 0.3718 0.0319 0.0281 -0.0068 42 TYR E CE1 6081 C CE2 . TYR E 37 ? 0.0875 0.0758 0.3936 0.0422 0.0243 -0.0040 42 TYR E CE2 6082 C CZ . TYR E 37 ? 0.1130 0.0927 0.4366 0.0624 0.0298 -0.0078 42 TYR E CZ 6083 O OH . TYR E 37 ? 0.0864 0.0731 0.3928 0.0396 0.0310 -0.0047 42 TYR E OH 6084 N N . ARG E 38 ? 0.1138 0.0858 0.4058 0.0592 0.0231 -0.0060 43 ARG E N 6085 C CA . ARG E 38 ? 0.1258 0.0922 0.4176 0.0680 0.0229 -0.0055 43 ARG E CA 6086 C C . ARG E 38 ? 0.1947 0.1587 0.5054 0.0824 0.0181 -0.0057 43 ARG E C 6087 O O . ARG E 38 ? 0.1893 0.1583 0.5061 0.0806 0.0152 -0.0053 43 ARG E O 6088 C CB . ARG E 38 ? 0.1529 0.0986 0.4443 0.0820 0.0287 -0.0082 43 ARG E CB 6089 C CG . ARG E 38 ? 0.3520 0.2968 0.6425 0.0718 0.0274 -0.0120 43 ARG E CG 6090 C CD . ARG E 38 ? 0.5542 0.4834 0.8266 0.0657 0.0333 -0.0148 43 ARG E CD 6091 N NE . ARG E 38 ? 0.7265 0.6604 0.9976 0.0655 0.0285 -0.0133 43 ARG E NE 6092 C CZ . ARG E 38 ? 0.9078 0.8288 1.1627 0.0604 0.0331 -0.0156 43 ARG E CZ 6093 N NH1 . ARG E 38 ? 0.7897 0.6881 1.0255 0.0545 0.0443 -0.0199 43 ARG E NH1 6094 N NH2 . ARG E 38 ? 0.6833 0.6102 0.9381 0.0607 0.0282 -0.0138 43 ARG E NH2 6095 N N . GLN E 39 ? 0.1781 0.1431 0.4862 0.0833 0.0174 -0.0043 44 GLN E N 6096 C CA . GLN E 39 ? 0.1865 0.1510 0.4958 0.0824 0.0145 -0.0023 44 GLN E CA 6097 C C . GLN E 39 ? 0.2740 0.2371 0.5759 0.0810 0.0132 -0.0011 44 GLN E C 6098 O O . GLN E 39 ? 0.2684 0.2333 0.5657 0.0808 0.0155 -0.0017 44 GLN E O 6099 C CB . GLN E 39 ? 0.1988 0.1606 0.5087 0.0817 0.0177 -0.0029 44 GLN E CB 6100 C CG . GLN E 39 ? 0.2142 0.1664 0.5202 0.0825 0.0189 0.0002 44 GLN E CG 6101 C CD . GLN E 39 ? 0.3080 0.2494 0.6076 0.0781 0.0259 -0.0023 44 GLN E CD 6102 O OE1 . GLN E 39 ? 0.1677 0.1155 0.4648 0.0709 0.0280 -0.0070 44 GLN E OE1 6103 N NE2 . GLN E 39 ? 0.2567 0.1819 0.5508 0.0821 0.0310 0.0011 44 GLN E NE2 6104 N N . ASP E 40 ? 0.2607 0.2250 0.5617 0.0803 0.0096 0.0010 45 ASP E N 6105 C CA . ASP E 40 ? 0.2791 0.2418 0.5725 0.0788 0.0080 0.0026 45 ASP E CA 6106 C C . ASP E 40 ? 0.3556 0.3127 0.6475 0.0808 0.0096 0.0057 45 ASP E C 6107 O O . ASP E 40 ? 0.3560 0.3118 0.6506 0.0854 0.0097 0.0095 45 ASP E O 6108 C CB . ASP E 40 ? 0.3119 0.2823 0.6035 0.0760 0.0038 0.0035 45 ASP E CB 6109 C CG . ASP E 40 ? 0.5021 0.4725 0.7899 0.0694 0.0054 -0.0017 45 ASP E CG 6110 O OD1 . ASP E 40 ? 0.5149 0.4747 0.7992 0.0703 0.0109 -0.0045 45 ASP E OD1 6111 O OD2 . ASP E 40 ? 0.6010 0.5824 0.8870 0.0628 0.0025 -0.0029 45 ASP E OD2 6112 N N . PRO E 41 ? 0.3331 0.2864 0.6193 0.0775 0.0129 0.0042 46 PRO E N 6113 C CA . PRO E 41 ? 0.3440 0.2864 0.6242 0.0753 0.0177 0.0051 46 PRO E CA 6114 C C . PRO E 41 ? 0.4057 0.3379 0.6808 0.0813 0.0180 0.0117 46 PRO E C 6115 O O . PRO E 41 ? 0.4066 0.3442 0.6797 0.0836 0.0135 0.0151 46 PRO E O 6116 C CB . PRO E 41 ? 0.3688 0.3153 0.6425 0.0686 0.0198 0.0025 46 PRO E CB 6117 C CG . PRO E 41 ? 0.4132 0.3753 0.6926 0.0700 0.0182 0.0002 46 PRO E CG 6118 C CD . PRO E 41 ? 0.3521 0.3120 0.6353 0.0755 0.0142 0.0017 46 PRO E CD 6119 N N . GLY E 42 ? 0.3622 0.2807 0.6340 0.0850 0.0243 0.0140 47 GLY E N 6120 C CA . GLY E 42 ? 0.3709 0.2790 0.6362 0.0961 0.0276 0.0229 47 GLY E CA 6121 C C . GLY E 42 ? 0.3987 0.3209 0.6752 0.1068 0.0242 0.0278 47 GLY E C 6122 O O . GLY E 42 ? 0.4205 0.3337 0.6920 0.1191 0.0304 0.0358 47 GLY E O 6123 N N . LYS E 43 ? 0.3049 0.2490 0.5945 0.1027 0.0160 0.0234 48 LYS E N 6124 C CA . LYS E 43 ? 0.2790 0.2425 0.5803 0.1086 0.0123 0.0260 48 LYS E CA 6125 C C . LYS E 43 ? 0.2799 0.2371 0.5871 0.1075 0.0165 0.0215 48 LYS E C 6126 O O . LYS E 43 ? 0.2723 0.2159 0.5756 0.1002 0.0203 0.0152 48 LYS E O 6127 C CB . LYS E 43 ? 0.2968 0.2833 0.6040 0.1010 0.0036 0.0225 48 LYS E CB 6128 C CG . LYS E 43 ? 0.4940 0.4980 0.7977 0.1033 -0.0016 0.0283 48 LYS E CG 6129 C CD . LYS E 43 ? 0.6352 0.6285 0.9284 0.0965 -0.0025 0.0257 48 LYS E CD 6130 C CE . LYS E 43 ? 0.8161 0.7954 1.0993 0.1049 0.0015 0.0333 48 LYS E CE 6131 N NZ . LYS E 43 ? 0.9236 0.8832 1.1979 0.0973 0.0047 0.0283 48 LYS E NZ 6132 N N . GLY E 44 ? 0.1995 0.1711 0.5159 0.1145 0.0159 0.0248 49 GLY E N 6133 C CA . GLY E 44 ? 0.1751 0.1420 0.4971 0.1141 0.0200 0.0210 49 GLY E CA 6134 C C . GLY E 44 ? 0.1778 0.1517 0.5058 0.1031 0.0159 0.0125 49 GLY E C 6135 O O . GLY E 44 ? 0.1764 0.1642 0.5066 0.0975 0.0101 0.0106 49 GLY E O 6136 N N . PRO E 45 ? 0.1177 0.0931 0.4176 0.0662 0.0195 0.0082 50 PRO E N 6137 C CA . PRO E 45 ? 0.0987 0.0815 0.3947 0.0512 0.0168 0.0030 50 PRO E CA 6138 C C . PRO E 45 ? 0.1191 0.1068 0.4424 0.0745 0.0146 0.0018 50 PRO E C 6139 O O . PRO E 45 ? 0.1217 0.1170 0.4531 0.0812 0.0155 0.0046 50 PRO E O 6140 C CB . PRO E 45 ? 0.1093 0.0843 0.4116 0.0570 0.0219 0.0000 50 PRO E CB 6141 C CG . PRO E 45 ? 0.1566 0.1042 0.4749 0.0879 0.0291 -0.0005 50 PRO E CG 6142 C CD . PRO E 45 ? 0.1327 0.0931 0.4317 0.0719 0.0278 0.0080 50 PRO E CD 6143 N N . GLU E 46 ? 0.0860 0.0792 0.3840 0.0442 0.0118 -0.0008 51 GLU E N 6144 C CA . GLU E 46 ? 0.0822 0.0811 0.3856 0.0433 0.0112 -0.0037 51 GLU E CA 6145 C C . GLU E 46 ? 0.1081 0.0974 0.4324 0.0638 0.0173 -0.0085 51 GLU E C 6146 O O . GLU E 46 ? 0.1086 0.0879 0.4197 0.0583 0.0202 -0.0092 51 GLU E O 6147 C CB . GLU E 46 ? 0.0915 0.0909 0.4032 0.0528 0.0103 -0.0070 51 GLU E CB 6148 C CG . GLU E 46 ? 0.2527 0.2611 0.5771 0.0561 0.0128 -0.0132 51 GLU E CG 6149 C CD . GLU E 46 ? 0.6315 0.6276 0.9385 0.0440 0.0164 -0.0188 51 GLU E CD 6150 O OE1 . GLU E 46 ? 0.5912 0.5746 0.8869 0.0336 0.0241 -0.0250 51 GLU E OE1 6151 O OE2 . GLU E 46 ? 0.6400 0.6357 0.9418 0.0445 0.0133 -0.0171 51 GLU E OE2 6152 N N . PHE E 47 ? 0.0808 0.0787 0.3907 0.0409 0.0170 -0.0078 52 PHE E N 6153 C CA . PHE E 47 ? 0.0808 0.0736 0.3889 0.0376 0.0220 -0.0101 52 PHE E CA 6154 C C . PHE E 47 ? 0.1220 0.0952 0.4483 0.0648 0.0307 -0.0177 52 PHE E C 6155 O O . PHE E 47 ? 0.1290 0.1075 0.4504 0.0542 0.0306 -0.0209 52 PHE E O 6156 C CB . PHE E 47 ? 0.0911 0.0920 0.4216 0.0520 0.0237 -0.0114 52 PHE E CB 6157 C CG . PHE E 47 ? 0.0996 0.0933 0.4349 0.0558 0.0304 -0.0153 52 PHE E CG 6158 C CD1 . PHE E 47 ? 0.1165 0.0986 0.4536 0.0662 0.0341 -0.0150 52 PHE E CD1 6159 C CD2 . PHE E 47 ? 0.1084 0.1060 0.4541 0.0585 0.0355 -0.0214 52 PHE E CD2 6160 C CE1 . PHE E 47 ? 0.1233 0.0975 0.4586 0.0675 0.0405 -0.0173 52 PHE E CE1 6161 C CE2 . PHE E 47 ? 0.1393 0.1241 0.4789 0.0555 0.0431 -0.0243 52 PHE E CE2 6162 C CZ . PHE E 47 ? 0.1152 0.0895 0.4472 0.0581 0.0447 -0.0208 52 PHE E CZ 6163 N N . LEU E 48 ? 0.1000 0.0715 0.3976 0.0427 0.0342 -0.0137 53 LEU E N 6164 C CA . LEU E 48 ? 0.1091 0.0658 0.3916 0.0403 0.0439 -0.0152 53 LEU E CA 6165 C C . LEU E 48 ? 0.1616 0.0852 0.4545 0.0647 0.0551 -0.0214 53 LEU E C 6166 O O . LEU E 48 ? 0.1769 0.0911 0.4599 0.0525 0.0620 -0.0264 53 LEU E O 6167 C CB . LEU E 48 ? 0.1126 0.0653 0.3776 0.0416 0.0467 -0.0097 53 LEU E CB 6168 C CG . LEU E 48 ? 0.1344 0.0769 0.4102 0.0580 0.0426 -0.0117 53 LEU E CG 6169 C CD1 . LEU E 48 ? 0.1313 0.0773 0.3905 0.0580 0.0450 -0.0051 53 LEU E CD1 6170 C CD2 . LEU E 48 ? 0.1601 0.0790 0.4367 0.0636 0.0464 -0.0192 53 LEU E CD2 6171 N N . PHE E 49 ? 0.1282 0.0739 0.4104 0.0523 0.0526 -0.0129 54 PHE E N 6172 C CA . PHE E 49 ? 0.1385 0.0744 0.4155 0.0551 0.0610 -0.0127 54 PHE E CA 6173 C C . PHE E 49 ? 0.1477 0.0880 0.4413 0.0691 0.0579 -0.0127 54 PHE E C 6174 O O . PHE E 49 ? 0.1332 0.0892 0.4281 0.0660 0.0504 -0.0097 54 PHE E O 6175 C CB . PHE E 49 ? 0.1834 0.0851 0.4446 0.0767 0.0745 -0.0104 54 PHE E CB 6176 C CG . PHE E 49 ? 0.2328 0.0987 0.4795 0.0837 0.0845 -0.0140 54 PHE E CG 6177 C CD1 . PHE E 49 ? 0.3012 0.1441 0.5314 0.0687 0.0949 -0.0205 54 PHE E CD1 6178 C CD2 . PHE E 49 ? 0.2690 0.1339 0.5099 0.0939 0.0840 -0.0091 54 PHE E CD2 6179 C CE1 . PHE E 49 ? 0.3417 0.1571 0.5480 0.0627 0.1054 -0.0231 54 PHE E CE1 6180 C CE2 . PHE E 49 ? 0.3298 0.1682 0.5487 0.0909 0.0939 -0.0103 54 PHE E CE2 6181 C CZ . PHE E 49 ? 0.3327 0.1444 0.5333 0.0750 0.1050 -0.0176 54 PHE E CZ 6182 N N . THR E 50 ? 0.1207 0.0721 0.4005 0.0479 0.0608 -0.0099 55 THR E N 6183 C CA . THR E 50 ? 0.1171 0.0755 0.4006 0.0495 0.0591 -0.0084 55 THR E CA 6184 C C . THR E 50 ? 0.1607 0.0926 0.4427 0.0756 0.0724 -0.0090 55 THR E C 6185 O O . THR E 50 ? 0.1706 0.0851 0.4417 0.0716 0.0819 -0.0105 55 THR E O 6186 C CB . THR E 50 ? 0.1897 0.1372 0.5158 0.0805 0.0612 -0.0196 55 THR E CB 6187 O OG1 . THR E 50 ? 0.2074 0.1681 0.5454 0.0787 0.0534 -0.0200 55 THR E OG1 6188 C CG2 . THR E 50 ? 0.1765 0.1308 0.5085 0.0856 0.0612 -0.0191 55 THR E CG2 6189 N N . LEU E 51 ? 0.1340 0.0858 0.3966 0.0629 0.0684 -0.0002 56 LEU E N 6190 C CA . LEU E 51 ? 0.1502 0.0933 0.3979 0.0738 0.0778 0.0055 56 LEU E CA 6191 C C . LEU E 51 ? 0.1675 0.1157 0.4376 0.0946 0.0768 0.0008 56 LEU E C 6192 O O . LEU E 51 ? 0.1540 0.1200 0.4327 0.0922 0.0685 -0.0010 56 LEU E O 6193 C CB . LEU E 51 ? 0.1676 0.1072 0.4006 0.0903 0.0824 0.0133 56 LEU E CB 6194 C CG . LEU E 51 ? 0.2284 0.1288 0.4751 0.1260 0.0933 0.0080 56 LEU E CG 6195 C CD1 . LEU E 51 ? 0.2287 0.1452 0.4760 0.1384 0.0894 0.0136 56 LEU E CD1 6196 C CD2 . LEU E 51 ? 0.2921 0.1538 0.5138 0.1362 0.1118 0.0116 56 LEU E CD2 6197 N N . TYR E 52 ? 0.1482 0.0974 0.3989 0.0751 0.0803 0.0050 57 TYR E N 6198 C CA . TYR E 52 ? 0.1457 0.1046 0.4039 0.0785 0.0781 0.0029 57 TYR E CA 6199 C C . TYR E 52 ? 0.2229 0.1777 0.4961 0.1271 0.0900 0.0034 57 TYR E C 6200 O O . TYR E 52 ? 0.2119 0.1886 0.4884 0.1272 0.0863 0.0030 57 TYR E O 6201 C CB . TYR E 52 ? 0.1504 0.1009 0.4229 0.0765 0.0820 -0.0037 57 TYR E CB 6202 C CG . TYR E 52 ? 0.1498 0.0979 0.4425 0.0736 0.0792 -0.0111 57 TYR E CG 6203 C CD1 . TYR E 52 ? 0.1530 0.1088 0.4697 0.0818 0.0738 -0.0173 57 TYR E CD1 6204 C CD2 . TYR E 52 ? 0.1601 0.0935 0.4533 0.0730 0.0853 -0.0141 57 TYR E CD2 6205 C CE1 . TYR E 52 ? 0.1553 0.1120 0.4905 0.0844 0.0721 -0.0219 57 TYR E CE1 6206 C CE2 . TYR E 52 ? 0.1591 0.0947 0.4713 0.0727 0.0824 -0.0209 57 TYR E CE2 6207 C CZ . TYR E 52 ? 0.2523 0.2028 0.5859 0.0792 0.0752 -0.0235 57 TYR E CZ 6208 O OH . TYR E 52 ? 0.2664 0.2293 0.6116 0.0728 0.0715 -0.0257 57 TYR E OH 6209 N N . SER E 53 ? 0.2346 0.1698 0.4890 0.1379 0.1005 0.0108 58 SER E N 6210 C CA . SER E 53 ? 0.2640 0.1991 0.5005 0.1531 0.1098 0.0204 58 SER E CA 6211 C C . SER E 53 ? 0.3431 0.2753 0.5598 0.1738 0.1179 0.0334 58 SER E C 6212 O O . SER E 53 ? 0.3536 0.2603 0.5609 0.1753 0.1239 0.0343 58 SER E O 6213 C CB . SER E 53 ? 0.3447 0.2470 0.5706 0.1483 0.1214 0.0182 58 SER E CB 6214 O OG . SER E 53 ? 0.4670 0.3789 0.6879 0.1542 0.1246 0.0219 58 SER E OG 6215 N N . ALA E 54 ? 0.3097 0.2691 0.5184 0.1903 0.1193 0.0439 59 ALA E N 6216 C CA . ALA E 54 ? 0.3368 0.3010 0.5266 0.2149 0.1280 0.0590 59 ALA E CA 6217 C C . ALA E 54 ? 0.4500 0.3608 0.6104 0.2276 0.1489 0.0666 59 ALA E C 6218 O O . ALA E 54 ? 0.4660 0.3486 0.6163 0.2233 0.1580 0.0645 59 ALA E O 6219 C CB . ALA E 54 ? 0.3420 0.3550 0.5299 0.2299 0.1251 0.0695 59 ALA E CB 6220 N N . GLY E 55 ? 0.4340 0.3279 0.5786 0.2419 0.1580 0.0745 63 GLY E N 6221 C CA . GLY E 55 ? 0.4775 0.3115 0.5893 0.2509 0.1808 0.0797 63 GLY E CA 6222 C C . GLY E 55 ? 0.5314 0.3255 0.6448 0.2245 0.1821 0.0640 63 GLY E C 6223 O O . GLY E 55 ? 0.5728 0.3137 0.6577 0.2237 0.2016 0.0640 63 GLY E O 6224 N N . GLU E 56 ? 0.4422 0.2627 0.5871 0.2021 0.1625 0.0506 64 GLU E N 6225 C CA . GLU E 56 ? 0.4380 0.2336 0.5878 0.1777 0.1611 0.0367 64 GLU E CA 6226 C C . GLU E 56 ? 0.5073 0.2940 0.6517 0.1797 0.1619 0.0372 64 GLU E C 6227 O O . GLU E 56 ? 0.4854 0.2993 0.6356 0.1946 0.1557 0.0449 64 GLU E O 6228 C CB . GLU E 56 ? 0.4108 0.2396 0.5951 0.1573 0.1411 0.0246 64 GLU E CB 6229 C CG . GLU E 56 ? 0.5002 0.3186 0.6895 0.1401 0.1429 0.0156 64 GLU E CG 6230 C CD . GLU E 56 ? 0.6522 0.4960 0.8717 0.1212 0.1264 0.0043 64 GLU E CD 6231 O OE1 . GLU E 56 ? 0.5666 0.4066 0.7900 0.1114 0.1229 -0.0007 64 GLU E OE1 6232 O OE2 . GLU E 56 ? 0.5294 0.3952 0.7661 0.1177 0.1185 0.0015 64 GLU E OE2 6233 N N . GLU E 57 ? 0.4910 0.2422 0.6243 0.1617 0.1694 0.0277 65 GLU E N 6234 C CA . GLU E 57 ? 0.4933 0.2342 0.6216 0.1586 0.1698 0.0254 65 GLU E CA 6235 C C . GLU E 57 ? 0.5313 0.2548 0.6613 0.1284 0.1689 0.0099 65 GLU E C 6236 O O . GLU E 57 ? 0.5653 0.2604 0.6799 0.1137 0.1810 0.0034 65 GLU E O 6237 C CB . GLU E 57 ? 0.5573 0.2609 0.6485 0.1817 0.1918 0.0378 65 GLU E CB 6238 C CG . GLU E 57 ? 0.7641 0.4114 0.8152 0.1872 0.2191 0.0418 65 GLU E CG 6239 C CD . GLU E 57 ? 1.1286 0.7397 1.1411 0.2173 0.2429 0.0577 65 GLU E CD 6240 O OE1 . GLU E 57 ? 1.0316 0.6785 1.0532 0.2434 0.2364 0.0712 65 GLU E OE1 6241 O OE2 . GLU E 57 ? 1.1516 0.6982 1.1227 0.2148 0.2699 0.0569 65 GLU E OE2 6242 N N . LYS E 58 ? 0.4311 0.1773 0.5806 0.1184 0.1541 0.0042 66 LYS E N 6243 C CA . LYS E 58 ? 0.4090 0.1522 0.5633 0.0914 0.1501 -0.0091 66 LYS E CA 6244 C C . LYS E 58 ? 0.4637 0.1870 0.6008 0.0917 0.1560 -0.0092 66 LYS E C 6245 O O . LYS E 58 ? 0.4356 0.1681 0.5740 0.1117 0.1533 0.0001 66 LYS E O 6246 C CB . LYS E 58 ? 0.3774 0.1686 0.5707 0.0810 0.1270 -0.0146 66 LYS E CB 6247 C CG . LYS E 58 ? 0.3986 0.2134 0.6115 0.0842 0.1197 -0.0135 66 LYS E CG 6248 C CD . LYS E 58 ? 0.4440 0.2546 0.6574 0.0651 0.1242 -0.0220 66 LYS E CD 6249 C CE . LYS E 58 ? 0.4636 0.3123 0.7073 0.0525 0.1083 -0.0282 66 LYS E CE 6250 N NZ . LYS E 58 ? 0.4190 0.2895 0.6820 0.0591 0.1016 -0.0262 66 LYS E NZ 6251 N N . GLU E 59 ? 0.4580 0.1534 0.5755 0.0700 0.1665 -0.0193 67 GLU E N 6252 C CA . GLU E 59 ? 0.4818 0.1549 0.5798 0.0687 0.1738 -0.0203 67 GLU E CA 6253 C C . GLU E 59 ? 0.5239 0.2090 0.6283 0.0391 0.1662 -0.0339 67 GLU E C 6254 O O . GLU E 59 ? 0.5340 0.2149 0.6329 0.0156 0.1707 -0.0441 67 GLU E O 6255 C CB . GLU E 59 ? 0.5643 0.1727 0.6132 0.0747 0.2046 -0.0174 67 GLU E CB 6256 C CG . GLU E 59 ? 0.7459 0.3284 0.7718 0.0921 0.2161 -0.0100 67 GLU E CG 6257 C CD . GLU E 59 ? 1.1948 0.7044 1.1659 0.0972 0.2507 -0.0078 67 GLU E CD 6258 O OE1 . GLU E 59 ? 1.2190 0.6891 1.1625 0.0697 0.2670 -0.0206 67 GLU E OE1 6259 O OE2 . GLU E 59 ? 1.1744 0.6658 1.1274 0.1288 0.2634 0.0071 67 GLU E OE2 6260 N N . LYS E 60 ? 0.4578 0.1620 0.5738 0.0400 0.1545 -0.0338 68 LYS E N 6261 C CA . LYS E 60 ? 0.4521 0.1690 0.5706 0.0135 0.1484 -0.0454 68 LYS E CA 6262 C C . LYS E 60 ? 0.5125 0.2151 0.6173 0.0182 0.1513 -0.0439 68 LYS E C 6263 O O . LYS E 60 ? 0.4830 0.2080 0.6065 0.0362 0.1390 -0.0358 68 LYS E O 6264 C CB . LYS E 60 ? 0.4302 0.2036 0.5886 0.0066 0.1246 -0.0474 68 LYS E CB 6265 C CG . LYS E 60 ? 0.5622 0.3528 0.7197 -0.0228 0.1213 -0.0592 68 LYS E CG 6266 C CD . LYS E 60 ? 0.5972 0.4366 0.7858 -0.0211 0.0994 -0.0570 68 LYS E CD 6267 C CE . LYS E 60 ? 0.5956 0.4756 0.7975 -0.0442 0.0913 -0.0649 68 LYS E CE 6268 N NZ . LYS E 60 ? 0.6166 0.5178 0.8390 -0.0396 0.0870 -0.0626 68 LYS E NZ 6269 N N . GLU E 61 ? 0.5120 0.1764 0.5819 -0.0008 0.1688 -0.0530 74 GLU E N 6270 C CA . GLU E 61 ? 0.5273 0.1694 0.5768 0.0007 0.1760 -0.0532 74 GLU E CA 6271 C C . GLU E 61 ? 0.5772 0.1927 0.6131 0.0349 0.1872 -0.0388 74 GLU E C 6272 O O . GLU E 61 ? 0.5948 0.1725 0.6061 0.0486 0.2066 -0.0329 74 GLU E O 6273 C CB . GLU E 61 ? 0.5070 0.1971 0.5854 -0.0082 0.1529 -0.0562 74 GLU E CB 6274 C CG . GLU E 61 ? 0.6882 0.3945 0.7633 -0.0435 0.1498 -0.0707 74 GLU E CG 6275 C CD . GLU E 61 ? 0.9768 0.7375 1.0838 -0.0466 0.1256 -0.0701 74 GLU E CD 6276 O OE1 . GLU E 61 ? 0.9644 0.7199 1.0592 -0.0534 0.1263 -0.0732 74 GLU E OE1 6277 O OE2 . GLU E 61 ? 0.8050 0.6109 0.9472 -0.0406 0.1074 -0.0658 74 GLU E OE2 6278 N N . ARG E 62 ? 0.4986 0.1398 0.5524 0.0491 0.1740 -0.0324 75 ARG E N 6279 C CA . ARG E 62 ? 0.4852 0.1172 0.5321 0.0809 0.1810 -0.0184 75 ARG E CA 6280 C C . ARG E 62 ? 0.4582 0.1276 0.5340 0.1037 0.1682 -0.0069 75 ARG E C 6281 O O . ARG E 62 ? 0.4545 0.1297 0.5291 0.1297 0.1715 0.0053 75 ARG E O 6282 C CB . ARG E 62 ? 0.4647 0.1131 0.5194 0.0823 0.1716 -0.0179 75 ARG E CB 6283 C CG . ARG E 62 ? 0.6044 0.2160 0.6274 0.0605 0.1853 -0.0290 75 ARG E CG 6284 C CD . ARG E 62 ? 0.6498 0.2738 0.6773 0.0673 0.1786 -0.0262 75 ARG E CD 6285 N NE . ARG E 62 ? 0.7034 0.3741 0.7626 0.0503 0.1538 -0.0324 75 ARG E NE 6286 C CZ . ARG E 62 ? 0.8633 0.5390 0.9194 0.0202 0.1495 -0.0454 75 ARG E CZ 6287 N NH1 . ARG E 62 ? 0.6930 0.3307 0.7164 -0.0007 0.1679 -0.0558 75 ARG E NH1 6288 N NH2 . ARG E 62 ? 0.6939 0.4142 0.7778 0.0107 0.1279 -0.0476 75 ARG E NH2 6289 N N . LEU E 63 ? 0.3462 0.0680 0.4450 0.0839 0.1526 -0.0071 76 LEU E N 6290 C CA . LEU E 63 ? 0.2996 0.0748 0.4197 0.0898 0.1389 0.0048 76 LEU E CA 6291 C C . LEU E 63 ? 0.3467 0.0830 0.4645 0.1085 0.1498 0.0031 76 LEU E C 6292 O O . LEU E 63 ? 0.3486 0.0710 0.4563 0.0897 0.1564 -0.0041 76 LEU E O 6293 C CB . LEU E 63 ? 0.2466 0.0717 0.4030 0.0767 0.1138 0.0009 76 LEU E CB 6294 C CG . LEU E 63 ? 0.2675 0.0796 0.4430 0.0902 0.1041 -0.0061 76 LEU E CG 6295 C CD1 . LEU E 63 ? 0.2285 0.0778 0.4355 0.0806 0.0843 -0.0099 76 LEU E CD1 6296 C CD2 . LEU E 63 ? 0.2864 0.0994 0.4639 0.1175 0.1057 0.0027 76 LEU E CD2 6297 N N . LYS E 64 ? 0.3142 0.0911 0.4270 0.1145 0.1482 0.0200 77 LYS E N 6298 C CA . LYS E 64 ? 0.3227 0.0940 0.4276 0.1200 0.1559 0.0249 77 LYS E CA 6299 C C . LYS E 64 ? 0.3329 0.1218 0.4731 0.1515 0.1428 0.0267 77 LYS E C 6300 O O . LYS E 64 ? 0.3310 0.1417 0.4742 0.1696 0.1402 0.0362 77 LYS E O 6301 C CB . LYS E 64 ? 0.3979 0.1065 0.4665 0.1499 0.1848 0.0320 77 LYS E CB 6302 C CG . LYS E 64 ? 0.5626 0.2060 0.6163 0.1668 0.2045 0.0269 77 LYS E CG 6303 C CD . LYS E 64 ? 0.7235 0.3650 0.7615 0.2026 0.2174 0.0456 77 LYS E CD 6304 C CE . LYS E 64 ? 0.9072 0.4838 0.8979 0.2131 0.2494 0.0514 77 LYS E CE 6305 N NZ . LYS E 64 ? 1.0222 0.6131 1.0047 0.2519 0.2575 0.0723 77 LYS E NZ 6306 N N . ALA E 65 ? 0.2774 0.1047 0.4255 0.1213 0.1308 0.0255 78 ALA E N 6307 C CA . ALA E 65 ? 0.2450 0.1145 0.4076 0.1220 0.1170 0.0313 78 ALA E CA 6308 C C . ALA E 65 ? 0.2939 0.1377 0.4562 0.1552 0.1303 0.0349 78 ALA E C 6309 O O . ALA E 65 ? 0.3143 0.1253 0.4646 0.1498 0.1417 0.0306 78 ALA E O 6310 C CB . ALA E 65 ? 0.2117 0.1053 0.4045 0.1042 0.0989 0.0208 78 ALA E CB 6311 N N . THR E 66 ? 0.2550 0.1427 0.3990 0.1477 0.1249 0.0501 79 THR E N 6312 C CA . THR E 66 ? 0.2728 0.1588 0.4060 0.1654 0.1339 0.0589 79 THR E CA 6313 C C . THR E 66 ? 0.2752 0.1963 0.4532 0.1905 0.1205 0.0537 79 THR E C 6314 O O . THR E 66 ? 0.2508 0.2027 0.4486 0.1843 0.1065 0.0493 79 THR E O 6315 C CB . THR E 66 ? 0.3926 0.2452 0.5309 0.2408 0.1573 0.0693 79 THR E CB 6316 O OG1 . THR E 66 ? 0.4228 0.3269 0.5746 0.2543 0.1474 0.0773 79 THR E OG1 6317 C CG2 . THR E 66 ? 0.4042 0.1999 0.5079 0.2394 0.1773 0.0706 79 THR E CG2 6318 N N . LEU E 67 ? 0.2536 0.1848 0.4102 0.1750 0.1211 0.0601 80 LEU E N 6319 C CA . LEU E 67 ? 0.2287 0.1991 0.4038 0.1724 0.1076 0.0575 80 LEU E CA 6320 C C . LEU E 67 ? 0.2880 0.2759 0.4836 0.2282 0.1198 0.0659 80 LEU E C 6321 O O . LEU E 67 ? 0.3177 0.2711 0.4929 0.2381 0.1346 0.0715 80 LEU E O 6322 C CB . LEU E 67 ? 0.2088 0.1723 0.4020 0.1481 0.0990 0.0435 80 LEU E CB 6323 C CG . LEU E 67 ? 0.2111 0.2094 0.4496 0.1681 0.0907 0.0339 80 LEU E CG 6324 C CD1 . LEU E 67 ? 0.1889 0.2222 0.4409 0.1630 0.0792 0.0310 80 LEU E CD1 6325 C CD2 . LEU E 67 ? 0.2251 0.2078 0.4812 0.1549 0.0879 0.0214 80 LEU E CD2 6326 N N . THR E 68 ? 0.2507 0.2946 0.4531 0.2306 0.1100 0.0709 81 THR E N 6327 C CA . THR E 68 ? 0.2664 0.3450 0.4630 0.2513 0.1142 0.0827 81 THR E CA 6328 C C . THR E 68 ? 0.3248 0.4449 0.5411 0.2302 0.0993 0.0718 81 THR E C 6329 O O . THR E 68 ? 0.3100 0.4254 0.5436 0.2058 0.0889 0.0568 81 THR E O 6330 C CB . THR E 68 ? 0.3315 0.4475 0.5160 0.2809 0.1203 0.1015 81 THR E CB 6331 O OG1 . THR E 68 ? 0.3058 0.4811 0.5091 0.2710 0.1055 0.0977 81 THR E OG1 6332 C CG2 . THR E 68 ? 0.3269 0.3967 0.4895 0.3012 0.1371 0.1113 81 THR E CG2 6333 N N . LYS E 69 ? 0.3072 0.4674 0.5182 0.2402 0.0997 0.0799 82 LYS E N 6334 C CA . LYS E 69 ? 0.2941 0.4950 0.5176 0.2204 0.0885 0.0701 82 LYS E CA 6335 C C . LYS E 69 ? 0.3281 0.5751 0.5664 0.2023 0.0758 0.0615 82 LYS E C 6336 O O . LYS E 69 ? 0.3204 0.5810 0.5679 0.1773 0.0681 0.0476 82 LYS E O 6337 C CB . LYS E 69 ? 0.3478 0.5878 0.5584 0.2383 0.0930 0.0834 82 LYS E CB 6338 C CG . LYS E 69 ? 0.5787 0.8061 0.7892 0.2251 0.0929 0.0753 82 LYS E CG 6339 C CD . LYS E 69 ? 0.7334 0.8967 0.9308 0.2354 0.1063 0.0789 82 LYS E CD 6340 C CE . LYS E 69 ? 0.8537 1.0043 1.0533 0.2205 0.1059 0.0696 82 LYS E CE 6341 N NZ . LYS E 69 ? 0.9472 1.0789 1.1661 0.1910 0.0971 0.0498 82 LYS E NZ 6342 N N . LYS E 70 ? 0.2716 0.5387 0.5099 0.2136 0.0755 0.0691 85 LYS E N 6343 C CA . LYS E 70 ? 0.2460 0.5581 0.4962 0.1955 0.0650 0.0612 85 LYS E CA 6344 C C . LYS E 70 ? 0.2729 0.5568 0.5298 0.1908 0.0633 0.0567 85 LYS E C 6345 O O . LYS E 70 ? 0.2599 0.5655 0.5266 0.1700 0.0553 0.0463 85 LYS E O 6346 C CB . LYS E 70 ? 0.2817 0.6723 0.5275 0.2102 0.0638 0.0745 85 LYS E CB 6347 C CG . LYS E 70 ? 0.4115 0.8112 0.6471 0.2459 0.0727 0.0952 85 LYS E CG 6348 C CD . LYS E 70 ? 0.5344 1.0099 0.7617 0.2700 0.0751 0.1137 85 LYS E CD 6349 C CE . LYS E 70 ? 0.6511 1.2123 0.8889 0.2574 0.0648 0.1119 85 LYS E CE 6350 N NZ . LYS E 70 ? 0.7145 1.3560 0.9441 0.2862 0.0680 0.1334 85 LYS E NZ 6351 N N . GLU E 71 ? 0.2147 0.4503 0.4637 0.2084 0.0720 0.0639 86 GLU E N 6352 C CA . GLU E 71 ? 0.1926 0.4042 0.4463 0.2041 0.0706 0.0600 86 GLU E CA 6353 C C . GLU E 71 ? 0.2223 0.3655 0.4692 0.2071 0.0784 0.0582 86 GLU E C 6354 O O . GLU E 71 ? 0.2373 0.3499 0.4740 0.2141 0.0867 0.0610 86 GLU E O 6355 C CB . GLU E 71 ? 0.2158 0.4659 0.4645 0.2241 0.0734 0.0734 86 GLU E CB 6356 C CG . GLU E 71 ? 0.3439 0.5927 0.5729 0.2600 0.0878 0.0937 86 GLU E CG 6357 C CD . GLU E 71 ? 0.6864 1.0026 0.9133 0.2808 0.0886 0.1088 86 GLU E CD 6358 O OE1 . GLU E 71 ? 0.6360 0.9961 0.8558 0.2987 0.0918 0.1217 86 GLU E OE1 6359 O OE2 . GLU E 71 ? 0.6825 1.0125 0.9151 0.2790 0.0858 0.1082 86 GLU E OE2 6360 N N . SER E 72 ? 0.1738 0.2830 0.3993 0.1803 0.0734 0.0544 87 SER E N 6361 C CA . SER E 72 ? 0.1831 0.2370 0.3921 0.1679 0.0785 0.0524 87 SER E CA 6362 C C . SER E 72 ? 0.2114 0.2699 0.4429 0.1984 0.0841 0.0543 87 SER E C 6363 O O . SER E 72 ? 0.1900 0.2776 0.4283 0.1889 0.0751 0.0521 87 SER E O 6364 C CB . SER E 72 ? 0.1774 0.2162 0.4165 0.1552 0.0716 0.0362 87 SER E CB 6365 O OG . SER E 72 ? 0.2301 0.2305 0.4843 0.1688 0.0787 0.0306 87 SER E OG 6366 N N . PHE E 73 ? 0.2195 0.2325 0.4052 0.1860 0.0953 0.0626 88 PHE E N 6367 C CA . PHE E 73 ? 0.2289 0.2303 0.4016 0.1899 0.1006 0.0670 88 PHE E CA 6368 C C . PHE E 73 ? 0.2569 0.2153 0.4506 0.1947 0.1045 0.0540 88 PHE E C 6369 O O . PHE E 73 ? 0.2690 0.1947 0.4570 0.1875 0.1104 0.0490 88 PHE E O 6370 C CB . PHE E 73 ? 0.2755 0.2688 0.4331 0.2323 0.1207 0.0833 88 PHE E CB 6371 C CG . PHE E 73 ? 0.2803 0.3323 0.4521 0.2654 0.1204 0.0958 88 PHE E CG 6372 C CD1 . PHE E 73 ? 0.2941 0.3923 0.4875 0.2887 0.1183 0.1010 88 PHE E CD1 6373 C CD2 . PHE E 73 ? 0.2940 0.3691 0.4781 0.2894 0.1241 0.1015 88 PHE E CD2 6374 C CE1 . PHE E 73 ? 0.2997 0.4644 0.4967 0.3067 0.1165 0.1140 88 PHE E CE1 6375 C CE2 . PHE E 73 ? 0.3220 0.4621 0.5089 0.3083 0.1222 0.1149 88 PHE E CE2 6376 C CZ . PHE E 73 ? 0.2897 0.4767 0.4833 0.3165 0.1182 0.1210 88 PHE E CZ 6377 N N . LEU E 74 ? 0.2210 0.1844 0.3956 0.1618 0.0966 0.0532 89 LEU E N 6378 C CA . LEU E 74 ? 0.2248 0.1573 0.3977 0.1471 0.0986 0.0448 89 LEU E CA 6379 C C . LEU E 74 ? 0.2951 0.1922 0.4725 0.1962 0.1170 0.0479 89 LEU E C 6380 O O . LEU E 74 ? 0.2885 0.2065 0.4711 0.2028 0.1132 0.0512 89 LEU E O 6381 C CB . LEU E 74 ? 0.1918 0.1395 0.3844 0.1229 0.0817 0.0339 89 LEU E CB 6382 C CG . LEU E 74 ? 0.2289 0.1375 0.4411 0.1349 0.0860 0.0219 89 LEU E CG 6383 C CD1 . LEU E 74 ? 0.2360 0.1242 0.4502 0.1270 0.0891 0.0152 89 LEU E CD1 6384 C CD2 . LEU E 74 ? 0.2251 0.1418 0.4666 0.1366 0.0735 0.0132 89 LEU E CD2 6385 N N . HIS E 75 ? 0.3102 0.1705 0.4484 0.1867 0.1341 0.0529 90 HIS E N 6386 C CA . HIS E 75 ? 0.3545 0.1772 0.4660 0.2063 0.1542 0.0592 90 HIS E CA 6387 C C . HIS E 75 ? 0.4055 0.1836 0.5234 0.2023 0.1564 0.0435 90 HIS E C 6388 O O . HIS E 75 ? 0.4062 0.1591 0.5211 0.1797 0.1566 0.0317 90 HIS E O 6389 C CB . HIS E 75 ? 0.4109 0.1852 0.4938 0.2301 0.1793 0.0665 90 HIS E CB 6390 C CG . HIS E 75 ? 0.4469 0.2443 0.5415 0.2643 0.1811 0.0779 90 HIS E CG 6391 N ND1 . HIS E 75 ? 0.4836 0.3073 0.5700 0.2971 0.1890 0.0959 90 HIS E ND1 6392 C CD2 . HIS E 75 ? 0.4632 0.2724 0.5681 0.2588 0.1754 0.0760 90 HIS E CD2 6393 C CE1 . HIS E 75 ? 0.4727 0.3257 0.5645 0.3100 0.1871 0.1044 90 HIS E CE1 6394 N NE2 . HIS E 75 ? 0.4648 0.3073 0.5670 0.2874 0.1793 0.0925 90 HIS E NE2 6395 N N . ILE E 76 ? 0.3719 0.1635 0.4837 0.2001 0.1548 0.0473 91 ILE E N 6396 C CA . ILE E 76 ? 0.3815 0.1435 0.4866 0.1848 0.1565 0.0362 91 ILE E CA 6397 C C . ILE E 76 ? 0.4797 0.1888 0.5464 0.2057 0.1837 0.0424 91 ILE E C 6398 O O . ILE E 76 ? 0.4689 0.1922 0.5310 0.2307 0.1896 0.0549 91 ILE E O 6399 C CB . ILE E 76 ? 0.3840 0.1815 0.5199 0.1774 0.1358 0.0304 91 ILE E CB 6400 C CG1 . ILE E 76 ? 0.4068 0.1761 0.5300 0.1587 0.1382 0.0204 91 ILE E CG1 6401 C CG2 . ILE E 76 ? 0.3820 0.2211 0.5292 0.1989 0.1315 0.0422 91 ILE E CG2 6402 C CD1 . ILE E 76 ? 0.4237 0.2235 0.5746 0.1381 0.1162 0.0115 91 ILE E CD1 6403 N N . THR E 77 ? 0.4953 0.1470 0.5303 0.1923 0.2020 0.0346 92 THR E N 6404 C CA . THR E 77 ? 0.5631 0.1542 0.5511 0.2050 0.2325 0.0393 92 THR E CA 6405 C C . THR E 77 ? 0.6224 0.1905 0.5983 0.1821 0.2340 0.0266 92 THR E C 6406 O O . THR E 77 ? 0.6014 0.1737 0.5881 0.1491 0.2217 0.0109 92 THR E O 6407 C CB . THR E 77 ? 0.7515 0.2870 0.7040 0.2052 0.2570 0.0392 92 THR E CB 6408 O OG1 . THR E 77 ? 0.8269 0.3581 0.7880 0.1687 0.2478 0.0217 92 THR E OG1 6409 C CG2 . THR E 77 ? 0.6951 0.2494 0.6517 0.2363 0.2606 0.0560 92 THR E CG2 6410 N N . ALA E 78 ? 0.6017 0.1511 0.5559 0.2011 0.2488 0.0347 93 ALA E N 6411 C CA . ALA E 78 ? 0.6168 0.1439 0.5555 0.1851 0.2530 0.0253 93 ALA E CA 6412 C C . ALA E 78 ? 0.6083 0.1852 0.5869 0.1570 0.2213 0.0130 93 ALA E C 6413 O O . ALA E 78 ? 0.6146 0.1747 0.5853 0.1252 0.2195 -0.0026 93 ALA E O 6414 C CB . ALA E 78 ? 0.6942 0.1447 0.5823 0.1655 0.2814 0.0140 93 ALA E CB 6415 N N . PRO E 79 ? 0.5057 0.1443 0.5248 0.1681 0.1977 0.0199 94 PRO E N 6416 C CA . PRO E 79 ? 0.4592 0.1388 0.5120 0.1448 0.1708 0.0101 94 PRO E CA 6417 C C . PRO E 79 ? 0.5314 0.1985 0.5731 0.1289 0.1709 0.0020 94 PRO E C 6418 O O . PRO E 79 ? 0.5544 0.1919 0.5689 0.1408 0.1886 0.0060 94 PRO E O 6419 C CB . PRO E 79 ? 0.4367 0.1728 0.5237 0.1628 0.1536 0.0205 94 PRO E CB 6420 C CG . PRO E 79 ? 0.5137 0.2422 0.5821 0.1954 0.1718 0.0356 94 PRO E CG 6421 C CD . PRO E 79 ? 0.5039 0.1796 0.5384 0.2005 0.1952 0.0367 94 PRO E CD 6422 N N . LYS E 80 ? 0.4637 0.1569 0.5273 0.1038 0.1509 -0.0084 95 LYS E N 6423 C CA . LYS E 80 ? 0.4636 0.1563 0.5223 0.0856 0.1459 -0.0166 95 LYS E CA 6424 C C . LYS E 80 ? 0.4742 0.2182 0.5694 0.0877 0.1217 -0.0132 95 LYS E C 6425 O O . LYS E 80 ? 0.4303 0.2065 0.5529 0.0958 0.1091 -0.0081 95 LYS E O 6426 C CB . LYS E 80 ? 0.5042 0.1838 0.5515 0.0534 0.1461 -0.0313 95 LYS E CB 6427 C CG . LYS E 80 ? 0.6418 0.2611 0.6434 0.0448 0.1742 -0.0378 95 LYS E CG 6428 C CD . LYS E 80 ? 0.7467 0.3627 0.7389 0.0083 0.1734 -0.0537 95 LYS E CD 6429 C CE . LYS E 80 ? 0.8959 0.4465 0.8358 -0.0070 0.2041 -0.0632 95 LYS E CE 6430 N NZ . LYS E 80 ? 1.0090 0.5274 0.9170 -0.0129 0.2181 -0.0678 95 LYS E NZ 6431 N N . PRO E 81 ? 0.4440 0.1945 0.5381 0.0803 0.1164 -0.0159 96 PRO E N 6432 C CA . PRO E 81 ? 0.4010 0.1948 0.5261 0.0825 0.0960 -0.0121 96 PRO E CA 6433 C C . PRO E 81 ? 0.4133 0.2369 0.5647 0.0698 0.0777 -0.0156 96 PRO E C 6434 O O . PRO E 81 ? 0.3768 0.2305 0.5524 0.0758 0.0646 -0.0108 96 PRO E O 6435 C CB . PRO E 81 ? 0.4371 0.2236 0.5490 0.0737 0.0968 -0.0158 96 PRO E CB 6436 C CG . PRO E 81 ? 0.5352 0.2751 0.6095 0.0759 0.1203 -0.0180 96 PRO E CG 6437 C CD . PRO E 81 ? 0.5007 0.2168 0.5626 0.0696 0.1302 -0.0224 96 PRO E CD 6438 N N . GLU E 82 ? 0.3826 0.1979 0.5275 0.0523 0.0785 -0.0236 97 GLU E N 6439 C CA . GLU E 82 ? 0.3526 0.1972 0.5205 0.0422 0.0635 -0.0259 97 GLU E CA 6440 C C . GLU E 82 ? 0.3759 0.2321 0.5627 0.0552 0.0602 -0.0204 97 GLU E C 6441 O O . GLU E 82 ? 0.3580 0.2396 0.5666 0.0527 0.0479 -0.0197 97 GLU E O 6442 C CB . GLU E 82 ? 0.3919 0.2294 0.5462 0.0193 0.0674 -0.0361 97 GLU E CB 6443 C CG . GLU E 82 ? 0.5871 0.4100 0.7161 0.0014 0.0740 -0.0442 97 GLU E CG 6444 C CD . GLU E 82 ? 0.9306 0.7023 1.0219 -0.0023 0.0977 -0.0495 97 GLU E CD 6445 O OE1 . GLU E 82 ? 0.7382 0.4868 0.8126 0.0074 0.1074 -0.0467 97 GLU E OE1 6446 O OE2 . GLU E 82 ? 0.9429 0.6955 1.0197 -0.0142 0.1085 -0.0560 97 GLU E OE2 6447 N N . ASP E 83 ? 0.3266 0.1643 0.5032 0.0701 0.0724 -0.0158 98 ASP E N 6448 C CA . ASP E 83 ? 0.3001 0.1490 0.4907 0.0827 0.0710 -0.0104 98 ASP E CA 6449 C C . ASP E 83 ? 0.3118 0.1907 0.5229 0.0940 0.0608 -0.0039 98 ASP E C 6450 O O . ASP E 83 ? 0.2886 0.1836 0.5136 0.1007 0.0571 -0.0007 98 ASP E O 6451 C CB . ASP E 83 ? 0.3527 0.1719 0.5208 0.0954 0.0896 -0.0068 98 ASP E CB 6452 C CG . ASP E 83 ? 0.5405 0.3233 0.6835 0.0812 0.1034 -0.0146 98 ASP E CG 6453 O OD1 . ASP E 83 ? 0.5679 0.3599 0.7181 0.0608 0.0955 -0.0230 98 ASP E OD1 6454 O OD2 . ASP E 83 ? 0.6297 0.3758 0.7444 0.0907 0.1233 -0.0119 98 ASP E OD2 6455 N N . SER E 84 ? 0.2638 0.1504 0.4755 0.0935 0.0567 -0.0029 99 SER E N 6456 C CA . SER E 84 ? 0.2436 0.1572 0.4716 0.0992 0.0483 0.0014 99 SER E CA 6457 C C . SER E 84 ? 0.2786 0.2089 0.5258 0.0912 0.0363 -0.0006 99 SER E C 6458 O O . SER E 84 ? 0.2897 0.2186 0.5394 0.0812 0.0304 -0.0039 99 SER E O 6459 C CB . SER E 84 ? 0.2925 0.2068 0.5145 0.0979 0.0477 0.0020 99 SER E CB 6460 O OG . SER E 84 ? 0.3771 0.2777 0.5811 0.1089 0.0605 0.0055 99 SER E OG 6461 N N . ALA E 85 ? 0.2041 0.1507 0.4631 0.0961 0.0341 0.0016 100 ALA E N 6462 C CA . ALA E 85 ? 0.1790 0.1364 0.4526 0.0905 0.0265 0.0000 100 ALA E CA 6463 C C . ALA E 85 ? 0.1961 0.1708 0.4764 0.0948 0.0274 0.0016 100 ALA E C 6464 O O . ALA E 85 ? 0.1808 0.1645 0.4561 0.1037 0.0330 0.0052 100 ALA E O 6465 C CB . ALA E 85 ? 0.1896 0.1388 0.4662 0.0860 0.0253 -0.0028 100 ALA E CB 6466 N N . THR E 86 ? 0.1350 0.1161 0.4224 0.0864 0.0232 -0.0004 101 THR E N 6467 C CA . THR E 86 ? 0.1228 0.1201 0.4111 0.0827 0.0241 -0.0007 101 THR E CA 6468 C C . THR E 86 ? 0.1489 0.1404 0.4464 0.0919 0.0257 -0.0016 101 THR E C 6469 O O . THR E 86 ? 0.1503 0.1298 0.4520 0.0885 0.0234 -0.0035 101 THR E O 6470 C CB . THR E 86 ? 0.2123 0.2126 0.5087 0.0783 0.0230 -0.0044 101 THR E CB 6471 O OG1 . THR E 86 ? 0.2052 0.2084 0.4967 0.0746 0.0229 -0.0040 101 THR E OG1 6472 C CG2 . THR E 86 ? 0.1589 0.1780 0.4569 0.0732 0.0253 -0.0072 101 THR E CG2 6473 N N . TYR E 87 ? 0.1141 0.1156 0.3853 0.0759 0.0281 0.0028 102 TYR E N 6474 C CA . TYR E 87 ? 0.1139 0.1104 0.3803 0.0731 0.0301 0.0035 102 TYR E CA 6475 C C . TYR E 87 ? 0.1194 0.1303 0.4077 0.0854 0.0298 0.0001 102 TYR E C 6476 O O . TYR E 87 ? 0.1074 0.1386 0.3883 0.0821 0.0299 0.0017 102 TYR E O 6477 C CB . TYR E 87 ? 0.1386 0.1306 0.4026 0.0953 0.0389 0.0086 102 TYR E CB 6478 C CG . TYR E 87 ? 0.1700 0.1349 0.4394 0.1116 0.0446 0.0067 102 TYR E CG 6479 C CD1 . TYR E 87 ? 0.1948 0.1560 0.4618 0.1173 0.0457 0.0075 102 TYR E CD1 6480 C CD2 . TYR E 87 ? 0.1905 0.1320 0.4591 0.1117 0.0484 0.0030 102 TYR E CD2 6481 C CE1 . TYR E 87 ? 0.2115 0.1472 0.4661 0.1137 0.0500 0.0053 102 TYR E CE1 6482 C CE2 . TYR E 87 ? 0.2204 0.1385 0.4762 0.1063 0.0531 0.0002 102 TYR E CE2 6483 C CZ . TYR E 87 ? 0.3018 0.2164 0.5501 0.1071 0.0539 0.0011 102 TYR E CZ 6484 O OH . TYR E 87 ? 0.3456 0.2370 0.5786 0.0993 0.0595 -0.0028 102 TYR E OH 6485 N N . LEU E 88 ? 0.0972 0.0974 0.3699 0.0581 0.0263 -0.0017 103 LEU E N 6486 C CA . LEU E 88 ? 0.0915 0.0975 0.3689 0.0548 0.0263 -0.0052 103 LEU E CA 6487 C C . LEU E 88 ? 0.1395 0.1500 0.4527 0.0915 0.0321 -0.0078 103 LEU E C 6488 O O . LEU E 88 ? 0.1346 0.1295 0.4467 0.0921 0.0329 -0.0069 103 LEU E O 6489 C CB . LEU E 88 ? 0.0846 0.0815 0.3642 0.0433 0.0251 -0.0084 103 LEU E CB 6490 C CG . LEU E 88 ? 0.1114 0.1028 0.4151 0.0671 0.0268 -0.0114 103 LEU E CG 6491 C CD1 . LEU E 88 ? 0.1180 0.0926 0.4219 0.0644 0.0270 -0.0109 103 LEU E CD1 6492 C CD2 . LEU E 88 ? 0.1087 0.1149 0.4133 0.0648 0.0299 -0.0156 103 LEU E CD2 6493 N N . CYS E 89 ? 0.1191 0.1497 0.4310 0.0894 0.0335 -0.0087 104 CYS E N 6494 C CA . CYS E 89 ? 0.1276 0.1625 0.4394 0.0926 0.0360 -0.0083 104 CYS E CA 6495 C C . CYS E 89 ? 0.1487 0.1812 0.4624 0.0805 0.0366 -0.0153 104 CYS E C 6496 O O . CYS E 89 ? 0.1541 0.1940 0.4643 0.0693 0.0368 -0.0199 104 CYS E O 6497 C CB . CYS E 89 ? 0.1530 0.2177 0.4593 0.1010 0.0380 -0.0027 104 CYS E CB 6498 S SG . CYS E 89 ? 0.2207 0.2907 0.5242 0.1085 0.0421 0.0002 104 CYS E SG 6499 N N . ALA E 90 ? 0.1002 0.1149 0.3989 0.0655 0.0360 -0.0144 105 ALA E N 6500 C CA . ALA E 90 ? 0.0925 0.1001 0.3879 0.0533 0.0382 -0.0196 105 ALA E CA 6501 C C . ALA E 90 ? 0.1057 0.1193 0.4144 0.0686 0.0427 -0.0213 105 ALA E C 6502 O O . ALA E 90 ? 0.1026 0.1122 0.3985 0.0648 0.0406 -0.0145 105 ALA E O 6503 C CB . ALA E 90 ? 0.0991 0.0886 0.3996 0.0509 0.0391 -0.0198 105 ALA E CB 6504 N N . VAL E 91 ? 0.0795 0.0901 0.3605 0.0397 0.0417 -0.0231 106 VAL E N 6505 C CA . VAL E 91 ? 0.0747 0.0858 0.3459 0.0348 0.0423 -0.0219 106 VAL E CA 6506 C C . VAL E 91 ? 0.0931 0.0961 0.3870 0.0462 0.0528 -0.0318 106 VAL E C 6507 O O . VAL E 91 ? 0.0945 0.0888 0.3869 0.0405 0.0578 -0.0381 106 VAL E O 6508 C CB . VAL E 91 ? 0.0834 0.1346 0.3726 0.0570 0.0470 -0.0256 106 VAL E CB 6509 C CG1 . VAL E 91 ? 0.0825 0.1395 0.3542 0.0608 0.0416 -0.0143 106 VAL E CG1 6510 C CG2 . VAL E 91 ? 0.0723 0.1492 0.3658 0.0478 0.0507 -0.0352 106 VAL E CG2 6511 N N . ALA E 92 ? 0.0724 0.0678 0.3439 0.0234 0.0486 -0.0242 107 ALA E N 6512 C CA . ALA E 92 ? 0.0721 0.0614 0.3437 0.0174 0.0550 -0.0279 107 ALA E CA 6513 C C . ALA E 92 ? 0.0916 0.0906 0.3759 0.0383 0.0624 -0.0373 107 ALA E C 6514 O O . ALA E 92 ? 0.0769 0.0820 0.3435 0.0298 0.0541 -0.0282 107 ALA E O 6515 C CB . ALA E 92 ? 0.0777 0.0606 0.3579 0.0206 0.0571 -0.0236 107 ALA E CB 6516 N N . LEU E 93 ? 0.0748 0.0698 0.3392 0.0155 0.0646 -0.0415 108 LEU E N 6517 C CA . LEU E 93 ? 0.0736 0.0846 0.3331 0.0167 0.0677 -0.0486 108 LEU E CA 6518 C C . LEU E 93 ? 0.1194 0.1238 0.3889 0.0241 0.0854 -0.0621 108 LEU E C 6519 O O . LEU E 93 ? 0.1486 0.1235 0.4103 0.0176 0.0941 -0.0678 108 LEU E O 6520 C CB . LEU E 93 ? 0.0670 0.1097 0.3259 0.0128 0.0701 -0.0574 108 LEU E CB 6521 C CG . LEU E 93 ? 0.0917 0.1642 0.3668 0.0237 0.0658 -0.0526 108 LEU E CG 6522 C CD1 . LEU E 93 ? 0.0973 0.1930 0.3608 0.0037 0.0667 -0.0602 108 LEU E CD1 6523 C CD2 . LEU E 93 ? 0.0929 0.1932 0.3747 0.0409 0.0597 -0.0417 108 LEU E CD2 6524 N N . ASN E 94 ? 0.0795 0.0944 0.3344 0.0148 0.0794 -0.0578 109 ASN E N 6525 C CA . ASN E 94 ? 0.0875 0.0955 0.3377 0.0097 0.0913 -0.0674 109 ASN E CA 6526 C C . ASN E 94 ? 0.1630 0.1696 0.3964 -0.0105 0.1031 -0.0827 109 ASN E C 6527 O O . ASN E 94 ? 0.1890 0.1667 0.4098 -0.0189 0.1150 -0.0903 109 ASN E O 6528 C CB . ASN E 94 ? 0.0864 0.1250 0.3413 0.0187 0.0914 -0.0659 109 ASN E CB 6529 C CG . ASN E 94 ? 0.2770 0.3073 0.5465 0.0391 0.0885 -0.0557 109 ASN E CG 6530 O OD1 . ASN E 94 ? 0.2430 0.2480 0.5231 0.0472 0.0898 -0.0536 109 ASN E OD1 6531 N ND2 . ASN E 94 ? 0.1441 0.1975 0.4121 0.0465 0.0857 -0.0496 109 ASN E ND2 6532 N N . ASN E 95 ? 0.1280 0.1629 0.3558 -0.0227 0.0985 -0.0852 110 ASN E N 6533 C CA . ASN E 95 ? 0.1506 0.1879 0.3552 -0.0516 0.1069 -0.0991 110 ASN E CA 6534 C C . ASN E 95 ? 0.2091 0.2006 0.4047 -0.0573 0.1166 -0.1038 110 ASN E C 6535 O O . ASN E 95 ? 0.2529 0.2280 0.4235 -0.0824 0.1290 -0.1168 110 ASN E O 6536 C CB . ASN E 95 ? 0.1676 0.2644 0.3715 -0.0618 0.0972 -0.0987 110 ASN E CB 6537 C CG . ASN E 95 ? 0.4883 0.6337 0.6871 -0.0677 0.0936 -0.0992 110 ASN E CG 6538 O OD1 . ASN E 95 ? 0.4168 0.6165 0.6231 -0.0605 0.0832 -0.0909 110 ASN E OD1 6539 N ND2 . ASN E 95 ? 0.3919 0.5211 0.5758 -0.0802 0.1032 -0.1083 110 ASN E ND2 6540 N N . ASN E 96 ? 0.1266 0.0978 0.3400 -0.0351 0.1120 -0.0934 111 ASN E N 6541 C CA . ASN E 96 ? 0.1315 0.0664 0.3387 -0.0346 0.1206 -0.0923 111 ASN E CA 6542 C C . ASN E 96 ? 0.1972 0.0763 0.3898 -0.0319 0.1379 -0.0978 111 ASN E C 6543 O O . ASN E 96 ? 0.1911 0.0706 0.3907 -0.0224 0.1382 -0.0954 111 ASN E O 6544 C CB . ASN E 96 ? 0.0773 0.0532 0.3069 -0.0244 0.1029 -0.0639 111 ASN E CB 6545 C CG . ASN E 96 ? 0.2635 0.2226 0.4981 -0.0155 0.0996 -0.0793 111 ASN E CG 6546 O OD1 . ASN E 96 ? 0.2151 0.1976 0.4368 -0.0359 0.1005 -0.0872 111 ASN E OD1 6547 N ND2 . ASN E 96 ? 0.1929 0.1513 0.4447 0.0023 0.0910 -0.0693 111 ASN E ND2 6548 N N . ALA E 97 ? 0.1741 0.0627 0.3487 -0.0418 0.1538 -0.0875 112 ALA E N 6549 C CA . ALA E 97 ? 0.2007 0.0595 0.3585 -0.0402 0.1733 -0.0824 112 ALA E CA 6550 C C . ALA E 97 ? 0.2365 0.0566 0.4117 -0.0119 0.1700 -0.0740 112 ALA E C 6551 O O . ALA E 97 ? 0.2595 0.0545 0.4221 -0.0055 0.1830 -0.0663 112 ALA E O 6552 C CB . ALA E 97 ? 0.2571 0.0651 0.3768 -0.0559 0.1962 -0.0958 112 ALA E CB 6553 N N . GLY E 98 ? 0.1536 0.0496 0.3574 -0.0123 0.1490 -0.0520 113 GLY E N 6554 C CA . GLY E 98 ? 0.1454 0.0477 0.3636 0.0002 0.1415 -0.0366 113 GLY E CA 6555 C C . GLY E 98 ? 0.1685 0.0586 0.4127 0.0230 0.1250 -0.0429 113 GLY E C 6556 O O . GLY E 98 ? 0.1286 0.0533 0.3765 0.0087 0.1120 -0.0430 113 GLY E O 6557 N N . ASN E 99 ? 0.1477 0.0565 0.3989 0.0254 0.1183 -0.0269 114 ASN E N 6558 C CA . ASN E 99 ? 0.1208 0.0560 0.3867 0.0243 0.1000 -0.0203 114 ASN E CA 6559 C C . ASN E 99 ? 0.1802 0.0761 0.4626 0.0577 0.1012 -0.0310 114 ASN E C 6560 O O . ASN E 99 ? 0.1697 0.0819 0.4659 0.0639 0.0902 -0.0248 114 ASN E O 6561 C CB . ASN E 99 ? 0.0896 0.0473 0.3523 0.0130 0.0939 -0.0056 114 ASN E CB 6562 C CG . ASN E 99 ? 0.1701 0.0837 0.4643 0.0623 0.1062 -0.0243 114 ASN E CG 6563 O OD1 . ASN E 99 ? 0.0844 0.0491 0.3583 0.0125 0.0870 -0.0116 114 ASN E OD1 6564 N ND2 . ASN E 99 ? 0.0770 0.0384 0.3268 0.0009 0.1046 0.0007 114 ASN E ND2 6565 N N . MET E 100 ? 0.1600 0.0614 0.4212 0.0354 0.1058 -0.0313 115 MET E N 6566 C CA . MET E 100 ? 0.1510 0.0589 0.4117 0.0325 0.0999 -0.0289 115 MET E CA 6567 C C . MET E 100 ? 0.1305 0.0601 0.4032 0.0301 0.0850 -0.0318 115 MET E C 6568 O O . MET E 100 ? 0.1182 0.0602 0.3929 0.0256 0.0813 -0.0360 115 MET E O 6569 C CB . MET E 100 ? 0.2120 0.0614 0.4552 0.0388 0.1172 -0.0445 115 MET E CB 6570 C CG . MET E 100 ? 0.2749 0.1105 0.5057 0.0242 0.1219 -0.0626 115 MET E CG 6571 S SD . MET E 100 ? 0.3848 0.1898 0.5964 0.0191 0.1402 -0.0697 115 MET E SD 6572 C CE . MET E 100 ? 0.3271 0.1677 0.5413 0.0036 0.1320 -0.0770 115 MET E CE 6573 N N . LEU E 101 ? 0.0700 0.0433 0.3332 0.0034 0.0721 -0.0179 116 LEU E N 6574 C CA . LEU E 101 ? 0.0503 0.0392 0.3040 -0.0039 0.0573 -0.0179 116 LEU E CA 6575 C C . LEU E 101 ? 0.1006 0.0567 0.3730 0.0188 0.0700 -0.0368 116 LEU E C 6576 O O . LEU E 101 ? 0.1193 0.0540 0.3810 0.0165 0.0812 -0.0411 116 LEU E O 6577 C CB . LEU E 101 ? 0.0465 0.0385 0.2874 -0.0022 0.0459 -0.0117 116 LEU E CB 6578 C CG . LEU E 101 ? 0.0532 0.0421 0.3256 0.0038 0.0476 -0.0090 116 LEU E CG 6579 C CD1 . LEU E 101 ? 0.0458 0.0391 0.3161 0.0007 0.0408 -0.0049 116 LEU E CD1 6580 C CD2 . LEU E 101 ? 0.0596 0.0473 0.3375 0.0096 0.0454 -0.0117 116 LEU E CD2 6581 N N . THR E 102 ? 0.0615 0.0477 0.3261 0.0010 0.0590 -0.0343 117 THR E N 6582 C CA . THR E 102 ? 0.0592 0.0496 0.3190 -0.0034 0.0613 -0.0436 117 THR E CA 6583 C C . THR E 102 ? 0.0919 0.0951 0.3770 0.0276 0.0579 -0.0452 117 THR E C 6584 O O . THR E 102 ? 0.0744 0.0953 0.3619 0.0332 0.0498 -0.0380 117 THR E O 6585 C CB . THR E 102 ? 0.1181 0.1235 0.3822 0.0026 0.0709 -0.0600 117 THR E CB 6586 O OG1 . THR E 102 ? 0.1342 0.1110 0.3864 -0.0048 0.0820 -0.0667 117 THR E OG1 6587 C CG2 . THR E 102 ? 0.0613 0.0923 0.3131 -0.0182 0.0722 -0.0672 117 THR E CG2 6588 N N . PHE E 103 ? 0.0708 0.0652 0.3440 0.0148 0.0548 -0.0415 118 PHE E N 6589 C CA . PHE E 103 ? 0.0602 0.0643 0.3283 0.0138 0.0437 -0.0332 118 PHE E CA 6590 C C . PHE E 103 ? 0.1086 0.1584 0.3954 0.0247 0.0474 -0.0400 118 PHE E C 6591 O O . PHE E 103 ? 0.1226 0.1821 0.3974 0.0053 0.0527 -0.0484 118 PHE E O 6592 C CB . PHE E 103 ? 0.0717 0.0623 0.3469 0.0191 0.0461 -0.0312 118 PHE E CB 6593 C CG . PHE E 103 ? 0.0815 0.0618 0.3619 0.0256 0.0436 -0.0237 118 PHE E CG 6594 C CD1 . PHE E 103 ? 0.1081 0.0651 0.3933 0.0360 0.0522 -0.0256 118 PHE E CD1 6595 C CD2 . PHE E 103 ? 0.0910 0.0736 0.3811 0.0390 0.0371 -0.0192 118 PHE E CD2 6596 C CE1 . PHE E 103 ? 0.1178 0.0699 0.4097 0.0450 0.0497 -0.0190 118 PHE E CE1 6597 C CE2 . PHE E 103 ? 0.1172 0.0864 0.4237 0.0584 0.0371 -0.0170 118 PHE E CE2 6598 C CZ . PHE E 103 ? 0.1087 0.0734 0.4058 0.0465 0.0406 -0.0143 118 PHE E CZ 6599 N N . GLY E 104 ? 0.0644 0.1364 0.3596 0.0384 0.0410 -0.0320 119 GLY E N 6600 C CA . GLY E 104 ? 0.0550 0.1658 0.3467 0.0355 0.0382 -0.0299 119 GLY E CA 6601 C C . GLY E 104 ? 0.1110 0.2116 0.4028 0.0318 0.0383 -0.0306 119 GLY E C 6602 O O . GLY E 104 ? 0.1114 0.1745 0.4040 0.0351 0.0390 -0.0303 119 GLY E O 6603 N N . GLY E 105 ? 0.0678 0.2028 0.3572 0.0255 0.0374 -0.0307 120 GLY E N 6604 C CA . GLY E 105 ? 0.0691 0.1956 0.3555 0.0203 0.0377 -0.0315 120 GLY E CA 6605 C C . GLY E 105 ? 0.1141 0.2261 0.4071 0.0383 0.0338 -0.0230 120 GLY E C 6606 O O . GLY E 105 ? 0.1220 0.2253 0.4118 0.0337 0.0342 -0.0237 120 GLY E O 6607 N N . GLY E 106 ? 0.0656 0.1704 0.3616 0.0555 0.0311 -0.0155 121 GLY E N 6608 C CA . GLY E 106 ? 0.0760 0.1594 0.3657 0.0648 0.0287 -0.0085 121 GLY E CA 6609 C C . GLY E 106 ? 0.1264 0.2454 0.4261 0.0832 0.0305 -0.0016 121 GLY E C 6610 O O . GLY E 106 ? 0.1189 0.2767 0.4179 0.0797 0.0310 -0.0010 121 GLY E O 6611 N N . THR E 107 ? 0.0982 0.1934 0.3912 0.0948 0.0315 0.0044 122 THR E N 6612 C CA . THR E 107 ? 0.1049 0.2111 0.3894 0.1059 0.0344 0.0121 122 THR E CA 6613 C C . THR E 107 ? 0.1520 0.2343 0.4424 0.1081 0.0340 0.0098 122 THR E C 6614 O O . THR E 107 ? 0.1407 0.1908 0.4296 0.1084 0.0337 0.0083 122 THR E O 6615 C CB . THR E 107 ? 0.1965 0.3042 0.4828 0.1322 0.0418 0.0207 122 THR E CB 6616 O OG1 . THR E 107 ? 0.1609 0.3041 0.4490 0.1371 0.0427 0.0243 122 THR E OG1 6617 C CG2 . THR E 107 ? 0.1816 0.2910 0.4586 0.1486 0.0485 0.0291 122 THR E CG2 6618 N N . ARG E 108 ? 0.1271 0.2254 0.4165 0.1040 0.0335 0.0099 123 ARG E N 6619 C CA . ARG E 108 ? 0.1366 0.2105 0.4218 0.1030 0.0331 0.0094 123 ARG E CA 6620 C C . ARG E 108 ? 0.2139 0.2795 0.4897 0.1208 0.0398 0.0167 123 ARG E C 6621 O O . ARG E 108 ? 0.2219 0.3133 0.4947 0.1322 0.0445 0.0232 123 ARG E O 6622 C CB . ARG E 108 ? 0.1357 0.2254 0.4214 0.0907 0.0312 0.0062 123 ARG E CB 6623 C CG . ARG E 108 ? 0.2429 0.3154 0.5299 0.0735 0.0282 -0.0013 123 ARG E CG 6624 C CD . ARG E 108 ? 0.3691 0.4541 0.6521 0.0589 0.0294 -0.0052 123 ARG E CD 6625 N NE . ARG E 108 ? 0.4784 0.6080 0.7627 0.0530 0.0314 -0.0063 123 ARG E NE 6626 C CZ . ARG E 108 ? 0.6773 0.8376 0.9604 0.0519 0.0330 -0.0043 123 ARG E CZ 6627 N NH1 . ARG E 108 ? 0.4617 0.6070 0.7414 0.0563 0.0334 -0.0017 123 ARG E NH1 6628 N NH2 . ARG E 108 ? 0.5501 0.7601 0.8354 0.0459 0.0344 -0.0049 123 ARG E NH2 6629 N N . LEU E 109 ? 0.1773 0.2076 0.4464 0.1232 0.0419 0.0159 124 LEU E N 6630 C CA . LEU E 109 ? 0.1904 0.2060 0.4453 0.1378 0.0516 0.0217 124 LEU E CA 6631 C C . LEU E 109 ? 0.2749 0.2687 0.5213 0.1332 0.0525 0.0194 124 LEU E C 6632 O O . LEU E 109 ? 0.2473 0.2241 0.4957 0.1208 0.0469 0.0135 124 LEU E O 6633 C CB . LEU E 109 ? 0.1976 0.1874 0.4450 0.1429 0.0574 0.0220 124 LEU E CB 6634 C CG . LEU E 109 ? 0.2795 0.2334 0.5049 0.1526 0.0709 0.0247 124 LEU E CG 6635 C CD1 . LEU E 109 ? 0.2979 0.2654 0.5125 0.1758 0.0825 0.0361 124 LEU E CD1 6636 C CD2 . LEU E 109 ? 0.2899 0.2146 0.5077 0.1488 0.0756 0.0213 124 LEU E CD2 6637 N N . MET E 110 ? 0.2925 0.2909 0.5288 0.1450 0.0602 0.0251 125 MET E N 6638 C CA . MET E 110 ? 0.3235 0.3000 0.5487 0.1416 0.0629 0.0231 125 MET E CA 6639 C C . MET E 110 ? 0.3801 0.3273 0.5817 0.1570 0.0793 0.0280 125 MET E C 6640 O O . MET E 110 ? 0.3784 0.3383 0.5743 0.1759 0.0885 0.0369 125 MET E O 6641 C CB . MET E 110 ? 0.3597 0.3638 0.5907 0.1401 0.0596 0.0247 125 MET E CB 6642 C CG . MET E 110 ? 0.4405 0.4223 0.6604 0.1350 0.0613 0.0221 125 MET E CG 6643 S SD . MET E 110 ? 0.5235 0.5280 0.7391 0.1439 0.0669 0.0278 125 MET E SD 6644 C CE . MET E 110 ? 0.4601 0.5157 0.6966 0.1347 0.0571 0.0272 125 MET E CE 6645 N N . VAL E 111 ? 0.3497 0.2582 0.5357 0.1482 0.0839 0.0222 126 VAL E N 6646 C CA . VAL E 111 ? 0.3817 0.2527 0.5391 0.1589 0.1026 0.0247 126 VAL E CA 6647 C C . VAL E 111 ? 0.4417 0.2981 0.5871 0.1521 0.1050 0.0213 126 VAL E C 6648 O O . VAL E 111 ? 0.4227 0.2659 0.5666 0.1329 0.0986 0.0124 126 VAL E O 6649 C CB . VAL E 111 ? 0.4460 0.2802 0.5896 0.1484 0.1087 0.0180 126 VAL E CB 6650 C CG1 . VAL E 111 ? 0.4907 0.2788 0.5984 0.1603 0.1329 0.0210 126 VAL E CG1 6651 C CG2 . VAL E 111 ? 0.4244 0.2761 0.5846 0.1497 0.1019 0.0193 126 VAL E CG2 6652 N N . LYS E 112 ? 0.4334 0.2948 0.5690 0.1695 0.1153 0.0292 127 LYS E N 6653 C CA . LYS E 112 ? 0.4497 0.2985 0.5731 0.1646 0.1186 0.0266 127 LYS E CA 6654 C C . LYS E 112 ? 0.5440 0.3361 0.6304 0.1637 0.1387 0.0228 127 LYS E C 6655 O O . LYS E 112 ? 0.5698 0.3359 0.6347 0.1818 0.1580 0.0293 127 LYS E O 6656 C CB . LYS E 112 ? 0.4796 0.3630 0.6100 0.1811 0.1201 0.0359 127 LYS E CB 6657 C CG . LYS E 112 ? 0.7473 0.6479 0.8726 0.2110 0.1339 0.0498 127 LYS E CG 6658 C CD . LYS E 112 ? 0.8524 0.8092 0.9960 0.2197 0.1279 0.0570 127 LYS E CD 6659 C CE . LYS E 112 ? 1.0084 0.9897 1.1445 0.2527 0.1433 0.0731 127 LYS E CE 6660 N NZ . LYS E 112 ? 1.1493 1.0953 1.2555 0.2714 0.1649 0.0793 127 LYS E NZ 6661 N N . PRO E 113 ? 0.5131 0.2849 0.5897 0.1414 0.1354 0.0120 128 PRO E N 6662 C CA . PRO E 113 ? 0.5626 0.2793 0.6006 0.1333 0.1552 0.0052 128 PRO E CA 6663 C C . PRO E 113 ? 0.6647 0.3527 0.6730 0.1528 0.1781 0.0118 128 PRO E C 6664 O O . PRO E 113 ? 0.6482 0.3660 0.6688 0.1693 0.1753 0.0207 128 PRO E O 6665 C CB . PRO E 113 ? 0.5749 0.2937 0.6152 0.1035 0.1419 -0.0074 128 PRO E CB 6666 C CG . PRO E 113 ? 0.5891 0.3543 0.6607 0.1048 0.1217 -0.0034 128 PRO E CG 6667 C CD . PRO E 113 ? 0.5006 0.2988 0.5980 0.1218 0.1148 0.0058 128 PRO E CD 6668 N N . HIS E 114 ? 0.6824 0.3113 0.6491 0.1502 0.2026 0.0072 129 HIS E N 6669 C CA . HIS E 114 ? 0.7324 0.3230 0.6637 0.1693 0.2290 0.0133 129 HIS E CA 6670 C C . HIS E 114 ? 0.7903 0.3655 0.7062 0.1485 0.2291 0.0027 129 HIS E C 6671 O O . HIS E 114 ? 0.7985 0.3503 0.6995 0.1172 0.2278 -0.0123 129 HIS E O 6672 C CB . HIS E 114 ? 0.8071 0.3323 0.6939 0.1788 0.2607 0.0144 129 HIS E CB 6673 C CG . HIS E 114 ? 0.9097 0.3888 0.7551 0.2018 0.2919 0.0220 129 HIS E CG 6674 N ND1 . HIS E 114 ? 0.9939 0.4054 0.7910 0.1834 0.3155 0.0099 129 HIS E ND1 6675 C CD2 . HIS E 114 ? 0.9364 0.4325 0.7827 0.2403 0.3026 0.0402 129 HIS E CD2 6676 C CE1 . HIS E 114 ? 1.0285 0.4113 0.7969 0.2133 0.3413 0.0215 129 HIS E CE1 6677 N NE2 . HIS E 114 ? 0.9993 0.4341 0.7971 0.2496 0.3342 0.0408 129 HIS E NE2 6678 N N . ILE E 115 ? 0.7406 0.3333 0.6603 0.1648 0.2304 0.0106 130 ILE E N 6679 C CA . ILE E 115 ? 0.7529 0.3305 0.6560 0.1482 0.2322 0.0020 130 ILE E CA 6680 C C . ILE E 115 ? 0.8732 0.3834 0.7234 0.1606 0.2686 0.0031 130 ILE E C 6681 O O . ILE E 115 ? 0.8861 0.3941 0.7279 0.1943 0.2851 0.0176 130 ILE E O 6682 C CB . ILE E 115 ? 0.7467 0.3787 0.6819 0.1546 0.2135 0.0082 130 ILE E CB 6683 C CG1 . ILE E 115 ? 0.6880 0.3792 0.6708 0.1447 0.1818 0.0082 130 ILE E CG1 6684 C CG2 . ILE E 115 ? 0.7705 0.3851 0.6866 0.1372 0.2158 -0.0006 130 ILE E CG2 6685 C CD1 . ILE E 115 ? 0.7281 0.4239 0.7214 0.1112 0.1625 -0.0053 130 ILE E CD1 6686 N N . GLN E 116 ? 0.8779 0.3334 0.6906 0.1333 0.2828 -0.0122 131 GLN E N 6687 C CA . GLN E 116 ? 0.9594 0.3366 0.7128 0.1378 0.3213 -0.0150 131 GLN E CA 6688 C C . GLN E 116 ? 1.0313 0.3926 0.7635 0.1467 0.3346 -0.0129 131 GLN E C 6689 O O . GLN E 116 ? 1.0778 0.3947 0.7748 0.1756 0.3662 -0.0028 131 GLN E O 6690 C CB . GLN E 116 ? 1.0191 0.3491 0.7388 0.0965 0.3302 -0.0357 131 GLN E CB 6691 C CG . GLN E 116 ? 1.3721 0.6100 1.0248 0.0994 0.3747 -0.0394 131 GLN E CG 6692 C CD . GLN E 116 ? 1.6869 0.9022 1.3318 0.1332 0.3929 -0.0244 131 GLN E CD 6693 O OE1 . GLN E 116 ? 1.6395 0.8560 1.2920 0.1215 0.3874 -0.0284 131 GLN E OE1 6694 N NE2 . GLN E 116 ? 1.6254 0.8228 1.2549 0.1773 0.4153 -0.0055 131 GLN E NE2 6695 N N . ASN E 117 ? 0.9501 0.3466 0.7020 0.1239 0.3121 -0.0214 132 ASN E N 6696 C CA . ASN E 117 ? 0.9709 0.3556 0.7046 0.1285 0.3224 -0.0209 132 ASN E CA 6697 C C . ASN E 117 ? 0.9342 0.3933 0.7178 0.1340 0.2916 -0.0138 132 ASN E C 6698 O O . ASN E 117 ? 0.8986 0.3816 0.6955 0.1058 0.2708 -0.0243 132 ASN E O 6699 C CB . ASN E 117 ? 1.0445 0.3809 0.7355 0.0894 0.3337 -0.0414 132 ASN E CB 6700 C CG . ASN E 117 ? 1.3782 0.6318 1.0109 0.0816 0.3701 -0.0499 132 ASN E CG 6701 O OD1 . ASN E 117 ? 1.3202 0.5579 0.9408 0.0483 0.3684 -0.0650 132 ASN E OD1 6702 N ND2 . ASN E 117 ? 1.3001 0.4993 0.8939 0.1130 0.4056 -0.0396 132 ASN E ND2 6703 N N . PRO E 118 ? 0.8545 0.3525 0.6642 0.1696 0.2894 0.0042 133 PRO E N 6704 C CA . PRO E 118 ? 0.7871 0.3526 0.6404 0.1712 0.2628 0.0095 133 PRO E CA 6705 C C . PRO E 118 ? 0.8520 0.4092 0.6890 0.1683 0.2695 0.0072 133 PRO E C 6706 O O . PRO E 118 ? 0.8941 0.4127 0.6966 0.1877 0.2977 0.0123 133 PRO E O 6707 C CB . PRO E 118 ? 0.7847 0.3921 0.6634 0.2076 0.2632 0.0280 133 PRO E CB 6708 C CG . PRO E 118 ? 0.8817 0.4466 0.7340 0.2259 0.2867 0.0334 133 PRO E CG 6709 C CD . PRO E 118 ? 0.8936 0.3798 0.6933 0.2091 0.3115 0.0208 133 PRO E CD 6710 N N . ASP E 119 ? 0.7766 0.3684 0.6367 0.1450 0.2447 0.0002 134 ASP E N 6711 C CA . ASP E 119 ? 0.7850 0.3773 0.6353 0.1375 0.2452 -0.0029 134 ASP E CA 6712 C C . ASP E 119 ? 0.7639 0.4226 0.6594 0.1367 0.2178 0.0027 134 ASP E C 6713 O O . ASP E 119 ? 0.7444 0.4167 0.6488 0.1118 0.1992 -0.0055 134 ASP E O 6714 C CB . ASP E 119 ? 0.8411 0.3974 0.6627 0.1015 0.2451 -0.0206 134 ASP E CB 6715 C CG . ASP E 119 ? 1.0433 0.5717 0.8326 0.0929 0.2586 -0.0266 134 ASP E CG 6716 O OD1 . ASP E 119 ? 1.0743 0.6043 0.8596 0.1176 0.2716 -0.0165 134 ASP E OD1 6717 O OD2 . ASP E 119 ? 1.1398 0.6462 0.9059 0.0614 0.2574 -0.0414 134 ASP E OD2 6718 N N . PRO E 120 ? 0.6812 0.3830 0.6038 0.1623 0.2154 0.0165 135 PRO E N 6719 C CA . PRO E 120 ? 0.6208 0.3811 0.5820 0.1566 0.1916 0.0197 135 PRO E CA 6720 C C . PRO E 120 ? 0.6404 0.4037 0.5953 0.1444 0.1883 0.0159 135 PRO E C 6721 O O . PRO E 120 ? 0.6635 0.4084 0.5953 0.1566 0.2072 0.0187 135 PRO E O 6722 C CB . PRO E 120 ? 0.6309 0.4329 0.6115 0.1858 0.1969 0.0341 135 PRO E CB 6723 C CG . PRO E 120 ? 0.7367 0.5009 0.6846 0.2122 0.2265 0.0412 135 PRO E CG 6724 C CD . PRO E 120 ? 0.7143 0.4163 0.6318 0.1966 0.2349 0.0300 135 PRO E CD 6725 N N . ALA E 121 ? 0.5419 0.3249 0.5145 0.1212 0.1659 0.0100 136 ALA E N 6726 C CA . ALA E 121 ? 0.5367 0.3230 0.5036 0.1075 0.1604 0.0065 136 ALA E CA 6727 C C . ALA E 121 ? 0.5317 0.3522 0.5263 0.0923 0.1366 0.0061 136 ALA E C 6728 O O . ALA E 121 ? 0.5178 0.3439 0.5263 0.0836 0.1234 0.0038 136 ALA E O 6729 C CB . ALA E 121 ? 0.5847 0.3262 0.5168 0.0902 0.1678 -0.0043 136 ALA E CB 6730 N N . VAL E 122 ? 0.4566 0.2963 0.4561 0.0893 0.1331 0.0085 137 VAL E N 6731 C CA . VAL E 122 ? 0.4224 0.2863 0.4411 0.0759 0.1151 0.0089 137 VAL E CA 6732 C C . VAL E 122 ? 0.4742 0.3215 0.4745 0.0598 0.1105 0.0042 137 VAL E C 6733 O O . VAL E 122 ? 0.4847 0.3215 0.4668 0.0605 0.1204 0.0035 137 VAL E O 6734 C CB . VAL E 122 ? 0.4553 0.3574 0.4945 0.0819 0.1142 0.0153 137 VAL E CB 6735 C CG1 . VAL E 122 ? 0.4371 0.3534 0.4906 0.0667 0.0989 0.0150 137 VAL E CG1 6736 C CG2 . VAL E 122 ? 0.4373 0.3630 0.4931 0.0981 0.1191 0.0204 137 VAL E CG2 6737 N N . TYR E 123 ? 0.4198 0.2674 0.4244 0.0466 0.0958 0.0018 138 TYR E N 6738 C CA . TYR E 123 ? 0.4276 0.2676 0.4162 0.0321 0.0892 -0.0011 138 TYR E CA 6739 C C . TYR E 123 ? 0.4653 0.3245 0.4681 0.0276 0.0756 0.0046 138 TYR E C 6740 O O . TYR E 123 ? 0.4236 0.2961 0.4470 0.0307 0.0684 0.0082 138 TYR E O 6741 C CB . TYR E 123 ? 0.4457 0.2721 0.4217 0.0207 0.0854 -0.0081 138 TYR E CB 6742 C CG . TYR E 123 ? 0.4852 0.2828 0.4408 0.0221 0.1016 -0.0150 138 TYR E CG 6743 C CD1 . TYR E 123 ? 0.5468 0.3184 0.4716 0.0180 0.1165 -0.0204 138 TYR E CD1 6744 C CD2 . TYR E 123 ? 0.4817 0.2734 0.4448 0.0270 0.1039 -0.0165 138 TYR E CD2 6745 C CE1 . TYR E 123 ? 0.5872 0.3234 0.4870 0.0195 0.1355 -0.0269 138 TYR E CE1 6746 C CE2 . TYR E 123 ? 0.5223 0.2803 0.4615 0.0287 0.1220 -0.0224 138 TYR E CE2 6747 C CZ . TYR E 123 ? 0.6536 0.3816 0.5596 0.0247 0.1385 -0.0277 138 TYR E CZ 6748 O OH . TYR E 123 ? 0.7054 0.3918 0.5819 0.0265 0.1601 -0.0335 138 TYR E OH 6749 N N . GLN E 124 ? 0.4613 0.3187 0.4499 0.0204 0.0736 0.0058 139 GLN E N 6750 C CA . GLN E 124 ? 0.4659 0.3341 0.4608 0.0175 0.0636 0.0125 139 GLN E CA 6751 C C . GLN E 124 ? 0.5535 0.4245 0.5401 0.0104 0.0526 0.0129 139 GLN E C 6752 O O . GLN E 124 ? 0.5722 0.4380 0.5388 0.0019 0.0537 0.0080 139 GLN E O 6753 C CB . GLN E 124 ? 0.4966 0.3639 0.4813 0.0159 0.0691 0.0156 139 GLN E CB 6754 C CG . GLN E 124 ? 0.7310 0.6034 0.7217 0.0149 0.0635 0.0233 139 GLN E CG 6755 C CD . GLN E 124 ? 1.0642 0.9347 1.0459 0.0121 0.0713 0.0257 139 GLN E CD 6756 O OE1 . GLN E 124 ? 1.0001 0.8786 0.9924 0.0123 0.0779 0.0256 139 GLN E OE1 6757 N NE2 . GLN E 124 ? 1.0250 0.8882 0.9864 0.0080 0.0708 0.0276 139 GLN E NE2 6758 N N . LEU E 125 ? 0.5166 0.3982 0.5172 0.0135 0.0430 0.0188 140 LEU E N 6759 C CA . LEU E 125 ? 0.5331 0.4268 0.5284 0.0097 0.0323 0.0215 140 LEU E CA 6760 C C . LEU E 125 ? 0.6560 0.5540 0.6379 0.0103 0.0291 0.0301 140 LEU E C 6761 O O . LEU E 125 ? 0.6539 0.5417 0.6339 0.0137 0.0352 0.0343 140 LEU E O 6762 C CB . LEU E 125 ? 0.5114 0.4151 0.5264 0.0159 0.0249 0.0254 140 LEU E CB 6763 C CG . LEU E 125 ? 0.5562 0.4596 0.5792 0.0128 0.0255 0.0168 140 LEU E CG 6764 C CD1 . LEU E 125 ? 0.5436 0.4370 0.5809 0.0196 0.0333 0.0145 140 LEU E CD1 6765 C CD2 . LEU E 125 ? 0.5690 0.4902 0.6025 0.0138 0.0152 0.0199 140 LEU E CD2 6766 N N . ARG E 126 ? 0.6725 0.5879 0.6430 0.0060 0.0206 0.0326 141 ARG E N 6767 C CA . ARG E 126 ? 0.7079 0.6319 0.6636 0.0091 0.0171 0.0431 141 ARG E CA 6768 C C . ARG E 126 ? 0.7882 0.7094 0.7536 0.0241 0.0161 0.0566 141 ARG E C 6769 O O . ARG E 126 ? 0.7627 0.6937 0.7425 0.0309 0.0109 0.0601 141 ARG E O 6770 C CB . ARG E 126 ? 0.7356 0.6890 0.6781 0.0010 0.0075 0.0430 141 ARG E CB 6771 C CG . ARG E 126 ? 0.9221 0.8718 0.8461 -0.0176 0.0117 0.0287 141 ARG E CG 6772 C CD . ARG E 126 ? 1.0946 1.0787 1.0048 -0.0308 0.0024 0.0264 141 ARG E CD 6773 N NE . ARG E 126 ? 1.2677 1.2665 1.1573 -0.0326 -0.0004 0.0331 141 ARG E NE 6774 C CZ . ARG E 126 ? 1.4861 1.5124 1.3757 -0.0195 -0.0091 0.0496 141 ARG E CZ 6775 N NH1 . ARG E 126 ? 1.3720 1.4109 1.2406 -0.0209 -0.0106 0.0557 141 ARG E NH1 6776 N NH2 . ARG E 126 ? 1.3042 1.3445 1.2129 -0.0031 -0.0150 0.0610 141 ARG E NH2 6777 N N . ASP E 127 ? 0.7969 0.7006 0.7522 0.0285 0.0234 0.0634 142 ASP E N 6778 C CA . ASP E 127 ? 0.8223 0.7119 0.7789 0.0406 0.0277 0.0752 142 ASP E CA 6779 C C . ASP E 127 ? 0.9057 0.8132 0.8568 0.0544 0.0203 0.0897 142 ASP E C 6780 O O . ASP E 127 ? 0.9212 0.8498 0.8580 0.0551 0.0144 0.0951 142 ASP E O 6781 C CB . ASP E 127 ? 0.8748 0.7405 0.8152 0.0392 0.0390 0.0788 142 ASP E CB 6782 C CG . ASP E 127 ? 1.0754 0.9153 1.0183 0.0429 0.0495 0.0828 142 ASP E CG 6783 O OD1 . ASP E 127 ? 1.1041 0.9351 1.0405 0.0556 0.0511 0.0951 142 ASP E OD1 6784 O OD2 . ASP E 127 ? 1.1677 0.9974 1.1171 0.0329 0.0575 0.0738 142 ASP E OD2 6785 N N . SER E 128 ? 0.8626 0.7651 0.8250 0.0658 0.0212 0.0963 143 SER E N 6786 C CA . SER E 128 ? 0.8774 0.7973 0.8357 0.0836 0.0165 0.1124 143 SER E CA 6787 C C . SER E 128 ? 0.9729 0.8740 0.9062 0.0973 0.0256 0.1288 143 SER E C 6788 O O . SER E 128 ? 0.9817 0.8431 0.9054 0.0970 0.0394 0.1297 143 SER E O 6789 C CB . SER E 128 ? 0.9070 0.8214 0.8822 0.0927 0.0177 0.1144 143 SER E CB 6790 O OG . SER E 128 ? 1.0171 0.9544 0.9898 0.1123 0.0133 0.1307 143 SER E OG 6791 N N . LYS E 129 ? 0.9538 0.8860 0.8746 0.1078 0.0183 0.1413 144 LYS E N 6792 C CA . LYS E 129 ? 0.9935 0.9183 0.8878 0.1251 0.0249 0.1605 144 LYS E CA 6793 C C . LYS E 129 ? 1.0766 0.9643 0.9606 0.1472 0.0399 0.1764 144 LYS E C 6794 O O . LYS E 129 ? 1.1112 0.9666 0.9692 0.1571 0.0534 0.1882 144 LYS E O 6795 C CB . LYS E 129 ? 1.0339 1.0158 0.9229 0.1340 0.0112 0.1716 144 LYS E CB 6796 C CG . LYS E 129 ? 1.1876 1.2149 1.0980 0.1387 -0.0011 0.1723 144 LYS E CG 6797 C CD . LYS E 129 ? 1.2468 1.3050 1.1730 0.1112 -0.0138 0.1507 144 LYS E CD 6798 C CE . LYS E 129 ? 1.2972 1.3504 1.2489 0.1056 -0.0155 0.1394 144 LYS E CE 6799 N NZ . LYS E 129 ? 1.3647 1.4292 1.3258 0.0783 -0.0220 0.1173 144 LYS E NZ 6800 N N . SER E 130 ? 1.0201 0.9087 0.9216 0.1543 0.0393 0.1763 145 SER E N 6801 C CA . SER E 130 ? 1.0454 0.8966 0.9360 0.1748 0.0550 0.1900 145 SER E CA 6802 C C . SER E 130 ? 1.0724 0.8810 0.9732 0.1596 0.0655 0.1748 145 SER E C 6803 O O . SER E 130 ? 1.0778 0.8609 0.9753 0.1725 0.0763 0.1817 145 SER E O 6804 C CB . SER E 130 ? 1.0950 0.9848 0.9948 0.1985 0.0475 0.2049 145 SER E CB 6805 O OG . SER E 130 ? 1.1648 1.0885 1.0957 0.1846 0.0328 0.1899 145 SER E OG 6806 N N . SER E 131 ? 1.0048 0.8064 0.9154 0.1332 0.0639 0.1550 146 SER E N 6807 C CA . SER E 131 ? 0.9871 0.7597 0.9083 0.1172 0.0725 0.1404 146 SER E CA 6808 C C . SER E 131 ? 1.0452 0.7844 0.9515 0.0991 0.0859 0.1318 146 SER E C 6809 O O . SER E 131 ? 1.0629 0.7632 0.9584 0.0934 0.1023 0.1296 146 SER E O 6810 C CB . SER E 131 ? 0.9749 0.7802 0.9280 0.1035 0.0578 0.1240 146 SER E CB 6811 O OG . SER E 131 ? 1.0482 0.8329 1.0120 0.0899 0.0653 0.1114 146 SER E OG 6812 N N . ASP E 132 ? 0.9805 0.7363 0.8861 0.0877 0.0799 0.1256 147 ASP E N 6813 C CA . ASP E 132 ? 0.9817 0.7174 0.8769 0.0694 0.0903 0.1165 147 ASP E CA 6814 C C . ASP E 132 ? 0.9752 0.7188 0.8939 0.0495 0.0900 0.0978 147 ASP E C 6815 O O . ASP E 132 ? 0.9769 0.7132 0.8915 0.0333 0.0981 0.0892 147 ASP E O 6816 C CB . ASP E 132 ? 1.0556 0.7424 0.9179 0.0720 0.1116 0.1260 147 ASP E CB 6817 N N . LYS E 133 ? 0.8757 0.6383 0.8187 0.0517 0.0805 0.0926 148 LYS E N 6818 C CA . LYS E 133 ? 0.8293 0.6066 0.7956 0.0374 0.0783 0.0773 148 LYS E CA 6819 C C . LYS E 133 ? 0.8284 0.6376 0.8089 0.0346 0.0660 0.0701 148 LYS E C 6820 O O . LYS E 133 ? 0.8202 0.6447 0.8000 0.0434 0.0556 0.0751 148 LYS E O 6821 C CB . LYS E 133 ? 0.8388 0.6172 0.8212 0.0421 0.0759 0.0760 148 LYS E CB 6822 C CG . LYS E 133 ? 1.0002 0.7418 0.9669 0.0427 0.0912 0.0805 148 LYS E CG 6823 C CD . LYS E 133 ? 1.0704 0.8163 1.0541 0.0476 0.0877 0.0785 148 LYS E CD 6824 C CE . LYS E 133 ? 1.1841 0.8903 1.1477 0.0558 0.1027 0.0872 148 LYS E CE 6825 N NZ . LYS E 133 ? 1.2717 0.9731 1.2225 0.0812 0.1008 0.1055 148 LYS E NZ 6826 N N . SER E 134 ? 0.7480 0.5679 0.7386 0.0225 0.0686 0.0588 149 SER E N 6827 C CA . SER E 134 ? 0.7172 0.5595 0.7169 0.0211 0.0613 0.0519 149 SER E CA 6828 C C . SER E 134 ? 0.6993 0.5572 0.7218 0.0215 0.0567 0.0444 149 SER E C 6829 O O . SER E 134 ? 0.6778 0.5371 0.7108 0.0168 0.0620 0.0405 149 SER E O 6830 C CB . SER E 134 ? 0.7806 0.6246 0.7729 0.0120 0.0693 0.0471 149 SER E CB 6831 O OG . SER E 134 ? 0.9629 0.7901 0.9325 0.0109 0.0747 0.0541 149 SER E OG 6832 N N . VAL E 135 ? 0.6204 0.4902 0.6486 0.0257 0.0479 0.0420 150 VAL E N 6833 C CA . VAL E 135 ? 0.5844 0.4652 0.6313 0.0274 0.0446 0.0358 150 VAL E CA 6834 C C . VAL E 135 ? 0.6228 0.5106 0.6699 0.0258 0.0476 0.0282 150 VAL E C 6835 O O . VAL E 135 ? 0.6281 0.5132 0.6610 0.0238 0.0470 0.0269 150 VAL E O 6836 C CB . VAL E 135 ? 0.6226 0.5080 0.6749 0.0332 0.0348 0.0391 150 VAL E CB 6837 C CG1 . VAL E 135 ? 0.5984 0.4929 0.6660 0.0337 0.0319 0.0320 150 VAL E CG1 6838 C CG2 . VAL E 135 ? 0.6250 0.5009 0.6784 0.0387 0.0356 0.0472 150 VAL E CG2 6839 N N . CYS E 136 ? 0.5687 0.4653 0.6300 0.0275 0.0522 0.0239 151 CYS E N 6840 C CA . CYS E 136 ? 0.5674 0.4692 0.6298 0.0314 0.0583 0.0189 151 CYS E CA 6841 C C . CYS E 136 ? 0.5452 0.4495 0.6196 0.0366 0.0555 0.0163 151 CYS E C 6842 O O . CYS E 136 ? 0.5144 0.4260 0.6038 0.0375 0.0519 0.0174 151 CYS E O 6843 C CB . CYS E 136 ? 0.5871 0.5039 0.6549 0.0320 0.0677 0.0187 151 CYS E CB 6844 S SG . CYS E 136 ? 0.6692 0.5827 0.7208 0.0246 0.0735 0.0206 151 CYS E SG 6845 N N . LEU E 137 ? 0.4766 0.3717 0.5416 0.0391 0.0591 0.0122 152 LEU E N 6846 C CA . LEU E 137 ? 0.4509 0.3432 0.5225 0.0434 0.0589 0.0092 152 LEU E CA 6847 C C . LEU E 137 ? 0.4803 0.3679 0.5465 0.0534 0.0723 0.0076 152 LEU E C 6848 O O . LEU E 137 ? 0.5083 0.3796 0.5544 0.0533 0.0813 0.0050 152 LEU E O 6849 C CB . LEU E 137 ? 0.4626 0.3440 0.5231 0.0353 0.0528 0.0055 152 LEU E CB 6850 C CG . LEU E 137 ? 0.5183 0.3920 0.5798 0.0359 0.0544 0.0008 152 LEU E CG 6851 C CD1 . LEU E 137 ? 0.4946 0.3816 0.5774 0.0380 0.0448 0.0036 152 LEU E CD1 6852 C CD2 . LEU E 137 ? 0.5617 0.4236 0.6025 0.0232 0.0542 -0.0059 152 LEU E CD2 6853 N N . PHE E 138 ? 0.3911 0.2926 0.4734 0.0629 0.0747 0.0099 153 PHE E N 6854 C CA . PHE E 138 ? 0.3811 0.2810 0.4592 0.0776 0.0882 0.0113 153 PHE E CA 6855 C C . PHE E 138 ? 0.4209 0.3005 0.4940 0.0780 0.0886 0.0077 153 PHE E C 6856 O O . PHE E 138 ? 0.3868 0.2753 0.4757 0.0743 0.0784 0.0074 153 PHE E O 6857 C CB . PHE E 138 ? 0.3753 0.3104 0.4734 0.0873 0.0899 0.0168 153 PHE E CB 6858 C CG . PHE E 138 ? 0.3899 0.3332 0.4876 0.1072 0.1027 0.0216 153 PHE E CG 6859 C CD1 . PHE E 138 ? 0.4485 0.3711 0.5244 0.1200 0.1189 0.0233 153 PHE E CD1 6860 C CD2 . PHE E 138 ? 0.3879 0.3602 0.5049 0.1145 0.1003 0.0253 153 PHE E CD2 6861 C CE1 . PHE E 138 ? 0.4666 0.3948 0.5391 0.1430 0.1333 0.0304 153 PHE E CE1 6862 C CE2 . PHE E 138 ? 0.4257 0.4097 0.5414 0.1363 0.1127 0.0321 153 PHE E CE2 6863 C CZ . PHE E 138 ? 0.4313 0.3925 0.5245 0.1520 0.1297 0.0355 153 PHE E CZ 6864 N N . THR E 139 ? 0.4045 0.2533 0.4526 0.0795 0.1010 0.0038 154 THR E N 6865 C CA . THR E 139 ? 0.4112 0.2375 0.4505 0.0748 0.1027 -0.0015 154 THR E CA 6866 C C . THR E 139 ? 0.5179 0.3103 0.5309 0.0859 0.1246 -0.0025 154 THR E C 6867 O O . THR E 139 ? 0.5404 0.3233 0.5383 0.0970 0.1389 0.0006 154 THR E O 6868 C CB . THR E 139 ? 0.4687 0.2868 0.4988 0.0532 0.0923 -0.0090 154 THR E CB 6869 O OG1 . THR E 139 ? 0.4361 0.2424 0.4629 0.0459 0.0916 -0.0143 154 THR E OG1 6870 C CG2 . THR E 139 ? 0.4889 0.2855 0.4900 0.0438 0.1009 -0.0143 154 THR E CG2 6871 N N . ASP E 140 ? 0.4974 0.2693 0.5030 0.0830 0.1285 -0.0066 155 ASP E N 6872 C CA . ASP E 140 ? 0.5416 0.2706 0.5167 0.0903 0.1512 -0.0089 155 ASP E CA 6873 C C . ASP E 140 ? 0.6175 0.3497 0.5940 0.1210 0.1667 0.0029 155 ASP E C 6874 O O . ASP E 140 ? 0.6637 0.3570 0.6093 0.1337 0.1907 0.0043 155 ASP E O 6875 C CB . ASP E 140 ? 0.6081 0.2981 0.5453 0.0765 0.1650 -0.0178 155 ASP E CB 6876 C CG . ASP E 140 ? 0.7078 0.4032 0.6426 0.0463 0.1497 -0.0286 155 ASP E CG 6877 O OD1 . ASP E 140 ? 0.6573 0.3734 0.6121 0.0366 0.1338 -0.0304 155 ASP E OD1 6878 O OD2 . ASP E 140 ? 0.8149 0.4970 0.7276 0.0333 0.1538 -0.0346 155 ASP E OD2 6879 N N . PHE E 141 ? 0.5493 0.3277 0.5590 0.1328 0.1546 0.0115 156 PHE E N 6880 C CA . PHE E 141 ? 0.5556 0.3521 0.5713 0.1617 0.1662 0.0239 156 PHE E CA 6881 C C . PHE E 141 ? 0.6332 0.4168 0.6483 0.1690 0.1704 0.0254 156 PHE E C 6882 O O . PHE E 141 ? 0.6092 0.3822 0.6286 0.1496 0.1594 0.0168 156 PHE E O 6883 C CB . PHE E 141 ? 0.5357 0.3923 0.5850 0.1664 0.1520 0.0308 156 PHE E CB 6884 C CG . PHE E 141 ? 0.5127 0.3975 0.5910 0.1479 0.1287 0.0263 156 PHE E CG 6885 C CD1 . PHE E 141 ? 0.5407 0.4255 0.6236 0.1260 0.1147 0.0193 156 PHE E CD1 6886 C CD2 . PHE E 141 ? 0.5143 0.4254 0.6131 0.1542 0.1225 0.0302 156 PHE E CD2 6887 C CE1 . PHE E 141 ? 0.5216 0.4272 0.6272 0.1124 0.0968 0.0169 156 PHE E CE1 6888 C CE2 . PHE E 141 ? 0.5202 0.4522 0.6421 0.1377 0.1039 0.0261 156 PHE E CE2 6889 C CZ . PHE E 141 ? 0.4902 0.4175 0.6146 0.1179 0.0921 0.0198 156 PHE E CZ 6890 N N . ASP E 142 ? 0.6408 0.4259 0.6490 0.1979 0.1874 0.0370 157 ASP E N 6891 C CA . ASP E 142 ? 0.6618 0.4335 0.6665 0.2088 0.1942 0.0405 157 ASP E CA 6892 C C . ASP E 142 ? 0.6873 0.5130 0.7314 0.2066 0.1726 0.0434 157 ASP E C 6893 O O . ASP E 142 ? 0.6519 0.5234 0.7222 0.1996 0.1565 0.0439 157 ASP E O 6894 C CB . ASP E 142 ? 0.7308 0.4836 0.7101 0.2444 0.2225 0.0544 157 ASP E CB 6895 C CG . ASP E 142 ? 0.8833 0.6936 0.8809 0.2721 0.2239 0.0699 157 ASP E CG 6896 O OD1 . ASP E 142 ? 0.8624 0.7184 0.8855 0.2606 0.2067 0.0679 157 ASP E OD1 6897 O OD2 . ASP E 142 ? 0.9994 0.8095 0.9834 0.3056 0.2440 0.0846 157 ASP E OD2 6898 N N . SER E 143 ? 0.6566 0.4738 0.7018 0.2114 0.1742 0.0449 158 SER E N 6899 C CA . SER E 143 ? 0.6171 0.4801 0.6954 0.2089 0.1562 0.0468 158 SER E CA 6900 C C . SER E 143 ? 0.6619 0.5820 0.7576 0.2326 0.1572 0.0606 158 SER E C 6901 O O . SER E 143 ? 0.6272 0.5941 0.7514 0.2253 0.1408 0.0605 158 SER E O 6902 C CB . SER E 143 ? 0.6633 0.4998 0.7353 0.2076 0.1592 0.0445 158 SER E CB 6903 O OG . SER E 143 ? 0.7468 0.5603 0.8192 0.1787 0.1478 0.0308 158 SER E OG 6904 N N . GLN E 144 ? 0.6469 0.5654 0.7243 0.2596 0.1770 0.0720 159 GLN E N 6905 C CA . GLN E 144 ? 0.6351 0.6154 0.7271 0.2843 0.1799 0.0866 159 GLN E CA 6906 C C . GLN E 144 ? 0.6600 0.6892 0.7743 0.2692 0.1655 0.0831 159 GLN E C 6907 O O . GLN E 144 ? 0.6287 0.7229 0.7623 0.2791 0.1619 0.0915 159 GLN E O 6908 C CB . GLN E 144 ? 0.6986 0.6584 0.7606 0.3210 0.2085 0.1014 159 GLN E CB 6909 N N . THR E 145 ? 0.6288 0.6287 0.7393 0.2440 0.1578 0.0707 160 THR E N 6910 C CA . THR E 145 ? 0.6072 0.6399 0.7334 0.2268 0.1457 0.0661 160 THR E CA 6911 C C . THR E 145 ? 0.6328 0.6735 0.7799 0.1966 0.1238 0.0547 160 THR E C 6912 O O . THR E 145 ? 0.6278 0.6336 0.7717 0.1856 0.1184 0.0479 160 THR E O 6913 C CB . THR E 145 ? 0.7225 0.7154 0.8255 0.2239 0.1553 0.0625 160 THR E CB 6914 O OG1 . THR E 145 ? 0.7561 0.7361 0.8362 0.2545 0.1789 0.0739 160 THR E OG1 6915 C CG2 . THR E 145 ? 0.6788 0.7035 0.7946 0.2088 0.1458 0.0592 160 THR E CG2 6916 N N . ASN E 146 ? 0.5751 0.6616 0.7416 0.1835 0.1132 0.0530 161 ASN E N 6917 C CA . ASN E 146 ? 0.5531 0.6462 0.7355 0.1565 0.0962 0.0435 161 ASN E CA 6918 C C . ASN E 146 ? 0.6112 0.7274 0.7989 0.1407 0.0920 0.0402 161 ASN E C 6919 O O . ASN E 146 ? 0.6194 0.7495 0.8005 0.1502 0.1008 0.0450 161 ASN E O 6920 C CB . ASN E 146 ? 0.5520 0.6810 0.7524 0.1557 0.0898 0.0447 161 ASN E CB 6921 C CG . ASN E 146 ? 0.8542 0.9638 1.0627 0.1349 0.0769 0.0357 161 ASN E CG 6922 O OD1 . ASN E 146 ? 0.7588 0.8500 0.9668 0.1162 0.0697 0.0287 161 ASN E OD1 6923 N ND2 . ASN E 146 ? 0.7632 0.8781 0.9787 0.1397 0.0749 0.0368 161 ASN E ND2 6924 N N . VAL E 147 ? 0.5622 0.6794 0.7593 0.1172 0.0803 0.0325 162 VAL E N 6925 C CA . VAL E 147 ? 0.5592 0.6913 0.7577 0.0993 0.0777 0.0285 162 VAL E CA 6926 C C . VAL E 147 ? 0.5958 0.7645 0.8082 0.0820 0.0725 0.0244 162 VAL E C 6927 O O . VAL E 147 ? 0.5791 0.7385 0.7973 0.0757 0.0665 0.0210 162 VAL E O 6928 C CB . VAL E 147 ? 0.6134 0.6995 0.8004 0.0859 0.0729 0.0231 162 VAL E CB 6929 C CG1 . VAL E 147 ? 0.6278 0.6903 0.7983 0.0965 0.0803 0.0256 162 VAL E CG1 6930 C CG2 . VAL E 147 ? 0.6054 0.6586 0.7932 0.0804 0.0646 0.0193 162 VAL E CG2 6931 N N . SER E 148 ? 0.5586 0.7694 0.7744 0.0727 0.0760 0.0239 163 SER E N 6932 C CA . SER E 148 ? 0.5570 0.8034 0.7809 0.0499 0.0737 0.0176 163 SER E CA 6933 C C . SER E 148 ? 0.6383 0.8485 0.8516 0.0251 0.0721 0.0093 163 SER E C 6934 O O . SER E 148 ? 0.6424 0.8122 0.8448 0.0285 0.0720 0.0103 163 SER E O 6935 C CB . SER E 148 ? 0.5980 0.9153 0.8299 0.0507 0.0796 0.0210 163 SER E CB 6936 O OG . SER E 148 ? 0.7192 1.0421 0.9443 0.0485 0.0852 0.0220 163 SER E OG 6937 N N . GLN E 149 ? 0.6115 0.8333 0.8247 0.0003 0.0724 0.0014 164 GLN E N 6938 C CA . GLN E 149 ? 0.6310 0.8129 0.8292 -0.0217 0.0747 -0.0054 164 GLN E CA 6939 C C . GLN E 149 ? 0.7005 0.8968 0.8903 -0.0328 0.0816 -0.0065 164 GLN E C 6940 O O . GLN E 149 ? 0.6867 0.9367 0.8849 -0.0294 0.0848 -0.0042 164 GLN E O 6941 C CB . GLN E 149 ? 0.6554 0.8353 0.8501 -0.0453 0.0767 -0.0142 164 GLN E CB 6942 C CG . GLN E 149 ? 0.7882 0.9414 0.9881 -0.0356 0.0705 -0.0133 164 GLN E CG 6943 C CD . GLN E 149 ? 1.0385 1.1328 1.2309 -0.0234 0.0665 -0.0093 164 GLN E CD 6944 O OE1 . GLN E 149 ? 0.9580 1.0431 1.1579 -0.0027 0.0600 -0.0035 164 GLN E OE1 6945 N NE2 . GLN E 149 ? 0.9787 1.0330 1.1541 -0.0364 0.0714 -0.0118 164 GLN E NE2 6946 N N . SER E 150 ? 0.6837 0.8329 0.8564 -0.0435 0.0844 -0.0088 165 SER E N 6947 C CA . SER E 150 ? 0.6989 0.8492 0.8597 -0.0545 0.0914 -0.0098 165 SER E CA 6948 C C . SER E 150 ? 0.7597 0.9539 0.9183 -0.0826 0.1002 -0.0181 165 SER E C 6949 O O . SER E 150 ? 0.7631 0.9615 0.9188 -0.1026 0.1031 -0.0259 165 SER E O 6950 C CB . SER E 150 ? 0.7687 0.8560 0.9094 -0.0593 0.0932 -0.0095 165 SER E CB 6951 O OG . SER E 150 ? 0.9105 0.9951 1.0388 -0.0668 0.0997 -0.0093 165 SER E OG 6952 N N . LYS E 151 ? 0.7174 0.9447 0.8758 -0.0855 0.1052 -0.0171 166 LYS E N 6953 C CA . LYS E 151 ? 0.7251 1.0027 0.8812 -0.1137 0.1142 -0.0250 166 LYS E CA 6954 C C . LYS E 151 ? 0.7958 1.0335 0.9274 -0.1365 0.1243 -0.0304 166 LYS E C 6955 O O . LYS E 151 ? 0.8101 1.0733 0.9321 -0.1679 0.1344 -0.0399 166 LYS E O 6956 C CB . LYS E 151 ? 0.7395 1.0926 0.9140 -0.0990 0.1139 -0.0187 166 LYS E CB 6957 C CG . LYS E 151 ? 0.8626 1.2764 1.0576 -0.0891 0.1090 -0.0161 166 LYS E CG 6958 C CD . LYS E 151 ? 0.9197 1.3075 1.1244 -0.0538 0.1005 -0.0063 166 LYS E CD 6959 C CE . LYS E 151 ? 0.9932 1.4303 1.2140 -0.0468 0.0964 -0.0043 166 LYS E CE 6960 N NZ . LYS E 151 ? 1.1006 1.5283 1.3164 -0.0761 0.0956 -0.0160 166 LYS E NZ 6961 N N . ASP E 152 ? 0.7503 0.9258 0.8698 -0.1218 0.1222 -0.0245 167 ASP E N 6962 C CA . ASP E 152 ? 0.7753 0.9033 0.8689 -0.1371 0.1316 -0.0266 167 ASP E CA 6963 C C . ASP E 152 ? 0.8312 0.8980 0.9045 -0.1492 0.1367 -0.0303 167 ASP E C 6964 O O . ASP E 152 ? 0.8178 0.8651 0.8986 -0.1341 0.1287 -0.0271 167 ASP E O 6965 C CB . ASP E 152 ? 0.7957 0.8960 0.8865 -0.1126 0.1266 -0.0169 167 ASP E CB 6966 C CG . ASP E 152 ? 0.9508 1.0358 1.0218 -0.1261 0.1366 -0.0178 167 ASP E CG 6967 O OD1 . ASP E 152 ? 0.9911 1.0307 1.0374 -0.1446 0.1463 -0.0214 167 ASP E OD1 6968 O OD2 . ASP E 152 ? 1.0179 1.1315 1.0955 -0.1163 0.1362 -0.0142 167 ASP E OD2 6969 N N . SER E 153 ? 0.8069 0.8419 0.8523 -0.1760 0.1519 -0.0367 168 SER E N 6970 C CA . SER E 153 ? 0.8279 0.7977 0.8464 -0.1876 0.1624 -0.0395 168 SER E CA 6971 C C . SER E 153 ? 0.8465 0.7561 0.8552 -0.1598 0.1576 -0.0269 168 SER E C 6972 O O . SER E 153 ? 0.8432 0.7146 0.8457 -0.1512 0.1575 -0.0240 168 SER E O 6973 C CB . SER E 153 ? 0.9144 0.8635 0.9007 -0.2242 0.1837 -0.0496 168 SER E CB 6974 N N . ASP E 154 ? 0.7722 0.6784 0.7797 -0.1458 0.1537 -0.0193 169 ASP E N 6975 C CA . ASP E 154 ? 0.7621 0.6223 0.7593 -0.1215 0.1488 -0.0071 169 ASP E CA 6976 C C . ASP E 154 ? 0.7085 0.5869 0.7314 -0.0919 0.1296 0.0004 169 ASP E C 6977 O O . ASP E 154 ? 0.7057 0.5518 0.7217 -0.0734 0.1244 0.0096 169 ASP E O 6978 C CB . ASP E 154 ? 0.8134 0.6610 0.7928 -0.1246 0.1555 -0.0037 169 ASP E CB 6979 C CG . ASP E 154 ? 1.0355 0.8542 0.9828 -0.1538 0.1769 -0.0102 169 ASP E CG 6980 O OD1 . ASP E 154 ? 1.0708 0.8755 1.0064 -0.1744 0.1885 -0.0185 169 ASP E OD1 6981 O OD2 . ASP E 154 ? 1.1431 0.9511 1.0747 -0.1576 0.1835 -0.0077 169 ASP E OD2 6982 N N . VAL E 155 ? 0.5811 0.5109 0.6310 -0.0876 0.1207 -0.0031 170 VAL E N 6983 C CA . VAL E 155 ? 0.5244 0.4680 0.5945 -0.0623 0.1060 0.0026 170 VAL E CA 6984 C C . VAL E 155 ? 0.5049 0.4545 0.5901 -0.0572 0.0998 0.0009 170 VAL E C 6985 O O . VAL E 155 ? 0.4976 0.4712 0.5890 -0.0719 0.1041 -0.0062 170 VAL E O 6986 C CB . VAL E 155 ? 0.5529 0.5413 0.6376 -0.0553 0.1033 0.0025 170 VAL E CB 6987 C CG1 . VAL E 155 ? 0.5246 0.5209 0.6248 -0.0315 0.0922 0.0070 170 VAL E CG1 6988 C CG2 . VAL E 155 ? 0.5679 0.5467 0.6369 -0.0584 0.1089 0.0047 170 VAL E CG2 6989 N N . TYR E 156 ? 0.4072 0.3369 0.4971 -0.0380 0.0900 0.0070 171 TYR E N 6990 C CA . TYR E 156 ? 0.3671 0.2994 0.4712 -0.0302 0.0832 0.0066 171 TYR E CA 6991 C C . TYR E 156 ? 0.3978 0.3511 0.5192 -0.0120 0.0728 0.0092 171 TYR E C 6992 O O . TYR E 156 ? 0.4032 0.3478 0.5198 -0.0020 0.0691 0.0133 171 TYR E O 6993 C CB . TYR E 156 ? 0.3787 0.2684 0.4708 -0.0240 0.0829 0.0119 171 TYR E CB 6994 C CG . TYR E 156 ? 0.4019 0.2588 0.4706 -0.0396 0.0973 0.0104 171 TYR E CG 6995 C CD1 . TYR E 156 ? 0.4227 0.2767 0.4893 -0.0546 0.1052 0.0032 171 TYR E CD1 6996 C CD2 . TYR E 156 ? 0.4362 0.2613 0.4814 -0.0398 0.1048 0.0160 171 TYR E CD2 6997 C CE1 . TYR E 156 ? 0.4587 0.2743 0.4976 -0.0711 0.1222 0.0005 171 TYR E CE1 6998 C CE2 . TYR E 156 ? 0.4852 0.2720 0.5033 -0.0540 0.1217 0.0150 171 TYR E CE2 6999 C CZ . TYR E 156 ? 0.5501 0.3297 0.5639 -0.0702 0.1313 0.0067 171 TYR E CZ 7000 O OH . TYR E 156 ? 0.5886 0.3226 0.5700 -0.0860 0.1515 0.0046 171 TYR E OH 7001 N N . ILE E 157 ? 0.3263 0.3047 0.4648 -0.0085 0.0695 0.0065 172 ILE E N 7002 C CA . ILE E 157 ? 0.3024 0.2949 0.4538 0.0088 0.0628 0.0089 172 ILE E CA 7003 C C . ILE E 157 ? 0.3516 0.3383 0.5129 0.0134 0.0574 0.0083 172 ILE E C 7004 O O . ILE E 157 ? 0.3422 0.3394 0.5082 0.0036 0.0599 0.0045 172 ILE E O 7005 C CB . ILE E 157 ? 0.3284 0.3632 0.4892 0.0130 0.0670 0.0084 172 ILE E CB 7006 C CG1 . ILE E 157 ? 0.3471 0.3833 0.4976 0.0136 0.0719 0.0102 172 ILE E CG1 7007 C CG2 . ILE E 157 ? 0.3105 0.3557 0.4818 0.0317 0.0640 0.0113 172 ILE E CG2 7008 C CD1 . ILE E 157 ? 0.4107 0.4862 0.5643 0.0043 0.0793 0.0083 172 ILE E CD1 7009 N N . THR E 158 ? 0.3123 0.2828 0.4750 0.0260 0.0506 0.0114 173 THR E N 7010 C CA . THR E 158 ? 0.3095 0.2746 0.4816 0.0316 0.0451 0.0113 173 THR E CA 7011 C C . THR E 158 ? 0.3841 0.3735 0.5688 0.0398 0.0453 0.0102 173 THR E C 7012 O O . THR E 158 ? 0.3870 0.3962 0.5720 0.0444 0.0498 0.0110 173 THR E O 7013 C CB . THR E 158 ? 0.3906 0.3339 0.5576 0.0392 0.0386 0.0146 173 THR E CB 7014 O OG1 . THR E 158 ? 0.3671 0.3135 0.5313 0.0460 0.0384 0.0143 173 THR E OG1 7015 C CG2 . THR E 158 ? 0.3903 0.3133 0.5437 0.0359 0.0385 0.0186 173 THR E CG2 7016 N N . ASP E 159 ? 0.3555 0.3423 0.5489 0.0443 0.0413 0.0097 174 ASP E N 7017 C CA . ASP E 159 ? 0.3557 0.3600 0.5581 0.0548 0.0422 0.0102 174 ASP E CA 7018 C C . ASP E 159 ? 0.4218 0.4095 0.6165 0.0658 0.0428 0.0119 174 ASP E C 7019 O O . ASP E 159 ? 0.4301 0.3968 0.6152 0.0626 0.0399 0.0117 174 ASP E O 7020 C CB . ASP E 159 ? 0.3761 0.3805 0.5885 0.0541 0.0385 0.0086 174 ASP E CB 7021 C CG . ASP E 159 ? 0.5672 0.5937 0.7857 0.0433 0.0409 0.0054 174 ASP E CG 7022 O OD1 . ASP E 159 ? 0.5997 0.6389 0.8136 0.0323 0.0452 0.0036 174 ASP E OD1 7023 O OD2 . ASP E 159 ? 0.6427 0.6742 0.8691 0.0437 0.0390 0.0040 174 ASP E OD2 7024 N N . LYS E 160 ? 0.3810 0.3771 0.5768 0.0782 0.0481 0.0138 175 LYS E N 7025 C CA . LYS E 160 ? 0.3902 0.3625 0.5733 0.0863 0.0524 0.0139 175 LYS E CA 7026 C C . LYS E 160 ? 0.4413 0.3948 0.6261 0.0815 0.0457 0.0108 175 LYS E C 7027 O O . LYS E 160 ? 0.4174 0.3794 0.6149 0.0799 0.0409 0.0105 175 LYS E O 7028 C CB . LYS E 160 ? 0.4271 0.4073 0.6059 0.1035 0.0638 0.0183 175 LYS E CB 7029 C CG . LYS E 160 ? 0.6278 0.6204 0.8167 0.1120 0.0643 0.0205 175 LYS E CG 7030 C CD . LYS E 160 ? 0.7751 0.7626 0.9522 0.1326 0.0784 0.0265 175 LYS E CD 7031 C CE . LYS E 160 ? 0.9114 0.9062 1.0954 0.1419 0.0795 0.0294 175 LYS E CE 7032 N NZ . LYS E 160 ? 1.0707 1.0636 1.2414 0.1663 0.0956 0.0382 175 LYS E NZ 7033 N N . CYS E 161 ? 0.4225 0.3536 0.5941 0.0774 0.0456 0.0081 176 CYS E N 7034 C CA . CYS E 161 ? 0.4211 0.3417 0.5938 0.0706 0.0389 0.0050 176 CYS E CA 7035 C C . CYS E 161 ? 0.4748 0.3728 0.6285 0.0682 0.0460 0.0006 176 CYS E C 7036 O O . CYS E 161 ? 0.4975 0.3842 0.6347 0.0658 0.0514 -0.0008 176 CYS E O 7037 C CB . CYS E 161 ? 0.4300 0.3543 0.6054 0.0621 0.0294 0.0060 176 CYS E CB 7038 S SG . CYS E 161 ? 0.4828 0.4066 0.6614 0.0558 0.0204 0.0046 176 CYS E SG 7039 N N . VAL E 162 ? 0.4069 0.2957 0.5599 0.0671 0.0476 -0.0023 177 VAL E N 7040 C CA . VAL E 162 ? 0.4239 0.2862 0.5534 0.0611 0.0577 -0.0083 177 VAL E CA 7041 C C . VAL E 162 ? 0.4544 0.3190 0.5815 0.0437 0.0494 -0.0143 177 VAL E C 7042 O O . VAL E 162 ? 0.4206 0.3003 0.5641 0.0418 0.0406 -0.0136 177 VAL E O 7043 C CB . VAL E 162 ? 0.4876 0.3306 0.6077 0.0721 0.0721 -0.0077 177 VAL E CB 7044 C CG1 . VAL E 162 ? 0.4664 0.3187 0.6028 0.0732 0.0665 -0.0073 177 VAL E CG1 7045 C CG2 . VAL E 162 ? 0.5249 0.3300 0.6123 0.0650 0.0880 -0.0144 177 VAL E CG2 7046 N N . LEU E 163 ? 0.4307 0.2839 0.5368 0.0308 0.0528 -0.0200 178 LEU E N 7047 C CA . LEU E 163 ? 0.4367 0.2994 0.5373 0.0119 0.0461 -0.0264 178 LEU E CA 7048 C C . LEU E 163 ? 0.5454 0.3779 0.6184 -0.0014 0.0612 -0.0367 178 LEU E C 7049 O O . LEU E 163 ? 0.5592 0.3579 0.6117 0.0052 0.0782 -0.0380 178 LEU E O 7050 C CB . LEU E 163 ? 0.4330 0.3133 0.5296 0.0034 0.0372 -0.0256 178 LEU E CB 7051 C CG . LEU E 163 ? 0.5073 0.3674 0.5789 -0.0014 0.0470 -0.0293 178 LEU E CG 7052 C CD1 . LEU E 163 ? 0.5442 0.3922 0.5877 -0.0246 0.0539 -0.0412 178 LEU E CD1 7053 C CD2 . LEU E 163 ? 0.5067 0.3864 0.5847 0.0015 0.0370 -0.0229 178 LEU E CD2 7054 N N . ASP E 164 ? 0.5326 0.3770 0.6033 -0.0198 0.0568 -0.0437 179 ASP E N 7055 C CA . ASP E 164 ? 0.5777 0.3932 0.6191 -0.0386 0.0720 -0.0556 179 ASP E CA 7056 C C . ASP E 164 ? 0.6444 0.4822 0.6734 -0.0665 0.0660 -0.0649 179 ASP E C 7057 O O . ASP E 164 ? 0.6115 0.4929 0.6612 -0.0721 0.0499 -0.0628 179 ASP E O 7058 C CB . ASP E 164 ? 0.6053 0.4145 0.6549 -0.0357 0.0756 -0.0563 179 ASP E CB 7059 C CG . ASP E 164 ? 0.8916 0.6716 0.9099 -0.0592 0.0918 -0.0697 179 ASP E CG 7060 O OD1 . ASP E 164 ? 0.9535 0.6830 0.9404 -0.0571 0.1141 -0.0734 179 ASP E OD1 7061 O OD2 . ASP E 164 ? 0.9987 0.8060 1.0216 -0.0799 0.0839 -0.0763 179 ASP E OD2 7062 N N . MET E 165 ? 0.6526 0.4630 0.6468 -0.0832 0.0796 -0.0746 180 MET E N 7063 C CA . MET E 165 ? 0.6798 0.5109 0.6557 -0.1144 0.0766 -0.0859 180 MET E CA 7064 C C . MET E 165 ? 0.7938 0.6071 0.7485 -0.1388 0.0896 -0.0994 180 MET E C 7065 O O . MET E 165 ? 0.8394 0.5968 0.7576 -0.1476 0.1135 -0.1087 180 MET E O 7066 C CB . MET E 165 ? 0.7385 0.5465 0.6843 -0.1230 0.0864 -0.0911 180 MET E CB 7067 C CG . MET E 165 ? 0.7502 0.5829 0.7166 -0.1035 0.0720 -0.0785 180 MET E CG 7068 S SD . MET E 165 ? 0.8335 0.6353 0.7651 -0.1103 0.0850 -0.0836 180 MET E SD 7069 C CE . MET E 165 ? 0.8085 0.6522 0.7243 -0.1467 0.0751 -0.0947 180 MET E CE 7070 N N . ARG E 166 ? 0.7515 0.6089 0.7290 -0.1465 0.0758 -0.0991 181 ARG E N 7071 C CA . ARG E 166 ? 0.7836 0.6353 0.7479 -0.1700 0.0850 -0.1109 181 ARG E CA 7072 C C . ARG E 166 ? 0.8996 0.7278 0.8171 -0.2099 0.1027 -0.1306 181 ARG E C 7073 O O . ARG E 166 ? 0.9340 0.7083 0.8198 -0.2223 0.1261 -0.1411 181 ARG E O 7074 C CB . ARG E 166 ? 0.7734 0.6935 0.7717 -0.1737 0.0637 -0.1065 181 ARG E CB 7075 C CG . ARG E 166 ? 0.9151 0.8439 0.9505 -0.1429 0.0542 -0.0926 181 ARG E CG 7076 C CD . ARG E 166 ? 1.0550 1.0508 1.1215 -0.1441 0.0349 -0.0870 181 ARG E CD 7077 N NE . ARG E 166 ? 1.2054 1.2177 1.2608 -0.1741 0.0400 -0.1000 181 ARG E NE 7078 C CZ . ARG E 166 ? 1.4016 1.4605 1.4469 -0.2045 0.0353 -0.1091 181 ARG E CZ 7079 N NH1 . ARG E 166 ? 1.2578 1.3320 1.2926 -0.2336 0.0414 -0.1217 181 ARG E NH1 7080 N NH2 . ARG E 166 ? 1.2271 1.3206 1.2717 -0.2070 0.0247 -0.1057 181 ARG E NH2 7081 N N . SER E 167 ? 0.8706 0.7377 0.7811 -0.2302 0.0931 -0.1355 182 SER E N 7082 C CA . SER E 167 ? 0.9268 0.7822 0.7924 -0.2732 0.1077 -0.1555 182 SER E CA 7083 C C . SER E 167 ? 1.0418 0.8120 0.8607 -0.2756 0.1372 -0.1640 182 SER E C 7084 O O . SER E 167 ? 1.0989 0.8293 0.8723 -0.3097 0.1603 -0.1825 182 SER E O 7085 C CB . SER E 167 ? 0.9581 0.8793 0.8302 -0.2877 0.0888 -0.1552 182 SER E CB 7086 N N . MET E 168 ? 0.9866 0.7285 0.8143 -0.2402 0.1384 -0.1505 183 MET E N 7087 C CA . MET E 168 ? 1.0348 0.6997 0.8207 -0.2353 0.1666 -0.1550 183 MET E CA 7088 C C . MET E 168 ? 1.0808 0.6887 0.8631 -0.2070 0.1853 -0.1476 183 MET E C 7089 O O . MET E 168 ? 1.1238 0.6633 0.8671 -0.2007 0.2132 -0.1504 183 MET E O 7090 C CB . MET E 168 ? 1.0496 0.7218 0.8442 -0.2148 0.1585 -0.1449 183 MET E CB 7091 C CG . MET E 168 ? 1.1098 0.8226 0.8939 -0.2437 0.1475 -0.1535 183 MET E CG 7092 S SD . MET E 168 ? 1.1548 0.8703 0.9453 -0.2202 0.1405 -0.1419 183 MET E SD 7093 C CE . MET E 168 ? 1.1971 0.8307 0.9201 -0.2412 0.1775 -0.1590 183 MET E CE 7094 N N . ASP E 169 ? 0.9853 0.6213 0.8056 -0.1895 0.1714 -0.1378 184 ASP E N 7095 C CA . ASP E 169 ? 0.9759 0.5726 0.8002 -0.1601 0.1842 -0.1283 184 ASP E CA 7096 C C . ASP E 169 ? 0.9992 0.5666 0.8225 -0.1241 0.1925 -0.1151 184 ASP E C 7097 O O . ASP E 169 ? 1.0469 0.5504 0.8337 -0.1137 0.2211 -0.1154 184 ASP E O 7098 C CB . ASP E 169 ? 1.0645 0.6008 0.8436 -0.1811 0.2140 -0.1419 184 ASP E CB 7099 C CG . ASP E 169 ? 1.2076 0.7778 0.9893 -0.2176 0.2063 -0.1551 184 ASP E CG 7100 O OD1 . ASP E 169 ? 1.1682 0.7874 0.9929 -0.2066 0.1851 -0.1468 184 ASP E OD1 7101 O OD2 . ASP E 169 ? 1.3281 0.8757 1.0673 -0.2580 0.2230 -0.1743 184 ASP E OD2 7102 N N . PHE E 170 ? 0.8736 0.4898 0.7345 -0.1067 0.1685 -0.1035 185 PHE E N 7103 C CA . PHE E 170 ? 0.8425 0.4505 0.7104 -0.0764 0.1702 -0.0911 185 PHE E CA 7104 C C . PHE E 170 ? 0.7836 0.4407 0.7026 -0.0496 0.1463 -0.0754 185 PHE E C 7105 O O . PHE E 170 ? 0.7386 0.4450 0.6871 -0.0577 0.1232 -0.0743 185 PHE E O 7106 C CB . PHE E 170 ? 0.8813 0.4940 0.7326 -0.0916 0.1685 -0.0969 185 PHE E CB 7107 C CG . PHE E 170 ? 0.8848 0.4996 0.7459 -0.0650 0.1669 -0.0850 185 PHE E CG 7108 C CD1 . PHE E 170 ? 0.9612 0.5240 0.7917 -0.0484 0.1929 -0.0826 185 PHE E CD1 7109 C CD2 . PHE E 170 ? 0.8612 0.5290 0.7590 -0.0572 0.1414 -0.0763 185 PHE E CD2 7110 C CE1 . PHE E 170 ? 0.9584 0.5292 0.7987 -0.0251 0.1916 -0.0718 185 PHE E CE1 7111 C CE2 . PHE E 170 ? 0.8850 0.5553 0.7901 -0.0361 0.1411 -0.0666 185 PHE E CE2 7112 C CZ . PHE E 170 ? 0.8971 0.5223 0.7750 -0.0208 0.1652 -0.0647 185 PHE E CZ 7113 N N . LYS E 171 ? 0.6989 0.3432 0.6258 -0.0180 0.1535 -0.0632 186 LYS E N 7114 C CA . LYS E 171 ? 0.6287 0.3144 0.5983 0.0059 0.1351 -0.0495 186 LYS E CA 7115 C C . LYS E 171 ? 0.6397 0.3315 0.6135 0.0242 0.1357 -0.0410 186 LYS E C 7116 O O . LYS E 171 ? 0.6751 0.3299 0.6199 0.0331 0.1567 -0.0406 186 LYS E O 7117 C CB . LYS E 171 ? 0.6515 0.3284 0.6300 0.0252 0.1420 -0.0426 186 LYS E CB 7118 C CG . LYS E 171 ? 0.8064 0.5012 0.8008 0.0112 0.1307 -0.0473 186 LYS E CG 7119 C CD . LYS E 171 ? 0.8848 0.5715 0.8874 0.0299 0.1371 -0.0404 186 LYS E CD 7120 C CE . LYS E 171 ? 0.9434 0.6567 0.9690 0.0187 0.1225 -0.0433 186 LYS E CE 7121 N NZ . LYS E 171 ? 1.0903 0.7803 1.0903 -0.0084 0.1323 -0.0566 186 LYS E NZ 7122 N N . SER E 172 ? 0.5204 0.2563 0.5273 0.0297 0.1146 -0.0341 187 SER E N 7123 C CA . SER E 172 ? 0.5002 0.2464 0.5127 0.0444 0.1144 -0.0265 187 SER E CA 7124 C C . SER E 172 ? 0.5029 0.2917 0.5530 0.0562 0.0967 -0.0172 187 SER E C 7125 O O . SER E 172 ? 0.4790 0.2930 0.5491 0.0468 0.0796 -0.0178 187 SER E O 7126 C CB . SER E 172 ? 0.5456 0.2884 0.5411 0.0282 0.1129 -0.0325 187 SER E CB 7127 O OG . SER E 172 ? 0.6104 0.3818 0.6185 0.0096 0.0940 -0.0363 187 SER E OG 7128 N N . ASN E 173 ? 0.4411 0.2381 0.4980 0.0764 0.1028 -0.0087 188 ASN E N 7129 C CA . ASN E 173 ? 0.4001 0.2355 0.4868 0.0852 0.0904 -0.0012 188 ASN E CA 7130 C C . ASN E 173 ? 0.4454 0.2943 0.5343 0.0785 0.0831 -0.0007 188 ASN E C 7131 O O . ASN E 173 ? 0.4687 0.3008 0.5371 0.0780 0.0927 -0.0023 188 ASN E O 7132 C CB . ASN E 173 ? 0.3923 0.2383 0.4835 0.1080 0.1011 0.0075 188 ASN E CB 7133 C CG . ASN E 173 ? 0.5558 0.3947 0.6478 0.1187 0.1076 0.0100 188 ASN E CG 7134 O OD1 . ASN E 173 ? 0.4382 0.2906 0.5482 0.1131 0.0964 0.0087 188 ASN E OD1 7135 N ND2 . ASN E 173 ? 0.4374 0.2562 0.5096 0.1371 0.1272 0.0151 188 ASN E ND2 7136 N N . SER E 174 ? 0.3703 0.2456 0.4811 0.0738 0.0683 0.0017 189 SER E N 7137 C CA . SER E 174 ? 0.3615 0.2473 0.4731 0.0678 0.0625 0.0031 189 SER E CA 7138 C C . SER E 174 ? 0.3689 0.2808 0.5019 0.0692 0.0547 0.0076 189 SER E C 7139 O O . SER E 174 ? 0.3388 0.2602 0.4869 0.0694 0.0488 0.0082 189 SER E O 7140 C CB . SER E 174 ? 0.4178 0.2966 0.5206 0.0530 0.0540 -0.0009 189 SER E CB 7141 O OG . SER E 174 ? 0.5285 0.4164 0.6444 0.0481 0.0433 -0.0011 189 SER E OG 7142 N N . ALA E 175 ? 0.3130 0.2342 0.4442 0.0682 0.0564 0.0098 190 ALA E N 7143 C CA . ALA E 175 ? 0.2911 0.2322 0.4350 0.0643 0.0523 0.0123 190 ALA E CA 7144 C C . ALA E 175 ? 0.3289 0.2627 0.4627 0.0556 0.0496 0.0129 190 ALA E C 7145 O O . ALA E 175 ? 0.3355 0.2603 0.4547 0.0557 0.0543 0.0123 190 ALA E O 7146 C CB . ALA E 175 ? 0.2980 0.2639 0.4486 0.0721 0.0603 0.0148 190 ALA E CB 7147 N N . VAL E 176 ? 0.2715 0.2062 0.4102 0.0487 0.0437 0.0146 191 VAL E N 7148 C CA . VAL E 176 ? 0.2791 0.2046 0.4063 0.0424 0.0424 0.0171 191 VAL E CA 7149 C C . VAL E 176 ? 0.3106 0.2449 0.4387 0.0361 0.0481 0.0177 191 VAL E C 7150 O O . VAL E 176 ? 0.2904 0.2341 0.4286 0.0326 0.0493 0.0164 191 VAL E O 7151 C CB . VAL E 176 ? 0.3300 0.2450 0.4556 0.0415 0.0343 0.0204 191 VAL E CB 7152 C CG1 . VAL E 176 ? 0.3459 0.2511 0.4581 0.0383 0.0346 0.0256 191 VAL E CG1 7153 C CG2 . VAL E 176 ? 0.3260 0.2389 0.4484 0.0431 0.0289 0.0186 191 VAL E CG2 7154 N N . ALA E 177 ? 0.2762 0.2073 0.3919 0.0324 0.0523 0.0187 192 ALA E N 7155 C CA . ALA E 177 ? 0.2768 0.2134 0.3884 0.0228 0.0590 0.0186 192 ALA E CA 7156 C C . ALA E 177 ? 0.3472 0.2609 0.4413 0.0185 0.0590 0.0227 192 ALA E C 7157 O O . ALA E 177 ? 0.3403 0.2451 0.4246 0.0229 0.0554 0.0250 192 ALA E O 7158 C CB . ALA E 177 ? 0.2846 0.2431 0.3971 0.0239 0.0662 0.0169 192 ALA E CB 7159 N N . TRP E 178 ? 0.3314 0.2340 0.4188 0.0094 0.0643 0.0238 193 TRP E N 7160 C CA . TRP E 178 ? 0.3628 0.2402 0.4299 0.0076 0.0673 0.0295 193 TRP E CA 7161 C C . TRP E 178 ? 0.4663 0.3341 0.5215 -0.0074 0.0798 0.0275 193 TRP E C 7162 O O . TRP E 178 ? 0.4492 0.3297 0.5125 -0.0180 0.0849 0.0213 193 TRP E O 7163 C CB . TRP E 178 ? 0.3499 0.2083 0.4121 0.0174 0.0616 0.0369 193 TRP E CB 7164 C CG . TRP E 178 ? 0.3676 0.2103 0.4294 0.0155 0.0668 0.0379 193 TRP E CG 7165 C CD1 . TRP E 178 ? 0.4351 0.2478 0.4770 0.0118 0.0778 0.0424 193 TRP E CD1 7166 C CD2 . TRP E 178 ? 0.3441 0.1952 0.4227 0.0178 0.0628 0.0347 193 TRP E CD2 7167 N NE1 . TRP E 178 ? 0.4309 0.2313 0.4752 0.0110 0.0820 0.0415 193 TRP E NE1 7168 C CE2 . TRP E 178 ? 0.4148 0.2408 0.4830 0.0144 0.0720 0.0366 193 TRP E CE2 7169 C CE3 . TRP E 178 ? 0.3285 0.2027 0.4273 0.0223 0.0542 0.0302 193 TRP E CE3 7170 C CZ2 . TRP E 178 ? 0.3971 0.2235 0.4761 0.0145 0.0717 0.0336 193 TRP E CZ2 7171 C CZ3 . TRP E 178 ? 0.3364 0.2122 0.4469 0.0234 0.0531 0.0282 193 TRP E CZ3 7172 C CH2 . TRP E 178 ? 0.3635 0.2170 0.4649 0.0195 0.0610 0.0298 193 TRP E CH2 7173 N N . SER E 179 ? 0.4849 0.3311 0.5187 -0.0096 0.0855 0.0325 194 SER E N 7174 C CA . SER E 179 ? 0.5289 0.3576 0.5440 -0.0252 0.0999 0.0311 194 SER E CA 7175 C C . SER E 179 ? 0.6621 0.4560 0.6506 -0.0194 0.1046 0.0410 194 SER E C 7176 O O . SER E 179 ? 0.6587 0.4549 0.6458 -0.0056 0.0954 0.0476 194 SER E O 7177 C CB . SER E 179 ? 0.5687 0.4267 0.5890 -0.0375 0.1045 0.0239 194 SER E CB 7178 O OG . SER E 179 ? 0.7355 0.5801 0.7371 -0.0565 0.1192 0.0209 194 SER E OG 7179 N N . ASN E 180 ? 0.6878 0.4498 0.6528 -0.0310 0.1205 0.0418 195 ASN E N 7180 C CA . ASN E 180 ? 0.7391 0.4632 0.6736 -0.0253 0.1294 0.0524 195 ASN E CA 7181 C C . ASN E 180 ? 0.8317 0.5602 0.7545 -0.0373 0.1358 0.0497 195 ASN E C 7182 O O . ASN E 180 ? 0.8610 0.5617 0.7582 -0.0325 0.1428 0.0586 195 ASN E O 7183 C CB . ASN E 180 ? 0.7976 0.4748 0.7066 -0.0304 0.1473 0.0554 195 ASN E CB 7184 C CG . ASN E 180 ? 1.1610 0.8321 1.0613 -0.0597 0.1636 0.0423 195 ASN E CG 7185 O OD1 . ASN E 180 ? 1.0874 0.7823 1.0062 -0.0720 0.1616 0.0315 195 ASN E OD1 7186 N ND2 . ASN E 180 ? 1.1180 0.7592 0.9884 -0.0729 0.1806 0.0427 195 ASN E ND2 7187 N N . LYS E 181 ? 0.7879 0.5536 0.7290 -0.0510 0.1341 0.0385 196 LYS E N 7188 C CA . LYS E 181 ? 0.8067 0.5855 0.7413 -0.0626 0.1401 0.0348 196 LYS E CA 7189 C C . LYS E 181 ? 0.8914 0.6751 0.8237 -0.0470 0.1305 0.0417 196 LYS E C 7190 O O . LYS E 181 ? 0.8646 0.6640 0.8124 -0.0320 0.1165 0.0437 196 LYS E O 7191 C CB . LYS E 181 ? 0.8046 0.6308 0.7627 -0.0758 0.1396 0.0233 196 LYS E CB 7192 N N . SER E 182 ? 0.8977 0.6665 0.8080 -0.0528 0.1393 0.0447 197 SER E N 7193 C CA . SER E 182 ? 0.9074 0.6797 0.8107 -0.0418 0.1326 0.0502 197 SER E CA 7194 C C . SER E 182 ? 0.9521 0.7631 0.8742 -0.0444 0.1284 0.0420 197 SER E C 7195 O O . SER E 182 ? 0.9344 0.7558 0.8607 -0.0328 0.1189 0.0434 197 SER E O 7196 C CB . SER E 182 ? 0.9974 0.7385 0.8687 -0.0472 0.1452 0.0566 197 SER E CB 7197 N N . ASP E 183 ? 0.9166 0.7500 0.8484 -0.0597 0.1371 0.0335 198 ASP E N 7198 C CA . ASP E 183 ? 0.8951 0.7701 0.8448 -0.0606 0.1370 0.0272 198 ASP E CA 7199 C C . ASP E 183 ? 0.9004 0.8029 0.8773 -0.0501 0.1277 0.0240 198 ASP E C 7200 O O . ASP E 183 ? 0.8856 0.8250 0.8782 -0.0483 0.1296 0.0201 198 ASP E O 7201 C CB . ASP E 183 ? 0.9331 0.8279 0.8809 -0.0823 0.1510 0.0206 198 ASP E CB 7202 C CG . ASP E 183 ? 1.0849 0.9857 1.0391 -0.0981 0.1559 0.0147 198 ASP E CG 7203 O OD1 . ASP E 183 ? 1.1169 0.9766 1.0524 -0.1048 0.1611 0.0168 198 ASP E OD1 7204 O OD2 . ASP E 183 ? 1.1479 1.0947 1.1238 -0.1030 0.1556 0.0085 198 ASP E OD2 7205 N N . PHE E 184 ? 0.8256 0.7110 0.8068 -0.0417 0.1188 0.0268 199 PHE E N 7206 C CA . PHE E 184 ? 0.7825 0.6880 0.7866 -0.0323 0.1105 0.0243 199 PHE E CA 7207 C C . PHE E 184 ? 0.8024 0.7151 0.8110 -0.0169 0.1040 0.0250 199 PHE E C 7208 O O . PHE E 184 ? 0.8086 0.7003 0.8049 -0.0104 0.0981 0.0287 199 PHE E O 7209 C CB . PHE E 184 ? 0.8005 0.6842 0.8059 -0.0294 0.1047 0.0269 199 PHE E CB 7210 C CG . PHE E 184 ? 0.7867 0.6861 0.8134 -0.0191 0.0955 0.0250 199 PHE E CG 7211 C CD1 . PHE E 184 ? 0.8033 0.7343 0.8489 -0.0225 0.0975 0.0195 199 PHE E CD1 7212 C CD2 . PHE E 184 ? 0.8022 0.6878 0.8293 -0.0066 0.0852 0.0290 199 PHE E CD2 7213 C CE1 . PHE E 184 ? 0.7894 0.7321 0.8525 -0.0121 0.0901 0.0186 199 PHE E CE1 7214 C CE2 . PHE E 184 ? 0.8118 0.7093 0.8566 0.0013 0.0781 0.0268 199 PHE E CE2 7215 C CZ . PHE E 184 ? 0.7698 0.6929 0.8319 -0.0007 0.0809 0.0219 199 PHE E CZ 7216 N N . ALA E 185 ? 0.7240 0.6673 0.7481 -0.0115 0.1066 0.0217 200 ALA E N 7217 C CA . ALA E 185 ? 0.7083 0.6551 0.7338 0.0032 0.1055 0.0216 200 ALA E CA 7218 C C . ALA E 185 ? 0.7133 0.6722 0.7566 0.0130 0.1012 0.0204 200 ALA E C 7219 O O . ALA E 185 ? 0.6924 0.6704 0.7506 0.0085 0.1006 0.0193 200 ALA E O 7220 C CB . ALA E 185 ? 0.7242 0.6934 0.7478 0.0059 0.1164 0.0211 200 ALA E CB 7221 N N . CYS E 186 ? 0.6525 0.5996 0.6919 0.0249 0.0998 0.0201 201 CYS E N 7222 C CA . CYS E 186 ? 0.6301 0.5835 0.6825 0.0353 0.0977 0.0194 201 CYS E CA 7223 C C . CYS E 186 ? 0.6778 0.6637 0.7413 0.0465 0.1076 0.0209 201 CYS E C 7224 O O . CYS E 186 ? 0.6551 0.6564 0.7330 0.0542 0.1064 0.0217 201 CYS E O 7225 C CB . CYS E 186 ? 0.6414 0.5670 0.6809 0.0407 0.0951 0.0175 201 CYS E CB 7226 S SG . CYS E 186 ? 0.6931 0.5959 0.7244 0.0302 0.0814 0.0176 201 CYS E SG 7227 N N . ALA E 187 ? 0.6594 0.6596 0.7164 0.0484 0.1175 0.0224 202 ALA E N 7228 C CA . ALA E 187 ? 0.6597 0.6995 0.7266 0.0614 0.1282 0.0261 202 ALA E CA 7229 C C . ALA E 187 ? 0.7011 0.7856 0.7894 0.0521 0.1253 0.0260 202 ALA E C 7230 O O . ALA E 187 ? 0.6821 0.7957 0.7850 0.0636 0.1265 0.0288 202 ALA E O 7231 C CB . ALA E 187 ? 0.6872 0.7326 0.7414 0.0634 0.1391 0.0277 202 ALA E CB 7232 N N . ASN E 188 ? 0.6689 0.7560 0.7561 0.0302 0.1225 0.0223 203 ASN E N 7233 C CA . ASN E 188 ? 0.6588 0.7832 0.7603 0.0144 0.1218 0.0195 203 ASN E CA 7234 C C . ASN E 188 ? 0.6965 0.8052 0.8055 0.0086 0.1124 0.0167 203 ASN E C 7235 O O . ASN E 188 ? 0.6842 0.8214 0.8037 -0.0047 0.1123 0.0133 203 ASN E O 7236 C CB . ASN E 188 ? 0.6946 0.8210 0.7861 -0.0089 0.1266 0.0156 203 ASN E CB 7237 C CG . ASN E 188 ? 1.0093 1.0808 1.0803 -0.0183 0.1235 0.0147 203 ASN E CG 7238 O OD1 . ASN E 188 ? 0.9338 0.9740 1.0014 -0.0232 0.1167 0.0138 203 ASN E OD1 7239 N ND2 . ASN E 188 ? 0.9156 0.9778 0.9719 -0.0207 0.1294 0.0158 203 ASN E ND2 7240 N N . ALA E 189 ? 0.6506 0.7172 0.7535 0.0176 0.1052 0.0177 204 ALA E N 7241 C CA . ALA E 189 ? 0.6372 0.6878 0.7469 0.0151 0.0965 0.0161 204 ALA E CA 7242 C C . ALA E 189 ? 0.6627 0.7431 0.7899 0.0277 0.0958 0.0174 204 ALA E C 7243 O O . ALA E 189 ? 0.6462 0.7433 0.7843 0.0189 0.0929 0.0148 204 ALA E O 7244 C CB . ALA E 189 ? 0.6535 0.6590 0.7515 0.0205 0.0894 0.0173 204 ALA E CB 7245 N N . PHE E 190 ? 0.6141 0.6983 0.7407 0.0483 0.1001 0.0217 205 PHE E N 7246 C CA . PHE E 190 ? 0.5972 0.7057 0.7364 0.0648 0.1018 0.0252 205 PHE E CA 7247 C C . PHE E 190 ? 0.6751 0.8340 0.8206 0.0781 0.1126 0.0311 205 PHE E C 7248 O O . PHE E 190 ? 0.6692 0.8423 0.8183 0.1003 0.1182 0.0374 205 PHE E O 7249 C CB . PHE E 190 ? 0.6186 0.6875 0.7482 0.0803 0.1017 0.0266 205 PHE E CB 7250 C CG . PHE E 190 ? 0.6249 0.6551 0.7509 0.0703 0.0910 0.0222 205 PHE E CG 7251 C CD1 . PHE E 190 ? 0.6390 0.6723 0.7776 0.0689 0.0840 0.0210 205 PHE E CD1 7252 C CD2 . PHE E 190 ? 0.6581 0.6528 0.7677 0.0637 0.0883 0.0199 205 PHE E CD2 7253 C CE1 . PHE E 190 ? 0.6444 0.6467 0.7804 0.0617 0.0748 0.0181 205 PHE E CE1 7254 C CE2 . PHE E 190 ? 0.6871 0.6554 0.7943 0.0566 0.0784 0.0175 205 PHE E CE2 7255 C CZ . PHE E 190 ? 0.6454 0.6179 0.7663 0.0563 0.0720 0.0169 205 PHE E CZ 7256 N N . ASN E 191 ? 0.6576 0.8451 0.8033 0.0654 0.1166 0.0298 206 ASN E N 7257 C CA . ASN E 191 ? 0.6665 0.9104 0.8190 0.0774 0.1270 0.0360 206 ASN E CA 7258 C C . ASN E 191 ? 0.7077 1.0136 0.8804 0.0811 0.1261 0.0390 206 ASN E C 7259 O O . ASN E 191 ? 0.7112 1.0576 0.8897 0.1057 0.1344 0.0487 206 ASN E O 7260 C CB . ASN E 191 ? 0.6969 0.9583 0.8445 0.0594 0.1314 0.0328 206 ASN E CB 7261 C CG . ASN E 191 ? 0.9978 1.2898 1.1530 0.0285 0.1280 0.0251 206 ASN E CG 7262 O OD1 . ASN E 191 ? 0.9432 1.2168 1.1003 0.0128 0.1205 0.0192 206 ASN E OD1 7263 N ND2 . ASN E 191 ? 0.8797 1.2167 1.0364 0.0177 0.1354 0.0245 206 ASN E ND2 7264 N N . ASN E 192 ? 0.6445 0.9566 0.8257 0.0582 0.1173 0.0315 207 ASN E N 7265 C CA . ASN E 192 ? 0.6260 0.9960 0.8246 0.0566 0.1153 0.0324 207 ASN E CA 7266 C C . ASN E 192 ? 0.6599 0.9959 0.8613 0.0519 0.1059 0.0282 207 ASN E C 7267 O O . ASN E 192 ? 0.6474 1.0110 0.8576 0.0334 0.1018 0.0225 207 ASN E O 7268 C CB . ASN E 192 ? 0.6378 1.0625 0.8422 0.0271 0.1171 0.0255 207 ASN E CB 7269 C CG . ASN E 192 ? 0.9151 1.4032 1.1246 0.0365 0.1265 0.0322 207 ASN E CG 7270 O OD1 . ASN E 192 ? 0.8065 1.3616 1.0299 0.0539 0.1298 0.0407 207 ASN E OD1 7271 N ND2 . ASN E 192 ? 0.8366 1.3075 1.0347 0.0267 0.1316 0.0296 207 ASN E ND2 7272 N N . SER E 193 ? 0.6100 0.8877 0.8026 0.0676 0.1034 0.0305 208 SER E N 7273 C CA . SER E 193 ? 0.5942 0.8378 0.7889 0.0643 0.0948 0.0269 208 SER E CA 7274 C C . SER E 193 ? 0.6243 0.8470 0.8175 0.0915 0.0962 0.0336 208 SER E C 7275 O O . SER E 193 ? 0.6141 0.8110 0.8096 0.0896 0.0895 0.0309 208 SER E O 7276 C CB . SER E 193 ? 0.6522 0.8389 0.8349 0.0467 0.0890 0.0200 208 SER E CB 7277 O OG . SER E 193 ? 0.7883 0.9876 0.9692 0.0204 0.0898 0.0135 208 SER E OG 7278 N N . ILE E 194 ? 0.5737 0.8056 0.7611 0.1166 0.1068 0.0425 209 ILE E N 7279 C CA . ILE E 194 ? 0.5704 0.7767 0.7507 0.1421 0.1125 0.0489 209 ILE E CA 7280 C C . ILE E 194 ? 0.6001 0.8646 0.7936 0.1609 0.1171 0.0583 209 ILE E C 7281 O O . ILE E 194 ? 0.5918 0.9109 0.7910 0.1704 0.1241 0.0653 209 ILE E O 7282 C CB . ILE E 194 ? 0.6308 0.7954 0.7889 0.1589 0.1246 0.0526 209 ILE E CB 7283 C CG1 . ILE E 194 ? 0.6397 0.7551 0.7852 0.1382 0.1183 0.0432 209 ILE E CG1 7284 C CG2 . ILE E 194 ? 0.6467 0.7780 0.7921 0.1825 0.1339 0.0580 209 ILE E CG2 7285 C CD1 . ILE E 194 ? 0.7395 0.8288 0.8642 0.1465 0.1298 0.0448 209 ILE E CD1 7286 N N . ILE E 195 ? 0.5451 0.8030 0.7441 0.1654 0.1126 0.0588 210 ILE E N 7287 C CA . ILE E 195 ? 0.5329 0.8462 0.7438 0.1830 0.1157 0.0681 210 ILE E CA 7288 C C . ILE E 195 ? 0.5929 0.8705 0.7928 0.2094 0.1233 0.0756 210 ILE E C 7289 O O . ILE E 195 ? 0.5836 0.8020 0.7749 0.2012 0.1193 0.0685 210 ILE E O 7290 C CB . ILE E 195 ? 0.5452 0.9022 0.7752 0.1577 0.1032 0.0607 210 ILE E CB 7291 C CG1 . ILE E 195 ? 0.5363 0.8402 0.7654 0.1355 0.0919 0.0490 210 ILE E CG1 7292 C CG2 . ILE E 195 ? 0.5482 0.9584 0.7865 0.1361 0.1017 0.0562 210 ILE E CG2 7293 C CD1 . ILE E 195 ? 0.5522 0.8548 0.7874 0.1430 0.0883 0.0507 210 ILE E CD1 7294 N N . PRO E 196 ? 0.5673 0.8811 0.7660 0.2415 0.1355 0.0905 211 PRO E N 7295 C CA . PRO E 196 ? 0.6308 0.9046 0.8149 0.2663 0.1454 0.0978 211 PRO E CA 7296 C C . PRO E 196 ? 0.9401 1.2356 1.1392 0.2602 0.1349 0.0964 211 PRO E C 7297 O O . PRO E 196 ? 0.4753 0.7373 0.6641 0.2754 0.1408 0.1006 211 PRO E O 7298 C CB . PRO E 196 ? 0.6712 0.9738 0.8444 0.3065 0.1655 0.1165 211 PRO E CB 7299 C CG . PRO E 196 ? 0.6942 1.0798 0.8867 0.3015 0.1613 0.1198 211 PRO E CG 7300 C CD . PRO E 196 ? 0.5973 0.9922 0.8066 0.2576 0.1418 0.1022 211 PRO E CD 7301 N N . GLY F 2 ? 0.1481 0.1703 0.4721 -0.0599 0.0344 -0.0761 3 GLY F N 7302 C CA . GLY F 2 ? 0.1321 0.1394 0.4521 -0.0495 0.0367 -0.0691 3 GLY F CA 7303 C C . GLY F 2 ? 0.1481 0.1620 0.4642 -0.0425 0.0305 -0.0599 3 GLY F C 7304 O O . GLY F 2 ? 0.1450 0.1733 0.4631 -0.0436 0.0257 -0.0563 3 GLY F O 7305 N N . VAL F 3 ? 0.0748 0.0786 0.3848 -0.0353 0.0316 -0.0559 4 VAL F N 7306 C CA . VAL F 3 ? 0.0576 0.0636 0.3542 -0.0220 0.0278 -0.0477 4 VAL F CA 7307 C C . VAL F 3 ? 0.1036 0.1215 0.4017 -0.0324 0.0225 -0.0501 4 VAL F C 7308 O O . VAL F 3 ? 0.1044 0.1221 0.3992 -0.0356 0.0228 -0.0565 4 VAL F O 7309 C CB . VAL F 3 ? 0.0773 0.0716 0.3774 -0.0225 0.0305 -0.0446 4 VAL F CB 7310 C CG1 . VAL F 3 ? 0.0672 0.0632 0.3602 -0.0187 0.0271 -0.0384 4 VAL F CG1 7311 C CG2 . VAL F 3 ? 0.0672 0.0518 0.3737 -0.0182 0.0356 -0.0419 4 VAL F CG2 7312 N N . THR F 4 ? 0.0599 0.0875 0.3559 -0.0304 0.0187 -0.0441 5 THR F N 7313 C CA . THR F 4 ? 0.0579 0.0966 0.3477 -0.0311 0.0150 -0.0443 5 THR F CA 7314 C C . THR F 4 ? 0.1029 0.1352 0.3847 -0.0250 0.0153 -0.0373 5 THR F C 7315 O O . THR F 4 ? 0.0971 0.1213 0.3789 -0.0209 0.0173 -0.0313 5 THR F O 7316 C CB . THR F 4 ? 0.1629 0.2210 0.4563 -0.0339 0.0118 -0.0438 5 THR F CB 7317 O OG1 . THR F 4 ? 0.1416 0.2021 0.4375 -0.0297 0.0123 -0.0353 5 THR F OG1 7318 C CG2 . THR F 4 ? 0.1226 0.1882 0.4231 -0.0423 0.0117 -0.0531 5 THR F CG2 7319 N N . GLN F 5 ? 0.0574 0.0922 0.3321 -0.0249 0.0140 -0.0385 6 GLN F N 7320 C CA . GLN F 5 ? 0.0479 0.0732 0.3101 -0.0187 0.0154 -0.0334 6 GLN F CA 7321 C C . GLN F 5 ? 0.1022 0.1403 0.3628 -0.0201 0.0139 -0.0321 6 GLN F C 7322 O O . GLN F 5 ? 0.0817 0.1283 0.3427 -0.0229 0.0114 -0.0376 6 GLN F O 7323 C CB . GLN F 5 ? 0.0520 0.0695 0.3145 -0.0209 0.0169 -0.0366 6 GLN F CB 7324 C CG . GLN F 5 ? 0.0609 0.0680 0.3266 -0.0191 0.0198 -0.0350 6 GLN F CG 7325 C CD . GLN F 5 ? 0.1828 0.1842 0.4438 -0.0185 0.0214 -0.0372 6 GLN F CD 7326 O OE1 . GLN F 5 ? 0.0996 0.0993 0.3632 -0.0185 0.0229 -0.0411 6 GLN F OE1 7327 N NE2 . GLN F 5 ? 0.0816 0.0807 0.3353 -0.0180 0.0221 -0.0347 6 GLN F NE2 7328 N N . THR F 6 ? 0.0870 0.1231 0.3416 -0.0156 0.0164 -0.0245 7 THR F N 7329 C CA . THR F 6 ? 0.0954 0.1393 0.3436 -0.0129 0.0171 -0.0215 7 THR F CA 7330 C C . THR F 6 ? 0.1582 0.1885 0.3966 -0.0104 0.0221 -0.0172 7 THR F C 7331 O O . THR F 6 ? 0.1661 0.1846 0.4021 -0.0090 0.0255 -0.0131 7 THR F O 7332 C CB . THR F 6 ? 0.1749 0.2339 0.4246 -0.0091 0.0171 -0.0156 7 THR F CB 7333 O OG1 . THR F 6 ? 0.2319 0.2838 0.4812 -0.0056 0.0204 -0.0082 7 THR F OG1 7334 C CG2 . THR F 6 ? 0.1455 0.2221 0.4038 -0.0133 0.0122 -0.0214 7 THR F CG2 7335 N N . PRO F 7 ? 0.1009 0.1327 0.3332 -0.0099 0.0232 -0.0180 8 PRO F N 7336 C CA . PRO F 7 ? 0.0903 0.1350 0.3241 -0.0109 0.0194 -0.0228 8 PRO F CA 7337 C C . PRO F 7 ? 0.1376 0.1786 0.3744 -0.0161 0.0160 -0.0309 8 PRO F C 7338 O O . PRO F 7 ? 0.1097 0.1397 0.3467 -0.0180 0.0172 -0.0319 8 PRO F O 7339 C CB . PRO F 7 ? 0.1140 0.1567 0.3388 -0.0071 0.0239 -0.0186 8 PRO F CB 7340 C CG . PRO F 7 ? 0.1759 0.2002 0.3946 -0.0084 0.0292 -0.0165 8 PRO F CG 7341 C CD . PRO F 7 ? 0.1218 0.1401 0.3444 -0.0089 0.0291 -0.0147 8 PRO F CD 7342 N N . LYS F 8 ? 0.1161 0.1668 0.3546 -0.0178 0.0124 -0.0362 9 LYS F N 7343 C CA . LYS F 8 ? 0.1172 0.1640 0.3566 -0.0215 0.0105 -0.0429 9 LYS F CA 7344 C C . LYS F 8 ? 0.1779 0.2167 0.4106 -0.0211 0.0127 -0.0420 9 LYS F C 7345 O O . LYS F 8 ? 0.1732 0.2053 0.4056 -0.0230 0.0132 -0.0444 9 LYS F O 7346 C CB . LYS F 8 ? 0.1608 0.2194 0.4018 -0.0231 0.0068 -0.0483 9 LYS F CB 7347 C CG . LYS F 8 ? 0.4310 0.4910 0.6783 -0.0275 0.0052 -0.0545 9 LYS F CG 7348 C CD . LYS F 8 ? 0.5925 0.6650 0.8405 -0.0302 0.0021 -0.0607 9 LYS F CD 7349 C CE . LYS F 8 ? 0.7162 0.7835 0.9597 -0.0314 0.0019 -0.0656 9 LYS F CE 7350 N NZ . LYS F 8 ? 0.8329 0.8859 1.0768 -0.0331 0.0050 -0.0681 9 LYS F NZ 7351 N N . HIS F 9 ? 0.1502 0.1913 0.3775 -0.0183 0.0146 -0.0383 10 HIS F N 7352 C CA . HIS F 9 ? 0.1485 0.1836 0.3692 -0.0186 0.0173 -0.0375 10 HIS F CA 7353 C C . HIS F 9 ? 0.2061 0.2352 0.4210 -0.0160 0.0233 -0.0313 10 HIS F C 7354 O O . HIS F 9 ? 0.2072 0.2405 0.4221 -0.0119 0.0249 -0.0267 10 HIS F O 7355 C CB . HIS F 9 ? 0.1560 0.1993 0.3751 -0.0176 0.0148 -0.0402 10 HIS F CB 7356 C CG . HIS F 9 ? 0.1980 0.2443 0.4206 -0.0201 0.0106 -0.0463 10 HIS F CG 7357 N ND1 . HIS F 9 ? 0.2194 0.2607 0.4399 -0.0221 0.0108 -0.0486 10 HIS F ND1 7358 C CD2 . HIS F 9 ? 0.2213 0.2746 0.4484 -0.0210 0.0073 -0.0502 10 HIS F CD2 7359 C CE1 . HIS F 9 ? 0.2120 0.2555 0.4351 -0.0230 0.0084 -0.0531 10 HIS F CE1 7360 N NE2 . HIS F 9 ? 0.2176 0.2674 0.4447 -0.0232 0.0064 -0.0549 10 HIS F NE2 7361 N N . LEU F 10 ? 0.1671 0.1868 0.3763 -0.0186 0.0273 -0.0310 11 LEU F N 7362 C CA . LEU F 10 ? 0.1705 0.1803 0.3723 -0.0175 0.0350 -0.0261 11 LEU F CA 7363 C C . LEU F 10 ? 0.2045 0.2091 0.4005 -0.0215 0.0383 -0.0283 11 LEU F C 7364 O O . LEU F 10 ? 0.1757 0.1791 0.3724 -0.0268 0.0365 -0.0325 11 LEU F O 7365 C CB . LEU F 10 ? 0.1764 0.1764 0.3779 -0.0190 0.0375 -0.0241 11 LEU F CB 7366 C CG . LEU F 10 ? 0.2531 0.2426 0.4476 -0.0157 0.0456 -0.0172 11 LEU F CG 7367 C CD1 . LEU F 10 ? 0.2634 0.2616 0.4579 -0.0079 0.0468 -0.0111 11 LEU F CD1 7368 C CD2 . LEU F 10 ? 0.2806 0.2628 0.4767 -0.0167 0.0459 -0.0160 11 LEU F CD2 7369 N N . ILE F 11 ? 0.1742 0.1779 0.3649 -0.0185 0.0432 -0.0253 12 ILE F N 7370 C CA . ILE F 11 ? 0.1788 0.1778 0.3640 -0.0224 0.0474 -0.0270 12 ILE F CA 7371 C C . ILE F 11 ? 0.2490 0.2336 0.4255 -0.0221 0.0585 -0.0225 12 ILE F C 7372 O O . ILE F 11 ? 0.2616 0.2454 0.4352 -0.0147 0.0634 -0.0165 12 ILE F O 7373 C CB . ILE F 11 ? 0.2150 0.2242 0.4013 -0.0190 0.0445 -0.0278 12 ILE F CB 7374 C CG1 . ILE F 11 ? 0.2118 0.2322 0.4048 -0.0203 0.0349 -0.0328 12 ILE F CG1 7375 C CG2 . ILE F 11 ? 0.2234 0.2266 0.4037 -0.0224 0.0507 -0.0282 12 ILE F CG2 7376 C CD1 . ILE F 11 ? 0.3374 0.3670 0.5363 -0.0160 0.0291 -0.0329 12 ILE F CD1 7377 N N . THR F 12 ? 0.2042 0.1779 0.3759 -0.0298 0.0632 -0.0252 13 THR F N 7378 C CA . THR F 12 ? 0.2198 0.1764 0.3817 -0.0309 0.0753 -0.0218 13 THR F CA 7379 C C . THR F 12 ? 0.2770 0.2254 0.4326 -0.0407 0.0817 -0.0266 13 THR F C 7380 O O . THR F 12 ? 0.2695 0.2278 0.4291 -0.0464 0.0757 -0.0322 13 THR F O 7381 C CB . THR F 12 ? 0.3483 0.2967 0.5091 -0.0305 0.0766 -0.0195 13 THR F CB 7382 O OG1 . THR F 12 ? 0.4019 0.3318 0.5514 -0.0300 0.0898 -0.0150 13 THR F OG1 7383 C CG2 . THR F 12 ? 0.2861 0.2363 0.4507 -0.0385 0.0710 -0.0257 13 THR F CG2 7384 N N . ALA F 13 ? 0.2481 0.1784 0.3931 -0.0425 0.0947 -0.0242 14 ALA F N 7385 C CA . ALA F 13 ? 0.2583 0.1777 0.3955 -0.0529 0.1037 -0.0289 14 ALA F CA 7386 C C . ALA F 13 ? 0.3182 0.2298 0.4517 -0.0629 0.1055 -0.0340 14 ALA F C 7387 O O . ALA F 13 ? 0.3071 0.2144 0.4408 -0.0595 0.1042 -0.0313 14 ALA F O 7388 C CB . ALA F 13 ? 0.2817 0.1835 0.4082 -0.0489 0.1191 -0.0234 14 ALA F CB 7389 N N . THR F 14 ? 0.2907 0.2018 0.4208 -0.0754 0.1086 -0.0415 15 THR F N 7390 C CA . THR F 14 ? 0.2966 0.2017 0.4220 -0.0861 0.1113 -0.0474 15 THR F CA 7391 C C . THR F 14 ? 0.3686 0.2476 0.4815 -0.0858 0.1255 -0.0438 15 THR F C 7392 O O . THR F 14 ? 0.3764 0.2406 0.4816 -0.0822 0.1370 -0.0393 15 THR F O 7393 C CB . THR F 14 ? 0.3951 0.3075 0.5187 -0.1003 0.1129 -0.0564 15 THR F CB 7394 O OG1 . THR F 14 ? 0.4150 0.3197 0.5335 -0.1020 0.1219 -0.0559 15 THR F OG1 7395 C CG2 . THR F 14 ? 0.3478 0.2869 0.4822 -0.1016 0.0990 -0.0603 15 THR F CG2 7396 N N . GLY F 15 ? 0.3325 0.2058 0.4430 -0.0885 0.1252 -0.0452 16 GLY F N 7397 C CA . GLY F 15 ? 0.3539 0.2018 0.4516 -0.0880 0.1382 -0.0415 16 GLY F CA 7398 C C . GLY F 15 ? 0.4187 0.2616 0.5174 -0.0729 0.1379 -0.0305 16 GLY F C 7399 O O . GLY F 15 ? 0.4413 0.2647 0.5300 -0.0704 0.1476 -0.0260 16 GLY F O 7400 N N . GLN F 16 ? 0.3540 0.2150 0.4643 -0.0628 0.1271 -0.0262 17 GLN F N 7401 C CA . GLN F 16 ? 0.3429 0.2048 0.4558 -0.0491 0.1253 -0.0163 17 GLN F CA 7402 C C . GLN F 16 ? 0.3617 0.2297 0.4814 -0.0474 0.1160 -0.0161 17 GLN F C 7403 O O . GLN F 16 ? 0.3453 0.2196 0.4692 -0.0555 0.1097 -0.0235 17 GLN F O 7404 C CB . GLN F 16 ? 0.3511 0.2313 0.4734 -0.0405 0.1177 -0.0130 17 GLN F CB 7405 C CG . GLN F 16 ? 0.6658 0.5394 0.7812 -0.0382 0.1280 -0.0105 17 GLN F CG 7406 C CD . GLN F 16 ? 1.0436 0.9059 1.1504 -0.0261 0.1395 0.0005 17 GLN F CD 7407 O OE1 . GLN F 16 ? 1.0371 0.8768 1.1307 -0.0270 0.1538 0.0038 17 GLN F OE1 7408 N NE2 . GLN F 16 ? 0.9586 0.8371 1.0721 -0.0145 0.1341 0.0067 17 GLN F NE2 7409 N N . ARG F 17 ? 0.3091 0.1763 0.4299 -0.0367 0.1157 -0.0074 18 ARG F N 7410 C CA . ARG F 17 ? 0.2833 0.1558 0.4111 -0.0336 0.1076 -0.0059 18 ARG F CA 7411 C C . ARG F 17 ? 0.2974 0.1898 0.4379 -0.0250 0.0968 -0.0022 18 ARG F C 7412 O O . ARG F 17 ? 0.3020 0.1986 0.4418 -0.0179 0.0992 0.0032 18 ARG F O 7413 C CB . ARG F 17 ? 0.2956 0.1487 0.4125 -0.0292 0.1178 0.0016 18 ARG F CB 7414 N N . VAL F 18 ? 0.2216 0.1267 0.3735 -0.0257 0.0856 -0.0056 19 VAL F N 7415 C CA . VAL F 18 ? 0.1964 0.1195 0.3603 -0.0193 0.0760 -0.0036 19 VAL F CA 7416 C C . VAL F 18 ? 0.2310 0.1570 0.4018 -0.0163 0.0707 -0.0014 19 VAL F C 7417 O O . VAL F 18 ? 0.2306 0.1492 0.4004 -0.0198 0.0710 -0.0037 19 VAL F O 7418 C CB . VAL F 18 ? 0.2277 0.1667 0.4007 -0.0233 0.0667 -0.0111 19 VAL F CB 7419 C CG1 . VAL F 18 ? 0.2283 0.1682 0.3966 -0.0244 0.0704 -0.0122 19 VAL F CG1 7420 C CG2 . VAL F 18 ? 0.2142 0.1552 0.3908 -0.0304 0.0622 -0.0183 19 VAL F CG2 7421 N N . THR F 19 ? 0.1756 0.1138 0.3538 -0.0098 0.0659 0.0028 20 THR F N 7422 C CA . THR F 19 ? 0.1645 0.1073 0.3509 -0.0068 0.0606 0.0049 20 THR F CA 7423 C C . THR F 19 ? 0.2176 0.1784 0.4167 -0.0073 0.0509 0.0003 20 THR F C 7424 O O . THR F 19 ? 0.2150 0.1868 0.4159 -0.0055 0.0490 0.0004 20 THR F O 7425 C CB . THR F 19 ? 0.2377 0.1788 0.4205 0.0015 0.0655 0.0154 20 THR F CB 7426 O OG1 . THR F 19 ? 0.2257 0.1471 0.3952 0.0024 0.0760 0.0201 20 THR F OG1 7427 C CG2 . THR F 19 ? 0.2117 0.1584 0.4037 0.0039 0.0600 0.0172 20 THR F CG2 7428 N N . LEU F 20 ? 0.1771 0.1400 0.3843 -0.0096 0.0456 -0.0038 21 LEU F N 7429 C CA . LEU F 20 ? 0.1683 0.1450 0.3868 -0.0106 0.0379 -0.0087 21 LEU F CA 7430 C C . LEU F 20 ? 0.1974 0.1770 0.4233 -0.0072 0.0359 -0.0051 21 LEU F C 7431 O O . LEU F 20 ? 0.1700 0.1405 0.3949 -0.0057 0.0382 -0.0020 21 LEU F O 7432 C CB . LEU F 20 ? 0.1675 0.1446 0.3890 -0.0155 0.0349 -0.0163 21 LEU F CB 7433 C CG . LEU F 20 ? 0.2319 0.2052 0.4461 -0.0200 0.0372 -0.0203 21 LEU F CG 7434 C CD1 . LEU F 20 ? 0.2209 0.1991 0.4394 -0.0230 0.0339 -0.0263 21 LEU F CD1 7435 C CD2 . LEU F 20 ? 0.2784 0.2552 0.4879 -0.0206 0.0384 -0.0205 21 LEU F CD2 7436 N N . ARG F 21 ? 0.1645 0.1579 0.3978 -0.0063 0.0317 -0.0056 22 ARG F N 7437 C CA . ARG F 21 ? 0.1662 0.1642 0.4071 -0.0039 0.0300 -0.0022 22 ARG F CA 7438 C C . ARG F 21 ? 0.2121 0.2154 0.4637 -0.0076 0.0254 -0.0093 22 ARG F C 7439 O O . ARG F 21 ? 0.2094 0.2177 0.4628 -0.0113 0.0228 -0.0161 22 ARG F O 7440 C CB . ARG F 21 ? 0.1755 0.1869 0.4164 0.0000 0.0303 0.0038 22 ARG F CB 7441 C CG . ARG F 21 ? 0.3279 0.3306 0.5581 0.0061 0.0373 0.0136 22 ARG F CG 7442 C CD . ARG F 21 ? 0.4675 0.4853 0.6954 0.0118 0.0390 0.0207 22 ARG F CD 7443 N NE . ARG F 21 ? 0.5250 0.5317 0.7410 0.0189 0.0478 0.0313 22 ARG F NE 7444 C CZ . ARG F 21 ? 0.6925 0.6894 0.8967 0.0211 0.0550 0.0338 22 ARG F CZ 7445 N NH1 . ARG F 21 ? 0.4830 0.4817 0.6866 0.0169 0.0533 0.0267 22 ARG F NH1 7446 N NH2 . ARG F 21 ? 0.5837 0.5679 0.7761 0.0276 0.0646 0.0436 22 ARG F NH2 7447 N N . CYS F 22 ? 0.1638 0.1645 0.4219 -0.0062 0.0253 -0.0074 23 CYS F N 7448 C CA . CYS F 22 ? 0.1582 0.1614 0.4262 -0.0091 0.0230 -0.0134 23 CYS F CA 7449 C C . CYS F 22 ? 0.1768 0.1859 0.4531 -0.0080 0.0224 -0.0101 23 CYS F C 7450 O O . CYS F 22 ? 0.1912 0.1940 0.4669 -0.0037 0.0246 -0.0033 23 CYS F O 7451 C CB . CYS F 22 ? 0.1728 0.1642 0.4405 -0.0084 0.0250 -0.0157 23 CYS F CB 7452 S SG . CYS F 22 ? 0.2249 0.2149 0.5042 -0.0088 0.0255 -0.0198 23 CYS F SG 7453 N N . SER F 23 ? 0.1009 0.1214 0.3848 -0.0125 0.0199 -0.0155 24 SER F N 7454 C CA . SER F 23 ? 0.0897 0.1166 0.3830 -0.0133 0.0196 -0.0140 24 SER F CA 7455 C C . SER F 23 ? 0.1164 0.1355 0.4174 -0.0163 0.0213 -0.0207 24 SER F C 7456 O O . SER F 23 ? 0.1206 0.1423 0.4234 -0.0216 0.0209 -0.0290 24 SER F O 7457 C CB . SER F 23 ? 0.1408 0.1886 0.4372 -0.0168 0.0166 -0.0150 24 SER F CB 7458 O OG . SER F 23 ? 0.3162 0.3714 0.6053 -0.0115 0.0167 -0.0067 24 SER F OG 7459 N N . PRO F 24 ? 0.0500 0.0579 0.3545 -0.0121 0.0243 -0.0169 25 PRO F N 7460 C CA . PRO F 24 ? 0.0492 0.0487 0.3584 -0.0109 0.0277 -0.0222 25 PRO F CA 7461 C C . PRO F 24 ? 0.0955 0.1028 0.4165 -0.0199 0.0283 -0.0279 25 PRO F C 7462 O O . PRO F 24 ? 0.0897 0.1120 0.4128 -0.0240 0.0250 -0.0277 25 PRO F O 7463 C CB . PRO F 24 ? 0.0640 0.0534 0.3777 -0.0061 0.0305 -0.0149 25 PRO F CB 7464 C CG . PRO F 24 ? 0.1143 0.1089 0.4248 -0.0033 0.0283 -0.0066 25 PRO F CG 7465 C CD . PRO F 24 ? 0.0592 0.0611 0.3609 -0.0054 0.0255 -0.0073 25 PRO F CD 7466 N N . ARG F 25 ? 0.0544 0.0527 0.3755 -0.0156 0.0335 -0.0331 26 ARG F N 7467 C CA . ARG F 25 ? 0.0594 0.0604 0.3879 -0.0219 0.0362 -0.0394 26 ARG F CA 7468 C C . ARG F 25 ? 0.1231 0.1313 0.4661 -0.0280 0.0352 -0.0336 26 ARG F C 7469 O O . ARG F 25 ? 0.1222 0.1238 0.4650 -0.0200 0.0357 -0.0251 26 ARG F O 7470 C CB . ARG F 25 ? 0.0473 0.0452 0.3717 -0.0081 0.0451 -0.0431 26 ARG F CB 7471 C CG . ARG F 25 ? 0.0918 0.0694 0.4225 -0.0269 0.0472 -0.0493 26 ARG F CG 7472 C CD . ARG F 25 ? 0.2240 0.1874 0.5578 -0.0267 0.0573 -0.0542 26 ARG F CD 7473 N NE . ARG F 25 ? 0.2588 0.2125 0.5984 -0.0185 0.0628 -0.0481 26 ARG F NE 7474 C CZ . ARG F 25 ? 0.3546 0.2963 0.6997 -0.0175 0.0728 -0.0504 26 ARG F CZ 7475 N NH1 . ARG F 25 ? 0.0970 0.0484 0.4409 -0.0211 0.0796 -0.0575 26 ARG F NH1 7476 N NH2 . ARG F 25 ? 0.1711 0.1053 0.5214 -0.0087 0.0773 -0.0440 26 ARG F NH2 7477 N N . SER F 26 ? 0.1010 0.1235 0.4506 -0.0367 0.0340 -0.0380 27 SER F N 7478 C CA . SER F 26 ? 0.1042 0.1355 0.4621 -0.0365 0.0335 -0.0322 27 SER F CA 7479 C C . SER F 26 ? 0.1455 0.1591 0.5100 -0.0317 0.0403 -0.0299 27 SER F C 7480 O O . SER F 26 ? 0.1362 0.1376 0.5033 -0.0345 0.0467 -0.0372 27 SER F O 7481 C CB . SER F 26 ? 0.1707 0.2216 0.5354 -0.0484 0.0321 -0.0394 27 SER F CB 7482 O OG . SER F 26 ? 0.3575 0.4245 0.7160 -0.0529 0.0268 -0.0434 27 SER F OG 7483 N N . GLY F 27 ? 0.1008 0.1121 0.4668 -0.0233 0.0397 -0.0193 28 GLY F N 7484 C CA . GLY F 27 ? 0.0987 0.0944 0.4709 -0.0167 0.0457 -0.0155 28 GLY F CA 7485 C C . GLY F 27 ? 0.1396 0.1185 0.5051 -0.0063 0.0480 -0.0116 28 GLY F C 7486 O O . GLY F 27 ? 0.1378 0.1057 0.5074 0.0014 0.0524 -0.0066 28 GLY F O 7487 N N . ASP F 28 ? 0.0793 0.0575 0.4346 -0.0059 0.0453 -0.0141 29 ASP F N 7488 C CA . ASP F 28 ? 0.0607 0.0386 0.4086 0.0009 0.0468 -0.0108 29 ASP F CA 7489 C C . ASP F 28 ? 0.1022 0.0695 0.4439 0.0087 0.0428 -0.0019 29 ASP F C 7490 O O . ASP F 28 ? 0.0993 0.0761 0.4359 0.0058 0.0380 0.0002 29 ASP F O 7491 C CB . ASP F 28 ? 0.0726 0.0390 0.4128 -0.0006 0.0464 -0.0183 29 ASP F CB 7492 C CG . ASP F 28 ? 0.1550 0.1144 0.4984 -0.0032 0.0531 -0.0263 29 ASP F CG 7493 O OD1 . ASP F 28 ? 0.1594 0.1144 0.5117 -0.0047 0.0586 -0.0279 29 ASP F OD1 7494 O OD2 . ASP F 28 ? 0.2533 0.2112 0.5899 -0.0038 0.0537 -0.0306 29 ASP F OD2 7495 N N . LEU F 29 ? 0.0541 0.0396 0.3904 0.0046 0.0452 0.0050 37 LEU F N 7496 C CA . LEU F 29 ? 0.0460 0.0390 0.3715 0.0028 0.0432 0.0136 37 LEU F CA 7497 C C . LEU F 29 ? 0.0850 0.0464 0.4055 0.0198 0.0433 0.0126 37 LEU F C 7498 O O . LEU F 29 ? 0.0916 0.0481 0.4037 0.0233 0.0416 0.0174 37 LEU F O 7499 C CB . LEU F 29 ? 0.0454 0.0394 0.3743 0.0032 0.0468 0.0200 37 LEU F CB 7500 C CG . LEU F 29 ? 0.0781 0.0480 0.4226 0.0200 0.0460 0.0254 37 LEU F CG 7501 C CD1 . LEU F 29 ? 0.0720 0.0454 0.4270 0.0158 0.0449 0.0188 37 LEU F CD1 7502 C CD2 . LEU F 29 ? 0.0782 0.0490 0.4274 0.0209 0.0505 0.0306 37 LEU F CD2 7503 N N . SER F 30 ? 0.0441 0.0382 0.3430 0.0011 0.0432 0.0079 38 SER F N 7504 C CA . SER F 30 ? 0.0440 0.0382 0.3219 0.0010 0.0414 0.0066 38 SER F CA 7505 C C . SER F 30 ? 0.0695 0.0424 0.3730 0.0107 0.0427 -0.0003 38 SER F C 7506 O O . SER F 30 ? 0.0547 0.0397 0.3620 0.0036 0.0429 -0.0049 38 SER F O 7507 C CB . SER F 30 ? 0.0552 0.0405 0.3577 0.0058 0.0497 0.0068 38 SER F CB 7508 O OG . SER F 30 ? 0.1577 0.0977 0.4666 0.0395 0.0513 0.0031 38 SER F OG 7509 N N . VAL F 31 ? 0.0558 0.0399 0.3474 0.0050 0.0403 0.0008 39 VAL F N 7510 C CA . VAL F 31 ? 0.0589 0.0399 0.3468 0.0049 0.0380 -0.0045 39 VAL F CA 7511 C C . VAL F 31 ? 0.1092 0.0642 0.3922 0.0156 0.0395 -0.0085 39 VAL F C 7512 O O . VAL F 31 ? 0.1068 0.0573 0.3860 0.0194 0.0410 -0.0053 39 VAL F O 7513 C CB . VAL F 31 ? 0.1161 0.0742 0.4026 0.0112 0.0355 -0.0029 39 VAL F CB 7514 C CG1 . VAL F 31 ? 0.1215 0.0722 0.3986 0.0141 0.0366 0.0032 39 VAL F CG1 7515 C CG2 . VAL F 31 ? 0.1182 0.0836 0.4006 0.0051 0.0330 -0.0082 39 VAL F CG2 7516 N N . TYR F 32 ? 0.0542 0.0398 0.3319 0.0024 0.0382 -0.0119 40 TYR F N 7517 C CA . TYR F 32 ? 0.0433 0.0386 0.3095 -0.0019 0.0380 -0.0133 40 TYR F CA 7518 C C . TYR F 32 ? 0.0745 0.0440 0.3417 0.0055 0.0372 -0.0209 40 TYR F C 7519 O O . TYR F 32 ? 0.0831 0.0552 0.3527 0.0023 0.0354 -0.0232 40 TYR F O 7520 C CB . TYR F 32 ? 0.0510 0.0408 0.3219 0.0014 0.0416 -0.0155 40 TYR F CB 7521 C CG . TYR F 32 ? 0.0639 0.0450 0.3421 0.0092 0.0457 -0.0126 40 TYR F CG 7522 C CD1 . TYR F 32 ? 0.0838 0.0500 0.3764 0.0191 0.0485 -0.0142 40 TYR F CD1 7523 C CD2 . TYR F 32 ? 0.0711 0.0498 0.3466 0.0155 0.0484 -0.0103 40 TYR F CD2 7524 C CE1 . TYR F 32 ? 0.0928 0.0537 0.3925 0.0253 0.0529 -0.0106 40 TYR F CE1 7525 C CE2 . TYR F 32 ? 0.0811 0.0547 0.3633 0.0229 0.0527 -0.0066 40 TYR F CE2 7526 C CZ . TYR F 32 ? 0.1593 0.1131 0.4616 0.0400 0.0567 -0.0088 40 TYR F CZ 7527 O OH . TYR F 32 ? 0.1832 0.1317 0.4935 0.0480 0.0618 -0.0051 40 TYR F OH 7528 N N . TRP F 33 ? 0.0423 0.0392 0.2618 -0.0023 0.0312 -0.0164 41 TRP F N 7529 C CA . TRP F 33 ? 0.0418 0.0396 0.2373 -0.0025 0.0275 -0.0182 41 TRP F CA 7530 C C . TRP F 33 ? 0.0681 0.0535 0.3173 -0.0028 0.0365 -0.0291 41 TRP F C 7531 O O . TRP F 33 ? 0.0554 0.0436 0.3031 -0.0001 0.0386 -0.0287 41 TRP F O 7532 C CB . TRP F 33 ? 0.0413 0.0392 0.1968 -0.0020 0.0230 -0.0138 41 TRP F CB 7533 C CG . TRP F 33 ? 0.0411 0.0388 0.1966 -0.0016 0.0223 -0.0112 41 TRP F CG 7534 C CD1 . TRP F 33 ? 0.0420 0.0384 0.2328 -0.0013 0.0280 -0.0093 41 TRP F CD1 7535 C CD2 . TRP F 33 ? 0.0407 0.0389 0.1910 -0.0016 0.0204 -0.0116 41 TRP F CD2 7536 N NE1 . TRP F 33 ? 0.0417 0.0383 0.2264 -0.0010 0.0263 -0.0070 41 TRP F NE1 7537 C CE2 . TRP F 33 ? 0.0416 0.0386 0.2412 -0.0015 0.0269 -0.0111 41 TRP F CE2 7538 C CE3 . TRP F 33 ? 0.0407 0.0395 0.1999 -0.0020 0.0208 -0.0156 41 TRP F CE3 7539 C CZ2 . TRP F 33 ? 0.0410 0.0385 0.2287 -0.0013 0.0241 -0.0101 41 TRP F CZ2 7540 C CZ3 . TRP F 33 ? 0.0406 0.0396 0.2163 -0.0021 0.0217 -0.0171 41 TRP F CZ3 7541 C CH2 . TRP F 33 ? 0.0407 0.0391 0.2266 -0.0017 0.0227 -0.0141 41 TRP F CH2 7542 N N . TYR F 34 ? 0.0547 0.0465 0.3032 -0.0051 0.0353 -0.0323 42 TYR F N 7543 C CA . TYR F 34 ? 0.0578 0.0607 0.3033 -0.0048 0.0364 -0.0351 42 TYR F CA 7544 C C . TYR F 34 ? 0.1184 0.1257 0.3577 -0.0111 0.0341 -0.0379 42 TYR F C 7545 O O . TYR F 34 ? 0.1340 0.1368 0.3736 -0.0137 0.0320 -0.0381 42 TYR F O 7546 C CB . TYR F 34 ? 0.0715 0.0772 0.3226 0.0012 0.0389 -0.0353 42 TYR F CB 7547 C CG . TYR F 34 ? 0.0873 0.0905 0.3443 0.0088 0.0428 -0.0325 42 TYR F CG 7548 C CD1 . TYR F 34 ? 0.1016 0.0944 0.3657 0.0108 0.0436 -0.0306 42 TYR F CD1 7549 C CD2 . TYR F 34 ? 0.0979 0.1110 0.3536 0.0146 0.0463 -0.0315 42 TYR F CD2 7550 C CE1 . TYR F 34 ? 0.0860 0.0757 0.3560 0.0184 0.0479 -0.0278 42 TYR F CE1 7551 C CE2 . TYR F 34 ? 0.1103 0.1215 0.3715 0.0231 0.0507 -0.0284 42 TYR F CE2 7552 C CZ . TYR F 34 ? 0.1612 0.1595 0.4296 0.0251 0.0517 -0.0265 42 TYR F CZ 7553 O OH . TYR F 34 ? 0.1015 0.0971 0.3756 0.0339 0.0568 -0.0231 42 TYR F OH 7554 N N . GLN F 35 ? 0.0570 0.0745 0.2908 -0.0135 0.0348 -0.0399 43 GLN F N 7555 C CA . GLN F 35 ? 0.0478 0.0661 0.2695 -0.0163 0.0330 -0.0426 43 GLN F CA 7556 C C . GLN F 35 ? 0.0901 0.1263 0.3179 -0.0166 0.0338 -0.0435 43 GLN F C 7557 O O . GLN F 35 ? 0.0609 0.1083 0.2884 -0.0132 0.0360 -0.0432 43 GLN F O 7558 C CB . GLN F 35 ? 0.0547 0.0787 0.2746 -0.0259 0.0344 -0.0443 43 GLN F CB 7559 C CG . GLN F 35 ? 0.1594 0.1871 0.3743 -0.0332 0.0338 -0.0468 43 GLN F CG 7560 C CD . GLN F 35 ? 0.3573 0.3919 0.5652 -0.0406 0.0360 -0.0502 43 GLN F CD 7561 O OE1 . GLN F 35 ? 0.3098 0.3597 0.5174 -0.0403 0.0364 -0.0519 43 GLN F OE1 7562 N NE2 . GLN F 35 ? 0.2029 0.2274 0.4046 -0.0476 0.0381 -0.0514 43 GLN F NE2 7563 N N . GLN F 36 ? 0.0744 0.1101 0.3018 -0.0174 0.0322 -0.0443 44 GLN F N 7564 C CA . GLN F 36 ? 0.0827 0.1292 0.3082 -0.0146 0.0331 -0.0445 44 GLN F CA 7565 C C . GLN F 36 ? 0.1840 0.2378 0.4035 -0.0208 0.0311 -0.0463 44 GLN F C 7566 O O . GLN F 36 ? 0.1924 0.2396 0.4109 -0.0239 0.0288 -0.0471 44 GLN F O 7567 C CB . GLN F 36 ? 0.0978 0.1377 0.3265 -0.0101 0.0338 -0.0442 44 GLN F CB 7568 C CG . GLN F 36 ? 0.1369 0.1865 0.3622 -0.0053 0.0366 -0.0434 44 GLN F CG 7569 C CD . GLN F 36 ? 0.2931 0.3338 0.5205 -0.0006 0.0397 -0.0434 44 GLN F CD 7570 O OE1 . GLN F 36 ? 0.2264 0.2578 0.4553 -0.0040 0.0372 -0.0457 44 GLN F OE1 7571 N NE2 . GLN F 36 ? 0.2031 0.2469 0.4298 0.0072 0.0459 -0.0409 44 GLN F NE2 7572 N N . SER F 37 ? 0.1745 0.2431 0.3903 -0.0220 0.0323 -0.0468 45 SER F N 7573 C CA . SER F 37 ? 0.1909 0.2692 0.4013 -0.0282 0.0312 -0.0485 45 SER F CA 7574 C C . SER F 37 ? 0.2712 0.3661 0.4796 -0.0236 0.0323 -0.0468 45 SER F C 7575 O O . SER F 37 ? 0.2494 0.3489 0.4595 -0.0154 0.0349 -0.0442 45 SER F O 7576 C CB . SER F 37 ? 0.2324 0.3165 0.4395 -0.0357 0.0323 -0.0512 45 SER F CB 7577 O OG . SER F 37 ? 0.3160 0.4161 0.5233 -0.0325 0.0341 -0.0509 45 SER F OG 7578 N N . LEU F 38 ? 0.2715 0.3738 0.4757 -0.0281 0.0309 -0.0477 46 LEU F N 7579 C CA . LEU F 38 ? 0.2817 0.4034 0.4825 -0.0248 0.0321 -0.0456 46 LEU F CA 7580 C C . LEU F 38 ? 0.3355 0.4788 0.5348 -0.0255 0.0341 -0.0458 46 LEU F C 7581 O O . LEU F 38 ? 0.3289 0.4877 0.5273 -0.0177 0.0367 -0.0422 46 LEU F O 7582 C CB . LEU F 38 ? 0.2879 0.4135 0.4848 -0.0302 0.0300 -0.0463 46 LEU F CB 7583 C CG . LEU F 38 ? 0.3643 0.4728 0.5616 -0.0322 0.0276 -0.0472 46 LEU F CG 7584 C CD1 . LEU F 38 ? 0.3705 0.4793 0.5648 -0.0418 0.0271 -0.0499 46 LEU F CD1 7585 C CD2 . LEU F 38 ? 0.4200 0.5286 0.6155 -0.0256 0.0272 -0.0444 46 LEU F CD2 7586 N N . ASP F 39 ? 0.2925 0.4373 0.4910 -0.0348 0.0335 -0.0499 47 ASP F N 7587 C CA . ASP F 39 ? 0.2912 0.4581 0.4880 -0.0371 0.0351 -0.0515 47 ASP F CA 7588 C C . ASP F 39 ? 0.3101 0.4817 0.5100 -0.0283 0.0375 -0.0491 47 ASP F C 7589 O O . ASP F 39 ? 0.3048 0.5004 0.5034 -0.0254 0.0394 -0.0481 47 ASP F O 7590 C CB . ASP F 39 ? 0.3306 0.5013 0.5238 -0.0513 0.0350 -0.0577 47 ASP F CB 7591 C CG . ASP F 39 ? 0.5446 0.6910 0.7380 -0.0569 0.0354 -0.0607 47 ASP F CG 7592 O OD1 . ASP F 39 ? 0.5691 0.6938 0.7641 -0.0552 0.0345 -0.0592 47 ASP F OD1 7593 O OD2 . ASP F 39 ? 0.6234 0.7733 0.8144 -0.0639 0.0371 -0.0649 47 ASP F OD2 7594 N N . GLN F 40 ? 0.2483 0.3985 0.4524 -0.0245 0.0376 -0.0483 48 GLN F N 7595 C CA . GLN F 40 ? 0.2332 0.3854 0.4408 -0.0163 0.0403 -0.0462 48 GLN F CA 7596 C C . GLN F 40 ? 0.2505 0.3883 0.4628 -0.0050 0.0427 -0.0417 48 GLN F C 7597 O O . GLN F 40 ? 0.2460 0.3864 0.4613 0.0029 0.0460 -0.0393 48 GLN F O 7598 C CB . GLN F 40 ? 0.2529 0.3947 0.4610 -0.0229 0.0395 -0.0498 48 GLN F CB 7599 C CG . GLN F 40 ? 0.4266 0.5764 0.6292 -0.0361 0.0385 -0.0554 48 GLN F CG 7600 C CD . GLN F 40 ? 0.6250 0.7792 0.8264 -0.0393 0.0399 -0.0585 48 GLN F CD 7601 O OE1 . GLN F 40 ? 0.5918 0.7259 0.7929 -0.0428 0.0401 -0.0599 48 GLN F OE1 7602 N NE2 . GLN F 40 ? 0.4833 0.6650 0.6836 -0.0372 0.0412 -0.0590 48 GLN F NE2 7603 N N . GLY F 41 ? 0.1754 0.2976 0.3884 -0.0048 0.0415 -0.0412 49 GLY F N 7604 C CA . GLY F 41 ? 0.1633 0.2693 0.3807 0.0032 0.0441 -0.0386 49 GLY F CA 7605 C C . GLY F 41 ? 0.1983 0.2871 0.4210 0.0014 0.0429 -0.0398 49 GLY F C 7606 O O . GLY F 41 ? 0.1973 0.2812 0.4190 -0.0068 0.0396 -0.0425 49 GLY F O 7607 N N . LEU F 42 ? 0.1384 0.2174 0.3661 0.0094 0.0466 -0.0373 50 LEU F N 7608 C CA . LEU F 42 ? 0.1308 0.1941 0.3641 0.0087 0.0458 -0.0375 50 LEU F CA 7609 C C . LEU F 42 ? 0.1518 0.2216 0.3857 0.0096 0.0464 -0.0370 50 LEU F C 7610 O O . LEU F 42 ? 0.1393 0.2214 0.3738 0.0176 0.0506 -0.0346 50 LEU F O 7611 C CB . LEU F 42 ? 0.1330 0.1838 0.3718 0.0159 0.0501 -0.0356 50 LEU F CB 7612 C CG . LEU F 42 ? 0.1902 0.2283 0.4299 0.0120 0.0482 -0.0377 50 LEU F CG 7613 C CD1 . LEU F 42 ? 0.2026 0.2328 0.4450 0.0191 0.0549 -0.0365 50 LEU F CD1 7614 C CD2 . LEU F 42 ? 0.1956 0.2220 0.4388 0.0052 0.0432 -0.0394 50 LEU F CD2 7615 N N . GLN F 43 ? 0.0916 0.1529 0.3247 0.0020 0.0428 -0.0391 51 GLN F N 7616 C CA . GLN F 43 ? 0.0784 0.1424 0.3105 0.0009 0.0431 -0.0394 51 GLN F CA 7617 C C . GLN F 43 ? 0.1108 0.1557 0.3463 0.0003 0.0422 -0.0380 51 GLN F C 7618 O O . GLN F 43 ? 0.1166 0.1491 0.3516 -0.0050 0.0397 -0.0385 51 GLN F O 7619 C CB . GLN F 43 ? 0.0980 0.1719 0.3226 -0.0092 0.0413 -0.0436 51 GLN F CB 7620 C CG . GLN F 43 ? 0.2256 0.3237 0.4464 -0.0092 0.0421 -0.0448 51 GLN F CG 7621 C CD . GLN F 43 ? 0.3652 0.4816 0.5876 -0.0003 0.0456 -0.0427 51 GLN F CD 7622 O OE1 . GLN F 43 ? 0.2747 0.3906 0.4981 0.0013 0.0465 -0.0428 51 GLN F OE1 7623 N NE2 . GLN F 43 ? 0.3033 0.4368 0.5253 0.0065 0.0480 -0.0402 51 GLN F NE2 7624 N N . PHE F 44 ? 0.0508 0.0946 0.2896 0.0064 0.0445 -0.0357 52 PHE F N 7625 C CA . PHE F 44 ? 0.0490 0.0697 0.2839 0.0045 0.0424 -0.0326 52 PHE F CA 7626 C C . PHE F 44 ? 0.0774 0.0975 0.3124 -0.0014 0.0425 -0.0350 52 PHE F C 7627 O O . PHE F 44 ? 0.0631 0.0929 0.2917 -0.0060 0.0430 -0.0382 52 PHE F O 7628 C CB . PHE F 44 ? 0.0598 0.0890 0.3071 0.0173 0.0476 -0.0299 52 PHE F CB 7629 C CG . PHE F 44 ? 0.0740 0.0870 0.3245 0.0187 0.0473 -0.0267 52 PHE F CG 7630 C CD1 . PHE F 44 ? 0.1112 0.1105 0.3674 0.0191 0.0465 -0.0244 52 PHE F CD1 7631 C CD2 . PHE F 44 ? 0.0918 0.1043 0.3388 0.0193 0.0480 -0.0260 52 PHE F CD2 7632 C CE1 . PHE F 44 ? 0.1201 0.1066 0.3791 0.0208 0.0462 -0.0205 52 PHE F CE1 7633 C CE2 . PHE F 44 ? 0.1317 0.1288 0.3809 0.0215 0.0481 -0.0220 52 PHE F CE2 7634 C CZ . PHE F 44 ? 0.1116 0.0963 0.3669 0.0226 0.0472 -0.0189 52 PHE F CZ 7635 N N . LEU F 45 ? 0.0443 0.0422 0.2598 -0.0052 0.0375 -0.0304 53 LEU F N 7636 C CA . LEU F 45 ? 0.0444 0.0420 0.2354 -0.0050 0.0356 -0.0280 53 LEU F CA 7637 C C . LEU F 45 ? 0.0457 0.0410 0.2673 -0.0048 0.0421 -0.0264 53 LEU F C 7638 O O . LEU F 45 ? 0.0460 0.0411 0.2442 -0.0050 0.0405 -0.0253 53 LEU F O 7639 C CB . LEU F 45 ? 0.0441 0.0417 0.2258 -0.0048 0.0339 -0.0264 53 LEU F CB 7640 C CG . LEU F 45 ? 0.0554 0.0512 0.2742 -0.0151 0.0390 -0.0365 53 LEU F CG 7641 C CD1 . LEU F 45 ? 0.0540 0.0477 0.2682 -0.0123 0.0383 -0.0346 53 LEU F CD1 7642 C CD2 . LEU F 45 ? 0.0973 0.1005 0.3121 -0.0273 0.0404 -0.0414 53 LEU F CD2 7643 N N . ILE F 46 ? 0.0442 0.0396 0.2421 -0.0032 0.0356 -0.0181 54 ILE F N 7644 C CA . ILE F 46 ? 0.0445 0.0388 0.2432 -0.0023 0.0366 -0.0130 54 ILE F CA 7645 C C . ILE F 46 ? 0.0574 0.0398 0.3029 0.0021 0.0422 -0.0120 54 ILE F C 7646 O O . ILE F 46 ? 0.0638 0.0404 0.3144 0.0037 0.0407 -0.0139 54 ILE F O 7647 C CB . ILE F 46 ? 0.0504 0.0388 0.2775 -0.0025 0.0456 -0.0139 54 ILE F CB 7648 C CG1 . ILE F 46 ? 0.0509 0.0383 0.2746 -0.0015 0.0481 -0.0088 54 ILE F CG1 7649 C CG2 . ILE F 46 ? 0.0670 0.0386 0.2962 -0.0021 0.0441 -0.0126 54 ILE F CG2 7650 C CD1 . ILE F 46 ? 0.0838 0.0383 0.2946 -0.0019 0.0525 -0.0093 54 ILE F CD1 7651 N N . GLN F 47 ? 0.0441 0.0381 0.2493 -0.0009 0.0359 -0.0051 55 GLN F N 7652 C CA . GLN F 47 ? 0.0437 0.0380 0.2479 -0.0002 0.0345 -0.0013 55 GLN F CA 7653 C C . GLN F 47 ? 0.0499 0.0387 0.3024 0.0024 0.0439 0.0038 55 GLN F C 7654 O O . GLN F 47 ? 0.0574 0.0396 0.3041 0.0051 0.0458 0.0055 55 GLN F O 7655 C CB . GLN F 47 ? 0.0444 0.0380 0.2612 0.0000 0.0378 0.0000 55 GLN F CB 7656 C CG . GLN F 47 ? 0.0422 0.0380 0.1841 0.0004 0.0248 0.0024 55 GLN F CG 7657 C CD . GLN F 47 ? 0.0811 0.0520 0.3542 0.0228 0.0506 0.0047 55 GLN F CD 7658 O OE1 . GLN F 47 ? 0.0440 0.0382 0.2060 0.0010 0.0319 0.0053 55 GLN F OE1 7659 N NE2 . GLN F 47 ? 0.0717 0.0481 0.3489 0.0170 0.0523 0.0079 55 GLN F NE2 7660 N N . TYR F 48 ? 0.0439 0.0381 0.2643 0.0009 0.0366 0.0055 56 TYR F N 7661 C CA . TYR F 48 ? 0.0442 0.0385 0.2631 0.0018 0.0373 0.0109 56 TYR F CA 7662 C C . TYR F 48 ? 0.0483 0.0394 0.3168 0.0038 0.0439 0.0157 56 TYR F C 7663 O O . TYR F 48 ? 0.0442 0.0385 0.3113 0.0018 0.0412 0.0122 56 TYR F O 7664 C CB . TYR F 48 ? 0.0450 0.0388 0.2863 0.0024 0.0417 0.0140 56 TYR F CB 7665 C CG . TYR F 48 ? 0.0576 0.0395 0.2985 0.0055 0.0469 0.0153 56 TYR F CG 7666 C CD1 . TYR F 48 ? 0.0793 0.0396 0.3157 0.0080 0.0470 0.0094 56 TYR F CD1 7667 C CD2 . TYR F 48 ? 0.0730 0.0412 0.3069 0.0101 0.0506 0.0218 56 TYR F CD2 7668 C CE1 . TYR F 48 ? 0.1026 0.0393 0.3268 0.0092 0.0508 0.0091 56 TYR F CE1 7669 C CE2 . TYR F 48 ? 0.0919 0.0413 0.3128 0.0125 0.0549 0.0220 56 TYR F CE2 7670 C CZ . TYR F 48 ? 0.2283 0.1239 0.4452 0.0164 0.0549 0.0164 56 TYR F CZ 7671 O OH . TYR F 48 ? 0.3142 0.1991 0.5167 0.0119 0.0600 0.0149 56 TYR F OH 7672 N N . TYR F 49 ? 0.0448 0.0394 0.2781 0.0031 0.0403 0.0187 57 TYR F N 7673 C CA . TYR F 49 ? 0.0445 0.0399 0.2755 0.0035 0.0393 0.0211 57 TYR F CA 7674 C C . TYR F 49 ? 0.0698 0.0462 0.3477 0.0157 0.0478 0.0331 57 TYR F C 7675 O O . TYR F 49 ? 0.0593 0.0448 0.3264 0.0116 0.0505 0.0360 57 TYR F O 7676 C CB . TYR F 49 ? 0.0452 0.0399 0.2771 0.0037 0.0415 0.0215 57 TYR F CB 7677 C CG . TYR F 49 ? 0.0453 0.0404 0.2748 0.0042 0.0416 0.0238 57 TYR F CG 7678 C CD1 . TYR F 49 ? 0.0454 0.0400 0.2983 0.0039 0.0438 0.0231 57 TYR F CD1 7679 C CD2 . TYR F 49 ? 0.0463 0.0415 0.2776 0.0054 0.0446 0.0288 57 TYR F CD2 7680 C CE1 . TYR F 49 ? 0.0458 0.0404 0.3042 0.0044 0.0457 0.0255 57 TYR F CE1 7681 C CE2 . TYR F 49 ? 0.0470 0.0421 0.2898 0.0061 0.0476 0.0323 57 TYR F CE2 7682 C CZ . TYR F 49 ? 0.0617 0.0460 0.3718 0.0137 0.0574 0.0368 57 TYR F CZ 7683 O OH . TYR F 49 ? 0.0490 0.0427 0.3575 0.0072 0.0592 0.0387 57 TYR F OH 7684 N N . ASN F 50 ? 0.0488 0.0427 0.3301 0.0070 0.0467 0.0344 58 ASN F N 7685 C CA . ASN F 50 ? 0.0501 0.0449 0.3296 0.0088 0.0479 0.0421 58 ASN F CA 7686 C C . ASN F 50 ? 0.0904 0.0533 0.3613 0.0262 0.0489 0.0492 58 ASN F C 7687 O O . ASN F 50 ? 0.0926 0.0558 0.3573 0.0283 0.0522 0.0560 58 ASN F O 7688 C CB . ASN F 50 ? 0.0463 0.0451 0.3129 0.0077 0.0478 0.0440 58 ASN F CB 7689 C CG . ASN F 50 ? 0.1048 0.0592 0.4170 0.0363 0.0481 0.0492 58 ASN F CG 7690 O OD1 . ASN F 50 ? 0.0449 0.0435 0.3413 0.0062 0.0458 0.0410 58 ASN F OD1 7691 N ND2 . ASN F 50 ? 0.0447 0.0433 0.2678 0.0060 0.0393 0.0349 58 ASN F ND2 7692 N N . GLY F 51 ? 0.0490 0.0446 0.3076 0.0083 0.0493 0.0413 63 GLY F N 7693 C CA . GLY F 51 ? 0.0589 0.0465 0.3046 0.0123 0.0526 0.0438 63 GLY F CA 7694 C C . GLY F 51 ? 0.1272 0.0529 0.3684 0.0334 0.0541 0.0473 63 GLY F C 7695 O O . GLY F 51 ? 0.1479 0.0538 0.3772 0.0373 0.0578 0.0507 63 GLY F O 7696 N N . GLU F 52 ? 0.0824 0.0474 0.3239 0.0190 0.0544 0.0399 64 GLU F N 7697 C CA . GLU F 52 ? 0.0836 0.0464 0.3158 0.0184 0.0571 0.0374 64 GLU F CA 7698 C C . GLU F 52 ? 0.1086 0.0474 0.3472 0.0251 0.0540 0.0309 64 GLU F C 7699 O O . GLU F 52 ? 0.0945 0.0467 0.3427 0.0218 0.0513 0.0279 64 GLU F O 7700 C CB . GLU F 52 ? 0.1088 0.0515 0.3428 0.0290 0.0592 0.0447 64 GLU F CB 7701 C CG . GLU F 52 ? 0.3205 0.1887 0.5575 0.0571 0.0591 0.0475 64 GLU F CG 7702 C CD . GLU F 52 ? 0.6691 0.5283 0.9070 0.0667 0.0611 0.0555 64 GLU F CD 7703 O OE1 . GLU F 52 ? 0.6416 0.4942 0.8779 0.0710 0.0625 0.0650 64 GLU F OE1 7704 O OE2 . GLU F 52 ? 0.5489 0.4086 0.7884 0.0705 0.0617 0.0528 64 GLU F OE2 7705 N N . GLU F 53 ? 0.0725 0.0423 0.2978 0.0119 0.0563 0.0251 65 GLU F N 7706 C CA . GLU F 53 ? 0.0631 0.0404 0.2890 0.0078 0.0543 0.0180 65 GLU F CA 7707 C C . GLU F 53 ? 0.1137 0.0476 0.3503 0.0270 0.0536 0.0172 65 GLU F C 7708 O O . GLU F 53 ? 0.1072 0.0478 0.3389 0.0260 0.0557 0.0204 65 GLU F O 7709 C CB . GLU F 53 ? 0.0835 0.0404 0.2979 0.0104 0.0573 0.0141 65 GLU F CB 7710 C CG . GLU F 53 ? 0.2170 0.1194 0.4330 0.0192 0.0562 0.0048 65 GLU F CG 7711 C CD . GLU F 53 ? 0.4738 0.3697 0.6744 0.0113 0.0604 0.0001 65 GLU F CD 7712 O OE1 . GLU F 53 ? 0.4304 0.3168 0.6214 0.0053 0.0634 0.0002 65 GLU F OE1 7713 O OE2 . GLU F 53 ? 0.3388 0.2402 0.5366 0.0105 0.0612 -0.0045 65 GLU F OE2 7714 N N . ARG F 54 ? 0.0767 0.0436 0.3165 0.0145 0.0511 0.0135 66 ARG F N 7715 C CA . ARG F 54 ? 0.0672 0.0436 0.3076 0.0123 0.0512 0.0134 66 ARG F CA 7716 C C . ARG F 54 ? 0.0994 0.0542 0.3449 0.0299 0.0519 0.0045 66 ARG F C 7717 O O . ARG F 54 ? 0.1061 0.0548 0.3447 0.0317 0.0532 0.0013 66 ARG F O 7718 C CB . ARG F 54 ? 0.0489 0.0393 0.2945 0.0037 0.0503 0.0159 66 ARG F CB 7719 C CG . ARG F 54 ? 0.0696 0.0454 0.3276 0.0152 0.0513 0.0204 66 ARG F CG 7720 C CD . ARG F 54 ? 0.0637 0.0449 0.3207 0.0133 0.0541 0.0261 66 ARG F CD 7721 N NE . ARG F 54 ? 0.0666 0.0460 0.3140 0.0151 0.0556 0.0272 66 ARG F NE 7722 C CZ . ARG F 54 ? 0.1239 0.0610 0.3795 0.0445 0.0570 0.0307 66 ARG F CZ 7723 N NH1 . ARG F 54 ? 0.0466 0.0403 0.1837 0.0044 0.0353 0.0183 66 ARG F NH1 7724 N NH2 . ARG F 54 ? 0.0464 0.0408 0.1983 0.0049 0.0368 0.0213 66 ARG F NH2 7725 N N . ALA F 55 ? 0.0543 0.0409 0.2899 0.0054 0.0486 0.0052 67 ALA F N 7726 C CA . ALA F 55 ? 0.0573 0.0436 0.2888 0.0074 0.0479 -0.0006 67 ALA F CA 7727 C C . ALA F 55 ? 0.1190 0.0850 0.3644 0.0281 0.0504 -0.0118 67 ALA F C 7728 O O . ALA F 55 ? 0.1247 0.0823 0.3699 0.0239 0.0489 -0.0106 67 ALA F O 7729 C CB . ALA F 55 ? 0.0612 0.0487 0.2962 0.0121 0.0485 -0.0011 67 ALA F CB 7730 N N . LYS F 56 ? 0.0799 0.0573 0.3164 0.0214 0.0505 -0.0167 68 LYS F N 7731 C CA . LYS F 56 ? 0.0829 0.0609 0.3108 0.0114 0.0500 -0.0226 68 LYS F CA 7732 C C . LYS F 56 ? 0.1584 0.1581 0.3847 0.0083 0.0497 -0.0287 68 LYS F C 7733 O O . LYS F 56 ? 0.1475 0.1605 0.3733 0.0119 0.0510 -0.0302 68 LYS F O 7734 C CB . LYS F 56 ? 0.1067 0.0716 0.3231 0.0055 0.0523 -0.0230 68 LYS F CB 7735 C CG . LYS F 56 ? 0.1738 0.1316 0.3798 -0.0062 0.0534 -0.0268 68 LYS F CG 7736 C CD . LYS F 56 ? 0.2496 0.2004 0.4428 -0.0129 0.0576 -0.0303 68 LYS F CD 7737 C CE . LYS F 56 ? 0.4262 0.3547 0.6086 -0.0187 0.0618 -0.0282 68 LYS F CE 7738 N NZ . LYS F 56 ? 0.4897 0.4090 0.6577 -0.0266 0.0675 -0.0326 68 LYS F NZ 7739 N N . GLY F 57 ? 0.1448 0.1490 0.3694 0.0017 0.0481 -0.0319 69 GLY F N 7740 C CA . GLY F 57 ? 0.1536 0.1786 0.3758 -0.0020 0.0477 -0.0371 69 GLY F CA 7741 C C . GLY F 57 ? 0.2398 0.2702 0.4511 -0.0137 0.0486 -0.0435 69 GLY F C 7742 O O . GLY F 57 ? 0.2270 0.2448 0.4317 -0.0178 0.0505 -0.0441 69 GLY F O 7743 N N . ASN F 58 ? 0.2452 0.2944 0.4541 -0.0190 0.0478 -0.0482 70 ASN F N 7744 C CA . ASN F 58 ? 0.2780 0.3344 0.4768 -0.0321 0.0491 -0.0555 70 ASN F CA 7745 C C . ASN F 58 ? 0.3734 0.4113 0.5671 -0.0410 0.0496 -0.0564 70 ASN F C 7746 O O . ASN F 58 ? 0.3800 0.4263 0.5717 -0.0475 0.0488 -0.0596 70 ASN F O 7747 C CB . ASN F 58 ? 0.3032 0.3908 0.5026 -0.0332 0.0481 -0.0593 70 ASN F CB 7748 C CG . ASN F 58 ? 0.7517 0.8552 0.9426 -0.0439 0.0498 -0.0670 70 ASN F CG 7749 O OD1 . ASN F 58 ? 0.7223 0.8412 0.9134 -0.0399 0.0507 -0.0681 70 ASN F OD1 7750 N ND2 . ASN F 58 ? 0.6986 0.8000 0.8820 -0.0579 0.0509 -0.0729 70 ASN F ND2 7751 N N . ILE F 59 ? 0.3482 0.3613 0.5399 -0.0399 0.0513 -0.0524 71 ILE F N 7752 C CA . ILE F 59 ? 0.3575 0.3511 0.5448 -0.0446 0.0529 -0.0508 71 ILE F CA 7753 C C . ILE F 59 ? 0.4339 0.4160 0.6078 -0.0563 0.0587 -0.0556 71 ILE F C 7754 O O . ILE F 59 ? 0.4328 0.4122 0.6008 -0.0589 0.0617 -0.0580 71 ILE F O 7755 C CB . ILE F 59 ? 0.3945 0.3708 0.5874 -0.0352 0.0521 -0.0427 71 ILE F CB 7756 C CG1 . ILE F 59 ? 0.4034 0.3681 0.5954 -0.0368 0.0522 -0.0399 71 ILE F CG1 7757 C CG2 . ILE F 59 ? 0.4141 0.3753 0.6022 -0.0328 0.0556 -0.0397 71 ILE F CG2 7758 C CD1 . ILE F 59 ? 0.4837 0.4353 0.6810 -0.0285 0.0514 -0.0321 71 ILE F CD1 7759 N N . LEU F 60 ? 0.4038 0.3787 0.5727 -0.0635 0.0609 -0.0571 72 LEU F N 7760 C CA . LEU F 60 ? 0.4167 0.3774 0.5723 -0.0751 0.0684 -0.0615 72 LEU F CA 7761 C C . LEU F 60 ? 0.4590 0.3923 0.6077 -0.0716 0.0740 -0.0555 72 LEU F C 7762 O O . LEU F 60 ? 0.4456 0.3724 0.6010 -0.0611 0.0713 -0.0476 72 LEU F O 7763 C CB . LEU F 60 ? 0.4223 0.3836 0.5760 -0.0811 0.0695 -0.0634 72 LEU F CB 7764 C CG . LEU F 60 ? 0.4732 0.4609 0.6328 -0.0841 0.0643 -0.0680 72 LEU F CG 7765 C CD1 . LEU F 60 ? 0.4750 0.4613 0.6374 -0.0829 0.0628 -0.0656 72 LEU F CD1 7766 C CD2 . LEU F 60 ? 0.5141 0.5139 0.6659 -0.0976 0.0678 -0.0774 72 LEU F CD2 7767 N N . GLU F 61 ? 0.4192 0.3367 0.5541 -0.0807 0.0826 -0.0593 74 GLU F N 7768 C CA . GLU F 61 ? 0.4175 0.3070 0.5429 -0.0774 0.0901 -0.0530 74 GLU F CA 7769 C C . GLU F 61 ? 0.4170 0.2923 0.5408 -0.0735 0.0935 -0.0461 74 GLU F C 7770 O O . GLU F 61 ? 0.4091 0.2684 0.5308 -0.0649 0.0963 -0.0373 74 GLU F O 7771 C CB . GLU F 61 ? 0.4627 0.3382 0.5719 -0.0893 0.1000 -0.0599 74 GLU F CB 7772 C CG . GLU F 61 ? 0.6849 0.5299 0.7817 -0.0859 0.1095 -0.0535 74 GLU F CG 7773 C CD . GLU F 61 ? 1.0651 0.9069 1.1675 -0.0730 0.1054 -0.0453 74 GLU F CD 7774 O OE1 . GLU F 61 ? 0.9929 0.8519 1.1028 -0.0709 0.0988 -0.0484 74 GLU F OE1 7775 O OE2 . GLU F 61 ? 1.0659 0.8886 1.1646 -0.0645 0.1096 -0.0352 74 GLU F OE2 7776 N N . ARG F 62 ? 0.3392 0.2226 0.4643 -0.0788 0.0930 -0.0497 75 ARG F N 7777 C CA . ARG F 62 ? 0.3281 0.2019 0.4520 -0.0750 0.0961 -0.0439 75 ARG F CA 7778 C C . ARG F 62 ? 0.3495 0.2355 0.4877 -0.0632 0.0865 -0.0372 75 ARG F C 7779 O O . ARG F 62 ? 0.3449 0.2267 0.4836 -0.0586 0.0878 -0.0320 75 ARG F O 7780 C CB . ARG F 62 ? 0.3226 0.1999 0.4420 -0.0853 0.0998 -0.0504 75 ARG F CB 7781 C CG . ARG F 62 ? 0.3580 0.2623 0.4869 -0.0901 0.0910 -0.0576 75 ARG F CG 7782 C CD . ARG F 62 ? 0.3535 0.2589 0.4770 -0.1002 0.0959 -0.0630 75 ARG F CD 7783 N NE . ARG F 62 ? 0.3839 0.3162 0.5168 -0.1027 0.0873 -0.0678 75 ARG F NE 7784 C CZ . ARG F 62 ? 0.5554 0.4986 0.6973 -0.0961 0.0807 -0.0644 75 ARG F CZ 7785 N NH1 . ARG F 62 ? 0.3673 0.3340 0.5162 -0.0979 0.0740 -0.0682 75 ARG F NH1 7786 N NH2 . ARG F 62 ? 0.4463 0.3779 0.5897 -0.0873 0.0813 -0.0570 75 ARG F NH2 7787 N N . PHE F 63 ? 0.2939 0.1949 0.4433 -0.0584 0.0779 -0.0376 76 PHE F N 7788 C CA . PHE F 63 ? 0.2748 0.1867 0.4377 -0.0485 0.0696 -0.0327 76 PHE F CA 7789 C C . PHE F 63 ? 0.3222 0.2255 0.4873 -0.0403 0.0695 -0.0261 76 PHE F C 7790 O O . PHE F 63 ? 0.3174 0.2219 0.4824 -0.0404 0.0692 -0.0282 76 PHE F O 7791 C CB . PHE F 63 ? 0.2856 0.2202 0.4586 -0.0492 0.0620 -0.0383 76 PHE F CB 7792 C CG . PHE F 63 ? 0.3053 0.2532 0.4816 -0.0526 0.0587 -0.0420 76 PHE F CG 7793 C CD1 . PHE F 63 ? 0.3570 0.2989 0.5251 -0.0596 0.0636 -0.0441 76 PHE F CD1 7794 C CD2 . PHE F 63 ? 0.3196 0.2853 0.5061 -0.0486 0.0519 -0.0432 76 PHE F CD2 7795 C CE1 . PHE F 63 ? 0.3659 0.3203 0.5371 -0.0621 0.0605 -0.0470 76 PHE F CE1 7796 C CE2 . PHE F 63 ? 0.3555 0.3328 0.5441 -0.0511 0.0493 -0.0460 76 PHE F CE2 7797 C CZ . PHE F 63 ? 0.3433 0.3154 0.5245 -0.0578 0.0530 -0.0479 76 PHE F CZ 7798 N N . SER F 64 ? 0.2689 0.1646 0.4356 -0.0329 0.0702 -0.0180 77 SER F N 7799 C CA . SER F 64 ? 0.2557 0.1441 0.4248 -0.0248 0.0702 -0.0108 77 SER F CA 7800 C C . SER F 64 ? 0.2716 0.1686 0.4525 -0.0169 0.0644 -0.0052 77 SER F C 7801 O O . SER F 64 ? 0.2782 0.1830 0.4623 -0.0174 0.0621 -0.0057 77 SER F O 7802 C CB . SER F 64 ? 0.3215 0.1880 0.4760 -0.0243 0.0801 -0.0052 77 SER F CB 7803 O OG . SER F 64 ? 0.4720 0.3322 0.6206 -0.0230 0.0851 -0.0006 77 SER F OG 7804 N N . ALA F 65 ? 0.1782 0.0745 0.3656 -0.0099 0.0622 -0.0001 78 ALA F N 7805 C CA . ALA F 65 ? 0.1442 0.0495 0.3431 -0.0038 0.0572 0.0044 78 ALA F CA 7806 C C . ALA F 65 ? 0.1779 0.0752 0.3771 0.0037 0.0592 0.0137 78 ALA F C 7807 O O . ALA F 65 ? 0.1787 0.0629 0.3698 0.0052 0.0639 0.0166 78 ALA F O 7808 C CB . ALA F 65 ? 0.1359 0.0554 0.3479 -0.0036 0.0504 -0.0010 78 ALA F CB 7809 N N . GLN F 66 ? 0.1048 0.0392 0.3127 0.0066 0.0558 0.0169 79 GLN F N 7810 C CA . GLN F 66 ? 0.0868 0.0408 0.2972 0.0096 0.0568 0.0242 79 GLN F CA 7811 C C . GLN F 66 ? 0.0881 0.0414 0.3137 0.0113 0.0502 0.0248 79 GLN F C 7812 O O . GLN F 66 ? 0.0745 0.0401 0.3056 0.0077 0.0463 0.0195 79 GLN F O 7813 C CB . GLN F 66 ? 0.1130 0.0430 0.3132 0.0152 0.0627 0.0333 79 GLN F CB 7814 C CG . GLN F 66 ? 0.1846 0.0638 0.3673 0.0182 0.0717 0.0387 79 GLN F CG 7815 C CD . GLN F 66 ? 0.3810 0.2545 0.5534 0.0245 0.0792 0.0495 79 GLN F CD 7816 O OE1 . GLN F 66 ? 0.3175 0.1770 0.4807 0.0302 0.0859 0.0581 79 GLN F OE1 7817 N NE2 . GLN F 66 ? 0.2769 0.1615 0.4499 0.0246 0.0789 0.0499 79 GLN F NE2 7818 N N . GLN F 67 ? 0.0480 0.0410 0.2662 0.0055 0.0479 0.0260 80 GLN F N 7819 C CA . GLN F 67 ? 0.0455 0.0409 0.2617 0.0047 0.0408 0.0256 80 GLN F CA 7820 C C . GLN F 67 ? 0.0663 0.0458 0.3073 0.0134 0.0480 0.0394 80 GLN F C 7821 O O . GLN F 67 ? 0.0610 0.0467 0.2961 0.0128 0.0523 0.0437 80 GLN F O 7822 C CB . GLN F 67 ? 0.0446 0.0403 0.2754 0.0039 0.0396 0.0233 80 GLN F CB 7823 C CG . GLN F 67 ? 0.0437 0.0402 0.3064 0.0036 0.0391 0.0245 80 GLN F CG 7824 C CD . GLN F 67 ? 0.1320 0.0756 0.4151 0.0260 0.0387 0.0252 80 GLN F CD 7825 O OE1 . GLN F 67 ? 0.0418 0.0395 0.2015 0.0024 0.0248 0.0155 80 GLN F OE1 7826 N NE2 . GLN F 67 ? 0.0458 0.0397 0.3324 0.0036 0.0372 0.0187 80 GLN F NE2 7827 N N . PHE F 68 ? 0.0460 0.0440 0.2689 0.0069 0.0430 0.0373 81 PHE F N 7828 C CA . PHE F 68 ? 0.0475 0.0479 0.2786 0.0097 0.0477 0.0488 81 PHE F CA 7829 C C . PHE F 68 ? 0.1136 0.0775 0.3756 0.0368 0.0431 0.0589 81 PHE F C 7830 O O . PHE F 68 ? 0.1275 0.0936 0.4007 0.0324 0.0396 0.0507 81 PHE F O 7831 C CB . PHE F 68 ? 0.0606 0.0535 0.2993 0.0176 0.0468 0.0537 81 PHE F CB 7832 C CG . PHE F 68 ? 0.0780 0.0577 0.3052 0.0260 0.0522 0.0575 81 PHE F CG 7833 C CD1 . PHE F 68 ? 0.1054 0.0586 0.3307 0.0302 0.0523 0.0518 81 PHE F CD1 7834 C CD2 . PHE F 68 ? 0.0988 0.0708 0.3213 0.0415 0.0565 0.0705 81 PHE F CD2 7835 C CE1 . PHE F 68 ? 0.1189 0.0629 0.3297 0.0313 0.0591 0.0544 81 PHE F CE1 7836 C CE2 . PHE F 68 ? 0.1371 0.0982 0.3449 0.0448 0.0638 0.0740 81 PHE F CE2 7837 C CZ . PHE F 68 ? 0.1121 0.0616 0.3138 0.0375 0.0654 0.0649 81 PHE F CZ 7838 N N . PRO F 69 ? 0.0857 0.0662 0.3416 0.0334 0.0466 0.0680 83 PRO F N 7839 C CA . PRO F 69 ? 0.0781 0.0675 0.3451 0.0315 0.0443 0.0700 83 PRO F CA 7840 C C . PRO F 69 ? 0.1189 0.1166 0.4086 0.0367 0.0370 0.0642 83 PRO F C 7841 O O . PRO F 69 ? 0.1138 0.1131 0.4157 0.0351 0.0354 0.0617 83 PRO F O 7842 C CB . PRO F 69 ? 0.0966 0.0838 0.3619 0.0469 0.0471 0.0860 83 PRO F CB 7843 C CG . PRO F 69 ? 0.1576 0.1223 0.4081 0.0581 0.0526 0.0931 83 PRO F CG 7844 C CD . PRO F 69 ? 0.1058 0.0770 0.3505 0.0461 0.0521 0.0811 83 PRO F CD 7845 N N . ASP F 70 ? 0.0793 0.0916 0.3673 0.0317 0.0348 0.0593 84 ASP F N 7846 C CA . ASP F 70 ? 0.0689 0.1001 0.3688 0.0230 0.0300 0.0497 84 ASP F CA 7847 C C . ASP F 70 ? 0.1341 0.1542 0.4376 0.0166 0.0287 0.0370 84 ASP F C 7848 O O . ASP F 70 ? 0.1462 0.1769 0.4570 0.0089 0.0259 0.0276 84 ASP F O 7849 C CB . ASP F 70 ? 0.0949 0.1483 0.3913 0.0213 0.0284 0.0502 84 ASP F CB 7850 C CG . ASP F 70 ? 0.2667 0.3154 0.5522 0.0205 0.0291 0.0463 84 ASP F CG 7851 O OD1 . ASP F 70 ? 0.2868 0.3149 0.5667 0.0204 0.0309 0.0429 84 ASP F OD1 7852 O OD2 . ASP F 70 ? 0.3439 0.4112 0.6270 0.0200 0.0280 0.0467 84 ASP F OD2 7853 N N . LEU F 71 ? 0.0750 0.0742 0.3721 0.0201 0.0314 0.0373 85 LEU F N 7854 C CA . LEU F 71 ? 0.0643 0.0517 0.3631 0.0172 0.0316 0.0282 85 LEU F CA 7855 C C . LEU F 71 ? 0.1081 0.0972 0.4005 0.0122 0.0302 0.0207 85 LEU F C 7856 O O . LEU F 71 ? 0.0771 0.0580 0.3693 0.0104 0.0306 0.0140 85 LEU F O 7857 C CB . LEU F 71 ? 0.0597 0.0496 0.3725 0.0138 0.0311 0.0223 85 LEU F CB 7858 C CG . LEU F 71 ? 0.1099 0.0972 0.4301 0.0189 0.0329 0.0297 85 LEU F CG 7859 C CD1 . LEU F 71 ? 0.1124 0.1073 0.4466 0.0135 0.0330 0.0240 85 LEU F CD1 7860 C CD2 . LEU F 71 ? 0.0966 0.0655 0.4129 0.0266 0.0361 0.0341 85 LEU F CD2 7861 N N . HIS F 72 ? 0.0777 0.0771 0.3638 0.0115 0.0293 0.0229 86 HIS F N 7862 C CA . HIS F 72 ? 0.0791 0.0793 0.3583 0.0079 0.0285 0.0170 86 HIS F CA 7863 C C . HIS F 72 ? 0.1375 0.1202 0.4055 0.0108 0.0322 0.0191 86 HIS F C 7864 O O . HIS F 72 ? 0.1604 0.1330 0.4233 0.0161 0.0356 0.0268 86 HIS F O 7865 C CB . HIS F 72 ? 0.0906 0.1077 0.3665 0.0074 0.0272 0.0193 86 HIS F CB 7866 C CG . HIS F 72 ? 0.1387 0.1510 0.4013 0.0132 0.0316 0.0277 86 HIS F CG 7867 N ND1 . HIS F 72 ? 0.1654 0.1820 0.4244 0.0200 0.0347 0.0390 86 HIS F ND1 7868 C CD2 . HIS F 72 ? 0.1665 0.1710 0.4186 0.0130 0.0342 0.0263 86 HIS F CD2 7869 C CE1 . HIS F 72 ? 0.1673 0.1765 0.4130 0.0242 0.0400 0.0443 86 HIS F CE1 7870 N NE2 . HIS F 72 ? 0.1732 0.1746 0.4147 0.0197 0.0399 0.0366 86 HIS F NE2 7871 N N . SER F 73 ? 0.0841 0.0634 0.3484 0.0068 0.0317 0.0119 87 SER F N 7872 C CA . SER F 73 ? 0.0821 0.0473 0.3363 0.0075 0.0351 0.0120 87 SER F CA 7873 C C . SER F 73 ? 0.1514 0.1174 0.3960 0.0050 0.0364 0.0105 87 SER F C 7874 O O . SER F 73 ? 0.1514 0.1288 0.3988 0.0021 0.0334 0.0064 87 SER F O 7875 C CB . SER F 73 ? 0.1114 0.0723 0.3698 0.0056 0.0342 0.0052 87 SER F CB 7876 O OG . SER F 73 ? 0.1958 0.1463 0.4446 0.0053 0.0373 0.0047 87 SER F OG 7877 N N . GLU F 74 ? 0.1251 0.0781 0.3580 0.0060 0.0415 0.0135 88 GLU F N 7878 C CA . GLU F 74 ? 0.1241 0.0738 0.3465 0.0035 0.0448 0.0122 88 GLU F CA 7879 C C . GLU F 74 ? 0.1914 0.1314 0.4082 -0.0012 0.0466 0.0063 88 GLU F C 7880 O O . GLU F 74 ? 0.1919 0.1223 0.4065 -0.0003 0.0488 0.0074 88 GLU F O 7881 C CB . GLU F 74 ? 0.1476 0.0903 0.3592 0.0086 0.0516 0.0218 88 GLU F CB 7882 C CG . GLU F 74 ? 0.2859 0.2441 0.5014 0.0130 0.0501 0.0273 88 GLU F CG 7883 C CD . GLU F 74 ? 0.6352 0.5895 0.8395 0.0201 0.0580 0.0383 88 GLU F CD 7884 O OE1 . GLU F 74 ? 0.5770 0.5136 0.7681 0.0207 0.0661 0.0408 88 GLU F OE1 7885 O OE2 . GLU F 74 ? 0.5643 0.5339 0.7725 0.0250 0.0568 0.0443 88 GLU F OE2 7886 N N . LEU F 75 ? 0.1507 0.0954 0.3659 -0.0063 0.0453 -0.0003 89 LEU F N 7887 C CA . LEU F 75 ? 0.1454 0.0848 0.3548 -0.0116 0.0472 -0.0061 89 LEU F CA 7888 C C . LEU F 75 ? 0.2101 0.1423 0.4076 -0.0145 0.0531 -0.0053 89 LEU F C 7889 O O . LEU F 75 ? 0.2145 0.1537 0.4123 -0.0149 0.0521 -0.0060 89 LEU F O 7890 C CB . LEU F 75 ? 0.1328 0.0835 0.3496 -0.0149 0.0418 -0.0137 89 LEU F CB 7891 C CG . LEU F 75 ? 0.1711 0.1213 0.3826 -0.0203 0.0434 -0.0195 89 LEU F CG 7892 C CD1 . LEU F 75 ? 0.1709 0.1155 0.3815 -0.0191 0.0452 -0.0190 89 LEU F CD1 7893 C CD2 . LEU F 75 ? 0.1471 0.1101 0.3641 -0.0222 0.0391 -0.0253 89 LEU F CD2 7894 N N . ASN F 76 ? 0.1843 0.1018 0.3712 -0.0160 0.0601 -0.0035 90 ASN F N 7895 C CA . ASN F 76 ? 0.1995 0.1058 0.3734 -0.0188 0.0684 -0.0024 90 ASN F CA 7896 C C . ASN F 76 ? 0.2594 0.1642 0.4284 -0.0282 0.0700 -0.0111 90 ASN F C 7897 O O . ASN F 76 ? 0.2571 0.1584 0.4243 -0.0318 0.0705 -0.0147 90 ASN F O 7898 C CB . ASN F 76 ? 0.2163 0.1052 0.3797 -0.0144 0.0771 0.0057 90 ASN F CB 7899 C CG . ASN F 76 ? 0.4157 0.3096 0.5845 -0.0049 0.0753 0.0148 90 ASN F CG 7900 O OD1 . ASN F 76 ? 0.3971 0.2998 0.5674 -0.0009 0.0750 0.0187 90 ASN F OD1 7901 N ND2 . ASN F 76 ? 0.2255 0.1163 0.3977 -0.0012 0.0737 0.0184 90 ASN F ND2 7902 N N . LEU F 77 ? 0.2106 0.1206 0.3781 -0.0320 0.0703 -0.0146 91 LEU F N 7903 C CA . LEU F 77 ? 0.2066 0.1183 0.3699 -0.0414 0.0718 -0.0227 91 LEU F CA 7904 C C . LEU F 77 ? 0.2742 0.1717 0.4246 -0.0453 0.0824 -0.0219 91 LEU F C 7905 O O . LEU F 77 ? 0.2806 0.1794 0.4304 -0.0417 0.0840 -0.0187 91 LEU F O 7906 C CB . LEU F 77 ? 0.1884 0.1190 0.3614 -0.0427 0.0634 -0.0276 91 LEU F CB 7907 C CG . LEU F 77 ? 0.2202 0.1640 0.4059 -0.0374 0.0544 -0.0276 91 LEU F CG 7908 C CD1 . LEU F 77 ? 0.2120 0.1707 0.4040 -0.0383 0.0485 -0.0316 91 LEU F CD1 7909 C CD2 . LEU F 77 ? 0.2133 0.1586 0.4014 -0.0383 0.0529 -0.0300 91 LEU F CD2 7910 N N . SER F 78 ? 0.2393 0.1231 0.3789 -0.0525 0.0903 -0.0252 92 SER F N 7911 C CA . SER F 78 ? 0.2631 0.1298 0.3890 -0.0572 0.1028 -0.0250 92 SER F CA 7912 C C . SER F 78 ? 0.3103 0.1806 0.4325 -0.0702 0.1048 -0.0351 92 SER F C 7913 O O . SER F 78 ? 0.2907 0.1774 0.4201 -0.0751 0.0967 -0.0417 92 SER F O 7914 C CB . SER F 78 ? 0.3306 0.1741 0.4438 -0.0555 0.1136 -0.0199 92 SER F CB 7915 O OG . SER F 78 ? 0.4240 0.2659 0.5362 -0.0609 0.1120 -0.0248 92 SER F OG 7916 N N . SER F 79 ? 0.2863 0.1421 0.3971 -0.0755 0.1164 -0.0360 93 SER F N 7917 C CA . SER F 79 ? 0.2941 0.1506 0.3996 -0.0889 0.1211 -0.0452 93 SER F CA 7918 C C . SER F 79 ? 0.3109 0.1946 0.4292 -0.0911 0.1086 -0.0505 93 SER F C 7919 O O . SER F 79 ? 0.3167 0.2132 0.4366 -0.1006 0.1050 -0.0586 93 SER F O 7920 C CB . SER F 79 ? 0.3548 0.2007 0.4504 -0.1001 0.1277 -0.0521 93 SER F CB 7921 O OG . SER F 79 ? 0.4930 0.3109 0.5749 -0.0976 0.1409 -0.0466 93 SER F OG 7922 N N . LEU F 80 ? 0.2213 0.1146 0.3481 -0.0817 0.1022 -0.0453 94 LEU F N 7923 C CA . LEU F 80 ? 0.1897 0.1065 0.3282 -0.0808 0.0907 -0.0481 94 LEU F CA 7924 C C . LEU F 80 ? 0.2258 0.1514 0.3623 -0.0916 0.0920 -0.0555 94 LEU F C 7925 O O . LEU F 80 ? 0.2257 0.1392 0.3534 -0.0976 0.1021 -0.0570 94 LEU F O 7926 C CB . LEU F 80 ? 0.1800 0.1024 0.3256 -0.0694 0.0854 -0.0415 94 LEU F CB 7927 C CG . LEU F 80 ? 0.2287 0.1515 0.3805 -0.0594 0.0802 -0.0355 94 LEU F CG 7928 C CD1 . LEU F 80 ? 0.2227 0.1468 0.3773 -0.0496 0.0793 -0.0286 94 LEU F CD1 7929 C CD2 . LEU F 80 ? 0.2227 0.1617 0.3852 -0.0586 0.0694 -0.0386 94 LEU F CD2 7930 N N . GLU F 81 ? 0.1660 0.1130 0.3103 -0.0940 0.0829 -0.0600 95 GLU F N 7931 C CA . GLU F 81 ? 0.1655 0.1285 0.3103 -0.1032 0.0815 -0.0665 95 GLU F CA 7932 C C . GLU F 81 ? 0.1882 0.1701 0.3431 -0.0959 0.0715 -0.0643 95 GLU F C 7933 O O . GLU F 81 ? 0.1732 0.1576 0.3351 -0.0859 0.0650 -0.0598 95 GLU F O 7934 C CB . GLU F 81 ? 0.1888 0.1627 0.3321 -0.1121 0.0807 -0.0734 95 GLU F CB 7935 C CG . GLU F 81 ? 0.4086 0.3635 0.5403 -0.1213 0.0913 -0.0772 95 GLU F CG 7936 C CD . GLU F 81 ? 0.8124 0.7763 0.9430 -0.1272 0.0899 -0.0827 95 GLU F CD 7937 O OE1 . GLU F 81 ? 0.8166 0.8064 0.9542 -0.1276 0.0819 -0.0857 95 GLU F OE1 7938 O OE2 . GLU F 81 ? 0.7787 0.7238 0.9004 -0.1307 0.0974 -0.0837 95 GLU F OE2 7939 N N . LEU F 82 ? 0.1393 0.1342 0.2920 -0.0987 0.0706 -0.0676 96 LEU F N 7940 C CA . LEU F 82 ? 0.1193 0.1303 0.2736 -0.0866 0.0622 -0.0656 96 LEU F CA 7941 C C . LEU F 82 ? 0.1253 0.1527 0.2954 -0.0893 0.0541 -0.0651 96 LEU F C 7942 O O . LEU F 82 ? 0.1021 0.1334 0.2762 -0.0782 0.0482 -0.0612 96 LEU F O 7943 C CB . LEU F 82 ? 0.1216 0.1445 0.2733 -0.0943 0.0633 -0.0694 96 LEU F CB 7944 C CG . LEU F 82 ? 0.1855 0.1967 0.3406 -0.1072 0.0719 -0.0694 96 LEU F CG 7945 C CD1 . LEU F 82 ? 0.1907 0.2164 0.3439 -0.1179 0.0737 -0.0745 96 LEU F CD1 7946 C CD2 . LEU F 82 ? 0.2180 0.2230 0.3762 -0.0958 0.0698 -0.0629 96 LEU F CD2 7947 N N . GLY F 83 ? 0.1043 0.1331 0.2547 -0.0794 0.0552 -0.0688 97 GLY F N 7948 C CA . GLY F 83 ? 0.0959 0.1375 0.2530 -0.0759 0.0496 -0.0683 97 GLY F CA 7949 C C . GLY F 83 ? 0.1630 0.2004 0.3424 -0.0790 0.0466 -0.0636 97 GLY F C 7950 O O . GLY F 83 ? 0.1511 0.1989 0.3362 -0.0723 0.0423 -0.0621 97 GLY F O 7951 N N . ASP F 84 ? 0.1371 0.1538 0.3140 -0.0772 0.0499 -0.0606 98 ASP F N 7952 C CA . ASP F 84 ? 0.1291 0.1358 0.3106 -0.0681 0.0477 -0.0557 98 ASP F CA 7953 C C . ASP F 84 ? 0.1711 0.1821 0.3592 -0.0603 0.0424 -0.0525 98 ASP F C 7954 O O . ASP F 84 ? 0.1728 0.1804 0.3663 -0.0533 0.0396 -0.0494 98 ASP F O 7955 C CB . ASP F 84 ? 0.1630 0.1487 0.3385 -0.0688 0.0541 -0.0531 98 ASP F CB 7956 C CG . ASP F 84 ? 0.2914 0.2691 0.4588 -0.0769 0.0606 -0.0565 98 ASP F CG 7957 O OD1 . ASP F 84 ? 0.2726 0.2617 0.4414 -0.0797 0.0585 -0.0602 98 ASP F OD1 7958 O OD2 . ASP F 84 ? 0.4185 0.3785 0.5774 -0.0800 0.0685 -0.0554 98 ASP F OD2 7959 N N . SER F 85 ? 0.1048 0.1233 0.2921 -0.0617 0.0413 -0.0535 99 SER F N 7960 C CA . SER F 85 ? 0.0932 0.1167 0.2855 -0.0550 0.0364 -0.0513 99 SER F CA 7961 C C . SER F 85 ? 0.1384 0.1716 0.3366 -0.0498 0.0321 -0.0513 99 SER F C 7962 O O . SER F 85 ? 0.1241 0.1705 0.3221 -0.0512 0.0316 -0.0530 99 SER F O 7963 C CB . SER F 85 ? 0.1331 0.1641 0.3228 -0.0576 0.0364 -0.0525 99 SER F CB 7964 O OG . SER F 85 ? 0.2885 0.3092 0.4725 -0.0616 0.0418 -0.0522 99 SER F OG 7965 N N . ALA F 86 ? 0.1033 0.1304 0.3066 -0.0438 0.0301 -0.0490 100 ALA F N 7966 C CA . ALA F 86 ? 0.0907 0.1231 0.2996 -0.0384 0.0279 -0.0487 100 ALA F CA 7967 C C . ALA F 86 ? 0.1349 0.1597 0.3490 -0.0336 0.0260 -0.0470 100 ALA F C 7968 O O . ALA F 86 ? 0.1370 0.1555 0.3505 -0.0339 0.0257 -0.0457 100 ALA F O 7969 C CB . ALA F 86 ? 0.0969 0.1307 0.3061 -0.0391 0.0299 -0.0491 100 ALA F CB 7970 N N . LEU F 87 ? 0.0937 0.1203 0.3129 -0.0290 0.0254 -0.0468 101 LEU F N 7971 C CA . LEU F 87 ? 0.0944 0.1147 0.3194 -0.0256 0.0243 -0.0461 101 LEU F CA 7972 C C . LEU F 87 ? 0.1204 0.1347 0.3485 -0.0243 0.0260 -0.0442 101 LEU F C 7973 O O . LEU F 87 ? 0.1192 0.1366 0.3467 -0.0235 0.0279 -0.0441 101 LEU F O 7974 C CB . LEU F 87 ? 0.1013 0.1249 0.3290 -0.0217 0.0245 -0.0474 101 LEU F CB 7975 C CG . LEU F 87 ? 0.1774 0.2031 0.4032 -0.0222 0.0224 -0.0492 101 LEU F CG 7976 C CD1 . LEU F 87 ? 0.1857 0.2153 0.4099 -0.0186 0.0244 -0.0499 101 LEU F CD1 7977 C CD2 . LEU F 87 ? 0.2183 0.2392 0.4480 -0.0226 0.0203 -0.0502 101 LEU F CD2 7978 N N . TYR F 88 ? 0.0527 0.0591 0.2767 -0.0173 0.0257 -0.0419 102 TYR F N 7979 C CA . TYR F 88 ? 0.0416 0.0448 0.2597 -0.0050 0.0278 -0.0386 102 TYR F CA 7980 C C . TYR F 88 ? 0.0865 0.0856 0.3281 -0.0188 0.0260 -0.0392 102 TYR F C 7981 O O . TYR F 88 ? 0.0834 0.0828 0.3268 -0.0196 0.0240 -0.0390 102 TYR F O 7982 C CB . TYR F 88 ? 0.0418 0.0435 0.2475 -0.0046 0.0283 -0.0340 102 TYR F CB 7983 C CG . TYR F 88 ? 0.0428 0.0442 0.2375 -0.0055 0.0309 -0.0352 102 TYR F CG 7984 C CD1 . TYR F 88 ? 0.0519 0.0522 0.2517 -0.0139 0.0319 -0.0384 102 TYR F CD1 7985 C CD2 . TYR F 88 ? 0.0436 0.0445 0.2382 -0.0061 0.0336 -0.0360 102 TYR F CD2 7986 C CE1 . TYR F 88 ? 0.0542 0.0544 0.2437 -0.0162 0.0350 -0.0404 102 TYR F CE1 7987 C CE2 . TYR F 88 ? 0.0524 0.0514 0.2444 -0.0138 0.0370 -0.0397 102 TYR F CE2 7988 C CZ . TYR F 88 ? 0.0966 0.0914 0.3025 -0.0397 0.0366 -0.0425 102 TYR F CZ 7989 O OH . TYR F 88 ? 0.0843 0.0807 0.2804 -0.0443 0.0401 -0.0456 102 TYR F OH 7990 N N . PHE F 89 ? 0.0544 0.0529 0.3003 -0.0152 0.0279 -0.0393 103 PHE F N 7991 C CA . PHE F 89 ? 0.0597 0.0551 0.3133 -0.0130 0.0285 -0.0395 103 PHE F CA 7992 C C . PHE F 89 ? 0.1474 0.1370 0.4051 -0.0104 0.0296 -0.0357 103 PHE F C 7993 O O . PHE F 89 ? 0.1457 0.1335 0.4013 -0.0083 0.0313 -0.0335 103 PHE F O 7994 C CB . PHE F 89 ? 0.0749 0.0716 0.3308 -0.0098 0.0317 -0.0419 103 PHE F CB 7995 C CG . PHE F 89 ? 0.0927 0.0941 0.3443 -0.0113 0.0312 -0.0451 103 PHE F CG 7996 C CD1 . PHE F 89 ? 0.1340 0.1345 0.3870 -0.0141 0.0299 -0.0483 103 PHE F CD1 7997 C CD2 . PHE F 89 ? 0.1152 0.1233 0.3610 -0.0101 0.0322 -0.0450 103 PHE F CD2 7998 C CE1 . PHE F 89 ? 0.1487 0.1527 0.3968 -0.0151 0.0295 -0.0510 103 PHE F CE1 7999 C CE2 . PHE F 89 ? 0.1528 0.1651 0.3942 -0.0108 0.0319 -0.0471 103 PHE F CE2 8000 C CZ . PHE F 89 ? 0.1318 0.1410 0.3742 -0.0129 0.0307 -0.0499 103 PHE F CZ 8001 N N . CYS F 90 ? 0.1203 0.1083 0.3839 -0.0108 0.0287 -0.0351 104 CYS F N 8002 C CA . CYS F 90 ? 0.1292 0.1123 0.3981 -0.0080 0.0299 -0.0313 104 CYS F CA 8003 C C . CYS F 90 ? 0.1331 0.1141 0.4098 -0.0059 0.0330 -0.0334 104 CYS F C 8004 O O . CYS F 90 ? 0.1192 0.1022 0.3977 -0.0087 0.0332 -0.0379 104 CYS F O 8005 C CB . CYS F 90 ? 0.1600 0.1450 0.4299 -0.0100 0.0274 -0.0284 104 CYS F CB 8006 S SG . CYS F 90 ? 0.2270 0.2065 0.5020 -0.0058 0.0287 -0.0218 104 CYS F SG 8007 N N . ALA F 91 ? 0.0468 0.0408 0.3273 -0.0030 0.0359 -0.0283 105 ALA F N 8008 C CA . ALA F 91 ? 0.0432 0.0405 0.3172 -0.0037 0.0383 -0.0267 105 ALA F CA 8009 C C . ALA F 91 ? 0.0647 0.0414 0.3594 0.0021 0.0411 -0.0258 105 ALA F C 8010 O O . ALA F 91 ? 0.0765 0.0428 0.3691 0.0064 0.0393 -0.0221 105 ALA F O 8011 C CB . ALA F 91 ? 0.0446 0.0404 0.3227 -0.0040 0.0434 -0.0261 105 ALA F CB 8012 N N . SER F 92 ? 0.0433 0.0397 0.3010 -0.0030 0.0373 -0.0211 106 SER F N 8013 C CA . SER F 92 ? 0.0430 0.0390 0.2918 -0.0023 0.0358 -0.0163 106 SER F CA 8014 C C . SER F 92 ? 0.0460 0.0392 0.3564 -0.0031 0.0505 -0.0196 106 SER F C 8015 O O . SER F 92 ? 0.0560 0.0407 0.3727 -0.0018 0.0560 -0.0256 106 SER F O 8016 C CB . SER F 92 ? 0.0426 0.0392 0.3208 -0.0024 0.0360 -0.0186 106 SER F CB 8017 O OG . SER F 92 ? 0.0866 0.0570 0.4058 -0.0058 0.0421 -0.0294 106 SER F OG 8018 N N . SER F 93 ? 0.0450 0.0385 0.3039 -0.0018 0.0432 -0.0113 107 SER F N 8019 C CA . SER F 93 ? 0.0468 0.0383 0.3085 -0.0018 0.0488 -0.0097 107 SER F CA 8020 C C . SER F 93 ? 0.0475 0.0382 0.3503 -0.0013 0.0545 -0.0075 107 SER F C 8021 O O . SER F 93 ? 0.0459 0.0381 0.3450 -0.0007 0.0492 -0.0042 107 SER F O 8022 C CB . SER F 93 ? 0.0500 0.0381 0.3522 -0.0013 0.0614 -0.0068 107 SER F CB 8023 O OG . SER F 93 ? 0.1473 0.0866 0.4739 0.0371 0.0637 -0.0091 107 SER F OG 8024 N N . VAL F 94 ? 0.0480 0.0382 0.3212 -0.0013 0.0531 -0.0070 108 VAL F N 8025 C CA . VAL F 94 ? 0.0479 0.0381 0.3285 -0.0008 0.0535 -0.0042 108 VAL F CA 8026 C C . VAL F 94 ? 0.0483 0.0380 0.3467 0.0006 0.0563 0.0035 108 VAL F C 8027 O O . VAL F 94 ? 0.0469 0.0382 0.3479 0.0012 0.0525 0.0070 108 VAL F O 8028 C CB . VAL F 94 ? 0.0530 0.0382 0.4015 -0.0015 0.0738 -0.0075 108 VAL F CB 8029 C CG1 . VAL F 94 ? 0.0526 0.0381 0.4120 -0.0009 0.0739 -0.0046 108 VAL F CG1 8030 C CG2 . VAL F 94 ? 0.0542 0.0388 0.4059 -0.0037 0.0772 -0.0174 108 VAL F CG2 8031 N N . ALA F 95 ? 0.0476 0.0381 0.2832 0.0010 0.0486 0.0052 109 ALA F N 8032 C CA . ALA F 95 ? 0.0477 0.0384 0.2761 0.0021 0.0480 0.0104 109 ALA F CA 8033 C C . ALA F 95 ? 0.0500 0.0386 0.3317 0.0027 0.0595 0.0131 109 ALA F C 8034 O O . ALA F 95 ? 0.0493 0.0382 0.3094 0.0017 0.0553 0.0081 109 ALA F O 8035 C CB . ALA F 95 ? 0.0505 0.0388 0.2937 0.0031 0.0566 0.0142 109 ALA F CB 8036 N N . PRO F 96 ? 0.0494 0.0390 0.3163 0.0034 0.0563 0.0168 110 PRO F N 8037 C CA . PRO F 96 ? 0.0493 0.0389 0.3163 0.0032 0.0561 0.0160 110 PRO F CA 8038 C C . PRO F 96 ? 0.0944 0.0590 0.3941 0.0327 0.0676 0.0156 110 PRO F C 8039 O O . PRO F 96 ? 0.0989 0.0637 0.3915 0.0377 0.0658 0.0148 110 PRO F O 8040 C CB . PRO F 96 ? 0.0490 0.0394 0.3292 0.0039 0.0565 0.0203 110 PRO F CB 8041 C CG . PRO F 96 ? 0.0818 0.0517 0.3834 0.0242 0.0615 0.0254 110 PRO F CG 8042 C CD . PRO F 96 ? 0.0501 0.0399 0.3334 0.0048 0.0599 0.0237 110 PRO F CD 8043 N N . GLY F 97 ? 0.0650 0.0444 0.3538 0.0119 0.0724 0.0199 111 GLY F N 8044 C CA . GLY F 97 ? 0.0716 0.0479 0.3517 0.0165 0.0778 0.0226 111 GLY F CA 8045 C C . GLY F 97 ? 0.1096 0.0713 0.4071 0.0447 0.0838 0.0139 111 GLY F C 8046 O O . GLY F 97 ? 0.0983 0.0653 0.3888 0.0363 0.0777 0.0098 111 GLY F O 8047 N N . SER F 98 ? 0.0972 0.0621 0.3831 0.0336 0.0908 0.0193 113 SER F N 8048 C CA . SER F 98 ? 0.1020 0.0651 0.3838 0.0361 0.0957 0.0170 113 SER F CA 8049 C C . SER F 98 ? 0.1425 0.0859 0.4577 0.0624 0.1035 0.0038 113 SER F C 8050 O O . SER F 98 ? 0.1597 0.0959 0.4791 0.0732 0.1122 -0.0010 113 SER F O 8051 C CB . SER F 98 ? 0.1382 0.0920 0.4323 0.0658 0.1108 0.0187 113 SER F CB 8052 O OG . SER F 98 ? 0.2190 0.1744 0.5487 0.1226 0.1189 0.0123 113 SER F OG 8053 N N . ASP F 99 ? 0.1004 0.0580 0.4060 0.0296 0.0936 0.0075 114 ASP F N 8054 C CA . ASP F 99 ? 0.0924 0.0509 0.4052 0.0203 0.0939 0.0021 114 ASP F CA 8055 C C . ASP F 99 ? 0.1171 0.0624 0.4348 0.0352 0.0934 -0.0084 114 ASP F C 8056 O O . ASP F 99 ? 0.1116 0.0637 0.4215 0.0353 0.0864 -0.0084 114 ASP F O 8057 C CB . ASP F 99 ? 0.1045 0.0545 0.4335 0.0274 0.0886 -0.0017 114 ASP F CB 8058 C CG . ASP F 99 ? 0.2777 0.1907 0.6316 0.0635 0.0950 -0.0021 114 ASP F CG 8059 O OD1 . ASP F 99 ? 0.2712 0.1871 0.6230 0.0728 0.0940 0.0035 114 ASP F OD1 8060 O OD2 . ASP F 99 ? 0.4289 0.3359 0.7914 0.0589 0.0975 -0.0030 114 ASP F OD2 8061 N N . THR F 100 ? 0.0873 0.0470 0.3967 0.0124 0.0956 -0.0078 115 THR F N 8062 C CA . THR F 100 ? 0.0784 0.0438 0.3806 0.0058 0.0928 -0.0121 115 THR F CA 8063 C C . THR F 100 ? 0.0978 0.0515 0.4101 0.0175 0.0842 -0.0215 115 THR F C 8064 O O . THR F 100 ? 0.0935 0.0480 0.4139 0.0132 0.0804 -0.0233 115 THR F O 8065 C CB . THR F 100 ? 0.1390 0.0610 0.4598 0.0322 0.1081 -0.0279 115 THR F CB 8066 O OG1 . THR F 100 ? 0.1832 0.0840 0.5095 0.0521 0.1242 -0.0282 115 THR F OG1 8067 C CG2 . THR F 100 ? 0.1070 0.0508 0.4138 0.0133 0.1033 -0.0278 115 THR F CG2 8068 N N . GLN F 101 ? 0.0554 0.0387 0.3384 -0.0035 0.0723 -0.0145 116 GLN F N 8069 C CA . GLN F 101 ? 0.0508 0.0391 0.3194 -0.0037 0.0601 -0.0175 116 GLN F CA 8070 C C . GLN F 101 ? 0.0944 0.0506 0.3972 0.0136 0.0692 -0.0337 116 GLN F C 8071 O O . GLN F 101 ? 0.0874 0.0503 0.3821 0.0105 0.0726 -0.0335 116 GLN F O 8072 C CB . GLN F 101 ? 0.0495 0.0388 0.3095 -0.0031 0.0559 -0.0151 116 GLN F CB 8073 C CG . GLN F 101 ? 0.0458 0.0382 0.2165 -0.0013 0.0372 -0.0062 116 GLN F CG 8074 C CD . GLN F 101 ? 0.0968 0.0672 0.3878 0.0334 0.0633 -0.0178 116 GLN F CD 8075 O OE1 . GLN F 101 ? 0.0854 0.0623 0.3685 0.0257 0.0582 -0.0203 116 GLN F OE1 8076 N NE2 . GLN F 101 ? 0.0478 0.0380 0.2545 -0.0007 0.0462 -0.0033 116 GLN F NE2 8077 N N . TYR F 102 ? 0.0802 0.0450 0.3866 0.0036 0.0638 -0.0357 117 TYR F N 8078 C CA . TYR F 102 ? 0.0800 0.0445 0.3847 -0.0019 0.0626 -0.0431 117 TYR F CA 8079 C C . TYR F 102 ? 0.0946 0.0563 0.3933 -0.0033 0.0537 -0.0449 117 TYR F C 8080 O O . TYR F 102 ? 0.0765 0.0431 0.3765 -0.0041 0.0481 -0.0412 117 TYR F O 8081 C CB . TYR F 102 ? 0.1012 0.0505 0.4139 -0.0069 0.0638 -0.0493 117 TYR F CB 8082 C CG . TYR F 102 ? 0.1339 0.0708 0.4523 -0.0041 0.0749 -0.0505 117 TYR F CG 8083 C CD1 . TYR F 102 ? 0.1551 0.0876 0.4810 0.0019 0.0780 -0.0451 117 TYR F CD1 8084 C CD2 . TYR F 102 ? 0.1610 0.0891 0.4765 -0.0065 0.0834 -0.0566 117 TYR F CD2 8085 C CE1 . TYR F 102 ? 0.1747 0.0949 0.5059 0.0053 0.0895 -0.0459 117 TYR F CE1 8086 C CE2 . TYR F 102 ? 0.1786 0.0931 0.4986 -0.0038 0.0957 -0.0577 117 TYR F CE2 8087 C CZ . TYR F 102 ? 0.2699 0.1807 0.5981 0.0023 0.0988 -0.0523 117 TYR F CZ 8088 O OH . TYR F 102 ? 0.2889 0.1853 0.6214 0.0059 0.1121 -0.0528 117 TYR F OH 8089 N N . PHE F 103 ? 0.0469 0.0439 0.3289 -0.0073 0.0509 -0.0415 118 PHE F N 8090 C CA . PHE F 103 ? 0.0447 0.0442 0.3132 -0.0064 0.0430 -0.0412 118 PHE F CA 8091 C C . PHE F 103 ? 0.0860 0.0651 0.3708 -0.0155 0.0403 -0.0516 118 PHE F C 8092 O O . PHE F 103 ? 0.0792 0.0567 0.3666 -0.0202 0.0424 -0.0569 118 PHE F O 8093 C CB . PHE F 103 ? 0.0496 0.0449 0.3267 -0.0068 0.0471 -0.0445 118 PHE F CB 8094 C CG . PHE F 103 ? 0.0645 0.0469 0.3386 0.0006 0.0495 -0.0420 118 PHE F CG 8095 C CD1 . PHE F 103 ? 0.0986 0.0706 0.3768 0.0105 0.0578 -0.0412 118 PHE F CD1 8096 C CD2 . PHE F 103 ? 0.0769 0.0614 0.3465 0.0027 0.0453 -0.0411 118 PHE F CD2 8097 C CE1 . PHE F 103 ? 0.0973 0.0742 0.3738 0.0179 0.0599 -0.0369 118 PHE F CE1 8098 C CE2 . PHE F 103 ? 0.1031 0.0918 0.3708 0.0084 0.0475 -0.0378 118 PHE F CE2 8099 C CZ . PHE F 103 ? 0.0777 0.0638 0.3489 0.0163 0.0544 -0.0356 118 PHE F CZ 8100 N N . GLY F 104 ? 0.0511 0.0478 0.3294 -0.0100 0.0348 -0.0474 119 GLY F N 8101 C CA . GLY F 104 ? 0.0526 0.0528 0.3263 -0.0136 0.0296 -0.0498 119 GLY F CA 8102 C C . GLY F 104 ? 0.1040 0.1018 0.3767 -0.0236 0.0276 -0.0544 119 GLY F C 8103 O O . GLY F 104 ? 0.0892 0.0828 0.3580 -0.0203 0.0308 -0.0546 119 GLY F O 8104 N N . PRO F 105 ? 0.0782 0.0846 0.3488 -0.0275 0.0231 -0.0566 120 PRO F N 8105 C CA . PRO F 105 ? 0.0809 0.0898 0.3448 -0.0285 0.0221 -0.0599 120 PRO F CA 8106 C C . PRO F 105 ? 0.1439 0.1541 0.4011 -0.0255 0.0205 -0.0558 120 PRO F C 8107 O O . PRO F 105 ? 0.1318 0.1437 0.3835 -0.0255 0.0201 -0.0577 120 PRO F O 8108 C CB . PRO F 105 ? 0.1002 0.1194 0.3651 -0.0333 0.0181 -0.0635 120 PRO F CB 8109 C CG . PRO F 105 ? 0.1508 0.1759 0.4201 -0.0329 0.0159 -0.0590 120 PRO F CG 8110 C CD . PRO F 105 ? 0.0939 0.1100 0.3683 -0.0307 0.0194 -0.0562 120 PRO F CD 8111 N N . GLY F 106 ? 0.1135 0.1223 0.3708 -0.0234 0.0203 -0.0506 121 GLY F N 8112 C CA . GLY F 106 ? 0.1103 0.1191 0.3611 -0.0221 0.0200 -0.0476 121 GLY F CA 8113 C C . GLY F 106 ? 0.1590 0.1727 0.4053 -0.0233 0.0175 -0.0459 121 GLY F C 8114 O O . GLY F 106 ? 0.1651 0.1852 0.4125 -0.0246 0.0152 -0.0475 121 GLY F O 8115 N N . THR F 107 ? 0.1027 0.1134 0.3436 -0.0229 0.0189 -0.0425 122 THR F N 8116 C CA . THR F 107 ? 0.0946 0.1073 0.3297 -0.0233 0.0189 -0.0403 122 THR F CA 8117 C C . THR F 107 ? 0.1341 0.1467 0.3635 -0.0250 0.0199 -0.0420 122 THR F C 8118 O O . THR F 107 ? 0.1234 0.1326 0.3510 -0.0258 0.0220 -0.0418 122 THR F O 8119 C CB . THR F 107 ? 0.1286 0.1358 0.3611 -0.0219 0.0216 -0.0347 122 THR F CB 8120 O OG1 . THR F 107 ? 0.1073 0.1178 0.3453 -0.0200 0.0204 -0.0325 122 THR F OG1 8121 C CG2 . THR F 107 ? 0.0513 0.0563 0.2692 -0.0156 0.0242 -0.0319 122 THR F CG2 8122 N N . ARG F 108 ? 0.0895 0.1073 0.3160 -0.0255 0.0184 -0.0436 123 ARG F N 8123 C CA . ARG F 108 ? 0.0796 0.0988 0.3007 -0.0272 0.0193 -0.0447 123 ARG F CA 8124 C C . ARG F 108 ? 0.1160 0.1315 0.3310 -0.0286 0.0225 -0.0419 123 ARG F C 8125 O O . ARG F 108 ? 0.1103 0.1270 0.3238 -0.0267 0.0229 -0.0399 123 ARG F O 8126 C CB . ARG F 108 ? 0.0856 0.1112 0.3062 -0.0265 0.0167 -0.0476 123 ARG F CB 8127 C CG . ARG F 108 ? 0.1795 0.2083 0.3954 -0.0280 0.0177 -0.0483 123 ARG F CG 8128 C CD . ARG F 108 ? 0.2961 0.3302 0.5098 -0.0266 0.0156 -0.0497 123 ARG F CD 8129 N NE . ARG F 108 ? 0.3820 0.4205 0.5910 -0.0281 0.0167 -0.0494 123 ARG F NE 8130 C CZ . ARG F 108 ? 0.5207 0.5637 0.7264 -0.0273 0.0156 -0.0494 123 ARG F CZ 8131 N NH1 . ARG F 108 ? 0.3527 0.3961 0.5588 -0.0247 0.0133 -0.0501 123 ARG F NH1 8132 N NH2 . ARG F 108 ? 0.3625 0.4108 0.5643 -0.0290 0.0168 -0.0488 123 ARG F NH2 8133 N N . LEU F 109 ? 0.0733 0.0847 0.2844 -0.0318 0.0258 -0.0418 124 LEU F N 8134 C CA . LEU F 109 ? 0.0774 0.0823 0.2816 -0.0345 0.0308 -0.0400 124 LEU F CA 8135 C C . LEU F 109 ? 0.1403 0.1495 0.3400 -0.0385 0.0320 -0.0425 124 LEU F C 8136 O O . LEU F 109 ? 0.1327 0.1483 0.3327 -0.0413 0.0307 -0.0453 124 LEU F O 8137 C CB . LEU F 109 ? 0.0749 0.0716 0.2750 -0.0352 0.0348 -0.0391 124 LEU F CB 8138 C CG . LEU F 109 ? 0.1276 0.1141 0.3203 -0.0413 0.0419 -0.0382 124 LEU F CG 8139 C CD1 . LEU F 109 ? 0.1311 0.1104 0.3203 -0.0371 0.0461 -0.0331 124 LEU F CD1 8140 C CD2 . LEU F 109 ? 0.1433 0.1226 0.3331 -0.0449 0.0453 -0.0390 124 LEU F CD2 8141 N N . THR F 110 ? 0.1119 0.1183 0.3071 -0.0383 0.0351 -0.0408 125 THR F N 8142 C CA . THR F 110 ? 0.1122 0.1211 0.3028 -0.0426 0.0375 -0.0427 125 THR F CA 8143 C C . THR F 110 ? 0.1558 0.1525 0.3389 -0.0461 0.0461 -0.0411 125 THR F C 8144 O O . THR F 110 ? 0.1459 0.1355 0.3265 -0.0416 0.0502 -0.0369 125 THR F O 8145 C CB . THR F 110 ? 0.2382 0.2552 0.4301 -0.0389 0.0340 -0.0426 125 THR F CB 8146 O OG1 . THR F 110 ? 0.3077 0.3337 0.5044 -0.0374 0.0280 -0.0448 125 THR F OG1 8147 C CG2 . THR F 110 ? 0.1976 0.2160 0.3846 -0.0429 0.0375 -0.0434 125 THR F CG2 8148 N N . VAL F 111 ? 0.1263 0.1214 0.3053 -0.0541 0.0497 -0.0445 126 VAL F N 8149 C CA . VAL F 111 ? 0.1416 0.1237 0.3121 -0.0600 0.0594 -0.0449 126 VAL F CA 8150 C C . VAL F 111 ? 0.1973 0.1835 0.3647 -0.0648 0.0622 -0.0471 126 VAL F C 8151 O O . VAL F 111 ? 0.1791 0.1787 0.3490 -0.0689 0.0577 -0.0508 126 VAL F O 8152 C CB . VAL F 111 ? 0.1893 0.1668 0.3567 -0.0672 0.0622 -0.0482 126 VAL F CB 8153 C CG1 . VAL F 111 ? 0.1986 0.1591 0.3554 -0.0739 0.0739 -0.0489 126 VAL F CG1 8154 C CG2 . VAL F 111 ? 0.1803 0.1554 0.3520 -0.0615 0.0585 -0.0456 126 VAL F CG2 8155 N N . LEU F 112 ? 0.1785 0.1537 0.3403 -0.0633 0.0700 -0.0443 127 LEU F N 8156 C CA . LEU F 112 ? 0.1906 0.1672 0.3492 -0.0673 0.0742 -0.0458 127 LEU F CA 8157 C C . LEU F 112 ? 0.3153 0.2746 0.4640 -0.0751 0.0876 -0.0471 127 LEU F C 8158 O O . LEU F 112 ? 0.3046 0.2487 0.4480 -0.0741 0.0943 -0.0448 127 LEU F O 8159 C CB . LEU F 112 ? 0.1836 0.1636 0.3447 -0.0573 0.0725 -0.0410 127 LEU F CB 8160 C CG . LEU F 112 ? 0.2231 0.2186 0.3925 -0.0503 0.0606 -0.0404 127 LEU F CG 8161 C CD1 . LEU F 112 ? 0.2271 0.2244 0.3976 -0.0404 0.0603 -0.0357 127 LEU F CD1 8162 C CD2 . LEU F 112 ? 0.2219 0.2317 0.3943 -0.0549 0.0545 -0.0444 127 LEU F CD2 8163 N N . GLU F 113 ? 0.3472 0.3082 0.4929 -0.0832 0.0922 -0.0509 128 GLU F N 8164 C CA . GLU F 113 ? 0.3927 0.3355 0.5282 -0.0919 0.1066 -0.0531 128 GLU F CA 8165 C C . GLU F 113 ? 0.5035 0.4310 0.6340 -0.0829 0.1167 -0.0463 128 GLU F C 8166 O O . GLU F 113 ? 0.5090 0.4155 0.6300 -0.0838 0.1298 -0.0443 128 GLU F O 8167 C CB . GLU F 113 ? 0.4165 0.3677 0.5505 -0.1058 0.1086 -0.0606 128 GLU F CB 8168 C CG . GLU F 113 ? 0.5805 0.5291 0.7099 -0.1184 0.1116 -0.0675 128 GLU F CG 8169 C CD . GLU F 113 ? 0.8858 0.8581 1.0194 -0.1288 0.1043 -0.0747 128 GLU F CD 8170 O OE1 . GLU F 113 ? 0.8923 0.8819 1.0310 -0.1284 0.0987 -0.0748 128 GLU F OE1 8171 O OE2 . GLU F 113 ? 0.7934 0.7674 0.9243 -0.1370 0.1047 -0.0800 128 GLU F OE2 8172 N N . ASP F 114 ? 0.4889 0.4273 0.6252 -0.0731 0.1109 -0.0420 129 ASP F N 8173 C CA . ASP F 114 ? 0.5093 0.4383 0.6422 -0.0620 0.1191 -0.0348 129 ASP F CA 8174 C C . ASP F 114 ? 0.5366 0.4817 0.6779 -0.0489 0.1074 -0.0301 129 ASP F C 8175 O O . ASP F 114 ? 0.5197 0.4818 0.6684 -0.0493 0.0962 -0.0328 129 ASP F O 8176 C CB . ASP F 114 ? 0.5542 0.4758 0.6820 -0.0663 0.1301 -0.0357 129 ASP F CB 8177 C CG . ASP F 114 ? 0.7494 0.6892 0.8840 -0.0694 0.1215 -0.0389 129 ASP F CG 8178 O OD1 . ASP F 114 ? 0.7623 0.7145 0.9005 -0.0795 0.1138 -0.0453 129 ASP F OD1 8179 O OD2 . ASP F 114 ? 0.8513 0.7930 0.9868 -0.0615 0.1237 -0.0348 129 ASP F OD2 8180 N N . LEU F 115 ? 0.4790 0.4193 0.6187 -0.0373 0.1108 -0.0230 130 LEU F N 8181 C CA . LEU F 115 ? 0.4570 0.4127 0.6036 -0.0251 0.1013 -0.0188 130 LEU F CA 8182 C C . LEU F 115 ? 0.4961 0.4586 0.6435 -0.0177 0.1027 -0.0160 130 LEU F C 8183 O O . LEU F 115 ? 0.4831 0.4607 0.6363 -0.0090 0.0940 -0.0140 130 LEU F O 8184 C CB . LEU F 115 ? 0.4596 0.4107 0.6037 -0.0158 0.1052 -0.0121 130 LEU F CB 8185 C CG . LEU F 115 ? 0.5172 0.4596 0.6596 -0.0214 0.1052 -0.0135 130 LEU F CG 8186 C CD1 . LEU F 115 ? 0.5283 0.4660 0.6669 -0.0111 0.1111 -0.0053 130 LEU F CD1 8187 C CD2 . LEU F 115 ? 0.5279 0.4842 0.6799 -0.0262 0.0903 -0.0192 130 LEU F CD2 8188 N N . LYS F 116 ? 0.4535 0.4054 0.5952 -0.0220 0.1135 -0.0165 131 LYS F N 8189 C CA . LYS F 116 ? 0.4516 0.4079 0.5936 -0.0155 0.1165 -0.0136 131 LYS F CA 8190 C C . LYS F 116 ? 0.4873 0.4626 0.6376 -0.0166 0.1021 -0.0174 131 LYS F C 8191 O O . LYS F 116 ? 0.4950 0.4772 0.6468 -0.0091 0.1016 -0.0146 131 LYS F O 8192 C CB . LYS F 116 ? 0.4982 0.4370 0.6323 -0.0226 0.1320 -0.0145 131 LYS F CB 8193 N N . ASN F 117 ? 0.4120 0.3953 0.5670 -0.0249 0.0913 -0.0232 132 ASN F N 8194 C CA . ASN F 117 ? 0.3852 0.3850 0.5465 -0.0260 0.0787 -0.0264 132 ASN F CA 8195 C C . ASN F 117 ? 0.3816 0.3932 0.5487 -0.0180 0.0673 -0.0256 132 ASN F C 8196 O O . ASN F 117 ? 0.3673 0.3908 0.5385 -0.0176 0.0577 -0.0278 132 ASN F O 8197 C CB . ASN F 117 ? 0.4316 0.4341 0.5937 -0.0393 0.0754 -0.0327 132 ASN F CB 8198 C CG . ASN F 117 ? 0.8207 0.8223 0.9799 -0.0486 0.0813 -0.0354 132 ASN F CG 8199 O OD1 . ASN F 117 ? 0.7322 0.7397 0.8918 -0.0593 0.0790 -0.0404 132 ASN F OD1 8200 N ND2 . ASN F 117 ? 0.7401 0.7362 0.8965 -0.0448 0.0893 -0.0322 132 ASN F ND2 8201 N N . VAL F 118 ? 0.3014 0.3097 0.4681 -0.0120 0.0692 -0.0224 133 VAL F N 8202 C CA . VAL F 118 ? 0.2628 0.2824 0.4348 -0.0059 0.0597 -0.0222 133 VAL F CA 8203 C C . VAL F 118 ? 0.2730 0.3031 0.4461 0.0051 0.0580 -0.0189 133 VAL F C 8204 O O . VAL F 118 ? 0.2806 0.3072 0.4497 0.0124 0.0668 -0.0135 133 VAL F O 8205 C CB . VAL F 118 ? 0.3061 0.3202 0.4775 -0.0048 0.0622 -0.0202 133 VAL F CB 8206 C CG1 . VAL F 118 ? 0.2905 0.3178 0.4681 0.0001 0.0525 -0.0208 133 VAL F CG1 8207 C CG2 . VAL F 118 ? 0.3033 0.3070 0.4732 -0.0153 0.0640 -0.0236 133 VAL F CG2 8208 N N . PHE F 119 ? 0.1939 0.2365 0.3714 0.0066 0.0476 -0.0219 134 PHE F N 8209 C CA . PHE F 119 ? 0.1792 0.2336 0.3577 0.0163 0.0445 -0.0200 134 PHE F CA 8210 C C . PHE F 119 ? 0.2108 0.2776 0.3940 0.0178 0.0341 -0.0237 134 PHE F C 8211 O O . PHE F 119 ? 0.1823 0.2484 0.3679 0.0110 0.0280 -0.0284 134 PHE F O 8212 C CB . PHE F 119 ? 0.1953 0.2513 0.3727 0.0164 0.0436 -0.0204 134 PHE F CB 8213 C CG . PHE F 119 ? 0.2148 0.2605 0.3878 0.0156 0.0544 -0.0171 134 PHE F CG 8214 C CD1 . PHE F 119 ? 0.2546 0.3007 0.4251 0.0256 0.0618 -0.0116 134 PHE F CD1 8215 C CD2 . PHE F 119 ? 0.2391 0.2759 0.4105 0.0047 0.0576 -0.0197 134 PHE F CD2 8216 C CE1 . PHE F 119 ? 0.2730 0.3076 0.4391 0.0244 0.0732 -0.0087 134 PHE F CE1 8217 C CE2 . PHE F 119 ? 0.2816 0.3086 0.4489 0.0022 0.0684 -0.0177 134 PHE F CE2 8218 C CZ . PHE F 119 ? 0.2627 0.2872 0.4273 0.0119 0.0765 -0.0123 134 PHE F CZ 8219 N N . PRO F 120 ? 0.1767 0.2559 0.3610 0.0265 0.0326 -0.0218 135 PRO F N 8220 C CA . PRO F 120 ? 0.1647 0.2560 0.3530 0.0261 0.0232 -0.0268 135 PRO F CA 8221 C C . PRO F 120 ? 0.2103 0.3058 0.3981 0.0261 0.0171 -0.0305 135 PRO F C 8222 O O . PRO F 120 ? 0.2015 0.2941 0.3865 0.0289 0.0199 -0.0280 135 PRO F O 8223 C CB . PRO F 120 ? 0.1897 0.2952 0.3785 0.0352 0.0247 -0.0233 135 PRO F CB 8224 C CG . PRO F 120 ? 0.2591 0.3626 0.4435 0.0437 0.0334 -0.0166 135 PRO F CG 8225 C CD . PRO F 120 ? 0.2074 0.2914 0.3887 0.0372 0.0400 -0.0153 135 PRO F CD 8226 N N . PRO F 121 ? 0.1668 0.2682 0.3567 0.0232 0.0095 -0.0364 136 PRO F N 8227 C CA . PRO F 121 ? 0.1644 0.2678 0.3521 0.0239 0.0050 -0.0393 136 PRO F CA 8228 C C . PRO F 121 ? 0.2364 0.3532 0.4228 0.0324 0.0030 -0.0390 136 PRO F C 8229 O O . PRO F 121 ? 0.2202 0.3494 0.4084 0.0367 0.0028 -0.0388 136 PRO F O 8230 C CB . PRO F 121 ? 0.1836 0.2854 0.3730 0.0172 -0.0002 -0.0459 136 PRO F CB 8231 C CG . PRO F 121 ? 0.2409 0.3482 0.4344 0.0157 -0.0004 -0.0472 136 PRO F CG 8232 C CD . PRO F 121 ? 0.1848 0.2901 0.3786 0.0189 0.0058 -0.0407 136 PRO F CD 8233 N N . GLU F 122 ? 0.2241 0.3400 0.4070 0.0351 0.0013 -0.0389 137 GLU F N 8234 C CA . GLU F 122 ? 0.2310 0.3587 0.4118 0.0425 -0.0018 -0.0399 137 GLU F CA 8235 C C . GLU F 122 ? 0.2654 0.3924 0.4446 0.0371 -0.0079 -0.0474 137 GLU F C 8236 O O . GLU F 122 ? 0.2450 0.3600 0.4224 0.0314 -0.0081 -0.0486 137 GLU F O 8237 C CB . GLU F 122 ? 0.2553 0.3809 0.4328 0.0494 0.0010 -0.0345 137 GLU F CB 8238 C CG . GLU F 122 ? 0.4527 0.5754 0.6310 0.0540 0.0093 -0.0273 137 GLU F CG 8239 C CD . GLU F 122 ? 0.8821 0.9941 1.0582 0.0529 0.0133 -0.0235 137 GLU F CD 8240 O OE1 . GLU F 122 ? 0.9793 1.0946 1.1535 0.0610 0.0154 -0.0195 137 GLU F OE1 8241 O OE2 . GLU F 122 ? 0.8209 0.9226 0.9972 0.0440 0.0143 -0.0245 137 GLU F OE2 8242 N N . VAL F 123 ? 0.2259 0.3657 0.4053 0.0381 -0.0118 -0.0527 138 VAL F N 8243 C CA . VAL F 123 ? 0.2250 0.3628 0.4021 0.0318 -0.0160 -0.0611 138 VAL F CA 8244 C C . VAL F 123 ? 0.2891 0.4348 0.4608 0.0372 -0.0191 -0.0638 138 VAL F C 8245 O O . VAL F 123 ? 0.2859 0.4481 0.4585 0.0443 -0.0200 -0.0627 138 VAL F O 8246 C CB . VAL F 123 ? 0.2716 0.4165 0.4534 0.0250 -0.0177 -0.0672 138 VAL F CB 8247 C CG1 . VAL F 123 ? 0.2741 0.4125 0.4529 0.0170 -0.0200 -0.0762 138 VAL F CG1 8248 C CG2 . VAL F 123 ? 0.2636 0.4012 0.4504 0.0211 -0.0145 -0.0635 138 VAL F CG2 8249 N N . ALA F 124 ? 0.2634 0.3978 0.4290 0.0345 -0.0201 -0.0670 139 ALA F N 8250 C CA . ALA F 124 ? 0.2709 0.4089 0.4296 0.0388 -0.0226 -0.0700 139 ALA F CA 8251 C C . ALA F 124 ? 0.3295 0.4578 0.4826 0.0310 -0.0232 -0.0787 139 ALA F C 8252 O O . ALA F 124 ? 0.3233 0.4367 0.4756 0.0250 -0.0205 -0.0791 139 ALA F O 8253 C CB . ALA F 124 ? 0.2781 0.4091 0.4325 0.0464 -0.0210 -0.0623 139 ALA F CB 8254 N N . VAL F 125 ? 0.2918 0.4285 0.4402 0.0311 -0.0258 -0.0858 140 VAL F N 8255 C CA . VAL F 125 ? 0.2941 0.4203 0.4353 0.0234 -0.0250 -0.0950 140 VAL F CA 8256 C C . VAL F 125 ? 0.3305 0.4494 0.4607 0.0297 -0.0247 -0.0939 140 VAL F C 8257 O O . VAL F 125 ? 0.3356 0.4672 0.4648 0.0382 -0.0276 -0.0913 140 VAL F O 8258 C CB . VAL F 125 ? 0.3509 0.4919 0.4949 0.0155 -0.0274 -0.1062 140 VAL F CB 8259 C CG1 . VAL F 125 ? 0.3643 0.4971 0.4982 0.0090 -0.0262 -0.1168 140 VAL F CG1 8260 C CG2 . VAL F 125 ? 0.3458 0.4856 0.4981 0.0073 -0.0260 -0.1078 140 VAL F CG2 8261 N N . PHE F 126 ? 0.2654 0.3636 0.3870 0.0268 -0.0205 -0.0947 141 PHE F N 8262 C CA . PHE F 126 ? 0.2617 0.3495 0.3712 0.0327 -0.0189 -0.0927 141 PHE F CA 8263 C C . PHE F 126 ? 0.3253 0.4033 0.4250 0.0251 -0.0162 -0.1041 141 PHE F C 8264 O O . PHE F 126 ? 0.3204 0.3852 0.4189 0.0164 -0.0115 -0.1090 141 PHE F O 8265 C CB . PHE F 126 ? 0.2756 0.3484 0.3818 0.0372 -0.0149 -0.0823 141 PHE F CB 8266 C CG . PHE F 126 ? 0.2735 0.3566 0.3889 0.0433 -0.0172 -0.0725 141 PHE F CG 8267 C CD1 . PHE F 126 ? 0.2898 0.3757 0.4153 0.0387 -0.0167 -0.0707 141 PHE F CD1 8268 C CD2 . PHE F 126 ? 0.2958 0.3853 0.4094 0.0533 -0.0190 -0.0656 141 PHE F CD2 8269 C CE1 . PHE F 126 ? 0.2867 0.3801 0.4193 0.0433 -0.0174 -0.0626 141 PHE F CE1 8270 C CE2 . PHE F 126 ? 0.3178 0.4152 0.4394 0.0579 -0.0196 -0.0574 141 PHE F CE2 8271 C CZ . PHE F 126 ? 0.2799 0.3786 0.4105 0.0525 -0.0184 -0.0562 141 PHE F CZ 8272 N N . GLU F 127 ? 0.2899 0.3754 0.3829 0.0279 -0.0188 -0.1090 142 GLU F N 8273 C CA . GLU F 127 ? 0.3070 0.3853 0.3899 0.0199 -0.0162 -0.1215 142 GLU F CA 8274 C C . GLU F 127 ? 0.3797 0.4292 0.4477 0.0206 -0.0081 -0.1195 142 GLU F C 8275 O O . GLU F 127 ? 0.3790 0.4207 0.4433 0.0305 -0.0068 -0.1079 142 GLU F O 8276 C CB . GLU F 127 ? 0.3276 0.4253 0.4078 0.0233 -0.0217 -0.1272 142 GLU F CB 8277 C CG . GLU F 127 ? 0.4350 0.5626 0.5287 0.0220 -0.0280 -0.1301 142 GLU F CG 8278 C CD . GLU F 127 ? 0.7398 0.8925 0.8324 0.0261 -0.0335 -0.1356 142 GLU F CD 8279 O OE1 . GLU F 127 ? 0.7697 0.9178 0.8507 0.0229 -0.0326 -0.1445 142 GLU F OE1 8280 O OE2 . GLU F 127 ? 0.6535 0.8312 0.7565 0.0325 -0.0380 -0.1312 142 GLU F OE2 8281 N N . PRO F 128 ? 0.3440 0.3775 0.4033 0.0101 -0.0016 -0.1303 143 PRO F N 8282 C CA . PRO F 128 ? 0.3527 0.3570 0.3967 0.0116 0.0085 -0.1277 143 PRO F CA 8283 C C . PRO F 128 ? 0.4073 0.4036 0.4368 0.0218 0.0097 -0.1228 143 PRO F C 8284 O O . PRO F 128 ? 0.4028 0.4134 0.4309 0.0248 0.0036 -0.1264 143 PRO F O 8285 C CB . PRO F 128 ? 0.3943 0.3858 0.4320 -0.0026 0.0154 -0.1425 143 PRO F CB 8286 C CG . PRO F 128 ? 0.4407 0.4536 0.4944 -0.0118 0.0093 -0.1497 143 PRO F CG 8287 C CD . PRO F 128 ? 0.3712 0.4123 0.4344 -0.0038 -0.0018 -0.1450 143 PRO F CD 8288 N N . SER F 129 ? 0.3662 0.3401 0.3843 0.0279 0.0181 -0.1141 144 SER F N 8289 C CA . SER F 129 ? 0.3660 0.3273 0.3680 0.0381 0.0216 -0.1076 144 SER F CA 8290 C C . SER F 129 ? 0.4366 0.3821 0.4223 0.0314 0.0278 -0.1204 144 SER F C 8291 O O . SER F 129 ? 0.4306 0.3613 0.4122 0.0201 0.0358 -0.1302 144 SER F O 8292 C CB . SER F 129 ? 0.3948 0.3384 0.3895 0.0458 0.0302 -0.0945 144 SER F CB 8293 O OG . SER F 129 ? 0.5184 0.4493 0.4965 0.0565 0.0347 -0.0870 144 SER F OG 8294 N N . GLU F 130 ? 0.4154 0.3635 0.3914 0.0380 0.0249 -0.1206 145 GLU F N 8295 C CA . GLU F 130 ? 0.4496 0.3817 0.4080 0.0319 0.0312 -0.1328 145 GLU F CA 8296 C C . GLU F 130 ? 0.5198 0.4168 0.4578 0.0357 0.0461 -0.1273 145 GLU F C 8297 O O . GLU F 130 ? 0.5468 0.4220 0.4700 0.0267 0.0563 -0.1385 145 GLU F O 8298 C CB . GLU F 130 ? 0.4725 0.4195 0.4268 0.0386 0.0233 -0.1347 145 GLU F CB 8299 C CG . GLU F 130 ? 0.6327 0.6060 0.5970 0.0285 0.0146 -0.1497 145 GLU F CG 8300 C CD . GLU F 130 ? 0.9640 0.9280 0.9219 0.0104 0.0210 -0.1683 145 GLU F CD 8301 O OE1 . GLU F 130 ? 0.8345 0.7695 0.7726 0.0067 0.0322 -0.1736 145 GLU F OE1 8302 O OE2 . GLU F 130 ? 0.9539 0.9393 0.9262 -0.0001 0.0154 -0.1777 145 GLU F OE2 8303 N N . ALA F 131 ? 0.4610 0.3533 0.3984 0.0487 0.0483 -0.1099 146 ALA F N 8304 C CA . ALA F 131 ? 0.4728 0.3364 0.3923 0.0557 0.0625 -0.1005 146 ALA F CA 8305 C C . ALA F 131 ? 0.5232 0.3692 0.4420 0.0459 0.0738 -0.1057 146 ALA F C 8306 O O . ALA F 131 ? 0.5508 0.3674 0.4506 0.0462 0.0890 -0.1060 146 ALA F O 8307 C CB . ALA F 131 ? 0.4624 0.3348 0.3859 0.0708 0.0596 -0.0810 146 ALA F CB 8308 N N . GLU F 132 ? 0.4406 0.3039 0.3796 0.0379 0.0672 -0.1093 147 GLU F N 8309 C CA . GLU F 132 ? 0.4395 0.2907 0.3818 0.0285 0.0760 -0.1143 147 GLU F CA 8310 C C . GLU F 132 ? 0.5319 0.3705 0.4676 0.0128 0.0818 -0.1335 147 GLU F C 8311 O O . GLU F 132 ? 0.5426 0.3546 0.4670 0.0077 0.0967 -0.1374 147 GLU F O 8312 C CB . GLU F 132 ? 0.4226 0.2983 0.3888 0.0257 0.0657 -0.1118 147 GLU F CB 8313 C CG . GLU F 132 ? 0.5195 0.3838 0.4902 0.0180 0.0745 -0.1149 147 GLU F CG 8314 C CD . GLU F 132 ? 0.6368 0.5225 0.6294 0.0089 0.0649 -0.1203 147 GLU F CD 8315 O OE1 . GLU F 132 ? 0.4843 0.3617 0.4815 0.0043 0.0716 -0.1210 147 GLU F OE1 8316 O OE2 . GLU F 132 ? 0.5063 0.4168 0.5109 0.0073 0.0516 -0.1232 147 GLU F OE2 8317 N N . ILE F 133 ? 0.5078 0.3667 0.4506 0.0050 0.0705 -0.1453 148 ILE F N 8318 C CA . ILE F 133 ? 0.5332 0.3881 0.4714 -0.0114 0.0734 -0.1651 148 ILE F CA 8319 C C . ILE F 133 ? 0.6266 0.4477 0.5381 -0.0119 0.0884 -0.1697 148 ILE F C 8320 O O . ILE F 133 ? 0.6417 0.4409 0.5442 -0.0244 0.1010 -0.1815 148 ILE F O 8321 C CB . ILE F 133 ? 0.5581 0.4476 0.5086 -0.0153 0.0571 -0.1734 148 ILE F CB 8322 C CG1 . ILE F 133 ? 0.5366 0.4547 0.5117 -0.0197 0.0464 -0.1733 148 ILE F CG1 8323 C CG2 . ILE F 133 ? 0.5873 0.4743 0.5272 -0.0294 0.0598 -0.1930 148 ILE F CG2 8324 C CD1 . ILE F 133 ? 0.6128 0.5679 0.6023 -0.0143 0.0300 -0.1714 148 ILE F CD1 8325 N N . SER F 134 ? 0.6050 0.4205 0.5035 0.0017 0.0882 -0.1600 149 SER F N 8326 C CA . SER F 134 ? 0.6482 0.4307 0.5196 0.0031 0.1028 -0.1627 149 SER F CA 8327 C C . SER F 134 ? 0.7163 0.4637 0.5733 0.0070 0.1224 -0.1548 149 SER F C 8328 O O . SER F 134 ? 0.7458 0.4624 0.5840 -0.0008 0.1384 -0.1644 149 SER F O 8329 C CB . SER F 134 ? 0.7025 0.4894 0.5644 0.0188 0.0972 -0.1519 149 SER F CB 8330 O OG . SER F 134 ? 0.8205 0.6095 0.6855 0.0357 0.0965 -0.1310 149 SER F OG 8331 N N . HIS F 135 ? 0.6496 0.4024 0.5154 0.0190 0.1218 -0.1377 150 HIS F N 8332 C CA . HIS F 135 ? 0.6617 0.3868 0.5149 0.0264 0.1397 -0.1270 150 HIS F CA 8333 C C . HIS F 135 ? 0.7107 0.4244 0.5701 0.0140 0.1494 -0.1357 150 HIS F C 8334 O O . HIS F 135 ? 0.7398 0.4201 0.5811 0.0139 0.1693 -0.1360 150 HIS F O 8335 C CB . HIS F 135 ? 0.6477 0.3879 0.5083 0.0441 0.1345 -0.1055 150 HIS F CB 8336 C CG . HIS F 135 ? 0.7091 0.4254 0.5553 0.0551 0.1526 -0.0920 150 HIS F CG 8337 N ND1 . HIS F 135 ? 0.7652 0.4512 0.5842 0.0637 0.1691 -0.0866 150 HIS F ND1 8338 C CD2 . HIS F 135 ? 0.7210 0.4415 0.5763 0.0595 0.1568 -0.0825 150 HIS F CD2 8339 C CE1 . HIS F 135 ? 0.7642 0.4375 0.5765 0.0737 0.1832 -0.0736 150 HIS F CE1 8340 N NE2 . HIS F 135 ? 0.7416 0.4358 0.5754 0.0716 0.1760 -0.0708 150 HIS F NE2 8341 N N . THR F 136 ? 0.6293 0.3689 0.5130 0.0046 0.1368 -0.1418 151 THR F N 8342 C CA . THR F 136 ? 0.6280 0.3585 0.5192 -0.0058 0.1452 -0.1483 151 THR F CA 8343 C C . THR F 136 ? 0.6730 0.4101 0.5727 -0.0269 0.1414 -0.1698 151 THR F C 8344 O O . THR F 136 ? 0.6724 0.3983 0.5762 -0.0368 0.1504 -0.1766 151 THR F O 8345 C CB . THR F 136 ? 0.6934 0.4461 0.6055 0.0010 0.1366 -0.1359 151 THR F CB 8346 O OG1 . THR F 136 ? 0.6533 0.4417 0.5859 -0.0018 0.1157 -0.1381 151 THR F OG1 8347 C CG2 . THR F 136 ? 0.6482 0.3955 0.5524 0.0203 0.1426 -0.1152 151 THR F CG2 8348 N N . GLN F 137 ? 0.6208 0.3780 0.5237 -0.0334 0.1283 -0.1801 152 GLN F N 8349 C CA . GLN F 137 ? 0.6186 0.3908 0.5307 -0.0529 0.1220 -0.2002 152 GLN F CA 8350 C C . GLN F 137 ? 0.6312 0.4289 0.5692 -0.0589 0.1120 -0.2007 152 GLN F C 8351 O O . GLN F 137 ? 0.6294 0.4350 0.5755 -0.0755 0.1109 -0.2159 152 GLN F O 8352 C CB . GLN F 137 ? 0.6742 0.4144 0.5679 -0.0682 0.1399 -0.2169 152 GLN F CB 8353 C CG . GLN F 137 ? 0.8151 0.5444 0.6881 -0.0697 0.1428 -0.2250 152 GLN F CG 8354 C CD . GLN F 137 ? 0.9750 0.7416 0.8589 -0.0758 0.1238 -0.2351 152 GLN F CD 8355 O OE1 . GLN F 137 ? 0.9256 0.7122 0.8214 -0.0925 0.1177 -0.2508 152 GLN F OE1 8356 N NE2 . GLN F 137 ? 0.7943 0.5724 0.6742 -0.0617 0.1145 -0.2257 152 GLN F NE2 8357 N N . LYS F 138 ? 0.5508 0.3623 0.5010 -0.0451 0.1043 -0.1839 153 LYS F N 8358 C CA . LYS F 138 ? 0.5162 0.3516 0.4896 -0.0467 0.0942 -0.1805 153 LYS F CA 8359 C C . LYS F 138 ? 0.5331 0.3996 0.5186 -0.0362 0.0768 -0.1708 153 LYS F C 8360 O O . LYS F 138 ? 0.5298 0.3934 0.5057 -0.0237 0.0757 -0.1612 153 LYS F O 8361 C CB . LYS F 138 ? 0.5362 0.3546 0.5111 -0.0406 0.1048 -0.1696 153 LYS F CB 8362 C CG . LYS F 138 ? 0.6302 0.4175 0.5944 -0.0509 0.1234 -0.1791 153 LYS F CG 8363 C CD . LYS F 138 ? 0.6723 0.4440 0.6372 -0.0424 0.1346 -0.1671 153 LYS F CD 8364 C CE . LYS F 138 ? 0.7259 0.4611 0.6754 -0.0488 0.1567 -0.1741 153 LYS F CE 8365 N NZ . LYS F 138 ? 0.8358 0.5421 0.7596 -0.0394 0.1714 -0.1688 153 LYS F NZ 8366 N N . ALA F 139 ? 0.4562 0.3518 0.4619 -0.0410 0.0640 -0.1733 154 ALA F N 8367 C CA . ALA F 139 ? 0.4256 0.3502 0.4429 -0.0318 0.0489 -0.1650 154 ALA F CA 8368 C C . ALA F 139 ? 0.4488 0.3884 0.4846 -0.0287 0.0428 -0.1561 154 ALA F C 8369 O O . ALA F 139 ? 0.4336 0.3818 0.4812 -0.0387 0.0411 -0.1629 154 ALA F O 8370 C CB . ALA F 139 ? 0.4354 0.3843 0.4570 -0.0392 0.0391 -0.1772 154 ALA F CB 8371 N N . THR F 140 ? 0.3929 0.3354 0.4306 -0.0152 0.0398 -0.1408 155 THR F N 8372 C CA . THR F 140 ? 0.3632 0.3181 0.4164 -0.0118 0.0349 -0.1317 155 THR F CA 8373 C C . THR F 140 ? 0.3753 0.3584 0.4409 -0.0068 0.0216 -0.1272 155 THR F C 8374 O O . THR F 140 ? 0.3658 0.3535 0.4274 0.0034 0.0180 -0.1192 155 THR F O 8375 C CB . THR F 140 ? 0.4483 0.3879 0.4956 -0.0016 0.0425 -0.1181 155 THR F CB 8376 O OG1 . THR F 140 ? 0.4399 0.3525 0.4744 -0.0048 0.0567 -0.1216 155 THR F OG1 8377 C CG2 . THR F 140 ? 0.3859 0.3375 0.4483 0.0006 0.0382 -0.1098 155 THR F CG2 8378 N N . LEU F 141 ? 0.3092 0.3102 0.3896 -0.0134 0.0154 -0.1316 156 LEU F N 8379 C CA . LEU F 141 ? 0.2861 0.3127 0.3792 -0.0089 0.0048 -0.1268 156 LEU F CA 8380 C C . LEU F 141 ? 0.3199 0.3456 0.4209 -0.0034 0.0049 -0.1150 156 LEU F C 8381 O O . LEU F 141 ? 0.3185 0.3320 0.4210 -0.0075 0.0107 -0.1149 156 LEU F O 8382 C CB . LEU F 141 ? 0.2824 0.3285 0.3863 -0.0186 -0.0002 -0.1369 156 LEU F CB 8383 C CG . LEU F 141 ? 0.3543 0.4105 0.4531 -0.0254 -0.0023 -0.1499 156 LEU F CG 8384 C CD1 . LEU F 141 ? 0.3705 0.4106 0.4634 -0.0391 0.0057 -0.1626 156 LEU F CD1 8385 C CD2 . LEU F 141 ? 0.3734 0.4616 0.4848 -0.0266 -0.0113 -0.1525 156 LEU F CD2 8386 N N . VAL F 142 ? 0.2570 0.2952 0.3628 0.0055 -0.0007 -0.1056 157 VAL F N 8387 C CA . VAL F 142 ? 0.2356 0.2743 0.3487 0.0094 -0.0007 -0.0954 157 VAL F CA 8388 C C . VAL F 142 ? 0.2868 0.3458 0.4127 0.0104 -0.0076 -0.0931 157 VAL F C 8389 O O . VAL F 142 ? 0.2745 0.3470 0.4011 0.0153 -0.0123 -0.0925 157 VAL F O 8390 C CB . VAL F 142 ? 0.2743 0.3051 0.3798 0.0188 0.0021 -0.0846 157 VAL F CB 8391 C CG1 . VAL F 142 ? 0.2515 0.2904 0.3660 0.0224 0.0000 -0.0749 157 VAL F CG1 8392 C CG2 . VAL F 142 ? 0.2838 0.2937 0.3777 0.0186 0.0113 -0.0843 157 VAL F CG2 8393 N N . CYS F 143 ? 0.2590 0.3195 0.3942 0.0066 -0.0072 -0.0914 158 CYS F N 8394 C CA . CYS F 143 ? 0.2561 0.3323 0.4019 0.0080 -0.0117 -0.0879 158 CYS F CA 8395 C C . CYS F 143 ? 0.2880 0.3609 0.4365 0.0124 -0.0103 -0.0778 158 CYS F C 8396 O O . CYS F 143 ? 0.2781 0.3400 0.4256 0.0103 -0.0063 -0.0756 158 CYS F O 8397 C CB . CYS F 143 ? 0.2720 0.3533 0.4260 -0.0001 -0.0122 -0.0939 158 CYS F CB 8398 S SG . CYS F 143 ? 0.3153 0.4149 0.4807 0.0025 -0.0160 -0.0890 158 CYS F SG 8399 N N . LEU F 144 ? 0.2277 0.3112 0.3795 0.0183 -0.0129 -0.0720 159 LEU F N 8400 C CA . LEU F 144 ? 0.2091 0.2911 0.3633 0.0212 -0.0113 -0.0635 159 LEU F CA 8401 C C . LEU F 144 ? 0.2486 0.3398 0.4115 0.0210 -0.0121 -0.0612 159 LEU F C 8402 O O . LEU F 144 ? 0.2530 0.3554 0.4177 0.0256 -0.0140 -0.0607 159 LEU F O 8403 C CB . LEU F 144 ? 0.2083 0.2911 0.3565 0.0290 -0.0116 -0.0578 159 LEU F CB 8404 C CG . LEU F 144 ? 0.2634 0.3416 0.4097 0.0308 -0.0088 -0.0501 159 LEU F CG 8405 C CD1 . LEU F 144 ? 0.2700 0.3377 0.4120 0.0273 -0.0053 -0.0505 159 LEU F CD1 8406 C CD2 . LEU F 144 ? 0.2937 0.3739 0.4339 0.0387 -0.0094 -0.0450 159 LEU F CD2 8407 N N . ALA F 145 ? 0.1880 0.2746 0.3558 0.0161 -0.0100 -0.0599 160 ALA F N 8408 C CA . ALA F 145 ? 0.1749 0.2664 0.3494 0.0156 -0.0090 -0.0568 160 ALA F CA 8409 C C . ALA F 145 ? 0.1999 0.2877 0.3738 0.0170 -0.0061 -0.0501 160 ALA F C 8410 O O . ALA F 145 ? 0.1831 0.2643 0.3550 0.0141 -0.0046 -0.0489 160 ALA F O 8411 C CB . ALA F 145 ? 0.1819 0.2703 0.3615 0.0089 -0.0084 -0.0602 160 ALA F CB 8412 N N . THR F 146 ? 0.1562 0.2491 0.3310 0.0218 -0.0046 -0.0456 161 THR F N 8413 C CA . THR F 146 ? 0.1496 0.2395 0.3235 0.0222 -0.0011 -0.0399 161 THR F CA 8414 C C . THR F 146 ? 0.2000 0.2899 0.3772 0.0224 0.0036 -0.0365 161 THR F C 8415 O O . THR F 146 ? 0.2022 0.2967 0.3818 0.0254 0.0041 -0.0368 161 THR F O 8416 C CB . THR F 146 ? 0.1297 0.2226 0.2989 0.0290 -0.0019 -0.0368 161 THR F CB 8417 O OG1 . THR F 146 ? 0.1374 0.2381 0.3069 0.0360 -0.0031 -0.0369 161 THR F OG1 8418 C CG2 . THR F 146 ? 0.0464 0.1317 0.2047 0.0276 -0.0047 -0.0382 161 THR F CG2 8419 N N . GLY F 147 ? 0.1457 0.2309 0.3223 0.0193 0.0078 -0.0332 162 GLY F N 8420 C CA . GLY F 147 ? 0.1448 0.2266 0.3226 0.0187 0.0144 -0.0297 162 GLY F CA 8421 C C . GLY F 147 ? 0.1978 0.2751 0.3782 0.0146 0.0173 -0.0307 162 GLY F C 8422 O O . GLY F 147 ? 0.2216 0.2959 0.4018 0.0168 0.0236 -0.0275 162 GLY F O 8423 N N . PHE F 148 ? 0.1235 0.1994 0.3059 0.0094 0.0137 -0.0345 163 PHE F N 8424 C CA . PHE F 148 ? 0.1144 0.1860 0.2994 0.0059 0.0160 -0.0352 163 PHE F CA 8425 C C . PHE F 148 ? 0.1630 0.2273 0.3478 -0.0023 0.0190 -0.0357 163 PHE F C 8426 O O . PHE F 148 ? 0.1429 0.2083 0.3269 -0.0060 0.0168 -0.0372 163 PHE F O 8427 C CB . PHE F 148 ? 0.1299 0.2055 0.3179 0.0058 0.0107 -0.0392 163 PHE F CB 8428 C CG . PHE F 148 ? 0.1394 0.2137 0.3275 0.0018 0.0064 -0.0432 163 PHE F CG 8429 C CD1 . PHE F 148 ? 0.1684 0.2464 0.3539 0.0048 0.0026 -0.0451 163 PHE F CD1 8430 C CD2 . PHE F 148 ? 0.1597 0.2284 0.3496 -0.0040 0.0070 -0.0447 163 PHE F CD2 8431 C CE1 . PHE F 148 ? 0.1763 0.2511 0.3603 0.0022 0.0007 -0.0480 163 PHE F CE1 8432 C CE2 . PHE F 148 ? 0.1896 0.2569 0.3789 -0.0060 0.0048 -0.0474 163 PHE F CE2 8433 C CZ . PHE F 148 ? 0.1605 0.2302 0.3465 -0.0028 0.0022 -0.0489 163 PHE F CZ 8434 N N . PHE F 149 ? 0.1306 0.1883 0.3156 -0.0048 0.0243 -0.0344 164 PHE F N 8435 C CA . PHE F 149 ? 0.1332 0.1841 0.3177 -0.0129 0.0275 -0.0356 164 PHE F CA 8436 C C . PHE F 149 ? 0.2046 0.2488 0.3899 -0.0134 0.0311 -0.0346 164 PHE F C 8437 O O . PHE F 149 ? 0.2020 0.2439 0.3855 -0.0083 0.0359 -0.0310 164 PHE F O 8438 C CB . PHE F 149 ? 0.1573 0.2050 0.3381 -0.0174 0.0334 -0.0345 164 PHE F CB 8439 C CG . PHE F 149 ? 0.1689 0.2121 0.3489 -0.0268 0.0364 -0.0369 164 PHE F CG 8440 C CD1 . PHE F 149 ? 0.1958 0.2463 0.3770 -0.0314 0.0320 -0.0395 164 PHE F CD1 8441 C CD2 . PHE F 149 ? 0.1972 0.2294 0.3746 -0.0304 0.0440 -0.0363 164 PHE F CD2 8442 C CE1 . PHE F 149 ? 0.2029 0.2521 0.3835 -0.0395 0.0343 -0.0420 164 PHE F CE1 8443 C CE2 . PHE F 149 ? 0.2271 0.2556 0.4033 -0.0394 0.0464 -0.0393 164 PHE F CE2 8444 C CZ . PHE F 149 ? 0.1928 0.2310 0.3711 -0.0440 0.0411 -0.0424 164 PHE F CZ 8445 N N . PRO F 150 ? 0.1789 0.2199 0.3662 -0.0184 0.0297 -0.0368 165 PRO F N 8446 C CA . PRO F 150 ? 0.1799 0.2241 0.3691 -0.0230 0.0251 -0.0403 165 PRO F CA 8447 C C . PRO F 150 ? 0.2495 0.3000 0.4421 -0.0189 0.0184 -0.0422 165 PRO F C 8448 O O . PRO F 150 ? 0.2528 0.3067 0.4462 -0.0138 0.0166 -0.0417 165 PRO F O 8449 C CB . PRO F 150 ? 0.2006 0.2379 0.3906 -0.0278 0.0278 -0.0410 165 PRO F CB 8450 C CG . PRO F 150 ? 0.2589 0.2879 0.4464 -0.0258 0.0341 -0.0376 165 PRO F CG 8451 C CD . PRO F 150 ? 0.2012 0.2353 0.3886 -0.0182 0.0333 -0.0351 165 PRO F CD 8452 N N . ASP F 151 ? 0.2094 0.2618 0.4033 -0.0212 0.0156 -0.0446 166 ASP F N 8453 C CA . ASP F 151 ? 0.2138 0.2693 0.4093 -0.0183 0.0112 -0.0469 166 ASP F CA 8454 C C . ASP F 151 ? 0.2776 0.3305 0.4776 -0.0182 0.0097 -0.0491 166 ASP F C 8455 O O . ASP F 151 ? 0.2769 0.3291 0.4783 -0.0183 0.0082 -0.0516 166 ASP F O 8456 C CB . ASP F 151 ? 0.2375 0.2955 0.4310 -0.0193 0.0110 -0.0474 166 ASP F CB 8457 C CG . ASP F 151 ? 0.3829 0.4395 0.5781 -0.0231 0.0130 -0.0477 166 ASP F CG 8458 O OD1 . ASP F 151 ? 0.3944 0.4481 0.5901 -0.0268 0.0155 -0.0471 166 ASP F OD1 8459 O OD2 . ASP F 151 ? 0.4758 0.5340 0.6710 -0.0218 0.0129 -0.0483 166 ASP F OD2 8460 N N . HIS F 152 ? 0.2364 0.2885 0.4382 -0.0173 0.0107 -0.0476 167 HIS F N 8461 C CA . HIS F 152 ? 0.2260 0.2784 0.4325 -0.0173 0.0091 -0.0492 167 HIS F CA 8462 C C . HIS F 152 ? 0.2478 0.3085 0.4552 -0.0143 0.0056 -0.0514 167 HIS F C 8463 O O . HIS F 152 ? 0.2379 0.3046 0.4455 -0.0111 0.0060 -0.0493 167 HIS F O 8464 C CB . HIS F 152 ? 0.2396 0.2884 0.4469 -0.0174 0.0125 -0.0455 167 HIS F CB 8465 C CG . HIS F 152 ? 0.2795 0.3202 0.4859 -0.0212 0.0158 -0.0445 167 HIS F CG 8466 N ND1 . HIS F 152 ? 0.2989 0.3350 0.5083 -0.0225 0.0168 -0.0438 167 HIS F ND1 8467 C CD2 . HIS F 152 ? 0.2966 0.3344 0.4992 -0.0242 0.0185 -0.0442 167 HIS F CD2 8468 C CE1 . HIS F 152 ? 0.2881 0.3184 0.4952 -0.0259 0.0198 -0.0434 167 HIS F CE1 8469 N NE2 . HIS F 152 ? 0.2907 0.3228 0.4938 -0.0276 0.0208 -0.0440 167 HIS F NE2 8470 N N . VAL F 153 ? 0.1974 0.2588 0.4042 -0.0150 0.0031 -0.0556 168 VAL F N 8471 C CA . VAL F 153 ? 0.1982 0.2671 0.4046 -0.0134 0.0000 -0.0593 168 VAL F CA 8472 C C . VAL F 153 ? 0.2551 0.3213 0.4636 -0.0171 -0.0010 -0.0652 168 VAL F C 8473 O O . VAL F 153 ? 0.2382 0.2957 0.4462 -0.0189 0.0012 -0.0659 168 VAL F O 8474 C CB . VAL F 153 ? 0.2438 0.3154 0.4448 -0.0097 -0.0010 -0.0587 168 VAL F CB 8475 C CG1 . VAL F 153 ? 0.2393 0.3144 0.4386 -0.0057 0.0008 -0.0534 168 VAL F CG1 8476 C CG2 . VAL F 153 ? 0.2419 0.3065 0.4389 -0.0105 0.0002 -0.0588 168 VAL F CG2 8477 N N . GLU F 154 ? 0.2333 0.3081 0.4438 -0.0180 -0.0035 -0.0694 169 GLU F N 8478 C CA . GLU F 154 ? 0.2357 0.3093 0.4477 -0.0228 -0.0038 -0.0765 169 GLU F CA 8479 C C . GLU F 154 ? 0.2772 0.3583 0.4852 -0.0223 -0.0063 -0.0812 169 GLU F C 8480 O O . GLU F 154 ? 0.2751 0.3706 0.4842 -0.0202 -0.0092 -0.0811 169 GLU F O 8481 C CB . GLU F 154 ? 0.2562 0.3354 0.4753 -0.0262 -0.0044 -0.0778 169 GLU F CB 8482 C CG . GLU F 154 ? 0.4197 0.4869 0.6422 -0.0288 -0.0011 -0.0769 169 GLU F CG 8483 C CD . GLU F 154 ? 0.6693 0.7400 0.8981 -0.0293 -0.0011 -0.0735 169 GLU F CD 8484 O OE1 . GLU F 154 ? 0.5396 0.6225 0.7722 -0.0310 -0.0033 -0.0753 169 GLU F OE1 8485 O OE2 . GLU F 154 ? 0.6036 0.6655 0.8331 -0.0281 0.0013 -0.0689 169 GLU F OE2 8486 N N . LEU F 155 ? 0.2334 0.3052 0.4356 -0.0231 -0.0046 -0.0846 170 LEU F N 8487 C CA . LEU F 155 ? 0.2392 0.3153 0.4359 -0.0228 -0.0063 -0.0895 170 LEU F CA 8488 C C . LEU F 155 ? 0.2991 0.3726 0.4956 -0.0302 -0.0048 -0.0991 170 LEU F C 8489 O O . LEU F 155 ? 0.2975 0.3563 0.4927 -0.0334 0.0002 -0.1012 170 LEU F O 8490 C CB . LEU F 155 ? 0.2420 0.3089 0.4306 -0.0181 -0.0044 -0.0863 170 LEU F CB 8491 C CG . LEU F 155 ? 0.3103 0.3836 0.4927 -0.0144 -0.0070 -0.0877 170 LEU F CG 8492 C CD1 . LEU F 155 ? 0.3053 0.3733 0.4819 -0.0081 -0.0059 -0.0811 170 LEU F CD1 8493 C CD2 . LEU F 155 ? 0.3684 0.4376 0.5457 -0.0190 -0.0058 -0.0968 170 LEU F CD2 8494 N N . SER F 156 ? 0.2487 0.3371 0.4459 -0.0329 -0.0084 -0.1051 171 SER F N 8495 C CA . SER F 156 ? 0.2443 0.3333 0.4410 -0.0417 -0.0071 -0.1158 171 SER F CA 8496 C C . SER F 156 ? 0.2924 0.3930 0.4836 -0.0423 -0.0101 -0.1222 171 SER F C 8497 O O . SER F 156 ? 0.2676 0.3841 0.4591 -0.0359 -0.0148 -0.1183 171 SER F O 8498 C CB . SER F 156 ? 0.2714 0.3723 0.4777 -0.0474 -0.0085 -0.1181 171 SER F CB 8499 O OG . SER F 156 ? 0.3439 0.4680 0.5545 -0.0437 -0.0139 -0.1150 171 SER F OG 8500 N N . TRP F 157 ? 0.2778 0.3694 0.4631 -0.0497 -0.0066 -0.1321 172 TRP F N 8501 C CA . TRP F 157 ? 0.2916 0.3925 0.4705 -0.0523 -0.0086 -0.1402 172 TRP F CA 8502 C C . TRP F 157 ? 0.3742 0.4941 0.5586 -0.0627 -0.0109 -0.1506 172 TRP F C 8503 O O . TRP F 157 ? 0.3712 0.4849 0.5601 -0.0714 -0.0072 -0.1555 172 TRP F O 8504 C CB . TRP F 157 ? 0.2892 0.3669 0.4559 -0.0541 -0.0021 -0.1448 172 TRP F CB 8505 C CG . TRP F 157 ? 0.2952 0.3604 0.4548 -0.0433 -0.0008 -0.1350 172 TRP F CG 8506 C CD1 . TRP F 157 ? 0.3266 0.3745 0.4850 -0.0387 0.0040 -0.1271 172 TRP F CD1 8507 C CD2 . TRP F 157 ? 0.2941 0.3649 0.4469 -0.0358 -0.0042 -0.1323 172 TRP F CD2 8508 N NE1 . TRP F 157 ? 0.3182 0.3615 0.4694 -0.0296 0.0038 -0.1198 172 TRP F NE1 8509 C CE2 . TRP F 157 ? 0.3381 0.3941 0.4859 -0.0274 -0.0012 -0.1226 172 TRP F CE2 8510 C CE3 . TRP F 157 ? 0.3146 0.4029 0.4650 -0.0349 -0.0094 -0.1371 172 TRP F CE3 8511 C CZ2 . TRP F 157 ? 0.3291 0.3858 0.4697 -0.0188 -0.0030 -0.1174 172 TRP F CZ2 8512 C CZ3 . TRP F 157 ? 0.3340 0.4221 0.4773 -0.0255 -0.0112 -0.1317 172 TRP F CZ3 8513 C CH2 . TRP F 157 ? 0.3384 0.4104 0.4772 -0.0177 -0.0080 -0.1218 172 TRP F CH2 8514 N N . TRP F 158 ? 0.3512 0.4964 0.5358 -0.0613 -0.0168 -0.1536 173 TRP F N 8515 C CA . TRP F 158 ? 0.3613 0.5316 0.5511 -0.0706 -0.0199 -0.1633 173 TRP F CA 8516 C C . TRP F 158 ? 0.4276 0.6066 0.6090 -0.0750 -0.0211 -0.1741 173 TRP F C 8517 O O . TRP F 158 ? 0.4272 0.6179 0.6048 -0.0658 -0.0252 -0.1704 173 TRP F O 8518 C CB . TRP F 158 ? 0.3338 0.5333 0.5329 -0.0635 -0.0259 -0.1554 173 TRP F CB 8519 C CG . TRP F 158 ? 0.3364 0.5287 0.5434 -0.0606 -0.0244 -0.1459 173 TRP F CG 8520 C CD1 . TRP F 158 ? 0.3638 0.5378 0.5703 -0.0518 -0.0225 -0.1348 173 TRP F CD1 8521 C CD2 . TRP F 158 ? 0.3321 0.5384 0.5486 -0.0660 -0.0251 -0.1464 173 TRP F CD2 8522 N NE1 . TRP F 158 ? 0.3487 0.5219 0.5630 -0.0519 -0.0215 -0.1291 173 TRP F NE1 8523 C CE2 . TRP F 158 ? 0.3699 0.5625 0.5905 -0.0598 -0.0231 -0.1354 173 TRP F CE2 8524 C CE3 . TRP F 158 ? 0.3545 0.5844 0.5762 -0.0760 -0.0270 -0.1554 173 TRP F CE3 8525 C CZ2 . TRP F 158 ? 0.3547 0.5545 0.5840 -0.0623 -0.0229 -0.1323 173 TRP F CZ2 8526 C CZ3 . TRP F 158 ? 0.3660 0.6045 0.5970 -0.0786 -0.0269 -0.1520 173 TRP F CZ3 8527 C CH2 . TRP F 158 ? 0.3627 0.5853 0.5972 -0.0713 -0.0249 -0.1403 173 TRP F CH2 8528 N N . VAL F 159 ? 0.3931 0.5648 0.5709 -0.0891 -0.0167 -0.1877 174 VAL F N 8529 C CA . VAL F 159 ? 0.4034 0.5808 0.5718 -0.0957 -0.0167 -0.2001 174 VAL F CA 8530 C C . VAL F 159 ? 0.4611 0.6707 0.6358 -0.1080 -0.0203 -0.2120 174 VAL F C 8531 O O . VAL F 159 ? 0.4577 0.6648 0.6378 -0.1200 -0.0167 -0.2186 174 VAL F O 8532 C CB . VAL F 159 ? 0.4683 0.6093 0.6242 -0.1023 -0.0069 -0.2071 174 VAL F CB 8533 C CG1 . VAL F 159 ? 0.4848 0.6305 0.6294 -0.1088 -0.0065 -0.2198 174 VAL F CG1 8534 C CG2 . VAL F 159 ? 0.4588 0.5721 0.6091 -0.0894 -0.0033 -0.1940 174 VAL F CG2 8535 N N . ASN F 160 ? 0.4197 0.6614 0.5938 -0.1043 -0.0273 -0.2143 175 ASN F N 8536 C CA . ASN F 160 ? 0.4205 0.7017 0.6000 -0.1135 -0.0321 -0.2247 175 ASN F CA 8537 C C . ASN F 160 ? 0.4720 0.7741 0.6655 -0.1145 -0.0346 -0.2192 175 ASN F C 8538 O O . ASN F 160 ? 0.4755 0.8000 0.6744 -0.1278 -0.0353 -0.2296 175 ASN F O 8539 C CB . ASN F 160 ? 0.4287 0.7035 0.6007 -0.1327 -0.0272 -0.2441 175 ASN F CB 8540 C CG . ASN F 160 ? 0.6322 0.8921 0.7893 -0.1317 -0.0251 -0.2503 175 ASN F CG 8541 O OD1 . ASN F 160 ? 0.5442 0.8220 0.6983 -0.1202 -0.0310 -0.2459 175 ASN F OD1 8542 N ND2 . ASN F 160 ? 0.5132 0.7398 0.6601 -0.1432 -0.0158 -0.2604 175 ASN F ND2 8543 N N . GLY F 161 ? 0.4243 0.7193 0.6231 -0.1006 -0.0355 -0.2028 176 GLY F N 8544 C CA . GLY F 161 ? 0.4152 0.7259 0.6257 -0.0982 -0.0372 -0.1946 176 GLY F CA 8545 C C . GLY F 161 ? 0.4757 0.7599 0.6910 -0.1055 -0.0317 -0.1939 176 GLY F C 8546 O O . GLY F 161 ? 0.4598 0.7547 0.6843 -0.1033 -0.0328 -0.1865 176 GLY F O 8547 N N . LYS F 162 ? 0.4541 0.7033 0.6625 -0.1132 -0.0250 -0.2007 177 LYS F N 8548 C CA . LYS F 162 ? 0.4579 0.6799 0.6699 -0.1194 -0.0183 -0.2003 177 LYS F CA 8549 C C . LYS F 162 ? 0.5054 0.6907 0.7117 -0.1096 -0.0135 -0.1906 177 LYS F C 8550 O O . LYS F 162 ? 0.5106 0.6805 0.7063 -0.1065 -0.0114 -0.1922 177 LYS F O 8551 C CB . LYS F 162 ? 0.5141 0.7270 0.7231 -0.1381 -0.0119 -0.2173 177 LYS F CB 8552 C CG . LYS F 162 ? 0.7220 0.9725 0.9368 -0.1508 -0.0160 -0.2290 177 LYS F CG 8553 C CD . LYS F 162 ? 0.8875 1.1244 1.0985 -0.1708 -0.0080 -0.2467 177 LYS F CD 8554 C CE . LYS F 162 ? 1.0355 1.3114 1.2525 -0.1857 -0.0118 -0.2597 177 LYS F CE 8555 N NZ . LYS F 162 ? 1.1210 1.4178 1.3523 -0.1866 -0.0147 -0.2537 177 LYS F NZ 8556 N N . GLU F 163 ? 0.4515 0.6239 0.6642 -0.1049 -0.0115 -0.1808 178 GLU F N 8557 C CA . GLU F 163 ? 0.4451 0.5866 0.6534 -0.0961 -0.0069 -0.1716 178 GLU F CA 8558 C C . GLU F 163 ? 0.5190 0.6296 0.7194 -0.1038 0.0029 -0.1795 178 GLU F C 8559 O O . GLU F 163 ? 0.5140 0.6202 0.7174 -0.1155 0.0078 -0.1883 178 GLU F O 8560 C CB . GLU F 163 ? 0.4444 0.5831 0.6616 -0.0899 -0.0074 -0.1600 178 GLU F CB 8561 C CG . GLU F 163 ? 0.5484 0.6676 0.7615 -0.0780 -0.0059 -0.1485 178 GLU F CG 8562 C CD . GLU F 163 ? 0.7244 0.8371 0.9447 -0.0729 -0.0051 -0.1384 178 GLU F CD 8563 O OE1 . GLU F 163 ? 0.6788 0.8103 0.9060 -0.0696 -0.0097 -0.1328 178 GLU F OE1 8564 O OE2 . GLU F 163 ? 0.5741 0.6633 0.7921 -0.0711 0.0005 -0.1353 178 GLU F OE2 8565 N N . VAL F 164 ? 0.4971 0.5867 0.6870 -0.0968 0.0064 -0.1759 179 VAL F N 8566 C CA . VAL F 164 ? 0.5190 0.5779 0.6985 -0.1011 0.0172 -0.1814 179 VAL F CA 8567 C C . VAL F 164 ? 0.5657 0.6011 0.7437 -0.0909 0.0226 -0.1696 179 VAL F C 8568 O O . VAL F 164 ? 0.5391 0.5809 0.7201 -0.0801 0.0172 -0.1582 179 VAL F O 8569 C CB . VAL F 164 ? 0.5856 0.6412 0.7519 -0.1020 0.0181 -0.1883 179 VAL F CB 8570 C CG1 . VAL F 164 ? 0.5717 0.6255 0.7322 -0.0875 0.0143 -0.1771 179 VAL F CG1 8571 C CG2 . VAL F 164 ? 0.6099 0.6367 0.7649 -0.1106 0.0308 -0.1979 179 VAL F CG2 8572 N N . HIS F 165 ? 0.5486 0.5576 0.7215 -0.0945 0.0342 -0.1725 180 HIS F N 8573 C CA . HIS F 165 ? 0.5510 0.5386 0.7211 -0.0850 0.0411 -0.1622 180 HIS F CA 8574 C C . HIS F 165 ? 0.6070 0.5681 0.7615 -0.0834 0.0526 -0.1644 180 HIS F C 8575 O O . HIS F 165 ? 0.6021 0.5497 0.7510 -0.0727 0.0573 -0.1546 180 HIS F O 8576 C CB . HIS F 165 ? 0.5674 0.5490 0.7473 -0.0880 0.0456 -0.1609 180 HIS F CB 8577 C CG . HIS F 165 ? 0.6000 0.6050 0.7939 -0.0879 0.0355 -0.1569 180 HIS F CG 8578 N ND1 . HIS F 165 ? 0.6283 0.6475 0.8310 -0.0988 0.0332 -0.1649 180 HIS F ND1 8579 C CD2 . HIS F 165 ? 0.6073 0.6235 0.8066 -0.0784 0.0281 -0.1458 180 HIS F CD2 8580 C CE1 . HIS F 165 ? 0.6039 0.6418 0.8166 -0.0942 0.0247 -0.1574 180 HIS F CE1 8581 N NE2 . HIS F 165 ? 0.5956 0.6311 0.8062 -0.0823 0.0218 -0.1461 180 HIS F NE2 8582 N N . SER F 166 ? 0.5746 0.5293 0.7215 -0.0941 0.0577 -0.1773 181 SER F N 8583 C CA . SER F 166 ? 0.5896 0.5176 0.7197 -0.0941 0.0702 -0.1811 181 SER F CA 8584 C C . SER F 166 ? 0.6214 0.5530 0.7415 -0.0849 0.0652 -0.1760 181 SER F C 8585 O O . SER F 166 ? 0.6104 0.5640 0.7331 -0.0868 0.0543 -0.1794 181 SER F O 8586 C CB . SER F 166 ? 0.6570 0.5784 0.7827 -0.1105 0.0770 -0.1979 181 SER F CB 8587 O OG . SER F 166 ? 0.8002 0.6940 0.9077 -0.1108 0.0901 -0.2020 181 SER F OG 8588 N N . GLY F 167 ? 0.5725 0.4836 0.6812 -0.0742 0.0736 -0.1671 182 GLY F N 8589 C CA . GLY F 167 ? 0.5618 0.4733 0.6601 -0.0639 0.0705 -0.1604 182 GLY F CA 8590 C C . GLY F 167 ? 0.5649 0.4986 0.6728 -0.0539 0.0577 -0.1487 182 GLY F C 8591 O O . GLY F 167 ? 0.5478 0.4870 0.6496 -0.0463 0.0530 -0.1437 182 GLY F O 8592 N N . VAL F 168 ? 0.4964 0.4417 0.6187 -0.0537 0.0529 -0.1443 183 VAL F N 8593 C CA . VAL F 168 ? 0.4688 0.4334 0.6005 -0.0458 0.0422 -0.1340 183 VAL F CA 8594 C C . VAL F 168 ? 0.5251 0.4808 0.6567 -0.0364 0.0470 -0.1222 183 VAL F C 8595 O O . VAL F 168 ? 0.5208 0.4638 0.6537 -0.0378 0.0554 -0.1222 183 VAL F O 8596 C CB . VAL F 168 ? 0.4950 0.4811 0.6421 -0.0521 0.0329 -0.1372 183 VAL F CB 8597 C CG1 . VAL F 168 ? 0.4671 0.4674 0.6230 -0.0441 0.0252 -0.1261 183 VAL F CG1 8598 C CG2 . VAL F 168 ? 0.4958 0.4984 0.6433 -0.0592 0.0264 -0.1470 183 VAL F CG2 8599 N N . CYS F 169 ? 0.4860 0.4503 0.6166 -0.0269 0.0418 -0.1123 184 CYS F N 8600 C CA . CYS F 169 ? 0.4848 0.4475 0.6165 -0.0185 0.0444 -0.1012 184 CYS F CA 8601 C C . CYS F 169 ? 0.4803 0.4615 0.6175 -0.0133 0.0343 -0.0937 184 CYS F C 8602 O O . CYS F 169 ? 0.4720 0.4587 0.6040 -0.0097 0.0302 -0.0922 184 CYS F O 8603 C CB . CYS F 169 ? 0.5181 0.4626 0.6357 -0.0113 0.0562 -0.0964 184 CYS F CB 8604 S SG . CYS F 169 ? 0.5715 0.5224 0.6805 0.0009 0.0542 -0.0844 184 CYS F SG 8605 N N . THR F 170 ? 0.4063 0.3967 0.5545 -0.0138 0.0305 -0.0901 185 THR F N 8606 C CA . THR F 170 ? 0.3874 0.3934 0.5419 -0.0106 0.0226 -0.0837 185 THR F CA 8607 C C . THR F 170 ? 0.4433 0.4487 0.5966 -0.0045 0.0260 -0.0746 185 THR F C 8608 O O . THR F 170 ? 0.4466 0.4432 0.5991 -0.0038 0.0330 -0.0737 185 THR F O 8609 C CB . THR F 170 ? 0.4101 0.4265 0.5766 -0.0162 0.0168 -0.0868 185 THR F CB 8610 O OG1 . THR F 170 ? 0.4163 0.4349 0.5837 -0.0224 0.0150 -0.0958 185 THR F OG1 8611 C CG2 . THR F 170 ? 0.3598 0.3904 0.5312 -0.0133 0.0099 -0.0814 185 THR F CG2 8612 N N . ASP F 171 ? 0.3936 0.4094 0.5464 0.0000 0.0218 -0.0681 186 ASP F N 8613 C CA . ASP F 171 ? 0.3876 0.4077 0.5396 0.0047 0.0241 -0.0599 186 ASP F CA 8614 C C . ASP F 171 ? 0.4185 0.4406 0.5793 0.0015 0.0246 -0.0596 186 ASP F C 8615 O O . ASP F 171 ? 0.3996 0.4259 0.5688 -0.0034 0.0198 -0.0628 186 ASP F O 8616 C CB . ASP F 171 ? 0.4073 0.4397 0.5593 0.0073 0.0188 -0.0547 186 ASP F CB 8617 C CG . ASP F 171 ? 0.5897 0.6214 0.7326 0.0123 0.0186 -0.0528 186 ASP F CG 8618 O OD1 . ASP F 171 ? 0.6127 0.6351 0.7461 0.0164 0.0247 -0.0517 186 ASP F OD1 8619 O OD2 . ASP F 171 ? 0.6781 0.7180 0.8227 0.0130 0.0132 -0.0516 186 ASP F OD2 8620 N N . PRO F 172 ? 0.3765 0.3965 0.5352 0.0052 0.0309 -0.0553 187 PRO F N 8621 C CA . PRO F 172 ? 0.3658 0.3879 0.5326 0.0029 0.0316 -0.0549 187 PRO F CA 8622 C C . PRO F 172 ? 0.4035 0.4383 0.5767 0.0002 0.0254 -0.0524 187 PRO F C 8623 O O . PRO F 172 ? 0.3921 0.4273 0.5729 -0.0040 0.0232 -0.0545 187 PRO F O 8624 C CB . PRO F 172 ? 0.3915 0.4118 0.5528 0.0096 0.0401 -0.0496 187 PRO F CB 8625 C CG . PRO F 172 ? 0.4538 0.4773 0.6048 0.0156 0.0419 -0.0447 187 PRO F CG 8626 C CD . PRO F 172 ? 0.4030 0.4197 0.5512 0.0128 0.0382 -0.0499 187 PRO F CD 8627 N N . GLN F 173 ? 0.3550 0.3991 0.5243 0.0025 0.0233 -0.0481 188 GLN F N 8628 C CA . GLN F 173 ? 0.3446 0.3993 0.5183 -0.0007 0.0191 -0.0461 188 GLN F CA 8629 C C . GLN F 173 ? 0.3766 0.4355 0.5478 -0.0004 0.0151 -0.0452 188 GLN F C 8630 O O . GLN F 173 ? 0.3880 0.4463 0.5524 0.0041 0.0160 -0.0435 188 GLN F O 8631 C CB . GLN F 173 ? 0.3656 0.4308 0.5380 0.0009 0.0220 -0.0411 188 GLN F CB 8632 C CG . GLN F 173 ? 0.6393 0.7107 0.8032 0.0075 0.0257 -0.0357 188 GLN F CG 8633 C CD . GLN F 173 ? 0.9674 1.0545 1.1309 0.0084 0.0278 -0.0310 188 GLN F CD 8634 O OE1 . GLN F 173 ? 0.9420 1.0311 1.1064 0.0106 0.0320 -0.0299 188 GLN F OE1 8635 N NE2 . GLN F 173 ? 0.8815 0.9815 1.0438 0.0065 0.0253 -0.0283 188 GLN F NE2 8636 N N . PRO F 174 ? 0.2999 0.3627 0.4759 -0.0043 0.0116 -0.0458 189 PRO F N 8637 C CA . PRO F 174 ? 0.2799 0.3467 0.4537 -0.0029 0.0090 -0.0443 189 PRO F CA 8638 C C . PRO F 174 ? 0.2742 0.3504 0.4445 -0.0019 0.0102 -0.0393 189 PRO F C 8639 O O . PRO F 174 ? 0.2561 0.3381 0.4274 -0.0044 0.0124 -0.0378 189 PRO F O 8640 C CB . PRO F 174 ? 0.3005 0.3669 0.4801 -0.0066 0.0072 -0.0460 189 PRO F CB 8641 C CG . PRO F 174 ? 0.3619 0.4238 0.5465 -0.0101 0.0082 -0.0484 189 PRO F CG 8642 C CD . PRO F 174 ? 0.3105 0.3730 0.4932 -0.0093 0.0111 -0.0472 189 PRO F CD 8643 N N . LEU F 175 ? 0.2035 0.2828 0.3697 0.0016 0.0090 -0.0369 190 LEU F N 8644 C CA . LEU F 175 ? 0.1877 0.2776 0.3510 0.0020 0.0101 -0.0320 190 LEU F CA 8645 C C . LEU F 175 ? 0.2170 0.3099 0.3837 -0.0021 0.0093 -0.0319 190 LEU F C 8646 O O . LEU F 175 ? 0.2189 0.3063 0.3876 -0.0011 0.0079 -0.0336 190 LEU F O 8647 C CB . LEU F 175 ? 0.1942 0.2862 0.3496 0.0092 0.0105 -0.0278 190 LEU F CB 8648 C CG . LEU F 175 ? 0.2586 0.3444 0.4107 0.0140 0.0081 -0.0286 190 LEU F CG 8649 C CD1 . LEU F 175 ? 0.2611 0.3529 0.4146 0.0141 0.0064 -0.0261 190 LEU F CD1 8650 C CD2 . LEU F 175 ? 0.2858 0.3694 0.4286 0.0211 0.0101 -0.0253 190 LEU F CD2 8651 N N . LYS F 176 ? 0.1561 0.2585 0.3234 -0.0068 0.0113 -0.0299 191 LYS F N 8652 C CA . LYS F 176 ? 0.1394 0.2436 0.3088 -0.0118 0.0128 -0.0299 191 LYS F CA 8653 C C . LYS F 176 ? 0.1771 0.2838 0.3435 -0.0068 0.0120 -0.0264 191 LYS F C 8654 O O . LYS F 176 ? 0.1579 0.2721 0.3200 -0.0026 0.0113 -0.0226 191 LYS F O 8655 C CB . LYS F 176 ? 0.1652 0.2802 0.3352 -0.0198 0.0156 -0.0299 191 LYS F CB 8656 C CG . LYS F 176 ? 0.2554 0.3675 0.4286 -0.0252 0.0168 -0.0336 191 LYS F CG 8657 C CD . LYS F 176 ? 0.3467 0.4712 0.5200 -0.0337 0.0195 -0.0346 191 LYS F CD 8658 C CE . LYS F 176 ? 0.5229 0.6454 0.6987 -0.0376 0.0204 -0.0378 191 LYS F CE 8659 N NZ . LYS F 176 ? 0.6600 0.7955 0.8355 -0.0469 0.0232 -0.0399 191 LYS F NZ 8660 N N . GLU F 177 ? 0.1484 0.2486 0.3167 -0.0057 0.0126 -0.0269 192 GLU F N 8661 C CA . GLU F 177 ? 0.1445 0.2465 0.3105 -0.0002 0.0123 -0.0234 192 GLU F CA 8662 C C . GLU F 177 ? 0.1937 0.3047 0.3591 -0.0051 0.0155 -0.0207 192 GLU F C 8663 O O . GLU F 177 ? 0.2012 0.3188 0.3636 -0.0007 0.0147 -0.0165 192 GLU F O 8664 C CB . GLU F 177 ? 0.1630 0.2572 0.3312 0.0033 0.0132 -0.0243 192 GLU F CB 8665 C CG . GLU F 177 ? 0.2985 0.3888 0.4660 0.0098 0.0090 -0.0264 192 GLU F CG 8666 C CD . GLU F 177 ? 0.5793 0.6658 0.7496 0.0132 0.0097 -0.0276 192 GLU F CD 8667 O OE1 . GLU F 177 ? 0.4950 0.5813 0.6650 0.0174 0.0060 -0.0301 192 GLU F OE1 8668 O OE2 . GLU F 177 ? 0.4865 0.5707 0.6586 0.0117 0.0146 -0.0261 192 GLU F OE2 8669 N N . GLN F 178 ? 0.1402 0.2520 0.3082 -0.0147 0.0194 -0.0233 193 GLN F N 8670 C CA . GLN F 178 ? 0.1401 0.2616 0.3079 -0.0224 0.0232 -0.0225 193 GLN F CA 8671 C C . GLN F 178 ? 0.2025 0.3336 0.3708 -0.0308 0.0236 -0.0253 193 GLN F C 8672 O O . GLN F 178 ? 0.1977 0.3236 0.3679 -0.0389 0.0269 -0.0296 193 GLN F O 8673 C CB . GLN F 178 ? 0.1537 0.2664 0.3230 -0.0267 0.0296 -0.0236 193 GLN F CB 8674 C CG . GLN F 178 ? 0.2054 0.3114 0.3742 -0.0170 0.0299 -0.0201 193 GLN F CG 8675 C CD . GLN F 178 ? 0.3095 0.4255 0.4762 -0.0119 0.0280 -0.0151 193 GLN F CD 8676 O OE1 . GLN F 178 ? 0.2568 0.3860 0.4224 -0.0165 0.0275 -0.0137 193 GLN F OE1 8677 N NE2 . GLN F 178 ? 0.1561 0.2672 0.3221 -0.0020 0.0275 -0.0118 193 GLN F NE2 8678 N N . PRO F 179 ? 0.1638 0.3091 0.3296 -0.0279 0.0207 -0.0223 194 PRO F N 8679 C CA . PRO F 179 ? 0.1602 0.3176 0.3263 -0.0340 0.0212 -0.0243 194 PRO F CA 8680 C C . PRO F 179 ? 0.2058 0.3731 0.3734 -0.0471 0.0254 -0.0279 194 PRO F C 8681 O O . PRO F 179 ? 0.2032 0.3755 0.3719 -0.0534 0.0263 -0.0316 194 PRO F O 8682 C CB . PRO F 179 ? 0.1807 0.3536 0.3425 -0.0265 0.0191 -0.0183 194 PRO F CB 8683 C CG . PRO F 179 ? 0.2374 0.3986 0.3966 -0.0157 0.0167 -0.0150 194 PRO F CG 8684 C CD . PRO F 179 ? 0.1837 0.3345 0.3453 -0.0178 0.0177 -0.0165 194 PRO F CD 8685 N N . ALA F 180 ? 0.1525 0.3224 0.3199 -0.0516 0.0284 -0.0273 195 ALA F N 8686 C CA . ALA F 180 ? 0.1496 0.3279 0.3178 -0.0658 0.0336 -0.0318 195 ALA F CA 8687 C C . ALA F 180 ? 0.2111 0.3704 0.3805 -0.0738 0.0388 -0.0381 195 ALA F C 8688 O O . ALA F 180 ? 0.2190 0.3838 0.3881 -0.0867 0.0433 -0.0434 195 ALA F O 8689 C CB . ALA F 180 ? 0.1591 0.3430 0.3269 -0.0678 0.0364 -0.0292 195 ALA F CB 8690 N N . LEU F 181 ? 0.1642 0.3023 0.3343 -0.0663 0.0387 -0.0375 196 LEU F N 8691 C CA . LEU F 181 ? 0.1660 0.2849 0.3362 -0.0711 0.0442 -0.0416 196 LEU F CA 8692 C C . LEU F 181 ? 0.2284 0.3431 0.3998 -0.0694 0.0408 -0.0436 196 LEU F C 8693 O O . LEU F 181 ? 0.2115 0.3258 0.3841 -0.0595 0.0350 -0.0408 196 LEU F O 8694 C CB . LEU F 181 ? 0.1659 0.2671 0.3360 -0.0631 0.0470 -0.0387 196 LEU F CB 8695 C CG . LEU F 181 ? 0.2282 0.3299 0.3973 -0.0634 0.0518 -0.0363 196 LEU F CG 8696 C CD1 . LEU F 181 ? 0.2343 0.3233 0.4035 -0.0512 0.0524 -0.0320 196 LEU F CD1 8697 C CD2 . LEU F 181 ? 0.2506 0.3469 0.4176 -0.0774 0.0622 -0.0409 196 LEU F CD2 8698 N N . ASN F 182 ? 0.2099 0.3211 0.3805 -0.0795 0.0452 -0.0487 197 ASN F N 8699 C CA . ASN F 182 ? 0.2179 0.3253 0.3896 -0.0789 0.0429 -0.0507 197 ASN F CA 8700 C C . ASN F 182 ? 0.2912 0.3810 0.4645 -0.0690 0.0412 -0.0483 197 ASN F C 8701 O O . ASN F 182 ? 0.2892 0.3809 0.4648 -0.0627 0.0358 -0.0473 197 ASN F O 8702 C CB . ASN F 182 ? 0.2398 0.3438 0.4093 -0.0918 0.0492 -0.0566 197 ASN F CB 8703 C CG . ASN F 182 ? 0.4086 0.5064 0.5790 -0.0912 0.0478 -0.0585 197 ASN F CG 8704 O OD1 . ASN F 182 ? 0.3668 0.4717 0.5401 -0.0839 0.0416 -0.0565 197 ASN F OD1 8705 N ND2 . ASN F 182 ? 0.2539 0.3373 0.4212 -0.0988 0.0547 -0.0623 197 ASN F ND2 8706 N N . ASP F 183 ? 0.2530 0.3270 0.4249 -0.0676 0.0465 -0.0474 198 ASP F N 8707 C CA . ASP F 183 ? 0.2456 0.3073 0.4189 -0.0583 0.0449 -0.0449 198 ASP F CA 8708 C C . ASP F 183 ? 0.2642 0.3274 0.4383 -0.0484 0.0420 -0.0408 198 ASP F C 8709 O O . ASP F 183 ? 0.2634 0.3169 0.4367 -0.0430 0.0455 -0.0384 198 ASP F O 8710 C CB . ASP F 183 ? 0.2893 0.3335 0.4598 -0.0615 0.0533 -0.0456 198 ASP F CB 8711 C CG . ASP F 183 ? 0.5145 0.5549 0.6843 -0.0683 0.0546 -0.0492 198 ASP F CG 8712 O OD1 . ASP F 183 ? 0.5244 0.5746 0.6975 -0.0673 0.0478 -0.0502 198 ASP F OD1 8713 O OD2 . ASP F 183 ? 0.6399 0.6661 0.8053 -0.0734 0.0631 -0.0503 198 ASP F OD2 8714 N N . SER F 184 ? 0.1960 0.2726 0.3710 -0.0455 0.0360 -0.0396 199 SER F N 8715 C CA . SER F 184 ? 0.1812 0.2607 0.3562 -0.0361 0.0324 -0.0359 199 SER F CA 8716 C C . SER F 184 ? 0.2097 0.2831 0.3865 -0.0274 0.0284 -0.0353 199 SER F C 8717 O O . SER F 184 ? 0.1865 0.2580 0.3651 -0.0281 0.0259 -0.0373 199 SER F O 8718 C CB . SER F 184 ? 0.2095 0.3037 0.3837 -0.0347 0.0275 -0.0345 199 SER F CB 8719 O OG . SER F 184 ? 0.3232 0.4187 0.4964 -0.0250 0.0234 -0.0313 199 SER F OG 8720 N N . ARG F 185 ? 0.1567 0.2287 0.3330 -0.0194 0.0277 -0.0327 200 ARG F N 8721 C CA . ARG F 185 ? 0.1387 0.2089 0.3165 -0.0118 0.0235 -0.0328 200 ARG F CA 8722 C C . ARG F 185 ? 0.1870 0.2634 0.3645 -0.0094 0.0170 -0.0338 200 ARG F C 8723 O O . ARG F 185 ? 0.1793 0.2622 0.3547 -0.0108 0.0161 -0.0326 200 ARG F O 8724 C CB . ARG F 185 ? 0.1184 0.1876 0.2955 -0.0038 0.0253 -0.0298 200 ARG F CB 8725 C CG . ARG F 185 ? 0.1792 0.2399 0.3560 -0.0042 0.0330 -0.0284 200 ARG F CG 8726 C CD . ARG F 185 ? 0.2176 0.2766 0.3924 0.0017 0.0390 -0.0243 200 ARG F CD 8727 N NE . ARG F 185 ? 0.2573 0.3204 0.4328 0.0125 0.0372 -0.0221 200 ARG F NE 8728 C CZ . ARG F 185 ? 0.4374 0.4993 0.6113 0.0204 0.0436 -0.0178 200 ARG F CZ 8729 N NH1 . ARG F 185 ? 0.2445 0.2982 0.4159 0.0182 0.0532 -0.0152 200 ARG F NH1 8730 N NH2 . ARG F 185 ? 0.3235 0.3932 0.4983 0.0304 0.0413 -0.0160 200 ARG F NH2 8731 N N . TYR F 186 ? 0.1433 0.2177 0.3225 -0.0065 0.0134 -0.0360 201 TYR F N 8732 C CA . TYR F 186 ? 0.1347 0.2113 0.3126 -0.0047 0.0093 -0.0376 201 TYR F CA 8733 C C . TYR F 186 ? 0.1817 0.2592 0.3578 0.0021 0.0058 -0.0382 201 TYR F C 8734 O O . TYR F 186 ? 0.1854 0.2634 0.3627 0.0057 0.0055 -0.0383 201 TYR F O 8735 C CB . TYR F 186 ? 0.1468 0.2194 0.3278 -0.0081 0.0088 -0.0407 201 TYR F CB 8736 C CG . TYR F 186 ? 0.1631 0.2356 0.3454 -0.0146 0.0117 -0.0407 201 TYR F CG 8737 C CD1 . TYR F 186 ? 0.1916 0.2701 0.3720 -0.0164 0.0121 -0.0399 201 TYR F CD1 8738 C CD2 . TYR F 186 ? 0.1660 0.2331 0.3509 -0.0184 0.0146 -0.0414 201 TYR F CD2 8739 C CE1 . TYR F 186 ? 0.2122 0.2933 0.3937 -0.0225 0.0147 -0.0405 201 TYR F CE1 8740 C CE2 . TYR F 186 ? 0.1745 0.2412 0.3598 -0.0249 0.0175 -0.0421 201 TYR F CE2 8741 C CZ . TYR F 186 ? 0.2883 0.3629 0.4723 -0.0272 0.0171 -0.0422 201 TYR F CZ 8742 O OH . TYR F 186 ? 0.3089 0.3858 0.4933 -0.0337 0.0197 -0.0434 201 TYR F OH 8743 N N . ALA F 187 ? 0.1337 0.2117 0.3063 0.0040 0.0039 -0.0388 202 ALA F N 8744 C CA . ALA F 187 ? 0.1395 0.2166 0.3088 0.0092 0.0011 -0.0406 202 ALA F CA 8745 C C . ALA F 187 ? 0.2058 0.2776 0.3737 0.0075 0.0012 -0.0442 202 ALA F C 8746 O O . ALA F 187 ? 0.2118 0.2827 0.3784 0.0058 0.0035 -0.0426 202 ALA F O 8747 C CB . ALA F 187 ? 0.1498 0.2302 0.3134 0.0144 0.0008 -0.0367 202 ALA F CB 8748 N N . LEU F 188 ? 0.1595 0.2287 0.3279 0.0078 -0.0007 -0.0491 203 LEU F N 8749 C CA . LEU F 188 ? 0.1566 0.2189 0.3238 0.0056 0.0005 -0.0535 203 LEU F CA 8750 C C . LEU F 188 ? 0.2007 0.2608 0.3627 0.0078 -0.0009 -0.0579 203 LEU F C 8751 O O . LEU F 188 ? 0.1960 0.2624 0.3597 0.0090 -0.0042 -0.0600 203 LEU F O 8752 C CB . LEU F 188 ? 0.1537 0.2148 0.3282 0.0004 0.0004 -0.0569 203 LEU F CB 8753 C CG . LEU F 188 ? 0.2195 0.2726 0.3942 -0.0027 0.0029 -0.0610 203 LEU F CG 8754 C CD1 . LEU F 188 ? 0.2219 0.2721 0.3972 -0.0034 0.0066 -0.0575 203 LEU F CD1 8755 C CD2 . LEU F 188 ? 0.2421 0.2964 0.4233 -0.0070 0.0012 -0.0660 203 LEU F CD2 8756 N N . SER F 189 ? 0.1676 0.2191 0.3228 0.0086 0.0024 -0.0592 204 SER F N 8757 C CA . SER F 189 ? 0.1846 0.2315 0.3332 0.0095 0.0024 -0.0644 204 SER F CA 8758 C C . SER F 189 ? 0.2462 0.2832 0.3944 0.0040 0.0059 -0.0715 204 SER F C 8759 O O . SER F 189 ? 0.2307 0.2624 0.3816 0.0018 0.0097 -0.0706 204 SER F O 8760 C CB . SER F 189 ? 0.2305 0.2731 0.3686 0.0160 0.0047 -0.0599 204 SER F CB 8761 O OG . SER F 189 ? 0.3375 0.3694 0.4688 0.0171 0.0113 -0.0581 204 SER F OG 8762 N N . SER F 190 ? 0.2182 0.2538 0.3632 0.0016 0.0050 -0.0789 205 SER F N 8763 C CA . SER F 190 ? 0.2231 0.2489 0.3664 -0.0049 0.0092 -0.0873 205 SER F CA 8764 C C . SER F 190 ? 0.2927 0.3118 0.4252 -0.0047 0.0111 -0.0928 205 SER F C 8765 O O . SER F 190 ? 0.2882 0.3154 0.4176 -0.0006 0.0066 -0.0919 205 SER F O 8766 C CB . SER F 190 ? 0.2470 0.2822 0.4007 -0.0119 0.0053 -0.0933 205 SER F CB 8767 O OG . SER F 190 ? 0.3391 0.3646 0.4918 -0.0192 0.0101 -0.1015 205 SER F OG 8768 N N . ARG F 191 ? 0.2729 0.2762 0.3989 -0.0091 0.0185 -0.0987 206 ARG F N 8769 C CA . ARG F 191 ? 0.2851 0.2783 0.3990 -0.0105 0.0223 -0.1053 206 ARG F CA 8770 C C . ARG F 191 ? 0.3409 0.3315 0.4567 -0.0218 0.0243 -0.1180 206 ARG F C 8771 O O . ARG F 191 ? 0.3419 0.3281 0.4642 -0.0271 0.0276 -0.1201 206 ARG F O 8772 C CB . ARG F 191 ? 0.2876 0.2604 0.3877 -0.0046 0.0327 -0.1002 206 ARG F CB 8773 C CG . ARG F 191 ? 0.3875 0.3636 0.4842 0.0065 0.0321 -0.0873 206 ARG F CG 8774 C CD . ARG F 191 ? 0.4722 0.4525 0.5773 0.0082 0.0330 -0.0801 206 ARG F CD 8775 N NE . ARG F 191 ? 0.4968 0.4783 0.5965 0.0176 0.0357 -0.0686 206 ARG F NE 8776 C CZ . ARG F 191 ? 0.6191 0.6124 0.7269 0.0197 0.0327 -0.0616 206 ARG F CZ 8777 N NH1 . ARG F 191 ? 0.4849 0.4818 0.5875 0.0275 0.0355 -0.0518 206 ARG F NH1 8778 N NH2 . ARG F 191 ? 0.4540 0.4566 0.5748 0.0139 0.0271 -0.0645 206 ARG F NH2 8779 N N . LEU F 192 ? 0.2972 0.2919 0.4078 -0.0256 0.0220 -0.1265 207 LEU F N 8780 C CA . LEU F 192 ? 0.3032 0.2957 0.4133 -0.0378 0.0247 -0.1401 207 LEU F CA 8781 C C . LEU F 192 ? 0.3727 0.3487 0.4662 -0.0387 0.0315 -0.1460 207 LEU F C 8782 O O . LEU F 192 ? 0.3775 0.3616 0.4655 -0.0340 0.0265 -0.1456 207 LEU F O 8783 C CB . LEU F 192 ? 0.2926 0.3119 0.4139 -0.0438 0.0148 -0.1468 207 LEU F CB 8784 C CG . LEU F 192 ? 0.3674 0.3894 0.4865 -0.0572 0.0167 -0.1625 207 LEU F CG 8785 C CD1 . LEU F 192 ? 0.3684 0.3792 0.4922 -0.0675 0.0237 -0.1683 207 LEU F CD1 8786 C CD2 . LEU F 192 ? 0.4034 0.4566 0.5305 -0.0597 0.0064 -0.1672 207 LEU F CD2 8787 N N . ARG F 193 ? 0.3370 0.2883 0.4217 -0.0435 0.0438 -0.1504 208 ARG F N 8788 C CA . ARG F 193 ? 0.3563 0.2871 0.4230 -0.0450 0.0530 -0.1563 208 ARG F CA 8789 C C . ARG F 193 ? 0.4235 0.3519 0.4887 -0.0610 0.0565 -0.1736 208 ARG F C 8790 O O . ARG F 193 ? 0.4242 0.3472 0.4959 -0.0699 0.0616 -0.1790 208 ARG F O 8791 C CB . ARG F 193 ? 0.3276 0.2300 0.3820 -0.0376 0.0670 -0.1483 208 ARG F CB 8792 C CG . ARG F 193 ? 0.3747 0.2570 0.4085 -0.0340 0.0757 -0.1494 208 ARG F CG 8793 C CD . ARG F 193 ? 0.4416 0.3029 0.4639 -0.0218 0.0875 -0.1365 208 ARG F CD 8794 N NE . ARG F 193 ? 0.5322 0.3851 0.5382 -0.0122 0.0899 -0.1308 208 ARG F NE 8795 C CZ . ARG F 193 ? 0.6116 0.4430 0.6018 -0.0019 0.1029 -0.1214 208 ARG F CZ 8796 N NH1 . ARG F 193 ? 0.3908 0.2162 0.3663 0.0068 0.1042 -0.1159 208 ARG F NH1 8797 N NH2 . ARG F 193 ? 0.3846 0.2009 0.3729 0.0005 0.1151 -0.1166 208 ARG F NH2 8798 N N . VAL F 194 ? 0.3832 0.3172 0.4403 -0.0649 0.0537 -0.1824 209 VAL F N 8799 C CA . VAL F 194 ? 0.4028 0.3374 0.4567 -0.0812 0.0566 -0.2003 209 VAL F CA 8800 C C . VAL F 194 ? 0.4962 0.4046 0.5282 -0.0825 0.0677 -0.2063 209 VAL F C 8801 O O . VAL F 194 ? 0.4979 0.3893 0.5184 -0.0697 0.0726 -0.1952 209 VAL F O 8802 C CB . VAL F 194 ? 0.4372 0.4093 0.5028 -0.0868 0.0421 -0.2077 209 VAL F CB 8803 C CG1 . VAL F 194 ? 0.4104 0.4049 0.4959 -0.0879 0.0341 -0.2036 209 VAL F CG1 8804 C CG2 . VAL F 194 ? 0.4241 0.4117 0.4861 -0.0752 0.0328 -0.2016 209 VAL F CG2 8805 N N . SER F 195 ? 0.4744 0.3803 0.5001 -0.0980 0.0719 -0.2237 210 SER F N 8806 C CA . SER F 195 ? 0.5002 0.3827 0.5043 -0.1009 0.0821 -0.2314 210 SER F CA 8807 C C . SER F 195 ? 0.5380 0.4424 0.5396 -0.0939 0.0699 -0.2303 210 SER F C 8808 O O . SER F 195 ? 0.5008 0.4405 0.5179 -0.0933 0.0551 -0.2301 210 SER F O 8809 C CB . SER F 195 ? 0.5740 0.4473 0.5729 -0.1218 0.0913 -0.2517 210 SER F CB 8810 O OG . SER F 195 ? 0.6829 0.5910 0.6907 -0.1326 0.0787 -0.2643 210 SER F OG 8811 N N . ALA F 196 ? 0.5246 0.4087 0.5065 -0.0880 0.0765 -0.2293 211 ALA F N 8812 C CA . ALA F 196 ? 0.5221 0.4255 0.5005 -0.0809 0.0657 -0.2286 211 ALA F CA 8813 C C . ALA F 196 ? 0.5869 0.5199 0.5714 -0.0954 0.0570 -0.2461 211 ALA F C 8814 O O . ALA F 196 ? 0.5663 0.5330 0.5617 -0.0893 0.0426 -0.2431 211 ALA F O 8815 C CB . ALA F 196 ? 0.5569 0.4300 0.5111 -0.0742 0.0764 -0.2264 211 ALA F CB 8816 N N . THR F 197 ? 0.5719 0.4941 0.5505 -0.1145 0.0662 -0.2641 212 THR F N 8817 C CA . THR F 197 ? 0.5801 0.5315 0.5636 -0.1309 0.0594 -0.2827 212 THR F CA 8818 C C . THR F 197 ? 0.5971 0.5898 0.6052 -0.1325 0.0454 -0.2810 212 THR F C 8819 O O . THR F 197 ? 0.5905 0.6200 0.6054 -0.1365 0.0343 -0.2888 212 THR F O 8820 C CB . THR F 197 ? 0.7086 0.6364 0.6799 -0.1523 0.0744 -0.3023 212 THR F CB 8821 O OG1 . THR F 197 ? 0.7184 0.6272 0.6963 -0.1576 0.0838 -0.3001 212 THR F OG1 8822 C CG2 . THR F 197 ? 0.7128 0.6029 0.6573 -0.1520 0.0883 -0.3065 212 THR F CG2 8823 N N . PHE F 198 ? 0.5248 0.5123 0.5455 -0.1284 0.0463 -0.2702 213 PHE F N 8824 C CA . PHE F 198 ? 0.4880 0.5106 0.5308 -0.1285 0.0344 -0.2666 213 PHE F CA 8825 C C . PHE F 198 ? 0.5046 0.5546 0.5556 -0.1109 0.0205 -0.2529 213 PHE F C 8826 O O . PHE F 198 ? 0.4895 0.5777 0.5521 -0.1121 0.0095 -0.2559 213 PHE F O 8827 C CB . PHE F 198 ? 0.4966 0.5035 0.5491 -0.1285 0.0400 -0.2589 213 PHE F CB 8828 C CG . PHE F 198 ? 0.4912 0.5315 0.5643 -0.1332 0.0303 -0.2593 213 PHE F CG 8829 C CD1 . PHE F 198 ? 0.5367 0.5932 0.6149 -0.1518 0.0308 -0.2756 213 PHE F CD1 8830 C CD2 . PHE F 198 ? 0.4851 0.5414 0.5717 -0.1193 0.0212 -0.2434 213 PHE F CD2 8831 C CE1 . PHE F 198 ? 0.5254 0.6146 0.6221 -0.1550 0.0219 -0.2748 213 PHE F CE1 8832 C CE2 . PHE F 198 ? 0.5031 0.5894 0.6071 -0.1226 0.0131 -0.2430 213 PHE F CE2 8833 C CZ . PHE F 198 ? 0.4868 0.5897 0.5958 -0.1399 0.0134 -0.2581 213 PHE F CZ 8834 N N . TRP F 199 ? 0.4469 0.4785 0.4915 -0.0945 0.0219 -0.2379 214 TRP F N 8835 C CA . TRP F 199 ? 0.4247 0.4779 0.4757 -0.0778 0.0107 -0.2247 214 TRP F CA 8836 C C . TRP F 199 ? 0.4822 0.5569 0.5268 -0.0766 0.0042 -0.2322 214 TRP F C 8837 O O . TRP F 199 ? 0.4554 0.5638 0.5107 -0.0695 -0.0066 -0.2284 214 TRP F O 8838 C CB . TRP F 199 ? 0.4077 0.4353 0.4522 -0.0622 0.0149 -0.2079 214 TRP F CB 8839 C CG . TRP F 199 ? 0.4090 0.4525 0.4546 -0.0460 0.0060 -0.1966 214 TRP F CG 8840 C CD1 . TRP F 199 ? 0.4584 0.4921 0.4897 -0.0375 0.0072 -0.1940 214 TRP F CD1 8841 C CD2 . TRP F 199 ? 0.3815 0.4550 0.4429 -0.0371 -0.0048 -0.1876 214 TRP F CD2 8842 N NE1 . TRP F 199 ? 0.4364 0.4919 0.4745 -0.0236 -0.0023 -0.1835 214 TRP F NE1 8843 C CE2 . TRP F 199 ? 0.4311 0.5105 0.4874 -0.0231 -0.0093 -0.1795 214 TRP F CE2 8844 C CE3 . TRP F 199 ? 0.3769 0.4714 0.4554 -0.0390 -0.0102 -0.1851 214 TRP F CE3 8845 C CZ2 . TRP F 199 ? 0.3991 0.5032 0.4669 -0.0112 -0.0180 -0.1692 214 TRP F CZ2 8846 C CZ3 . TRP F 199 ? 0.3734 0.4920 0.4624 -0.0271 -0.0186 -0.1747 214 TRP F CZ3 8847 C CH2 . TRP F 199 ? 0.3791 0.5022 0.4628 -0.0137 -0.0221 -0.1672 214 TRP F CH2 8848 N N . GLN F 200 ? 0.4706 0.5258 0.4972 -0.0833 0.0117 -0.2429 215 GLN F N 8849 C CA . GLN F 200 ? 0.4790 0.5507 0.4968 -0.0823 0.0069 -0.2508 215 GLN F CA 8850 C C . GLN F 200 ? 0.5432 0.6547 0.5698 -0.0950 -0.0007 -0.2661 215 GLN F C 8851 O O . GLN F 200 ? 0.5470 0.6820 0.5699 -0.0921 -0.0072 -0.2712 215 GLN F O 8852 C CB . GLN F 200 ? 0.5262 0.5623 0.5208 -0.0867 0.0187 -0.2582 215 GLN F CB 8853 C CG . GLN F 200 ? 0.6546 0.6623 0.6390 -0.0690 0.0232 -0.2410 215 GLN F CG 8854 C CD . GLN F 200 ? 0.8763 0.8427 0.8371 -0.0728 0.0380 -0.2458 215 GLN F CD 8855 O OE1 . GLN F 200 ? 0.8415 0.7911 0.7939 -0.0896 0.0483 -0.2609 215 GLN F OE1 8856 N NE2 . GLN F 200 ? 0.7413 0.6896 0.6906 -0.0568 0.0406 -0.2324 215 GLN F NE2 8857 N N . ASN F 201 ? 0.5011 0.6226 0.5397 -0.1080 -0.0002 -0.2725 216 ASN F N 8858 C CA . ASN F 201 ? 0.4995 0.6627 0.5489 -0.1197 -0.0075 -0.2850 216 ASN F CA 8859 C C . ASN F 201 ? 0.5297 0.7312 0.5958 -0.1043 -0.0201 -0.2714 216 ASN F C 8860 O O . ASN F 201 ? 0.4969 0.6947 0.5746 -0.0971 -0.0211 -0.2583 216 ASN F O 8861 C CB . ASN F 201 ? 0.5019 0.6585 0.5576 -0.1385 -0.0011 -0.2953 216 ASN F CB 8862 C CG . ASN F 201 ? 0.7944 0.9949 0.8616 -0.1522 -0.0080 -0.3082 216 ASN F CG 8863 O OD1 . ASN F 201 ? 0.7437 0.9828 0.8130 -0.1498 -0.0171 -0.3125 216 ASN F OD1 8864 N ND2 . ASN F 201 ? 0.6827 0.8796 0.7576 -0.1667 -0.0032 -0.3147 216 ASN F ND2 8865 N N . PRO F 202 ? 0.4968 0.7343 0.5635 -0.0982 -0.0287 -0.2739 217 PRO F N 8866 C CA . PRO F 202 ? 0.4698 0.7410 0.5505 -0.0815 -0.0384 -0.2598 217 PRO F CA 8867 C C . PRO F 202 ? 0.5006 0.8071 0.5978 -0.0879 -0.0432 -0.2617 217 PRO F C 8868 O O . PRO F 202 ? 0.4686 0.8005 0.5771 -0.0741 -0.0493 -0.2492 217 PRO F O 8869 C CB . PRO F 202 ? 0.4970 0.7934 0.5709 -0.0730 -0.0442 -0.2629 217 PRO F CB 8870 C CG . PRO F 202 ? 0.5805 0.8496 0.6353 -0.0839 -0.0374 -0.2767 217 PRO F CG 8871 C CD . PRO F 202 ? 0.5393 0.7875 0.5931 -0.1048 -0.0292 -0.2888 217 PRO F CD 8872 N N . ARG F 203 ? 0.4737 0.7813 0.5717 -0.1085 -0.0395 -0.2771 218 ARG F N 8873 C CA . ARG F 203 ? 0.4601 0.7995 0.5729 -0.1168 -0.0430 -0.2800 218 ARG F CA 8874 C C . ARG F 203 ? 0.5000 0.8153 0.6220 -0.1146 -0.0393 -0.2682 218 ARG F C 8875 O O . ARG F 203 ? 0.4839 0.8226 0.6192 -0.1167 -0.0425 -0.2654 218 ARG F O 8876 C CB . ARG F 203 ? 0.4779 0.8284 0.5871 -0.1410 -0.0401 -0.3024 218 ARG F CB 8877 C CG . ARG F 203 ? 0.6033 0.9892 0.7060 -0.1447 -0.0452 -0.3155 218 ARG F CG 8878 C CD . ARG F 203 ? 0.7494 1.1449 0.8485 -0.1710 -0.0414 -0.3387 218 ARG F CD 8879 N NE . ARG F 203 ? 0.8554 1.2990 0.9526 -0.1752 -0.0483 -0.3512 218 ARG F NE 8880 C CZ . ARG F 203 ? 1.0308 1.5297 1.1407 -0.1759 -0.0564 -0.3526 218 ARG F CZ 8881 N NH1 . ARG F 203 ? 0.8737 1.4170 0.9807 -0.1792 -0.0622 -0.3641 218 ARG F NH1 8882 N NH2 . ARG F 203 ? 0.8782 1.3897 1.0035 -0.1725 -0.0584 -0.3419 218 ARG F NH2 8883 N N . ASN F 204 ? 0.4583 0.7280 0.5727 -0.1096 -0.0325 -0.2607 219 ASN F N 8884 C CA . ASN F 204 ? 0.4426 0.6864 0.5637 -0.1069 -0.0282 -0.2496 219 ASN F CA 8885 C C . ASN F 204 ? 0.4645 0.7143 0.5933 -0.0869 -0.0334 -0.2301 219 ASN F C 8886 O O . ASN F 204 ? 0.4569 0.7031 0.5797 -0.0734 -0.0353 -0.2224 219 ASN F O 8887 C CB . ASN F 204 ? 0.4514 0.6464 0.5602 -0.1114 -0.0173 -0.2513 219 ASN F CB 8888 C CG . ASN F 204 ? 0.6755 0.8571 0.7793 -0.1325 -0.0090 -0.2688 219 ASN F CG 8889 O OD1 . ASN F 204 ? 0.5966 0.7987 0.7102 -0.1449 -0.0104 -0.2768 219 ASN F OD1 8890 N ND2 . ASN F 204 ? 0.5805 0.7264 0.6683 -0.1371 0.0009 -0.2747 219 ASN F ND2 8891 N N . HIS F 205 ? 0.4030 0.6618 0.5450 -0.0855 -0.0349 -0.2224 220 HIS F N 8892 C CA . HIS F 205 ? 0.3804 0.6444 0.5303 -0.0686 -0.0384 -0.2046 220 HIS F CA 8893 C C . HIS F 205 ? 0.4146 0.6455 0.5671 -0.0677 -0.0330 -0.1958 220 HIS F C 8894 O O . HIS F 205 ? 0.4139 0.6365 0.5710 -0.0790 -0.0294 -0.2007 220 HIS F O 8895 C CB . HIS F 205 ? 0.3780 0.6839 0.5400 -0.0655 -0.0445 -0.2017 220 HIS F CB 8896 C CG . HIS F 205 ? 0.4010 0.7103 0.5703 -0.0493 -0.0462 -0.1840 220 HIS F CG 8897 N ND1 . HIS F 205 ? 0.4122 0.7254 0.5919 -0.0500 -0.0456 -0.1776 220 HIS F ND1 8898 C CD2 . HIS F 205 ? 0.4170 0.7254 0.5841 -0.0329 -0.0475 -0.1722 220 HIS F CD2 8899 C CE1 . HIS F 205 ? 0.3926 0.7059 0.5752 -0.0346 -0.0461 -0.1626 220 HIS F CE1 8900 N NE2 . HIS F 205 ? 0.3994 0.7100 0.5750 -0.0241 -0.0470 -0.1590 220 HIS F NE2 8901 N N . PHE F 206 ? 0.3471 0.5607 0.4969 -0.0541 -0.0324 -0.1828 221 PHE F N 8902 C CA . PHE F 206 ? 0.3281 0.5129 0.4795 -0.0507 -0.0277 -0.1729 221 PHE F CA 8903 C C . PHE F 206 ? 0.3484 0.5439 0.5081 -0.0375 -0.0312 -0.1582 221 PHE F C 8904 O O . PHE F 206 ? 0.3465 0.5523 0.5042 -0.0260 -0.0344 -0.1519 221 PHE F O 8905 C CB . PHE F 206 ? 0.3557 0.5088 0.4942 -0.0474 -0.0224 -0.1712 221 PHE F CB 8906 C CG . PHE F 206 ? 0.3912 0.5304 0.5181 -0.0585 -0.0172 -0.1850 221 PHE F CG 8907 C CD1 . PHE F 206 ? 0.4383 0.5903 0.5571 -0.0587 -0.0200 -0.1928 221 PHE F CD1 8908 C CD2 . PHE F 206 ? 0.4247 0.5363 0.5473 -0.0681 -0.0084 -0.1900 221 PHE F CD2 8909 C CE1 . PHE F 206 ? 0.4715 0.6085 0.5780 -0.0699 -0.0141 -0.2063 221 PHE F CE1 8910 C CE2 . PHE F 206 ? 0.4838 0.5790 0.5939 -0.0785 -0.0015 -0.2028 221 PHE F CE2 8911 C CZ . PHE F 206 ? 0.4696 0.5771 0.5714 -0.0799 -0.0044 -0.2112 221 PHE F CZ 8912 N N . ARG F 207 ? 0.2802 0.4730 0.4489 -0.0391 -0.0301 -0.1530 222 ARG F N 8913 C CA . ARG F 207 ? 0.2634 0.4630 0.4390 -0.0280 -0.0318 -0.1395 222 ARG F CA 8914 C C . ARG F 207 ? 0.3184 0.4917 0.4959 -0.0281 -0.0274 -0.1326 222 ARG F C 8915 O O . ARG F 207 ? 0.3225 0.4858 0.5029 -0.0374 -0.0244 -0.1372 222 ARG F O 8916 C CB . ARG F 207 ? 0.2494 0.4800 0.4345 -0.0278 -0.0353 -0.1389 222 ARG F CB 8917 C CG . ARG F 207 ? 0.3003 0.5352 0.4915 -0.0166 -0.0349 -0.1247 222 ARG F CG 8918 C CD . ARG F 207 ? 0.3360 0.6012 0.5350 -0.0151 -0.0371 -0.1229 222 ARG F CD 8919 N NE . ARG F 207 ? 0.3971 0.6627 0.6021 -0.0269 -0.0365 -0.1287 222 ARG F NE 8920 C CZ . ARG F 207 ? 0.4930 0.7472 0.7034 -0.0273 -0.0339 -0.1221 222 ARG F CZ 8921 N NH1 . ARG F 207 ? 0.2797 0.5351 0.4955 -0.0379 -0.0334 -0.1277 222 ARG F NH1 8922 N NH2 . ARG F 207 ? 0.3189 0.5603 0.5291 -0.0175 -0.0315 -0.1102 222 ARG F NH2 8923 N N . CYS F 208 ? 0.2691 0.4324 0.4449 -0.0180 -0.0266 -0.1218 223 CYS F N 8924 C CA . CYS F 208 ? 0.2651 0.4080 0.4428 -0.0171 -0.0229 -0.1145 223 CYS F CA 8925 C C . CYS F 208 ? 0.2939 0.4481 0.4802 -0.0125 -0.0239 -0.1062 223 CYS F C 8926 O O . CYS F 208 ? 0.2928 0.4594 0.4797 -0.0035 -0.0255 -0.0998 223 CYS F O 8927 C CB . CYS F 208 ? 0.2743 0.4002 0.4446 -0.0104 -0.0208 -0.1084 223 CYS F CB 8928 S SG . CYS F 208 ? 0.3217 0.4286 0.4946 -0.0089 -0.0166 -0.0991 223 CYS F SG 8929 N N . GLN F 209 ? 0.2300 0.3790 0.4224 -0.0182 -0.0221 -0.1061 224 GLN F N 8930 C CA . GLN F 209 ? 0.2117 0.3690 0.4112 -0.0147 -0.0221 -0.0986 224 GLN F CA 8931 C C . GLN F 209 ? 0.2419 0.3793 0.4421 -0.0131 -0.0185 -0.0912 224 GLN F C 8932 O O . GLN F 209 ? 0.2378 0.3581 0.4367 -0.0182 -0.0160 -0.0937 224 GLN F O 8933 C CB . GLN F 209 ? 0.2291 0.3986 0.4353 -0.0224 -0.0230 -0.1041 224 GLN F CB 8934 C CG . GLN F 209 ? 0.3705 0.5504 0.5833 -0.0184 -0.0226 -0.0962 224 GLN F CG 8935 C CD . GLN F 209 ? 0.4835 0.6770 0.7028 -0.0259 -0.0237 -0.1012 224 GLN F CD 8936 O OE1 . GLN F 209 ? 0.4153 0.6334 0.6362 -0.0272 -0.0268 -0.1058 224 GLN F OE1 8937 N NE2 . GLN F 209 ? 0.2965 0.4757 0.5198 -0.0308 -0.0213 -0.1004 224 GLN F NE2 8938 N N . VAL F 210 ? 0.1809 0.3210 0.3825 -0.0058 -0.0174 -0.0821 225 VAL F N 8939 C CA . VAL F 210 ? 0.1673 0.2915 0.3695 -0.0051 -0.0139 -0.0756 225 VAL F CA 8940 C C . VAL F 210 ? 0.1919 0.3220 0.3992 -0.0033 -0.0122 -0.0700 225 VAL F C 8941 O O . VAL F 210 ? 0.1849 0.3236 0.3915 0.0038 -0.0108 -0.0640 225 VAL F O 8942 C CB . VAL F 210 ? 0.2120 0.3276 0.4089 0.0004 -0.0123 -0.0702 225 VAL F CB 8943 C CG1 . VAL F 210 ? 0.2005 0.3030 0.3983 -0.0005 -0.0087 -0.0646 225 VAL F CG1 8944 C CG2 . VAL F 210 ? 0.2142 0.3226 0.4050 -0.0006 -0.0133 -0.0746 225 VAL F CG2 8945 N N . GLN F 211 ? 0.1376 0.2621 0.3494 -0.0091 -0.0114 -0.0714 226 GLN F N 8946 C CA . GLN F 211 ? 0.1288 0.2554 0.3445 -0.0075 -0.0091 -0.0656 226 GLN F CA 8947 C C . GLN F 211 ? 0.1669 0.2777 0.3801 -0.0056 -0.0051 -0.0594 226 GLN F C 8948 O O . GLN F 211 ? 0.1584 0.2555 0.3707 -0.0095 -0.0044 -0.0612 226 GLN F O 8949 C CB . GLN F 211 ? 0.1464 0.2730 0.3680 -0.0143 -0.0098 -0.0694 226 GLN F CB 8950 C CG . GLN F 211 ? 0.1789 0.3031 0.4036 -0.0127 -0.0068 -0.0626 226 GLN F CG 8951 C CD . GLN F 211 ? 0.2608 0.4032 0.4864 -0.0065 -0.0062 -0.0571 226 GLN F CD 8952 O OE1 . GLN F 211 ? 0.1973 0.3379 0.4193 0.0004 -0.0021 -0.0493 226 GLN F OE1 8953 N NE2 . GLN F 211 ? 0.0663 0.2269 0.2961 -0.0089 -0.0091 -0.0609 226 GLN F NE2 8954 N N . PHE F 212 ? 0.1163 0.2297 0.3274 0.0006 -0.0018 -0.0524 227 PHE F N 8955 C CA . PHE F 212 ? 0.1059 0.2052 0.3140 0.0015 0.0030 -0.0472 227 PHE F CA 8956 C C . PHE F 212 ? 0.1481 0.2434 0.3577 0.0015 0.0070 -0.0425 227 PHE F C 8957 O O . PHE F 212 ? 0.1463 0.2526 0.3569 0.0059 0.0081 -0.0392 227 PHE F O 8958 C CB . PHE F 212 ? 0.1265 0.2281 0.3298 0.0081 0.0058 -0.0428 227 PHE F CB 8959 C CG . PHE F 212 ? 0.1379 0.2262 0.3377 0.0082 0.0122 -0.0377 227 PHE F CG 8960 C CD1 . PHE F 212 ? 0.1687 0.2467 0.3667 0.0035 0.0122 -0.0395 227 PHE F CD1 8961 C CD2 . PHE F 212 ? 0.1534 0.2402 0.3508 0.0130 0.0191 -0.0312 227 PHE F CD2 8962 C CE1 . PHE F 212 ? 0.1723 0.2399 0.3670 0.0018 0.0182 -0.0360 227 PHE F CE1 8963 C CE2 . PHE F 212 ? 0.1868 0.2596 0.3800 0.0115 0.0262 -0.0276 227 PHE F CE2 8964 C CZ . PHE F 212 ? 0.1609 0.2249 0.3532 0.0051 0.0253 -0.0307 227 PHE F CZ 8965 N N . TYR F 213 ? 0.1131 0.1939 0.3223 -0.0028 0.0094 -0.0418 228 TYR F N 8966 C CA . TYR F 213 ? 0.1237 0.1974 0.3330 -0.0031 0.0139 -0.0372 228 TYR F CA 8967 C C . TYR F 213 ? 0.1966 0.2597 0.3998 -0.0017 0.0207 -0.0325 228 TYR F C 8968 O O . TYR F 213 ? 0.1879 0.2432 0.3891 -0.0056 0.0212 -0.0345 228 TYR F O 8969 C CB . TYR F 213 ? 0.1307 0.1966 0.3440 -0.0091 0.0121 -0.0403 228 TYR F CB 8970 C CG . TYR F 213 ? 0.1433 0.2182 0.3626 -0.0111 0.0073 -0.0448 228 TYR F CG 8971 C CD1 . TYR F 213 ? 0.1614 0.2434 0.3842 -0.0098 0.0074 -0.0425 228 TYR F CD1 8972 C CD2 . TYR F 213 ? 0.1588 0.2349 0.3795 -0.0144 0.0034 -0.0514 228 TYR F CD2 8973 C CE1 . TYR F 213 ? 0.1583 0.2498 0.3870 -0.0131 0.0034 -0.0474 228 TYR F CE1 8974 C CE2 . TYR F 213 ? 0.1702 0.2529 0.3957 -0.0177 0.0003 -0.0566 228 TYR F CE2 8975 C CZ . TYR F 213 ? 0.2562 0.3472 0.4861 -0.0176 0.0001 -0.0550 228 TYR F CZ 8976 O OH . TYR F 213 ? 0.2839 0.3828 0.5190 -0.0221 -0.0027 -0.0608 228 TYR F OH 8977 N N . GLY F 214 ? 0.1834 0.2479 0.3833 0.0043 0.0266 -0.0263 229 GLY F N 8978 C CA . GLY F 214 ? 0.2001 0.2530 0.3931 0.0060 0.0354 -0.0216 229 GLY F CA 8979 C C . GLY F 214 ? 0.2965 0.3393 0.4859 0.0071 0.0431 -0.0161 229 GLY F C 8980 O O . GLY F 214 ? 0.2834 0.3215 0.4754 0.0028 0.0412 -0.0173 229 GLY F O 8981 N N . LEU F 215 ? 0.3074 0.3455 0.4901 0.0132 0.0526 -0.0096 230 LEU F N 8982 C CA . LEU F 215 ? 0.3337 0.3600 0.5103 0.0158 0.0624 -0.0030 230 LEU F CA 8983 C C . LEU F 215 ? 0.4482 0.4868 0.6262 0.0240 0.0626 0.0030 230 LEU F C 8984 O O . LEU F 215 ? 0.4324 0.4908 0.6153 0.0287 0.0565 0.0025 230 LEU F O 8985 C CB . LEU F 215 ? 0.3440 0.3574 0.5113 0.0191 0.0751 0.0016 230 LEU F CB 8986 C CG . LEU F 215 ? 0.3988 0.4078 0.5649 0.0146 0.0756 -0.0028 230 LEU F CG 8987 C CD1 . LEU F 215 ? 0.4159 0.4110 0.5723 0.0187 0.0904 0.0029 230 LEU F CD1 8988 C CD2 . LEU F 215 ? 0.4047 0.4060 0.5729 0.0022 0.0708 -0.0103 230 LEU F CD2 8989 N N . SER F 216 ? 0.4671 0.4948 0.6404 0.0255 0.0697 0.0085 231 SER F N 8990 C CA . SER F 216 ? 0.4895 0.5286 0.6629 0.0339 0.0715 0.0160 231 SER F CA 8991 C C . SER F 216 ? 0.6047 0.6411 0.7680 0.0457 0.0853 0.0269 231 SER F C 8992 O O . SER F 216 ? 0.6096 0.6344 0.7659 0.0475 0.0940 0.0285 231 SER F O 8993 C CB . SER F 216 ? 0.5340 0.5649 0.7092 0.0292 0.0699 0.0161 231 SER F CB 8994 O OG . SER F 216 ? 0.6471 0.6549 0.8175 0.0215 0.0743 0.0132 231 SER F OG 8995 N N . GLU F 217 ? 0.5974 0.6459 0.7599 0.0544 0.0876 0.0349 232 GLU F N 8996 C CA . GLU F 217 ? 0.6203 0.6664 0.7720 0.0675 0.1024 0.0475 232 GLU F CA 8997 C C . GLU F 217 ? 0.7024 0.7162 0.8428 0.0646 0.1152 0.0508 232 GLU F C 8998 O O . GLU F 217 ? 0.7138 0.7155 0.8424 0.0733 0.1306 0.0597 232 GLU F O 8999 C CB . GLU F 217 ? 0.6358 0.7037 0.7898 0.0761 0.1009 0.0552 232 GLU F CB 9000 N N . ASN F 218 ? 0.6667 0.6672 0.8106 0.0525 0.1091 0.0435 233 ASN F N 9001 C CA . ASN F 218 ? 0.6847 0.6559 0.8188 0.0471 0.1192 0.0442 233 ASN F CA 9002 C C . ASN F 218 ? 0.7610 0.7139 0.8867 0.0442 0.1297 0.0423 233 ASN F C 9003 O O . ASN F 218 ? 0.7765 0.7076 0.8890 0.0470 0.1456 0.0482 233 ASN F O 9004 C CB . ASN F 218 ? 0.6901 0.6571 0.8326 0.0336 0.1075 0.0338 233 ASN F CB 9005 C CG . ASN F 218 ? 1.0081 0.9475 1.1420 0.0251 0.1154 0.0313 233 ASN F CG 9006 O OD1 . ASN F 218 ? 0.9373 0.8604 1.0631 0.0209 0.1245 0.0291 233 ASN F OD1 9007 N ND2 . ASN F 218 ? 0.8915 0.8263 1.0274 0.0218 0.1117 0.0309 233 ASN F ND2 9008 N N . ASP F 219 ? 0.7104 0.6717 0.8434 0.0380 0.1210 0.0337 234 ASP F N 9009 C CA . ASP F 219 ? 0.7096 0.6547 0.8378 0.0302 0.1268 0.0282 234 ASP F CA 9010 C C . ASP F 219 ? 0.7460 0.6841 0.8643 0.0400 0.1421 0.0358 234 ASP F C 9011 O O . ASP F 219 ? 0.7401 0.6938 0.8586 0.0532 0.1440 0.0436 234 ASP F O 9012 C CB . ASP F 219 ? 0.7200 0.6782 0.8592 0.0218 0.1124 0.0179 234 ASP F CB 9013 C CG . ASP F 219 ? 0.8673 0.8410 1.0179 0.0182 0.0968 0.0131 234 ASP F CG 9014 O OD1 . ASP F 219 ? 0.8787 0.8687 1.0337 0.0261 0.0926 0.0175 234 ASP F OD1 9015 O OD2 . ASP F 219 ? 0.9333 0.9040 1.0886 0.0076 0.0895 0.0050 234 ASP F OD2 9016 N N . GLU F 220 ? 0.6955 0.6111 0.8051 0.0335 0.1538 0.0334 235 GLU F N 9017 C CA . GLU F 220 ? 0.7009 0.6070 0.8008 0.0423 0.1701 0.0401 235 GLU F CA 9018 C C . GLU F 220 ? 0.7101 0.6247 0.8156 0.0399 0.1658 0.0346 235 GLU F C 9019 O O . GLU F 220 ? 0.6948 0.6056 0.8041 0.0266 0.1596 0.0250 235 GLU F O 9020 C CB . GLU F 220 ? 0.7433 0.6165 0.8281 0.0372 0.1891 0.0416 235 GLU F CB 9021 N N . TRP F 221 ? 0.6458 0.5732 0.7513 0.0536 0.1695 0.0415 236 TRP F N 9022 C CA . TRP F 221 ? 0.6248 0.5621 0.7359 0.0534 0.1648 0.0373 236 TRP F CA 9023 C C . TRP F 221 ? 0.6992 0.6213 0.7998 0.0615 0.1845 0.0440 236 TRP F C 9024 O O . TRP F 221 ? 0.7015 0.6278 0.7963 0.0778 0.1952 0.0550 236 TRP F O 9025 C CB . TRP F 221 ? 0.5802 0.5494 0.7024 0.0617 0.1493 0.0376 236 TRP F CB 9026 C CG . TRP F 221 ? 0.5742 0.5537 0.7031 0.0593 0.1411 0.0317 236 TRP F CG 9027 C CD1 . TRP F 221 ? 0.6096 0.6023 0.7393 0.0712 0.1432 0.0361 236 TRP F CD1 9028 C CD2 . TRP F 221 ? 0.5598 0.5370 0.6947 0.0447 0.1307 0.0212 236 TRP F CD2 9029 N NE1 . TRP F 221 ? 0.5918 0.5897 0.7277 0.0648 0.1341 0.0289 236 TRP F NE1 9030 C CE2 . TRP F 221 ? 0.6020 0.5906 0.7408 0.0487 0.1267 0.0200 236 TRP F CE2 9031 C CE3 . TRP F 221 ? 0.5691 0.5372 0.7060 0.0296 0.1246 0.0133 236 TRP F CE3 9032 C CZ2 . TRP F 221 ? 0.5819 0.5727 0.7263 0.0381 0.1170 0.0117 236 TRP F CZ2 9033 C CZ3 . TRP F 221 ? 0.5776 0.5494 0.7200 0.0195 0.1154 0.0050 236 TRP F CZ3 9034 C CH2 . TRP F 221 ? 0.5804 0.5631 0.7263 0.0237 0.1118 0.0046 236 TRP F CH2 9035 N N . THR F 222 ? 0.6649 0.5702 0.7629 0.0501 0.1901 0.0376 237 THR F N 9036 C CA . THR F 222 ? 0.6828 0.5692 0.7706 0.0548 0.2104 0.0423 237 THR F CA 9037 C C . THR F 222 ? 0.7273 0.6241 0.8217 0.0553 0.2060 0.0391 237 THR F C 9038 O O . THR F 222 ? 0.7515 0.6316 0.8390 0.0558 0.2217 0.0408 237 THR F O 9039 C CB . THR F 222 ? 0.7851 0.6394 0.8621 0.0403 0.2247 0.0377 237 THR F CB 9040 O OG1 . THR F 222 ? 0.7663 0.6228 0.8506 0.0215 0.2117 0.0250 237 THR F OG1 9041 C CG2 . THR F 222 ? 0.7692 0.6090 0.8369 0.0422 0.2330 0.0428 237 THR F CG2 9042 N N . GLN F 223 ? 0.6465 0.5696 0.7535 0.0555 0.1859 0.0348 238 GLN F N 9043 C CA . GLN F 223 ? 0.6335 0.5678 0.7466 0.0571 0.1804 0.0323 238 GLN F CA 9044 C C . GLN F 223 ? 0.6782 0.6320 0.7928 0.0771 0.1809 0.0413 238 GLN F C 9045 O O . GLN F 223 ? 0.6662 0.6354 0.7825 0.0861 0.1759 0.0457 238 GLN F O 9046 C CB . GLN F 223 ? 0.6274 0.5766 0.7515 0.0448 0.1595 0.0220 238 GLN F CB 9047 C CG . GLN F 223 ? 0.8008 0.7364 0.9242 0.0257 0.1572 0.0132 238 GLN F CG 9048 C CD . GLN F 223 ? 1.0704 0.9879 1.1885 0.0152 0.1692 0.0096 238 GLN F CD 9049 O OE1 . GLN F 223 ? 1.0228 0.9175 1.1312 0.0095 0.1847 0.0098 238 GLN F OE1 9050 N NE2 . GLN F 223 ? 0.9699 0.8968 1.0936 0.0118 0.1627 0.0058 238 GLN F NE2 9051 N N . ASP F 224 ? 0.6390 0.5937 0.7533 0.0842 0.1873 0.0439 239 ASP F N 9052 C CA . ASP F 224 ? 0.6310 0.6047 0.7464 0.1041 0.1894 0.0524 239 ASP F CA 9053 C C . ASP F 224 ? 0.6228 0.6283 0.7480 0.1087 0.1690 0.0501 239 ASP F C 9054 O O . ASP F 224 ? 0.6265 0.6491 0.7509 0.1232 0.1704 0.0575 239 ASP F O 9055 C CB . ASP F 224 ? 0.6641 0.6342 0.7799 0.1074 0.1954 0.0529 239 ASP F CB 9056 C CG . ASP F 224 ? 0.8652 0.8097 0.9697 0.1130 0.2209 0.0600 239 ASP F CG 9057 O OD1 . ASP F 224 ? 0.8863 0.8180 0.9812 0.1193 0.2359 0.0671 239 ASP F OD1 9058 O OD2 . ASP F 224 ? 0.9737 0.9108 1.0785 0.1120 0.2268 0.0591 239 ASP F OD2 9059 N N . ARG F 225 ? 0.5174 0.5309 0.6514 0.0961 0.1510 0.0400 240 ARG F N 9060 C CA . ARG F 225 ? 0.4757 0.5157 0.6187 0.0972 0.1319 0.0357 240 ARG F CA 9061 C C . ARG F 225 ? 0.4817 0.5313 0.6259 0.0975 0.1267 0.0364 240 ARG F C 9062 O O . ARG F 225 ? 0.4800 0.5143 0.6182 0.0957 0.1366 0.0399 240 ARG F O 9063 C CB . ARG F 225 ? 0.4426 0.4826 0.5921 0.0824 0.1172 0.0252 240 ARG F CB 9064 C CG . ARG F 225 ? 0.4990 0.5220 0.6481 0.0655 0.1157 0.0189 240 ARG F CG 9065 C CD . ARG F 225 ? 0.5052 0.5309 0.6598 0.0539 0.1034 0.0105 240 ARG F CD 9066 N NE . ARG F 225 ? 0.4653 0.4775 0.6195 0.0383 0.1026 0.0047 240 ARG F NE 9067 C CZ . ARG F 225 ? 0.5426 0.5593 0.7009 0.0309 0.0919 -0.0004 240 ARG F CZ 9068 N NH1 . ARG F 225 ? 0.2676 0.3007 0.4308 0.0364 0.0816 -0.0008 240 ARG F NH1 9069 N NH2 . ARG F 225 ? 0.3802 0.3859 0.5376 0.0178 0.0921 -0.0053 240 ARG F NH2 9070 N N . ALA F 226 ? 0.4060 0.4805 0.5575 0.0995 0.1116 0.0329 241 ALA F N 9071 C CA . ALA F 226 ? 0.3878 0.4751 0.5422 0.0988 0.1048 0.0325 241 ALA F CA 9072 C C . ALA F 226 ? 0.4081 0.4783 0.5637 0.0829 0.1005 0.0263 241 ALA F C 9073 O O . ALA F 226 ? 0.3996 0.4581 0.5571 0.0713 0.0959 0.0193 241 ALA F O 9074 C CB . ALA F 226 ? 0.3830 0.4986 0.5452 0.1008 0.0893 0.0275 241 ALA F CB 9075 N N . LYS F 227 ? 0.3416 0.4115 0.4958 0.0831 0.1026 0.0294 242 LYS F N 9076 C CA . LYS F 227 ? 0.3249 0.3800 0.4802 0.0696 0.0988 0.0242 242 LYS F CA 9077 C C . LYS F 227 ? 0.3563 0.4238 0.5213 0.0602 0.0812 0.0143 242 LYS F C 9078 O O . LYS F 227 ? 0.3417 0.4315 0.5119 0.0647 0.0728 0.0134 242 LYS F O 9079 C CB . LYS F 227 ? 0.3490 0.4020 0.5002 0.0740 0.1055 0.0310 242 LYS F CB 9080 C CG . LYS F 227 ? 0.3720 0.4072 0.5232 0.0612 0.1037 0.0267 242 LYS F CG 9081 C CD . LYS F 227 ? 0.4661 0.4981 0.6120 0.0672 0.1117 0.0348 242 LYS F CD 9082 C CE . LYS F 227 ? 0.5481 0.5615 0.6929 0.0558 0.1111 0.0313 242 LYS F CE 9083 N NZ . LYS F 227 ? 0.6182 0.6286 0.7572 0.0629 0.1191 0.0403 242 LYS F NZ 9084 N N . PRO F 228 ? 0.3033 0.3575 0.4702 0.0473 0.0765 0.0069 243 PRO F N 9085 C CA . PRO F 228 ? 0.2834 0.3474 0.4582 0.0396 0.0618 -0.0016 243 PRO F CA 9086 C C . PRO F 228 ? 0.3080 0.3746 0.4869 0.0348 0.0562 -0.0038 243 PRO F C 9087 O O . PRO F 228 ? 0.2894 0.3457 0.4701 0.0249 0.0527 -0.0086 243 PRO F O 9088 C CB . PRO F 228 ? 0.3054 0.3554 0.4792 0.0298 0.0614 -0.0066 243 PRO F CB 9089 C CG . PRO F 228 ? 0.3713 0.4017 0.5381 0.0274 0.0743 -0.0028 243 PRO F CG 9090 C CD . PRO F 228 ? 0.3260 0.3570 0.4874 0.0394 0.0852 0.0061 243 PRO F CD 9091 N N . VAL F 229 ? 0.2569 0.3394 0.4373 0.0425 0.0555 0.0001 244 VAL F N 9092 C CA . VAL F 229 ? 0.2400 0.3288 0.4246 0.0399 0.0508 -0.0006 244 VAL F CA 9093 C C . VAL F 229 ? 0.2700 0.3704 0.4626 0.0331 0.0378 -0.0097 244 VAL F C 9094 O O . VAL F 229 ? 0.2713 0.3778 0.4653 0.0326 0.0328 -0.0142 244 VAL F O 9095 C CB . VAL F 229 ? 0.2874 0.3914 0.4701 0.0511 0.0560 0.0079 244 VAL F CB 9096 C CG1 . VAL F 229 ? 0.2944 0.3812 0.4681 0.0564 0.0703 0.0172 244 VAL F CG1 9097 C CG2 . VAL F 229 ? 0.2830 0.4099 0.4662 0.0612 0.0548 0.0097 244 VAL F CG2 9098 N N . THR F 230 ? 0.2079 0.3103 0.4052 0.0281 0.0334 -0.0120 245 THR F N 9099 C CA . THR F 230 ? 0.1909 0.3025 0.3954 0.0213 0.0232 -0.0204 245 THR F CA 9100 C C . THR F 230 ? 0.2339 0.3700 0.4404 0.0269 0.0192 -0.0215 245 THR F C 9101 O O . THR F 230 ? 0.2359 0.3870 0.4418 0.0344 0.0223 -0.0156 245 THR F O 9102 C CB . THR F 230 ? 0.2553 0.3626 0.4639 0.0161 0.0217 -0.0211 245 THR F CB 9103 O OG1 . THR F 230 ? 0.2211 0.3067 0.4270 0.0112 0.0253 -0.0207 245 THR F OG1 9104 C CG2 . THR F 230 ? 0.2370 0.3529 0.4528 0.0091 0.0130 -0.0296 245 THR F CG2 9105 N N . GLN F 231 ? 0.1782 0.3188 0.3861 0.0240 0.0131 -0.0285 246 GLN F N 9106 C CA . GLN F 231 ? 0.1686 0.3319 0.3774 0.0286 0.0091 -0.0309 246 GLN F CA 9107 C C . GLN F 231 ? 0.2023 0.3671 0.4133 0.0212 0.0012 -0.0412 246 GLN F C 9108 O O . GLN F 231 ? 0.1818 0.3291 0.3926 0.0147 0.0000 -0.0450 246 GLN F O 9109 C CB . GLN F 231 ? 0.1863 0.3520 0.3895 0.0391 0.0147 -0.0246 246 GLN F CB 9110 C CG . GLN F 231 ? 0.2684 0.4153 0.4682 0.0367 0.0158 -0.0260 246 GLN F CG 9111 C CD . GLN F 231 ? 0.4716 0.6183 0.6663 0.0467 0.0231 -0.0190 246 GLN F CD 9112 O OE1 . GLN F 231 ? 0.4189 0.5784 0.6127 0.0528 0.0210 -0.0197 246 GLN F OE1 9113 N NE2 . GLN F 231 ? 0.3603 0.4916 0.5508 0.0487 0.0325 -0.0124 246 GLN F NE2 9114 N N . ILE F 232 ? 0.1673 0.3539 0.3796 0.0231 -0.0032 -0.0453 247 ILE F N 9115 C CA . ILE F 232 ? 0.1687 0.3572 0.3814 0.0169 -0.0093 -0.0552 247 ILE F CA 9116 C C . ILE F 232 ? 0.2410 0.4365 0.4491 0.0245 -0.0096 -0.0541 247 ILE F C 9117 O O . ILE F 232 ? 0.2538 0.4684 0.4611 0.0337 -0.0079 -0.0495 247 ILE F O 9118 C CB . ILE F 232 ? 0.2062 0.4132 0.4236 0.0103 -0.0142 -0.0629 247 ILE F CB 9119 C CG1 . ILE F 232 ? 0.2044 0.3980 0.4263 0.0008 -0.0143 -0.0660 247 ILE F CG1 9120 C CG2 . ILE F 232 ? 0.2199 0.4352 0.4355 0.0065 -0.0192 -0.0727 247 ILE F CG2 9121 C CD1 . ILE F 232 ? 0.2867 0.4984 0.5143 -0.0057 -0.0174 -0.0719 247 ILE F CD1 9122 N N . VAL F 233 ? 0.1944 0.3749 0.3992 0.0217 -0.0110 -0.0576 248 VAL F N 9123 C CA . VAL F 233 ? 0.1901 0.3750 0.3904 0.0281 -0.0119 -0.0574 248 VAL F CA 9124 C C . VAL F 233 ? 0.2394 0.4249 0.4383 0.0210 -0.0175 -0.0677 248 VAL F C 9125 O O . VAL F 233 ? 0.2242 0.3939 0.4232 0.0125 -0.0182 -0.0723 248 VAL F O 9126 C CB . VAL F 233 ? 0.2334 0.4009 0.4299 0.0324 -0.0074 -0.0508 248 VAL F CB 9127 C CG1 . VAL F 233 ? 0.2303 0.4054 0.4228 0.0409 -0.0079 -0.0493 248 VAL F CG1 9128 C CG2 . VAL F 233 ? 0.2307 0.3928 0.4277 0.0367 -0.0002 -0.0420 248 VAL F CG2 9129 N N . SER F 234 ? 0.2074 0.4118 0.4046 0.0247 -0.0208 -0.0715 249 SER F N 9130 C CA . SER F 234 ? 0.2105 0.4162 0.4048 0.0179 -0.0251 -0.0821 249 SER F CA 9131 C C . SER F 234 ? 0.2700 0.4790 0.4582 0.0248 -0.0266 -0.0823 249 SER F C 9132 O O . SER F 234 ? 0.2690 0.4868 0.4565 0.0358 -0.0250 -0.0749 249 SER F O 9133 C CB . SER F 234 ? 0.2543 0.4830 0.4524 0.0124 -0.0284 -0.0896 249 SER F CB 9134 O OG . SER F 234 ? 0.3641 0.5900 0.5679 0.0056 -0.0273 -0.0899 249 SER F OG 9135 N N . ALA F 235 ? 0.2328 0.4330 0.4159 0.0187 -0.0288 -0.0905 250 ALA F N 9136 C CA . ALA F 235 ? 0.2397 0.4420 0.4158 0.0236 -0.0307 -0.0926 250 ALA F CA 9137 C C . ALA F 235 ? 0.3117 0.5189 0.4844 0.0141 -0.0334 -0.1055 250 ALA F C 9138 O O . ALA F 235 ? 0.2983 0.4920 0.4711 0.0034 -0.0321 -0.1116 250 ALA F O 9139 C CB . ALA F 235 ? 0.2491 0.4277 0.4199 0.0263 -0.0283 -0.0876 250 ALA F CB 9140 N N . GLU F 236 ? 0.2906 0.5179 0.4602 0.0177 -0.0367 -0.1101 251 GLU F N 9141 C CA . GLU F 236 ? 0.3070 0.5411 0.4730 0.0073 -0.0389 -0.1237 251 GLU F CA 9142 C C . GLU F 236 ? 0.3689 0.5998 0.5247 0.0101 -0.0401 -0.1283 251 GLU F C 9143 O O . GLU F 236 ? 0.3595 0.5910 0.5124 0.0221 -0.0404 -0.1205 251 GLU F O 9144 C CB . GLU F 236 ? 0.3276 0.5954 0.5000 0.0049 -0.0421 -0.1285 251 GLU F CB 9145 C CG . GLU F 236 ? 0.4714 0.7684 0.6453 0.0186 -0.0443 -0.1223 251 GLU F CG 9146 C CD . GLU F 236 ? 0.7063 1.0410 0.8851 0.0162 -0.0475 -0.1282 251 GLU F CD 9147 O OE1 . GLU F 236 ? 0.7117 1.0697 0.8870 0.0194 -0.0507 -0.1335 251 GLU F OE1 9148 O OE2 . GLU F 236 ? 0.5566 0.8989 0.7425 0.0110 -0.0469 -0.1274 251 GLU F OE2 9149 N N . ALA F 237 ? 0.3455 0.5714 0.4953 -0.0015 -0.0398 -0.1412 252 ALA F N 9150 C CA . ALA F 237 ? 0.3620 0.5834 0.5006 -0.0013 -0.0402 -0.1479 252 ALA F CA 9151 C C . ALA F 237 ? 0.4372 0.6667 0.5720 -0.0160 -0.0405 -0.1645 252 ALA F C 9152 O O . ALA F 237 ? 0.4295 0.6503 0.5670 -0.0286 -0.0376 -0.1711 252 ALA F O 9153 C CB . ALA F 237 ? 0.3755 0.5624 0.5051 0.0006 -0.0356 -0.1433 252 ALA F CB 9154 N N . TRP F 238 ? 0.4193 0.6658 0.5478 -0.0144 -0.0436 -0.1714 253 TRP F N 9155 C CA . TRP F 238 ? 0.4438 0.6985 0.5666 -0.0286 -0.0435 -0.1885 253 TRP F CA 9156 C C . TRP F 238 ? 0.5255 0.7491 0.6328 -0.0314 -0.0386 -0.1936 253 TRP F C 9157 O O . TRP F 238 ? 0.5099 0.7174 0.6116 -0.0191 -0.0377 -0.1833 253 TRP F O 9158 C CB . TRP F 238 ? 0.4286 0.7261 0.5539 -0.0250 -0.0500 -0.1935 253 TRP F CB 9159 C CG . TRP F 238 ? 0.4300 0.7604 0.5691 -0.0234 -0.0536 -0.1896 253 TRP F CG 9160 C CD1 . TRP F 238 ? 0.4498 0.7921 0.5972 -0.0083 -0.0550 -0.1745 253 TRP F CD1 9161 C CD2 . TRP F 238 ? 0.4342 0.7881 0.5796 -0.0374 -0.0549 -0.2007 253 TRP F CD2 9162 N NE1 . TRP F 238 ? 0.4370 0.8083 0.5947 -0.0110 -0.0569 -0.1746 253 TRP F NE1 9163 C CE2 . TRP F 238 ? 0.4687 0.8493 0.6259 -0.0288 -0.0575 -0.1904 253 TRP F CE2 9164 C CE3 . TRP F 238 ? 0.4699 0.8247 0.6116 -0.0569 -0.0535 -0.2183 253 TRP F CE3 9165 C CZ2 . TRP F 238 ? 0.4618 0.8722 0.6276 -0.0381 -0.0594 -0.1964 253 TRP F CZ2 9166 C CZ3 . TRP F 238 ? 0.4912 0.8763 0.6421 -0.0674 -0.0557 -0.2253 253 TRP F CZ3 9167 C CH2 . TRP F 238 ? 0.4822 0.8955 0.6452 -0.0576 -0.0590 -0.2139 253 TRP F CH2 9168 N N . GLY F 239 ? 0.5233 0.7380 0.6232 -0.0474 -0.0346 -0.2090 254 GLY F N 9169 C CA . GLY F 239 ? 0.5513 0.7357 0.6344 -0.0508 -0.0282 -0.2149 254 GLY F CA 9170 C C . GLY F 239 ? 0.6313 0.8288 0.7054 -0.0423 -0.0322 -0.2165 254 GLY F C 9171 O O . GLY F 239 ? 0.6177 0.8524 0.6979 -0.0391 -0.0396 -0.2191 254 GLY F O 9172 N N . ARG F 240 ? 0.6225 0.7906 0.6817 -0.0371 -0.0272 -0.2139 255 ARG F N 9173 C CA . ARG F 240 ? 0.6380 0.8152 0.6875 -0.0279 -0.0306 -0.2145 255 ARG F CA 9174 C C . ARG F 240 ? 0.7352 0.8809 0.7643 -0.0340 -0.0225 -0.2232 255 ARG F C 9175 O O . ARG F 240 ? 0.7507 0.8603 0.7721 -0.0375 -0.0134 -0.2207 255 ARG F O 9176 C CB . ARG F 240 ? 0.6255 0.8055 0.6791 -0.0069 -0.0347 -0.1959 255 ARG F CB 9177 C CG . ARG F 240 ? 0.7600 0.9063 0.8115 -0.0002 -0.0291 -0.1821 255 ARG F CG 9178 C CD . ARG F 240 ? 0.9307 1.0728 0.9783 0.0181 -0.0310 -0.1678 255 ARG F CD 9179 N NE . ARG F 240 ? 1.0542 1.2253 1.1153 0.0303 -0.0381 -0.1583 255 ARG F NE 9180 C CZ . ARG F 240 ? 1.2637 1.4565 1.3239 0.0414 -0.0431 -0.1566 255 ARG F CZ 9181 N NH1 . ARG F 240 ? 1.1387 1.3283 1.1853 0.0415 -0.0429 -0.1641 255 ARG F NH1 9182 N NH2 . ARG F 240 ? 1.0771 1.2940 1.1494 0.0530 -0.0475 -0.1470 255 ARG F NH2 9183 N N . ALA F 241 ? 0.7040 0.8638 0.7236 -0.0345 -0.0253 -0.2328 256 ALA F N 9184 C CA . ALA F 241 ? 1.0804 1.2130 1.0788 -0.0397 -0.0177 -0.2419 256 ALA F CA 9185 C C . ALA F 241 ? 1.3211 1.4501 1.3103 -0.0213 -0.0203 -0.2314 256 ALA F C 9186 O O . ALA F 241 ? 0.7469 0.9021 0.7464 -0.0066 -0.0290 -0.2209 256 ALA F O 9187 C CB . ALA F 241 ? 1.1094 1.2604 1.1027 -0.0573 -0.0180 -0.2638 256 ALA F CB 9188 N N . GLN G 4 ? 0.3846 0.7796 0.4085 -0.0320 0.0337 -0.0415 9 GLN G N 9189 C CA . GLN G 4 ? 0.3735 0.7931 0.3979 -0.0260 0.0307 -0.0419 9 GLN G CA 9190 C C . GLN G 4 ? 0.3861 0.7846 0.4122 0.0021 0.0230 -0.0260 9 GLN G C 9191 O O . GLN G 4 ? 0.3901 0.7936 0.4144 0.0213 0.0197 -0.0155 9 GLN G O 9192 C CB . GLN G 4 ? 0.3938 0.8874 0.4167 -0.0304 0.0304 -0.0494 9 GLN G CB 9193 C CG . GLN G 4 ? 0.6612 1.1875 0.6845 -0.0299 0.0293 -0.0536 9 GLN G CG 9194 C CD . GLN G 4 ? 0.9363 1.4506 0.9564 -0.0594 0.0393 -0.0703 9 GLN G CD 9195 O OE1 . GLN G 4 ? 0.9129 1.4222 0.9276 -0.0858 0.0500 -0.0839 9 GLN G OE1 9196 N NE2 . GLN G 4 ? 0.8056 1.3138 0.8264 -0.0557 0.0383 -0.0699 9 GLN G NE2 9197 N N . VAL G 5 ? 0.3112 0.6826 0.3384 0.0036 0.0225 -0.0250 10 VAL G N 9198 C CA . VAL G 5 ? 0.2974 0.6441 0.3243 0.0251 0.0179 -0.0129 10 VAL G CA 9199 C C . VAL G 5 ? 0.3213 0.6859 0.3479 0.0270 0.0170 -0.0151 10 VAL G C 9200 O O . VAL G 5 ? 0.3107 0.6684 0.3382 0.0100 0.0201 -0.0244 10 VAL G O 9201 C CB . VAL G 5 ? 0.3437 0.6338 0.3725 0.0247 0.0180 -0.0090 10 VAL G CB 9202 C CG1 . VAL G 5 ? 0.3431 0.6111 0.3735 0.0063 0.0222 -0.0173 10 VAL G CG1 9203 C CG2 . VAL G 5 ? 0.3412 0.6072 0.3678 0.0419 0.0156 0.0002 10 VAL G CG2 9204 N N . THR G 6 ? 0.2681 0.6559 0.2913 0.0485 0.0145 -0.0062 11 THR G N 9205 C CA . THR G 6 ? 0.2611 0.6714 0.2836 0.0539 0.0137 -0.0067 11 THR G CA 9206 C C . THR G 6 ? 0.3100 0.6855 0.3276 0.0749 0.0135 0.0054 11 THR G C 9207 O O . THR G 6 ? 0.3262 0.6853 0.3370 0.0931 0.0155 0.0163 11 THR G O 9208 C CB . THR G 6 ? 0.3309 0.8116 0.3520 0.0611 0.0132 -0.0076 11 THR G CB 9209 O OG1 . THR G 6 ? 0.3232 0.8351 0.3475 0.0367 0.0152 -0.0216 11 THR G OG1 9210 C CG2 . THR G 6 ? 0.3250 0.8373 0.3461 0.0665 0.0127 -0.0089 11 THR G CG2 9211 N N . GLN G 7 ? 0.2434 0.6064 0.2621 0.0712 0.0131 0.0027 12 GLN G N 9212 C CA . GLN G 7 ? 0.2477 0.5788 0.2605 0.0870 0.0144 0.0116 12 GLN G CA 9213 C C . GLN G 7 ? 0.3126 0.6760 0.3224 0.0991 0.0151 0.0141 12 GLN G C 9214 O O . GLN G 7 ? 0.3002 0.6993 0.3154 0.0868 0.0133 0.0048 12 GLN G O 9215 C CB . GLN G 7 ? 0.2579 0.5437 0.2740 0.0736 0.0134 0.0072 12 GLN G CB 9216 C CG . GLN G 7 ? 0.2329 0.4825 0.2498 0.0695 0.0137 0.0086 12 GLN G CG 9217 C CD . GLN G 7 ? 0.3127 0.5268 0.3317 0.0609 0.0127 0.0060 12 GLN G CD 9218 O OE1 . GLN G 7 ? 0.2025 0.4073 0.2267 0.0477 0.0116 0.0009 12 GLN G OE1 9219 N NE2 . GLN G 7 ? 0.2562 0.4505 0.2695 0.0691 0.0145 0.0099 12 GLN G NE2 9220 N N . SER G 8 ? 0.2918 0.6415 0.2909 0.1228 0.0199 0.0263 13 SER G N 9221 C CA . SER G 8 ? 0.3015 0.6783 0.2959 0.1384 0.0221 0.0310 13 SER G CA 9222 C C . SER G 8 ? 0.3752 0.7044 0.3570 0.1541 0.0297 0.0404 13 SER G C 9223 O O . SER G 8 ? 0.3803 0.6704 0.3514 0.1634 0.0367 0.0476 13 SER G O 9224 C CB . SER G 8 ? 0.3553 0.7916 0.3457 0.1582 0.0236 0.0380 13 SER G CB 9225 O OG . SER G 8 ? 0.5137 0.9351 0.4919 0.1796 0.0299 0.0509 13 SER G OG 9226 N N . PRO G 9 ? 0.3443 0.6742 0.3255 0.1554 0.0303 0.0393 14 PRO G N 9227 C CA . PRO G 9 ? 0.3286 0.6993 0.3204 0.1429 0.0242 0.0296 14 PRO G CA 9228 C C . PRO G 9 ? 0.3636 0.7109 0.3657 0.1137 0.0185 0.0163 14 PRO G C 9229 O O . PRO G 9 ? 0.3594 0.6622 0.3608 0.1070 0.0186 0.0164 14 PRO G O 9230 C CB . PRO G 9 ? 0.3621 0.7285 0.3450 0.1603 0.0298 0.0368 14 PRO G CB 9231 C CG . PRO G 9 ? 0.4339 0.7356 0.4045 0.1665 0.0376 0.0434 14 PRO G CG 9232 C CD . PRO G 9 ? 0.3831 0.6668 0.3504 0.1678 0.0396 0.0467 14 PRO G CD 9233 N N . GLU G 10 ? 0.3139 0.6918 0.3239 0.0969 0.0154 0.0050 15 GLU G N 9234 C CA . GLU G 10 ? 0.3086 0.6609 0.3237 0.0725 0.0137 -0.0060 15 GLU G CA 9235 C C . GLU G 10 ? 0.3641 0.6742 0.3758 0.0744 0.0140 -0.0034 15 GLU G C 9236 O O . GLU G 10 ? 0.3597 0.6339 0.3724 0.0638 0.0129 -0.0058 15 GLU G O 9237 C CB . GLU G 10 ? 0.3251 0.7175 0.3446 0.0534 0.0147 -0.0196 15 GLU G CB 9238 C CG . GLU G 10 ? 0.5291 0.9040 0.5479 0.0381 0.0168 -0.0282 15 GLU G CG 9239 C CD . GLU G 10 ? 0.9107 1.2362 0.9278 0.0245 0.0185 -0.0313 15 GLU G CD 9240 O OE1 . GLU G 10 ? 0.8000 1.1065 0.8180 0.0225 0.0181 -0.0291 15 GLU G OE1 9241 O OE2 . GLU G 10 ? 0.8933 1.2002 0.9073 0.0178 0.0206 -0.0350 15 GLU G OE2 9242 N N . ALA G 11 ? 0.3284 0.6462 0.3352 0.0891 0.0161 0.0022 16 ALA G N 9243 C CA . ALA G 11 ? 0.3295 0.6122 0.3312 0.0917 0.0176 0.0045 16 ALA G CA 9244 C C . ALA G 11 ? 0.3830 0.6564 0.3735 0.1153 0.0242 0.0163 16 ALA G C 9245 O O . ALA G 11 ? 0.3752 0.6832 0.3625 0.1323 0.0271 0.0226 16 ALA G O 9246 C CB . ALA G 11 ? 0.3334 0.6313 0.3380 0.0817 0.0167 -0.0034 16 ALA G CB 9247 N N . LEU G 12 ? 0.3561 0.5836 0.3387 0.1164 0.0283 0.0192 17 LEU G N 9248 C CA . LEU G 12 ? 0.3769 0.5822 0.3435 0.1362 0.0394 0.0293 17 LEU G CA 9249 C C . LEU G 12 ? 0.4438 0.6165 0.4037 0.1313 0.0433 0.0270 17 LEU G C 9250 O O . LEU G 12 ? 0.4327 0.5801 0.3957 0.1143 0.0400 0.0201 17 LEU G O 9251 C CB . LEU G 12 ? 0.3898 0.5668 0.3472 0.1422 0.0463 0.0347 17 LEU G CB 9252 C CG . LEU G 12 ? 0.4811 0.6370 0.4166 0.1674 0.0627 0.0473 17 LEU G CG 9253 C CD1 . LEU G 12 ? 0.4841 0.6855 0.4167 0.1921 0.0650 0.0572 17 LEU G CD1 9254 C CD2 . LEU G 12 ? 0.5235 0.6503 0.4490 0.1703 0.0706 0.0509 17 LEU G CD2 9255 N N . ARG G 13 ? 0.4229 0.6007 0.3735 0.1472 0.0508 0.0331 18 ARG G N 9256 C CA . ARG G 13 ? 0.4306 0.5789 0.3721 0.1452 0.0569 0.0319 18 ARG G CA 9257 C C . ARG G 13 ? 0.4929 0.6026 0.4109 0.1627 0.0755 0.0415 18 ARG G C 9258 O O . ARG G 13 ? 0.5086 0.6303 0.4154 0.1880 0.0852 0.0530 18 ARG G O 9259 C CB . ARG G 13 ? 0.4381 0.6181 0.3849 0.1490 0.0535 0.0308 18 ARG G CB 9260 C CG . ARG G 13 ? 0.5904 0.7819 0.5522 0.1259 0.0413 0.0188 18 ARG G CG 9261 C CD . ARG G 13 ? 0.7752 0.9953 0.7403 0.1281 0.0401 0.0165 18 ARG G CD 9262 N NE . ARG G 13 ? 0.9301 1.1237 0.8830 0.1358 0.0485 0.0202 18 ARG G NE 9263 C CZ . ARG G 13 ? 1.1545 1.3692 1.1051 0.1470 0.0521 0.0229 18 ARG G CZ 9264 N NH1 . ARG G 13 ? 0.9948 1.2628 0.9550 0.1509 0.0475 0.0214 18 ARG G NH1 9265 N NH2 . ARG G 13 ? 1.0371 1.2221 0.9751 0.1532 0.0612 0.0262 18 ARG G NH2 9266 N N . LEU G 14 ? 0.4375 0.5023 0.3464 0.1493 0.0821 0.0365 19 LEU G N 9267 C CA . LEU G 14 ? 0.4639 0.4817 0.3463 0.1596 0.1039 0.0423 19 LEU G CA 9268 C C . LEU G 14 ? 0.5181 0.5019 0.3891 0.1476 0.1126 0.0358 19 LEU G C 9269 O O . LEU G 14 ? 0.4916 0.4830 0.3764 0.1263 0.1000 0.0251 19 LEU G O 9270 C CB . LEU G 14 ? 0.4694 0.4621 0.3465 0.1508 0.1087 0.0396 19 LEU G CB 9271 C CG . LEU G 14 ? 0.5087 0.5258 0.3923 0.1628 0.1038 0.0463 19 LEU G CG 9272 C CD1 . LEU G 14 ? 0.5135 0.5047 0.3946 0.1481 0.1066 0.0404 19 LEU G CD1 9273 C CD2 . LEU G 14 ? 0.5559 0.5740 0.4204 0.1959 0.1193 0.0624 19 LEU G CD2 9274 N N . GLN G 15 ? 0.5020 0.4472 0.3455 0.1622 0.1360 0.0429 20 GLN G N 9275 C CA . GLN G 15 ? 0.5164 0.4226 0.3435 0.1503 0.1495 0.0363 20 GLN G CA 9276 C C . GLN G 15 ? 0.5774 0.4425 0.3910 0.1284 0.1613 0.0259 20 GLN G C 9277 O O . GLN G 15 ? 0.5762 0.4340 0.3861 0.1317 0.1654 0.0284 20 GLN G O 9278 C CB . GLN G 15 ? 0.5727 0.4548 0.3734 0.1777 0.1726 0.0494 20 GLN G CB 9279 C CG . GLN G 15 ? 0.7422 0.5999 0.5319 0.1686 0.1816 0.0438 20 GLN G CG 9280 C CD . GLN G 15 ? 0.9210 0.8219 0.7378 0.1576 0.1575 0.0374 20 GLN G CD 9281 O OE1 . GLN G 15 ? 0.8462 0.7935 0.6802 0.1719 0.1434 0.0437 20 GLN G OE1 9282 N NE2 . GLN G 15 ? 0.7998 0.6873 0.6189 0.1311 0.1538 0.0238 20 GLN G NE2 9283 N N . GLU G 16 ? 0.5405 0.3833 0.3474 0.1046 0.1664 0.0130 21 GLU G N 9284 C CA . GLU G 16 ? 0.5604 0.3710 0.3540 0.0797 0.1787 0.0000 21 GLU G CA 9285 C C . GLU G 16 ? 0.6544 0.4117 0.4130 0.0934 0.2108 0.0069 21 GLU G C 9286 O O . GLU G 16 ? 0.6883 0.4155 0.4229 0.1133 0.2316 0.0168 21 GLU G O 9287 C CB . GLU G 16 ? 0.5874 0.3876 0.3762 0.0533 0.1817 -0.0149 21 GLU G CB 9288 C CG . GLU G 16 ? 0.7397 0.5426 0.5319 0.0212 0.1792 -0.0322 21 GLU G CG 9289 C CD . GLU G 16 ? 1.0012 0.8023 0.7880 -0.0064 0.1821 -0.0482 21 GLU G CD 9290 O OE1 . GLU G 16 ? 0.9238 0.7111 0.6982 -0.0327 0.1944 -0.0636 21 GLU G OE1 9291 O OE2 . GLU G 16 ? 0.8939 0.7103 0.6886 -0.0030 0.1725 -0.0464 21 GLU G OE2 9292 N N . GLY G 17 ? 0.6080 0.3558 0.3638 0.0869 0.2146 0.0040 22 GLY G N 9293 C CA . GLY G 17 ? 0.6535 0.3486 0.3747 0.0998 0.2460 0.0107 22 GLY G CA 9294 C C . GLY G 17 ? 0.6984 0.4034 0.4168 0.1387 0.2473 0.0319 22 GLY G C 9295 O O . GLY G 17 ? 0.7384 0.4005 0.4271 0.1531 0.2733 0.0396 22 GLY G O 9296 N N . GLU G 18 ? 0.6097 0.3719 0.3567 0.1556 0.2212 0.0412 23 GLU G N 9297 C CA . GLU G 18 ? 0.6080 0.3962 0.3563 0.1913 0.2189 0.0601 23 GLU G CA 9298 C C . GLU G 18 ? 0.6534 0.4631 0.4168 0.1880 0.2060 0.0596 23 GLU G C 9299 O O . GLU G 18 ? 0.6101 0.4683 0.4066 0.1752 0.1778 0.0533 23 GLU G O 9300 C CB . GLU G 18 ? 0.5858 0.4314 0.3584 0.2048 0.1971 0.0662 23 GLU G CB 9301 C CG . GLU G 18 ? 0.6768 0.5609 0.4508 0.2409 0.1949 0.0844 23 GLU G CG 9302 C CD . GLU G 18 ? 0.7806 0.7325 0.5818 0.2491 0.1718 0.0870 23 GLU G CD 9303 O OE1 . GLU G 18 ? 0.6939 0.6898 0.5010 0.2721 0.1661 0.0981 23 GLU G OE1 9304 O OE2 . GLU G 18 ? 0.5932 0.5559 0.4080 0.2324 0.1608 0.0777 23 GLU G OE2 9305 N N . SER G 19 ? 0.6477 0.4176 0.3841 0.2006 0.2291 0.0665 24 SER G N 9306 C CA . SER G 19 ? 0.6330 0.4151 0.3781 0.1995 0.2216 0.0671 24 SER G CA 9307 C C . SER G 19 ? 0.6426 0.4876 0.4103 0.2229 0.2004 0.0795 24 SER G C 9308 O O . SER G 19 ? 0.6528 0.5179 0.4143 0.2520 0.2041 0.0936 24 SER G O 9309 C CB . SER G 19 ? 0.7384 0.4588 0.4440 0.2113 0.2555 0.0734 24 SER G CB 9310 O OG . SER G 19 ? 0.8919 0.5561 0.5763 0.1827 0.2764 0.0578 24 SER G OG 9311 N N . SER G 20 ? 0.5456 0.4241 0.3389 0.2093 0.1793 0.0734 25 SER G N 9312 C CA . SER G 20 ? 0.5061 0.4466 0.3220 0.2237 0.1589 0.0808 25 SER G CA 9313 C C . SER G 20 ? 0.5339 0.4845 0.3618 0.2132 0.1493 0.0768 25 SER G C 9314 O O . SER G 20 ? 0.5368 0.4479 0.3565 0.1957 0.1580 0.0687 25 SER G O 9315 C CB . SER G 20 ? 0.5118 0.5008 0.3574 0.2104 0.1346 0.0731 25 SER G CB 9316 O OG . SER G 20 ? 0.6253 0.6744 0.4866 0.2258 0.1206 0.0800 25 SER G OG 9317 N N . SER G 21 ? 0.4655 0.4712 0.3124 0.2226 0.1325 0.0816 26 SER G N 9318 C CA . SER G 21 ? 0.4462 0.4678 0.3059 0.2140 0.1223 0.0785 26 SER G CA 9319 C C . SER G 21 ? 0.4445 0.5257 0.3360 0.2013 0.0968 0.0716 26 SER G C 9320 O O . SER G 21 ? 0.4234 0.5458 0.3228 0.2104 0.0896 0.0744 26 SER G O 9321 C CB . SER G 21 ? 0.5258 0.5454 0.3652 0.2436 0.1363 0.0939 26 SER G CB 9322 O OG . SER G 21 ? 0.7208 0.6778 0.5250 0.2568 0.1649 0.1010 26 SER G OG 9323 N N . LEU G 22 ? 0.3881 0.4718 0.2960 0.1793 0.0854 0.0618 27 LEU G N 9324 C CA . LEU G 22 ? 0.3483 0.4769 0.2822 0.1639 0.0655 0.0539 27 LEU G CA 9325 C C . LEU G 22 ? 0.3792 0.5288 0.3162 0.1689 0.0628 0.0573 27 LEU G C 9326 O O . LEU G 22 ? 0.3792 0.4978 0.3079 0.1676 0.0699 0.0582 27 LEU G O 9327 C CB . LEU G 22 ? 0.3316 0.4447 0.2801 0.1356 0.0562 0.0406 27 LEU G CB 9328 C CG . LEU G 22 ? 0.4029 0.4882 0.3463 0.1272 0.0603 0.0358 27 LEU G CG 9329 C CD1 . LEU G 22 ? 0.3801 0.4608 0.3379 0.1031 0.0504 0.0246 27 LEU G CD1 9330 C CD2 . LEU G 22 ? 0.4375 0.5443 0.3817 0.1358 0.0582 0.0384 27 LEU G CD2 9331 N N . ASN G 23 ? 0.3248 0.5282 0.2725 0.1736 0.0536 0.0582 28 ASN G N 9332 C CA . ASN G 23 ? 0.3224 0.5532 0.2731 0.1776 0.0507 0.0606 28 ASN G CA 9333 C C . ASN G 23 ? 0.3501 0.5964 0.3211 0.1505 0.0378 0.0477 28 ASN G C 9334 O O . ASN G 23 ? 0.3229 0.5832 0.3065 0.1341 0.0300 0.0385 28 ASN G O 9335 C CB . ASN G 23 ? 0.3432 0.6307 0.2900 0.2004 0.0511 0.0695 28 ASN G CB 9336 C CG . ASN G 23 ? 0.5930 0.9159 0.5419 0.2048 0.0482 0.0718 28 ASN G CG 9337 O OD1 . ASN G 23 ? 0.5281 0.8248 0.4641 0.2167 0.0566 0.0797 28 ASN G OD1 9338 N ND2 . ASN G 23 ? 0.4692 0.8493 0.4338 0.1915 0.0372 0.0628 28 ASN G ND2 9339 N N . CYS G 24 ? 0.3219 0.5636 0.2937 0.1473 0.0378 0.0479 29 CYS G N 9340 C CA . CYS G 24 ? 0.3024 0.5559 0.2896 0.1251 0.0290 0.0376 29 CYS G CA 9341 C C . CYS G 24 ? 0.3552 0.6360 0.3402 0.1324 0.0295 0.0415 29 CYS G C 9342 O O . CYS G 24 ? 0.3599 0.6130 0.3375 0.1376 0.0347 0.0461 29 CYS G O 9343 C CB . CYS G 24 ? 0.3082 0.5163 0.2996 0.1087 0.0285 0.0319 29 CYS G CB 9344 S SG . CYS G 24 ? 0.3427 0.5576 0.3488 0.0863 0.0216 0.0224 29 CYS G SG 9345 N N . SER G 25 ? 0.3013 0.6384 0.2918 0.1317 0.0248 0.0387 30 SER G N 9346 C CA . SER G 25 ? 0.2970 0.6705 0.2861 0.1367 0.0245 0.0408 30 SER G CA 9347 C C . SER G 25 ? 0.3384 0.7142 0.3397 0.1091 0.0196 0.0280 30 SER G C 9348 O O . SER G 25 ? 0.3200 0.6943 0.3308 0.0876 0.0164 0.0167 30 SER G O 9349 C CB . SER G 25 ? 0.3319 0.7744 0.3193 0.1498 0.0231 0.0433 30 SER G CB 9350 O OG . SER G 25 ? 0.4568 0.8984 0.4288 0.1823 0.0304 0.0590 30 SER G OG 9351 N N . TYR G 26 ? 0.3081 0.6846 0.3068 0.1109 0.0209 0.0305 31 TYR G N 9352 C CA . TYR G 26 ? 0.2992 0.6776 0.3067 0.0871 0.0186 0.0197 31 TYR G CA 9353 C C . TYR G 26 ? 0.4067 0.8339 0.4103 0.0939 0.0188 0.0218 31 TYR G C 9354 O O . TYR G 26 ? 0.4156 0.8376 0.4089 0.1156 0.0222 0.0338 31 TYR G O 9355 C CB . TYR G 26 ? 0.2996 0.6186 0.3093 0.0790 0.0200 0.0195 31 TYR G CB 9356 C CG . TYR G 26 ? 0.3166 0.6051 0.3155 0.0976 0.0252 0.0307 31 TYR G CG 9357 C CD1 . TYR G 26 ? 0.3517 0.6087 0.3405 0.1135 0.0305 0.0387 31 TYR G CD1 9358 C CD2 . TYR G 26 ? 0.3211 0.6071 0.3178 0.0972 0.0270 0.0321 31 TYR G CD2 9359 C CE1 . TYR G 26 ? 0.3797 0.6027 0.3542 0.1283 0.0396 0.0475 31 TYR G CE1 9360 C CE2 . TYR G 26 ? 0.3459 0.6004 0.3299 0.1135 0.0342 0.0418 31 TYR G CE2 9361 C CZ . TYR G 26 ? 0.4480 0.6694 0.4200 0.1285 0.0415 0.0491 31 TYR G CZ 9362 O OH . TYR G 26 ? 0.4517 0.6362 0.4072 0.1423 0.0527 0.0571 31 TYR G OH 9363 N N . THR G 27 ? 0.3971 0.8756 0.4067 0.0757 0.0167 0.0096 32 THR G N 9364 C CA . THR G 27 ? 0.4094 0.9518 0.4166 0.0766 0.0162 0.0075 32 THR G CA 9365 C C . THR G 27 ? 0.4687 0.9960 0.4750 0.0692 0.0178 0.0066 32 THR G C 9366 O O . THR G 27 ? 0.4807 1.0517 0.4815 0.0798 0.0177 0.0107 32 THR G O 9367 C CB . THR G 27 ? 0.5726 1.1689 0.5861 0.0500 0.0159 -0.0104 32 THR G CB 9368 O OG1 . THR G 27 ? 0.5999 1.1610 0.6182 0.0182 0.0198 -0.0246 32 THR G OG1 9369 C CG2 . THR G 27 ? 0.5675 1.1820 0.5827 0.0544 0.0146 -0.0115 32 THR G CG2 9370 N N . VAL G 28 ? 0.4086 0.8779 0.4196 0.0532 0.0194 0.0022 33 VAL G N 9371 C CA . VAL G 28 ? 0.4032 0.8551 0.4140 0.0447 0.0214 0.0006 33 VAL G CA 9372 C C . VAL G 28 ? 0.4472 0.8739 0.4495 0.0700 0.0227 0.0157 33 VAL G C 9373 O O . VAL G 28 ? 0.4506 0.8678 0.4451 0.0945 0.0239 0.0278 33 VAL G O 9374 C CB . VAL G 28 ? 0.4485 0.8469 0.4658 0.0227 0.0240 -0.0074 33 VAL G CB 9375 C CG1 . VAL G 28 ? 0.4448 0.8384 0.4624 0.0083 0.0275 -0.0127 33 VAL G CG1 9376 C CG2 . VAL G 28 ? 0.4426 0.8443 0.4641 0.0028 0.0260 -0.0192 33 VAL G CG2 9377 N N . SER G 29 ? 0.3872 0.8020 0.3892 0.0629 0.0245 0.0144 34 SER G N 9378 C CA . SER G 29 ? 0.3888 0.7651 0.3829 0.0796 0.0278 0.0256 34 SER G CA 9379 C C . SER G 29 ? 0.4001 0.7337 0.4018 0.0587 0.0291 0.0182 34 SER G C 9380 O O . SER G 29 ? 0.3971 0.7466 0.4044 0.0378 0.0292 0.0078 34 SER G O 9381 C CB . SER G 29 ? 0.4555 0.8726 0.4384 0.0987 0.0295 0.0342 34 SER G CB 9382 O OG . SER G 29 ? 0.5995 0.9754 0.5703 0.1180 0.0356 0.0463 34 SER G OG 9383 N N . GLY G 30 ? 0.3158 0.5967 0.3164 0.0641 0.0316 0.0231 35 GLY G N 9384 C CA . GLY G 30 ? 0.2875 0.5323 0.2965 0.0463 0.0324 0.0167 35 GLY G CA 9385 C C . GLY G 30 ? 0.2870 0.4976 0.3022 0.0418 0.0316 0.0149 35 GLY G C 9386 O O . GLY G 30 ? 0.2640 0.4679 0.2875 0.0260 0.0309 0.0077 35 GLY G O 9387 N N . LEU G 31 ? 0.2233 0.4150 0.2321 0.0564 0.0332 0.0215 36 LEU G N 9388 C CA . LEU G 31 ? 0.2009 0.3642 0.2145 0.0519 0.0326 0.0193 36 LEU G CA 9389 C C . LEU G 31 ? 0.2382 0.3674 0.2565 0.0433 0.0347 0.0166 36 LEU G C 9390 O O . LEU G 31 ? 0.2452 0.3576 0.2574 0.0473 0.0394 0.0191 36 LEU G O 9391 C CB . LEU G 31 ? 0.2097 0.3640 0.2125 0.0685 0.0359 0.0260 36 LEU G CB 9392 C CG . LEU G 31 ? 0.2541 0.3908 0.2608 0.0641 0.0345 0.0231 36 LEU G CG 9393 C CD1 . LEU G 31 ? 0.2423 0.4050 0.2574 0.0574 0.0283 0.0189 36 LEU G CD1 9394 C CD2 . LEU G 31 ? 0.2887 0.4049 0.2805 0.0792 0.0422 0.0294 36 LEU G CD2 9395 N N . ARG G 32 ? 0.1786 0.2998 0.2067 0.0325 0.0319 0.0116 37 ARG G N 9396 C CA . ARG G 32 ? 0.1727 0.2702 0.2058 0.0264 0.0333 0.0091 37 ARG G CA 9397 C C . ARG G 32 ? 0.2270 0.3109 0.2580 0.0287 0.0340 0.0085 37 ARG G C 9398 O O . ARG G 32 ? 0.2302 0.2974 0.2603 0.0254 0.0374 0.0061 37 ARG G O 9399 C CB . ARG G 32 ? 0.1348 0.2348 0.1783 0.0152 0.0318 0.0053 37 ARG G CB 9400 C CG . ARG G 32 ? 0.1737 0.2752 0.2176 0.0103 0.0345 0.0046 37 ARG G CG 9401 C CD . ARG G 32 ? 0.1601 0.2638 0.2089 0.0002 0.0368 0.0014 37 ARG G CD 9402 N NE . ARG G 32 ? 0.1227 0.2119 0.1779 -0.0015 0.0384 0.0016 37 ARG G NE 9403 C CZ . ARG G 32 ? 0.2782 0.3580 0.3364 -0.0037 0.0411 0.0017 37 ARG G CZ 9404 N NH1 . ARG G 32 ? 0.1849 0.2639 0.2398 -0.0053 0.0429 0.0014 37 ARG G NH1 9405 N NH2 . ARG G 32 ? 0.1153 0.1896 0.1795 -0.0031 0.0424 0.0025 37 ARG G NH2 9406 N N . GLY G 33 ? 0.1876 0.2808 0.2168 0.0331 0.0315 0.0096 38 GLY G N 9407 C CA . GLY G 33 ? 0.1910 0.2729 0.2165 0.0350 0.0328 0.0087 38 GLY G CA 9408 C C . GLY G 33 ? 0.2473 0.3431 0.2722 0.0396 0.0293 0.0101 38 GLY G C 9409 O O . GLY G 33 ? 0.2276 0.3413 0.2595 0.0355 0.0246 0.0088 38 GLY G O 9410 N N . LEU G 34 ? 0.2174 0.3022 0.2319 0.0473 0.0337 0.0123 39 LEU G N 9411 C CA . LEU G 34 ? 0.2107 0.3063 0.2238 0.0523 0.0312 0.0136 39 LEU G CA 9412 C C . LEU G 34 ? 0.2576 0.3390 0.2716 0.0456 0.0316 0.0091 39 LEU G C 9413 O O . LEU G 34 ? 0.2792 0.3387 0.2846 0.0436 0.0392 0.0069 39 LEU G O 9414 C CB . LEU G 34 ? 0.2279 0.3263 0.2266 0.0694 0.0371 0.0211 39 LEU G CB 9415 C CG . LEU G 34 ? 0.2826 0.4006 0.2814 0.0755 0.0338 0.0228 39 LEU G CG 9416 C CD1 . LEU G 34 ? 0.2848 0.4321 0.2776 0.0904 0.0345 0.0296 39 LEU G CD1 9417 C CD2 . LEU G 34 ? 0.3217 0.4164 0.3112 0.0789 0.0397 0.0232 39 LEU G CD2 9418 N N . PHE G 35 ? 0.1883 0.2828 0.2108 0.0410 0.0250 0.0068 40 PHE G N 9419 C CA . PHE G 35 ? 0.1748 0.2639 0.1996 0.0346 0.0238 0.0025 40 PHE G CA 9420 C C . PHE G 35 ? 0.2093 0.3022 0.2304 0.0390 0.0227 0.0035 40 PHE G C 9421 O O . PHE G 35 ? 0.2056 0.3138 0.2288 0.0431 0.0194 0.0059 40 PHE G O 9422 C CB . PHE G 35 ? 0.1767 0.2769 0.2138 0.0272 0.0180 0.0002 40 PHE G CB 9423 C CG . PHE G 35 ? 0.1841 0.2829 0.2260 0.0234 0.0189 -0.0003 40 PHE G CG 9424 C CD1 . PHE G 35 ? 0.2131 0.3163 0.2570 0.0245 0.0189 0.0021 40 PHE G CD1 9425 C CD2 . PHE G 35 ? 0.2062 0.3023 0.2506 0.0172 0.0204 -0.0044 40 PHE G CD2 9426 C CE1 . PHE G 35 ? 0.2215 0.3217 0.2693 0.0210 0.0204 0.0017 40 PHE G CE1 9427 C CE2 . PHE G 35 ? 0.2387 0.3351 0.2880 0.0140 0.0215 -0.0049 40 PHE G CE2 9428 C CZ . PHE G 35 ? 0.2089 0.3049 0.2598 0.0166 0.0215 -0.0013 40 PHE G CZ 9429 N N . TRP G 36 ? 0.1591 0.2399 0.1744 0.0358 0.0263 0.0002 41 TRP G N 9430 C CA . TRP G 36 ? 0.1542 0.2357 0.1655 0.0384 0.0259 0.0002 41 TRP G CA 9431 C C . TRP G 36 ? 0.1933 0.2823 0.2116 0.0289 0.0210 -0.0051 41 TRP G C 9432 O O . TRP G 36 ? 0.1944 0.2816 0.2135 0.0201 0.0228 -0.0105 41 TRP G O 9433 C CB . TRP G 36 ? 0.1598 0.2185 0.1538 0.0442 0.0375 0.0013 41 TRP G CB 9434 C CG . TRP G 36 ? 0.1790 0.2374 0.1638 0.0605 0.0423 0.0098 41 TRP G CG 9435 C CD1 . TRP G 36 ? 0.2290 0.2745 0.2033 0.0687 0.0508 0.0144 41 TRP G CD1 9436 C CD2 . TRP G 36 ? 0.1716 0.2487 0.1565 0.0717 0.0390 0.0151 41 TRP G CD2 9437 N NE1 . TRP G 36 ? 0.2267 0.2846 0.1942 0.0866 0.0528 0.0233 41 TRP G NE1 9438 C CE2 . TRP G 36 ? 0.2325 0.3125 0.2073 0.0880 0.0453 0.0233 41 TRP G CE2 9439 C CE3 . TRP G 36 ? 0.1752 0.2685 0.1669 0.0700 0.0323 0.0136 41 TRP G CE3 9440 C CZ2 . TRP G 36 ? 0.2229 0.3280 0.1953 0.1027 0.0442 0.0298 41 TRP G CZ2 9441 C CZ3 . TRP G 36 ? 0.1932 0.3076 0.1829 0.0820 0.0315 0.0187 41 TRP G CZ3 9442 C CH2 . TRP G 36 ? 0.2117 0.3354 0.1927 0.0981 0.0369 0.0265 41 TRP G CH2 9443 N N . TYR G 37 ? 0.1407 0.2414 0.1633 0.0309 0.0154 -0.0038 42 TYR G N 9444 C CA . TYR G 37 ? 0.1386 0.2489 0.1657 0.0261 0.0110 -0.0065 42 TYR G CA 9445 C C . TYR G 37 ? 0.2102 0.3186 0.2319 0.0284 0.0111 -0.0067 42 TYR G C 9446 O O . TYR G 37 ? 0.1951 0.3017 0.2132 0.0351 0.0124 -0.0034 42 TYR G O 9447 C CB . TYR G 37 ? 0.1379 0.2602 0.1731 0.0276 0.0063 -0.0036 42 TYR G CB 9448 C CG . TYR G 37 ? 0.1626 0.2878 0.2035 0.0259 0.0064 -0.0030 42 TYR G CG 9449 C CD1 . TYR G 37 ? 0.1798 0.3007 0.2216 0.0270 0.0083 -0.0011 42 TYR G CD1 9450 C CD2 . TYR G 37 ? 0.1757 0.3124 0.2210 0.0240 0.0047 -0.0040 42 TYR G CD2 9451 C CE1 . TYR G 37 ? 0.1631 0.2850 0.2097 0.0253 0.0090 -0.0005 42 TYR G CE1 9452 C CE2 . TYR G 37 ? 0.1863 0.3275 0.2369 0.0238 0.0053 -0.0029 42 TYR G CE2 9453 C CZ . TYR G 37 ? 0.2456 0.3765 0.2967 0.0241 0.0077 -0.0011 42 TYR G CZ 9454 O OH . TYR G 37 ? 0.2554 0.3889 0.3112 0.0238 0.0090 0.0001 42 TYR G OH 9455 N N . ARG G 38 ? 0.1942 0.3072 0.2152 0.0231 0.0098 -0.0105 43 ARG G N 9456 C CA . ARG G 38 ? 0.2001 0.3120 0.2164 0.0245 0.0095 -0.0109 43 ARG G CA 9457 C C . ARG G 38 ? 0.2711 0.3986 0.2932 0.0252 0.0033 -0.0097 43 ARG G C 9458 O O . ARG G 38 ? 0.2682 0.4087 0.2944 0.0225 0.0009 -0.0109 43 ARG G O 9459 C CB . ARG G 38 ? 0.2177 0.3173 0.2234 0.0179 0.0166 -0.0167 43 ARG G CB 9460 C CG . ARG G 38 ? 0.3914 0.5028 0.3977 0.0054 0.0165 -0.0247 43 ARG G CG 9461 C CD . ARG G 38 ? 0.5781 0.6787 0.5722 -0.0032 0.0242 -0.0318 43 ARG G CD 9462 N NE . ARG G 38 ? 0.7275 0.8364 0.7225 0.0004 0.0189 -0.0298 43 ARG G NE 9463 C CZ . ARG G 38 ? 0.9193 1.0197 0.9041 -0.0056 0.0245 -0.0349 43 ARG G CZ 9464 N NH1 . ARG G 38 ? 0.7974 0.8779 0.7683 -0.0166 0.0378 -0.0427 43 ARG G NH1 9465 N NH2 . ARG G 38 ? 0.7051 0.8139 0.6916 -0.0016 0.0190 -0.0326 43 ARG G NH2 9466 N N . GLN G 39 ? 0.2467 0.3741 0.2678 0.0300 0.0020 -0.0068 44 GLN G N 9467 C CA . GLN G 39 ? 0.2509 0.3862 0.2731 0.0326 -0.0005 -0.0044 44 GLN G CA 9468 C C . GLN G 39 ? 0.3656 0.5005 0.3827 0.0331 -0.0011 -0.0054 44 GLN G C 9469 O O . GLN G 39 ? 0.3608 0.4894 0.3751 0.0341 0.0005 -0.0057 44 GLN G O 9470 C CB . GLN G 39 ? 0.2573 0.3892 0.2803 0.0355 0.0019 -0.0011 44 GLN G CB 9471 C CG . GLN G 39 ? 0.3028 0.4346 0.3220 0.0400 0.0042 0.0027 44 GLN G CG 9472 C CD . GLN G 39 ? 0.4662 0.5877 0.4813 0.0397 0.0115 0.0040 44 GLN G CD 9473 O OE1 . GLN G 39 ? 0.3980 0.5180 0.4134 0.0343 0.0135 0.0004 44 GLN G OE1 9474 N NE2 . GLN G 39 ? 0.3503 0.4655 0.3593 0.0457 0.0174 0.0089 44 GLN G NE2 9475 N N . ASP G 40 ? 0.3749 0.5208 0.3908 0.0330 -0.0034 -0.0057 45 ASP G N 9476 C CA . ASP G 40 ? 0.4012 0.5487 0.4118 0.0341 -0.0042 -0.0060 45 ASP G CA 9477 C C . ASP G 40 ? 0.4856 0.6276 0.4930 0.0413 -0.0018 -0.0007 45 ASP G C 9478 O O . ASP G 40 ? 0.4782 0.6210 0.4864 0.0459 0.0004 0.0035 45 ASP G O 9479 C CB . ASP G 40 ? 0.4372 0.6045 0.4468 0.0314 -0.0072 -0.0086 45 ASP G CB 9480 C CG . ASP G 40 ? 0.6447 0.8164 0.6544 0.0197 -0.0060 -0.0169 45 ASP G CG 9481 O OD1 . ASP G 40 ? 0.6633 0.8158 0.6684 0.0147 -0.0013 -0.0206 45 ASP G OD1 9482 O OD2 . ASP G 40 ? 0.7616 0.9565 0.7741 0.0155 -0.0078 -0.0200 45 ASP G OD2 9483 N N . PRO G 41 ? 0.4799 0.6134 0.4819 0.0416 0.0004 -0.0012 46 PRO G N 9484 C CA . PRO G 41 ? 0.4905 0.6135 0.4858 0.0453 0.0067 0.0019 46 PRO G CA 9485 C C . PRO G 41 ? 0.5488 0.6728 0.5376 0.0550 0.0102 0.0088 46 PRO G C 9486 O O . PRO G 41 ? 0.5452 0.6817 0.5315 0.0603 0.0068 0.0113 46 PRO G O 9487 C CB . PRO G 41 ? 0.5193 0.6372 0.5094 0.0431 0.0079 -0.0010 46 PRO G CB 9488 C CG . PRO G 41 ? 0.5714 0.6942 0.5670 0.0388 0.0034 -0.0051 46 PRO G CG 9489 C CD . PRO G 41 ? 0.5105 0.6412 0.5103 0.0380 -0.0007 -0.0052 46 PRO G CD 9490 N N . GLY G 42 ? 0.5033 0.6162 0.4884 0.0579 0.0178 0.0122 47 GLY G N 9491 C CA . GLY G 42 ? 0.5092 0.6182 0.4846 0.0708 0.0251 0.0211 47 GLY G CA 9492 C C . GLY G 42 ? 0.5293 0.6592 0.5122 0.0776 0.0199 0.0255 47 GLY G C 9493 O O . GLY G 42 ? 0.5375 0.6642 0.5129 0.0900 0.0275 0.0339 47 GLY G O 9494 N N . LYS G 43 ? 0.4471 0.5975 0.4429 0.0696 0.0089 0.0196 48 LYS G N 9495 C CA . LYS G 43 ? 0.4270 0.6022 0.4312 0.0712 0.0035 0.0201 48 LYS G CA 9496 C C . LYS G 43 ? 0.4308 0.5970 0.4415 0.0669 0.0054 0.0190 48 LYS G C 9497 O O . LYS G 43 ? 0.4295 0.5743 0.4391 0.0612 0.0095 0.0168 48 LYS G O 9498 C CB . LYS G 43 ? 0.4539 0.6490 0.4649 0.0602 -0.0049 0.0115 48 LYS G CB 9499 C CG . LYS G 43 ? 0.6334 0.8585 0.6413 0.0650 -0.0087 0.0125 48 LYS G CG 9500 C CD . LYS G 43 ? 0.7686 0.9868 0.7646 0.0781 -0.0046 0.0204 48 LYS G CD 9501 C CE . LYS G 43 ? 0.8675 1.0674 0.8594 0.0703 -0.0048 0.0154 48 LYS G CE 9502 N NZ . LYS G 43 ? 0.9931 1.1720 0.9721 0.0812 0.0031 0.0226 48 LYS G NZ 9503 N N . GLY G 44 ? 0.3476 0.5342 0.3647 0.0693 0.0026 0.0202 49 GLY G N 9504 C CA . GLY G 44 ? 0.3237 0.5034 0.3469 0.0654 0.0041 0.0193 49 GLY G CA 9505 C C . GLY G 44 ? 0.3259 0.5015 0.3565 0.0510 -0.0003 0.0102 49 GLY G C 9506 O O . GLY G 44 ? 0.3217 0.5100 0.3545 0.0438 -0.0047 0.0040 49 GLY G O 9507 N N . PRO G 45 ? 0.2511 0.4086 0.2832 0.0468 0.0026 0.0091 50 PRO G N 9508 C CA . PRO G 45 ? 0.2330 0.3859 0.2691 0.0374 0.0003 0.0028 50 PRO G CA 9509 C C . PRO G 45 ? 0.2554 0.4233 0.2963 0.0320 -0.0020 -0.0016 50 PRO G C 9510 O O . PRO G 45 ? 0.2418 0.4229 0.2869 0.0350 -0.0021 0.0006 50 PRO G O 9511 C CB . PRO G 45 ? 0.2515 0.3912 0.2883 0.0367 0.0040 0.0041 50 PRO G CB 9512 C CG . PRO G 45 ? 0.3168 0.4487 0.3479 0.0415 0.0096 0.0084 50 PRO G CG 9513 C CD . PRO G 45 ? 0.2715 0.4126 0.2996 0.0503 0.0099 0.0134 50 PRO G CD 9514 N N . GLU G 46 ? 0.1999 0.3662 0.2382 0.0235 -0.0019 -0.0085 51 GLU G N 9515 C CA . GLU G 46 ? 0.1938 0.3714 0.2330 0.0131 -0.0007 -0.0164 51 GLU G CA 9516 C C . GLU G 46 ? 0.2120 0.3685 0.2487 0.0082 0.0047 -0.0190 51 GLU G C 9517 O O . GLU G 46 ? 0.2002 0.3353 0.2302 0.0097 0.0084 -0.0182 51 GLU G O 9518 C CB . GLU G 46 ? 0.2229 0.4067 0.2559 0.0046 0.0003 -0.0236 51 GLU G CB 9519 C CG . GLU G 46 ? 0.3881 0.5890 0.4200 -0.0105 0.0037 -0.0348 51 GLU G CG 9520 C CD . GLU G 46 ? 0.7489 0.9440 0.7702 -0.0236 0.0097 -0.0447 51 GLU G CD 9521 O OE1 . GLU G 46 ? 0.7507 0.9225 0.7622 -0.0351 0.0202 -0.0524 51 GLU G OE1 9522 O OE2 . GLU G 46 ? 0.7117 0.9227 0.7322 -0.0224 0.0056 -0.0447 51 GLU G OE2 9523 N N . PHE G 47 ? 0.1545 0.3185 0.1958 0.0039 0.0058 -0.0214 52 PHE G N 9524 C CA . PHE G 47 ? 0.1551 0.2990 0.1931 0.0003 0.0117 -0.0232 52 PHE G CA 9525 C C . PHE G 47 ? 0.2126 0.3370 0.2377 -0.0098 0.0215 -0.0313 52 PHE G C 9526 O O . PHE G 47 ? 0.2101 0.3455 0.2317 -0.0219 0.0244 -0.0404 52 PHE G O 9527 C CB . PHE G 47 ? 0.1724 0.3305 0.2183 -0.0026 0.0111 -0.0245 52 PHE G CB 9528 C CG . PHE G 47 ? 0.1918 0.3292 0.2326 -0.0083 0.0185 -0.0279 52 PHE G CG 9529 C CD1 . PHE G 47 ? 0.2170 0.3337 0.2555 0.0000 0.0199 -0.0212 52 PHE G CD1 9530 C CD2 . PHE G 47 ? 0.2168 0.3564 0.2533 -0.0228 0.0256 -0.0386 52 PHE G CD2 9531 C CE1 . PHE G 47 ? 0.2373 0.3346 0.2690 -0.0028 0.0277 -0.0229 52 PHE G CE1 9532 C CE2 . PHE G 47 ? 0.2580 0.3730 0.2865 -0.0275 0.0350 -0.0415 52 PHE G CE2 9533 C CZ . PHE G 47 ? 0.2322 0.3254 0.2582 -0.0159 0.0357 -0.0326 52 PHE G CZ 9534 N N . LEU G 48 ? 0.1724 0.2685 0.1884 -0.0046 0.0284 -0.0278 53 LEU G N 9535 C CA . LEU G 48 ? 0.1940 0.2616 0.1922 -0.0099 0.0423 -0.0327 53 LEU G CA 9536 C C . LEU G 48 ? 0.2700 0.3160 0.2598 -0.0120 0.0528 -0.0340 53 LEU G C 9537 O O . LEU G 48 ? 0.2905 0.3254 0.2701 -0.0267 0.0643 -0.0444 53 LEU G O 9538 C CB . LEU G 48 ? 0.1953 0.2460 0.1843 0.0028 0.0451 -0.0255 53 LEU G CB 9539 C CG . LEU G 48 ? 0.2243 0.2901 0.2185 0.0052 0.0369 -0.0242 53 LEU G CG 9540 C CD1 . LEU G 48 ? 0.2155 0.2727 0.2050 0.0200 0.0374 -0.0156 53 LEU G CD1 9541 C CD2 . LEU G 48 ? 0.2543 0.3180 0.2402 -0.0083 0.0430 -0.0341 53 LEU G CD2 9542 N N . PHE G 49 ? 0.2243 0.2646 0.2164 0.0013 0.0505 -0.0246 54 PHE G N 9543 C CA . PHE G 49 ? 0.2390 0.2573 0.2212 0.0024 0.0608 -0.0239 54 PHE G CA 9544 C C . PHE G 49 ? 0.2847 0.3152 0.2786 0.0108 0.0524 -0.0168 54 PHE G C 9545 O O . PHE G 49 ? 0.2709 0.3189 0.2749 0.0195 0.0421 -0.0103 54 PHE G O 9546 C CB . PHE G 49 ? 0.2857 0.2704 0.2452 0.0143 0.0758 -0.0182 54 PHE G CB 9547 C CG . PHE G 49 ? 0.3314 0.2950 0.2740 0.0088 0.0882 -0.0236 54 PHE G CG 9548 C CD1 . PHE G 49 ? 0.4045 0.3439 0.3310 -0.0088 0.1050 -0.0356 54 PHE G CD1 9549 C CD2 . PHE G 49 ? 0.3509 0.3180 0.2920 0.0195 0.0850 -0.0177 54 PHE G CD2 9550 C CE1 . PHE G 49 ? 0.4468 0.3638 0.3550 -0.0165 0.1193 -0.0420 54 PHE G CE1 9551 C CE2 . PHE G 49 ? 0.4138 0.3590 0.3380 0.0141 0.0978 -0.0227 54 PHE G CE2 9552 C CZ . PHE G 49 ? 0.4265 0.3456 0.3337 -0.0041 0.1154 -0.0349 54 PHE G CZ 9553 N N . THR G 50 ? 0.2553 0.2746 0.2458 0.0068 0.0587 -0.0189 55 THR G N 9554 C CA . THR G 50 ? 0.2462 0.2721 0.2443 0.0137 0.0537 -0.0128 55 THR G CA 9555 C C . THR G 50 ? 0.3233 0.3207 0.3029 0.0219 0.0672 -0.0087 55 THR G C 9556 O O . THR G 50 ? 0.3449 0.3169 0.3101 0.0137 0.0812 -0.0150 55 THR G O 9557 C CB . THR G 50 ? 0.3559 0.3987 0.3688 0.0031 0.0478 -0.0179 55 THR G CB 9558 O OG1 . THR G 50 ? 0.3465 0.4156 0.3736 0.0005 0.0371 -0.0188 55 THR G OG1 9559 C CG2 . THR G 50 ? 0.3180 0.3641 0.3368 0.0093 0.0443 -0.0119 55 THR G CG2 9560 N N . LEU G 51 ? 0.2831 0.2863 0.2613 0.0375 0.0645 0.0013 56 LEU G N 9561 C CA . LEU G 51 ? 0.3069 0.2885 0.2666 0.0507 0.0768 0.0083 56 LEU G CA 9562 C C . LEU G 51 ? 0.3414 0.3419 0.3111 0.0549 0.0690 0.0128 56 LEU G C 9563 O O . LEU G 51 ? 0.3210 0.3515 0.3053 0.0562 0.0564 0.0149 56 LEU G O 9564 C CB . LEU G 51 ? 0.3265 0.3017 0.2699 0.0700 0.0838 0.0177 56 LEU G CB 9565 C CG . LEU G 51 ? 0.4003 0.3566 0.3327 0.0668 0.0921 0.0140 56 LEU G CG 9566 C CD1 . LEU G 51 ? 0.4004 0.3696 0.3282 0.0853 0.0904 0.0235 56 LEU G CD1 9567 C CD2 . LEU G 51 ? 0.4779 0.3873 0.3837 0.0635 0.1152 0.0104 56 LEU G CD2 9568 N N . TYR G 52 ? 0.3110 0.2932 0.2727 0.0536 0.0773 0.0123 57 TYR G N 9569 C CA . TYR G 52 ? 0.2968 0.2944 0.2665 0.0561 0.0715 0.0158 57 TYR G CA 9570 C C . TYR G 52 ? 0.3903 0.3844 0.3431 0.0760 0.0791 0.0265 57 TYR G C 9571 O O . TYR G 52 ? 0.3798 0.3986 0.3395 0.0806 0.0720 0.0304 57 TYR G O 9572 C CB . TYR G 52 ? 0.3042 0.2903 0.2792 0.0412 0.0737 0.0081 57 TYR G CB 9573 C CG . TYR G 52 ? 0.3045 0.2983 0.2938 0.0240 0.0682 -0.0019 57 TYR G CG 9574 C CD1 . TYR G 52 ? 0.2970 0.3182 0.3067 0.0185 0.0549 -0.0031 57 TYR G CD1 9575 C CD2 . TYR G 52 ? 0.3288 0.3037 0.3090 0.0133 0.0782 -0.0103 57 TYR G CD2 9576 C CE1 . TYR G 52 ? 0.2882 0.3209 0.3094 0.0071 0.0505 -0.0101 57 TYR G CE1 9577 C CE2 . TYR G 52 ? 0.3272 0.3188 0.3207 -0.0017 0.0726 -0.0195 57 TYR G CE2 9578 C CZ . TYR G 52 ? 0.3944 0.4164 0.4086 -0.0027 0.0581 -0.0182 57 TYR G CZ 9579 O OH . TYR G 52 ? 0.3919 0.4341 0.4173 -0.0134 0.0534 -0.0254 57 TYR G OH 9580 N N . SER G 53 ? 0.3922 0.3556 0.3206 0.0884 0.0954 0.0315 58 SER G N 9581 C CA . SER G 53 ? 0.4213 0.3726 0.3281 0.1094 0.1076 0.0427 58 SER G CA 9582 C C . SER G 53 ? 0.5151 0.4552 0.3983 0.1338 0.1203 0.0542 58 SER G C 9583 O O . SER G 53 ? 0.5297 0.4426 0.4018 0.1312 0.1304 0.0513 58 SER G O 9584 C CB . SER G 53 ? 0.4968 0.4059 0.3885 0.1019 0.1234 0.0384 58 SER G CB 9585 O OG . SER G 53 ? 0.6164 0.5331 0.5057 0.1106 0.1232 0.0444 58 SER G OG 9586 N N . ALA G 54 ? 0.4875 0.4497 0.3613 0.1582 0.1213 0.0674 59 ALA G N 9587 C CA . ALA G 54 ? 0.5203 0.4797 0.3713 0.1868 0.1334 0.0811 59 ALA G CA 9588 C C . ALA G 54 ? 0.6466 0.5407 0.4616 0.1974 0.1621 0.0858 59 ALA G C 9589 O O . ALA G 54 ? 0.6668 0.5273 0.4674 0.1953 0.1750 0.0851 59 ALA G O 9590 C CB . ALA G 54 ? 0.5241 0.5300 0.3732 0.2108 0.1281 0.0940 59 ALA G CB 9591 N N . GLY G 55 ? 0.6359 0.5099 0.4347 0.2078 0.1740 0.0898 63 GLY G N 9592 C CA . GLY G 55 ? 0.6877 0.4933 0.4514 0.2110 0.2039 0.0903 63 GLY G CA 9593 C C . GLY G 55 ? 0.7318 0.5086 0.5034 0.1753 0.2055 0.0704 63 GLY G C 9594 O O . GLY G 55 ? 0.7684 0.4896 0.5120 0.1703 0.2309 0.0662 63 GLY G O 9595 N N . GLU G 56 ? 0.6358 0.4518 0.4441 0.1503 0.1799 0.0578 64 GLU G N 9596 C CA . GLU G 56 ? 0.6211 0.4235 0.4398 0.1182 0.1785 0.0396 64 GLU G CA 9597 C C . GLU G 56 ? 0.6655 0.4654 0.4811 0.1182 0.1803 0.0382 64 GLU G C 9598 O O . GLU G 56 ? 0.6344 0.4647 0.4574 0.1355 0.1696 0.0479 64 GLU G O 9599 C CB . GLU G 56 ? 0.5837 0.4299 0.4401 0.0968 0.1520 0.0295 64 GLU G CB 9600 C CG . GLU G 56 ? 0.6686 0.5005 0.5313 0.0674 0.1548 0.0128 64 GLU G CG 9601 C CD . GLU G 56 ? 0.8016 0.6739 0.6967 0.0542 0.1321 0.0075 64 GLU G CD 9602 O OE1 . GLU G 56 ? 0.5711 0.4702 0.4879 0.0400 0.1175 -0.0001 64 GLU G OE1 9603 O OE2 . GLU G 56 ? 0.7186 0.5940 0.6159 0.0581 0.1305 0.0111 64 GLU G OE2 9604 N N . GLU G 57 ? 0.6485 0.4141 0.4525 0.0969 0.1946 0.0249 65 GLU G N 9605 C CA . GLU G 57 ? 0.6518 0.4154 0.4542 0.0918 0.1958 0.0209 65 GLU G CA 9606 C C . GLU G 57 ? 0.6868 0.4455 0.4972 0.0561 0.1961 0.0000 65 GLU G C 9607 O O . GLU G 57 ? 0.7053 0.4427 0.5079 0.0376 0.2076 -0.0112 65 GLU G O 9608 C CB . GLU G 57 ? 0.7260 0.4430 0.4894 0.1147 0.2241 0.0320 65 GLU G CB 9609 C CG . GLU G 57 ? 0.9716 0.6209 0.6940 0.1138 0.2599 0.0301 65 GLU G CG 9610 C CD . GLU G 57 ? 1.3965 0.9931 1.0764 0.1367 0.2918 0.0413 65 GLU G CD 9611 O OE1 . GLU G 57 ? 1.3678 0.9784 1.0409 0.1731 0.2908 0.0618 65 GLU G OE1 9612 O OE2 . GLU G 57 ? 1.4163 0.9585 1.0678 0.1180 0.3198 0.0292 65 GLU G OE2 9613 N N . LYS G 58 ? 0.5978 0.3833 0.4256 0.0465 0.1819 -0.0056 66 LYS G N 9614 C CA . LYS G 58 ? 0.5795 0.3742 0.4173 0.0152 0.1790 -0.0244 66 LYS G CA 9615 C C . LYS G 58 ? 0.6378 0.4260 0.4676 0.0138 0.1835 -0.0264 66 LYS G C 9616 O O . LYS G 58 ? 0.6162 0.4184 0.4510 0.0348 0.1743 -0.0137 66 LYS G O 9617 C CB . LYS G 58 ? 0.5464 0.3960 0.4222 0.0042 0.1499 -0.0289 66 LYS G CB 9618 C CG . LYS G 58 ? 0.6153 0.4684 0.4979 -0.0035 0.1487 -0.0326 66 LYS G CG 9619 C CD . LYS G 58 ? 0.6082 0.5114 0.5247 -0.0121 0.1234 -0.0360 66 LYS G CD 9620 C CE . LYS G 58 ? 0.5984 0.5035 0.5200 -0.0222 0.1246 -0.0415 66 LYS G CE 9621 N NZ . LYS G 58 ? 0.5814 0.5328 0.5337 -0.0262 0.1022 -0.0421 66 LYS G NZ 9622 N N . GLU G 59 ? 0.6178 0.3867 0.4346 -0.0123 0.1987 -0.0433 67 GLU G N 9623 C CA . GLU G 59 ? 0.6293 0.3890 0.4362 -0.0179 0.2056 -0.0478 67 GLU G CA 9624 C C . GLU G 59 ? 0.6589 0.4453 0.4779 -0.0504 0.1995 -0.0678 67 GLU G C 9625 O O . GLU G 59 ? 0.6716 0.4502 0.4824 -0.0759 0.2119 -0.0841 67 GLU G O 9626 C CB . GLU G 59 ? 0.7125 0.4038 0.4744 -0.0133 0.2431 -0.0469 67 GLU G CB 9627 C CG . GLU G 59 ? 0.8699 0.5417 0.6160 0.0122 0.2510 -0.0324 67 GLU G CG 9628 C CD . GLU G 59 ? 1.2397 0.8400 0.9381 0.0110 0.2921 -0.0351 67 GLU G CD 9629 O OE1 . GLU G 59 ? 1.2683 0.8327 0.9451 -0.0119 0.3153 -0.0496 67 GLU G OE1 9630 O OE2 . GLU G 59 ? 1.1838 0.7616 0.8640 0.0323 0.3037 -0.0234 67 GLU G OE2 9631 N N . LYS G 60 ? 0.5818 0.4020 0.4191 -0.0493 0.1813 -0.0667 68 LYS G N 9632 C CA . LYS G 60 ? 0.5748 0.4224 0.4203 -0.0770 0.1769 -0.0842 68 LYS G CA 9633 C C . LYS G 60 ? 0.6363 0.4798 0.4762 -0.0723 0.1774 -0.0818 68 LYS G C 9634 O O . LYS G 60 ? 0.6074 0.4724 0.4640 -0.0521 0.1589 -0.0685 68 LYS G O 9635 C CB . LYS G 60 ? 0.5560 0.4654 0.4367 -0.0832 0.1488 -0.0869 68 LYS G CB 9636 C CG . LYS G 60 ? 0.7381 0.6766 0.6214 -0.1128 0.1495 -0.1065 68 LYS G CG 9637 C CD . LYS G 60 ? 0.8132 0.8169 0.7290 -0.1138 0.1223 -0.1066 68 LYS G CD 9638 C CE . LYS G 60 ? 0.9642 1.0041 0.8807 -0.1445 0.1257 -0.1276 68 LYS G CE 9639 N NZ . LYS G 60 ? 1.0848 1.1022 0.9822 -0.1692 0.1488 -0.1446 68 LYS G NZ 9640 N N . GLU G 61 ? 0.6324 0.4495 0.4485 -0.0935 0.1994 -0.0962 74 GLU G N 9641 C CA . GLU G 61 ? 0.6397 0.4488 0.4474 -0.0916 0.2028 -0.0955 74 GLU G CA 9642 C C . GLU G 61 ? 0.7059 0.4795 0.4991 -0.0591 0.2105 -0.0758 74 GLU G C 9643 O O . GLU G 61 ? 0.7443 0.4660 0.5079 -0.0486 0.2361 -0.0702 74 GLU G O 9644 C CB . GLU G 61 ? 0.6125 0.4813 0.4502 -0.0985 0.1753 -0.0991 74 GLU G CB 9645 C CG . GLU G 61 ? 0.7609 0.6641 0.6046 -0.1318 0.1746 -0.1206 74 GLU G CG 9646 C CD . GLU G 61 ? 1.0132 0.9742 0.8810 -0.1367 0.1511 -0.1235 74 GLU G CD 9647 O OE1 . GLU G 61 ? 0.8649 0.8196 0.7236 -0.1410 0.1556 -0.1266 74 GLU G OE1 9648 O OE2 . GLU G 61 ? 0.9190 0.9299 0.8130 -0.1347 0.1295 -0.1218 74 GLU G OE2 9649 N N . ARG G 62 ? 0.6204 0.4232 0.4326 -0.0426 0.1898 -0.0651 75 ARG G N 9650 C CA . ARG G 62 ? 0.6174 0.3978 0.4183 -0.0120 0.1953 -0.0471 75 ARG G CA 9651 C C . ARG G 62 ? 0.6206 0.4222 0.4381 0.0143 0.1793 -0.0304 75 ARG G C 9652 O O . ARG G 62 ? 0.6172 0.4159 0.4306 0.0405 0.1794 -0.0154 75 ARG G O 9653 C CB . ARG G 62 ? 0.5890 0.3872 0.3981 -0.0095 0.1851 -0.0457 75 ARG G CB 9654 C CG . ARG G 62 ? 0.6778 0.4600 0.4711 -0.0373 0.2000 -0.0633 75 ARG G CG 9655 C CD . ARG G 62 ? 0.6756 0.4679 0.4729 -0.0309 0.1928 -0.0596 75 ARG G CD 9656 N NE . ARG G 62 ? 0.6717 0.5186 0.4992 -0.0424 0.1654 -0.0655 75 ARG G NE 9657 C CZ . ARG G 62 ? 0.8276 0.6971 0.6603 -0.0708 0.1626 -0.0828 75 ARG G CZ 9658 N NH1 . ARG G 62 ? 0.6482 0.4923 0.4593 -0.0948 0.1852 -0.0983 75 ARG G NH1 9659 N NH2 . ARG G 62 ? 0.6525 0.5718 0.5103 -0.0751 0.1387 -0.0847 75 ARG G NH2 9660 N N . LEU G 63 ? 0.5352 0.3616 0.3712 0.0062 0.1660 -0.0340 76 LEU G N 9661 C CA . LEU G 63 ? 0.4950 0.3438 0.3471 0.0270 0.1510 -0.0206 76 LEU G CA 9662 C C . LEU G 63 ? 0.5427 0.3664 0.3810 0.0324 0.1644 -0.0174 76 LEU G C 9663 O O . LEU G 63 ? 0.5532 0.3569 0.3812 0.0133 0.1770 -0.0290 76 LEU G O 9664 C CB . LEU G 63 ? 0.4452 0.3462 0.3318 0.0191 0.1223 -0.0234 76 LEU G CB 9665 C CG . LEU G 63 ? 0.4831 0.4101 0.3834 0.0204 0.1079 -0.0226 76 LEU G CG 9666 C CD1 . LEU G 63 ? 0.4479 0.4185 0.3764 0.0115 0.0849 -0.0262 76 LEU G CD1 9667 C CD2 . LEU G 63 ? 0.5075 0.4386 0.4070 0.0456 0.1050 -0.0082 76 LEU G CD2 9668 N N . LYS G 64 ? 0.4876 0.3138 0.3241 0.0594 0.1628 -0.0014 77 LYS G N 9669 C CA . LYS G 64 ? 0.4982 0.3039 0.3218 0.0692 0.1742 0.0044 77 LYS G CA 9670 C C . LYS G 64 ? 0.5163 0.3628 0.3605 0.0894 0.1541 0.0173 77 LYS G C 9671 O O . LYS G 64 ? 0.5046 0.3696 0.3503 0.1110 0.1490 0.0291 77 LYS G O 9672 C CB . LYS G 64 ? 0.5874 0.3345 0.3691 0.0856 0.2079 0.0121 77 LYS G CB 9673 C CG . LYS G 64 ? 0.7740 0.4903 0.5368 0.0914 0.2247 0.0154 77 LYS G CG 9674 C CD . LYS G 64 ? 0.9582 0.6054 0.6730 0.1048 0.2642 0.0213 77 LYS G CD 9675 C CE . LYS G 64 ? 1.0930 0.7355 0.7908 0.1475 0.2723 0.0453 77 LYS G CE 9676 N NZ . LYS G 64 ? 1.2448 0.8188 0.8966 0.1596 0.3108 0.0510 77 LYS G NZ 9677 N N . ALA G 65 ? 0.4636 0.3270 0.3237 0.0803 0.1433 0.0136 78 ALA G N 9678 C CA . ALA G 65 ? 0.4326 0.3335 0.3111 0.0940 0.1261 0.0228 78 ALA G CA 9679 C C . ALA G 65 ? 0.5234 0.4027 0.3833 0.1097 0.1403 0.0316 78 ALA G C 9680 O O . ALA G 65 ? 0.5578 0.4006 0.4021 0.0988 0.1563 0.0252 78 ALA G O 9681 C CB . ALA G 65 ? 0.3986 0.3332 0.3070 0.0742 0.1049 0.0135 78 ALA G CB 9682 N N . THR G 66 ? 0.4743 0.3774 0.3338 0.1352 0.1361 0.0459 79 THR G N 9683 C CA . THR G 66 ? 0.4931 0.3848 0.3352 0.1553 0.1477 0.0571 79 THR G CA 9684 C C . THR G 66 ? 0.5053 0.4504 0.3715 0.1597 0.1264 0.0608 79 THR G C 9685 O O . THR G 66 ? 0.4682 0.4550 0.3580 0.1532 0.1073 0.0576 79 THR G O 9686 C CB . THR G 66 ? 0.6251 0.4934 0.4349 0.1873 0.1694 0.0730 79 THR G CB 9687 O OG1 . THR G 66 ? 0.6059 0.5198 0.4272 0.2035 0.1565 0.0810 79 THR G OG1 9688 C CG2 . THR G 66 ? 0.6774 0.4837 0.4574 0.1819 0.1961 0.0687 79 THR G CG2 9689 N N . LEU G 67 ? 0.4627 0.4049 0.3213 0.1691 0.1313 0.0667 80 LEU G N 9690 C CA . LEU G 67 ? 0.4236 0.4154 0.3026 0.1707 0.1133 0.0688 80 LEU G CA 9691 C C . LEU G 67 ? 0.5256 0.5247 0.3859 0.1989 0.1230 0.0837 80 LEU G C 9692 O O . LEU G 67 ? 0.5613 0.5163 0.3969 0.2077 0.1424 0.0885 80 LEU G O 9693 C CB . LEU G 67 ? 0.3932 0.3847 0.2927 0.1431 0.1024 0.0558 80 LEU G CB 9694 C CG . LEU G 67 ? 0.4065 0.4447 0.3287 0.1374 0.0844 0.0542 80 LEU G CG 9695 C CD1 . LEU G 67 ? 0.3694 0.4473 0.3125 0.1289 0.0682 0.0495 80 LEU G CD1 9696 C CD2 . LEU G 67 ? 0.4265 0.4527 0.3606 0.1164 0.0804 0.0447 80 LEU G CD2 9697 N N . THR G 68 ? 0.4841 0.5413 0.3551 0.2121 0.1104 0.0902 81 THR G N 9698 C CA . THR G 68 ? 0.5086 0.5932 0.3673 0.2382 0.1145 0.1037 81 THR G CA 9699 C C . THR G 68 ? 0.5576 0.6944 0.4430 0.2212 0.0943 0.0956 81 THR G C 9700 O O . THR G 68 ? 0.5211 0.6596 0.4294 0.1921 0.0815 0.0813 81 THR G O 9701 C CB . THR G 68 ? 0.5798 0.6930 0.4219 0.2728 0.1217 0.1197 81 THR G CB 9702 O OG1 . THR G 68 ? 0.5391 0.7095 0.4045 0.2648 0.1036 0.1139 81 THR G OG1 9703 C CG2 . THR G 68 ? 0.6060 0.6607 0.4171 0.2912 0.1460 0.1287 81 THR G CG2 9704 N N . LYS G 69 ? 0.5456 0.7245 0.4259 0.2396 0.0932 0.1047 82 LYS G N 9705 C CA . LYS G 69 ? 0.5169 0.7464 0.4182 0.2232 0.0773 0.0966 82 LYS G CA 9706 C C . LYS G 69 ? 0.5420 0.8277 0.4651 0.2090 0.0618 0.0872 82 LYS G C 9707 O O . LYS G 69 ? 0.5168 0.8241 0.4596 0.1828 0.0503 0.0742 82 LYS G O 9708 C CB . LYS G 69 ? 0.5660 0.8297 0.4529 0.2483 0.0820 0.1092 82 LYS G CB 9709 C CG . LYS G 69 ? 0.8122 1.0210 0.6768 0.2602 0.0982 0.1174 82 LYS G CG 9710 C CD . LYS G 69 ? 0.9235 1.1328 0.8013 0.2380 0.0907 0.1079 82 LYS G CD 9711 C CE . LYS G 69 ? 1.0349 1.1854 0.9213 0.2103 0.0918 0.0953 82 LYS G CE 9712 N NZ . LYS G 69 ? 1.1194 1.2629 1.0122 0.1958 0.0893 0.0898 82 LYS G NZ 9713 N N . LYS G 70 ? 0.4954 0.8013 0.4125 0.2260 0.0639 0.0937 85 LYS G N 9714 C CA . LYS G 70 ? 0.4644 0.8250 0.3986 0.2148 0.0518 0.0853 85 LYS G CA 9715 C C . LYS G 70 ? 0.4984 0.8267 0.4438 0.1946 0.0480 0.0752 85 LYS G C 9716 O O . LYS G 70 ? 0.4721 0.8244 0.4360 0.1700 0.0374 0.0619 85 LYS G O 9717 C CB . LYS G 70 ? 0.5118 0.9237 0.4335 0.2471 0.0558 0.0987 85 LYS G CB 9718 C CG . LYS G 70 ? 0.7280 1.1951 0.6410 0.2678 0.0569 0.1080 85 LYS G CG 9719 C CD . LYS G 70 ? 0.8815 1.3807 0.7732 0.3112 0.0669 0.1279 85 LYS G CD 9720 C CE . LYS G 70 ? 0.9861 1.5784 0.8893 0.3136 0.0568 0.1244 85 LYS G CE 9721 N NZ . LYS G 70 ? 1.1023 1.7409 0.9839 0.3608 0.0664 0.1461 85 LYS G NZ 9722 N N . GLU G 71 ? 0.4562 0.7313 0.3880 0.2050 0.0584 0.0814 86 GLU G N 9723 C CA . GLU G 71 ? 0.4291 0.6793 0.3697 0.1888 0.0553 0.0730 86 GLU G CA 9724 C C . GLU G 71 ? 0.4588 0.6400 0.3881 0.1855 0.0662 0.0730 86 GLU G C 9725 O O . GLU G 71 ? 0.4823 0.6286 0.3952 0.1948 0.0782 0.0790 86 GLU G O 9726 C CB . GLU G 71 ? 0.4501 0.7319 0.3871 0.2047 0.0556 0.0783 86 GLU G CB 9727 C CG . GLU G 71 ? 0.5760 0.8414 0.4864 0.2401 0.0721 0.0958 86 GLU G CG 9728 C CD . GLU G 71 ? 0.7843 1.1154 0.6886 0.2678 0.0722 0.1072 86 GLU G CD 9729 O OE1 . GLU G 71 ? 0.6586 1.0419 0.5769 0.2619 0.0620 0.1014 86 GLU G OE1 9730 O OE2 . GLU G 71 ? 0.7784 1.1104 0.6625 0.2963 0.0836 0.1221 86 GLU G OE2 9731 N N . SER G 72 ? 0.3677 0.5319 0.3048 0.1709 0.0628 0.0652 87 SER G N 9732 C CA . SER G 72 ? 0.3652 0.4750 0.2939 0.1627 0.0717 0.0617 87 SER G CA 9733 C C . SER G 72 ? 0.3913 0.4964 0.3142 0.1693 0.0753 0.0635 87 SER G C 9734 O O . SER G 72 ? 0.3581 0.4996 0.2947 0.1656 0.0642 0.0604 87 SER G O 9735 C CB . SER G 72 ? 0.3835 0.4831 0.3312 0.1337 0.0617 0.0481 87 SER G CB 9736 O OG . SER G 72 ? 0.4669 0.5249 0.4083 0.1230 0.0690 0.0425 87 SER G OG 9737 N N . PHE G 73 ? 0.3624 0.4201 0.2631 0.1774 0.0927 0.0674 88 PHE G N 9738 C CA . PHE G 73 ? 0.3636 0.4095 0.2561 0.1826 0.0987 0.0687 88 PHE G CA 9739 C C . PHE G 73 ? 0.3884 0.3964 0.2824 0.1582 0.1011 0.0562 88 PHE G C 9740 O O . PHE G 73 ? 0.3874 0.3605 0.2734 0.1469 0.1100 0.0510 88 PHE G O 9741 C CB . PHE G 73 ? 0.4317 0.4546 0.2928 0.2142 0.1206 0.0841 88 PHE G CB 9742 C CG . PHE G 73 ? 0.4539 0.5289 0.3142 0.2423 0.1169 0.0975 88 PHE G CG 9743 C CD1 . PHE G 73 ? 0.4781 0.5976 0.3484 0.2497 0.1078 0.0994 88 PHE G CD1 9744 C CD2 . PHE G 73 ? 0.4937 0.5780 0.3429 0.2611 0.1229 0.1078 88 PHE G CD2 9745 C CE1 . PHE G 73 ? 0.4878 0.6656 0.3579 0.2743 0.1044 0.1103 88 PHE G CE1 9746 C CE2 . PHE G 73 ? 0.5250 0.6671 0.3733 0.2876 0.1192 0.1199 88 PHE G CE2 9747 C CZ . PHE G 73 ? 0.4881 0.6796 0.3475 0.2933 0.1097 0.1205 88 PHE G CZ 9748 N N . LEU G 74 ? 0.3162 0.3349 0.2203 0.1495 0.0933 0.0509 89 LEU G N 9749 C CA . LEU G 74 ? 0.3123 0.3018 0.2160 0.1285 0.0961 0.0397 89 LEU G CA 9750 C C . LEU G 74 ? 0.3980 0.3625 0.2809 0.1400 0.1114 0.0442 89 LEU G C 9751 O O . LEU G 74 ? 0.3856 0.3734 0.2751 0.1464 0.1044 0.0467 89 LEU G O 9752 C CB . LEU G 74 ? 0.2684 0.2853 0.1986 0.1071 0.0763 0.0291 89 LEU G CB 9753 C CG . LEU G 74 ? 0.3222 0.3168 0.2525 0.0853 0.0785 0.0173 89 LEU G CG 9754 C CD1 . LEU G 74 ? 0.3267 0.3043 0.2555 0.0722 0.0832 0.0109 89 LEU G CD1 9755 C CD2 . LEU G 74 ? 0.3315 0.3537 0.2828 0.0723 0.0616 0.0109 89 LEU G CD2 9756 N N . HIS G 75 ? 0.4036 0.3182 0.2587 0.1433 0.1349 0.0454 90 HIS G N 9757 C CA . HIS G 75 ? 0.4504 0.3273 0.2783 0.1536 0.1564 0.0495 90 HIS G CA 9758 C C . HIS G 75 ? 0.4855 0.3460 0.3163 0.1260 0.1565 0.0341 90 HIS G C 9759 O O . HIS G 75 ? 0.4626 0.3122 0.2978 0.1011 0.1561 0.0209 90 HIS G O 9760 C CB . HIS G 75 ? 0.5235 0.3473 0.3150 0.1683 0.1863 0.0569 90 HIS G CB 9761 C CG . HIS G 75 ? 0.5803 0.4213 0.3669 0.1964 0.1872 0.0725 90 HIS G CG 9762 N ND1 . HIS G 75 ? 0.6138 0.4817 0.3944 0.2297 0.1880 0.0894 90 HIS G ND1 9763 C CD2 . HIS G 75 ? 0.6120 0.4499 0.3983 0.1958 0.1877 0.0732 90 HIS G CD2 9764 C CE1 . HIS G 75 ? 0.6152 0.4979 0.3915 0.2485 0.1889 0.1000 90 HIS G CE1 9765 N NE2 . HIS G 75 ? 0.6184 0.4812 0.3977 0.2290 0.1889 0.0909 90 HIS G NE2 9766 N N . ILE G 76 ? 0.4589 0.3227 0.2879 0.1305 0.1566 0.0356 91 ILE G N 9767 C CA . ILE G 76 ? 0.4611 0.3126 0.2909 0.1068 0.1574 0.0221 91 ILE G CA 9768 C C . ILE G 76 ? 0.5581 0.3629 0.3544 0.1173 0.1848 0.0263 91 ILE G C 9769 O O . ILE G 76 ? 0.5552 0.3689 0.3473 0.1396 0.1860 0.0378 91 ILE G O 9770 C CB . ILE G 76 ? 0.4559 0.3558 0.3171 0.0974 0.1301 0.0176 91 ILE G CB 9771 C CG1 . ILE G 76 ? 0.4672 0.3561 0.3263 0.0768 0.1322 0.0055 91 ILE G CG1 9772 C CG2 . ILE G 76 ? 0.4502 0.3850 0.3210 0.1212 0.1196 0.0301 91 ILE G CG2 9773 C CD1 . ILE G 76 ? 0.4688 0.3987 0.3570 0.0596 0.1074 -0.0030 91 ILE G CD1 9774 N N . THR G 77 ? 0.5664 0.3207 0.3368 0.1008 0.2092 0.0165 92 THR G N 9775 C CA . THR G 77 ? 0.6323 0.3304 0.3646 0.1069 0.2416 0.0184 92 THR G CA 9776 C C . THR G 77 ? 0.6829 0.3782 0.4172 0.0806 0.2410 0.0032 92 THR G C 9777 O O . THR G 77 ? 0.6520 0.3630 0.4011 0.0489 0.2307 -0.0143 92 THR G O 9778 C CB . THR G 77 ? 0.8438 0.4816 0.5401 0.1036 0.2744 0.0160 92 THR G CB 9779 O OG1 . THR G 77 ? 0.8817 0.5281 0.5914 0.0701 0.2668 -0.0023 92 THR G OG1 9780 C CG2 . THR G 77 ? 0.8181 0.4478 0.5007 0.1400 0.2833 0.0365 92 THR G CG2 9781 N N . ALA G 78 ? 0.6648 0.3434 0.3837 0.0957 0.2524 0.0106 93 ALA G N 9782 C CA . ALA G 78 ? 0.6680 0.3405 0.3844 0.0765 0.2548 -0.0008 93 ALA G CA 9783 C C . ALA G 78 ? 0.6647 0.3940 0.4201 0.0519 0.2211 -0.0136 93 ALA G C 9784 O O . ALA G 78 ? 0.6581 0.3853 0.4134 0.0201 0.2230 -0.0318 93 ALA G O 9785 C CB . ALA G 78 ? 0.7381 0.3473 0.4165 0.0535 0.2905 -0.0149 93 ALA G CB 9786 N N . PRO G 79 ? 0.5799 0.3614 0.3667 0.0665 0.1920 -0.0045 94 PRO G N 9787 C CA . PRO G 79 ? 0.5327 0.3622 0.3521 0.0470 0.1635 -0.0144 94 PRO G CA 9788 C C . PRO G 79 ? 0.6042 0.4366 0.4238 0.0303 0.1619 -0.0244 94 PRO G C 9789 O O . PRO G 79 ? 0.6211 0.4309 0.4241 0.0398 0.1750 -0.0200 94 PRO G O 9790 C CB . PRO G 79 ? 0.5133 0.3859 0.3572 0.0685 0.1409 -0.0016 94 PRO G CB 9791 C CG . PRO G 79 ? 0.5921 0.4475 0.4177 0.0976 0.1556 0.0133 94 PRO G CG 9792 C CD . PRO G 79 ? 0.5872 0.3886 0.3796 0.1005 0.1853 0.0144 94 PRO G CD 9793 N N . LYS G 80 ? 0.5462 0.4102 0.3850 0.0074 0.1451 -0.0367 95 LYS G N 9794 C CA . LYS G 80 ? 0.5423 0.4212 0.3856 -0.0099 0.1390 -0.0469 95 LYS G CA 9795 C C . LYS G 80 ? 0.5600 0.4861 0.4329 -0.0014 0.1107 -0.0410 95 LYS G C 9796 O O . LYS G 80 ? 0.5300 0.4771 0.4194 0.0101 0.0973 -0.0333 95 LYS G O 9797 C CB . LYS G 80 ? 0.5776 0.4619 0.4174 -0.0413 0.1435 -0.0654 95 LYS G CB 9798 C CG . LYS G 80 ? 0.7438 0.5771 0.5494 -0.0568 0.1761 -0.0759 95 LYS G CG 9799 C CD . LYS G 80 ? 0.8546 0.7031 0.6591 -0.0904 0.1798 -0.0963 95 LYS G CD 9800 C CE . LYS G 80 ? 1.0577 0.8575 0.8257 -0.1141 0.2143 -0.1118 95 LYS G CE 9801 N NZ . LYS G 80 ? 1.2365 0.9791 0.9775 -0.1036 0.2412 -0.1060 95 LYS G NZ 9802 N N . PRO G 81 ? 0.5164 0.4576 0.3944 -0.0073 0.1028 -0.0445 96 PRO G N 9803 C CA . PRO G 81 ? 0.4774 0.4568 0.3793 0.0009 0.0797 -0.0388 96 PRO G CA 9804 C C . PRO G 81 ? 0.4975 0.5099 0.4185 -0.0058 0.0635 -0.0413 96 PRO G C 9805 O O . PRO G 81 ? 0.4700 0.5046 0.4071 0.0048 0.0491 -0.0342 96 PRO G O 9806 C CB . PRO G 81 ? 0.5029 0.4869 0.4017 -0.0078 0.0783 -0.0444 96 PRO G CB 9807 C CG . PRO G 81 ? 0.6006 0.5441 0.4734 -0.0133 0.1017 -0.0489 96 PRO G CG 9808 C CD . PRO G 81 ? 0.5665 0.4884 0.4269 -0.0219 0.1163 -0.0540 96 PRO G CD 9809 N N . GLU G 82 ? 0.4566 0.4718 0.3741 -0.0234 0.0681 -0.0516 97 GLU G N 9810 C CA . GLU G 82 ? 0.4279 0.4755 0.3612 -0.0294 0.0555 -0.0543 97 GLU G CA 9811 C C . GLU G 82 ? 0.4543 0.4999 0.3963 -0.0163 0.0516 -0.0455 97 GLU G C 9812 O O . GLU G 82 ? 0.4324 0.5035 0.3891 -0.0160 0.0401 -0.0442 97 GLU G O 9813 C CB . GLU G 82 ? 0.4643 0.5171 0.3892 -0.0531 0.0645 -0.0693 97 GLU G CB 9814 C CG . GLU G 82 ? 0.6335 0.6886 0.5464 -0.0709 0.0719 -0.0812 97 GLU G CG 9815 C CD . GLU G 82 ? 0.9432 0.9509 0.8294 -0.0815 0.0972 -0.0886 97 GLU G CD 9816 O OE1 . GLU G 82 ? 0.7364 0.7215 0.6120 -0.0754 0.1040 -0.0853 97 GLU G OE1 9817 O OE2 . GLU G 82 ? 0.9465 0.9371 0.8205 -0.0954 0.1123 -0.0976 97 GLU G OE2 9818 N N . ASP G 83 ? 0.4090 0.4251 0.3403 -0.0046 0.0626 -0.0390 98 ASP G N 9819 C CA . ASP G 83 ? 0.3871 0.4010 0.3235 0.0084 0.0611 -0.0306 98 ASP G CA 9820 C C . ASP G 83 ? 0.4010 0.4352 0.3518 0.0242 0.0477 -0.0208 98 ASP G C 9821 O O . ASP G 83 ? 0.3852 0.4253 0.3423 0.0335 0.0445 -0.0147 98 ASP G O 9822 C CB . ASP G 83 ? 0.4393 0.4151 0.3544 0.0160 0.0811 -0.0274 98 ASP G CB 9823 C CG . ASP G 83 ? 0.5618 0.5120 0.4595 -0.0024 0.0984 -0.0388 98 ASP G CG 9824 O OD1 . ASP G 83 ? 0.5636 0.5315 0.4706 -0.0168 0.0925 -0.0466 98 ASP G OD1 9825 O OD2 . ASP G 83 ? 0.6435 0.5551 0.5164 -0.0021 0.1198 -0.0399 98 ASP G OD2 9826 N N . SER G 84 ? 0.3397 0.3859 0.2951 0.0250 0.0408 -0.0205 99 SER G N 9827 C CA . SER G 84 ? 0.3158 0.3808 0.2825 0.0353 0.0305 -0.0142 99 SER G CA 9828 C C . SER G 84 ? 0.3411 0.4267 0.3221 0.0318 0.0195 -0.0144 99 SER G C 9829 O O . SER G 84 ? 0.3401 0.4355 0.3244 0.0236 0.0149 -0.0184 99 SER G O 9830 C CB . SER G 84 ? 0.3598 0.4276 0.3247 0.0354 0.0287 -0.0151 99 SER G CB 9831 O OG . SER G 84 ? 0.4949 0.5413 0.4451 0.0390 0.0407 -0.0147 99 SER G OG 9832 N N . ALA G 85 ? 0.2685 0.3618 0.2561 0.0388 0.0168 -0.0098 100 ALA G N 9833 C CA . ALA G 85 ? 0.2417 0.3485 0.2397 0.0367 0.0099 -0.0090 100 ALA G CA 9834 C C . ALA G 85 ? 0.2771 0.3917 0.2792 0.0431 0.0096 -0.0053 100 ALA G C 9835 O O . ALA G 85 ? 0.2683 0.3822 0.2656 0.0509 0.0140 -0.0025 100 ALA G O 9836 C CB . ALA G 85 ? 0.2526 0.3578 0.2521 0.0301 0.0103 -0.0119 100 ALA G CB 9837 N N . THR G 86 ? 0.2221 0.3455 0.2313 0.0405 0.0060 -0.0051 101 THR G N 9838 C CA . THR G 86 ? 0.2100 0.3434 0.2227 0.0425 0.0065 -0.0037 101 THR G CA 9839 C C . THR G 86 ? 0.2571 0.3850 0.2712 0.0430 0.0075 -0.0023 101 THR G C 9840 O O . THR G 86 ? 0.2473 0.3717 0.2649 0.0384 0.0058 -0.0033 101 THR G O 9841 C CB . THR G 86 ? 0.3249 0.4646 0.3403 0.0373 0.0062 -0.0056 101 THR G CB 9842 O OG1 . THR G 86 ? 0.3433 0.4842 0.3551 0.0361 0.0069 -0.0075 101 THR G OG1 9843 C CG2 . THR G 86 ? 0.2879 0.4408 0.3057 0.0351 0.0083 -0.0069 101 THR G CG2 9844 N N . TYR G 87 ? 0.2223 0.3506 0.2326 0.0500 0.0111 0.0005 102 TYR G N 9845 C CA . TYR G 87 ? 0.2262 0.3460 0.2350 0.0515 0.0140 0.0021 102 TYR G CA 9846 C C . TYR G 87 ? 0.2579 0.3929 0.2730 0.0512 0.0118 0.0030 102 TYR G C 9847 O O . TYR G 87 ? 0.2510 0.4043 0.2658 0.0562 0.0121 0.0044 102 TYR G O 9848 C CB . TYR G 87 ? 0.2616 0.3677 0.2579 0.0616 0.0226 0.0060 102 TYR G CB 9849 C CG . TYR G 87 ? 0.3052 0.3892 0.2927 0.0567 0.0282 0.0026 102 TYR G CG 9850 C CD1 . TYR G 87 ? 0.3372 0.4204 0.3213 0.0572 0.0285 0.0016 102 TYR G CD1 9851 C CD2 . TYR G 87 ? 0.3281 0.3937 0.3103 0.0489 0.0340 -0.0014 102 TYR G CD2 9852 C CE1 . TYR G 87 ? 0.3656 0.4301 0.3408 0.0499 0.0345 -0.0031 102 TYR G CE1 9853 C CE2 . TYR G 87 ? 0.3549 0.4038 0.3278 0.0399 0.0408 -0.0075 102 TYR G CE2 9854 C CZ . TYR G 87 ? 0.4534 0.5019 0.4228 0.0403 0.0409 -0.0083 102 TYR G CZ 9855 O OH . TYR G 87 ? 0.4952 0.5283 0.4542 0.0292 0.0487 -0.0156 102 TYR G OH 9856 N N . LEU G 88 ? 0.2010 0.3318 0.2216 0.0446 0.0100 0.0014 103 LEU G N 9857 C CA . LEU G 88 ? 0.1878 0.3292 0.2133 0.0417 0.0093 0.0012 103 LEU G CA 9858 C C . LEU G 88 ? 0.2639 0.4004 0.2887 0.0443 0.0113 0.0034 103 LEU G C 9859 O O . LEU G 88 ? 0.2643 0.3857 0.2880 0.0428 0.0128 0.0030 103 LEU G O 9860 C CB . LEU G 88 ? 0.1762 0.3146 0.2062 0.0342 0.0082 -0.0009 103 LEU G CB 9861 C CG . LEU G 88 ? 0.2304 0.3706 0.2584 0.0316 0.0086 -0.0027 103 LEU G CG 9862 C CD1 . LEU G 88 ? 0.2348 0.3658 0.2631 0.0301 0.0095 -0.0016 103 LEU G CD1 9863 C CD2 . LEU G 88 ? 0.2472 0.4006 0.2735 0.0267 0.0121 -0.0063 103 LEU G CD2 9864 N N . CYS G 89 ? 0.2426 0.3948 0.2674 0.0471 0.0121 0.0046 104 CYS G N 9865 C CA . CYS G 89 ? 0.2524 0.4037 0.2759 0.0504 0.0142 0.0072 104 CYS G CA 9866 C C . CYS G 89 ? 0.2841 0.4439 0.3142 0.0406 0.0130 0.0037 104 CYS G C 9867 O O . CYS G 89 ? 0.2820 0.4581 0.3138 0.0344 0.0131 0.0000 104 CYS G O 9868 C CB . CYS G 89 ? 0.2754 0.4426 0.2913 0.0638 0.0172 0.0123 104 CYS G CB 9869 S SG . CYS G 89 ? 0.3394 0.5046 0.3501 0.0715 0.0213 0.0173 104 CYS G SG 9870 N N . ALA G 90 ? 0.2212 0.3682 0.2538 0.0378 0.0138 0.0041 105 ALA G N 9871 C CA . ALA G 90 ? 0.2057 0.3550 0.2428 0.0293 0.0148 0.0016 105 ALA G CA 9872 C C . ALA G 90 ? 0.2430 0.3911 0.2794 0.0315 0.0163 0.0037 105 ALA G C 9873 O O . ALA G 90 ? 0.2505 0.3864 0.2831 0.0382 0.0175 0.0067 105 ALA G O 9874 C CB . ALA G 90 ? 0.2123 0.3469 0.2534 0.0245 0.0148 0.0008 105 ALA G CB 9875 N N . VAL G 91 ? 0.1809 0.3395 0.2189 0.0248 0.0181 0.0012 106 VAL G N 9876 C CA . VAL G 91 ? 0.1767 0.3357 0.2138 0.0264 0.0195 0.0030 106 VAL G CA 9877 C C . VAL G 91 ? 0.2331 0.3829 0.2745 0.0160 0.0223 0.0001 106 VAL G C 9878 O O . VAL G 91 ? 0.2276 0.3782 0.2691 0.0069 0.0258 -0.0039 106 VAL G O 9879 C CB . VAL G 91 ? 0.2171 0.4051 0.2495 0.0317 0.0198 0.0041 106 VAL G CB 9880 C CG1 . VAL G 91 ? 0.2203 0.4125 0.2453 0.0482 0.0197 0.0106 106 VAL G CG1 9881 C CG2 . VAL G 91 ? 0.2065 0.4217 0.2399 0.0200 0.0209 -0.0031 106 VAL G CG2 9882 N N . ALA G 92 ? 0.1943 0.3320 0.2369 0.0178 0.0230 0.0022 107 ALA G N 9883 C CA . ALA G 92 ? 0.1919 0.3230 0.2373 0.0104 0.0264 0.0006 107 ALA G CA 9884 C C . ALA G 92 ? 0.2209 0.3656 0.2629 0.0100 0.0277 0.0004 107 ALA G C 9885 O O . ALA G 92 ? 0.2135 0.3606 0.2516 0.0193 0.0265 0.0042 107 ALA G O 9886 C CB . ALA G 92 ? 0.2057 0.3188 0.2556 0.0119 0.0262 0.0023 107 ALA G CB 9887 N N . LEU G 93 ? 0.1625 0.3154 0.2038 -0.0007 0.0319 -0.0041 108 LEU G N 9888 C CA . LEU G 93 ? 0.1475 0.3228 0.1851 -0.0029 0.0330 -0.0058 108 LEU G CA 9889 C C . LEU G 93 ? 0.2078 0.3769 0.2452 -0.0137 0.0386 -0.0092 108 LEU G C 9890 O O . LEU G 93 ? 0.2086 0.3634 0.2458 -0.0242 0.0450 -0.0131 108 LEU G O 9891 C CB . LEU G 93 ? 0.1414 0.3497 0.1754 -0.0086 0.0335 -0.0112 108 LEU G CB 9892 C CG . LEU G 93 ? 0.1815 0.4057 0.2144 0.0020 0.0287 -0.0084 108 LEU G CG 9893 C CD1 . LEU G 93 ? 0.1764 0.4317 0.2072 -0.0098 0.0312 -0.0170 108 LEU G CD1 9894 C CD2 . LEU G 93 ? 0.2024 0.4403 0.2310 0.0198 0.0254 -0.0003 108 LEU G CD2 9895 N N . ASN G 94 ? 0.1711 0.3514 0.2062 -0.0101 0.0377 -0.0073 109 ASN G N 9896 C CA . ASN G 94 ? 0.1720 0.3515 0.2059 -0.0210 0.0430 -0.0112 109 ASN G CA 9897 C C . ASN G 94 ? 0.2489 0.4449 0.2784 -0.0403 0.0507 -0.0215 109 ASN G C 9898 O O . ASN G 94 ? 0.2597 0.4375 0.2873 -0.0521 0.0591 -0.0256 109 ASN G O 9899 C CB . ASN G 94 ? 0.1745 0.3680 0.2048 -0.0118 0.0405 -0.0068 109 ASN G CB 9900 C CG . ASN G 94 ? 0.3838 0.5491 0.4147 0.0015 0.0387 0.0009 109 ASN G CG 9901 O OD1 . ASN G 94 ? 0.3168 0.4552 0.3532 -0.0005 0.0394 0.0011 109 ASN G OD1 9902 N ND2 . ASN G 94 ? 0.2513 0.4244 0.2749 0.0149 0.0381 0.0069 109 ASN G ND2 9903 N N . ASN G 95 ? 0.2164 0.4462 0.2429 -0.0437 0.0495 -0.0263 110 ASN G N 9904 C CA . ASN G 95 ? 0.2301 0.4818 0.2502 -0.0656 0.0585 -0.0392 110 ASN G CA 9905 C C . ASN G 95 ? 0.2814 0.4996 0.2977 -0.0770 0.0689 -0.0440 110 ASN G C 9906 O O . ASN G 95 ? 0.3021 0.5213 0.3090 -0.0985 0.0823 -0.0557 110 ASN G O 9907 C CB . ASN G 95 ? 0.2779 0.5817 0.2968 -0.0639 0.0533 -0.0427 110 ASN G CB 9908 C CG . ASN G 95 ? 0.7468 1.0959 0.7641 -0.0576 0.0485 -0.0412 110 ASN G CG 9909 O OD1 . ASN G 95 ? 0.7227 1.0696 0.7413 -0.0354 0.0412 -0.0289 110 ASN G OD1 9910 N ND2 . ASN G 95 ? 0.6836 1.0768 0.6959 -0.0771 0.0540 -0.0540 110 ASN G ND2 9911 N N . ASN G 96 ? 0.2131 0.4027 0.2344 -0.0628 0.0644 -0.0354 111 ASN G N 9912 C CA . ASN G 96 ? 0.2081 0.3658 0.2246 -0.0673 0.0738 -0.0364 111 ASN G CA 9913 C C . ASN G 96 ? 0.2360 0.3583 0.2477 -0.0721 0.0857 -0.0354 111 ASN G C 9914 O O . ASN G 96 ? 0.2095 0.3290 0.2262 -0.0676 0.0821 -0.0314 111 ASN G O 9915 C CB . ASN G 96 ? 0.1649 0.3115 0.1886 -0.0493 0.0639 -0.0271 111 ASN G CB 9916 C CG . ASN G 96 ? 0.3440 0.5138 0.3683 -0.0465 0.0578 -0.0288 111 ASN G CG 9917 O OD1 . ASN G 96 ? 0.2756 0.4750 0.2955 -0.0574 0.0603 -0.0373 111 ASN G OD1 9918 N ND2 . ASN G 96 ? 0.2030 0.3621 0.2324 -0.0324 0.0503 -0.0216 111 ASN G ND2 9919 N N . ALA G 97 ? 0.2029 0.2967 0.2025 -0.0807 0.1021 -0.0387 112 ALA G N 9920 C CA . ALA G 97 ? 0.2104 0.2667 0.2011 -0.0827 0.1177 -0.0363 112 ALA G CA 9921 C C . ALA G 97 ? 0.2470 0.2818 0.2452 -0.0602 0.1122 -0.0223 112 ALA G C 9922 O O . ALA G 97 ? 0.2583 0.2643 0.2467 -0.0540 0.1248 -0.0174 112 ALA G O 9923 C CB . ALA G 97 ? 0.2475 0.2793 0.2170 -0.1000 0.1418 -0.0452 112 ALA G CB 9924 N N . GLY G 98 ? 0.1693 0.2205 0.1832 -0.0479 0.0947 -0.0163 113 GLY G N 9925 C CA . GLY G 98 ? 0.1562 0.1985 0.1788 -0.0301 0.0881 -0.0060 113 GLY G CA 9926 C C . GLY G 98 ? 0.1977 0.2584 0.2310 -0.0199 0.0718 -0.0031 113 GLY G C 9927 O O . GLY G 98 ? 0.1743 0.2547 0.2100 -0.0232 0.0638 -0.0070 113 GLY G O 9928 N N . ASN G 99 ? 0.1624 0.2187 0.2008 -0.0070 0.0683 0.0038 114 ASN G N 9929 C CA . ASN G 99 ? 0.1407 0.2118 0.1883 0.0011 0.0549 0.0058 114 ASN G CA 9930 C C . ASN G 99 ? 0.2045 0.2789 0.2488 0.0043 0.0531 0.0061 114 ASN G C 9931 O O . ASN G 99 ? 0.1980 0.2821 0.2483 0.0109 0.0441 0.0078 114 ASN G O 9932 C CB . ASN G 99 ? 0.0933 0.1660 0.1487 0.0101 0.0519 0.0107 114 ASN G CB 9933 C CG . ASN G 99 ? 0.2485 0.3200 0.3084 0.0062 0.0515 0.0093 114 ASN G CG 9934 O OD1 . ASN G 99 ? 0.1419 0.2039 0.2004 0.0067 0.0594 0.0117 114 ASN G OD1 9935 N ND2 . ASN G 99 ? 0.0644 0.1428 0.1275 0.0031 0.0444 0.0061 114 ASN G ND2 9936 N N . MET G 100 ? 0.1687 0.2357 0.2026 -0.0028 0.0622 0.0027 115 MET G N 9937 C CA . MET G 100 ? 0.1649 0.2344 0.1948 -0.0011 0.0613 0.0021 115 MET G CA 9938 C C . MET G 100 ? 0.2085 0.2990 0.2447 -0.0020 0.0491 -0.0012 115 MET G C 9939 O O . MET G 100 ? 0.2017 0.3043 0.2412 -0.0055 0.0447 -0.0038 115 MET G O 9940 C CB . MET G 100 ? 0.2113 0.2658 0.2260 -0.0115 0.0771 -0.0028 115 MET G CB 9941 C CG . MET G 100 ? 0.2508 0.3190 0.2621 -0.0285 0.0798 -0.0132 115 MET G CG 9942 S SD . MET G 100 ? 0.3249 0.3752 0.3253 -0.0423 0.0971 -0.0180 115 MET G SD 9943 C CE . MET G 100 ? 0.2657 0.3394 0.2785 -0.0422 0.0841 -0.0186 115 MET G CE 9944 N N . LEU G 101 ? 0.1646 0.2586 0.2006 0.0029 0.0449 -0.0001 116 LEU G N 9945 C CA . LEU G 101 ? 0.1498 0.2606 0.1890 0.0037 0.0361 -0.0023 116 LEU G CA 9946 C C . LEU G 101 ? 0.2146 0.3338 0.2469 -0.0049 0.0409 -0.0082 116 LEU G C 9947 O O . LEU G 101 ? 0.2241 0.3304 0.2481 -0.0096 0.0506 -0.0100 116 LEU G O 9948 C CB . LEU G 101 ? 0.1415 0.2531 0.1846 0.0127 0.0287 0.0012 116 LEU G CB 9949 C CG . LEU G 101 ? 0.1911 0.3012 0.2409 0.0179 0.0242 0.0041 116 LEU G CG 9950 C CD1 . LEU G 101 ? 0.1854 0.2998 0.2369 0.0227 0.0191 0.0050 116 LEU G CD1 9951 C CD2 . LEU G 101 ? 0.2049 0.3175 0.2567 0.0168 0.0215 0.0029 116 LEU G CD2 9952 N N . THR G 102 ? 0.1681 0.3100 0.2020 -0.0064 0.0360 -0.0112 117 THR G N 9953 C CA . THR G 102 ? 0.1638 0.3254 0.1928 -0.0145 0.0388 -0.0179 117 THR G CA 9954 C C . THR G 102 ? 0.2094 0.3811 0.2415 -0.0037 0.0302 -0.0144 117 THR G C 9955 O O . THR G 102 ? 0.2027 0.3830 0.2379 0.0065 0.0237 -0.0098 117 THR G O 9956 C CB . THR G 102 ? 0.2332 0.4215 0.2607 -0.0239 0.0412 -0.0241 117 THR G CB 9957 O OG1 . THR G 102 ? 0.2461 0.4190 0.2703 -0.0333 0.0496 -0.0266 117 THR G OG1 9958 C CG2 . THR G 102 ? 0.1917 0.4069 0.2137 -0.0363 0.0460 -0.0338 117 THR G CG2 9959 N N . PHE G 103 ? 0.1627 0.3285 0.1917 -0.0050 0.0320 -0.0159 118 PHE G N 9960 C CA . PHE G 103 ? 0.1487 0.3211 0.1795 0.0042 0.0252 -0.0131 118 PHE G CA 9961 C C . PHE G 103 ? 0.2332 0.4368 0.2621 0.0015 0.0249 -0.0178 118 PHE G C 9962 O O . PHE G 103 ? 0.2443 0.4631 0.2694 -0.0121 0.0316 -0.0262 118 PHE G O 9963 C CB . PHE G 103 ? 0.1687 0.3215 0.1969 0.0052 0.0270 -0.0118 118 PHE G CB 9964 C CG . PHE G 103 ? 0.1802 0.3150 0.2119 0.0130 0.0238 -0.0057 118 PHE G CG 9965 C CD1 . PHE G 103 ? 0.2125 0.3327 0.2430 0.0118 0.0293 -0.0038 118 PHE G CD1 9966 C CD2 . PHE G 103 ? 0.1968 0.3316 0.2319 0.0210 0.0167 -0.0025 118 PHE G CD2 9967 C CE1 . PHE G 103 ? 0.2210 0.3343 0.2556 0.0195 0.0259 0.0015 118 PHE G CE1 9968 C CE2 . PHE G 103 ? 0.2293 0.3554 0.2676 0.0248 0.0144 0.0006 118 PHE G CE2 9969 C CZ . PHE G 103 ? 0.2046 0.3239 0.2437 0.0245 0.0180 0.0027 118 PHE G CZ 9970 N N . GLY G 104 ? 0.1925 0.4067 0.2229 0.0141 0.0189 -0.0130 119 GLY G N 9971 C CA . GLY G 104 ? 0.1853 0.4322 0.2141 0.0164 0.0180 -0.0153 119 GLY G CA 9972 C C . GLY G 104 ? 0.2329 0.4719 0.2598 0.0113 0.0196 -0.0190 119 GLY G C 9973 O O . GLY G 104 ? 0.2347 0.4433 0.2608 0.0092 0.0209 -0.0179 119 GLY G O 9974 N N . GLY G 105 ? 0.1873 0.4558 0.2129 0.0108 0.0197 -0.0228 120 GLY G N 9975 C CA . GLY G 105 ? 0.1884 0.4523 0.2114 0.0053 0.0219 -0.0272 120 GLY G CA 9976 C C . GLY G 105 ? 0.2386 0.4788 0.2617 0.0176 0.0174 -0.0199 120 GLY G C 9977 O O . GLY G 105 ? 0.2467 0.4759 0.2670 0.0132 0.0193 -0.0226 120 GLY G O 9978 N N . GLY G 106 ? 0.1811 0.4127 0.2054 0.0318 0.0131 -0.0114 121 GLY G N 9979 C CA . GLY G 106 ? 0.1775 0.3868 0.1999 0.0411 0.0109 -0.0060 121 GLY G CA 9980 C C . GLY G 106 ? 0.2416 0.4660 0.2604 0.0519 0.0109 -0.0032 121 GLY G C 9981 O O . GLY G 106 ? 0.2394 0.4966 0.2585 0.0516 0.0116 -0.0062 121 GLY G O 9982 N N . THR G 107 ? 0.2129 0.4147 0.2271 0.0609 0.0115 0.0019 122 THR G N 9983 C CA . THR G 107 ? 0.2190 0.4250 0.2268 0.0729 0.0140 0.0059 122 THR G CA 9984 C C . THR G 107 ? 0.2696 0.4521 0.2759 0.0673 0.0133 0.0035 122 THR G C 9985 O O . THR G 107 ? 0.2648 0.4213 0.2690 0.0647 0.0139 0.0039 122 THR G O 9986 C CB . THR G 107 ? 0.3096 0.5064 0.3078 0.0900 0.0199 0.0148 122 THR G CB 9987 O OG1 . THR G 107 ? 0.2825 0.5080 0.2818 0.0966 0.0199 0.0176 122 THR G OG1 9988 C CG2 . THR G 107 ? 0.2982 0.4912 0.2856 0.1051 0.0262 0.0207 122 THR G CG2 9989 N N . ARG G 108 ? 0.2300 0.4249 0.2371 0.0644 0.0124 0.0002 123 ARG G N 9990 C CA . ARG G 108 ? 0.2336 0.4091 0.2384 0.0601 0.0118 -0.0018 123 ARG G CA 9991 C C . ARG G 108 ? 0.3067 0.4706 0.3027 0.0718 0.0166 0.0031 123 ARG G C 9992 O O . ARG G 108 ? 0.3044 0.4852 0.2973 0.0813 0.0191 0.0057 123 ARG G O 9993 C CB . ARG G 108 ? 0.2328 0.4213 0.2400 0.0513 0.0109 -0.0078 123 ARG G CB 9994 C CG . ARG G 108 ? 0.3484 0.5393 0.3589 0.0390 0.0113 -0.0130 123 ARG G CG 9995 C CD . ARG G 108 ? 0.5181 0.7159 0.5261 0.0291 0.0148 -0.0200 123 ARG G CD 9996 N NE . ARG G 108 ? 0.6553 0.8875 0.6644 0.0285 0.0165 -0.0241 123 ARG G NE 9997 C CZ . ARG G 108 ? 0.8316 1.0753 0.8389 0.0316 0.0169 -0.0254 123 ARG G CZ 9998 N NH1 . ARG G 108 ? 0.6401 0.8600 0.6440 0.0344 0.0160 -0.0230 123 ARG G NH1 9999 N NH2 . ARG G 108 ? 0.6933 0.9766 0.7024 0.0316 0.0184 -0.0293 123 ARG G NH2 10000 N N . LEU G 109 ? 0.2796 0.4158 0.2698 0.0709 0.0196 0.0041 124 LEU G N 10001 C CA . LEU G 109 ? 0.3068 0.4221 0.2840 0.0793 0.0286 0.0076 124 LEU G CA 10002 C C . LEU G 109 ? 0.3896 0.4935 0.3641 0.0719 0.0282 0.0033 124 LEU G C 10003 O O . LEU G 109 ? 0.3691 0.4686 0.3483 0.0596 0.0231 -0.0020 124 LEU G O 10004 C CB . LEU G 109 ? 0.3208 0.4106 0.2898 0.0785 0.0358 0.0084 124 LEU G CB 10005 C CG . LEU G 109 ? 0.4002 0.4630 0.3497 0.0899 0.0512 0.0133 124 LEU G CG 10006 C CD1 . LEU G 109 ? 0.4107 0.4806 0.3537 0.1088 0.0573 0.0228 124 LEU G CD1 10007 C CD2 . LEU G 109 ? 0.4263 0.4569 0.3659 0.0777 0.0597 0.0074 124 LEU G CD2 10008 N N . MET G 110 ? 0.3944 0.4959 0.3607 0.0812 0.0342 0.0063 125 MET G N 10009 C CA . MET G 110 ? 0.4147 0.5048 0.3766 0.0755 0.0353 0.0026 125 MET G CA 10010 C C . MET G 110 ? 0.4812 0.5433 0.4247 0.0838 0.0500 0.0061 125 MET G C 10011 O O . MET G 110 ? 0.4863 0.5521 0.4223 0.1012 0.0574 0.0138 125 MET G O 10012 C CB . MET G 110 ? 0.4444 0.5585 0.4134 0.0767 0.0295 0.0017 125 MET G CB 10013 C CG . MET G 110 ? 0.5103 0.6162 0.4789 0.0665 0.0266 -0.0036 125 MET G CG 10014 S SD . MET G 110 ? 0.6055 0.7021 0.5626 0.0748 0.0350 -0.0015 125 MET G SD 10015 C CE . MET G 110 ? 0.5524 0.6873 0.5183 0.0825 0.0310 -0.0003 125 MET G CE 10016 N N . VAL G 111 ? 0.4480 0.4833 0.3826 0.0716 0.0561 0.0003 126 VAL G N 10017 C CA . VAL G 111 ? 0.4804 0.4802 0.3931 0.0740 0.0745 0.0007 126 VAL G CA 10018 C C . VAL G 111 ? 0.5455 0.5397 0.4540 0.0674 0.0756 -0.0038 126 VAL G C 10019 O O . VAL G 111 ? 0.5301 0.5258 0.4424 0.0496 0.0701 -0.0128 126 VAL G O 10020 C CB . VAL G 111 ? 0.5471 0.5206 0.4491 0.0608 0.0845 -0.0058 126 VAL G CB 10021 C CG1 . VAL G 111 ? 0.5892 0.5189 0.4631 0.0626 0.1089 -0.0060 126 VAL G CG1 10022 C CG2 . VAL G 111 ? 0.5359 0.5164 0.4436 0.0666 0.0820 -0.0016 126 VAL G CG2 10023 N N . LYS G 112 ? 0.5301 0.5227 0.4313 0.0833 0.0821 0.0032 127 LYS G N 10024 C CA . LYS G 112 ? 0.5384 0.5254 0.4345 0.0809 0.0845 0.0009 127 LYS G CA 10025 C C . LYS G 112 ? 0.6279 0.5718 0.5004 0.0720 0.1040 -0.0042 127 LYS G C 10026 O O . LYS G 112 ? 0.6545 0.5682 0.5063 0.0843 0.1236 0.0019 127 LYS G O 10027 C CB . LYS G 112 ? 0.5774 0.5808 0.4732 0.1031 0.0865 0.0108 127 LYS G CB 10028 C CG . LYS G 112 ? 0.8154 0.8334 0.7176 0.0999 0.0796 0.0079 127 LYS G CG 10029 C CD . LYS G 112 ? 0.9354 0.9920 0.8480 0.1158 0.0735 0.0141 127 LYS G CD 10030 C CE . LYS G 112 ? 1.0904 1.1487 0.9898 0.1425 0.0873 0.0264 127 LYS G CE 10031 N NZ . LYS G 112 ? 1.2148 1.2423 1.0947 0.1508 0.1036 0.0299 127 LYS G NZ 10032 N N . PRO G 113 ? 0.5905 0.5310 0.4633 0.0501 0.1010 -0.0157 128 PRO G N 10033 C CA . PRO G 113 ? 0.6289 0.5308 0.4777 0.0364 0.1214 -0.0237 128 PRO G CA 10034 C C . PRO G 113 ? 0.7180 0.5909 0.5464 0.0481 0.1393 -0.0187 128 PRO G C 10035 O O . PRO G 113 ? 0.6962 0.5875 0.5335 0.0622 0.1312 -0.0117 128 PRO G O 10036 C CB . PRO G 113 ? 0.6355 0.5565 0.4935 0.0118 0.1097 -0.0368 128 PRO G CB 10037 C CG . PRO G 113 ? 0.6551 0.6131 0.5358 0.0191 0.0878 -0.0322 128 PRO G CG 10038 C CD . PRO G 113 ? 0.5798 0.5519 0.4720 0.0373 0.0810 -0.0218 128 PRO G CD 10039 N N . HIS G 114 ? 0.7295 0.5555 0.5289 0.0414 0.1659 -0.0229 129 HIS G N 10040 C CA . HIS G 114 ? 0.7719 0.5618 0.5465 0.0525 0.1880 -0.0180 129 HIS G CA 10041 C C . HIS G 114 ? 0.8278 0.6157 0.5999 0.0302 0.1873 -0.0306 129 HIS G C 10042 O O . HIS G 114 ? 0.8300 0.6125 0.5968 0.0017 0.1906 -0.0462 129 HIS G O 10043 C CB . HIS G 114 ? 0.8429 0.5750 0.5817 0.0574 0.2220 -0.0158 129 HIS G CB 10044 C CG . HIS G 114 ? 0.9364 0.6234 0.6445 0.0681 0.2497 -0.0111 129 HIS G CG 10045 N ND1 . HIS G 114 ? 1.0059 0.6462 0.6854 0.0435 0.2751 -0.0250 129 HIS G ND1 10046 C CD2 . HIS G 114 ? 0.9682 0.6542 0.6708 0.0995 0.2554 0.0052 129 HIS G CD2 10047 C CE1 . HIS G 114 ? 1.0356 0.6417 0.6915 0.0618 0.2966 -0.0158 129 HIS G CE1 10048 N NE2 . HIS G 114 ? 1.0177 0.6514 0.6870 0.0971 0.2852 0.0032 129 HIS G NE2 10049 N N . ILE G 115 ? 0.7830 0.5799 0.5590 0.0428 0.1829 -0.0243 130 ILE G N 10050 C CA . ILE G 115 ? 0.7876 0.5830 0.5607 0.0254 0.1822 -0.0342 130 ILE G CA 10051 C C . ILE G 115 ? 0.9126 0.6518 0.6498 0.0271 0.2155 -0.0343 130 ILE G C 10052 O O . ILE G 115 ? 0.9248 0.6499 0.6524 0.0536 0.2263 -0.0206 130 ILE G O 10053 C CB . ILE G 115 ? 0.7854 0.6211 0.5825 0.0362 0.1591 -0.0286 130 ILE G CB 10054 C CG1 . ILE G 115 ? 0.7385 0.6220 0.5663 0.0383 0.1315 -0.0265 130 ILE G CG1 10055 C CG2 . ILE G 115 ? 0.7976 0.6332 0.5920 0.0179 0.1573 -0.0388 130 ILE G CG2 10056 C CD1 . ILE G 115 ? 0.7859 0.6901 0.6256 0.0144 0.1174 -0.0382 130 ILE G CD1 10057 N N . GLN G 116 ? 0.9170 0.6252 0.6329 -0.0014 0.2338 -0.0500 131 GLN G N 10058 C CA . GLN G 116 ? 0.9843 0.6302 0.6603 -0.0065 0.2711 -0.0537 131 GLN G CA 10059 C C . GLN G 116 ? 1.0419 0.6803 0.7117 -0.0046 0.2750 -0.0533 131 GLN G C 10060 O O . GLN G 116 ? 1.0762 0.6723 0.7206 0.0156 0.3001 -0.0428 131 GLN G O 10061 C CB . GLN G 116 ? 1.0352 0.6584 0.6920 -0.0449 0.2882 -0.0753 131 GLN G CB 10062 C CG . GLN G 116 ? 1.3695 0.9190 0.9788 -0.0551 0.3332 -0.0819 131 GLN G CG 10063 C CD . GLN G 116 ? 1.6853 1.1829 1.2675 -0.0268 0.3613 -0.0664 131 GLN G CD 10064 O OE1 . GLN G 116 ? 1.6450 1.1287 1.2191 -0.0328 0.3704 -0.0697 131 GLN G OE1 10065 N NE2 . GLN G 116 ? 1.6152 1.0835 1.1810 0.0059 0.3770 -0.0485 131 GLN G NE2 10066 N N . ASN G 117 ? 0.9648 0.6428 0.6555 -0.0236 0.2519 -0.0635 132 ASN G N 10067 C CA . ASN G 117 ? 0.9726 0.6451 0.6582 -0.0241 0.2544 -0.0643 132 ASN G CA 10068 C C . ASN G 117 ? 0.9580 0.6858 0.6786 -0.0119 0.2202 -0.0573 132 ASN G C 10069 O O . ASN G 117 ? 0.9177 0.6808 0.6553 -0.0310 0.1999 -0.0673 132 ASN G O 10070 C CB . ASN G 117 ? 1.0266 0.6832 0.6938 -0.0619 0.2677 -0.0855 132 ASN G CB 10071 C CG . ASN G 117 ? 1.3723 0.9639 0.9980 -0.0751 0.3086 -0.0935 132 ASN G CG 10072 O OD1 . ASN G 117 ? 1.2865 0.8721 0.9041 -0.0962 0.3169 -0.1054 132 ASN G OD1 10073 N ND2 . ASN G 117 ? 1.3143 0.8537 0.9106 -0.0620 0.3373 -0.0868 132 ASN G ND2 10074 N N . PRO G 118 ? 0.9013 0.6383 0.6310 0.0205 0.2154 -0.0401 133 PRO G N 10075 C CA . PRO G 118 ? 0.8492 0.6353 0.6090 0.0295 0.1868 -0.0354 133 PRO G CA 10076 C C . PRO G 118 ? 0.9023 0.6853 0.6584 0.0258 0.1878 -0.0381 133 PRO G C 10077 O O . PRO G 118 ? 0.9280 0.6787 0.6638 0.0383 0.2089 -0.0324 133 PRO G O 10078 C CB . PRO G 118 ? 0.8603 0.6608 0.6286 0.0622 0.1844 -0.0185 133 PRO G CB 10079 C CG . PRO G 118 ? 0.9638 0.7192 0.7040 0.0750 0.2132 -0.0116 133 PRO G CG 10080 C CD . PRO G 118 ? 0.9516 0.6582 0.6631 0.0506 0.2370 -0.0245 133 PRO G CD 10081 N N . ASP G 119 ? 0.8249 0.6408 0.5991 0.0101 0.1661 -0.0462 134 ASP G N 10082 C CA . ASP G 119 ? 0.8187 0.6372 0.5921 0.0044 0.1633 -0.0499 134 ASP G CA 10083 C C . ASP G 119 ? 0.8020 0.6658 0.6028 0.0099 0.1363 -0.0470 134 ASP G C 10084 O O . ASP G 119 ? 0.7752 0.6589 0.5839 -0.0064 0.1225 -0.0550 134 ASP G O 10085 C CB . ASP G 119 ? 0.8638 0.6689 0.6224 -0.0260 0.1706 -0.0659 134 ASP G CB 10086 C CG . ASP G 119 ? 1.0157 0.8136 0.7663 -0.0337 0.1740 -0.0707 134 ASP G CG 10087 O OD1 . ASP G 119 ? 1.0276 0.8158 0.7767 -0.0147 0.1789 -0.0613 134 ASP G OD1 10088 O OD2 . ASP G 119 ? 1.1107 0.9153 0.8559 -0.0588 0.1724 -0.0840 134 ASP G OD2 10089 N N . PRO G 120 ? 0.7271 0.6089 0.5407 0.0327 0.1303 -0.0359 135 PRO G N 10090 C CA . PRO G 120 ? 0.6796 0.5994 0.5154 0.0347 0.1090 -0.0353 135 PRO G CA 10091 C C . PRO G 120 ? 0.6972 0.6192 0.5321 0.0244 0.1042 -0.0412 135 PRO G C 10092 O O . PRO G 120 ? 0.7066 0.6116 0.5304 0.0285 0.1156 -0.0403 135 PRO G O 10093 C CB . PRO G 120 ? 0.6963 0.6326 0.5397 0.0584 0.1102 -0.0248 135 PRO G CB 10094 C CG . PRO G 120 ? 0.7913 0.6959 0.6139 0.0721 0.1330 -0.0183 135 PRO G CG 10095 C CD . PRO G 120 ? 0.7613 0.6324 0.5678 0.0574 0.1442 -0.0240 135 PRO G CD 10096 N N . ALA G 121 ? 0.6123 0.5541 0.4569 0.0123 0.0887 -0.0465 136 ALA G N 10097 C CA . ALA G 121 ? 0.5963 0.5424 0.4393 0.0031 0.0831 -0.0515 136 ALA G CA 10098 C C . ALA G 121 ? 0.5976 0.5697 0.4537 0.0021 0.0667 -0.0513 136 ALA G C 10099 O O . ALA G 121 ? 0.5806 0.5654 0.4442 0.0015 0.0595 -0.0502 136 ALA G O 10100 C CB . ALA G 121 ? 0.6253 0.5567 0.4530 -0.0152 0.0898 -0.0603 136 ALA G CB 10101 N N . VAL G 122 ? 0.5363 0.5131 0.3931 0.0024 0.0629 -0.0520 137 VAL G N 10102 C CA . VAL G 122 ? 0.5168 0.5096 0.3799 0.0023 0.0521 -0.0515 137 VAL G CA 10103 C C . VAL G 122 ? 0.5633 0.5558 0.4162 -0.0069 0.0494 -0.0552 137 VAL G C 10104 O O . VAL G 122 ? 0.5761 0.5573 0.4203 -0.0110 0.0547 -0.0583 137 VAL G O 10105 C CB . VAL G 122 ? 0.5595 0.5584 0.4289 0.0094 0.0523 -0.0501 137 VAL G CB 10106 C CG1 . VAL G 122 ? 0.5526 0.5584 0.4224 0.0081 0.0463 -0.0500 137 VAL G CG1 10107 C CG2 . VAL G 122 ? 0.5485 0.5581 0.4282 0.0185 0.0543 -0.0468 137 VAL G CG2 10108 N N . TYR G 123 ? 0.4955 0.5031 0.3489 -0.0088 0.0415 -0.0544 138 TYR G N 10109 C CA . TYR G 123 ? 0.4892 0.5063 0.3328 -0.0146 0.0380 -0.0566 138 TYR G CA 10110 C C . TYR G 123 ? 0.5175 0.5444 0.3601 -0.0053 0.0322 -0.0507 138 TYR G C 10111 O O . TYR G 123 ? 0.4958 0.5284 0.3453 0.0019 0.0292 -0.0460 138 TYR G O 10112 C CB . TYR G 123 ? 0.5013 0.5343 0.3420 -0.0250 0.0362 -0.0612 138 TYR G CB 10113 C CG . TYR G 123 ? 0.5204 0.5380 0.3573 -0.0360 0.0462 -0.0679 138 TYR G CG 10114 C CD1 . TYR G 123 ? 0.5585 0.5598 0.3829 -0.0466 0.0559 -0.0745 138 TYR G CD1 10115 C CD2 . TYR G 123 ? 0.5206 0.5375 0.3631 -0.0366 0.0481 -0.0678 138 TYR G CD2 10116 C CE1 . TYR G 123 ? 0.5790 0.5588 0.3946 -0.0566 0.0698 -0.0805 138 TYR G CE1 10117 C CE2 . TYR G 123 ? 0.5507 0.5474 0.3847 -0.0462 0.0612 -0.0737 138 TYR G CE2 10118 C CZ . TYR G 123 ? 0.6802 0.6566 0.4996 -0.0561 0.0731 -0.0800 138 TYR G CZ 10119 O OH . TYR G 123 ? 0.7430 0.6920 0.5493 -0.0652 0.0905 -0.0855 138 TYR G OH 10120 N N . GLN G 124 ? 0.4787 0.5050 0.3102 -0.0049 0.0325 -0.0505 139 GLN G N 10121 C CA . GLN G 124 ? 0.4794 0.5101 0.3036 0.0062 0.0307 -0.0435 139 GLN G CA 10122 C C . GLN G 124 ? 0.5409 0.6009 0.3598 0.0082 0.0242 -0.0409 139 GLN G C 10123 O O . GLN G 124 ? 0.5441 0.6196 0.3593 -0.0023 0.0223 -0.0469 139 GLN G O 10124 C CB . GLN G 124 ? 0.5067 0.5204 0.3193 0.0081 0.0361 -0.0435 139 GLN G CB 10125 C CG . GLN G 124 ? 0.7455 0.7504 0.5478 0.0209 0.0401 -0.0360 139 GLN G CG 10126 C CD . GLN G 124 ? 1.1202 1.1021 0.9110 0.0210 0.0485 -0.0375 139 GLN G CD 10127 O OE1 . GLN G 124 ? 1.1016 1.0685 0.8980 0.0152 0.0540 -0.0428 139 GLN G OE1 10128 N NE2 . GLN G 124 ? 1.0504 1.0320 0.8239 0.0282 0.0503 -0.0327 139 GLN G NE2 10129 N N . LEU G 125 ? 0.4986 0.5686 0.3166 0.0212 0.0220 -0.0325 140 LEU G N 10130 C CA . LEU G 125 ? 0.5066 0.6124 0.3203 0.0269 0.0158 -0.0283 140 LEU G CA 10131 C C . LEU G 125 ? 0.6152 0.7272 0.4108 0.0419 0.0177 -0.0197 140 LEU G C 10132 O O . LEU G 125 ? 0.6175 0.6987 0.4036 0.0496 0.0257 -0.0156 140 LEU G O 10133 C CB . LEU G 125 ? 0.4912 0.6073 0.3138 0.0346 0.0130 -0.0230 140 LEU G CB 10134 C CG . LEU G 125 ? 0.5249 0.6564 0.3613 0.0205 0.0085 -0.0311 140 LEU G CG 10135 C CD1 . LEU G 125 ? 0.5152 0.6165 0.3615 0.0112 0.0129 -0.0369 140 LEU G CD1 10136 C CD2 . LEU G 125 ? 0.5310 0.6840 0.3734 0.0293 0.0043 -0.0252 140 LEU G CD2 10137 N N . ARG G 126 ? 0.6150 0.7690 0.4045 0.0458 0.0117 -0.0174 141 ARG G N 10138 C CA . ARG G 126 ? 0.6494 0.8182 0.4198 0.0640 0.0134 -0.0071 141 ARG G CA 10139 C C . ARG G 126 ? 0.7413 0.8964 0.5022 0.0890 0.0200 0.0081 141 ARG G C 10140 O O . ARG G 126 ? 0.7275 0.8936 0.4974 0.0938 0.0177 0.0114 141 ARG G O 10141 C CB . ARG G 126 ? 0.6616 0.8904 0.4292 0.0615 0.0047 -0.0093 141 ARG G CB 10142 N N . ASP G 127 ? 0.7459 0.8718 0.4867 0.1041 0.0306 0.0167 142 ASP G N 10143 C CA . ASP G 127 ? 0.7788 0.8795 0.5033 0.1278 0.0431 0.0310 142 ASP G CA 10144 C C . ASP G 127 ? 0.8535 0.9967 0.5661 0.1534 0.0411 0.0459 142 ASP G C 10145 O O . ASP G 127 ? 0.8546 1.0408 0.5612 0.1582 0.0340 0.0478 142 ASP G O 10146 C CB . ASP G 127 ? 0.8334 0.8864 0.5357 0.1342 0.0586 0.0343 142 ASP G CB 10147 C CG . ASP G 127 ? 0.9885 1.0016 0.7010 0.1119 0.0630 0.0207 142 ASP G CG 10148 O OD1 . ASP G 127 ? 0.9784 0.9821 0.7077 0.1011 0.0620 0.0146 142 ASP G OD1 10149 O OD2 . ASP G 127 ? 1.0942 1.0878 0.7971 0.1065 0.0681 0.0166 142 ASP G OD2 10150 N N . SER G 128 ? 0.8246 0.9589 0.5336 0.1700 0.0478 0.0563 143 SER G N 10151 C CA . SER G 128 ? 0.8428 1.0150 0.5390 0.1993 0.0486 0.0732 143 SER G CA 10152 C C . SER G 128 ? 0.9484 1.0877 0.6089 0.2296 0.0681 0.0907 143 SER G C 10153 O O . SER G 128 ? 0.9595 1.0350 0.6065 0.2295 0.0856 0.0914 143 SER G O 10154 C CB . SER G 128 ? 0.8687 1.0434 0.5767 0.2030 0.0484 0.0762 143 SER G CB 10155 O OG . SER G 128 ? 0.9843 1.1916 0.6779 0.2350 0.0519 0.0944 143 SER G OG 10156 N N . LYS G 129 ? 0.9344 1.1184 0.5779 0.2548 0.0665 0.1042 144 LYS G N 10157 C CA . LYS G 129 ? 0.9841 1.1428 0.5894 0.2886 0.0858 0.1235 144 LYS G CA 10158 C C . LYS G 129 ? 1.0823 1.1940 0.6641 0.3161 0.1089 0.1405 144 LYS G C 10159 O O . LYS G 129 ? 1.1220 1.1917 0.6674 0.3422 0.1316 0.1557 144 LYS G O 10160 C CB . LYS G 129 ? 1.0274 1.2599 0.6224 0.3121 0.0767 0.1353 144 LYS G CB 10161 N N . SER G 130 ? 1.0359 1.1500 0.6361 0.3094 0.1053 0.1375 145 SER G N 10162 C CA . SER G 130 ? 1.0707 1.1415 0.6509 0.3316 0.1271 0.1516 145 SER G CA 10163 C C . SER G 130 ? 1.1075 1.1154 0.6977 0.3034 0.1363 0.1367 145 SER G C 10164 O O . SER G 130 ? 1.1374 1.0866 0.7016 0.3159 0.1622 0.1448 145 SER G O 10165 C CB . SER G 130 ? 1.1158 1.2457 0.7066 0.3502 0.1171 0.1620 145 SER G CB 10166 O OG . SER G 130 ? 1.2586 1.4594 0.8418 0.3755 0.1076 0.1747 145 SER G OG 10167 N N . SER G 131 ? 1.0192 1.0405 0.6447 0.2662 0.1169 0.1150 146 SER G N 10168 C CA . SER G 131 ? 0.9997 0.9806 0.6414 0.2378 0.1201 0.0993 146 SER G CA 10169 C C . SER G 131 ? 1.0646 0.9774 0.6871 0.2262 0.1416 0.0923 146 SER G C 10170 O O . SER G 131 ? 1.0741 0.9488 0.6966 0.2140 0.1540 0.0857 146 SER G O 10171 C CB . SER G 131 ? 0.9947 1.0115 0.6748 0.2061 0.0951 0.0805 146 SER G CB 10172 N N . ASP G 132 ? 1.0080 0.9097 0.6170 0.2254 0.1449 0.0908 147 ASP G N 10173 C CA . ASP G 132 ? 1.0184 0.8610 0.6102 0.2110 0.1644 0.0816 147 ASP G CA 10174 C C . ASP G 132 ? 1.0034 0.8426 0.6260 0.1735 0.1545 0.0590 147 ASP G C 10175 O O . ASP G 132 ? 1.0075 0.8101 0.6224 0.1565 0.1669 0.0477 147 ASP G O 10176 C CB . ASP G 132 ? 1.0979 0.8775 0.6505 0.2276 0.1988 0.0917 147 ASP G CB 10177 N N . LYS G 133 ? 0.8986 0.7786 0.5546 0.1619 0.1331 0.0528 148 LYS G N 10178 C CA . LYS G 133 ? 0.8466 0.7327 0.5325 0.1322 0.1220 0.0348 148 LYS G CA 10179 C C . LYS G 133 ? 0.8407 0.7664 0.5505 0.1195 0.0993 0.0268 148 LYS G C 10180 O O . LYS G 133 ? 0.8309 0.7896 0.5397 0.1310 0.0887 0.0339 148 LYS G O 10181 C CB . LYS G 133 ? 0.8526 0.7503 0.5554 0.1294 0.1173 0.0343 148 LYS G CB 10182 C CG . LYS G 133 ? 0.9810 0.8341 0.6631 0.1329 0.1415 0.0367 148 LYS G CG 10183 C CD . LYS G 133 ? 1.0379 0.9066 0.7359 0.1331 0.1357 0.0383 148 LYS G CD 10184 C CE . LYS G 133 ? 1.1684 1.0131 0.8394 0.1575 0.1549 0.0540 148 LYS G CE 10185 N NZ . LYS G 133 ? 1.2773 1.1530 0.9398 0.1871 0.1478 0.0720 148 LYS G NZ 10186 N N . SER G 134 ? 0.7575 0.6806 0.4868 0.0959 0.0940 0.0117 149 SER G N 10187 C CA . SER G 134 ? 0.7185 0.6689 0.4684 0.0818 0.0771 0.0028 149 SER G CA 10188 C C . SER G 134 ? 0.7133 0.6813 0.4902 0.0685 0.0665 -0.0049 149 SER G C 10189 O O . SER G 134 ? 0.6976 0.6499 0.4786 0.0619 0.0736 -0.0093 149 SER G O 10190 C CB . SER G 134 ? 0.7756 0.7044 0.5201 0.0701 0.0836 -0.0059 149 SER G CB 10191 O OG . SER G 134 ? 0.9445 0.8462 0.6602 0.0822 0.0987 0.0009 149 SER G OG 10192 N N . VAL G 135 ? 0.6392 0.6395 0.4319 0.0642 0.0513 -0.0067 150 VAL G N 10193 C CA . VAL G 135 ? 0.6066 0.6216 0.4213 0.0544 0.0429 -0.0122 150 VAL G CA 10194 C C . VAL G 135 ? 0.6535 0.6760 0.4811 0.0397 0.0362 -0.0219 150 VAL G C 10195 O O . VAL G 135 ? 0.6517 0.6860 0.4757 0.0369 0.0317 -0.0234 150 VAL G O 10196 C CB . VAL G 135 ? 0.6443 0.6870 0.4632 0.0631 0.0351 -0.0054 150 VAL G CB 10197 C CG1 . VAL G 135 ? 0.6186 0.6787 0.4581 0.0515 0.0258 -0.0120 150 VAL G CG1 10198 C CG2 . VAL G 135 ? 0.6545 0.6846 0.4628 0.0779 0.0441 0.0041 150 VAL G CG2 10199 N N . CYS G 136 ? 0.6143 0.6303 0.4550 0.0313 0.0373 -0.0280 151 CYS G N 10200 C CA . CYS G 136 ? 0.6115 0.6307 0.4630 0.0215 0.0344 -0.0350 151 CYS G CA 10201 C C . CYS G 136 ? 0.6024 0.6345 0.4674 0.0195 0.0290 -0.0353 151 CYS G C 10202 O O . CYS G 136 ? 0.5812 0.6153 0.4519 0.0231 0.0291 -0.0328 151 CYS G O 10203 C CB . CYS G 136 ? 0.6349 0.6416 0.4888 0.0171 0.0413 -0.0402 151 CYS G CB 10204 S SG . CYS G 136 ? 0.7178 0.7067 0.5554 0.0161 0.0491 -0.0422 151 CYS G SG 10205 N N . LEU G 137 ? 0.5341 0.5718 0.4021 0.0129 0.0266 -0.0391 152 LEU G N 10206 C CA . LEU G 137 ? 0.5080 0.5530 0.3852 0.0100 0.0243 -0.0401 152 LEU G CA 10207 C C . LEU G 137 ? 0.5320 0.5657 0.4125 0.0067 0.0299 -0.0437 152 LEU G C 10208 O O . LEU G 137 ? 0.5362 0.5612 0.4096 0.0012 0.0342 -0.0474 152 LEU G O 10209 C CB . LEU G 137 ? 0.5104 0.5725 0.3840 0.0045 0.0200 -0.0418 152 LEU G CB 10210 C CG . LEU G 137 ? 0.5625 0.6299 0.4420 -0.0023 0.0201 -0.0452 152 LEU G CG 10211 C CD1 . LEU G 137 ? 0.5517 0.6313 0.4398 0.0043 0.0152 -0.0403 152 LEU G CD1 10212 C CD2 . LEU G 137 ? 0.5976 0.6787 0.4696 -0.0152 0.0205 -0.0524 152 LEU G CD2 10213 N N . PHE G 138 ? 0.4664 0.5009 0.3562 0.0114 0.0310 -0.0417 153 PHE G N 10214 C CA . PHE G 138 ? 0.4603 0.4875 0.3522 0.0136 0.0374 -0.0421 153 PHE G CA 10215 C C . PHE G 138 ? 0.5208 0.5470 0.4128 0.0105 0.0379 -0.0423 153 PHE G C 10216 O O . PHE G 138 ? 0.5003 0.5375 0.3993 0.0119 0.0323 -0.0403 153 PHE G O 10217 C CB . PHE G 138 ? 0.4660 0.5019 0.3668 0.0215 0.0385 -0.0399 153 PHE G CB 10218 C CG . PHE G 138 ? 0.4815 0.5171 0.3840 0.0295 0.0453 -0.0374 153 PHE G CG 10219 C CD1 . PHE G 138 ? 0.5303 0.5487 0.4227 0.0306 0.0541 -0.0374 153 PHE G CD1 10220 C CD2 . PHE G 138 ? 0.4847 0.5375 0.3967 0.0372 0.0448 -0.0347 153 PHE G CD2 10221 C CE1 . PHE G 138 ? 0.5452 0.5606 0.4355 0.0426 0.0633 -0.0326 153 PHE G CE1 10222 C CE2 . PHE G 138 ? 0.5190 0.5756 0.4307 0.0490 0.0518 -0.0302 153 PHE G CE2 10223 C CZ . PHE G 138 ? 0.5145 0.5508 0.4146 0.0533 0.0617 -0.0282 153 PHE G CZ 10224 N N . THR G 139 ? 0.5058 0.5174 0.3879 0.0043 0.0461 -0.0459 154 THR G N 10225 C CA . THR G 139 ? 0.5130 0.5206 0.3917 -0.0025 0.0498 -0.0486 154 THR G CA 10226 C C . THR G 139 ? 0.5895 0.5698 0.4554 -0.0031 0.0661 -0.0499 154 THR G C 10227 O O . THR G 139 ? 0.5907 0.5568 0.4500 0.0023 0.0739 -0.0483 154 THR G O 10228 C CB . THR G 139 ? 0.6168 0.6389 0.4915 -0.0165 0.0446 -0.0550 154 THR G CB 10229 O OG1 . THR G 139 ? 0.6316 0.6567 0.5056 -0.0242 0.0471 -0.0587 154 THR G OG1 10230 C CG2 . THR G 139 ? 0.5945 0.6087 0.4558 -0.0279 0.0507 -0.0620 154 THR G CG2 10231 N N . ASP G 140 ? 0.5703 0.5416 0.4308 -0.0092 0.0730 -0.0526 155 ASP G N 10232 C CA . ASP G 140 ? 0.6104 0.5490 0.4533 -0.0113 0.0928 -0.0544 155 ASP G CA 10233 C C . ASP G 140 ? 0.6891 0.6124 0.5297 0.0106 0.1024 -0.0437 155 ASP G C 10234 O O . ASP G 140 ? 0.7252 0.6157 0.5468 0.0138 0.1223 -0.0426 155 ASP G O 10235 C CB . ASP G 140 ? 0.6642 0.5839 0.4889 -0.0281 0.1048 -0.0641 155 ASP G CB 10236 C CG . ASP G 140 ? 0.8229 0.7629 0.6465 -0.0508 0.0988 -0.0759 155 ASP G CG 10237 O OD1 . ASP G 140 ? 0.8450 0.7877 0.6667 -0.0607 0.1020 -0.0811 155 ASP G OD1 10238 O OD2 . ASP G 140 ? 0.8897 0.8456 0.7137 -0.0585 0.0915 -0.0802 155 ASP G OD2 10239 N N . PHE G 141 ? 0.6259 0.5738 0.4836 0.0257 0.0902 -0.0359 156 PHE G N 10240 C CA . PHE G 141 ? 0.6306 0.5787 0.4886 0.0475 0.0969 -0.0258 156 PHE G CA 10241 C C . PHE G 141 ? 0.7092 0.6482 0.5631 0.0555 0.1044 -0.0209 156 PHE G C 10242 O O . PHE G 141 ? 0.6923 0.6318 0.5490 0.0431 0.0999 -0.0259 156 PHE G O 10243 C CB . PHE G 141 ? 0.6194 0.6030 0.4962 0.0559 0.0823 -0.0226 156 PHE G CB 10244 C CG . PHE G 141 ? 0.6067 0.6146 0.4997 0.0494 0.0665 -0.0247 156 PHE G CG 10245 C CD1 . PHE G 141 ? 0.6290 0.6442 0.5267 0.0363 0.0561 -0.0306 156 PHE G CD1 10246 C CD2 . PHE G 141 ? 0.6167 0.6405 0.5187 0.0585 0.0633 -0.0199 156 PHE G CD2 10247 C CE1 . PHE G 141 ? 0.6184 0.6518 0.5276 0.0332 0.0448 -0.0310 156 PHE G CE1 10248 C CE2 . PHE G 141 ? 0.6289 0.6716 0.5438 0.0524 0.0510 -0.0220 156 PHE G CE2 10249 C CZ . PHE G 141 ? 0.5957 0.6411 0.5134 0.0403 0.0427 -0.0272 156 PHE G CZ 10250 N N . ASP G 142 ? 0.7033 0.6355 0.5495 0.0773 0.1167 -0.0106 157 ASP G N 10251 C CA . ASP G 142 ? 0.7239 0.6450 0.5629 0.0889 0.1263 -0.0039 157 ASP G CA 10252 C C . ASP G 142 ? 0.7500 0.7095 0.6109 0.0935 0.1087 -0.0012 157 ASP G C 10253 O O . ASP G 142 ? 0.7146 0.7078 0.5937 0.0913 0.0927 -0.0031 157 ASP G O 10254 C CB . ASP G 142 ? 0.7840 0.6859 0.6039 0.1151 0.1474 0.0085 157 ASP G CB 10255 C CG . ASP G 142 ? 0.9393 0.8800 0.7712 0.1365 0.1406 0.0172 157 ASP G CG 10256 O OD1 . ASP G 142 ? 0.9480 0.9029 0.7879 0.1297 0.1326 0.0125 157 ASP G OD1 10257 O OD2 . ASP G 142 ? 1.0274 0.9855 0.8587 0.1602 0.1448 0.0286 157 ASP G OD2 10258 N N . SER G 143 ? 0.7247 0.6760 0.5815 0.0988 0.1140 0.0026 158 SER G N 10259 C CA . SER G 143 ? 0.6984 0.6817 0.5731 0.1023 0.0999 0.0049 158 SER G CA 10260 C C . SER G 143 ? 0.7365 0.7568 0.6203 0.1242 0.0962 0.0141 158 SER G C 10261 O O . SER G 143 ? 0.7011 0.7566 0.6031 0.1215 0.0817 0.0125 158 SER G O 10262 C CB . SER G 143 ? 0.7591 0.7207 0.6246 0.1020 0.1085 0.0063 158 SER G CB 10263 O OG . SER G 143 ? 0.8474 0.7984 0.7148 0.0777 0.1037 -0.0049 158 SER G OG 10264 N N . GLN G 144 ? 0.7205 0.7358 0.5910 0.1448 0.1102 0.0231 159 GLN G N 10265 C CA . GLN G 144 ? 0.7121 0.7721 0.5906 0.1665 0.1074 0.0314 159 GLN G CA 10266 C C . GLN G 144 ? 0.7431 0.8375 0.6389 0.1552 0.0932 0.0234 159 GLN G C 10267 O O . GLN G 144 ? 0.7260 0.8682 0.6336 0.1641 0.0868 0.0250 159 GLN G O 10268 C CB . GLN G 144 ? 0.7666 0.8114 0.6230 0.1956 0.1289 0.0452 159 GLN G CB 10269 N N . THR G 145 ? 0.6990 0.7705 0.5948 0.1345 0.0893 0.0138 160 THR G N 10270 C CA . THR G 145 ? 0.6771 0.7691 0.5849 0.1213 0.0783 0.0054 160 THR G CA 10271 C C . THR G 145 ? 0.7020 0.8035 0.6239 0.1015 0.0635 -0.0033 160 THR G C 10272 O O . THR G 145 ? 0.6958 0.7735 0.6150 0.0908 0.0619 -0.0058 160 THR G O 10273 C CB . THR G 145 ? 0.7993 0.8588 0.6950 0.1144 0.0855 0.0022 160 THR G CB 10274 O OG1 . THR G 145 ? 0.8427 0.8942 0.7243 0.1352 0.1011 0.0113 160 THR G OG1 10275 C CG2 . THR G 145 ? 0.7528 0.8265 0.6582 0.0998 0.0751 -0.0065 160 THR G CG2 10276 N N . ASN G 146 ? 0.6407 0.7776 0.5759 0.0964 0.0548 -0.0081 161 ASN G N 10277 C CA . ASN G 146 ? 0.6219 0.7650 0.5667 0.0794 0.0446 -0.0157 161 ASN G CA 10278 C C . ASN G 146 ? 0.6751 0.8305 0.6234 0.0686 0.0419 -0.0236 161 ASN G C 10279 O O . ASN G 146 ? 0.6750 0.8410 0.6211 0.0741 0.0462 -0.0237 161 ASN G O 10280 C CB . ASN G 146 ? 0.6056 0.7753 0.5595 0.0820 0.0408 -0.0147 161 ASN G CB 10281 C CG . ASN G 146 ? 0.8062 0.9642 0.7644 0.0690 0.0343 -0.0183 161 ASN G CG 10282 O OD1 . ASN G 146 ? 0.6124 0.7594 0.5707 0.0562 0.0308 -0.0239 161 ASN G OD1 10283 N ND2 . ASN G 146 ? 0.7469 0.9075 0.7075 0.0741 0.0335 -0.0142 161 ASN G ND2 10284 N N . VAL G 147 ? 0.6319 0.7842 0.5835 0.0544 0.0367 -0.0298 162 VAL G N 10285 C CA . VAL G 147 ? 0.6357 0.7902 0.5860 0.0430 0.0372 -0.0374 162 VAL G CA 10286 C C . VAL G 147 ? 0.6831 0.8601 0.6389 0.0329 0.0376 -0.0446 162 VAL G C 10287 O O . VAL G 147 ? 0.6660 0.8404 0.6243 0.0302 0.0353 -0.0438 162 VAL G O 10288 C CB . VAL G 147 ? 0.6936 0.8147 0.6357 0.0360 0.0355 -0.0378 162 VAL G CB 10289 C CG1 . VAL G 147 ? 0.6895 0.8021 0.6303 0.0272 0.0336 -0.0403 162 VAL G CG1 10290 C CG2 . VAL G 147 ? 0.6991 0.8123 0.6347 0.0338 0.0388 -0.0407 162 VAL G CG2 10291 N N . SER G 148 ? 0.6503 0.8496 0.6066 0.0262 0.0421 -0.0525 163 SER G N 10292 C CA . SER G 148 ? 0.6528 0.8723 0.6106 0.0116 0.0463 -0.0628 163 SER G CA 10293 C C . SER G 148 ? 0.7309 0.9187 0.6777 -0.0030 0.0520 -0.0688 163 SER G C 10294 O O . SER G 148 ? 0.7356 0.8909 0.6747 -0.0005 0.0511 -0.0645 163 SER G O 10295 C CB . SER G 148 ? 0.6979 0.9639 0.6606 0.0084 0.0505 -0.0708 163 SER G CB 10296 O OG . SER G 148 ? 0.8260 1.0866 0.7833 0.0040 0.0548 -0.0756 163 SER G OG 10297 N N . GLN G 149 ? 0.7014 0.8986 0.6455 -0.0180 0.0597 -0.0787 164 GLN G N 10298 C CA . GLN G 149 ? 0.7202 0.8833 0.6487 -0.0310 0.0704 -0.0844 164 GLN G CA 10299 C C . GLN G 149 ? 0.7834 0.9410 0.7033 -0.0386 0.0779 -0.0917 164 GLN G C 10300 O O . GLN G 149 ? 0.7728 0.9609 0.7004 -0.0373 0.0756 -0.0950 164 GLN G O 10301 C CB . GLN G 149 ? 0.7462 0.9187 0.6708 -0.0476 0.0809 -0.0950 164 GLN G CB 10302 C CG . GLN G 149 ? 0.8922 1.0685 0.8242 -0.0417 0.0749 -0.0887 164 GLN G CG 10303 C CD . GLN G 149 ? 1.0740 1.2133 1.0029 -0.0278 0.0685 -0.0752 164 GLN G CD 10304 O OE1 . GLN G 149 ? 1.0098 1.1145 0.9244 -0.0304 0.0770 -0.0739 164 GLN G OE1 10305 N NE2 . GLN G 149 ? 0.9501 1.0978 0.8906 -0.0127 0.0553 -0.0651 164 GLN G NE2 10306 N N . SER G 150 ? 0.7609 0.8782 0.6633 -0.0441 0.0876 -0.0927 165 SER G N 10307 C CA . SER G 150 ? 0.7714 0.8754 0.6622 -0.0511 0.0963 -0.0991 165 SER G CA 10308 C C . SER G 150 ? 0.8315 0.9575 0.7175 -0.0731 0.1108 -0.1173 165 SER G C 10309 O O . SER G 150 ? 0.8306 0.9676 0.7143 -0.0871 0.1196 -0.1265 165 SER G O 10310 C CB . SER G 150 ? 0.8330 0.8865 0.7037 -0.0469 0.1036 -0.0926 165 SER G CB 10311 O OG . SER G 150 ? 0.9691 1.0044 0.8235 -0.0573 0.1174 -0.1009 165 SER G OG 10312 N N . LYS G 151 ? 0.7917 0.9254 0.6758 -0.0775 0.1138 -0.1233 166 LYS G N 10313 C CA . LYS G 151 ? 0.8023 0.9600 0.6813 -0.1000 0.1281 -0.1423 166 LYS G CA 10314 C C . LYS G 151 ? 0.8788 0.9908 0.7340 -0.1099 0.1444 -0.1479 166 LYS G C 10315 O O . LYS G 151 ? 0.8825 1.0079 0.7347 -0.1215 0.1517 -0.1591 166 LYS G O 10316 C CB . LYS G 151 ? 0.8127 1.0290 0.7109 -0.0960 0.1185 -0.1453 166 LYS G CB 10317 C CG . LYS G 151 ? 0.9566 1.2125 0.8751 -0.0796 0.1031 -0.1356 166 LYS G CG 10318 C CD . LYS G 151 ? 1.0722 1.3730 0.9960 -0.0953 0.1085 -0.1483 166 LYS G CD 10319 C CE . LYS G 151 ? 1.1805 1.4832 1.1130 -0.0831 0.0986 -0.1374 166 LYS G CE 10320 N NZ . LYS G 151 ? 1.3037 1.5993 1.2272 -0.1038 0.1106 -0.1486 166 LYS G NZ 10321 N N . ASP G 152 ? 0.8440 0.9027 0.6821 -0.1024 0.1498 -0.1383 167 ASP G N 10322 C CA . ASP G 152 ? 0.8697 0.8760 0.6802 -0.1062 0.1672 -0.1393 167 ASP G CA 10323 C C . ASP G 152 ? 0.9220 0.8810 0.7095 -0.1059 0.1830 -0.1351 167 ASP G C 10324 O O . ASP G 152 ? 0.9049 0.8645 0.7005 -0.0930 0.1730 -0.1239 167 ASP G O 10325 C CB . ASP G 152 ? 0.8878 0.8771 0.6995 -0.0856 0.1543 -0.1246 167 ASP G CB 10326 C CG . ASP G 152 ? 1.0460 1.0318 0.8500 -0.0936 0.1613 -0.1329 167 ASP G CG 10327 O OD1 . ASP G 152 ? 1.0865 1.0347 0.8643 -0.1051 0.1829 -0.1403 167 ASP G OD1 10328 O OD2 . ASP G 152 ? 1.1216 1.1382 0.9436 -0.0872 0.1469 -0.1310 167 ASP G OD2 10329 N N . SER G 153 ? 0.8999 0.8154 0.6565 -0.1194 0.2098 -0.1439 168 SER G N 10330 C CA . SER G 153 ? 0.9238 0.7852 0.6510 -0.1174 0.2314 -0.1393 168 SER G CA 10331 C C . SER G 153 ? 0.9424 0.7687 0.6596 -0.0868 0.2244 -0.1162 168 SER G C 10332 O O . SER G 153 ? 0.9489 0.7482 0.6537 -0.0737 0.2304 -0.1047 168 SER G O 10333 C CB . SER G 153 ? 1.0170 0.8391 0.7099 -0.1421 0.2665 -0.1568 168 SER G CB 10334 N N . ASP G 154 ? 0.8600 0.6911 0.5825 -0.0755 0.2120 -0.1098 169 ASP G N 10335 C CA . ASP G 154 ? 0.8486 0.6570 0.5623 -0.0485 0.2043 -0.0900 169 ASP G CA 10336 C C . ASP G 154 ? 0.8128 0.6584 0.5559 -0.0307 0.1739 -0.0769 169 ASP G C 10337 O O . ASP G 154 ? 0.8127 0.6461 0.5490 -0.0096 0.1687 -0.0610 169 ASP G O 10338 C CB . ASP G 154 ? 0.8848 0.6787 0.5866 -0.0484 0.2085 -0.0917 169 ASP G CB 10339 C CG . ASP G 154 ? 1.0876 0.8367 0.7550 -0.0647 0.2415 -0.1038 169 ASP G CG 10340 O OD1 . ASP G 154 ? 1.1394 0.8459 0.7785 -0.0635 0.2652 -0.1015 169 ASP G OD1 10341 O OD2 . ASP G 154 ? 1.1763 0.9300 0.8428 -0.0785 0.2455 -0.1154 169 ASP G OD2 10342 N N . VAL G 155 ? 0.6945 0.5856 0.4675 -0.0384 0.1557 -0.0835 170 VAL G N 10343 C CA . VAL G 155 ? 0.6384 0.5601 0.4362 -0.0243 0.1306 -0.0732 170 VAL G CA 10344 C C . VAL G 155 ? 0.6179 0.5551 0.4283 -0.0232 0.1250 -0.0709 170 VAL G C 10345 O O . VAL G 155 ? 0.6192 0.5652 0.4315 -0.0382 0.1338 -0.0818 170 VAL G O 10346 C CB . VAL G 155 ? 0.6633 0.6190 0.4822 -0.0285 0.1167 -0.0786 170 VAL G CB 10347 C CG1 . VAL G 155 ? 0.6347 0.6102 0.4718 -0.0144 0.0959 -0.0679 170 VAL G CG1 10348 C CG2 . VAL G 155 ? 0.6766 0.6169 0.4827 -0.0323 0.1240 -0.0828 170 VAL G CG2 10349 N N . TYR G 156 ? 0.5147 0.4575 0.3332 -0.0067 0.1108 -0.0577 171 TYR G N 10350 C CA . TYR G 156 ? 0.4742 0.4319 0.3058 -0.0030 0.1030 -0.0536 171 TYR G CA 10351 C C . TYR G 156 ? 0.4835 0.4717 0.3383 0.0038 0.0819 -0.0490 171 TYR G C 10352 O O . TYR G 156 ? 0.4786 0.4658 0.3324 0.0135 0.0737 -0.0419 171 TYR G O 10353 C CB . TYR G 156 ? 0.4927 0.4255 0.3080 0.0110 0.1096 -0.0418 171 TYR G CB 10354 C CG . TYR G 156 ? 0.5358 0.4295 0.3228 0.0066 0.1353 -0.0446 171 TYR G CG 10355 C CD1 . TYR G 156 ? 0.5606 0.4477 0.3444 -0.0059 0.1479 -0.0523 171 TYR G CD1 10356 C CD2 . TYR G 156 ? 0.5765 0.4368 0.3371 0.0152 0.1492 -0.0391 171 TYR G CD2 10357 C CE1 . TYR G 156 ? 0.6042 0.4488 0.3576 -0.0123 0.1760 -0.0562 171 TYR G CE1 10358 C CE2 . TYR G 156 ? 0.6297 0.4457 0.3589 0.0120 0.1775 -0.0411 171 TYR G CE2 10359 C CZ . TYR G 156 ? 0.7293 0.5355 0.4542 -0.0027 0.1919 -0.0502 171 TYR G CZ 10360 O OH . TYR G 156 ? 0.7999 0.5565 0.4899 -0.0083 0.2239 -0.0536 171 TYR G OH 10361 N N . ILE G 157 ? 0.4107 0.4252 0.2837 -0.0014 0.0751 -0.0534 172 ILE G N 10362 C CA . ILE G 157 ? 0.3861 0.4232 0.2771 0.0053 0.0595 -0.0490 172 ILE G CA 10363 C C . ILE G 157 ? 0.4477 0.4916 0.3467 0.0096 0.0543 -0.0441 172 ILE G C 10364 O O . ILE G 157 ? 0.4368 0.4869 0.3382 0.0031 0.0596 -0.0486 172 ILE G O 10365 C CB . ILE G 157 ? 0.4111 0.4742 0.3151 0.0009 0.0563 -0.0553 172 ILE G CB 10366 C CG1 . ILE G 157 ? 0.4256 0.4875 0.3222 -0.0074 0.0648 -0.0637 172 ILE G CG1 10367 C CG2 . ILE G 157 ? 0.4021 0.4743 0.3161 0.0102 0.0453 -0.0491 172 ILE G CG2 10368 C CD1 . ILE G 157 ? 0.5492 0.5991 0.4404 -0.0030 0.0624 -0.0611 172 ILE G CD1 10369 N N . THR G 158 ? 0.4205 0.4656 0.3234 0.0185 0.0448 -0.0364 173 THR G N 10370 C CA . THR G 158 ? 0.4227 0.4760 0.3341 0.0222 0.0393 -0.0322 173 THR G CA 10371 C C . THR G 158 ? 0.4972 0.5697 0.4234 0.0213 0.0329 -0.0341 173 THR G C 10372 O O . THR G 158 ? 0.5021 0.5817 0.4315 0.0207 0.0322 -0.0367 173 THR G O 10373 C CB . THR G 158 ? 0.5353 0.5874 0.4442 0.0306 0.0328 -0.0245 173 THR G CB 10374 O OG1 . THR G 158 ? 0.5252 0.5869 0.4405 0.0301 0.0249 -0.0252 173 THR G OG1 10375 C CG2 . THR G 158 ? 0.5306 0.5675 0.4228 0.0362 0.0389 -0.0204 173 THR G CG2 10376 N N . ASP G 159 ? 0.4683 0.5480 0.4020 0.0232 0.0296 -0.0316 174 ASP G N 10377 C CA . ASP G 159 ? 0.4722 0.5666 0.4168 0.0255 0.0250 -0.0312 174 ASP G CA 10378 C C . ASP G 159 ? 0.5404 0.6297 0.4846 0.0292 0.0203 -0.0281 174 ASP G C 10379 O O . ASP G 159 ? 0.5345 0.6163 0.4731 0.0291 0.0182 -0.0264 174 ASP G O 10380 C CB . ASP G 159 ? 0.4962 0.5976 0.4474 0.0261 0.0236 -0.0296 174 ASP G CB 10381 C CG . ASP G 159 ? 0.6906 0.8052 0.6442 0.0199 0.0291 -0.0351 174 ASP G CG 10382 O OD1 . ASP G 159 ? 0.7131 0.8283 0.6610 0.0129 0.0359 -0.0413 174 ASP G OD1 10383 O OD2 . ASP G 159 ? 0.7811 0.9070 0.7415 0.0206 0.0275 -0.0344 174 ASP G OD2 10384 N N . LYS G 160 ? 0.5120 0.6068 0.4603 0.0327 0.0206 -0.0276 175 LYS G N 10385 C CA . LYS G 160 ? 0.5230 0.6083 0.4678 0.0340 0.0207 -0.0262 175 LYS G CA 10386 C C . LYS G 160 ? 0.5915 0.6755 0.5382 0.0318 0.0170 -0.0248 175 LYS G C 10387 O O . LYS G 160 ? 0.5770 0.6678 0.5294 0.0329 0.0148 -0.0232 175 LYS G O 10388 C CB . LYS G 160 ? 0.5589 0.6464 0.5041 0.0415 0.0259 -0.0242 175 LYS G CB 10389 C CG . LYS G 160 ? 0.7531 0.8311 0.6958 0.0451 0.0293 -0.0212 175 LYS G CG 10390 C CD . LYS G 160 ? 0.8823 0.9725 0.8286 0.0566 0.0327 -0.0166 175 LYS G CD 10391 C CE . LYS G 160 ? 1.0158 1.0892 0.9508 0.0664 0.0438 -0.0121 175 LYS G CE 10392 N NZ . LYS G 160 ? 1.1065 1.1982 1.0423 0.0831 0.0484 -0.0057 175 LYS G NZ 10393 N N . CYS G 161 ? 0.5744 0.6514 0.5154 0.0273 0.0174 -0.0265 176 CYS G N 10394 C CA . CYS G 161 ? 0.5773 0.6595 0.5197 0.0231 0.0141 -0.0271 176 CYS G CA 10395 C C . CYS G 161 ? 0.6469 0.7207 0.5815 0.0149 0.0192 -0.0320 176 CYS G C 10396 O O . CYS G 161 ? 0.6561 0.7227 0.5825 0.0106 0.0227 -0.0352 176 CYS G O 10397 C CB . CYS G 161 ? 0.5810 0.6741 0.5229 0.0232 0.0085 -0.0256 176 CYS G CB 10398 S SG . CYS G 161 ? 0.6320 0.7427 0.5758 0.0197 0.0037 -0.0260 176 CYS G SG 10399 N N . VAL G 162 ? 0.6114 0.6840 0.5465 0.0110 0.0215 -0.0336 177 VAL G N 10400 C CA . VAL G 162 ? 0.6358 0.6963 0.5597 -0.0005 0.0306 -0.0407 177 VAL G CA 10401 C C . VAL G 162 ? 0.7014 0.7828 0.6257 -0.0130 0.0262 -0.0472 177 VAL G C 10402 O O . VAL G 162 ? 0.6864 0.7849 0.6198 -0.0106 0.0194 -0.0449 177 VAL G O 10403 C CB . VAL G 162 ? 0.7018 0.7406 0.6200 0.0023 0.0419 -0.0396 177 VAL G CB 10404 C CG1 . VAL G 162 ? 0.7293 0.7404 0.6289 -0.0052 0.0582 -0.0450 177 VAL G CG1 10405 C CG2 . VAL G 162 ? 0.6910 0.7287 0.6158 0.0191 0.0408 -0.0305 177 VAL G CG2 10406 N N . LEU G 163 ? 0.6811 0.7641 0.5950 -0.0268 0.0311 -0.0559 178 LEU G N 10407 C CA . LEU G 163 ? 0.6861 0.7973 0.5989 -0.0416 0.0286 -0.0647 178 LEU G CA 10408 C C . LEU G 163 ? 0.7691 0.8626 0.6671 -0.0613 0.0444 -0.0773 178 LEU G C 10409 O O . LEU G 163 ? 0.7734 0.8310 0.6588 -0.0622 0.0579 -0.0782 178 LEU G O 10410 C CB . LEU G 163 ? 0.6824 0.8220 0.5945 -0.0429 0.0203 -0.0657 178 LEU G CB 10411 C CG . LEU G 163 ? 0.7515 0.8754 0.6532 -0.0463 0.0254 -0.0683 178 LEU G CG 10412 C CD1 . LEU G 163 ? 0.7791 0.9045 0.6669 -0.0696 0.0361 -0.0831 178 LEU G CD1 10413 C CD2 . LEU G 163 ? 0.7690 0.9142 0.6737 -0.0361 0.0149 -0.0621 178 LEU G CD2 10414 N N . ASP G 164 ? 0.7477 0.8658 0.6455 -0.0772 0.0450 -0.0871 179 ASP G N 10415 C CA . ASP G 164 ? 0.7870 0.8881 0.6680 -0.1005 0.0632 -0.1020 179 ASP G CA 10416 C C . ASP G 164 ? 0.8564 0.9996 0.7333 -0.1239 0.0623 -0.1172 179 ASP G C 10417 O O . ASP G 164 ? 0.8346 1.0244 0.7232 -0.1252 0.0505 -0.1185 179 ASP G O 10418 C CB . ASP G 164 ? 0.8206 0.9065 0.7021 -0.1011 0.0700 -0.1021 179 ASP G CB 10419 C CG . ASP G 164 ? 1.0323 1.0933 0.8927 -0.1261 0.0930 -0.1182 179 ASP G CG 10420 O OD1 . ASP G 164 ? 1.0797 1.1110 0.9202 -0.1381 0.1101 -0.1259 179 ASP G OD1 10421 O OD2 . ASP G 164 ? 1.1093 1.1766 0.9712 -0.1342 0.0962 -0.1232 179 ASP G OD2 10422 N N . MET G 165 ? 0.8508 0.9801 0.7102 -0.1421 0.0755 -0.1289 180 MET G N 10423 C CA . MET G 165 ? 0.8693 1.0391 0.7211 -0.1695 0.0783 -0.1469 180 MET G CA 10424 C C . MET G 165 ? 0.9686 1.1260 0.8063 -0.1965 0.0979 -0.1642 180 MET G C 10425 O O . MET G 165 ? 1.0007 1.1027 0.8169 -0.2074 0.1214 -0.1706 180 MET G O 10426 C CB . MET G 165 ? 0.9145 1.0717 0.7523 -0.1783 0.0854 -0.1524 180 MET G CB 10427 C CG . MET G 165 ? 0.9323 1.1086 0.7829 -0.1548 0.0663 -0.1375 180 MET G CG 10428 S SD . MET G 165 ? 1.0019 1.1569 0.8365 -0.1624 0.0748 -0.1421 180 MET G SD 10429 C CE . MET G 165 ? 0.9708 1.1916 0.7990 -0.1924 0.0732 -0.1621 180 MET G CE 10430 N N . ARG G 166 ? 0.9248 1.1295 0.7737 -0.2040 0.0897 -0.1698 181 ARG G N 10431 C CA . ARG G 166 ? 0.9509 1.1511 0.7890 -0.2300 0.1067 -0.1868 181 ARG G CA 10432 C C . ARG G 166 ? 1.0386 1.2356 0.8512 -0.2701 0.1300 -0.2128 181 ARG G C 10433 O O . ARG G 166 ? 1.0675 1.2127 0.8575 -0.2886 0.1568 -0.2240 181 ARG G O 10434 C CB . ARG G 166 ? 0.9397 1.2052 0.7974 -0.2292 0.0900 -0.1876 181 ARG G CB 10435 C CG . ARG G 166 ? 1.0858 1.3265 0.9507 -0.2177 0.0911 -0.1798 181 ARG G CG 10436 C CD . ARG G 166 ? 1.2009 1.5076 1.0847 -0.2165 0.0754 -0.1805 181 ARG G CD 10437 N NE . ARG G 166 ? 1.3593 1.7144 1.2349 -0.2528 0.0847 -0.2057 181 ARG G NE 10438 C CZ . ARG G 166 ? 1.5353 1.9716 1.4252 -0.2560 0.0702 -0.2102 181 ARG G CZ 10439 N NH1 . ARG G 166 ? 1.3937 1.8778 1.2750 -0.2922 0.0803 -0.2355 181 ARG G NH1 10440 N NH2 . ARG G 166 ? 1.3389 1.8104 1.2499 -0.2230 0.0473 -0.1896 181 ARG G NH2 10441 N N . SER G 167 ? 0.9944 1.2450 0.8082 -0.2835 0.1220 -0.2223 182 SER G N 10442 C CA . SER G 167 ? 1.0315 1.2906 0.8218 -0.3247 0.1427 -0.2490 182 SER G CA 10443 C C . SER G 167 ? 1.1179 1.2938 0.8802 -0.3322 0.1698 -0.2521 182 SER G C 10444 O O . SER G 167 ? 1.1635 1.3101 0.8980 -0.3672 0.1994 -0.2743 182 SER G O 10445 C CB . SER G 167 ? 1.0600 1.3966 0.8596 -0.3297 0.1249 -0.2538 182 SER G CB 10446 N N . MET G 168 ? 1.0518 1.1896 0.8196 -0.2997 0.1616 -0.2302 183 MET G N 10447 C CA . MET G 168 ? 1.0809 1.1436 0.8244 -0.2989 0.1849 -0.2285 183 MET G CA 10448 C C . MET G 168 ? 1.1241 1.1150 0.8585 -0.2786 0.2002 -0.2151 183 MET G C 10449 O O . MET G 168 ? 1.1546 1.0791 0.8633 -0.2785 0.2258 -0.2145 183 MET G O 10450 C CB . MET G 168 ? 1.0885 1.1562 0.8427 -0.2749 0.1676 -0.2129 183 MET G CB 10451 C CG . MET G 168 ? 1.1381 1.2604 0.8919 -0.2950 0.1600 -0.2262 183 MET G CG 10452 S SD . MET G 168 ? 1.1937 1.2858 0.9439 -0.2762 0.1569 -0.2134 183 MET G SD 10453 C CE . MET G 168 ? 1.1310 1.3108 0.8926 -0.2870 0.1351 -0.2214 183 MET G CE 10454 N N . ASP G 169 ? 1.0390 1.0444 0.7933 -0.2595 0.1852 -0.2032 184 ASP G N 10455 C CA . ASP G 169 ? 1.0372 0.9884 0.7880 -0.2356 0.1941 -0.1878 184 ASP G CA 10456 C C . ASP G 169 ? 1.0436 0.9595 0.7964 -0.2025 0.1903 -0.1667 184 ASP G C 10457 O O . ASP G 169 ? 1.0654 0.9214 0.7998 -0.1888 0.2107 -0.1583 184 ASP G O 10458 C CB . ASP G 169 ? 1.1238 1.0177 0.8407 -0.2584 0.2313 -0.2023 184 ASP G CB 10459 C CG . ASP G 169 ? 1.2942 1.2041 1.0172 -0.2671 0.2310 -0.2082 184 ASP G CG 10460 O OD1 . ASP G 169 ? 1.2834 1.1826 1.0201 -0.2384 0.2208 -0.1900 184 ASP G OD1 10461 O OD2 . ASP G 169 ? 1.4049 1.3388 1.1178 -0.3040 0.2423 -0.2321 184 ASP G OD2 10462 N N . PHE G 170 ? 0.9339 0.8908 0.7083 -0.1891 0.1646 -0.1582 185 PHE G N 10463 C CA . PHE G 170 ? 0.9029 0.8410 0.6826 -0.1620 0.1575 -0.1412 185 PHE G CA 10464 C C . PHE G 170 ? 0.8670 0.8332 0.6760 -0.1321 0.1305 -0.1225 185 PHE G C 10465 O O . PHE G 170 ? 0.8271 0.8438 0.6557 -0.1324 0.1096 -0.1225 185 PHE G O 10466 C CB . PHE G 170 ? 0.9265 0.8835 0.7027 -0.1743 0.1540 -0.1488 185 PHE G CB 10467 C CG . PHE G 170 ? 0.9290 0.8756 0.7124 -0.1494 0.1444 -0.1334 185 PHE G CG 10468 C CD1 . PHE G 170 ? 0.9959 0.8876 0.7618 -0.1375 0.1636 -0.1265 185 PHE G CD1 10469 C CD2 . PHE G 170 ? 0.9159 0.9073 0.7214 -0.1375 0.1184 -0.1259 185 PHE G CD2 10470 C CE1 . PHE G 170 ? 0.9924 0.8801 0.7659 -0.1156 0.1548 -0.1135 185 PHE G CE1 10471 C CE2 . PHE G 170 ? 0.9400 0.9211 0.7508 -0.1173 0.1114 -0.1137 185 PHE G CE2 10472 C CZ . PHE G 170 ? 0.9400 0.8722 0.7362 -0.1075 0.1287 -0.1082 185 PHE G CZ 10473 N N . LYS G 171 ? 0.7935 0.7275 0.6032 -0.1061 0.1331 -0.1068 186 LYS G N 10474 C CA . LYS G 171 ? 0.7395 0.6936 0.5729 -0.0796 0.1121 -0.0904 186 LYS G CA 10475 C C . LYS G 171 ? 0.7570 0.7050 0.5935 -0.0625 0.1072 -0.0805 186 LYS G C 10476 O O . LYS G 171 ? 0.7774 0.6884 0.5960 -0.0590 0.1249 -0.0793 186 LYS G O 10477 C CB . LYS G 171 ? 0.7694 0.7007 0.6019 -0.0651 0.1192 -0.0818 186 LYS G CB 10478 C CG . LYS G 171 ? 0.8888 0.8528 0.7400 -0.0652 0.1037 -0.0810 186 LYS G CG 10479 C CD . LYS G 171 ? 1.0054 0.9450 0.8446 -0.0716 0.1197 -0.0850 186 LYS G CD 10480 C CE . LYS G 171 ? 1.0202 0.9903 0.8792 -0.0678 0.1040 -0.0819 186 LYS G CE 10481 N NZ . LYS G 171 ? 1.1052 1.0604 0.9523 -0.0833 0.1188 -0.0915 186 LYS G NZ 10482 N N . SER G 172 ? 0.6608 0.6433 0.5175 -0.0523 0.0854 -0.0740 187 SER G N 10483 C CA . SER G 172 ? 0.6423 0.6226 0.5028 -0.0382 0.0802 -0.0661 187 SER G CA 10484 C C . SER G 172 ? 0.6410 0.6455 0.5220 -0.0207 0.0623 -0.0555 187 SER G C 10485 O O . SER G 172 ? 0.6173 0.6484 0.5103 -0.0221 0.0497 -0.0553 187 SER G O 10486 C CB . SER G 172 ? 0.6934 0.6842 0.5483 -0.0515 0.0783 -0.0740 187 SER G CB 10487 O OG . SER G 172 ? 0.7793 0.8106 0.6458 -0.0572 0.0620 -0.0766 187 SER G OG 10488 N N . ASN G 173 ? 0.5768 0.5721 0.4599 -0.0049 0.0632 -0.0473 188 ASN G N 10489 C CA . ASN G 173 ? 0.5394 0.5542 0.4381 0.0085 0.0507 -0.0397 188 ASN G CA 10490 C C . ASN G 173 ? 0.5703 0.5969 0.4713 0.0061 0.0428 -0.0411 188 ASN G C 10491 O O . ASN G 173 ? 0.5814 0.5967 0.4722 0.0004 0.0488 -0.0450 188 ASN G O 10492 C CB . ASN G 173 ? 0.5273 0.5336 0.4259 0.0250 0.0572 -0.0320 188 ASN G CB 10493 C CG . ASN G 173 ? 0.7418 0.7377 0.6373 0.0328 0.0652 -0.0278 188 ASN G CG 10494 O OD1 . ASN G 173 ? 0.6129 0.6174 0.5152 0.0297 0.0599 -0.0282 188 ASN G OD1 10495 N ND2 . ASN G 173 ? 0.6463 0.6252 0.5310 0.0460 0.0785 -0.0220 188 ASN G ND2 10496 N N . SER G 174 ? 0.4940 0.5397 0.4059 0.0106 0.0317 -0.0379 189 SER G N 10497 C CA . SER G 174 ? 0.4813 0.5342 0.3925 0.0104 0.0264 -0.0380 189 SER G CA 10498 C C . SER G 174 ? 0.5094 0.5707 0.4286 0.0186 0.0216 -0.0335 189 SER G C 10499 O O . SER G 174 ? 0.4969 0.5651 0.4235 0.0219 0.0190 -0.0309 189 SER G O 10500 C CB . SER G 174 ? 0.5210 0.5878 0.4282 0.0022 0.0214 -0.0413 189 SER G CB 10501 O OG . SER G 174 ? 0.6144 0.6971 0.5281 0.0030 0.0158 -0.0396 189 SER G OG 10502 N N . ALA G 175 ? 0.4540 0.5128 0.3699 0.0199 0.0223 -0.0338 190 ALA G N 10503 C CA . ALA G 175 ? 0.4319 0.4940 0.3503 0.0234 0.0220 -0.0324 190 ALA G CA 10504 C C . ALA G 175 ? 0.4639 0.5208 0.3726 0.0224 0.0224 -0.0327 190 ALA G C 10505 O O . ALA G 175 ? 0.4573 0.5085 0.3600 0.0197 0.0241 -0.0350 190 ALA G O 10506 C CB . ALA G 175 ? 0.4363 0.5015 0.3593 0.0259 0.0264 -0.0338 190 ALA G CB 10507 N N . VAL G 176 ? 0.4145 0.4709 0.3195 0.0258 0.0227 -0.0295 191 VAL G N 10508 C CA . VAL G 176 ? 0.4168 0.4656 0.3089 0.0286 0.0254 -0.0275 191 VAL G CA 10509 C C . VAL G 176 ? 0.4561 0.4910 0.3422 0.0272 0.0345 -0.0300 191 VAL G C 10510 O O . VAL G 176 ? 0.4374 0.4721 0.3277 0.0251 0.0385 -0.0318 191 VAL G O 10511 C CB . VAL G 176 ? 0.4700 0.5262 0.3565 0.0366 0.0229 -0.0206 191 VAL G CB 10512 C CG1 . VAL G 176 ? 0.4870 0.5348 0.3565 0.0442 0.0279 -0.0159 191 VAL G CG1 10513 C CG2 . VAL G 176 ? 0.4627 0.5390 0.3547 0.0341 0.0148 -0.0210 191 VAL G CG2 10514 N N . ALA G 177 ? 0.4273 0.4516 0.3025 0.0265 0.0387 -0.0313 192 ALA G N 10515 C CA . ALA G 177 ? 0.4369 0.4455 0.3022 0.0230 0.0498 -0.0352 192 ALA G CA 10516 C C . ALA G 177 ? 0.5139 0.5053 0.3595 0.0302 0.0559 -0.0298 192 ALA G C 10517 O O . ALA G 177 ? 0.4931 0.4907 0.3351 0.0350 0.0498 -0.0260 192 ALA G O 10518 C CB . ALA G 177 ? 0.4398 0.4518 0.3098 0.0157 0.0509 -0.0425 192 ALA G CB 10519 N N . TRP G 178 ? 0.5146 0.4843 0.3451 0.0312 0.0697 -0.0294 193 TRP G N 10520 C CA . TRP G 178 ? 0.5466 0.4944 0.3533 0.0413 0.0797 -0.0226 193 TRP G CA 10521 C C . TRP G 178 ? 0.6460 0.5618 0.4338 0.0344 0.1001 -0.0284 193 TRP G C 10522 O O . TRP G 178 ? 0.6314 0.5459 0.4247 0.0215 0.1067 -0.0375 193 TRP G O 10523 C CB . TRP G 178 ? 0.5359 0.4871 0.3348 0.0584 0.0784 -0.0099 193 TRP G CB 10524 C CG . TRP G 178 ? 0.5596 0.4945 0.3513 0.0614 0.0900 -0.0072 193 TRP G CG 10525 C CD1 . TRP G 178 ? 0.6323 0.5323 0.3972 0.0691 0.1107 -0.0023 193 TRP G CD1 10526 C CD2 . TRP G 178 ? 0.5355 0.4855 0.3440 0.0580 0.0836 -0.0083 193 TRP G CD2 10527 N NE1 . TRP G 178 ? 0.6272 0.5189 0.3915 0.0690 0.1182 -0.0013 193 TRP G NE1 10528 C CE2 . TRP G 178 ? 0.6074 0.5315 0.3995 0.0622 0.1005 -0.0050 193 TRP G CE2 10529 C CE3 . TRP G 178 ? 0.5193 0.4985 0.3529 0.0514 0.0674 -0.0120 193 TRP G CE3 10530 C CZ2 . TRP G 178 ? 0.5889 0.5189 0.3911 0.0592 0.0998 -0.0057 193 TRP G CZ2 10531 C CZ3 . TRP G 178 ? 0.5292 0.5144 0.3724 0.0501 0.0663 -0.0118 193 TRP G CZ3 10532 C CH2 . TRP G 178 ? 0.5576 0.5203 0.3863 0.0538 0.0813 -0.0088 193 TRP G CH2 10533 N N . SER G 179 ? 0.6580 0.5496 0.4223 0.0419 0.1111 -0.0240 194 SER G N 10534 C CA . SER G 179 ? 0.7035 0.5569 0.4427 0.0359 0.1345 -0.0291 194 SER G CA 10535 C C . SER G 179 ? 0.8268 0.6534 0.5362 0.0553 0.1458 -0.0164 194 SER G C 10536 O O . SER G 179 ? 0.8147 0.6620 0.5273 0.0699 0.1321 -0.0064 194 SER G O 10537 C CB . SER G 179 ? 0.7377 0.5953 0.4843 0.0172 0.1355 -0.0436 194 SER G CB 10538 O OG . SER G 179 ? 0.8901 0.7112 0.6109 0.0088 0.1595 -0.0505 194 SER G OG 10539 N N . ASN G 180 ? 0.8554 0.6370 0.5339 0.0550 0.1727 -0.0174 195 ASN G N 10540 C CA . ASN G 180 ? 0.9090 0.6566 0.5523 0.0755 0.1896 -0.0044 195 ASN G CA 10541 C C . ASN G 180 ? 0.9992 0.7298 0.6307 0.0669 0.1968 -0.0117 195 ASN G C 10542 O O . ASN G 180 ? 1.0272 0.7358 0.6319 0.0846 0.2070 -0.0008 195 ASN G O 10543 C CB . ASN G 180 ? 0.9719 0.6708 0.5821 0.0824 0.2199 0.0003 195 ASN G CB 10544 C CG . ASN G 180 ? 1.2887 0.9546 0.8880 0.0546 0.2431 -0.0185 195 ASN G CG 10545 O OD1 . ASN G 180 ? 1.2016 0.8866 0.8224 0.0341 0.2378 -0.0316 195 ASN G OD1 10546 N ND2 . ASN G 180 ? 1.2376 0.8550 0.8015 0.0529 0.2706 -0.0210 195 ASN G ND2 10547 N N . LYS G 181 ? 0.9544 0.6978 0.6053 0.0412 0.1918 -0.0296 196 LYS G N 10548 C CA . LYS G 181 ? 0.9711 0.7038 0.6156 0.0291 0.1974 -0.0394 196 LYS G CA 10549 C C . LYS G 181 ? 1.0310 0.7874 0.6844 0.0408 0.1778 -0.0315 196 LYS G C 10550 O O . LYS G 181 ? 0.9946 0.7896 0.6724 0.0461 0.1547 -0.0269 196 LYS G O 10551 C CB . LYS G 181 ? 0.9758 0.7297 0.6435 0.0011 0.1941 -0.0593 196 LYS G CB 10552 N N . SER G 182 ? 1.0285 0.7595 0.6594 0.0434 0.1892 -0.0311 197 SER G N 10553 C CA . SER G 182 ? 1.0206 0.7701 0.6553 0.0520 0.1744 -0.0254 197 SER G CA 10554 C C . SER G 182 ? 1.0437 0.8203 0.7067 0.0320 0.1594 -0.0394 197 SER G C 10555 O O . SER G 182 ? 1.0126 0.8174 0.6905 0.0352 0.1408 -0.0365 197 SER G O 10556 C CB . SER G 182 ? 1.1121 0.8217 0.7101 0.0626 0.1943 -0.0197 197 SER G CB 10557 N N . ASP G 183 ? 1.0090 0.7786 0.6776 0.0112 0.1692 -0.0548 198 ASP G N 10558 C CA . ASP G 183 ? 0.9810 0.7775 0.6745 -0.0061 0.1590 -0.0679 198 ASP G CA 10559 C C . ASP G 183 ? 0.9762 0.8125 0.7017 -0.0084 0.1402 -0.0688 198 ASP G C 10560 O O . ASP G 183 ? 0.9517 0.8129 0.6978 -0.0190 0.1326 -0.0776 198 ASP G O 10561 C CB . ASP G 183 ? 1.0283 0.8083 0.7128 -0.0267 0.1790 -0.0844 198 ASP G CB 10562 C CG . ASP G 183 ? 1.2154 0.9925 0.8991 -0.0375 0.1911 -0.0918 198 ASP G CG 10563 O OD1 . ASP G 183 ? 1.2642 1.0030 0.9203 -0.0326 0.2104 -0.0875 198 ASP G OD1 10564 O OD2 . ASP G 183 ? 1.2836 1.0965 0.9924 -0.0500 0.1825 -0.1015 198 ASP G OD2 10565 N N . PHE G 184 ? 0.9068 0.7490 0.6351 0.0031 0.1340 -0.0589 199 PHE G N 10566 C CA . PHE G 184 ? 0.8615 0.7363 0.6165 0.0022 0.1183 -0.0587 199 PHE G CA 10567 C C . PHE G 184 ? 0.8688 0.7684 0.6408 0.0049 0.1003 -0.0563 199 PHE G C 10568 O O . PHE G 184 ? 0.8667 0.7663 0.6313 0.0145 0.0942 -0.0484 199 PHE G O 10569 C CB . PHE G 184 ? 0.8857 0.7582 0.6369 0.0139 0.1176 -0.0487 199 PHE G CB 10570 C CG . PHE G 184 ? 0.8692 0.7727 0.6455 0.0143 0.1018 -0.0473 199 PHE G CG 10571 C CD1 . PHE G 184 ? 0.8878 0.8079 0.6817 0.0021 0.1007 -0.0566 199 PHE G CD1 10572 C CD2 . PHE G 184 ? 0.8812 0.7996 0.6622 0.0267 0.0893 -0.0369 199 PHE G CD2 10573 C CE1 . PHE G 184 ? 0.8706 0.8159 0.6850 0.0042 0.0878 -0.0543 199 PHE G CE1 10574 C CE2 . PHE G 184 ? 0.8896 0.8326 0.6914 0.0258 0.0769 -0.0365 199 PHE G CE2 10575 C CZ . PHE G 184 ? 0.8487 0.8020 0.6664 0.0154 0.0766 -0.0445 199 PHE G CZ 10576 N N . ALA G 185 ? 0.7889 0.7100 0.5812 -0.0039 0.0942 -0.0637 200 ALA G N 10577 C CA . ALA G 185 ? 0.7607 0.6999 0.5672 -0.0029 0.0818 -0.0628 200 ALA G CA 10578 C C . ALA G 185 ? 0.7689 0.7305 0.5949 -0.0021 0.0736 -0.0622 200 ALA G C 10579 O O . ALA G 185 ? 0.7572 0.7268 0.5897 -0.0058 0.0774 -0.0659 200 ALA G O 10580 C CB . ALA G 185 ? 0.7703 0.7101 0.5784 -0.0103 0.0861 -0.0706 200 ALA G CB 10581 N N . CYS G 186 ? 0.7021 0.6732 0.5355 0.0016 0.0641 -0.0582 201 CYS G N 10582 C CA . CYS G 186 ? 0.6772 0.6649 0.5260 0.0034 0.0580 -0.0567 201 CYS G CA 10583 C C . CYS G 186 ? 0.7338 0.7347 0.5939 0.0019 0.0610 -0.0613 201 CYS G C 10584 O O . CYS G 186 ? 0.7134 0.7301 0.5849 0.0045 0.0592 -0.0607 201 CYS G O 10585 C CB . CYS G 186 ? 0.6712 0.6611 0.5202 0.0051 0.0511 -0.0530 201 CYS G CB 10586 S SG . CYS G 186 ? 0.7217 0.7123 0.5598 0.0091 0.0460 -0.0471 201 CYS G SG 10587 N N . ALA G 187 ? 0.7160 0.7134 0.5723 -0.0007 0.0658 -0.0654 202 ALA G N 10588 C CA . ALA G 187 ? 0.7199 0.7346 0.5851 0.0005 0.0697 -0.0689 202 ALA G CA 10589 C C . ALA G 187 ? 0.7824 0.8196 0.6553 -0.0035 0.0734 -0.0748 202 ALA G C 10590 O O . ALA G 187 ? 0.7718 0.8355 0.6564 0.0016 0.0729 -0.0745 202 ALA G O 10591 C CB . ALA G 187 ? 0.7404 0.7458 0.5981 -0.0023 0.0750 -0.0726 202 ALA G CB 10592 N N . ASN G 188 ? 0.7605 0.7873 0.6244 -0.0126 0.0789 -0.0801 203 ASN G N 10593 C CA . ASN G 188 ? 0.7615 0.8074 0.6292 -0.0217 0.0855 -0.0887 203 ASN G CA 10594 C C . ASN G 188 ? 0.8115 0.8562 0.6812 -0.0208 0.0829 -0.0854 203 ASN G C 10595 O O . ASN G 188 ? 0.8106 0.8713 0.6831 -0.0296 0.0887 -0.0928 203 ASN G O 10596 C CB . ASN G 188 ? 0.7867 0.8182 0.6398 -0.0352 0.0985 -0.0990 203 ASN G CB 10597 C CG . ASN G 188 ? 1.0605 1.0515 0.8939 -0.0338 0.1022 -0.0948 203 ASN G CG 10598 O OD1 . ASN G 188 ? 1.0270 0.9968 0.8506 -0.0293 0.1024 -0.0884 203 ASN G OD1 10599 N ND2 . ASN G 188 ? 0.9338 0.9156 0.7600 -0.0367 0.1064 -0.0983 203 ASN G ND2 10600 N N . ALA G 189 ? 0.7626 0.7922 0.6314 -0.0116 0.0748 -0.0753 204 ALA G N 10601 C CA . ALA G 189 ? 0.7552 0.7840 0.6264 -0.0090 0.0716 -0.0710 204 ALA G CA 10602 C C . ALA G 189 ? 0.7872 0.8450 0.6757 -0.0050 0.0656 -0.0698 204 ALA G C 10603 O O . ALA G 189 ? 0.7768 0.8460 0.6693 -0.0090 0.0676 -0.0726 204 ALA G O 10604 C CB . ALA G 189 ? 0.7665 0.7768 0.6311 -0.0009 0.0651 -0.0616 204 ALA G CB 10605 N N . PHE G 190 ? 0.7394 0.8070 0.6353 0.0032 0.0605 -0.0657 205 PHE G N 10606 C CA . PHE G 190 ? 0.7290 0.8201 0.6374 0.0113 0.0569 -0.0621 205 PHE G CA 10607 C C . PHE G 190 ? 0.8056 0.9254 0.7205 0.0160 0.0607 -0.0646 205 PHE G C 10608 O O . PHE G 190 ? 0.7949 0.9306 0.7163 0.0282 0.0595 -0.0586 205 PHE G O 10609 C CB . PHE G 190 ? 0.7461 0.8216 0.6538 0.0197 0.0517 -0.0537 205 PHE G CB 10610 C CG . PHE G 190 ? 0.7579 0.8177 0.6621 0.0175 0.0468 -0.0505 205 PHE G CG 10611 C CD1 . PHE G 190 ? 0.7834 0.8523 0.6947 0.0190 0.0436 -0.0483 205 PHE G CD1 10612 C CD2 . PHE G 190 ? 0.7881 0.8284 0.6823 0.0150 0.0452 -0.0492 205 PHE G CD2 10613 C CE1 . PHE G 190 ? 0.7932 0.8511 0.7016 0.0185 0.0393 -0.0449 205 PHE G CE1 10614 C CE2 . PHE G 190 ? 0.8219 0.8564 0.7132 0.0153 0.0405 -0.0456 205 PHE G CE2 10615 C CZ . PHE G 190 ? 0.7882 0.8312 0.6869 0.0173 0.0377 -0.0433 205 PHE G CZ 10616 N N . ASN G 191 ? 0.7898 0.9173 0.7015 0.0075 0.0666 -0.0730 206 ASN G N 10617 C CA . ASN G 191 ? 0.7968 0.9580 0.7146 0.0120 0.0706 -0.0760 206 ASN G CA 10618 C C . ASN G 191 ? 0.8462 1.0550 0.7762 0.0154 0.0702 -0.0779 206 ASN G C 10619 O O . ASN G 191 ? 0.8408 1.0775 0.7770 0.0312 0.0703 -0.0717 206 ASN G O 10620 C CB . ASN G 191 ? 0.8402 1.0010 0.7515 -0.0013 0.0777 -0.0869 206 ASN G CB 10621 C CG . ASN G 191 ? 1.2250 1.3959 1.1335 -0.0202 0.0845 -0.0999 206 ASN G CG 10622 O OD1 . ASN G 191 ? 1.1603 1.3144 1.0646 -0.0264 0.0847 -0.1004 206 ASN G OD1 10623 N ND2 . ASN G 191 ? 1.1507 1.3485 1.0596 -0.0308 0.0922 -0.1117 206 ASN G ND2 10624 N N . ASN G 192 ? 0.8002 1.0175 0.7316 0.0019 0.0710 -0.0855 207 ASN G N 10625 C CA . ASN G 192 ? 0.7888 1.0534 0.7308 0.0013 0.0708 -0.0893 207 ASN G CA 10626 C C . ASN G 192 ? 0.8221 1.0713 0.7651 0.0003 0.0664 -0.0853 207 ASN G C 10627 O O . ASN G 192 ? 0.8148 1.0894 0.7616 -0.0101 0.0687 -0.0931 207 ASN G O 10628 C CB . ASN G 192 ? 0.8277 1.1260 0.7696 -0.0191 0.0795 -0.1067 207 ASN G CB 10629 C CG . ASN G 192 ? 1.1996 1.5497 1.1489 -0.0136 0.0818 -0.1104 207 ASN G CG 10630 O OD1 . ASN G 192 ? 1.1420 1.5309 1.1009 0.0060 0.0777 -0.1017 207 ASN G OD1 10631 N ND2 . ASN G 192 ? 1.1156 1.4693 1.0593 -0.0298 0.0900 -0.1233 207 ASN G ND2 10632 N N . SER G 193 ? 0.7682 0.9783 0.7074 0.0102 0.0609 -0.0742 208 SER G N 10633 C CA . SER G 193 ? 0.7561 0.9501 0.6962 0.0110 0.0562 -0.0693 208 SER G CA 10634 C C . SER G 193 ? 0.7723 0.9689 0.7178 0.0289 0.0509 -0.0575 208 SER G C 10635 O O . SER G 193 ? 0.7585 0.9602 0.7086 0.0307 0.0476 -0.0547 208 SER G O 10636 C CB . SER G 193 ? 0.8179 0.9669 0.7470 0.0051 0.0560 -0.0678 208 SER G CB 10637 O OG . SER G 193 ? 0.9613 1.1021 0.8816 -0.0102 0.0644 -0.0776 208 SER G OG 10638 N N . ILE G 194 ? 0.7152 0.9052 0.6580 0.0417 0.0521 -0.0508 209 ILE G N 10639 C CA . ILE G 194 ? 0.7070 0.8911 0.6493 0.0587 0.0521 -0.0398 209 ILE G CA 10640 C C . ILE G 194 ? 0.7309 0.9608 0.6809 0.0724 0.0539 -0.0363 209 ILE G C 10641 O O . ILE G 194 ? 0.7226 0.9875 0.6757 0.0766 0.0572 -0.0389 209 ILE G O 10642 C CB . ILE G 194 ? 0.7617 0.9155 0.6935 0.0663 0.0570 -0.0344 209 ILE G CB 10643 C CG1 . ILE G 194 ? 0.7786 0.9178 0.7046 0.0824 0.0620 -0.0238 209 ILE G CG1 10644 C CG2 . ILE G 194 ? 0.7805 0.9500 0.7109 0.0696 0.0623 -0.0369 209 ILE G CG2 10645 C CD1 . ILE G 194 ? 0.9263 1.0275 0.8377 0.0866 0.0706 -0.0198 209 ILE G CD1 10646 N N . ILE G 195 ? 0.6707 0.9039 0.6236 0.0793 0.0515 -0.0306 210 ILE G N 10647 C CA . ILE G 195 ? 0.8114 1.0888 0.7703 0.0942 0.0528 -0.0257 210 ILE G CA 10648 C C . ILE G 195 ? 1.0742 1.3294 1.0260 0.1132 0.0565 -0.0125 210 ILE G C 10649 O O . ILE G 195 ? 0.5656 0.8484 0.5163 0.1341 0.0612 -0.0036 210 ILE G O 10650 C CB . ILE G 195 ? 0.8320 1.1447 0.8012 0.0801 0.0479 -0.0350 210 ILE G CB 10651 C CG1 . ILE G 195 ? 0.8279 1.1061 0.7968 0.0669 0.0431 -0.0370 210 ILE G CG1 10652 C CG2 . ILE G 195 ? 0.8378 1.1813 0.8110 0.0628 0.0495 -0.0491 210 ILE G CG2 10653 C CD1 . ILE G 195 ? 0.8899 1.1787 0.8627 0.0756 0.0407 -0.0308 210 ILE G CD1 10654 N N . GLY H 2 ? 0.3348 0.5199 0.3619 -0.0993 0.0339 -0.1113 3 GLY H N 10655 C CA . GLY H 2 ? 0.3204 0.5210 0.3472 -0.0933 0.0271 -0.0998 3 GLY H CA 10656 C C . GLY H 2 ? 0.3394 0.5427 0.3520 -0.0797 0.0169 -0.0853 3 GLY H C 10657 O O . GLY H 2 ? 0.3412 0.5702 0.3491 -0.0784 0.0101 -0.0797 3 GLY H O 10658 N N . VAL H 3 ? 0.2639 0.4423 0.2697 -0.0695 0.0171 -0.0790 4 VAL H N 10659 C CA . VAL H 3 ? 0.2509 0.4271 0.2433 -0.0581 0.0100 -0.0671 4 VAL H CA 10660 C C . VAL H 3 ? 0.2868 0.4809 0.2712 -0.0618 0.0048 -0.0711 4 VAL H C 10661 O O . VAL H 3 ? 0.2820 0.4746 0.2672 -0.0687 0.0065 -0.0818 4 VAL H O 10662 C CB . VAL H 3 ? 0.2967 0.4459 0.2844 -0.0482 0.0120 -0.0615 4 VAL H CB 10663 C CG1 . VAL H 3 ? 0.2853 0.4320 0.2602 -0.0384 0.0065 -0.0505 4 VAL H CG1 10664 C CG2 . VAL H 3 ? 0.2955 0.4292 0.2924 -0.0436 0.0188 -0.0583 4 VAL H CG2 10665 N N . THR H 4 ? 0.2285 0.4396 0.2051 -0.0559 -0.0001 -0.0614 5 THR H N 10666 C CA . THR H 4 ? 0.2221 0.4518 0.1907 -0.0556 -0.0038 -0.0615 5 THR H CA 10667 C C . THR H 4 ? 0.2699 0.4833 0.2263 -0.0438 -0.0044 -0.0498 5 THR H C 10668 O O . THR H 4 ? 0.2697 0.4668 0.2234 -0.0363 -0.0029 -0.0406 5 THR H O 10669 C CB . THR H 4 ? 0.3108 0.5793 0.2812 -0.0585 -0.0061 -0.0602 5 THR H CB 10670 O OG1 . THR H 4 ? 0.2834 0.5556 0.2515 -0.0496 -0.0059 -0.0459 5 THR H OG1 10671 C CG2 . THR H 4 ? 0.2900 0.5773 0.2727 -0.0737 -0.0047 -0.0757 5 THR H CG2 10672 N N . GLN H 5 ? 0.2245 0.4409 0.1739 -0.0427 -0.0055 -0.0510 6 GLN H N 10673 C CA . GLN H 5 ? 0.2216 0.4219 0.1601 -0.0336 -0.0040 -0.0422 6 GLN H CA 10674 C C . GLN H 5 ? 0.2898 0.5084 0.2216 -0.0299 -0.0037 -0.0383 6 GLN H C 10675 O O . GLN H 5 ? 0.2811 0.5151 0.2154 -0.0355 -0.0061 -0.0469 6 GLN H O 10676 C CB . GLN H 5 ? 0.2299 0.4051 0.1673 -0.0353 -0.0036 -0.0482 6 GLN H CB 10677 C CG . GLN H 5 ? 0.1898 0.3445 0.1293 -0.0325 -0.0018 -0.0458 6 GLN H CG 10678 C CD . GLN H 5 ? 0.3424 0.4792 0.2784 -0.0320 -0.0010 -0.0494 6 GLN H CD 10679 O OE1 . GLN H 5 ? 0.2679 0.3975 0.2098 -0.0343 0.0002 -0.0548 6 GLN H OE1 10680 N NE2 . GLN H 5 ? 0.2080 0.3388 0.1347 -0.0289 -0.0001 -0.0462 6 GLN H NE2 10681 N N . THR H 6 ? 0.2593 0.4761 0.1824 -0.0195 0.0008 -0.0249 7 THR H N 10682 C CA . THR H 6 ? 0.2609 0.4935 0.1774 -0.0127 0.0042 -0.0182 7 THR H CA 10683 C C . THR H 6 ? 0.3296 0.5354 0.2361 -0.0054 0.0116 -0.0107 7 THR H C 10684 O O . THR H 6 ? 0.3351 0.5202 0.2376 -0.0020 0.0156 -0.0050 7 THR H O 10685 C CB . THR H 6 ? 0.3331 0.5993 0.2493 -0.0061 0.0061 -0.0075 7 THR H CB 10686 O OG1 . THR H 6 ? 0.3569 0.6115 0.2684 0.0019 0.0113 0.0054 7 THR H OG1 10687 C CG2 . THR H 6 ? 0.3115 0.6096 0.2380 -0.0160 -0.0006 -0.0175 7 THR H CG2 10688 N N . PRO H 7 ? 0.2891 0.4950 0.1914 -0.0032 0.0145 -0.0112 8 PRO H N 10689 C CA . PRO H 7 ? 0.2836 0.5127 0.1897 -0.0064 0.0101 -0.0181 8 PRO H CA 10690 C C . PRO H 7 ? 0.3179 0.5347 0.2294 -0.0177 0.0031 -0.0334 8 PRO H C 10691 O O . PRO H 7 ? 0.3050 0.4965 0.2163 -0.0210 0.0029 -0.0367 8 PRO H O 10692 C CB . PRO H 7 ? 0.3151 0.5409 0.2134 0.0031 0.0187 -0.0095 8 PRO H CB 10693 C CG . PRO H 7 ? 0.3821 0.5709 0.2744 0.0035 0.0253 -0.0076 8 PRO H CG 10694 C CD . PRO H 7 ? 0.3219 0.5019 0.2155 0.0020 0.0237 -0.0058 8 PRO H CD 10695 N N . LYS H 8 ? 0.2718 0.5074 0.1873 -0.0229 -0.0015 -0.0421 9 LYS H N 10696 C CA . LYS H 8 ? 0.2664 0.4884 0.1856 -0.0322 -0.0057 -0.0549 9 LYS H CA 10697 C C . LYS H 8 ? 0.3221 0.5234 0.2353 -0.0295 -0.0033 -0.0540 9 LYS H C 10698 O O . LYS H 8 ? 0.3229 0.5046 0.2366 -0.0341 -0.0045 -0.0598 9 LYS H O 10699 C CB . LYS H 8 ? 0.3039 0.5502 0.2286 -0.0395 -0.0100 -0.0657 9 LYS H CB 10700 C CG . LYS H 8 ? 0.5363 0.7671 0.4660 -0.0496 -0.0118 -0.0784 9 LYS H CG 10701 C CD . LYS H 8 ? 0.6954 0.9483 0.6308 -0.0591 -0.0137 -0.0909 9 LYS H CD 10702 C CE . LYS H 8 ? 0.8552 1.0897 0.7962 -0.0687 -0.0115 -0.1021 9 LYS H CE 10703 N NZ . LYS H 8 ? 0.9708 1.2015 0.9187 -0.0723 -0.0091 -0.1026 9 LYS H NZ 10704 N N . HIS H 9 ? 0.2819 0.4891 0.1896 -0.0215 0.0014 -0.0458 10 HIS H N 10705 C CA . HIS H 9 ? 0.2798 0.4692 0.1824 -0.0194 0.0053 -0.0449 10 HIS H CA 10706 C C . HIS H 9 ? 0.3076 0.4896 0.2035 -0.0098 0.0158 -0.0327 10 HIS H C 10707 O O . HIS H 9 ? 0.2998 0.4991 0.1945 -0.0015 0.0202 -0.0229 10 HIS H O 10708 C CB . HIS H 9 ? 0.2929 0.4953 0.1965 -0.0203 0.0021 -0.0501 10 HIS H CB 10709 C CG . HIS H 9 ? 0.3358 0.5390 0.2444 -0.0300 -0.0052 -0.0624 10 HIS H CG 10710 N ND1 . HIS H 9 ? 0.3605 0.5437 0.2683 -0.0346 -0.0064 -0.0680 10 HIS H ND1 10711 C CD2 . HIS H 9 ? 0.3603 0.5818 0.2744 -0.0357 -0.0096 -0.0699 10 HIS H CD2 10712 C CE1 . HIS H 9 ? 0.3537 0.5411 0.2659 -0.0414 -0.0103 -0.0770 10 HIS H CE1 10713 N NE2 . HIS H 9 ? 0.3586 0.5673 0.2749 -0.0434 -0.0120 -0.0796 10 HIS H NE2 10714 N N . LEU H 10 ? 0.2648 0.4221 0.1565 -0.0111 0.0210 -0.0334 11 LEU H N 10715 C CA . LEU H 10 ? 0.2719 0.4156 0.1571 -0.0041 0.0340 -0.0240 11 LEU H CA 10716 C C . LEU H 10 ? 0.3289 0.4549 0.2112 -0.0068 0.0396 -0.0279 11 LEU H C 10717 O O . LEU H 10 ? 0.3175 0.4311 0.2003 -0.0156 0.0355 -0.0371 11 LEU H O 10718 C CB . LEU H 10 ? 0.2762 0.4038 0.1582 -0.0046 0.0380 -0.0210 11 LEU H CB 10719 C CG . LEU H 10 ? 0.3451 0.4616 0.2199 0.0044 0.0532 -0.0087 11 LEU H CG 10720 C CD1 . LEU H 10 ? 0.3454 0.4872 0.2202 0.0164 0.0568 0.0042 11 LEU H CD1 10721 C CD2 . LEU H 10 ? 0.3642 0.4653 0.2366 0.0018 0.0540 -0.0086 11 LEU H CD2 10722 N N . ILE H 11 ? 0.3011 0.4286 0.1806 0.0017 0.0504 -0.0197 12 ILE H N 10723 C CA . ILE H 11 ? 0.3092 0.4214 0.1869 -0.0002 0.0577 -0.0224 12 ILE H CA 10724 C C . ILE H 11 ? 0.3903 0.4842 0.2620 0.0064 0.0768 -0.0131 12 ILE H C 10725 O O . ILE H 11 ? 0.3961 0.5000 0.2660 0.0190 0.0858 -0.0002 12 ILE H O 10726 C CB . ILE H 11 ? 0.3472 0.4777 0.2279 0.0052 0.0551 -0.0209 12 ILE H CB 10727 C CG1 . ILE H 11 ? 0.3421 0.4849 0.2276 -0.0029 0.0386 -0.0318 12 ILE H CG1 10728 C CG2 . ILE H 11 ? 0.3599 0.4744 0.2389 0.0060 0.0662 -0.0205 12 ILE H CG2 10729 C CD1 . ILE H 11 ? 0.4727 0.6382 0.3618 -0.0025 0.0290 -0.0324 12 ILE H CD1 10730 N N . THR H 12 ? 0.3631 0.4314 0.2315 -0.0021 0.0844 -0.0198 13 THR H N 10731 C CA . THR H 12 ? 0.3841 0.4303 0.2463 0.0021 0.1051 -0.0129 13 THR H CA 10732 C C . THR H 12 ? 0.4439 0.4660 0.3042 -0.0086 0.1155 -0.0229 13 THR H C 10733 O O . THR H 12 ? 0.4292 0.4544 0.2927 -0.0196 0.1043 -0.0350 13 THR H O 10734 C CB . THR H 12 ? 0.5111 0.5512 0.3691 0.0036 0.1069 -0.0085 13 THR H CB 10735 O OG1 . THR H 12 ? 0.5524 0.5713 0.4032 0.0106 0.1298 0.0012 13 THR H OG1 10736 C CG2 . THR H 12 ? 0.4601 0.4917 0.3184 -0.0102 0.0968 -0.0219 13 THR H CG2 10737 N N . ALA H 13 ? 0.4249 0.4243 0.2799 -0.0050 0.1385 -0.0173 14 ALA H N 10738 C CA . ALA H 13 ? 0.4384 0.4136 0.2917 -0.0162 0.1529 -0.0274 14 ALA H CA 10739 C C . ALA H 13 ? 0.4767 0.4355 0.3256 -0.0308 0.1543 -0.0400 14 ALA H C 10740 O O . ALA H 13 ? 0.4713 0.4312 0.3171 -0.0280 0.1502 -0.0363 14 ALA H O 10741 C CB . ALA H 13 ? 0.4726 0.4285 0.3224 -0.0053 0.1808 -0.0154 14 ALA H CB 10742 N N . THR H 14 ? 0.4248 0.3706 0.2734 -0.0464 0.1606 -0.0552 15 THR H N 10743 C CA . THR H 14 ? 0.4211 0.3551 0.2652 -0.0611 0.1634 -0.0687 15 THR H CA 10744 C C . THR H 14 ? 0.4908 0.3962 0.3265 -0.0570 0.1880 -0.0622 15 THR H C 10745 O O . THR H 14 ? 0.4923 0.3824 0.3262 -0.0464 0.2083 -0.0505 15 THR H O 10746 C CB . THR H 14 ? 0.4778 0.4104 0.3238 -0.0799 0.1651 -0.0875 15 THR H CB 10747 O OG1 . THR H 14 ? 0.4835 0.3966 0.3294 -0.0808 0.1871 -0.0871 15 THR H OG1 10748 C CG2 . THR H 14 ? 0.4108 0.3722 0.2633 -0.0845 0.1409 -0.0941 15 THR H CG2 10749 N N . GLY H 15 ? 0.4595 0.3584 0.2902 -0.0641 0.1872 -0.0688 16 GLY H N 10750 C CA . GLY H 15 ? 0.4797 0.3502 0.3011 -0.0614 0.2102 -0.0639 16 GLY H CA 10751 C C . GLY H 15 ? 0.5269 0.4002 0.3452 -0.0421 0.2097 -0.0432 16 GLY H C 10752 O O . GLY H 15 ? 0.5452 0.3980 0.3551 -0.0386 0.2253 -0.0376 16 GLY H O 10753 N N . GLN H 16 ? 0.4584 0.3583 0.2831 -0.0298 0.1925 -0.0320 17 GLN H N 10754 C CA . GLN H 16 ? 0.4462 0.3586 0.2698 -0.0122 0.1887 -0.0131 17 GLN H CA 10755 C C . GLN H 16 ? 0.4631 0.3855 0.2866 -0.0152 0.1713 -0.0161 17 GLN H C 10756 O O . GLN H 16 ? 0.4364 0.3617 0.2620 -0.0290 0.1591 -0.0318 17 GLN H O 10757 C CB . GLN H 16 ? 0.4469 0.3886 0.2784 -0.0018 0.1752 -0.0046 17 GLN H CB 10758 C CG . GLN H 16 ? 0.7068 0.6428 0.5378 0.0096 0.1949 0.0067 17 GLN H CG 10759 C CD . GLN H 16 ? 1.0171 0.9573 0.8432 0.0301 0.2087 0.0292 17 GLN H CD 10760 O OE1 . GLN H 16 ? 1.0123 0.9265 0.8299 0.0354 0.2327 0.0374 17 GLN H OE1 10761 N NE2 . GLN H 16 ? 0.8880 0.8627 0.7190 0.0418 0.1943 0.0396 17 GLN H NE2 10762 N N . ARG H 17 ? 0.4278 0.3572 0.2487 -0.0011 0.1714 0.0002 18 ARG H N 10763 C CA . ARG H 17 ? 0.4071 0.3468 0.2286 -0.0007 0.1564 0.0010 18 ARG H CA 10764 C C . ARG H 17 ? 0.4232 0.3960 0.2524 0.0091 0.1387 0.0105 18 ARG H C 10765 O O . ARG H 17 ? 0.4228 0.4065 0.2519 0.0216 0.1459 0.0242 18 ARG H O 10766 C CB . ARG H 17 ? 0.4288 0.3462 0.2397 0.0062 0.1745 0.0114 18 ARG H CB 10767 C CG . ARG H 17 ? 0.5869 0.5129 0.3983 0.0069 0.1601 0.0127 18 ARG H CG 10768 C CD . ARG H 17 ? 0.8273 0.7287 0.6273 0.0121 0.1776 0.0210 18 ARG H CD 10769 N NE . ARG H 17 ? 1.0024 0.9137 0.8042 0.0126 0.1622 0.0215 18 ARG H NE 10770 C CZ . ARG H 17 ? 1.2000 1.0963 0.9974 0.0045 0.1627 0.0118 18 ARG H CZ 10771 N NH1 . ARG H 17 ? 1.0611 0.9321 0.8512 -0.0065 0.1784 -0.0005 18 ARG H NH1 10772 N NH2 . ARG H 17 ? 1.0234 0.9308 0.8237 0.0071 0.1486 0.0142 18 ARG H NH2 10773 N N . VAL H 18 ? 0.3478 0.3379 0.1840 0.0033 0.1171 0.0030 19 VAL H N 10774 C CA . VAL H 18 ? 0.3268 0.3473 0.1709 0.0092 0.1011 0.0086 19 VAL H CA 10775 C C . VAL H 18 ? 0.3776 0.4052 0.2240 0.0098 0.0903 0.0104 19 VAL H C 10776 O O . VAL H 18 ? 0.3690 0.3828 0.2138 0.0031 0.0884 0.0028 19 VAL H O 10777 C CB . VAL H 18 ? 0.3553 0.3933 0.2084 0.0021 0.0860 -0.0024 19 VAL H CB 10778 C CG1 . VAL H 18 ? 0.3604 0.3967 0.2124 0.0045 0.0956 -0.0010 19 VAL H CG1 10779 C CG2 . VAL H 18 ? 0.3396 0.3726 0.1961 -0.0109 0.0750 -0.0182 19 VAL H CG2 10780 N N . THR H 19 ? 0.3381 0.3905 0.1891 0.0176 0.0830 0.0197 20 THR H N 10781 C CA . THR H 19 ? 0.3305 0.3929 0.1855 0.0185 0.0731 0.0222 20 THR H CA 10782 C C . THR H 19 ? 0.3621 0.4519 0.2287 0.0140 0.0560 0.0155 20 THR H C 10783 O O . THR H 19 ? 0.3494 0.4618 0.2191 0.0176 0.0543 0.0190 20 THR H O 10784 C CB . THR H 19 ? 0.4782 0.5433 0.3267 0.0316 0.0837 0.0405 20 THR H CB 10785 O OG1 . THR H 19 ? 0.4821 0.5587 0.3358 0.0317 0.0730 0.0423 20 THR H OG1 10786 C CG2 . THR H 19 ? 0.5048 0.5931 0.3523 0.0428 0.0904 0.0536 20 THR H CG2 10787 N N . LEU H 20 ? 0.3202 0.4077 0.1932 0.0062 0.0451 0.0054 21 LEU H N 10788 C CA . LEU H 20 ? 0.3074 0.4145 0.1913 0.0008 0.0319 -0.0022 21 LEU H CA 10789 C C . LEU H 20 ? 0.3461 0.4620 0.2346 0.0034 0.0279 0.0031 21 LEU H C 10790 O O . LEU H 20 ? 0.3374 0.4379 0.2230 0.0053 0.0303 0.0059 21 LEU H O 10791 C CB . LEU H 20 ? 0.3030 0.4013 0.1912 -0.0084 0.0253 -0.0160 21 LEU H CB 10792 C CG . LEU H 20 ? 0.3737 0.4588 0.2564 -0.0122 0.0301 -0.0220 21 LEU H CG 10793 C CD1 . LEU H 20 ? 0.3676 0.4501 0.2545 -0.0198 0.0233 -0.0336 21 LEU H CD1 10794 C CD2 . LEU H 20 ? 0.4185 0.5140 0.3005 -0.0104 0.0324 -0.0204 21 LEU H CD2 10795 N N . ARG H 21 ? 0.2985 0.4404 0.1937 0.0036 0.0226 0.0047 22 ARG H N 10796 C CA . ARG H 21 ? 0.2966 0.4495 0.1972 0.0052 0.0194 0.0095 22 ARG H CA 10797 C C . ARG H 21 ? 0.3457 0.5052 0.2585 -0.0041 0.0104 -0.0025 22 ARG H C 10798 O O . ARG H 21 ? 0.3408 0.5035 0.2576 -0.0109 0.0067 -0.0132 22 ARG H O 10799 C CB . ARG H 21 ? 0.3096 0.4907 0.2087 0.0123 0.0222 0.0213 22 ARG H CB 10800 C CG . ARG H 21 ? 0.4846 0.6541 0.3713 0.0244 0.0345 0.0373 22 ARG H CG 10801 C CD . ARG H 21 ? 0.5937 0.7923 0.4766 0.0349 0.0405 0.0520 22 ARG H CD 10802 N NE . ARG H 21 ? 0.6943 0.8742 0.5641 0.0473 0.0561 0.0673 22 ARG H NE 10803 C CZ . ARG H 21 ? 0.9083 1.1055 0.7713 0.0601 0.0673 0.0829 22 ARG H CZ 10804 N NH1 . ARG H 21 ? 0.7533 0.9923 0.6216 0.0623 0.0628 0.0851 22 ARG H NH1 10805 N NH2 . ARG H 21 ? 0.7915 0.9655 0.6422 0.0711 0.0844 0.0966 22 ARG H NH2 10806 N N . CYS H 22 ? 0.3077 0.4670 0.2263 -0.0038 0.0086 -0.0003 23 CYS H N 10807 C CA . CYS H 22 ? 0.3059 0.4689 0.2368 -0.0116 0.0035 -0.0104 23 CYS H CA 10808 C C . CYS H 22 ? 0.3420 0.5195 0.2799 -0.0108 0.0027 -0.0052 23 CYS H C 10809 O O . CYS H 22 ? 0.3485 0.5202 0.2817 -0.0029 0.0053 0.0063 23 CYS H O 10810 C CB . CYS H 22 ? 0.3176 0.4564 0.2498 -0.0121 0.0037 -0.0155 23 CYS H CB 10811 S SG . CYS H 22 ? 0.3663 0.5041 0.3135 -0.0166 0.0025 -0.0222 23 CYS H SG 10812 N N . SER H 23 ? 0.2685 0.4634 0.2177 -0.0199 -0.0001 -0.0145 24 SER H N 10813 C CA . SER H 23 ? 0.2565 0.4658 0.2147 -0.0219 -0.0005 -0.0124 24 SER H CA 10814 C C . SER H 23 ? 0.2800 0.4748 0.2504 -0.0287 0.0007 -0.0228 24 SER H C 10815 O O . SER H 23 ? 0.2810 0.4781 0.2574 -0.0381 0.0011 -0.0358 24 SER H O 10816 C CB . SER H 23 ? 0.3118 0.5592 0.2733 -0.0277 -0.0024 -0.0147 24 SER H CB 10817 O OG . SER H 23 ? 0.4615 0.7243 0.4123 -0.0174 -0.0011 -0.0003 24 SER H OG 10818 N N . PRO H 24 ? 0.2178 0.3959 0.1913 -0.0226 0.0028 -0.0164 25 PRO H N 10819 C CA . PRO H 24 ? 0.2118 0.3755 0.1973 -0.0262 0.0066 -0.0241 25 PRO H CA 10820 C C . PRO H 24 ? 0.2479 0.4280 0.2474 -0.0381 0.0092 -0.0339 25 PRO H C 10821 O O . PRO H 24 ? 0.2485 0.4555 0.2488 -0.0431 0.0065 -0.0338 25 PRO H O 10822 C CB . PRO H 24 ? 0.2294 0.3777 0.2145 -0.0151 0.0081 -0.0125 25 PRO H CB 10823 C CG . PRO H 24 ? 0.2864 0.4467 0.2633 -0.0095 0.0055 -0.0005 25 PRO H CG 10824 C CD . PRO H 24 ? 0.2373 0.4084 0.2035 -0.0112 0.0033 -0.0014 25 PRO H CD 10825 N N . ARG H 25 ? 0.1924 0.3578 0.2032 -0.0424 0.0160 -0.0422 26 ARG H N 10826 C CA . ARG H 25 ? 0.1899 0.3655 0.2152 -0.0549 0.0219 -0.0531 26 ARG H CA 10827 C C . ARG H 25 ? 0.2350 0.4243 0.2657 -0.0533 0.0208 -0.0452 26 ARG H C 10828 O O . ARG H 25 ? 0.2408 0.4190 0.2673 -0.0404 0.0192 -0.0313 26 ARG H O 10829 C CB . ARG H 25 ? 0.1859 0.3370 0.2220 -0.0559 0.0333 -0.0595 26 ARG H CB 10830 C CG . ARG H 25 ? 0.2551 0.3927 0.2876 -0.0579 0.0371 -0.0676 26 ARG H CG 10831 C CD . ARG H 25 ? 0.3442 0.4615 0.3891 -0.0598 0.0521 -0.0739 26 ARG H CD 10832 N NE . ARG H 25 ? 0.4013 0.5042 0.4528 -0.0475 0.0578 -0.0627 26 ARG H NE 10833 C CZ . ARG H 25 ? 0.5750 0.6639 0.6406 -0.0479 0.0726 -0.0650 26 ARG H CZ 10834 N NH1 . ARG H 25 ? 0.4226 0.5072 0.4968 -0.0614 0.0846 -0.0793 26 ARG H NH1 10835 N NH2 . ARG H 25 ? 0.4383 0.5166 0.5093 -0.0347 0.0769 -0.0532 26 ARG H NH2 10836 N N . SER H 26 ? 0.1837 0.3986 0.2233 -0.0665 0.0219 -0.0540 27 SER H N 10837 C CA . SER H 26 ? 0.1754 0.4071 0.2210 -0.0660 0.0212 -0.0467 27 SER H CA 10838 C C . SER H 26 ? 0.2226 0.4275 0.2785 -0.0592 0.0289 -0.0415 27 SER H C 10839 O O . SER H 26 ? 0.2282 0.4152 0.2951 -0.0650 0.0392 -0.0517 27 SER H O 10840 C CB . SER H 26 ? 0.2177 0.4843 0.2731 -0.0842 0.0225 -0.0607 27 SER H CB 10841 O OG . SER H 26 ? 0.3524 0.6410 0.4120 -0.0829 0.0205 -0.0518 27 SER H OG 10842 N N . GLY H 27 ? 0.1611 0.3617 0.2121 -0.0453 0.0252 -0.0245 28 GLY H N 10843 C CA . GLY H 27 ? 0.1536 0.3315 0.2127 -0.0354 0.0313 -0.0164 28 GLY H CA 10844 C C . GLY H 27 ? 0.1944 0.3436 0.2457 -0.0204 0.0318 -0.0087 28 GLY H C 10845 O O . GLY H 27 ? 0.1866 0.3195 0.2430 -0.0093 0.0362 0.0000 28 GLY H O 10846 N N . ASP H 28 ? 0.1478 0.2930 0.1871 -0.0198 0.0278 -0.0120 29 ASP H N 10847 C CA . ASP H 28 ? 0.1391 0.2628 0.1699 -0.0075 0.0277 -0.0065 29 ASP H CA 10848 C C . ASP H 28 ? 0.1894 0.3127 0.2057 0.0036 0.0206 0.0071 29 ASP H C 10849 O O . ASP H 28 ? 0.1797 0.3173 0.1863 0.0011 0.0151 0.0097 29 ASP H O 10850 C CB . ASP H 28 ? 0.1598 0.2793 0.1853 -0.0128 0.0278 -0.0168 29 ASP H CB 10851 C CG . ASP H 28 ? 0.2964 0.4060 0.3344 -0.0187 0.0385 -0.0275 29 ASP H CG 10852 O OD1 . ASP H 28 ? 0.3050 0.4112 0.3571 -0.0208 0.0470 -0.0287 29 ASP H OD1 10853 O OD2 . ASP H 28 ? 0.3979 0.5019 0.4315 -0.0208 0.0398 -0.0340 29 ASP H OD2 10854 N N . LEU H 29 ? 0.1473 0.2548 0.1621 0.0166 0.0223 0.0160 37 LEU H N 10855 C CA . LEU H 29 ? 0.1380 0.2409 0.1396 0.0275 0.0182 0.0286 37 LEU H CA 10856 C C . LEU H 29 ? 0.1623 0.2533 0.1510 0.0328 0.0168 0.0278 37 LEU H C 10857 O O . LEU H 29 ? 0.1568 0.2438 0.1319 0.0382 0.0145 0.0349 37 LEU H O 10858 C CB . LEU H 29 ? 0.1403 0.2366 0.1496 0.0378 0.0213 0.0388 37 LEU H CB 10859 C CG . LEU H 29 ? 0.2036 0.3125 0.2166 0.0373 0.0199 0.0473 37 LEU H CG 10860 C CD1 . LEU H 29 ? 0.2092 0.3371 0.2342 0.0225 0.0211 0.0375 37 LEU H CD1 10861 C CD2 . LEU H 29 ? 0.2265 0.3261 0.2477 0.0487 0.0235 0.0574 37 LEU H CD2 10862 N N . SER H 30 ? 0.1148 0.2009 0.1074 0.0310 0.0195 0.0191 38 SER H N 10863 C CA . SER H 30 ? 0.1134 0.1931 0.0954 0.0345 0.0184 0.0166 38 SER H CA 10864 C C . SER H 30 ? 0.1775 0.2616 0.1545 0.0242 0.0164 0.0064 38 SER H C 10865 O O . SER H 30 ? 0.1765 0.2653 0.1624 0.0166 0.0184 -0.0010 38 SER H O 10866 C CB . SER H 30 ? 0.1493 0.2241 0.1388 0.0433 0.0237 0.0170 38 SER H CB 10867 O OG . SER H 30 ? 0.2512 0.3256 0.2307 0.0462 0.0225 0.0141 38 SER H OG 10868 N N . VAL H 31 ? 0.1434 0.2252 0.1062 0.0236 0.0134 0.0058 39 VAL H N 10869 C CA . VAL H 31 ? 0.1440 0.2292 0.1008 0.0154 0.0115 -0.0025 39 VAL H CA 10870 C C . VAL H 31 ? 0.1942 0.2744 0.1435 0.0175 0.0120 -0.0064 39 VAL H C 10871 O O . VAL H 31 ? 0.1900 0.2650 0.1328 0.0237 0.0127 -0.0023 39 VAL H O 10872 C CB . VAL H 31 ? 0.1948 0.2852 0.1424 0.0113 0.0092 0.0000 39 VAL H CB 10873 C CG1 . VAL H 31 ? 0.1895 0.2946 0.1458 0.0057 0.0081 -0.0006 39 VAL H CG1 10874 C CG2 . VAL H 31 ? 0.1993 0.2821 0.1359 0.0185 0.0107 0.0101 39 VAL H CG2 10875 N N . TYR H 32 ? 0.1570 0.2405 0.1067 0.0119 0.0118 -0.0147 40 TYR H N 10876 C CA . TYR H 32 ? 0.1499 0.2339 0.0934 0.0126 0.0121 -0.0193 40 TYR H CA 10877 C C . TYR H 32 ? 0.2112 0.2971 0.1482 0.0041 0.0101 -0.0261 40 TYR H C 10878 O O . TYR H 32 ? 0.2094 0.2987 0.1511 -0.0012 0.0093 -0.0294 40 TYR H O 10879 C CB . TYR H 32 ? 0.1539 0.2426 0.1066 0.0178 0.0160 -0.0205 40 TYR H CB 10880 C CG . TYR H 32 ? 0.1701 0.2572 0.1334 0.0270 0.0202 -0.0135 40 TYR H CG 10881 C CD1 . TYR H 32 ? 0.2034 0.2872 0.1774 0.0248 0.0227 -0.0121 40 TYR H CD1 10882 C CD2 . TYR H 32 ? 0.1768 0.2681 0.1403 0.0376 0.0228 -0.0090 40 TYR H CD2 10883 C CE1 . TYR H 32 ? 0.2222 0.3033 0.2070 0.0331 0.0280 -0.0056 40 TYR H CE1 10884 C CE2 . TYR H 32 ? 0.1892 0.2792 0.1633 0.0477 0.0279 -0.0015 40 TYR H CE2 10885 C CZ . TYR H 32 ? 0.2827 0.3658 0.2676 0.0454 0.0308 0.0004 40 TYR H CZ 10886 O OH . TYR H 32 ? 0.2906 0.3712 0.2870 0.0553 0.0372 0.0078 40 TYR H OH 10887 N N . TRP H 33 ? 0.1757 0.2598 0.1020 0.0022 0.0100 -0.0291 41 TRP H N 10888 C CA . TRP H 33 ? 0.1703 0.2556 0.0909 -0.0052 0.0090 -0.0353 41 TRP H CA 10889 C C . TRP H 33 ? 0.2189 0.3114 0.1390 -0.0062 0.0092 -0.0415 41 TRP H C 10890 O O . TRP H 33 ? 0.2126 0.3095 0.1308 -0.0023 0.0105 -0.0417 41 TRP H O 10891 C CB . TRP H 33 ? 0.1610 0.2382 0.0702 -0.0077 0.0112 -0.0340 41 TRP H CB 10892 C CG . TRP H 33 ? 0.1762 0.2513 0.0850 -0.0061 0.0118 -0.0267 41 TRP H CG 10893 C CD1 . TRP H 33 ? 0.2166 0.2873 0.1243 -0.0004 0.0136 -0.0181 41 TRP H CD1 10894 C CD2 . TRP H 33 ? 0.1739 0.2551 0.0830 -0.0093 0.0109 -0.0265 41 TRP H CD2 10895 N NE1 . TRP H 33 ? 0.2138 0.2894 0.1212 0.0003 0.0140 -0.0119 41 TRP H NE1 10896 C CE2 . TRP H 33 ? 0.2318 0.3151 0.1401 -0.0051 0.0124 -0.0172 41 TRP H CE2 10897 C CE3 . TRP H 33 ? 0.1881 0.2755 0.0980 -0.0147 0.0091 -0.0327 41 TRP H CE3 10898 C CZ2 . TRP H 33 ? 0.2233 0.3182 0.1315 -0.0058 0.0123 -0.0141 41 TRP H CZ2 10899 C CZ3 . TRP H 33 ? 0.2073 0.3037 0.1172 -0.0156 0.0087 -0.0302 41 TRP H CZ3 10900 C CH2 . TRP H 33 ? 0.2179 0.3199 0.1272 -0.0110 0.0103 -0.0211 41 TRP H CH2 10901 N N . TYR H 34 ? 0.1716 0.2682 0.0937 -0.0107 0.0081 -0.0460 42 TYR H N 10902 C CA . TYR H 34 ? 0.1648 0.2703 0.0861 -0.0116 0.0085 -0.0508 42 TYR H CA 10903 C C . TYR H 34 ? 0.2261 0.3310 0.1415 -0.0193 0.0069 -0.0561 42 TYR H C 10904 O O . TYR H 34 ? 0.2173 0.3177 0.1331 -0.0225 0.0056 -0.0558 42 TYR H O 10905 C CB . TYR H 34 ? 0.1724 0.2822 0.1033 -0.0072 0.0111 -0.0493 42 TYR H CB 10906 C CG . TYR H 34 ? 0.1882 0.2999 0.1261 0.0024 0.0150 -0.0433 42 TYR H CG 10907 C CD1 . TYR H 34 ? 0.2086 0.3122 0.1536 0.0046 0.0162 -0.0391 42 TYR H CD1 10908 C CD2 . TYR H 34 ? 0.1938 0.3182 0.1320 0.0100 0.0183 -0.0414 42 TYR H CD2 10909 C CE1 . TYR H 34 ? 0.1993 0.3037 0.1517 0.0143 0.0208 -0.0329 42 TYR H CE1 10910 C CE2 . TYR H 34 ? 0.2026 0.3303 0.1479 0.0209 0.0231 -0.0345 42 TYR H CE2 10911 C CZ . TYR H 34 ? 0.2773 0.3931 0.2300 0.0231 0.0246 -0.0303 42 TYR H CZ 10912 O OH . TYR H 34 ? 0.2838 0.4015 0.2443 0.0345 0.0302 -0.0229 42 TYR H OH 10913 N N . GLN H 35 ? 0.1874 0.2998 0.0976 -0.0220 0.0072 -0.0608 43 GLN H N 10914 C CA . GLN H 35 ? 0.1853 0.2980 0.0905 -0.0289 0.0064 -0.0658 43 GLN H CA 10915 C C . GLN H 35 ? 0.2491 0.3733 0.1570 -0.0280 0.0059 -0.0675 43 GLN H C 10916 O O . GLN H 35 ? 0.2321 0.3691 0.1409 -0.0238 0.0073 -0.0670 43 GLN H O 10917 C CB . GLN H 35 ? 0.2073 0.3184 0.1038 -0.0346 0.0090 -0.0707 43 GLN H CB 10918 C CG . GLN H 35 ? 0.3182 0.4285 0.2102 -0.0418 0.0098 -0.0759 43 GLN H CG 10919 C CD . GLN H 35 ? 0.5016 0.6150 0.3868 -0.0490 0.0138 -0.0834 43 GLN H CD 10920 O OE1 . GLN H 35 ? 0.4739 0.6040 0.3589 -0.0498 0.0130 -0.0876 43 GLN H OE1 10921 N NE2 . GLN H 35 ? 0.3622 0.4613 0.2417 -0.0542 0.0195 -0.0855 43 GLN H NE2 10922 N N . GLN H 36 ? 0.2349 0.3564 0.1439 -0.0308 0.0046 -0.0687 44 GLN H N 10923 C CA . GLN H 36 ? 0.2421 0.3719 0.1522 -0.0299 0.0051 -0.0696 44 GLN H CA 10924 C C . GLN H 36 ? 0.3383 0.4702 0.2423 -0.0364 0.0033 -0.0741 44 GLN H C 10925 O O . GLN H 36 ? 0.3502 0.4746 0.2534 -0.0398 0.0019 -0.0752 44 GLN H O 10926 C CB . GLN H 36 ? 0.2546 0.3788 0.1713 -0.0277 0.0066 -0.0678 44 GLN H CB 10927 C CG . GLN H 36 ? 0.2617 0.3926 0.1795 -0.0240 0.0105 -0.0666 44 GLN H CG 10928 C CD . GLN H 36 ? 0.3565 0.4784 0.2801 -0.0235 0.0146 -0.0666 44 GLN H CD 10929 O OE1 . GLN H 36 ? 0.3261 0.4414 0.2509 -0.0293 0.0120 -0.0704 44 GLN H OE1 10930 N NE2 . GLN H 36 ? 0.1636 0.2865 0.0909 -0.0166 0.0227 -0.0626 44 GLN H NE2 10931 N N . SER H 37 ? 0.3208 0.4657 0.2210 -0.0379 0.0040 -0.0767 45 SER H N 10932 C CA . SER H 37 ? 0.3315 0.4813 0.2266 -0.0445 0.0034 -0.0815 45 SER H CA 10933 C C . SER H 37 ? 0.4010 0.5656 0.2965 -0.0414 0.0034 -0.0798 45 SER H C 10934 O O . SER H 37 ? 0.3811 0.5546 0.2798 -0.0336 0.0057 -0.0749 45 SER H O 10935 C CB . SER H 37 ? 0.3776 0.5336 0.2678 -0.0508 0.0053 -0.0875 45 SER H CB 10936 O OG . SER H 37 ? 0.4687 0.6448 0.3594 -0.0472 0.0059 -0.0874 45 SER H OG 10937 N N . LEU H 38 ? 0.3949 0.5622 0.2871 -0.0463 0.0023 -0.0826 46 LEU H N 10938 C CA . LEU H 38 ? 0.4048 0.5868 0.2960 -0.0432 0.0028 -0.0800 46 LEU H CA 10939 C C . LEU H 38 ? 0.4557 0.6642 0.3448 -0.0426 0.0042 -0.0809 46 LEU H C 10940 O O . LEU H 38 ? 0.4570 0.6822 0.3463 -0.0351 0.0065 -0.0750 46 LEU H O 10941 C CB . LEU H 38 ? 0.4126 0.5905 0.3009 -0.0485 0.0009 -0.0825 46 LEU H CB 10942 C CG . LEU H 38 ? 0.4875 0.6461 0.3777 -0.0481 -0.0006 -0.0815 46 LEU H CG 10943 C CD1 . LEU H 38 ? 0.4948 0.6486 0.3822 -0.0538 -0.0017 -0.0848 46 LEU H CD1 10944 C CD2 . LEU H 38 ? 0.5318 0.6885 0.4240 -0.0418 0.0005 -0.0770 46 LEU H CD2 10945 N N . ASP H 39 ? 0.4049 0.6182 0.2917 -0.0499 0.0042 -0.0879 47 ASP H N 10946 C CA . ASP H 39 ? 0.4041 0.6469 0.2885 -0.0519 0.0053 -0.0917 47 ASP H CA 10947 C C . ASP H 39 ? 0.4478 0.7041 0.3349 -0.0422 0.0071 -0.0868 47 ASP H C 10948 O O . ASP H 39 ? 0.4482 0.7344 0.3352 -0.0355 0.0088 -0.0828 47 ASP H O 10949 C CB . ASP H 39 ? 0.4357 0.6767 0.3163 -0.0659 0.0064 -0.1037 47 ASP H CB 10950 N N . GLN H 40 ? 0.3898 0.6270 0.2793 -0.0405 0.0073 -0.0862 48 GLN H N 10951 C CA . GLN H 40 ? 0.3776 0.6257 0.2701 -0.0313 0.0092 -0.0817 48 GLN H CA 10952 C C . GLN H 40 ? 0.3938 0.6281 0.2930 -0.0188 0.0117 -0.0710 48 GLN H C 10953 O O . GLN H 40 ? 0.3843 0.6269 0.2871 -0.0092 0.0148 -0.0656 48 GLN H O 10954 C CB . GLN H 40 ? 0.4017 0.6391 0.2919 -0.0379 0.0089 -0.0884 48 GLN H CB 10955 C CG . GLN H 40 ? 0.7100 0.9677 0.5943 -0.0491 0.0097 -0.1001 48 GLN H CG 10956 C CD . GLN H 40 ? 1.0847 1.3229 0.9655 -0.0571 0.0118 -0.1072 48 GLN H CD 10957 O OE1 . GLN H 40 ? 1.0625 1.2734 0.9411 -0.0640 0.0134 -0.1097 48 GLN H OE1 10958 N NE2 . GLN H 40 ? 1.0205 1.2732 0.9001 -0.0552 0.0131 -0.1097 48 GLN H NE2 10959 N N . GLY H 41 ? 0.3269 0.5410 0.2279 -0.0195 0.0114 -0.0688 49 GLY H N 10960 C CA . GLY H 41 ? 0.3121 0.5104 0.2196 -0.0112 0.0151 -0.0617 49 GLY H CA 10961 C C . GLY H 41 ? 0.3366 0.5169 0.2474 -0.0123 0.0137 -0.0624 49 GLY H C 10962 O O . GLY H 41 ? 0.3492 0.5208 0.2564 -0.0206 0.0097 -0.0680 49 GLY H O 10963 N N . LEU H 42 ? 0.2491 0.4242 0.1668 -0.0034 0.0185 -0.0560 50 LEU H N 10964 C CA . LEU H 42 ? 0.2236 0.3833 0.1455 -0.0033 0.0177 -0.0552 50 LEU H CA 10965 C C . LEU H 42 ? 0.2489 0.4202 0.1698 0.0012 0.0175 -0.0539 50 LEU H C 10966 O O . LEU H 42 ? 0.2478 0.4363 0.1712 0.0112 0.0222 -0.0487 50 LEU H O 10967 C CB . LEU H 42 ? 0.2197 0.3683 0.1505 0.0031 0.0244 -0.0499 50 LEU H CB 10968 C CG . LEU H 42 ? 0.2678 0.3983 0.2044 -0.0001 0.0238 -0.0506 50 LEU H CG 10969 C CD1 . LEU H 42 ? 0.2596 0.3826 0.1911 -0.0103 0.0159 -0.0562 50 LEU H CD1 10970 C CD2 . LEU H 42 ? 0.2950 0.4152 0.2386 0.0008 0.0313 -0.0500 50 LEU H CD2 10971 N N . GLN H 43 ? 0.1873 0.3507 0.1036 -0.0058 0.0132 -0.0585 51 GLN H N 10972 C CA . GLN H 43 ? 0.1739 0.3459 0.0872 -0.0041 0.0131 -0.0595 51 GLN H CA 10973 C C . GLN H 43 ? 0.2044 0.3573 0.1186 -0.0041 0.0122 -0.0572 51 GLN H C 10974 O O . GLN H 43 ? 0.2051 0.3412 0.1170 -0.0107 0.0104 -0.0588 51 GLN H O 10975 C CB . GLN H 43 ? 0.1910 0.3732 0.0951 -0.0143 0.0113 -0.0690 51 GLN H CB 10976 C CG . GLN H 43 ? 0.3290 0.5364 0.2310 -0.0153 0.0116 -0.0719 51 GLN H CG 10977 C CD . GLN H 43 ? 0.5334 0.7701 0.4380 -0.0042 0.0145 -0.0673 51 GLN H CD 10978 O OE1 . GLN H 43 ? 0.4673 0.7136 0.3713 -0.0010 0.0151 -0.0679 51 GLN H OE1 10979 N NE2 . GLN H 43 ? 0.4427 0.6959 0.3498 0.0027 0.0172 -0.0619 51 GLN H NE2 10980 N N . PHE H 44 ? 0.1482 0.3064 0.0652 0.0042 0.0140 -0.0528 52 PHE H N 10981 C CA . PHE H 44 ? 0.1417 0.2841 0.0594 0.0060 0.0137 -0.0490 52 PHE H CA 10982 C C . PHE H 44 ? 0.1951 0.3294 0.1025 -0.0025 0.0129 -0.0548 52 PHE H C 10983 O O . PHE H 44 ? 0.1972 0.3441 0.0981 -0.0069 0.0137 -0.0619 52 PHE H O 10984 C CB . PHE H 44 ? 0.1583 0.3102 0.0819 0.0186 0.0165 -0.0421 52 PHE H CB 10985 C CG . PHE H 44 ? 0.1742 0.3116 0.0983 0.0215 0.0162 -0.0374 52 PHE H CG 10986 C CD1 . PHE H 44 ? 0.2035 0.3248 0.1345 0.0228 0.0163 -0.0318 52 PHE H CD1 10987 C CD2 . PHE H 44 ? 0.2037 0.3453 0.1212 0.0227 0.0162 -0.0390 52 PHE H CD2 10988 C CE1 . PHE H 44 ? 0.2168 0.3271 0.1480 0.0262 0.0160 -0.0262 52 PHE H CE1 10989 C CE2 . PHE H 44 ? 0.2430 0.3705 0.1602 0.0266 0.0165 -0.0332 52 PHE H CE2 10990 C CZ . PHE H 44 ? 0.2172 0.3298 0.1416 0.0291 0.0163 -0.0260 52 PHE H CZ 10991 N N . LEU H 45 ? 0.1444 0.2590 0.0512 -0.0045 0.0127 -0.0514 53 LEU H N 10992 C CA . LEU H 45 ? 0.1403 0.2431 0.0518 -0.0111 0.0137 -0.0508 53 LEU H CA 10993 C C . LEU H 45 ? 0.1750 0.2698 0.0695 -0.0040 0.0172 -0.0487 53 LEU H C 10994 O O . LEU H 45 ? 0.1697 0.2686 0.0580 -0.0049 0.0197 -0.0530 53 LEU H O 10995 C CB . LEU H 45 ? 0.1396 0.2277 0.0516 -0.0166 0.0143 -0.0489 53 LEU H CB 10996 C CG . LEU H 45 ? 0.1892 0.2815 0.0817 -0.0229 0.0149 -0.0596 53 LEU H CG 10997 C CD1 . LEU H 45 ? 0.1852 0.2659 0.0762 -0.0253 0.0159 -0.0565 53 LEU H CD1 10998 C CD2 . LEU H 45 ? 0.2226 0.3219 0.1080 -0.0308 0.0177 -0.0697 53 LEU H CD2 10999 N N . ILE H 46 ? 0.1221 0.2095 0.0468 0.0015 0.0122 -0.0346 54 ILE H N 11000 C CA . ILE H 46 ? 0.1208 0.1989 0.0452 0.0080 0.0130 -0.0275 54 ILE H CA 11001 C C . ILE H 46 ? 0.1725 0.2494 0.0835 0.0159 0.0153 -0.0228 54 ILE H C 11002 O O . ILE H 46 ? 0.1656 0.2445 0.0831 0.0134 0.0134 -0.0230 54 ILE H O 11003 C CB . ILE H 46 ? 0.1649 0.2258 0.0529 0.0045 0.0224 -0.0311 54 ILE H CB 11004 C CG1 . ILE H 46 ? 0.1701 0.2237 0.0533 0.0105 0.0257 -0.0263 54 ILE H CG1 11005 C CG2 . ILE H 46 ? 0.1615 0.2146 0.0507 0.0039 0.0224 -0.0246 54 ILE H CG2 11006 C CD1 . ILE H 46 ? 0.2125 0.2474 0.0823 0.0067 0.0340 -0.0260 54 ILE H CD1 11007 N N . GLN H 47 ? 0.1414 0.2157 0.0544 0.0242 0.0162 -0.0157 55 GLN H N 11008 C CA . GLN H 47 ? 0.1301 0.2022 0.0534 0.0306 0.0154 -0.0067 55 GLN H CA 11009 C C . GLN H 47 ? 0.1949 0.2556 0.1126 0.0344 0.0168 0.0022 55 GLN H C 11010 O O . GLN H 47 ? 0.1907 0.2457 0.0993 0.0367 0.0192 0.0028 55 GLN H O 11011 C CB . GLN H 47 ? 0.1332 0.2146 0.0675 0.0398 0.0165 -0.0042 55 GLN H CB 11012 C CG . GLN H 47 ? 0.1109 0.1890 0.0572 0.0459 0.0176 0.0042 55 GLN H CG 11013 C CD . GLN H 47 ? 0.2964 0.3807 0.2517 0.0581 0.0211 0.0094 55 GLN H CD 11014 O OE1 . GLN H 47 ? 0.2488 0.3423 0.2003 0.0632 0.0220 0.0078 55 GLN H OE1 11015 N NE2 . GLN H 47 ? 0.2217 0.3031 0.1896 0.0628 0.0241 0.0154 55 GLN H NE2 11016 N N . TYR H 48 ? 0.1669 0.2264 0.0900 0.0346 0.0158 0.0085 56 TYR H N 11017 C CA . TYR H 48 ? 0.1674 0.2206 0.0879 0.0400 0.0171 0.0195 56 TYR H CA 11018 C C . TYR H 48 ? 0.1863 0.2449 0.1210 0.0451 0.0157 0.0260 56 TYR H C 11019 O O . TYR H 48 ? 0.1640 0.2302 0.1094 0.0408 0.0145 0.0223 56 TYR H O 11020 C CB . TYR H 48 ? 0.2067 0.2565 0.1179 0.0358 0.0189 0.0228 56 TYR H CB 11021 C CG . TYR H 48 ? 0.2591 0.2952 0.1543 0.0355 0.0249 0.0226 56 TYR H CG 11022 C CD1 . TYR H 48 ? 0.2881 0.3219 0.1776 0.0287 0.0264 0.0114 56 TYR H CD1 11023 C CD2 . TYR H 48 ? 0.2875 0.3127 0.1733 0.0416 0.0304 0.0332 56 TYR H CD2 11024 C CE1 . TYR H 48 ? 0.3170 0.3372 0.1926 0.0265 0.0338 0.0090 56 TYR H CE1 11025 C CE2 . TYR H 48 ? 0.3193 0.3286 0.1902 0.0406 0.0388 0.0320 56 TYR H CE2 11026 C CZ . TYR H 48 ? 0.4501 0.4567 0.3164 0.0322 0.0407 0.0190 56 TYR H CZ 11027 O OH . TYR H 48 ? 0.5235 0.5134 0.3757 0.0294 0.0509 0.0160 56 TYR H OH 11028 N N . TYR H 49 ? 0.1516 0.2053 0.0860 0.0542 0.0170 0.0351 57 TYR H N 11029 C CA . TYR H 49 ? 0.1376 0.1950 0.0847 0.0592 0.0168 0.0430 57 TYR H CA 11030 C C . TYR H 49 ? 0.2065 0.2596 0.1470 0.0647 0.0176 0.0554 57 TYR H C 11031 O O . TYR H 49 ? 0.2100 0.2530 0.1393 0.0707 0.0197 0.0602 57 TYR H O 11032 C CB . TYR H 49 ? 0.1366 0.1952 0.0952 0.0675 0.0187 0.0433 57 TYR H CB 11033 C CG . TYR H 49 ? 0.1334 0.1931 0.1060 0.0740 0.0206 0.0517 57 TYR H CG 11034 C CD1 . TYR H 49 ? 0.1473 0.2128 0.1340 0.0677 0.0221 0.0487 57 TYR H CD1 11035 C CD2 . TYR H 49 ? 0.1345 0.1895 0.1067 0.0859 0.0218 0.0615 57 TYR H CD2 11036 C CE1 . TYR H 49 ? 0.1556 0.2216 0.1560 0.0724 0.0254 0.0552 57 TYR H CE1 11037 C CE2 . TYR H 49 ? 0.1348 0.1904 0.1204 0.0924 0.0243 0.0694 57 TYR H CE2 11038 C CZ . TYR H 49 ? 0.2097 0.2705 0.2098 0.0854 0.0264 0.0662 57 TYR H CZ 11039 O OH . TYR H 49 ? 0.1711 0.2318 0.1848 0.0910 0.0301 0.0735 57 TYR H OH 11040 N N . ASN H 50 ? 0.1738 0.2364 0.1209 0.0618 0.0164 0.0599 58 ASN H N 11041 C CA . ASN H 50 ? 0.1776 0.2415 0.1202 0.0675 0.0174 0.0736 58 ASN H CA 11042 C C . ASN H 50 ? 0.2578 0.3110 0.1808 0.0709 0.0212 0.0800 58 ASN H C 11043 O O . ASN H 50 ? 0.2762 0.3206 0.1916 0.0798 0.0243 0.0911 58 ASN H O 11044 C CB . ASN H 50 ? 0.1550 0.2155 0.1061 0.0773 0.0180 0.0822 58 ASN H CB 11045 C CG . ASN H 50 ? 0.4474 0.5208 0.4172 0.0735 0.0172 0.0812 58 ASN H CG 11046 O OD1 . ASN H 50 ? 0.3946 0.4828 0.3680 0.0649 0.0158 0.0788 58 ASN H OD1 11047 N ND2 . ASN H 50 ? 0.3623 0.4313 0.3440 0.0800 0.0192 0.0829 58 ASN H ND2 11048 N N . GLY H 51 ? 0.2072 0.2597 0.1222 0.0640 0.0224 0.0727 63 GLY H N 11049 C CA . GLY H 51 ? 0.2282 0.2675 0.1252 0.0661 0.0291 0.0768 63 GLY H CA 11050 C C . GLY H 51 ? 0.3169 0.3372 0.2032 0.0671 0.0334 0.0711 63 GLY H C 11051 O O . GLY H 51 ? 0.3248 0.3315 0.1963 0.0682 0.0415 0.0744 63 GLY H O 11052 N N . GLU H 52 ? 0.2765 0.2973 0.1701 0.0668 0.0295 0.0626 64 GLU H N 11053 C CA . GLU H 52 ? 0.2773 0.2868 0.1611 0.0663 0.0331 0.0550 64 GLU H CA 11054 C C . GLU H 52 ? 0.2724 0.2910 0.1622 0.0594 0.0293 0.0402 64 GLU H C 11055 O O . GLU H 52 ? 0.2409 0.2716 0.1440 0.0589 0.0242 0.0376 64 GLU H O 11056 C CB . GLU H 52 ? 0.3049 0.3077 0.1867 0.0764 0.0345 0.0615 64 GLU H CB 11057 C CG . GLU H 52 ? 0.5032 0.5046 0.3877 0.0860 0.0346 0.0778 64 GLU H CG 11058 C CD . GLU H 52 ? 0.9238 0.9109 0.7976 0.0954 0.0397 0.0858 64 GLU H CD 11059 O OE1 . GLU H 52 ? 0.9641 0.9450 0.8327 0.1023 0.0433 0.1003 64 GLU H OE1 11060 O OE2 . GLU H 52 ? 0.9079 0.8922 0.7783 0.0964 0.0405 0.0780 64 GLU H OE2 11061 N N . GLU H 53 ? 0.2268 0.2391 0.1056 0.0539 0.0334 0.0308 65 GLU H N 11062 C CA . GLU H 53 ? 0.2103 0.2337 0.0924 0.0472 0.0306 0.0171 65 GLU H CA 11063 C C . GLU H 53 ? 0.2602 0.2972 0.1515 0.0543 0.0269 0.0156 65 GLU H C 11064 O O . GLU H 53 ? 0.2432 0.2780 0.1311 0.0613 0.0286 0.0190 65 GLU H O 11065 C CB . GLU H 53 ? 0.2342 0.2483 0.1017 0.0384 0.0374 0.0070 65 GLU H CB 11066 C CG . GLU H 53 ? 0.3584 0.3867 0.2276 0.0306 0.0351 -0.0076 65 GLU H CG 11067 C CD . GLU H 53 ? 0.6435 0.6639 0.4985 0.0212 0.0431 -0.0191 65 GLU H CD 11068 O OE1 . GLU H 53 ? 0.5644 0.5667 0.4099 0.0157 0.0510 -0.0188 65 GLU H OE1 11069 O OE2 . GLU H 53 ? 0.5577 0.5913 0.4113 0.0192 0.0426 -0.0287 65 GLU H OE2 11070 N N . ARG H 54 ? 0.2120 0.2639 0.1147 0.0534 0.0228 0.0109 66 ARG H N 11071 C CA . ARG H 54 ? 0.1998 0.2673 0.1121 0.0619 0.0215 0.0109 66 ARG H CA 11072 C C . ARG H 54 ? 0.2400 0.3235 0.1496 0.0565 0.0213 -0.0011 66 ARG H C 11073 O O . ARG H 54 ? 0.2360 0.3197 0.1340 0.0506 0.0232 -0.0090 66 ARG H O 11074 C CB . ARG H 54 ? 0.1934 0.2645 0.1218 0.0668 0.0201 0.0173 66 ARG H CB 11075 C CG . ARG H 54 ? 0.2550 0.3164 0.1886 0.0730 0.0203 0.0291 66 ARG H CG 11076 C CD . ARG H 54 ? 0.2377 0.3024 0.1764 0.0868 0.0220 0.0369 66 ARG H CD 11077 N NE . ARG H 54 ? 0.3045 0.3582 0.2324 0.0906 0.0227 0.0431 66 ARG H NE 11078 C CZ . ARG H 54 ? 0.4546 0.5084 0.3711 0.0926 0.0243 0.0398 66 ARG H CZ 11079 N NH1 . ARG H 54 ? 0.2517 0.2921 0.1583 0.0956 0.0265 0.0461 66 ARG H NH1 11080 N NH2 . ARG H 54 ? 0.3953 0.4637 0.3100 0.0913 0.0244 0.0301 66 ARG H NH2 11081 N N . ALA H 55 ? 0.1972 0.2944 0.1172 0.0580 0.0201 -0.0027 67 ALA H N 11082 C CA . ALA H 55 ? 0.2028 0.3182 0.1202 0.0534 0.0200 -0.0127 67 ALA H CA 11083 C C . ALA H 55 ? 0.2787 0.3871 0.1855 0.0383 0.0195 -0.0230 67 ALA H C 11084 O O . ALA H 55 ? 0.2836 0.3761 0.1891 0.0325 0.0190 -0.0215 67 ALA H O 11085 C CB . ALA H 55 ? 0.2007 0.3297 0.1308 0.0596 0.0209 -0.0100 67 ALA H CB 11086 N N . LYS H 56 ? 0.2347 0.3572 0.1340 0.0326 0.0204 -0.0333 68 LYS H N 11087 C CA . LYS H 56 ? 0.2366 0.3542 0.1265 0.0183 0.0216 -0.0440 68 LYS H CA 11088 C C . LYS H 56 ? 0.2911 0.4341 0.1814 0.0137 0.0205 -0.0535 68 LYS H C 11089 O O . LYS H 56 ? 0.2767 0.4438 0.1671 0.0179 0.0207 -0.0567 68 LYS H O 11090 C CB . LYS H 56 ? 0.2737 0.3784 0.1507 0.0120 0.0267 -0.0495 68 LYS H CB 11091 C CG . LYS H 56 ? 0.3875 0.4763 0.2548 -0.0018 0.0314 -0.0576 68 LYS H CG 11092 C CD . LYS H 56 ? 0.5175 0.5993 0.3723 -0.0089 0.0391 -0.0665 68 LYS H CD 11093 C CE . LYS H 56 ? 0.6557 0.7069 0.5007 -0.0156 0.0481 -0.0656 68 LYS H CE 11094 N NZ . LYS H 56 ? 0.7656 0.8087 0.5978 -0.0249 0.0585 -0.0772 68 LYS H NZ 11095 N N . GLY H 57 ? 0.2728 0.4121 0.1626 0.0050 0.0196 -0.0579 69 GLY H N 11096 C CA . GLY H 57 ? 0.2798 0.4421 0.1696 0.0000 0.0186 -0.0659 69 GLY H CA 11097 C C . GLY H 57 ? 0.3762 0.5441 0.2553 -0.0141 0.0217 -0.0802 69 GLY H C 11098 O O . GLY H 57 ? 0.3729 0.5292 0.2441 -0.0188 0.0258 -0.0846 69 GLY H O 11099 N N . ASN H 58 ? 0.3779 0.5629 0.2565 -0.0213 0.0207 -0.0877 70 ASN H N 11100 C CA . ASN H 58 ? 0.4062 0.5978 0.2756 -0.0369 0.0247 -0.1031 70 ASN H CA 11101 C C . ASN H 58 ? 0.4819 0.6408 0.3462 -0.0474 0.0289 -0.1056 70 ASN H C 11102 O O . ASN H 58 ? 0.4837 0.6456 0.3453 -0.0584 0.0309 -0.1143 70 ASN H O 11103 C CB . ASN H 58 ? 0.4468 0.6757 0.3180 -0.0400 0.0222 -0.1098 70 ASN H CB 11104 C CG . ASN H 58 ? 0.8856 1.1352 0.7488 -0.0541 0.0263 -0.1269 70 ASN H CG 11105 O OD1 . ASN H 58 ? 0.8698 1.1083 0.7271 -0.0699 0.0309 -0.1383 70 ASN H OD1 11106 N ND2 . ASN H 58 ? 0.7919 1.0723 0.6548 -0.0491 0.0258 -0.1295 70 ASN H ND2 11107 N N . ILE H 59 ? 0.4521 0.5820 0.3155 -0.0424 0.0311 -0.0966 71 ILE H N 11108 C CA . ILE H 59 ? 0.4610 0.5606 0.3198 -0.0472 0.0367 -0.0943 71 ILE H CA 11109 C C . ILE H 59 ? 0.5395 0.6266 0.3869 -0.0605 0.0482 -0.1066 71 ILE H C 11110 O O . ILE H 59 ? 0.5347 0.6308 0.3773 -0.0643 0.0514 -0.1149 71 ILE H O 11111 C CB . ILE H 59 ? 0.4969 0.5777 0.3583 -0.0356 0.0357 -0.0796 71 ILE H CB 11112 C CG1 . ILE H 59 ? 0.5053 0.5651 0.3656 -0.0362 0.0387 -0.0731 71 ILE H CG1 11113 C CG2 . ILE H 59 ? 0.5206 0.5916 0.3756 -0.0326 0.0408 -0.0782 71 ILE H CG2 11114 C CD1 . ILE H 59 ? 0.5594 0.6071 0.4228 -0.0255 0.0374 -0.0586 71 ILE H CD1 11115 N N . LEU H 60 ? 0.5196 0.5869 0.3631 -0.0677 0.0555 -0.1084 72 LEU H N 11116 C CA . LEU H 60 ? 0.5415 0.5915 0.3749 -0.0808 0.0701 -0.1198 72 LEU H CA 11117 C C . LEU H 60 ? 0.5899 0.6071 0.4158 -0.0760 0.0815 -0.1110 72 LEU H C 11118 O O . LEU H 60 ? 0.5738 0.5825 0.4030 -0.0633 0.0774 -0.0953 72 LEU H O 11119 C CB . LEU H 60 ? 0.5500 0.5957 0.3838 -0.0898 0.0744 -0.1252 72 LEU H CB 11120 C CG . LEU H 60 ? 0.6002 0.6772 0.4396 -0.0963 0.0657 -0.1345 72 LEU H CG 11121 C CD1 . LEU H 60 ? 0.5984 0.6694 0.4410 -0.0980 0.0657 -0.1321 72 LEU H CD1 11122 C CD2 . LEU H 60 ? 0.6440 0.7376 0.4783 -0.1119 0.0718 -0.1536 72 LEU H CD2 11123 N N . GLU H 61 ? 0.5597 0.5593 0.3750 -0.0864 0.0972 -0.1213 74 GLU H N 11124 C CA . GLU H 61 ? 0.5646 0.5303 0.3705 -0.0822 0.1123 -0.1132 74 GLU H CA 11125 C C . GLU H 61 ? 0.5795 0.5250 0.3858 -0.0746 0.1184 -0.0989 74 GLU H C 11126 O O . GLU H 61 ? 0.5792 0.5081 0.3822 -0.0627 0.1230 -0.0833 74 GLU H O 11127 C CB . GLU H 61 ? 0.6108 0.5601 0.4052 -0.0976 0.1311 -0.1298 74 GLU H CB 11128 N N . ARG H 62 ? 0.4961 0.4476 0.3069 -0.0805 0.1175 -0.1034 75 ARG H N 11129 C CA . ARG H 62 ? 0.4814 0.4222 0.2944 -0.0735 0.1214 -0.0915 75 ARG H CA 11130 C C . ARG H 62 ? 0.4969 0.4496 0.3174 -0.0580 0.1068 -0.0746 75 ARG H C 11131 O O . ARG H 62 ? 0.4839 0.4291 0.3047 -0.0493 0.1110 -0.0618 75 ARG H O 11132 C CB . ARG H 62 ? 0.4620 0.4146 0.2803 -0.0827 0.1186 -0.1013 75 ARG H CB 11133 C CG . ARG H 62 ? 0.5430 0.4829 0.3553 -0.0992 0.1355 -0.1177 75 ARG H CG 11134 C CD . ARG H 62 ? 0.5456 0.4909 0.3631 -0.1043 0.1356 -0.1214 75 ARG H CD 11135 N NE . ARG H 62 ? 0.5351 0.5138 0.3610 -0.1081 0.1163 -0.1284 75 ARG H NE 11136 C CZ . ARG H 62 ? 0.6929 0.6865 0.5266 -0.0989 0.1019 -0.1190 75 ARG H CZ 11137 N NH1 . ARG H 62 ? 0.4970 0.5186 0.3369 -0.1020 0.0873 -0.1249 75 ARG H NH1 11138 N NH2 . ARG H 62 ? 0.5495 0.5318 0.3846 -0.0863 0.1029 -0.1035 75 ARG H NH2 11139 N N . PHE H 63 ? 0.4394 0.4133 0.2666 -0.0547 0.0905 -0.0751 76 PHE H N 11140 C CA . PHE H 63 ? 0.4166 0.4032 0.2523 -0.0427 0.0770 -0.0622 76 PHE H CA 11141 C C . PHE H 63 ? 0.4465 0.4268 0.2798 -0.0337 0.0772 -0.0527 76 PHE H C 11142 O O . PHE H 63 ? 0.4401 0.4211 0.2702 -0.0364 0.0777 -0.0592 76 PHE H O 11143 C CB . PHE H 63 ? 0.4222 0.4353 0.2682 -0.0444 0.0611 -0.0683 76 PHE H CB 11144 C CG . PHE H 63 ? 0.4387 0.4624 0.2890 -0.0506 0.0574 -0.0748 76 PHE H CG 11145 C CD1 . PHE H 63 ? 0.4928 0.5032 0.3382 -0.0561 0.0680 -0.0773 76 PHE H CD1 11146 C CD2 . PHE H 63 ? 0.4496 0.4954 0.3085 -0.0498 0.0449 -0.0773 76 PHE H CD2 11147 C CE1 . PHE H 63 ? 0.5043 0.5247 0.3538 -0.0611 0.0643 -0.0827 76 PHE H CE1 11148 C CE2 . PHE H 63 ? 0.4871 0.5420 0.3490 -0.0548 0.0418 -0.0824 76 PHE H CE2 11149 C CZ . PHE H 63 ? 0.4779 0.5207 0.3353 -0.0606 0.0506 -0.0851 76 PHE H CZ 11150 N N . SER H 64 ? 0.3851 0.3615 0.2196 -0.0229 0.0770 -0.0373 77 SER H N 11151 C CA . SER H 64 ? 0.3740 0.3455 0.2068 -0.0131 0.0771 -0.0257 77 SER H CA 11152 C C . SER H 64 ? 0.3981 0.3838 0.2400 -0.0039 0.0674 -0.0133 77 SER H C 11153 O O . SER H 64 ? 0.4001 0.3909 0.2440 -0.0027 0.0680 -0.0092 77 SER H O 11154 C CB . SER H 64 ? 0.4396 0.3851 0.2591 -0.0102 0.0956 -0.0188 77 SER H CB 11155 O OG . SER H 64 ? 0.5549 0.4952 0.3720 -0.0037 0.1039 -0.0067 77 SER H OG 11156 N N . ALA H 65 ? 0.3241 0.3175 0.1717 0.0024 0.0594 -0.0077 78 ALA H N 11157 C CA . ALA H 65 ? 0.2965 0.3044 0.1533 0.0091 0.0512 0.0021 78 ALA H CA 11158 C C . ALA H 65 ? 0.3394 0.3425 0.1936 0.0189 0.0539 0.0159 78 ALA H C 11159 O O . ALA H 65 ? 0.3386 0.3270 0.1848 0.0211 0.0603 0.0172 78 ALA H O 11160 C CB . ALA H 65 ? 0.2861 0.3113 0.1561 0.0065 0.0383 -0.0051 78 ALA H CB 11161 N N . GLN H 66 ? 0.2814 0.2987 0.1420 0.0244 0.0495 0.0259 79 GLN H N 11162 C CA . GLN H 66 ? 0.2711 0.2901 0.1311 0.0339 0.0507 0.0403 79 GLN H CA 11163 C C . GLN H 66 ? 0.2709 0.3122 0.1454 0.0342 0.0394 0.0417 79 GLN H C 11164 O O . GLN H 66 ? 0.2672 0.3228 0.1496 0.0281 0.0336 0.0344 79 GLN H O 11165 C CB . GLN H 66 ? 0.3041 0.3193 0.1533 0.0411 0.0628 0.0544 79 GLN H CB 11166 C CG . GLN H 66 ? 0.4796 0.4666 0.3127 0.0434 0.0791 0.0572 79 GLN H CG 11167 C CD . GLN H 66 ? 0.6594 0.6421 0.4819 0.0549 0.0933 0.0760 79 GLN H CD 11168 O OE1 . GLN H 66 ? 0.5271 0.5273 0.3513 0.0590 0.0947 0.0837 79 GLN H OE1 11169 N NE2 . GLN H 66 ? 0.5995 0.5602 0.4102 0.0612 0.1054 0.0845 79 GLN H NE2 11170 N N . GLN H 67 ? 0.1933 0.2372 0.0716 0.0406 0.0372 0.0504 80 GLN H N 11171 C CA . GLN H 67 ? 0.1628 0.2274 0.0552 0.0404 0.0291 0.0523 80 GLN H CA 11172 C C . GLN H 67 ? 0.2014 0.2720 0.0895 0.0492 0.0330 0.0688 80 GLN H C 11173 O O . GLN H 67 ? 0.1974 0.2541 0.0793 0.0567 0.0371 0.0774 80 GLN H O 11174 C CB . GLN H 67 ? 0.1658 0.2305 0.0704 0.0385 0.0225 0.0451 80 GLN H CB 11175 C CG . GLN H 67 ? 0.2080 0.2925 0.1277 0.0356 0.0169 0.0448 80 GLN H CG 11176 C CD . GLN H 67 ? 0.3342 0.4165 0.2668 0.0365 0.0141 0.0412 80 GLN H CD 11177 O OE1 . GLN H 67 ? 0.2577 0.3275 0.1881 0.0435 0.0156 0.0449 80 GLN H OE1 11178 N NE2 . GLN H 67 ? 0.2588 0.3537 0.2052 0.0300 0.0113 0.0345 80 GLN H NE2 11179 N N . PHE H 68 ? 0.1542 0.2489 0.0620 0.0495 0.0299 0.0684 81 PHE H N 11180 C CA . PHE H 68 ? 0.1564 0.2682 0.0685 0.0582 0.0329 0.0818 81 PHE H CA 11181 C C . PHE H 68 ? 0.2426 0.3650 0.1421 0.0577 0.0292 0.0931 81 PHE H C 11182 O O . PHE H 68 ? 0.2457 0.3690 0.1585 0.0500 0.0222 0.0809 81 PHE H O 11183 C CB . PHE H 68 ? 0.1706 0.3085 0.0689 0.0559 0.0348 0.0881 81 PHE H CB 11184 C CG . PHE H 68 ? 0.1883 0.3152 0.0738 0.0616 0.0453 0.0933 81 PHE H CG 11185 C CD1 . PHE H 68 ? 0.2200 0.3253 0.0895 0.0548 0.0495 0.0849 81 PHE H CD1 11186 C CD2 . PHE H 68 ? 0.2073 0.3466 0.0836 0.0736 0.0553 0.1113 81 PHE H CD2 11187 C CE1 . PHE H 68 ? 0.2408 0.3340 0.0977 0.0593 0.0620 0.0899 81 PHE H CE1 11188 C CE2 . PHE H 68 ? 0.2540 0.3803 0.1041 0.0791 0.0716 0.1220 81 PHE H CE2 11189 C CZ . PHE H 68 ? 0.2329 0.3351 0.0878 0.0724 0.0718 0.1062 81 PHE H CZ 11190 N N . PRO H 69 ? 0.2222 0.3546 0.1177 0.0671 0.0328 0.1100 83 PRO H N 11191 C CA . PRO H 69 ? 0.2205 0.3663 0.1286 0.0671 0.0270 0.1131 83 PRO H CA 11192 C C . PRO H 69 ? 0.2736 0.4493 0.1987 0.0549 0.0193 0.1013 83 PRO H C 11193 O O . PRO H 69 ? 0.2682 0.4448 0.2072 0.0505 0.0150 0.0956 83 PRO H O 11194 C CB . PRO H 69 ? 0.2485 0.4049 0.1467 0.0796 0.0335 0.1347 83 PRO H CB 11195 C CG . PRO H 69 ? 0.3161 0.4486 0.1953 0.0880 0.0447 0.1424 83 PRO H CG 11196 C CD . PRO H 69 ? 0.2547 0.3862 0.1340 0.0791 0.0439 0.1282 83 PRO H CD 11197 N N . ASP H 70 ? 0.2359 0.4353 0.1602 0.0494 0.0187 0.0968 84 ASP H N 11198 C CA . ASP H 70 ? 0.2288 0.4570 0.1679 0.0360 0.0124 0.0829 84 ASP H CA 11199 C C . ASP H 70 ? 0.2754 0.4836 0.2234 0.0255 0.0090 0.0638 84 ASP H C 11200 O O . ASP H 70 ? 0.2670 0.4917 0.2268 0.0134 0.0056 0.0499 84 ASP H O 11201 C CB . ASP H 70 ? 0.2553 0.5177 0.1898 0.0349 0.0132 0.0847 84 ASP H CB 11202 C CG . ASP H 70 ? 0.3965 0.6482 0.3220 0.0348 0.0157 0.0795 84 ASP H CG 11203 O OD1 . ASP H 70 ? 0.4119 0.6288 0.3339 0.0343 0.0166 0.0732 84 ASP H OD1 11204 O OD2 . ASP H 70 ? 0.4580 0.7388 0.3802 0.0356 0.0170 0.0820 84 ASP H OD2 11205 N N . LEU H 71 ? 0.2263 0.4005 0.1678 0.0306 0.0111 0.0634 85 LEU H N 11206 C CA . LEU H 71 ? 0.2103 0.3628 0.1570 0.0255 0.0096 0.0500 85 LEU H CA 11207 C C . LEU H 71 ? 0.2535 0.4051 0.1960 0.0190 0.0090 0.0392 85 LEU H C 11208 O O . LEU H 71 ? 0.2543 0.3898 0.1991 0.0158 0.0083 0.0293 85 LEU H O 11209 C CB . LEU H 71 ? 0.2008 0.3569 0.1654 0.0186 0.0077 0.0411 85 LEU H CB 11210 C CG . LEU H 71 ? 0.2492 0.4023 0.2194 0.0258 0.0089 0.0516 85 LEU H CG 11211 C CD1 . LEU H 71 ? 0.2468 0.4124 0.2355 0.0171 0.0090 0.0438 85 LEU H CD1 11212 C CD2 . LEU H 71 ? 0.2588 0.3839 0.2241 0.0360 0.0109 0.0564 85 LEU H CD2 11213 N N . HIS H 72 ? 0.1957 0.3647 0.1308 0.0192 0.0100 0.0429 86 HIS H N 11214 C CA . HIS H 72 ? 0.1849 0.3526 0.1152 0.0147 0.0101 0.0345 86 HIS H CA 11215 C C . HIS H 72 ? 0.2319 0.3706 0.1494 0.0205 0.0150 0.0372 86 HIS H C 11216 O O . HIS H 72 ? 0.2345 0.3609 0.1429 0.0293 0.0204 0.0489 86 HIS H O 11217 C CB . HIS H 72 ? 0.1921 0.3898 0.1192 0.0144 0.0107 0.0381 86 HIS H CB 11218 C CG . HIS H 72 ? 0.2450 0.4379 0.1569 0.0249 0.0184 0.0509 86 HIS H CG 11219 N ND1 . HIS H 72 ? 0.2722 0.4750 0.1767 0.0360 0.0243 0.0685 86 HIS H ND1 11220 C CD2 . HIS H 72 ? 0.2733 0.4530 0.1767 0.0260 0.0228 0.0487 86 HIS H CD2 11221 C CE1 . HIS H 72 ? 0.2737 0.4669 0.1653 0.0440 0.0336 0.0768 86 HIS H CE1 11222 N NE2 . HIS H 72 ? 0.2800 0.4585 0.1708 0.0378 0.0330 0.0648 86 HIS H NE2 11223 N N . SER H 73 ? 0.1878 0.3164 0.1051 0.0147 0.0138 0.0258 87 SER H N 11224 C CA . SER H 73 ? 0.1921 0.2970 0.0989 0.0170 0.0184 0.0248 87 SER H CA 11225 C C . SER H 73 ? 0.2565 0.3622 0.1549 0.0158 0.0226 0.0236 87 SER H C 11226 O O . SER H 73 ? 0.2457 0.3696 0.1484 0.0118 0.0195 0.0196 87 SER H O 11227 C CB . SER H 73 ? 0.2360 0.3295 0.1487 0.0123 0.0148 0.0134 87 SER H CB 11228 O OG . SER H 73 ? 0.3480 0.4234 0.2508 0.0131 0.0190 0.0110 87 SER H OG 11229 N N . GLU H 74 ? 0.2316 0.3170 0.1180 0.0193 0.0309 0.0269 88 GLU H N 11230 C CA . GLU H 74 ? 0.2378 0.3173 0.1156 0.0190 0.0383 0.0263 88 GLU H CA 11231 C C . GLU H 74 ? 0.3104 0.3679 0.1834 0.0133 0.0409 0.0158 88 GLU H C 11232 O O . GLU H 74 ? 0.3156 0.3572 0.1836 0.0150 0.0448 0.0168 88 GLU H O 11233 C CB . GLU H 74 ? 0.2695 0.3460 0.1362 0.0294 0.0507 0.0423 88 GLU H CB 11234 C CG . GLU H 74 ? 0.4049 0.5111 0.2752 0.0356 0.0490 0.0533 88 GLU H CG 11235 C CD . GLU H 74 ? 0.6728 0.7828 0.5322 0.0481 0.0628 0.0711 88 GLU H CD 11236 O OE1 . GLU H 74 ? 0.6660 0.7505 0.5140 0.0521 0.0765 0.0751 88 GLU H OE1 11237 O OE2 . GLU H 74 ? 0.5773 0.7174 0.4395 0.0540 0.0613 0.0811 88 GLU H OE2 11238 N N . LEU H 75 ? 0.2699 0.3297 0.1451 0.0062 0.0382 0.0051 89 LEU H N 11239 C CA . LEU H 75 ? 0.2690 0.3144 0.1404 -0.0004 0.0405 -0.0057 89 LEU H CA 11240 C C . LEU H 75 ? 0.3344 0.3688 0.1965 -0.0009 0.0521 -0.0046 89 LEU H C 11241 O O . LEU H 75 ? 0.3296 0.3741 0.1938 -0.0012 0.0515 -0.0045 89 LEU H O 11242 C CB . LEU H 75 ? 0.2571 0.3129 0.1376 -0.0074 0.0303 -0.0175 89 LEU H CB 11243 C CG . LEU H 75 ? 0.3219 0.3699 0.1988 -0.0144 0.0318 -0.0287 89 LEU H CG 11244 C CD1 . LEU H 75 ? 0.3297 0.3715 0.2047 -0.0136 0.0325 -0.0307 89 LEU H CD1 11245 C CD2 . LEU H 75 ? 0.3296 0.3900 0.2140 -0.0193 0.0240 -0.0371 89 LEU H CD2 11246 N N . ASN H 76 ? 0.3095 0.3229 0.1614 -0.0009 0.0640 -0.0040 90 ASN H N 11247 C CA . ASN H 76 ? 0.3291 0.3263 0.1716 -0.0013 0.0797 -0.0027 90 ASN H CA 11248 C C . ASN H 76 ? 0.3876 0.3749 0.2281 -0.0133 0.0823 -0.0185 90 ASN H C 11249 O O . ASN H 76 ? 0.3836 0.3622 0.2208 -0.0190 0.0836 -0.0267 90 ASN H O 11250 C CB . ASN H 76 ? 0.3689 0.3471 0.2005 0.0063 0.0951 0.0088 90 ASN H CB 11251 C CG . ASN H 76 ? 0.5990 0.5903 0.4312 0.0191 0.0955 0.0265 90 ASN H CG 11252 O OD1 . ASN H 76 ? 0.5699 0.5718 0.4021 0.0252 0.1002 0.0347 90 ASN H OD1 11253 N ND2 . ASN H 76 ? 0.3675 0.3617 0.2006 0.0238 0.0905 0.0328 90 ASN H ND2 11254 N N . LEU H 77 ? 0.3464 0.3380 0.1890 -0.0169 0.0831 -0.0228 91 LEU H N 11255 C CA . LEU H 77 ? 0.3518 0.3379 0.1933 -0.0286 0.0856 -0.0374 91 LEU H CA 11256 C C . LEU H 77 ? 0.4303 0.3960 0.2639 -0.0292 0.1055 -0.0355 91 LEU H C 11257 O O . LEU H 77 ? 0.4256 0.3950 0.2605 -0.0226 0.1095 -0.0273 91 LEU H O 11258 C CB . LEU H 77 ? 0.3323 0.3389 0.1832 -0.0325 0.0711 -0.0440 91 LEU H CB 11259 C CG . LEU H 77 ? 0.3660 0.3920 0.2261 -0.0294 0.0545 -0.0427 91 LEU H CG 11260 C CD1 . LEU H 77 ? 0.3559 0.3976 0.2233 -0.0314 0.0451 -0.0465 91 LEU H CD1 11261 C CD2 . LEU H 77 ? 0.3814 0.4099 0.2428 -0.0331 0.0490 -0.0497 91 LEU H CD2 11262 N N . SER H 78 ? 0.4078 0.3522 0.2330 -0.0365 0.1197 -0.0428 92 SER H N 11263 C CA . SER H 78 ? 0.4254 0.3450 0.2427 -0.0383 0.1430 -0.0423 92 SER H CA 11264 C C . SER H 78 ? 0.4724 0.3880 0.2902 -0.0544 0.1473 -0.0607 92 SER H C 11265 O O . SER H 78 ? 0.4454 0.3776 0.2676 -0.0643 0.1332 -0.0739 92 SER H O 11266 C CB . SER H 78 ? 0.4807 0.3751 0.2870 -0.0354 0.1606 -0.0372 92 SER H CB 11267 O OG . SER H 78 ? 0.5804 0.4698 0.3834 -0.0477 0.1596 -0.0524 92 SER H OG 11268 N N . SER H 79 ? 0.4604 0.3554 0.2739 -0.0563 0.1684 -0.0607 93 SER H N 11269 C CA . SER H 79 ? 0.4798 0.3680 0.2936 -0.0721 0.1771 -0.0774 93 SER H CA 11270 C C . SER H 79 ? 0.5091 0.4272 0.3328 -0.0780 0.1545 -0.0861 93 SER H C 11271 O O . SER H 79 ? 0.4981 0.4279 0.3232 -0.0919 0.1473 -0.1025 93 SER H O 11272 C CB . SER H 79 ? 0.5543 0.4261 0.3606 -0.0872 0.1897 -0.0935 93 SER H CB 11273 O OG . SER H 79 ? 0.7054 0.5479 0.5016 -0.0807 0.2110 -0.0843 93 SER H OG 11274 N N . LEU H 80 ? 0.4467 0.3794 0.2766 -0.0663 0.1436 -0.0742 94 LEU H N 11275 C CA . LEU H 80 ? 0.4240 0.3833 0.2626 -0.0682 0.1229 -0.0785 94 LEU H CA 11276 C C . LEU H 80 ? 0.4684 0.4301 0.3092 -0.0810 0.1257 -0.0920 94 LEU H C 11277 O O . LEU H 80 ? 0.4778 0.4214 0.3160 -0.0838 0.1437 -0.0930 94 LEU H O 11278 C CB . LEU H 80 ? 0.4135 0.3854 0.2571 -0.0538 0.1144 -0.0638 94 LEU H CB 11279 C CG . LEU H 80 ? 0.4630 0.4437 0.3074 -0.0430 0.1051 -0.0526 94 LEU H CG 11280 C CD1 . LEU H 80 ? 0.4576 0.4490 0.3048 -0.0296 0.1039 -0.0382 94 LEU H CD1 11281 C CD2 . LEU H 80 ? 0.4659 0.4653 0.3159 -0.0471 0.0855 -0.0593 94 LEU H CD2 11282 N N . GLU H 81 ? 0.4052 0.3899 0.2506 -0.0884 0.1089 -0.1018 95 GLU H N 11283 C CA . GLU H 81 ? 0.4003 0.3965 0.2486 -0.1005 0.1067 -0.1145 95 GLU H CA 11284 C C . GLU H 81 ? 0.4092 0.4266 0.2645 -0.0938 0.0894 -0.1090 95 GLU H C 11285 O O . GLU H 81 ? 0.3946 0.4196 0.2526 -0.0829 0.0783 -0.0991 95 GLU H O 11286 C CB . GLU H 81 ? 0.4214 0.4313 0.2679 -0.1140 0.1031 -0.1300 95 GLU H CB 11287 C CG . GLU H 81 ? 0.5961 0.5861 0.4352 -0.1248 0.1217 -0.1399 95 GLU H CG 11288 C CD . GLU H 81 ? 0.9281 0.9355 0.7649 -0.1350 0.1165 -0.1532 95 GLU H CD 11289 O OE1 . GLU H 81 ? 0.7558 0.7940 0.5968 -0.1399 0.1031 -0.1605 95 GLU H OE1 11290 O OE2 . GLU H 81 ? 0.9374 0.9291 0.7677 -0.1372 0.1269 -0.1559 95 GLU H OE2 11291 N N . LEU H 82 ? 0.3558 0.3830 0.2140 -0.1009 0.0875 -0.1160 96 LEU H N 11292 C CA . LEU H 82 ? 0.3325 0.3781 0.1963 -0.0951 0.0727 -0.1113 96 LEU H CA 11293 C C . LEU H 82 ? 0.3616 0.4290 0.2278 -0.0933 0.0566 -0.1120 96 LEU H C 11294 O O . LEU H 82 ? 0.3302 0.4071 0.2003 -0.0848 0.0456 -0.1048 96 LEU H O 11295 C CB . LEU H 82 ? 0.3356 0.3871 0.2013 -0.1036 0.0754 -0.1187 96 LEU H CB 11296 C CG . LEU H 82 ? 0.4090 0.4393 0.2739 -0.1047 0.0928 -0.1176 96 LEU H CG 11297 C CD1 . LEU H 82 ? 0.4151 0.4512 0.2814 -0.1186 0.0978 -0.1298 96 LEU H CD1 11298 C CD2 . LEU H 82 ? 0.4185 0.4463 0.2863 -0.0900 0.0907 -0.1037 96 LEU H CD2 11299 N N . GLY H 83 ? 0.3302 0.4051 0.1939 -0.1009 0.0570 -0.1208 97 GLY H N 11300 C CA . GLY H 83 ? 0.3142 0.4103 0.1801 -0.0981 0.0450 -0.1209 97 GLY H CA 11301 C C . GLY H 83 ? 0.3662 0.4565 0.2336 -0.0867 0.0399 -0.1108 97 GLY H C 11302 O O . GLY H 83 ? 0.3635 0.4692 0.2342 -0.0818 0.0308 -0.1085 97 GLY H O 11303 N N . ASP H 84 ? 0.3151 0.3843 0.1805 -0.0818 0.0471 -0.1039 98 ASP H N 11304 C CA . ASP H 84 ? 0.3007 0.3653 0.1676 -0.0715 0.0432 -0.0939 98 ASP H CA 11305 C C . ASP H 84 ? 0.3468 0.4179 0.2192 -0.0634 0.0348 -0.0860 98 ASP H C 11306 O O . ASP H 84 ? 0.3429 0.4148 0.2182 -0.0561 0.0304 -0.0789 98 ASP H O 11307 C CB . ASP H 84 ? 0.3326 0.3753 0.1939 -0.0692 0.0558 -0.0890 98 ASP H CB 11308 C CG . ASP H 84 ? 0.4108 0.4433 0.2657 -0.0779 0.0665 -0.0977 98 ASP H CG 11309 O OD1 . ASP H 84 ? 0.3824 0.4291 0.2377 -0.0831 0.0609 -0.1057 98 ASP H OD1 11310 O OD2 . ASP H 84 ? 0.5107 0.5218 0.3598 -0.0787 0.0815 -0.0961 98 ASP H OD2 11311 N N . SER H 85 ? 0.2970 0.3736 0.1710 -0.0654 0.0330 -0.0879 99 SER H N 11312 C CA . SER H 85 ? 0.2805 0.3646 0.1591 -0.0593 0.0255 -0.0826 99 SER H CA 11313 C C . SER H 85 ? 0.3428 0.4399 0.2259 -0.0574 0.0158 -0.0831 99 SER H C 11314 O O . SER H 85 ? 0.3492 0.4569 0.2325 -0.0609 0.0131 -0.0879 99 SER H O 11315 C CB . SER H 85 ? 0.3003 0.3863 0.1789 -0.0618 0.0268 -0.0847 99 SER H CB 11316 O OG . SER H 85 ? 0.4026 0.4748 0.2778 -0.0624 0.0386 -0.0833 99 SER H OG 11317 N N . ALA H 86 ? 0.2853 0.3826 0.1719 -0.0515 0.0123 -0.0777 100 ALA H N 11318 C CA . ALA H 86 ? 0.2684 0.3739 0.1600 -0.0488 0.0064 -0.0773 100 ALA H CA 11319 C C . ALA H 86 ? 0.3013 0.4061 0.1974 -0.0442 0.0042 -0.0725 100 ALA H C 11320 O O . ALA H 86 ? 0.2835 0.3854 0.1784 -0.0424 0.0062 -0.0688 100 ALA H O 11321 C CB . ALA H 86 ? 0.2769 0.3846 0.1676 -0.0493 0.0076 -0.0791 100 ALA H CB 11322 N N . LEU H 87 ? 0.2571 0.3664 0.1587 -0.0421 0.0014 -0.0724 101 LEU H N 11323 C CA . LEU H 87 ? 0.2482 0.3581 0.1555 -0.0396 0.0001 -0.0697 101 LEU H CA 11324 C C . LEU H 87 ? 0.2723 0.3780 0.1803 -0.0366 0.0017 -0.0662 101 LEU H C 11325 O O . LEU H 87 ? 0.2604 0.3665 0.1677 -0.0355 0.0027 -0.0670 101 LEU H O 11326 C CB . LEU H 87 ? 0.2459 0.3596 0.1591 -0.0397 -0.0008 -0.0722 101 LEU H CB 11327 C CG . LEU H 87 ? 0.3112 0.4289 0.2247 -0.0425 -0.0025 -0.0755 101 LEU H CG 11328 C CD1 . LEU H 87 ? 0.3139 0.4315 0.2300 -0.0426 -0.0006 -0.0782 101 LEU H CD1 11329 C CD2 . LEU H 87 ? 0.3597 0.4829 0.2770 -0.0438 -0.0037 -0.0758 101 LEU H CD2 11330 N N . TYR H 88 ? 0.2071 0.3111 0.1157 -0.0347 0.0022 -0.0617 102 TYR H N 11331 C CA . TYR H 88 ? 0.1975 0.2969 0.1067 -0.0311 0.0037 -0.0572 102 TYR H CA 11332 C C . TYR H 88 ? 0.2671 0.3713 0.1847 -0.0296 0.0020 -0.0553 102 TYR H C 11333 O O . TYR H 88 ? 0.2675 0.3786 0.1868 -0.0306 0.0010 -0.0541 102 TYR H O 11334 C CB . TYR H 88 ? 0.1981 0.2904 0.0998 -0.0294 0.0080 -0.0523 102 TYR H CB 11335 C CG . TYR H 88 ? 0.2016 0.2865 0.0956 -0.0327 0.0123 -0.0561 102 TYR H CG 11336 C CD1 . TYR H 88 ? 0.2244 0.3093 0.1152 -0.0359 0.0141 -0.0587 102 TYR H CD1 11337 C CD2 . TYR H 88 ? 0.2076 0.2872 0.0980 -0.0334 0.0151 -0.0581 102 TYR H CD2 11338 C CE1 . TYR H 88 ? 0.2354 0.3138 0.1201 -0.0406 0.0193 -0.0636 102 TYR H CE1 11339 C CE2 . TYR H 88 ? 0.2251 0.3002 0.1088 -0.0390 0.0199 -0.0642 102 TYR H CE2 11340 C CZ . TYR H 88 ? 0.2921 0.3661 0.1733 -0.0432 0.0222 -0.0672 102 TYR H CZ 11341 O OH . TYR H 88 ? 0.2621 0.3320 0.1378 -0.0502 0.0281 -0.0744 102 TYR H OH 11342 N N . PHE H 89 ? 0.2283 0.3312 0.1518 -0.0272 0.0028 -0.0555 103 PHE H N 11343 C CA . PHE H 89 ? 0.2224 0.3274 0.1552 -0.0267 0.0034 -0.0548 103 PHE H CA 11344 C C . PHE H 89 ? 0.2996 0.4012 0.2344 -0.0215 0.0045 -0.0484 103 PHE H C 11345 O O . PHE H 89 ? 0.2974 0.3945 0.2295 -0.0169 0.0058 -0.0457 103 PHE H O 11346 C CB . PHE H 89 ? 0.2361 0.3402 0.1757 -0.0262 0.0067 -0.0583 103 PHE H CB 11347 C CG . PHE H 89 ? 0.2501 0.3566 0.1887 -0.0308 0.0068 -0.0642 103 PHE H CG 11348 C CD1 . PHE H 89 ? 0.2891 0.3993 0.2320 -0.0368 0.0069 -0.0693 103 PHE H CD1 11349 C CD2 . PHE H 89 ? 0.2661 0.3731 0.1996 -0.0293 0.0072 -0.0651 103 PHE H CD2 11350 C CE1 . PHE H 89 ? 0.2988 0.4105 0.2399 -0.0407 0.0073 -0.0749 103 PHE H CE1 11351 C CE2 . PHE H 89 ? 0.3011 0.4098 0.2332 -0.0327 0.0075 -0.0695 103 PHE H CE2 11352 C CZ . PHE H 89 ? 0.2822 0.3917 0.2179 -0.0381 0.0076 -0.0742 103 PHE H CZ 11353 N N . CYS H 90 ? 0.2693 0.3756 0.2092 -0.0227 0.0040 -0.0463 104 CYS H N 11354 C CA . CYS H 90 ? 0.2772 0.3817 0.2207 -0.0181 0.0050 -0.0398 104 CYS H CA 11355 C C . CYS H 90 ? 0.2773 0.3814 0.2331 -0.0186 0.0084 -0.0424 104 CYS H C 11356 O O . CYS H 90 ? 0.2719 0.3809 0.2335 -0.0253 0.0096 -0.0492 104 CYS H O 11357 C CB . CYS H 90 ? 0.3031 0.4164 0.2443 -0.0186 0.0034 -0.0348 104 CYS H CB 11358 S SG . CYS H 90 ? 0.3650 0.4781 0.3109 -0.0129 0.0045 -0.0256 104 CYS H SG 11359 N N . ALA H 91 ? 0.1908 0.2886 0.1506 -0.0115 0.0113 -0.0373 105 ALA H N 11360 C CA . ALA H 91 ? 0.1752 0.2702 0.1475 -0.0100 0.0173 -0.0379 105 ALA H CA 11361 C C . ALA H 91 ? 0.2079 0.3024 0.1851 -0.0056 0.0177 -0.0306 105 ALA H C 11362 O O . ALA H 91 ? 0.2192 0.3125 0.1890 -0.0003 0.0143 -0.0237 105 ALA H O 11363 C CB . ALA H 91 ? 0.1844 0.2742 0.1582 -0.0028 0.0227 -0.0369 105 ALA H CB 11364 N N . SER H 92 ? 0.1336 0.2285 0.1232 -0.0085 0.0228 -0.0324 106 SER H N 11365 C CA . SER H 92 ? 0.1158 0.2108 0.1115 -0.0041 0.0237 -0.0252 106 SER H CA 11366 C C . SER H 92 ? 0.1700 0.2567 0.1797 -0.0005 0.0340 -0.0252 106 SER H C 11367 O O . SER H 92 ? 0.1700 0.2525 0.1861 -0.0048 0.0415 -0.0324 106 SER H O 11368 C CB . SER H 92 ? 0.1400 0.2489 0.1364 -0.0121 0.0196 -0.0261 106 SER H CB 11369 O OG . SER H 92 ? 0.1997 0.3161 0.2070 -0.0234 0.0237 -0.0360 106 SER H OG 11370 N N . SER H 93 ? 0.1244 0.2074 0.1384 0.0088 0.0356 -0.0159 107 SER H N 11371 C CA . SER H 93 ? 0.1262 0.2010 0.1543 0.0151 0.0466 -0.0129 107 SER H CA 11372 C C . SER H 93 ? 0.1707 0.2478 0.2048 0.0173 0.0454 -0.0059 107 SER H C 11373 O O . SER H 93 ? 0.1674 0.2504 0.1918 0.0189 0.0363 0.0000 107 SER H O 11374 C CB . SER H 93 ? 0.1750 0.2440 0.2015 0.0297 0.0513 -0.0064 107 SER H CB 11375 O OG . SER H 93 ? 0.3043 0.3760 0.3215 0.0391 0.0440 0.0020 107 SER H OG 11376 N N . VAL H 94 ? 0.1258 0.1976 0.1756 0.0170 0.0560 -0.0063 108 VAL H N 11377 C CA . VAL H 94 ? 0.1239 0.1984 0.1824 0.0181 0.0568 -0.0003 108 VAL H CA 11378 C C . VAL H 94 ? 0.1811 0.2531 0.2324 0.0340 0.0512 0.0141 108 VAL H C 11379 O O . VAL H 94 ? 0.1631 0.2425 0.2076 0.0338 0.0428 0.0200 108 VAL H O 11380 C CB . VAL H 94 ? 0.1768 0.2417 0.2547 0.0163 0.0729 -0.0038 108 VAL H CB 11381 C CG1 . VAL H 94 ? 0.1743 0.2415 0.2621 0.0191 0.0743 0.0037 108 VAL H CG1 11382 C CG2 . VAL H 94 ? 0.1802 0.2478 0.2646 -0.0024 0.0792 -0.0201 108 VAL H CG2 11383 N N . ALA H 95 ? 0.1603 0.2238 0.2123 0.0481 0.0566 0.0198 109 ALA H N 11384 C CA . ALA H 95 ? 0.1588 0.2213 0.2040 0.0633 0.0526 0.0316 109 ALA H CA 11385 C C . ALA H 95 ? 0.2122 0.2773 0.2435 0.0680 0.0481 0.0300 109 ALA H C 11386 O O . ALA H 95 ? 0.2061 0.2725 0.2352 0.0607 0.0492 0.0214 109 ALA H O 11387 C CB . ALA H 95 ? 0.1727 0.2287 0.2326 0.0770 0.0638 0.0402 109 ALA H CB 11388 N N . PRO H 96 ? 0.1847 0.2515 0.2057 0.0783 0.0431 0.0370 110 PRO H N 11389 C CA . PRO H 96 ? 0.1925 0.2646 0.1999 0.0788 0.0388 0.0327 110 PRO H CA 11390 C C . PRO H 96 ? 0.2558 0.3353 0.2663 0.0916 0.0453 0.0349 110 PRO H C 11391 O O . PRO H 96 ? 0.2571 0.3455 0.2563 0.0938 0.0414 0.0325 110 PRO H O 11392 C CB . PRO H 96 ? 0.2152 0.2857 0.2089 0.0807 0.0313 0.0373 110 PRO H CB 11393 C CG . PRO H 96 ? 0.2614 0.3281 0.2635 0.0908 0.0340 0.0481 110 PRO H CG 11394 C CD . PRO H 96 ? 0.2008 0.2654 0.2205 0.0881 0.0408 0.0479 110 PRO H CD 11395 N N . GLY H 97 ? 0.2022 0.2798 0.2280 0.0996 0.0565 0.0391 111 GLY H N 11396 C CA . GLY H 97 ? 0.1948 0.2822 0.2253 0.1147 0.0656 0.0440 111 GLY H CA 11397 C C . GLY H 97 ? 0.2449 0.3351 0.2768 0.1108 0.0721 0.0379 111 GLY H C 11398 O O . GLY H 97 ? 0.2474 0.3407 0.2685 0.0991 0.0645 0.0291 111 GLY H O 11399 N N . SER H 98 ? 0.1980 0.2855 0.2433 0.1211 0.0879 0.0434 113 SER H N 11400 C CA . SER H 98 ? 0.1983 0.2867 0.2455 0.1202 0.0978 0.0399 113 SER H CA 11401 C C . SER H 98 ? 0.2570 0.3272 0.3108 0.1038 0.1026 0.0308 113 SER H C 11402 O O . SER H 98 ? 0.2655 0.3316 0.3219 0.1022 0.1133 0.0277 113 SER H O 11403 C CB . SER H 98 ? 0.2405 0.3357 0.2978 0.1416 0.1157 0.0519 113 SER H CB 11404 O OG . SER H 98 ? 0.3201 0.4392 0.3702 0.1561 0.1106 0.0588 113 SER H OG 11405 N N . ASP H 99 ? 0.2047 0.2663 0.2602 0.0914 0.0948 0.0262 114 ASP H N 11406 C CA . ASP H 99 ? 0.2024 0.2530 0.2635 0.0736 0.0969 0.0157 114 ASP H CA 11407 C C . ASP H 99 ? 0.2407 0.2936 0.2926 0.0618 0.0930 0.0053 114 ASP H C 11408 O O . ASP H 99 ? 0.2249 0.2881 0.2631 0.0615 0.0813 0.0044 114 ASP H O 11409 C CB . ASP H 99 ? 0.2259 0.2775 0.2852 0.0632 0.0846 0.0136 114 ASP H CB 11410 C CG . ASP H 99 ? 0.3915 0.4412 0.4587 0.0745 0.0867 0.0244 114 ASP H CG 11411 O OD1 . ASP H 99 ? 0.3928 0.4489 0.4529 0.0878 0.0813 0.0332 114 ASP H OD1 11412 O OD2 . ASP H 99 ? 0.5065 0.5493 0.5867 0.0694 0.0938 0.0234 114 ASP H OD2 11413 N N . THR H 100 ? 0.2203 0.2630 0.2799 0.0516 0.1038 -0.0030 115 THR H N 11414 C CA . THR H 100 ? 0.2221 0.2649 0.2745 0.0403 0.1022 -0.0131 115 THR H CA 11415 C C . THR H 100 ? 0.2483 0.3011 0.2886 0.0273 0.0830 -0.0201 115 THR H C 11416 O O . THR H 100 ? 0.2320 0.2872 0.2747 0.0182 0.0766 -0.0232 115 THR H O 11417 C CB . THR H 100 ? 0.3706 0.3991 0.4344 0.0299 0.1184 -0.0221 115 THR H CB 11418 O OG1 . THR H 100 ? 0.4350 0.4515 0.5108 0.0437 0.1394 -0.0138 115 THR H OG1 11419 C CG2 . THR H 100 ? 0.3326 0.3600 0.3889 0.0202 0.1189 -0.0317 115 THR H CG2 11420 N N . GLN H 101 ? 0.1946 0.2548 0.2223 0.0274 0.0751 -0.0215 116 GLN H N 11421 C CA . GLN H 101 ? 0.1815 0.2499 0.1970 0.0173 0.0597 -0.0270 116 GLN H CA 11422 C C . GLN H 101 ? 0.2410 0.3084 0.2559 0.0028 0.0602 -0.0386 116 GLN H C 11423 O O . GLN H 101 ? 0.2373 0.3004 0.2522 0.0031 0.0680 -0.0416 116 GLN H O 11424 C CB . GLN H 101 ? 0.1876 0.2644 0.1905 0.0244 0.0522 -0.0231 116 GLN H CB 11425 C CG . GLN H 101 ? 0.2319 0.3126 0.2332 0.0362 0.0495 -0.0138 116 GLN H CG 11426 C CD . GLN H 101 ? 0.4014 0.4928 0.3905 0.0404 0.0432 -0.0130 116 GLN H CD 11427 O OE1 . GLN H 101 ? 0.3346 0.4292 0.3141 0.0320 0.0368 -0.0193 116 GLN H OE1 11428 N NE2 . GLN H 101 ? 0.2570 0.3555 0.2463 0.0530 0.0452 -0.0057 116 GLN H NE2 11429 N N . TYR H 102 ? 0.2018 0.2752 0.2162 -0.0091 0.0527 -0.0445 117 TYR H N 11430 C CA . TYR H 102 ? 0.1985 0.2760 0.2127 -0.0234 0.0520 -0.0564 117 TYR H CA 11431 C C . TYR H 102 ? 0.2422 0.3310 0.2434 -0.0272 0.0387 -0.0576 117 TYR H C 11432 O O . TYR H 102 ? 0.2398 0.3366 0.2363 -0.0263 0.0303 -0.0529 117 TYR H O 11433 C CB . TYR H 102 ? 0.2094 0.2910 0.2345 -0.0341 0.0556 -0.0628 117 TYR H CB 11434 C CG . TYR H 102 ? 0.2311 0.2981 0.2703 -0.0327 0.0726 -0.0640 117 TYR H CG 11435 C CD1 . TYR H 102 ? 0.2533 0.3142 0.3000 -0.0219 0.0773 -0.0540 117 TYR H CD1 11436 C CD2 . TYR H 102 ? 0.2506 0.3083 0.2955 -0.0413 0.0857 -0.0747 117 TYR H CD2 11437 C CE1 . TYR H 102 ? 0.2700 0.3164 0.3307 -0.0194 0.0953 -0.0541 117 TYR H CE1 11438 C CE2 . TYR H 102 ? 0.2748 0.3159 0.3330 -0.0397 0.1049 -0.0755 117 TYR H CE2 11439 C CZ . TYR H 102 ? 0.3791 0.4146 0.4455 -0.0283 0.1100 -0.0648 117 TYR H CZ 11440 O OH . TYR H 102 ? 0.4288 0.4469 0.5091 -0.0253 0.1311 -0.0645 117 TYR H OH 11441 N N . PHE H 103 ? 0.1895 0.2779 0.1846 -0.0302 0.0384 -0.0628 118 PHE H N 11442 C CA . PHE H 103 ? 0.1842 0.2810 0.1673 -0.0324 0.0280 -0.0637 118 PHE H CA 11443 C C . PHE H 103 ? 0.2610 0.3710 0.2434 -0.0436 0.0230 -0.0712 118 PHE H C 11444 O O . PHE H 103 ? 0.2655 0.3785 0.2558 -0.0526 0.0282 -0.0799 118 PHE H O 11445 C CB . PHE H 103 ? 0.2033 0.2954 0.1806 -0.0297 0.0301 -0.0650 118 PHE H CB 11446 C CG . PHE H 103 ? 0.2117 0.3004 0.1862 -0.0179 0.0319 -0.0567 118 PHE H CG 11447 C CD1 . PHE H 103 ? 0.2432 0.3254 0.2259 -0.0096 0.0424 -0.0520 118 PHE H CD1 11448 C CD2 . PHE H 103 ? 0.2260 0.3197 0.1900 -0.0150 0.0245 -0.0539 118 PHE H CD2 11449 C CE1 . PHE H 103 ? 0.2488 0.3341 0.2289 0.0024 0.0438 -0.0441 118 PHE H CE1 11450 C CE2 . PHE H 103 ? 0.2575 0.3533 0.2188 -0.0056 0.0260 -0.0482 118 PHE H CE2 11451 C CZ . PHE H 103 ? 0.2308 0.3245 0.2000 0.0036 0.0350 -0.0430 118 PHE H CZ 11452 N N . GLY H 104 ? 0.2285 0.3476 0.2014 -0.0425 0.0143 -0.0676 119 GLY H N 11453 C CA . GLY H 104 ? 0.2290 0.3655 0.1991 -0.0495 0.0092 -0.0719 119 GLY H CA 11454 C C . GLY H 104 ? 0.2881 0.4251 0.2527 -0.0529 0.0080 -0.0781 119 GLY H C 11455 O O . GLY H 104 ? 0.2801 0.4041 0.2423 -0.0494 0.0108 -0.0779 119 GLY H O 11456 N N . PRO H 105 ? 0.2510 0.4057 0.2132 -0.0587 0.0041 -0.0828 120 PRO H N 11457 C CA . PRO H 105 ? 0.2498 0.4053 0.2071 -0.0615 0.0030 -0.0886 120 PRO H CA 11458 C C . PRO H 105 ? 0.3081 0.4550 0.2555 -0.0541 0.0001 -0.0819 120 PRO H C 11459 O O . PRO H 105 ? 0.3046 0.4482 0.2484 -0.0552 0.0000 -0.0855 120 PRO H O 11460 C CB . PRO H 105 ? 0.2728 0.4542 0.2301 -0.0673 -0.0008 -0.0933 120 PRO H CB 11461 C CG . PRO H 105 ? 0.3248 0.5187 0.2826 -0.0635 -0.0031 -0.0850 120 PRO H CG 11462 C CD . PRO H 105 ? 0.2666 0.4449 0.2310 -0.0623 0.0010 -0.0828 120 PRO H CD 11463 N N . GLY H 106 ? 0.2710 0.4143 0.2141 -0.0473 -0.0014 -0.0727 121 GLY H N 11464 C CA . GLY H 106 ? 0.2645 0.3994 0.1987 -0.0422 -0.0024 -0.0678 121 GLY H CA 11465 C C . GLY H 106 ? 0.3132 0.4574 0.2405 -0.0407 -0.0042 -0.0647 121 GLY H C 11466 O O . GLY H 106 ? 0.3019 0.4625 0.2309 -0.0434 -0.0058 -0.0675 121 GLY H O 11467 N N . THR H 107 ? 0.2747 0.4094 0.1944 -0.0362 -0.0025 -0.0592 122 THR H N 11468 C CA . THR H 107 ? 0.2739 0.4124 0.1868 -0.0331 -0.0006 -0.0549 122 THR H CA 11469 C C . THR H 107 ? 0.3182 0.4471 0.2267 -0.0347 0.0002 -0.0585 122 THR H C 11470 O O . THR H 107 ? 0.3103 0.4270 0.2164 -0.0352 0.0017 -0.0593 122 THR H O 11471 C CB . THR H 107 ? 0.3526 0.4863 0.2602 -0.0269 0.0043 -0.0451 122 THR H CB 11472 O OG1 . THR H 107 ? 0.3378 0.4853 0.2493 -0.0250 0.0032 -0.0407 122 THR H OG1 11473 C CG2 . THR H 107 ? 0.3275 0.4605 0.2275 -0.0223 0.0102 -0.0395 122 THR H CG2 11474 N N . ARG H 108 ? 0.2718 0.4086 0.1793 -0.0355 -0.0008 -0.0608 123 ARG H N 11475 C CA . ARG H 108 ? 0.2624 0.3914 0.1659 -0.0369 0.0002 -0.0636 123 ARG H CA 11476 C C . ARG H 108 ? 0.3149 0.4383 0.2120 -0.0329 0.0068 -0.0576 123 ARG H C 11477 O O . ARG H 108 ? 0.3263 0.4595 0.2223 -0.0279 0.0095 -0.0522 123 ARG H O 11478 C CB . ARG H 108 ? 0.2550 0.3926 0.1606 -0.0395 -0.0035 -0.0691 123 ARG H CB 11479 C CG . ARG H 108 ? 0.3628 0.4921 0.2651 -0.0415 -0.0032 -0.0721 123 ARG H CG 11480 C CD . ARG H 108 ? 0.4870 0.6226 0.3909 -0.0436 -0.0063 -0.0768 123 ARG H CD 11481 N NE . ARG H 108 ? 0.6029 0.7337 0.5027 -0.0441 -0.0056 -0.0775 123 ARG H NE 11482 C CZ . ARG H 108 ? 0.7419 0.8777 0.6404 -0.0434 -0.0068 -0.0785 123 ARG H CZ 11483 N NH1 . ARG H 108 ? 0.5651 0.7122 0.4658 -0.0424 -0.0089 -0.0798 123 ARG H NH1 11484 N NH2 . ARG H 108 ? 0.5538 0.6855 0.4491 -0.0441 -0.0057 -0.0787 123 ARG H NH2 11485 N N . LEU H 109 ? 0.2613 0.3703 0.1542 -0.0350 0.0110 -0.0588 124 LEU H N 11486 C CA . LEU H 109 ? 0.2627 0.3609 0.1494 -0.0331 0.0206 -0.0550 124 LEU H CA 11487 C C . LEU H 109 ? 0.3177 0.4115 0.2025 -0.0376 0.0224 -0.0605 124 LEU H C 11488 O O . LEU H 109 ? 0.3071 0.4004 0.1926 -0.0434 0.0184 -0.0673 124 LEU H O 11489 C CB . LEU H 109 ? 0.2673 0.3520 0.1501 -0.0338 0.0262 -0.0537 124 LEU H CB 11490 C CG . LEU H 109 ? 0.3426 0.4111 0.2182 -0.0336 0.0397 -0.0514 124 LEU H CG 11491 C CD1 . LEU H 109 ? 0.3505 0.4198 0.2235 -0.0239 0.0485 -0.0397 124 LEU H CD1 11492 C CD2 . LEU H 109 ? 0.3858 0.4414 0.2574 -0.0374 0.0442 -0.0543 124 LEU H CD2 11493 N N . THR H 110 ? 0.2856 0.3779 0.1681 -0.0339 0.0294 -0.0564 125 THR H N 11494 C CA . THR H 110 ? 0.2826 0.3690 0.1635 -0.0379 0.0335 -0.0607 125 THR H CA 11495 C C . THR H 110 ? 0.3337 0.4039 0.2096 -0.0362 0.0490 -0.0567 125 THR H C 11496 O O . THR H 110 ? 0.3254 0.3957 0.1999 -0.0270 0.0569 -0.0469 125 THR H O 11497 C CB . THR H 110 ? 0.3790 0.4778 0.2629 -0.0349 0.0283 -0.0602 125 THR H CB 11498 O OG1 . THR H 110 ? 0.4113 0.5188 0.2984 -0.0390 0.0170 -0.0661 125 THR H OG1 11499 C CG2 . THR H 110 ? 0.3748 0.4667 0.2570 -0.0367 0.0351 -0.0618 125 THR H CG2 11500 N N . VAL H 111 ? 0.3054 0.3632 0.1785 -0.0453 0.0548 -0.0645 126 VAL H N 11501 C CA . VAL H 111 ? 0.3275 0.3657 0.1957 -0.0471 0.0723 -0.0641 126 VAL H CA 11502 C C . VAL H 111 ? 0.3999 0.4349 0.2690 -0.0519 0.0779 -0.0689 126 VAL H C 11503 O O . VAL H 111 ? 0.3801 0.4223 0.2509 -0.0611 0.0705 -0.0786 126 VAL H O 11504 C CB . VAL H 111 ? 0.3819 0.4087 0.2458 -0.0557 0.0768 -0.0714 126 VAL H CB 11505 C CG1 . VAL H 111 ? 0.4005 0.4035 0.2585 -0.0573 0.0982 -0.0706 126 VAL H CG1 11506 C CG2 . VAL H 111 ? 0.3716 0.4041 0.2358 -0.0510 0.0685 -0.0670 126 VAL H CG2 11507 N N . LEU H 112 ? 0.3893 0.4155 0.2577 -0.0442 0.0915 -0.0608 127 LEU H N 11508 C CA . LEU H 112 ? 0.4084 0.4296 0.2784 -0.0466 0.0996 -0.0633 127 LEU H CA 11509 C C . LEU H 112 ? 0.5210 0.5164 0.3871 -0.0505 0.1233 -0.0647 127 LEU H C 11510 O O . LEU H 112 ? 0.5225 0.5045 0.3840 -0.0463 0.1348 -0.0592 127 LEU H O 11511 C CB . LEU H 112 ? 0.4040 0.4377 0.2773 -0.0327 0.0975 -0.0520 127 LEU H CB 11512 C CG . LEU H 112 ? 0.4438 0.5017 0.3209 -0.0297 0.0766 -0.0519 127 LEU H CG 11513 C CD1 . LEU H 112 ? 0.4436 0.5164 0.3226 -0.0151 0.0768 -0.0403 127 LEU H CD1 11514 C CD2 . LEU H 112 ? 0.4622 0.5270 0.3417 -0.0387 0.0657 -0.0615 127 LEU H CD2 11515 N N . GLU H 113 ? 0.5314 0.5192 0.3992 -0.0590 0.1318 -0.0723 128 GLU H N 11516 C CA . GLU H 113 ? 0.5760 0.5370 0.4409 -0.0650 0.1572 -0.0759 128 GLU H CA 11517 C C . GLU H 113 ? 0.6834 0.6305 0.5467 -0.0474 0.1767 -0.0587 128 GLU H C 11518 O O . GLU H 113 ? 0.7053 0.6309 0.5632 -0.0455 0.1958 -0.0549 128 GLU H O 11519 C CB . GLU H 113 ? 0.6005 0.5601 0.4691 -0.0774 0.1615 -0.0872 128 GLU H CB 11520 C CG . GLU H 113 ? 0.7792 0.7247 0.6448 -0.0971 0.1739 -0.1043 128 GLU H CG 11521 C CD . GLU H 113 ? 1.0452 1.0120 0.9103 -0.1110 0.1549 -0.1182 128 GLU H CD 11522 O OE1 . GLU H 113 ? 1.0231 1.0122 0.8923 -0.1145 0.1390 -0.1222 128 GLU H OE1 11523 O OE2 . GLU H 113 ? 0.9212 0.8831 0.7815 -0.1177 0.1573 -0.1246 128 GLU H OE2 11524 N N . ASP H 114 ? 0.6512 0.6132 0.5190 -0.0337 0.1716 -0.0476 129 ASP H N 11525 C CA . ASP H 114 ? 0.6656 0.6262 0.5332 -0.0134 0.1866 -0.0290 129 ASP H CA 11526 C C . ASP H 114 ? 0.6773 0.6705 0.5485 -0.0008 0.1656 -0.0203 129 ASP H C 11527 O O . ASP H 114 ? 0.6557 0.6657 0.5305 -0.0082 0.1447 -0.0290 129 ASP H O 11528 C CB . ASP H 114 ? 0.7175 0.6605 0.5879 -0.0107 0.2094 -0.0264 129 ASP H CB 11529 C CG . ASP H 114 ? 0.8978 0.8530 0.7747 -0.0174 0.1970 -0.0345 129 ASP H CG 11530 O OD1 . ASP H 114 ? 0.8995 0.8756 0.7802 -0.0040 0.1873 -0.0249 129 ASP H OD1 11531 O OD2 . ASP H 114 ? 1.0028 0.9487 0.8806 -0.0361 0.1972 -0.0505 129 ASP H OD2 11532 N N . LEU H 115 ? 0.6209 0.6245 0.4908 0.0178 0.1725 -0.0033 130 LEU H N 11533 C CA . LEU H 115 ? 0.5939 0.6319 0.4670 0.0288 0.1544 0.0037 130 LEU H CA 11534 C C . LEU H 115 ? 0.6393 0.6911 0.5169 0.0416 0.1586 0.0120 130 LEU H C 11535 O O . LEU H 115 ? 0.6317 0.7144 0.5118 0.0512 0.1456 0.0176 130 LEU H O 11536 C CB . LEU H 115 ? 0.5957 0.6456 0.4650 0.0417 0.1576 0.0171 130 LEU H CB 11537 C CG . LEU H 115 ? 0.6538 0.6906 0.5185 0.0317 0.1545 0.0112 130 LEU H CG 11538 C CD1 . LEU H 115 ? 0.6689 0.7076 0.5285 0.0465 0.1683 0.0277 130 LEU H CD1 11539 C CD2 . LEU H 115 ? 0.6505 0.7044 0.5182 0.0203 0.1273 -0.0009 130 LEU H CD2 11540 N N . LYS H 116 ? 0.5939 0.6241 0.4731 0.0405 0.1764 0.0115 131 LYS H N 11541 C CA . LYS H 116 ? 0.5863 0.6260 0.4703 0.0535 0.1834 0.0202 131 LYS H CA 11542 C C . LYS H 116 ? 0.5965 0.6597 0.4850 0.0490 0.1586 0.0123 131 LYS H C 11543 O O . LYS H 116 ? 0.5857 0.6683 0.4776 0.0632 0.1585 0.0213 131 LYS H O 11544 C CB . LYS H 116 ? 0.6416 0.6484 0.5268 0.0497 0.2087 0.0186 131 LYS H CB 11545 N N . ASN H 117 ? 0.5233 0.5855 0.4114 0.0307 0.1392 -0.0036 132 ASN H N 11546 C CA . ASN H 117 ? 0.4947 0.5747 0.3857 0.0253 0.1176 -0.0115 132 ASN H CA 11547 C C . ASN H 117 ? 0.4956 0.6018 0.3859 0.0269 0.0975 -0.0125 132 ASN H C 11548 O O . ASN H 117 ? 0.4800 0.5962 0.3714 0.0190 0.0798 -0.0214 132 ASN H O 11549 C CB . ASN H 117 ? 0.5361 0.6011 0.4271 0.0056 0.1112 -0.0270 132 ASN H CB 11550 C CG . ASN H 117 ? 0.9762 1.0204 0.8694 0.0005 0.1282 -0.0296 132 ASN H CG 11551 O OD1 . ASN H 117 ? 0.9370 0.9698 0.8316 0.0112 0.1492 -0.0199 132 ASN H OD1 11552 N ND2 . ASN H 117 ? 0.9008 0.9408 0.7945 -0.0158 0.1208 -0.0428 132 ASN H ND2 11553 N N . VAL H 118 ? 0.4225 0.5403 0.3111 0.0371 0.1015 -0.0031 133 VAL H N 11554 C CA . VAL H 118 ? 0.3875 0.5316 0.2762 0.0377 0.0844 -0.0048 133 VAL H CA 11555 C C . VAL H 118 ? 0.4003 0.5757 0.2917 0.0521 0.0817 0.0031 133 VAL H C 11556 O O . VAL H 118 ? 0.4001 0.5827 0.2917 0.0681 0.0970 0.0169 133 VAL H O 11557 C CB . VAL H 118 ? 0.4310 0.5747 0.3166 0.0391 0.0882 -0.0003 133 VAL H CB 11558 C CG1 . VAL H 118 ? 0.4094 0.5831 0.2963 0.0395 0.0721 -0.0021 133 VAL H CG1 11559 C CG2 . VAL H 118 ? 0.4324 0.5474 0.3153 0.0243 0.0895 -0.0096 133 VAL H CG2 11560 N N . PHE H 119 ? 0.3258 0.5192 0.2191 0.0467 0.0638 -0.0057 134 PHE H N 11561 C CA . PHE H 119 ? 0.3088 0.5341 0.2044 0.0577 0.0590 -0.0017 134 PHE H CA 11562 C C . PHE H 119 ? 0.3430 0.5940 0.2391 0.0511 0.0417 -0.0110 134 PHE H C 11563 O O . PHE H 119 ? 0.3240 0.5622 0.2196 0.0363 0.0307 -0.0232 134 PHE H O 11564 C CB . PHE H 119 ? 0.3249 0.5425 0.2221 0.0576 0.0579 -0.0042 134 PHE H CB 11565 C CG . PHE H 119 ? 0.3535 0.5507 0.2518 0.0655 0.0765 0.0050 134 PHE H CG 11566 C CD1 . PHE H 119 ? 0.4021 0.5660 0.2998 0.0534 0.0822 -0.0012 134 PHE H CD1 11567 C CD2 . PHE H 119 ? 0.3837 0.5971 0.2842 0.0849 0.0891 0.0190 134 PHE H CD2 11568 C CE1 . PHE H 119 ? 0.4294 0.5733 0.3288 0.0585 0.1012 0.0052 134 PHE H CE1 11569 C CE2 . PHE H 119 ? 0.4368 0.6286 0.3392 0.0923 0.1089 0.0275 134 PHE H CE2 11570 C CZ . PHE H 119 ? 0.4244 0.5801 0.3264 0.0780 0.1152 0.0198 134 PHE H CZ 11571 N N . PRO H 120 ? 0.3033 0.5926 0.2007 0.0618 0.0401 -0.0059 135 PRO H N 11572 C CA . PRO H 120 ? 0.2950 0.6097 0.1935 0.0531 0.0250 -0.0174 135 PRO H CA 11573 C C . PRO H 120 ? 0.3597 0.6785 0.2588 0.0476 0.0148 -0.0276 135 PRO H C 11574 O O . PRO H 120 ? 0.3521 0.6624 0.2511 0.0544 0.0193 -0.0229 135 PRO H O 11575 C CB . PRO H 120 ? 0.3139 0.6717 0.2133 0.0669 0.0291 -0.0077 135 PRO H CB 11576 C CG . PRO H 120 ? 0.3721 0.7334 0.2715 0.0859 0.0436 0.0082 135 PRO H CG 11577 C CD . PRO H 120 ? 0.3238 0.6373 0.2218 0.0824 0.0532 0.0104 135 PRO H CD 11578 N N . PRO H 121 ? 0.3282 0.6591 0.2277 0.0358 0.0028 -0.0414 136 PRO H N 11579 C CA . PRO H 121 ? 0.3297 0.6622 0.2284 0.0316 -0.0046 -0.0503 136 PRO H CA 11580 C C . PRO H 121 ? 0.3940 0.7661 0.2936 0.0425 -0.0055 -0.0482 136 PRO H C 11581 O O . PRO H 121 ? 0.3852 0.7924 0.2864 0.0515 -0.0026 -0.0424 136 PRO H O 11582 C CB . PRO H 121 ? 0.3487 0.6768 0.2474 0.0147 -0.0136 -0.0658 136 PRO H CB 11583 C CG . PRO H 121 ? 0.4023 0.7497 0.3032 0.0135 -0.0129 -0.0654 136 PRO H CG 11584 C CD . PRO H 121 ? 0.3451 0.6869 0.2457 0.0257 -0.0030 -0.0496 136 PRO H CD 11585 N N . GLU H 122 ? 0.3634 0.7315 0.2616 0.0420 -0.0096 -0.0527 137 GLU H N 11586 C CA . GLU H 122 ? 0.3668 0.7694 0.2651 0.0493 -0.0128 -0.0548 137 GLU H CA 11587 C C . GLU H 122 ? 0.4158 0.8202 0.3123 0.0323 -0.0223 -0.0735 137 GLU H C 11588 O O . GLU H 122 ? 0.4167 0.7866 0.3109 0.0212 -0.0248 -0.0800 137 GLU H O 11589 C CB . GLU H 122 ? 0.3894 0.7817 0.2871 0.0610 -0.0089 -0.0459 137 GLU H CB 11590 C CG . GLU H 122 ? 0.5722 0.9714 0.4725 0.0802 0.0038 -0.0273 137 GLU H CG 11591 C CD . GLU H 122 ? 0.9372 1.3119 0.8382 0.0885 0.0104 -0.0185 137 GLU H CD 11592 O OE1 . GLU H 122 ? 0.8719 1.2684 0.7742 0.1031 0.0131 -0.0115 137 GLU H OE1 11593 O OE2 . GLU H 122 ? 0.9282 1.2640 0.8285 0.0803 0.0131 -0.0188 137 GLU H OE2 11594 N N . VAL H 123 ? 0.3671 0.8116 0.2647 0.0296 -0.0260 -0.0823 138 VAL H N 11595 C CA . VAL H 123 ? 0.3639 0.8101 0.2603 0.0116 -0.0321 -0.1019 138 VAL H CA 11596 C C . VAL H 123 ? 0.4062 0.8819 0.3005 0.0135 -0.0356 -0.1101 138 VAL H C 11597 O O . VAL H 123 ? 0.3995 0.9195 0.2955 0.0253 -0.0352 -0.1054 138 VAL H O 11598 C CB . VAL H 123 ? 0.4146 0.8804 0.3144 0.0014 -0.0330 -0.1099 138 VAL H CB 11599 C CG1 . VAL H 123 ? 0.4183 0.8820 0.3176 -0.0187 -0.0363 -0.1313 138 VAL H CG1 11600 C CG2 . VAL H 123 ? 0.4093 0.8453 0.3105 0.0010 -0.0295 -0.1007 138 VAL H CG2 11601 N N . ALA H 124 ? 0.3568 0.8081 0.2470 0.0029 -0.0378 -0.1214 139 ALA H N 11602 C CA . ALA H 124 ? 0.3520 0.8234 0.2389 0.0023 -0.0405 -0.1313 139 ALA H CA 11603 C C . ALA H 124 ? 0.4071 0.8636 0.2910 -0.0182 -0.0407 -0.1518 139 ALA H C 11604 O O . ALA H 124 ? 0.4036 0.8183 0.2860 -0.0272 -0.0382 -0.1533 139 ALA H O 11605 C CB . ALA H 124 ? 0.3585 0.8097 0.2421 0.0149 -0.0400 -0.1198 139 ALA H CB 11606 N N . VAL H 125 ? 0.3730 0.8651 0.2560 -0.0254 -0.0422 -0.1677 140 VAL H N 11607 C CA . VAL H 125 ? 0.3827 0.8632 0.2625 -0.0458 -0.0395 -0.1896 140 VAL H CA 11608 C C . VAL H 125 ? 0.4158 0.8922 0.2886 -0.0432 -0.0395 -0.1941 140 VAL H C 11609 O O . VAL H 125 ? 0.4079 0.9193 0.2803 -0.0304 -0.0433 -0.1894 140 VAL H O 11610 C CB . VAL H 125 ? 0.4434 0.9669 0.3278 -0.0601 -0.0396 -0.2078 140 VAL H CB 11611 C CG1 . VAL H 125 ? 0.4596 0.9863 0.3401 -0.0791 -0.0357 -0.2330 140 VAL H CG1 11612 C CG2 . VAL H 125 ? 0.4404 0.9484 0.3302 -0.0683 -0.0375 -0.2069 140 VAL H CG2 11613 N N . PHE H 126 ? 0.3661 0.7994 0.2332 -0.0537 -0.0342 -0.2015 141 PHE H N 11614 C CA . PHE H 126 ? 0.3692 0.7904 0.2281 -0.0524 -0.0324 -0.2056 141 PHE H CA 11615 C C . PHE H 126 ? 0.4387 0.8612 0.2940 -0.0731 -0.0255 -0.2311 141 PHE H C 11616 O O . PHE H 126 ? 0.4328 0.8289 0.2890 -0.0882 -0.0179 -0.2406 141 PHE H O 11617 C CB . PHE H 126 ? 0.3860 0.7562 0.2400 -0.0451 -0.0298 -0.1904 141 PHE H CB 11618 C CG . PHE H 126 ? 0.3813 0.7528 0.2386 -0.0259 -0.0353 -0.1679 141 PHE H CG 11619 C CD1 . PHE H 126 ? 0.4007 0.7654 0.2643 -0.0231 -0.0361 -0.1573 141 PHE H CD1 11620 C CD2 . PHE H 126 ? 0.4006 0.7804 0.2550 -0.0109 -0.0385 -0.1578 141 PHE H CD2 11621 C CE1 . PHE H 126 ? 0.3967 0.7614 0.2633 -0.0069 -0.0386 -0.1383 141 PHE H CE1 11622 C CE2 . PHE H 126 ? 0.4223 0.8019 0.2807 0.0060 -0.0410 -0.1379 141 PHE H CE2 11623 C CZ . PHE H 126 ? 0.3885 0.7595 0.2528 0.0071 -0.0404 -0.1289 141 PHE H CZ 11624 N N . GLU H 127 ? 0.4155 0.8711 0.2672 -0.0737 -0.0271 -0.2426 142 GLU H N 11625 C CA . GLU H 127 ? 0.4432 0.9070 0.2910 -0.0945 -0.0198 -0.2698 142 GLU H CA 11626 C C . GLU H 127 ? 0.5253 0.9314 0.3639 -0.1025 -0.0079 -0.2742 142 GLU H C 11627 O O . GLU H 127 ? 0.5198 0.8946 0.3531 -0.0882 -0.0087 -0.2561 142 GLU H O 11628 C CB . GLU H 127 ? 0.4637 0.9818 0.3096 -0.0911 -0.0252 -0.2799 142 GLU H CB 11629 C CG . GLU H 127 ? 0.5870 1.1695 0.4417 -0.0857 -0.0336 -0.2791 142 GLU H CG 11630 C CD . GLU H 127 ? 0.9241 1.5702 0.7781 -0.0907 -0.0364 -0.2977 142 GLU H CD 11631 O OE1 . GLU H 127 ? 0.8290 1.4755 0.6754 -0.0885 -0.0355 -0.3037 142 GLU H OE1 11632 O OE2 . GLU H 127 ? 0.9422 1.6409 0.8031 -0.0961 -0.0395 -0.3059 142 GLU H OE2 11633 N N . PRO H 128 ? 0.5046 0.8966 0.3413 -0.1251 0.0047 -0.2975 143 PRO H N 11634 C CA . PRO H 128 ? 0.5217 0.8570 0.3492 -0.1312 0.0195 -0.2999 143 PRO H CA 11635 C C . PRO H 128 ? 0.5916 0.9188 0.4076 -0.1242 0.0214 -0.2994 143 PRO H C 11636 O O . PRO H 128 ? 0.5919 0.9598 0.4062 -0.1254 0.0161 -0.3113 143 PRO H O 11637 C CB . PRO H 128 ? 0.5672 0.8984 0.3964 -0.1576 0.0341 -0.3278 143 PRO H CB 11638 C CG . PRO H 128 ? 0.6137 0.9905 0.4546 -0.1641 0.0255 -0.3347 143 PRO H CG 11639 C CD . PRO H 128 ? 0.5344 0.9603 0.3776 -0.1458 0.0079 -0.3219 143 PRO H CD 11640 N N . SER H 129 ? 0.5518 0.8278 0.3597 -0.1165 0.0295 -0.2852 144 SER H N 11641 C CA . SER H 129 ? 0.5552 0.8125 0.3507 -0.1093 0.0340 -0.2820 144 SER H CA 11642 C C . SER H 129 ? 0.6333 0.8942 0.4220 -0.1291 0.0470 -0.3109 144 SER H C 11643 O O . SER H 129 ? 0.6470 0.8914 0.4371 -0.1487 0.0616 -0.3288 144 SER H O 11644 C CB . SER H 129 ? 0.5942 0.7959 0.3829 -0.1007 0.0438 -0.2631 144 SER H CB 11645 O OG . SER H 129 ? 0.7170 0.8896 0.4920 -0.1012 0.0567 -0.2662 144 SER H OG 11646 N N . GLU H 130 ? 0.5941 0.8775 0.3757 -0.1243 0.0426 -0.3162 145 GLU H N 11647 C CA . GLU H 130 ? 0.6202 0.9099 0.3942 -0.1432 0.0549 -0.3450 145 GLU H CA 11648 C C . GLU H 130 ? 0.6920 0.9181 0.4535 -0.1495 0.0775 -0.3466 145 GLU H C 11649 O O . GLU H 130 ? 0.7165 0.9297 0.4740 -0.1715 0.0956 -0.3723 145 GLU H O 11650 C CB . GLU H 130 ? 0.6352 0.9684 0.4049 -0.1340 0.0434 -0.3483 145 GLU H CB 11651 C CG . GLU H 130 ? 0.7748 1.1787 0.5561 -0.1309 0.0258 -0.3525 145 GLU H CG 11652 C CD . GLU H 130 ? 1.1147 1.5567 0.9025 -0.1561 0.0300 -0.3831 145 GLU H CD 11653 O OE1 . GLU H 130 ? 1.1477 1.5909 0.9286 -0.1762 0.0425 -0.4108 145 GLU H OE1 11654 O OE2 . GLU H 130 ? 1.0304 1.5033 0.8302 -0.1561 0.0211 -0.3799 145 GLU H OE2 11655 N N . ALA H 131 ? 0.6385 0.8258 0.3944 -0.1301 0.0779 -0.3186 146 ALA H N 11656 C CA . ALA H 131 ? 0.6621 0.7894 0.4056 -0.1296 0.0992 -0.3120 146 ALA H CA 11657 C C . ALA H 131 ? 0.7200 0.8144 0.4682 -0.1430 0.1167 -0.3174 146 ALA H C 11658 O O . ALA H 131 ? 0.7539 0.8073 0.4931 -0.1535 0.1414 -0.3271 146 ALA H O 11659 C CB . ALA H 131 ? 0.6538 0.7607 0.3924 -0.1042 0.0917 -0.2790 146 ALA H CB 11660 N N . GLU H 132 ? 0.6443 0.7560 0.4062 -0.1421 0.1053 -0.3108 147 GLU H N 11661 C CA . GLU H 132 ? 0.6526 0.7397 0.4213 -0.1532 0.1189 -0.3146 147 GLU H CA 11662 C C . GLU H 132 ? 0.7428 0.8339 0.5131 -0.1806 0.1352 -0.3486 147 GLU H C 11663 O O . GLU H 132 ? 0.7678 0.8156 0.5338 -0.1914 0.1607 -0.3563 147 GLU H O 11664 C CB . GLU H 132 ? 0.6342 0.7476 0.4173 -0.1463 0.1002 -0.3021 147 GLU H CB 11665 C CG . GLU H 132 ? 0.7350 0.8243 0.5258 -0.1549 0.1125 -0.3030 147 GLU H CG 11666 C CD . GLU H 132 ? 0.8325 0.9532 0.6380 -0.1553 0.0966 -0.3001 147 GLU H CD 11667 O OE1 . GLU H 132 ? 0.6394 0.7502 0.4521 -0.1686 0.1072 -0.3103 147 GLU H OE1 11668 O OE2 . GLU H 132 ? 0.6715 0.8245 0.4810 -0.1419 0.0753 -0.2871 147 GLU H OE2 11669 N N . ILE H 133 ? 0.6984 0.8435 0.4748 -0.1916 0.1217 -0.3687 148 ILE H N 11670 C CA . ILE H 133 ? 0.7222 0.8862 0.5015 -0.2196 0.1332 -0.4041 148 ILE H CA 11671 C C . ILE H 133 ? 0.8074 0.9353 0.5722 -0.2314 0.1577 -0.4210 148 ILE H C 11672 O O . ILE H 133 ? 0.8335 0.9333 0.5981 -0.2525 0.1822 -0.4416 148 ILE H O 11673 C CB . ILE H 133 ? 0.7428 0.9810 0.5296 -0.2231 0.1107 -0.4170 148 ILE H CB 11674 C CG1 . ILE H 133 ? 0.7114 0.9814 0.5123 -0.2124 0.0906 -0.4005 148 ILE H CG1 11675 C CG2 . ILE H 133 ? 0.7783 1.0445 0.5667 -0.2534 0.1220 -0.4565 148 ILE H CG2 11676 C CD1 . ILE H 133 ? 0.7826 1.1203 0.5886 -0.2006 0.0659 -0.3963 148 ILE H CD1 11677 N N . SER H 134 ? 0.7670 0.8917 0.5196 -0.2167 0.1529 -0.4107 149 SER H N 11678 C CA . SER H 134 ? 0.8057 0.8969 0.5425 -0.2243 0.1748 -0.4236 149 SER H CA 11679 C C . SER H 134 ? 0.8880 0.9063 0.6152 -0.2176 0.2012 -0.4072 149 SER H C 11680 O O . SER H 134 ? 0.9226 0.9066 0.6347 -0.2181 0.2201 -0.4105 149 SER H O 11681 C CB . SER H 134 ? 0.8381 0.9532 0.5657 -0.2078 0.1588 -0.4148 149 SER H CB 11682 O OG . SER H 134 ? 1.0090 1.1020 0.7216 -0.2186 0.1783 -0.4330 149 SER H OG 11683 N N . HIS H 135 ? 0.8251 0.8213 0.5606 -0.2108 0.2038 -0.3896 150 HIS H N 11684 C CA . HIS H 135 ? 0.8414 0.7752 0.5689 -0.2017 0.2289 -0.3714 150 HIS H CA 11685 C C . HIS H 135 ? 0.8889 0.7998 0.6268 -0.2134 0.2463 -0.3767 150 HIS H C 11686 O O . HIS H 135 ? 0.9151 0.7755 0.6462 -0.2189 0.2785 -0.3794 150 HIS H O 11687 C CB . HIS H 135 ? 0.8241 0.7511 0.5481 -0.1712 0.2134 -0.3330 150 HIS H CB 11688 C CG . HIS H 135 ? 0.8903 0.7608 0.6036 -0.1581 0.2381 -0.3114 150 HIS H CG 11689 N ND1 . HIS H 135 ? 0.9496 0.7835 0.6456 -0.1567 0.2610 -0.3125 150 HIS H ND1 11690 C CD2 . HIS H 135 ? 0.9033 0.7524 0.6206 -0.1445 0.2429 -0.2875 150 HIS H CD2 11691 C CE1 . HIS H 135 ? 0.9525 0.7444 0.6426 -0.1418 0.2799 -0.2882 150 HIS H CE1 11692 N NE2 . HIS H 135 ? 0.9300 0.7314 0.6327 -0.1339 0.2693 -0.2728 150 HIS H NE2 11693 N N . THR H 136 ? 0.8123 0.7587 0.5663 -0.2160 0.2268 -0.3769 151 THR H N 11694 C CA . THR H 136 ? 0.8134 0.7420 0.5787 -0.2251 0.2403 -0.3798 151 THR H CA 11695 C C . THR H 136 ? 0.8730 0.8321 0.6499 -0.2540 0.2418 -0.4142 151 THR H C 11696 O O . THR H 136 ? 0.8868 0.8263 0.6724 -0.2655 0.2586 -0.4216 151 THR H O 11697 C CB . THR H 136 ? 0.8309 0.7716 0.6057 -0.2050 0.2193 -0.3510 151 THR H CB 11698 O OG1 . THR H 136 ? 0.7582 0.7556 0.5408 -0.2023 0.1870 -0.3519 151 THR H OG1 11699 C CG2 . THR H 136 ? 0.8097 0.7192 0.5747 -0.1785 0.2215 -0.3175 151 THR H CG2 11700 N N . GLN H 137 ? 0.8130 0.8235 0.5907 -0.2646 0.2242 -0.4342 152 GLN H N 11701 C CA . GLN H 137 ? 0.8110 0.8665 0.5999 -0.2909 0.2204 -0.4666 152 GLN H CA 11702 C C . GLN H 137 ? 0.8223 0.9055 0.6278 -0.2871 0.2025 -0.4562 152 GLN H C 11703 O O . GLN H 137 ? 0.8243 0.9313 0.6410 -0.3081 0.2052 -0.4782 152 GLN H O 11704 C CB . GLN H 137 ? 0.8754 0.9008 0.6624 -0.3207 0.2548 -0.4996 152 GLN H CB 11705 C CG . GLN H 137 ? 0.9984 1.0122 0.7698 -0.3303 0.2696 -0.5184 152 GLN H CG 11706 C CD . GLN H 137 ? 1.1627 1.2438 0.9334 -0.3352 0.2448 -0.5343 152 GLN H CD 11707 O OE1 . GLN H 137 ? 1.0596 1.1938 0.8407 -0.3552 0.2358 -0.5596 152 GLN H OE1 11708 N NE2 . GLN H 137 ? 1.0556 1.1383 0.8139 -0.3162 0.2341 -0.5193 152 GLN H NE2 11709 N N . LYS H 138 ? 0.7387 0.8194 0.5451 -0.2601 0.1845 -0.4226 153 LYS H N 11710 C CA . LYS H 138 ? 0.7000 0.8033 0.5192 -0.2503 0.1655 -0.4063 153 LYS H CA 11711 C C . LYS H 138 ? 0.7076 0.8534 0.5264 -0.2306 0.1354 -0.3887 153 LYS H C 11712 O O . LYS H 138 ? 0.7050 0.8433 0.5129 -0.2171 0.1316 -0.3779 153 LYS H O 11713 C CB . LYS H 138 ? 0.7292 0.7826 0.5494 -0.2365 0.1770 -0.3819 153 LYS H CB 11714 C CG . LYS H 138 ? 0.9439 0.9627 0.7695 -0.2544 0.2051 -0.3969 153 LYS H CG 11715 C CD . LYS H 138 ? 1.0866 1.0439 0.9043 -0.2415 0.2294 -0.3780 153 LYS H CD 11716 C CE . LYS H 138 ? 1.2442 1.1636 1.0656 -0.2603 0.2631 -0.3957 153 LYS H CE 11717 N NZ . LYS H 138 ? 1.3830 1.2430 1.1946 -0.2467 0.2912 -0.3777 153 LYS H NZ 11718 N N . ALA H 139 ? 0.6236 0.8134 0.4541 -0.2286 0.1156 -0.3857 154 ALA H N 11719 C CA . ALA H 139 ? 0.5834 0.8154 0.4151 -0.2101 0.0895 -0.3693 154 ALA H CA 11720 C C . ALA H 139 ? 0.6014 0.8339 0.4418 -0.1949 0.0767 -0.3451 154 ALA H C 11721 O O . ALA H 139 ? 0.5918 0.8423 0.4428 -0.2040 0.0745 -0.3515 154 ALA H O 11722 C CB . ALA H 139 ? 0.5893 0.8852 0.4255 -0.2223 0.0787 -0.3911 154 ALA H CB 11723 N N . THR H 140 ? 0.5379 0.7503 0.3736 -0.1726 0.0691 -0.3180 155 THR H N 11724 C CA . THR H 140 ? 0.5094 0.7194 0.3518 -0.1577 0.0579 -0.2948 155 THR H CA 11725 C C . THR H 140 ? 0.5399 0.7961 0.3863 -0.1442 0.0361 -0.2841 155 THR H C 11726 O O . THR H 140 ? 0.5400 0.8029 0.3803 -0.1307 0.0284 -0.2738 155 THR H O 11727 C CB . THR H 140 ? 0.5602 0.7234 0.3959 -0.1426 0.0641 -0.2723 155 THR H CB 11728 O OG1 . THR H 140 ? 0.5888 0.7100 0.4202 -0.1525 0.0871 -0.2801 155 THR H OG1 11729 C CG2 . THR H 140 ? 0.5039 0.6642 0.3462 -0.1299 0.0544 -0.2512 155 THR H CG2 11730 N N . LEU H 141 ? 0.4736 0.7592 0.3302 -0.1468 0.0279 -0.2849 156 LEU H N 11731 C CA . LEU H 141 ? 0.4490 0.7760 0.3105 -0.1331 0.0106 -0.2725 156 LEU H CA 11732 C C . LEU H 141 ? 0.4812 0.7839 0.3450 -0.1179 0.0059 -0.2481 156 LEU H C 11733 O O . LEU H 141 ? 0.4705 0.7497 0.3384 -0.1230 0.0118 -0.2464 156 LEU H O 11734 C CB . LEU H 141 ? 0.4502 0.8241 0.3208 -0.1446 0.0065 -0.2868 156 LEU H CB 11735 C CG . LEU H 141 ? 0.5207 0.9425 0.3902 -0.1546 0.0048 -0.3077 156 LEU H CG 11736 C CD1 . LEU H 141 ? 0.5554 0.9677 0.4248 -0.1808 0.0198 -0.3363 156 LEU H CD1 11737 C CD2 . LEU H 141 ? 0.5330 1.0153 0.4102 -0.1499 -0.0071 -0.3058 156 LEU H CD2 11738 N N . VAL H 142 ? 0.4306 0.7379 0.2917 -0.0996 -0.0036 -0.2298 157 VAL H N 11739 C CA . VAL H 142 ? 0.4097 0.6954 0.2726 -0.0864 -0.0074 -0.2081 157 VAL H CA 11740 C C . VAL H 142 ? 0.4697 0.7901 0.3391 -0.0755 -0.0184 -0.1976 157 VAL H C 11741 O O . VAL H 142 ? 0.4631 0.8155 0.3320 -0.0669 -0.0245 -0.1956 157 VAL H O 11742 C CB . VAL H 142 ? 0.4449 0.7002 0.2998 -0.0748 -0.0062 -0.1941 157 VAL H CB 11743 C CG1 . VAL H 142 ? 0.4235 0.6651 0.2808 -0.0621 -0.0112 -0.1735 157 VAL H CG1 11744 C CG2 . VAL H 142 ? 0.4604 0.6780 0.3085 -0.0835 0.0075 -0.2010 157 VAL H CG2 11745 N N . CYS H 143 ? 0.4405 0.7547 0.3158 -0.0751 -0.0192 -0.1903 158 CYS H N 11746 C CA . CYS H 143 ? 0.4340 0.7732 0.3146 -0.0639 -0.0264 -0.1779 158 CYS H CA 11747 C C . CYS H 143 ? 0.4331 0.7441 0.3123 -0.0516 -0.0276 -0.1588 158 CYS H C 11748 O O . CYS H 143 ? 0.4292 0.7056 0.3067 -0.0552 -0.0233 -0.1564 158 CYS H O 11749 C CB . CYS H 143 ? 0.4565 0.8104 0.3441 -0.0725 -0.0260 -0.1836 158 CYS H CB 11750 S SG . CYS H 143 ? 0.5017 0.8793 0.3946 -0.0577 -0.0316 -0.1657 158 CYS H SG 11751 N N . LEU H 144 ? 0.3527 0.6800 0.2330 -0.0370 -0.0320 -0.1455 159 LEU H N 11752 C CA . LEU H 144 ? 0.3290 0.6324 0.2085 -0.0266 -0.0320 -0.1291 159 LEU H CA 11753 C C . LEU H 144 ? 0.3527 0.6718 0.2373 -0.0166 -0.0328 -0.1172 159 LEU H C 11754 O O . LEU H 144 ? 0.3550 0.7029 0.2411 -0.0057 -0.0338 -0.1117 159 LEU H O 11755 C CB . LEU H 144 ? 0.3258 0.6239 0.2003 -0.0178 -0.0330 -0.1235 159 LEU H CB 11756 C CG . LEU H 144 ? 0.3832 0.6511 0.2555 -0.0117 -0.0318 -0.1107 159 LEU H CG 11757 C CD1 . LEU H 144 ? 0.3951 0.6318 0.2636 -0.0212 -0.0283 -0.1144 159 LEU H CD1 11758 C CD2 . LEU H 144 ? 0.4067 0.6774 0.2756 -0.0011 -0.0332 -0.1040 159 LEU H CD2 11759 N N . ALA H 145 ? 0.2836 0.5839 0.1706 -0.0196 -0.0308 -0.1127 160 ALA H N 11760 C CA . ALA H 145 ? 0.2628 0.5694 0.1534 -0.0112 -0.0290 -0.1011 160 ALA H CA 11761 C C . ALA H 145 ? 0.2930 0.5728 0.1821 -0.0045 -0.0263 -0.0894 160 ALA H C 11762 O O . ALA H 145 ? 0.2812 0.5338 0.1680 -0.0109 -0.0261 -0.0908 160 ALA H O 11763 C CB . ALA H 145 ? 0.2679 0.5713 0.1618 -0.0195 -0.0282 -0.1046 160 ALA H CB 11764 N N . THR H 146 ? 0.2414 0.5313 0.1317 0.0087 -0.0231 -0.0781 161 THR H N 11765 C CA . THR H 146 ? 0.2329 0.5001 0.1224 0.0142 -0.0190 -0.0684 161 THR H CA 11766 C C . THR H 146 ? 0.2788 0.5472 0.1715 0.0240 -0.0106 -0.0565 161 THR H C 11767 O O . THR H 146 ? 0.2730 0.5653 0.1678 0.0312 -0.0078 -0.0525 161 THR H O 11768 C CB . THR H 146 ? 0.2702 0.5424 0.1578 0.0214 -0.0204 -0.0663 161 THR H CB 11769 O OG1 . THR H 146 ? 0.2897 0.5953 0.1792 0.0322 -0.0199 -0.0635 161 THR H OG1 11770 C CG2 . THR H 146 ? 0.2363 0.4987 0.1192 0.0124 -0.0258 -0.0760 161 THR H CG2 11771 N N . GLY H 147 ? 0.2386 0.4822 0.1312 0.0241 -0.0053 -0.0510 162 GLY H N 11772 C CA . GLY H 147 ? 0.2411 0.4775 0.1360 0.0321 0.0061 -0.0404 162 GLY H CA 11773 C C . GLY H 147 ? 0.2923 0.5246 0.1878 0.0297 0.0110 -0.0388 162 GLY H C 11774 O O . GLY H 147 ? 0.2905 0.5201 0.1874 0.0385 0.0228 -0.0290 162 GLY H O 11775 N N . PHE H 148 ? 0.2428 0.4726 0.1373 0.0186 0.0038 -0.0474 163 PHE H N 11776 C CA . PHE H 148 ? 0.2452 0.4712 0.1402 0.0166 0.0079 -0.0455 163 PHE H CA 11777 C C . PHE H 148 ? 0.2968 0.4932 0.1905 0.0078 0.0113 -0.0474 163 PHE H C 11778 O O . PHE H 148 ? 0.2774 0.4607 0.1699 -0.0005 0.0065 -0.0536 163 PHE H O 11779 C CB . PHE H 148 ? 0.2632 0.5056 0.1589 0.0103 -0.0003 -0.0532 163 PHE H CB 11780 C CG . PHE H 148 ? 0.2769 0.5085 0.1718 -0.0024 -0.0088 -0.0648 163 PHE H CG 11781 C CD1 . PHE H 148 ? 0.3108 0.5517 0.2047 -0.0044 -0.0146 -0.0715 163 PHE H CD1 11782 C CD2 . PHE H 148 ? 0.3022 0.5144 0.1967 -0.0113 -0.0094 -0.0685 163 PHE H CD2 11783 C CE1 . PHE H 148 ? 0.3230 0.5516 0.2155 -0.0148 -0.0191 -0.0809 163 PHE H CE1 11784 C CE2 . PHE H 148 ? 0.3356 0.5383 0.2293 -0.0206 -0.0146 -0.0771 163 PHE H CE2 11785 C CZ . PHE H 148 ? 0.3100 0.5197 0.2026 -0.0221 -0.0185 -0.0829 163 PHE H CZ 11786 N N . PHE H 149 ? 0.2601 0.4486 0.1537 0.0100 0.0203 -0.0418 164 PHE H N 11787 C CA . PHE H 149 ? 0.2599 0.4240 0.1520 0.0013 0.0245 -0.0446 164 PHE H CA 11788 C C . PHE H 149 ? 0.3143 0.4771 0.2057 0.0037 0.0308 -0.0398 164 PHE H C 11789 O O . PHE H 149 ? 0.3056 0.4758 0.1969 0.0152 0.0409 -0.0297 164 PHE H O 11790 C CB . PHE H 149 ? 0.2906 0.4365 0.1823 0.0009 0.0345 -0.0426 164 PHE H CB 11791 C CG . PHE H 149 ? 0.3106 0.4360 0.2005 -0.0106 0.0379 -0.0485 164 PHE H CG 11792 C CD1 . PHE H 149 ? 0.3428 0.4651 0.2320 -0.0214 0.0287 -0.0573 164 PHE H CD1 11793 C CD2 . PHE H 149 ? 0.3417 0.4532 0.2303 -0.0100 0.0511 -0.0449 164 PHE H CD2 11794 C CE1 . PHE H 149 ? 0.3568 0.4667 0.2444 -0.0315 0.0313 -0.0631 164 PHE H CE1 11795 C CE2 . PHE H 149 ? 0.3792 0.4746 0.2658 -0.0214 0.0540 -0.0521 164 PHE H CE2 11796 C CZ . PHE H 149 ? 0.3496 0.4465 0.2360 -0.0322 0.0435 -0.0614 164 PHE H CZ 11797 N N . PRO H 150 ? 0.2915 0.4452 0.1820 -0.0052 0.0267 -0.0454 165 PRO H N 11798 C CA . PRO H 150 ? 0.2920 0.4381 0.1825 -0.0168 0.0172 -0.0553 165 PRO H CA 11799 C C . PRO H 150 ? 0.3587 0.5203 0.2512 -0.0188 0.0059 -0.0607 165 PRO H C 11800 O O . PRO H 150 ? 0.3549 0.5348 0.2486 -0.0129 0.0041 -0.0587 165 PRO H O 11801 C CB . PRO H 150 ? 0.3135 0.4479 0.2027 -0.0213 0.0202 -0.0560 165 PRO H CB 11802 C CG . PRO H 150 ? 0.3729 0.5036 0.2604 -0.0131 0.0329 -0.0467 165 PRO H CG 11803 C CD . PRO H 150 ? 0.3141 0.4648 0.2033 -0.0022 0.0336 -0.0398 165 PRO H CD 11804 N N . ASP H 151 ? 0.3280 0.4833 0.2207 -0.0270 -0.0002 -0.0677 166 ASP H N 11805 C CA . ASP H 151 ? 0.3355 0.5002 0.2298 -0.0301 -0.0075 -0.0737 166 ASP H CA 11806 C C . ASP H 151 ? 0.4038 0.5764 0.3011 -0.0323 -0.0095 -0.0761 166 ASP H C 11807 O O . ASP H 151 ? 0.4030 0.5744 0.3021 -0.0379 -0.0128 -0.0825 166 ASP H O 11808 C CB . ASP H 151 ? 0.3595 0.5138 0.2523 -0.0356 -0.0102 -0.0783 166 ASP H CB 11809 C CG . ASP H 151 ? 0.5122 0.6553 0.4047 -0.0401 -0.0089 -0.0792 166 ASP H CG 11810 O OD1 . ASP H 151 ? 0.5110 0.6478 0.4025 -0.0400 -0.0046 -0.0765 166 ASP H OD1 11811 O OD2 . ASP H 151 ? 0.6418 0.7825 0.5349 -0.0431 -0.0108 -0.0824 166 ASP H OD2 11812 N N . HIS H 152 ? 0.3638 0.5455 0.2618 -0.0272 -0.0062 -0.0704 167 HIS H N 11813 C CA . HIS H 152 ? 0.3581 0.5513 0.2593 -0.0288 -0.0079 -0.0716 167 HIS H CA 11814 C C . HIS H 152 ? 0.4015 0.6215 0.3050 -0.0279 -0.0114 -0.0751 167 HIS H C 11815 O O . HIS H 152 ? 0.3990 0.6399 0.3027 -0.0207 -0.0091 -0.0689 167 HIS H O 11816 C CB . HIS H 152 ? 0.3692 0.5607 0.2690 -0.0230 -0.0018 -0.0624 167 HIS H CB 11817 C CG . HIS H 152 ? 0.4125 0.5801 0.3100 -0.0258 0.0017 -0.0613 167 HIS H CG 11818 N ND1 . HIS H 152 ? 0.4340 0.5973 0.3319 -0.0259 0.0035 -0.0585 167 HIS H ND1 11819 C CD2 . HIS H 152 ? 0.4351 0.5857 0.3300 -0.0285 0.0040 -0.0629 167 HIS H CD2 11820 C CE1 . HIS H 152 ? 0.4302 0.5738 0.3254 -0.0289 0.0067 -0.0593 167 HIS H CE1 11821 N NE2 . HIS H 152 ? 0.4342 0.5711 0.3277 -0.0311 0.0070 -0.0624 167 HIS H NE2 11822 N N . VAL H 153 ? 0.3486 0.5696 0.2534 -0.0349 -0.0156 -0.0850 168 VAL H N 11823 C CA . VAL H 153 ? 0.3451 0.5914 0.2517 -0.0367 -0.0186 -0.0918 168 VAL H CA 11824 C C . VAL H 153 ? 0.4039 0.6510 0.3143 -0.0482 -0.0201 -0.1040 168 VAL H C 11825 O O . VAL H 153 ? 0.3978 0.6216 0.3084 -0.0535 -0.0186 -0.1075 168 VAL H O 11826 C CB . VAL H 153 ? 0.3909 0.6389 0.2943 -0.0334 -0.0197 -0.0926 168 VAL H CB 11827 C CG1 . VAL H 153 ? 0.3876 0.6439 0.2891 -0.0212 -0.0165 -0.0811 168 VAL H CG1 11828 C CG2 . VAL H 153 ? 0.3882 0.6089 0.2891 -0.0376 -0.0197 -0.0952 168 VAL H CG2 11829 N N . GLU H 154 ? 0.3747 0.6506 0.2884 -0.0519 -0.0216 -0.1106 169 GLU H N 11830 C CA . GLU H 154 ? 0.3777 0.6575 0.2957 -0.0647 -0.0210 -0.1246 169 GLU H CA 11831 C C . GLU H 154 ? 0.4101 0.7149 0.3277 -0.0687 -0.0227 -0.1350 169 GLU H C 11832 O O . GLU H 154 ? 0.4017 0.7410 0.3196 -0.0638 -0.0253 -0.1329 169 GLU H O 11833 C CB . GLU H 154 ? 0.3982 0.6917 0.3216 -0.0683 -0.0207 -0.1251 169 GLU H CB 11834 C CG . GLU H 154 ? 0.5448 0.8106 0.4692 -0.0667 -0.0184 -0.1179 169 GLU H CG 11835 C CD . GLU H 154 ? 0.8311 1.1094 0.7598 -0.0669 -0.0182 -0.1143 169 GLU H CD 11836 O OE1 . GLU H 154 ? 0.7124 1.0246 0.6437 -0.0688 -0.0198 -0.1173 169 GLU H OE1 11837 O OE2 . GLU H 154 ? 0.7838 1.0403 0.7128 -0.0647 -0.0164 -0.1081 169 GLU H OE2 11838 N N . LEU H 155 ? 0.3655 0.6538 0.2815 -0.0761 -0.0203 -0.1450 170 LEU H N 11839 C CA . LEU H 155 ? 0.3686 0.6771 0.2832 -0.0810 -0.0210 -0.1563 170 LEU H CA 11840 C C . LEU H 155 ? 0.4328 0.7488 0.3520 -0.0975 -0.0165 -0.1747 170 LEU H C 11841 O O . LEU H 155 ? 0.4322 0.7187 0.3529 -0.1052 -0.0097 -0.1800 170 LEU H O 11842 C CB . LEU H 155 ? 0.3722 0.6574 0.2805 -0.0774 -0.0198 -0.1547 170 LEU H CB 11843 C CG . LEU H 155 ? 0.4371 0.7451 0.3420 -0.0753 -0.0225 -0.1597 170 LEU H CG 11844 C CD1 . LEU H 155 ? 0.4378 0.7250 0.3365 -0.0657 -0.0232 -0.1502 170 LEU H CD1 11845 C CD2 . LEU H 155 ? 0.4805 0.7961 0.3859 -0.0901 -0.0184 -0.1792 170 LEU H CD2 11846 N N . SER H 156 ? 0.3917 0.7490 0.3130 -0.1027 -0.0191 -0.1846 171 SER H N 11847 C CA . SER H 156 ? 0.4007 0.7738 0.3267 -0.1208 -0.0145 -0.2052 171 SER H CA 11848 C C . SER H 156 ? 0.4586 0.8650 0.3820 -0.1257 -0.0162 -0.2184 171 SER H C 11849 O O . SER H 156 ? 0.4377 0.8696 0.3576 -0.1131 -0.0227 -0.2094 171 SER H O 11850 C CB . SER H 156 ? 0.4349 0.8351 0.3680 -0.1251 -0.0161 -0.2060 171 SER H CB 11851 O OG . SER H 156 ? 0.5293 0.9729 0.4618 -0.1139 -0.0233 -0.1964 171 SER H OG 11852 N N . TRP H 157 ? 0.4445 0.8502 0.3696 -0.1440 -0.0089 -0.2399 172 TRP H N 11853 C CA . TRP H 157 ? 0.4598 0.8980 0.3826 -0.1527 -0.0090 -0.2570 172 TRP H CA 11854 C C . TRP H 157 ? 0.5387 1.0245 0.4687 -0.1684 -0.0088 -0.2745 172 TRP H C 11855 O O . TRP H 157 ? 0.5398 1.0139 0.4763 -0.1820 -0.0020 -0.2838 172 TRP H O 11856 C CB . TRP H 157 ? 0.4595 0.8605 0.3776 -0.1632 0.0015 -0.2703 172 TRP H CB 11857 C CG . TRP H 157 ? 0.4661 0.8353 0.3757 -0.1483 0.0002 -0.2557 172 TRP H CG 11858 C CD1 . TRP H 157 ? 0.5006 0.8223 0.4076 -0.1405 0.0044 -0.2421 172 TRP H CD1 11859 C CD2 . TRP H 157 ? 0.4616 0.8465 0.3644 -0.1401 -0.0049 -0.2542 172 TRP H CD2 11860 N NE1 . TRP H 157 ? 0.4905 0.7981 0.3896 -0.1288 0.0019 -0.2324 172 TRP H NE1 11861 C CE2 . TRP H 157 ? 0.5076 0.8513 0.4040 -0.1280 -0.0037 -0.2391 172 TRP H CE2 11862 C CE3 . TRP H 157 ? 0.4766 0.9099 0.3783 -0.1408 -0.0105 -0.2634 172 TRP H CE3 11863 C CZ2 . TRP H 157 ? 0.4950 0.8407 0.3843 -0.1175 -0.0076 -0.2334 172 TRP H CZ2 11864 C CZ3 . TRP H 157 ? 0.4928 0.9278 0.3873 -0.1292 -0.0143 -0.2571 172 TRP H CZ3 11865 C CH2 . TRP H 157 ? 0.4984 0.8887 0.3870 -0.1177 -0.0130 -0.2420 172 TRP H CH2 11866 N N . TRP H 158 ? 0.5103 1.0523 0.4395 -0.1660 -0.0158 -0.2788 173 TRP H N 11867 C CA . TRP H 158 ? 0.5209 1.1193 0.4566 -0.1804 -0.0166 -0.2957 173 TRP H CA 11868 C C . TRP H 158 ? 0.5875 1.2180 0.5205 -0.1939 -0.0147 -0.3191 173 TRP H C 11869 O O . TRP H 158 ? 0.5724 1.2218 0.4993 -0.1813 -0.0203 -0.3132 173 TRP H O 11870 C CB . TRP H 158 ? 0.4914 1.1397 0.4292 -0.1639 -0.0262 -0.2778 173 TRP H CB 11871 C CG . TRP H 158 ? 0.4956 1.1147 0.4357 -0.1524 -0.0270 -0.2567 173 TRP H CG 11872 C CD1 . TRP H 158 ? 0.5234 1.0988 0.4590 -0.1347 -0.0282 -0.2350 173 TRP H CD1 11873 C CD2 . TRP H 158 ? 0.4937 1.1280 0.4409 -0.1580 -0.0265 -0.2558 173 TRP H CD2 11874 N NE1 . TRP H 158 ? 0.5104 1.0711 0.4495 -0.1296 -0.0281 -0.2218 173 TRP H NE1 11875 C CE2 . TRP H 158 ? 0.5335 1.1290 0.4796 -0.1428 -0.0273 -0.2331 173 TRP H CE2 11876 C CE3 . TRP H 158 ? 0.5190 1.1972 0.4737 -0.1754 -0.0253 -0.2728 173 TRP H CE3 11877 C CZ2 . TRP H 158 ? 0.5216 1.1187 0.4730 -0.1429 -0.0269 -0.2258 173 TRP H CZ2 11878 C CZ3 . TRP H 158 ? 0.5342 1.2141 0.4948 -0.1756 -0.0251 -0.2649 173 TRP H CZ3 11879 C CH2 . TRP H 158 ? 0.5310 1.1698 0.4897 -0.1589 -0.0260 -0.2412 173 TRP H CH2 11880 N N . VAL H 159 ? 0.5708 1.2046 0.5083 -0.2201 -0.0053 -0.3462 174 VAL H N 11881 C CA . VAL H 159 ? 0.5871 1.2508 0.5226 -0.2382 -0.0009 -0.3737 174 VAL H CA 11882 C C . VAL H 159 ? 0.6476 1.3836 0.5909 -0.2535 -0.0037 -0.3911 174 VAL H C 11883 O O . VAL H 159 ? 0.6486 1.3814 0.6000 -0.2695 0.0024 -0.4011 174 VAL H O 11884 C CB . VAL H 159 ? 0.6589 1.2655 0.5922 -0.2578 0.0158 -0.3935 174 VAL H CB 11885 C CG1 . VAL H 159 ? 0.6752 1.3089 0.6039 -0.2741 0.0206 -0.4203 174 VAL H CG1 11886 C CG2 . VAL H 159 ? 0.6526 1.1895 0.5791 -0.2413 0.0190 -0.3729 174 VAL H CG2 11887 N N . ASN H 160 ? 0.6045 1.4086 0.5455 -0.2467 -0.0129 -0.3928 175 ASN H N 11888 C CA . ASN H 160 ? 0.6035 1.4923 0.5505 -0.2576 -0.0174 -0.4075 175 ASN H CA 11889 C C . ASN H 160 ? 0.6460 1.5592 0.6002 -0.2492 -0.0227 -0.3902 175 ASN H C 11890 O O . ASN H 160 ? 0.6373 1.6130 0.5981 -0.2625 -0.0239 -0.4039 175 ASN H O 11891 C CB . ASN H 160 ? 0.6190 1.5210 0.5700 -0.2935 -0.0062 -0.4473 175 ASN H CB 11892 C CG . ASN H 160 ? 0.8930 1.7787 0.8359 -0.3025 0.0000 -0.4659 175 ASN H CG 11893 O OD1 . ASN H 160 ? 0.8349 1.7694 0.7726 -0.2939 -0.0075 -0.4671 175 ASN H OD1 11894 N ND2 . ASN H 160 ? 0.7891 1.6061 0.7305 -0.3188 0.0151 -0.4796 175 ASN H ND2 11895 N N . GLY H 161 ? 0.6014 1.4684 0.5539 -0.2271 -0.0255 -0.3605 176 GLY H N 11896 C CA . GLY H 161 ? 0.5909 1.4709 0.5484 -0.2160 -0.0296 -0.3407 176 GLY H CA 11897 C C . GLY H 161 ? 0.6616 1.4825 0.6245 -0.2255 -0.0226 -0.3400 176 GLY H C 11898 O O . GLY H 161 ? 0.6460 1.4684 0.6120 -0.2145 -0.0257 -0.3214 176 GLY H O 11899 N N . LYS H 162 ? 0.6496 1.4180 0.6133 -0.2448 -0.0118 -0.3592 177 LYS H N 11900 C CA . LYS H 162 ? 0.6592 1.3694 0.6283 -0.2535 -0.0028 -0.3592 177 LYS H CA 11901 C C . LYS H 162 ? 0.7187 1.3535 0.6813 -0.2405 0.0011 -0.3442 177 LYS H C 11902 O O . LYS H 162 ? 0.7229 1.3374 0.6788 -0.2416 0.0046 -0.3513 177 LYS H O 11903 C CB . LYS H 162 ? 0.7210 1.4312 0.6975 -0.2860 0.0105 -0.3925 177 LYS H CB 11904 C CG . LYS H 162 ? 0.9594 1.7384 0.9450 -0.3011 0.0079 -0.4061 177 LYS H CG 11905 C CD . LYS H 162 ? 1.1395 1.9205 1.1326 -0.3361 0.0227 -0.4426 177 LYS H CD 11906 C CE . LYS H 162 ? 1.2706 2.1302 1.2726 -0.3533 0.0196 -0.4594 177 LYS H CE 11907 N NZ . LYS H 162 ? 1.3685 2.2274 1.3789 -0.3493 0.0178 -0.4450 177 LYS H NZ 11908 N N . GLU H 163 ? 0.6740 1.2700 0.6382 -0.2279 0.0006 -0.3234 178 GLU H N 11909 C CA . GLU H 163 ? 0.6700 1.2003 0.6287 -0.2148 0.0038 -0.3078 178 GLU H CA 11910 C C . GLU H 163 ? 0.7440 1.2251 0.7040 -0.2320 0.0197 -0.3252 178 GLU H C 11911 O O . GLU H 163 ? 0.7574 1.2395 0.7256 -0.2515 0.0295 -0.3429 178 GLU H O 11912 C CB . GLU H 163 ? 0.6719 1.1801 0.6324 -0.1989 -0.0003 -0.2835 178 GLU H CB 11913 C CG . GLU H 163 ? 0.7985 1.2637 0.7511 -0.1786 -0.0031 -0.2621 178 GLU H CG 11914 C CD . GLU H 163 ? 1.0444 1.4818 0.9984 -0.1654 -0.0050 -0.2412 178 GLU H CD 11915 O OE1 . GLU H 163 ? 0.9546 1.4215 0.9111 -0.1585 -0.0111 -0.2310 178 GLU H OE1 11916 O OE2 . GLU H 163 ? 0.9722 1.3598 0.9238 -0.1609 0.0001 -0.2344 178 GLU H OE2 11917 N N . VAL H 164 ? 0.6994 1.1386 0.6512 -0.2243 0.0236 -0.3199 179 VAL H N 11918 C CA . VAL H 164 ? 0.7136 1.1038 0.6645 -0.2366 0.0410 -0.3330 179 VAL H CA 11919 C C . VAL H 164 ? 0.7485 1.0819 0.6946 -0.2191 0.0441 -0.3111 179 VAL H C 11920 O O . VAL H 164 ? 0.7209 1.0551 0.6621 -0.1993 0.0319 -0.2898 179 VAL H O 11921 C CB . VAL H 164 ? 0.7743 1.1765 0.7191 -0.2484 0.0460 -0.3533 179 VAL H CB 11922 C CG1 . VAL H 164 ? 0.7605 1.1494 0.6940 -0.2296 0.0388 -0.3380 179 VAL H CG1 11923 C CG2 . VAL H 164 ? 0.8010 1.1671 0.7478 -0.2699 0.0682 -0.3758 179 VAL H CG2 11924 N N . HIS H 165 ? 0.7222 1.0089 0.6701 -0.2267 0.0619 -0.3167 180 HIS H N 11925 C CA . HIS H 165 ? 0.7196 0.9555 0.6634 -0.2118 0.0681 -0.2981 180 HIS H CA 11926 C C . HIS H 165 ? 0.7858 0.9822 0.7240 -0.2182 0.0873 -0.3075 180 HIS H C 11927 O O . HIS H 165 ? 0.7788 0.9382 0.7114 -0.2044 0.0928 -0.2917 180 HIS H O 11928 C CB . HIS H 165 ? 0.7294 0.9467 0.6819 -0.2095 0.0729 -0.2893 180 HIS H CB 11929 C CG . HIS H 165 ? 0.7529 1.0025 0.7097 -0.2014 0.0560 -0.2774 180 HIS H CG 11930 N ND1 . HIS H 165 ? 0.7764 1.0659 0.7411 -0.2142 0.0522 -0.2898 180 HIS H ND1 11931 C CD2 . HIS H 165 ? 0.7565 1.0032 0.7103 -0.1822 0.0440 -0.2547 180 HIS H CD2 11932 C CE1 . HIS H 165 ? 0.7493 1.0574 0.7148 -0.2007 0.0385 -0.2724 180 HIS H CE1 11933 N NE2 . HIS H 165 ? 0.7415 1.0234 0.7005 -0.1820 0.0336 -0.2518 180 HIS H NE2 11934 N N . SER H 166 ? 0.7644 0.9702 0.7038 -0.2392 0.0987 -0.3333 181 SER H N 11935 C CA . SER H 166 ? 0.7892 0.9578 0.7228 -0.2476 0.1201 -0.3450 181 SER H CA 11936 C C . SER H 166 ? 0.8212 0.9921 0.7421 -0.2376 0.1127 -0.3398 181 SER H C 11937 O O . SER H 166 ? 0.8099 1.0234 0.7285 -0.2404 0.0983 -0.3474 181 SER H O 11938 C CB . SER H 166 ? 0.8610 1.0402 0.8007 -0.2757 0.1358 -0.3767 181 SER H CB 11939 O OG . SER H 166 ? 0.9950 1.1336 0.9288 -0.2845 0.1601 -0.3885 181 SER H OG 11940 N N . GLY H 167 ? 0.7688 0.8961 0.6817 -0.2249 0.1229 -0.3256 182 GLY H N 11941 C CA . GLY H 167 ? 0.7590 0.8809 0.6594 -0.2135 0.1180 -0.3175 182 GLY H CA 11942 C C . GLY H 167 ? 0.7617 0.9064 0.6594 -0.1934 0.0937 -0.2958 182 GLY H C 11943 O O . GLY H 167 ? 0.7469 0.8974 0.6358 -0.1847 0.0862 -0.2903 182 GLY H O 11944 N N . VAL H 168 ? 0.6865 0.8427 0.5918 -0.1862 0.0828 -0.2834 183 VAL H N 11945 C CA . VAL H 168 ? 0.6510 0.8266 0.5551 -0.1685 0.0625 -0.2634 183 VAL H CA 11946 C C . VAL H 168 ? 0.6934 0.8351 0.5952 -0.1525 0.0648 -0.2414 183 VAL H C 11947 O O . VAL H 168 ? 0.6931 0.8133 0.6002 -0.1539 0.0751 -0.2388 183 VAL H O 11948 C CB . VAL H 168 ? 0.6798 0.8951 0.5930 -0.1715 0.0494 -0.2651 183 VAL H CB 11949 C CG1 . VAL H 168 ? 0.6487 0.8723 0.5612 -0.1527 0.0338 -0.2422 183 VAL H CG1 11950 C CG2 . VAL H 168 ? 0.6805 0.9413 0.5945 -0.1831 0.0434 -0.2832 183 VAL H CG2 11951 N N . CYS H 169 ? 0.6429 0.7833 0.5374 -0.1373 0.0552 -0.2257 184 CYS H N 11952 C CA . CYS H 169 ? 0.6348 0.7516 0.5268 -0.1224 0.0553 -0.2052 184 CYS H CA 11953 C C . CYS H 169 ? 0.6295 0.7656 0.5189 -0.1091 0.0373 -0.1907 184 CYS H C 11954 O O . CYS H 169 ? 0.6196 0.7699 0.5039 -0.1062 0.0304 -0.1916 184 CYS H O 11955 C CB . CYS H 169 ? 0.6648 0.7474 0.5489 -0.1187 0.0713 -0.2014 184 CYS H CB 11956 S SG . CYS H 169 ? 0.7100 0.7885 0.5830 -0.1018 0.0633 -0.1835 184 CYS H SG 11957 N N . THR H 170 ? 0.5513 0.6891 0.4451 -0.1019 0.0307 -0.1787 185 THR H N 11958 C CA . THR H 170 ? 0.5220 0.6744 0.4144 -0.0905 0.0167 -0.1654 185 THR H CA 11959 C C . THR H 170 ? 0.5632 0.6942 0.4521 -0.0799 0.0184 -0.1499 185 THR H C 11960 O O . THR H 170 ? 0.5587 0.6710 0.4494 -0.0802 0.0278 -0.1475 185 THR H O 11961 C CB . THR H 170 ? 0.5400 0.7158 0.4396 -0.0918 0.0084 -0.1655 185 THR H CB 11962 O OG1 . THR H 170 ? 0.5317 0.7303 0.4350 -0.1032 0.0089 -0.1811 185 THR H OG1 11963 C CG2 . THR H 170 ? 0.4810 0.6731 0.3790 -0.0809 -0.0029 -0.1537 185 THR H CG2 11964 N N . ASP H 171 ? 0.5235 0.6596 0.4078 -0.0705 0.0102 -0.1395 186 ASP H N 11965 C CA . ASP H 171 ? 0.5249 0.6480 0.4058 -0.0614 0.0104 -0.1258 186 ASP H CA 11966 C C . ASP H 171 ? 0.5751 0.6945 0.4612 -0.0604 0.0108 -0.1205 186 ASP H C 11967 O O . ASP H 171 ? 0.5579 0.6894 0.4492 -0.0627 0.0052 -0.1225 186 ASP H O 11968 C CB . ASP H 171 ? 0.5421 0.6761 0.4198 -0.0539 0.0009 -0.1177 186 ASP H CB 11969 C CG . ASP H 171 ? 0.6837 0.8164 0.5547 -0.0512 0.0015 -0.1179 186 ASP H CG 11970 O OD1 . ASP H 171 ? 0.7114 0.8279 0.5774 -0.0511 0.0104 -0.1176 186 ASP H OD1 11971 O OD2 . ASP H 171 ? 0.7298 0.8772 0.6002 -0.0476 -0.0058 -0.1168 186 ASP H OD2 11972 N N . PRO H 172 ? 0.5462 0.6507 0.4304 -0.0559 0.0181 -0.1130 187 PRO H N 11973 C CA . PRO H 172 ? 0.5356 0.6384 0.4246 -0.0540 0.0187 -0.1080 187 PRO H CA 11974 C C . PRO H 172 ? 0.5618 0.6772 0.4518 -0.0514 0.0077 -0.1029 187 PRO H C 11975 O O . PRO H 172 ? 0.5475 0.6687 0.4426 -0.0539 0.0043 -0.1048 187 PRO H O 11976 C CB . PRO H 172 ? 0.5648 0.6559 0.4499 -0.0469 0.0281 -0.0989 187 PRO H CB 11977 C CG . PRO H 172 ? 0.6282 0.7175 0.5054 -0.0435 0.0288 -0.0962 187 PRO H CG 11978 C CD . PRO H 172 ? 0.5774 0.6687 0.4548 -0.0508 0.0268 -0.1076 187 PRO H CD 11979 N N . GLN H 173 ? 0.5166 0.6358 0.4017 -0.0467 0.0033 -0.0968 188 GLN H N 11980 C CA . GLN H 173 ? 0.5048 0.6327 0.3901 -0.0447 -0.0040 -0.0924 188 GLN H CA 11981 C C . GLN H 173 ? 0.5349 0.6701 0.4175 -0.0429 -0.0089 -0.0923 188 GLN H C 11982 O O . GLN H 173 ? 0.5340 0.6667 0.4123 -0.0414 -0.0074 -0.0924 188 GLN H O 11983 C CB . GLN H 173 ? 0.5225 0.6494 0.4053 -0.0411 -0.0027 -0.0850 188 GLN H CB 11984 C CG . GLN H 173 ? 0.7750 0.9006 0.6615 -0.0414 -0.0004 -0.0837 188 GLN H CG 11985 C CD . GLN H 173 ? 1.0449 1.1749 0.9342 -0.0436 -0.0052 -0.0845 188 GLN H CD 11986 O OE1 . GLN H 173 ? 1.0046 1.1386 0.8919 -0.0436 -0.0076 -0.0822 188 GLN H OE1 11987 N NE2 . GLN H 173 ? 0.9237 1.0524 0.8176 -0.0459 -0.0052 -0.0878 188 GLN H NE2 11988 N N . PRO H 174 ? 0.4687 0.6123 0.3533 -0.0419 -0.0133 -0.0910 189 PRO H N 11989 C CA . PRO H 174 ? 0.4527 0.6037 0.3354 -0.0380 -0.0163 -0.0891 189 PRO H CA 11990 C C . PRO H 174 ? 0.4713 0.6180 0.3505 -0.0353 -0.0160 -0.0831 189 PRO H C 11991 O O . PRO H 174 ? 0.4674 0.6100 0.3464 -0.0369 -0.0145 -0.0806 189 PRO H O 11992 C CB . PRO H 174 ? 0.4725 0.6327 0.3589 -0.0361 -0.0176 -0.0876 189 PRO H CB 11993 C CG . PRO H 174 ? 0.5323 0.6899 0.4220 -0.0400 -0.0164 -0.0896 189 PRO H CG 11994 C CD . PRO H 174 ? 0.4822 0.6280 0.3706 -0.0427 -0.0141 -0.0898 189 PRO H CD 11995 N N . LEU H 175 ? 0.3977 0.5475 0.2742 -0.0315 -0.0174 -0.0811 190 LEU H N 11996 C CA . LEU H 175 ? 0.3778 0.5257 0.2514 -0.0295 -0.0172 -0.0755 190 LEU H CA 11997 C C . LEU H 175 ? 0.3982 0.5495 0.2746 -0.0273 -0.0169 -0.0724 190 LEU H C 11998 O O . LEU H 175 ? 0.3937 0.5507 0.2727 -0.0239 -0.0171 -0.0727 190 LEU H O 11999 C CB . LEU H 175 ? 0.3783 0.5250 0.2466 -0.0260 -0.0174 -0.0736 190 LEU H CB 12000 C CG . LEU H 175 ? 0.4332 0.5852 0.3008 -0.0225 -0.0194 -0.0761 190 LEU H CG 12001 C CD1 . LEU H 175 ? 0.4341 0.5924 0.3030 -0.0168 -0.0211 -0.0711 190 LEU H CD1 12002 C CD2 . LEU H 175 ? 0.4556 0.6017 0.3169 -0.0214 -0.0174 -0.0766 190 LEU H CD2 12003 N N . LYS H 176 ? 0.3317 0.4809 0.2076 -0.0293 -0.0150 -0.0696 191 LYS H N 12004 C CA . LYS H 176 ? 0.3200 0.4685 0.1987 -0.0285 -0.0114 -0.0673 191 LYS H CA 12005 C C . LYS H 176 ? 0.3629 0.5145 0.2410 -0.0222 -0.0120 -0.0632 191 LYS H C 12006 O O . LYS H 176 ? 0.3646 0.5174 0.2392 -0.0218 -0.0142 -0.0614 191 LYS H O 12007 C CB . LYS H 176 ? 0.3509 0.4979 0.2297 -0.0356 -0.0082 -0.0684 191 LYS H CB 12008 C CG . LYS H 176 ? 0.4578 0.6022 0.3377 -0.0410 -0.0066 -0.0722 191 LYS H CG 12009 C CD . LYS H 176 ? 0.5764 0.7213 0.4567 -0.0488 -0.0020 -0.0751 191 LYS H CD 12010 C CE . LYS H 176 ? 0.7457 0.8858 0.6273 -0.0532 0.0014 -0.0788 191 LYS H CE 12011 N NZ . LYS H 176 ? 0.8935 1.0312 0.7759 -0.0615 0.0088 -0.0833 191 LYS H NZ 12012 N N . GLU H 177 ? 0.3132 0.4674 0.1944 -0.0157 -0.0093 -0.0606 192 GLU H N 12013 C CA . GLU H 177 ? 0.3096 0.4681 0.1910 -0.0077 -0.0089 -0.0557 192 GLU H CA 12014 C C . GLU H 177 ? 0.3671 0.5200 0.2496 -0.0101 -0.0045 -0.0529 192 GLU H C 12015 O O . GLU H 177 ? 0.3624 0.5174 0.2431 -0.0068 -0.0065 -0.0496 192 GLU H O 12016 C CB . GLU H 177 ? 0.3268 0.4933 0.2120 0.0016 -0.0051 -0.0521 192 GLU H CB 12017 C CG . GLU H 177 ? 0.4245 0.6036 0.3089 0.0037 -0.0102 -0.0557 192 GLU H CG 12018 C CD . GLU H 177 ? 0.6775 0.8715 0.5653 0.0132 -0.0064 -0.0516 192 GLU H CD 12019 O OE1 . GLU H 177 ? 0.6095 0.8200 0.4967 0.0148 -0.0111 -0.0554 192 GLU H OE1 12020 O OE2 . GLU H 177 ? 0.6073 0.7981 0.4984 0.0191 0.0026 -0.0446 192 GLU H OE2 12021 N N . GLN H 178 ? 0.3312 0.4771 0.2163 -0.0167 0.0022 -0.0549 193 GLN H N 12022 C CA . GLN H 178 ? 0.3312 0.4730 0.2182 -0.0225 0.0082 -0.0552 193 GLN H CA 12023 C C . GLN H 178 ? 0.3805 0.5232 0.2656 -0.0347 0.0072 -0.0617 193 GLN H C 12024 O O . GLN H 178 ? 0.3858 0.5222 0.2729 -0.0409 0.0138 -0.0659 193 GLN H O 12025 C CB . GLN H 178 ? 0.3517 0.4848 0.2441 -0.0193 0.0209 -0.0525 193 GLN H CB 12026 C CG . GLN H 178 ? 0.3732 0.5100 0.2679 -0.0046 0.0230 -0.0442 193 GLN H CG 12027 C CD . GLN H 178 ? 0.5067 0.6487 0.4008 -0.0001 0.0187 -0.0404 193 GLN H CD 12028 O OE1 . GLN H 178 ? 0.4603 0.6006 0.3540 -0.0075 0.0187 -0.0422 193 GLN H OE1 12029 N NE2 . GLN H 178 ? 0.3898 0.5404 0.2836 0.0123 0.0151 -0.0349 193 GLN H NE2 12030 N N . PRO H 179 ? 0.3314 0.4828 0.2121 -0.0371 0.0000 -0.0619 194 PRO H N 12031 C CA . PRO H 179 ? 0.3289 0.4869 0.2077 -0.0463 -0.0009 -0.0668 194 PRO H CA 12032 C C . PRO H 179 ? 0.3960 0.5564 0.2775 -0.0574 0.0060 -0.0727 194 PRO H C 12033 O O . PRO H 179 ? 0.4043 0.5692 0.2852 -0.0650 0.0069 -0.0783 194 PRO H O 12034 C CB . PRO H 179 ? 0.3447 0.5137 0.2184 -0.0436 -0.0069 -0.0627 194 PRO H CB 12035 C CG . PRO H 179 ? 0.3982 0.5616 0.2701 -0.0336 -0.0103 -0.0578 194 PRO H CG 12036 C CD . PRO H 179 ? 0.3422 0.4988 0.2188 -0.0302 -0.0063 -0.0568 194 PRO H CD 12037 N N . ALA H 180 ? 0.3541 0.5123 0.2386 -0.0589 0.0118 -0.0721 195 ALA H N 12038 C CA . ALA H 180 ? 0.3568 0.5166 0.2446 -0.0715 0.0207 -0.0796 195 ALA H CA 12039 C C . ALA H 180 ? 0.4049 0.5481 0.2959 -0.0759 0.0316 -0.0849 195 ALA H C 12040 O O . ALA H 180 ? 0.4141 0.5576 0.3067 -0.0889 0.0399 -0.0940 195 ALA H O 12041 C CB . ALA H 180 ? 0.3702 0.5302 0.2612 -0.0711 0.0251 -0.0769 195 ALA H CB 12042 N N . LEU H 181 ? 0.3557 0.4861 0.2472 -0.0655 0.0327 -0.0795 196 LEU H N 12043 C CA . LEU H 181 ? 0.3592 0.4738 0.2526 -0.0667 0.0441 -0.0817 196 LEU H CA 12044 C C . LEU H 181 ? 0.4031 0.5194 0.2933 -0.0682 0.0384 -0.0843 196 LEU H C 12045 O O . LEU H 181 ? 0.3746 0.4985 0.2625 -0.0615 0.0272 -0.0805 196 LEU H O 12046 C CB . LEU H 181 ? 0.3589 0.4624 0.2552 -0.0528 0.0513 -0.0724 196 LEU H CB 12047 C CG . LEU H 181 ? 0.4193 0.5159 0.3202 -0.0504 0.0625 -0.0693 196 LEU H CG 12048 C CD1 . LEU H 181 ? 0.4199 0.5153 0.3229 -0.0325 0.0646 -0.0575 196 LEU H CD1 12049 C CD2 . LEU H 181 ? 0.4575 0.5375 0.3616 -0.0605 0.0816 -0.0756 196 LEU H CD2 12050 N N . ASN H 182 ? 0.3747 0.4834 0.2648 -0.0777 0.0471 -0.0915 197 ASN H N 12051 C CA . ASN H 182 ? 0.3722 0.4821 0.2596 -0.0796 0.0429 -0.0942 197 ASN H CA 12052 C C . ASN H 182 ? 0.4251 0.5265 0.3124 -0.0676 0.0423 -0.0864 197 ASN H C 12053 O O . ASN H 182 ? 0.4050 0.5125 0.2906 -0.0653 0.0333 -0.0857 197 ASN H O 12054 C CB . ASN H 182 ? 0.3989 0.5029 0.2857 -0.0929 0.0533 -0.1044 197 ASN H CB 12055 C CG . ASN H 182 ? 0.6715 0.7764 0.5555 -0.0940 0.0495 -0.1066 197 ASN H CG 12056 O OD1 . ASN H 182 ? 0.6399 0.7592 0.5225 -0.0914 0.0372 -0.1053 197 ASN H OD1 12057 N ND2 . ASN H 182 ? 0.5103 0.5980 0.3936 -0.0958 0.0613 -0.1083 197 ASN H ND2 12058 N N . ASP H 183 ? 0.3948 0.4842 0.2841 -0.0598 0.0529 -0.0801 198 ASP H N 12059 C CA . ASP H 183 ? 0.3935 0.4818 0.2825 -0.0482 0.0521 -0.0723 198 ASP H CA 12060 C C . ASP H 183 ? 0.4223 0.5212 0.3130 -0.0361 0.0457 -0.0646 198 ASP H C 12061 O O . ASP H 183 ? 0.4249 0.5240 0.3169 -0.0247 0.0517 -0.0564 198 ASP H O 12062 C CB . ASP H 183 ? 0.4394 0.5109 0.3283 -0.0454 0.0694 -0.0688 198 ASP H CB 12063 C CG . ASP H 183 ? 0.6392 0.7033 0.5251 -0.0526 0.0720 -0.0738 198 ASP H CG 12064 O OD1 . ASP H 183 ? 0.6204 0.6944 0.5049 -0.0584 0.0592 -0.0793 198 ASP H OD1 12065 O OD2 . ASP H 183 ? 0.7794 0.8272 0.6639 -0.0511 0.0879 -0.0713 198 ASP H OD2 12066 N N . SER H 184 ? 0.3576 0.4672 0.2477 -0.0382 0.0341 -0.0669 199 SER H N 12067 C CA . SER H 184 ? 0.3414 0.4613 0.2319 -0.0290 0.0269 -0.0619 199 SER H CA 12068 C C . SER H 184 ? 0.3789 0.5082 0.2692 -0.0208 0.0211 -0.0586 199 SER H C 12069 O O . SER H 184 ? 0.3775 0.5081 0.2666 -0.0247 0.0163 -0.0620 199 SER H O 12070 C CB . SER H 184 ? 0.3704 0.4980 0.2587 -0.0340 0.0166 -0.0654 199 SER H CB 12071 O OG . SER H 184 ? 0.4831 0.6190 0.3706 -0.0257 0.0098 -0.0614 199 SER H OG 12072 N N . ARG H 185 ? 0.3149 0.4533 0.2067 -0.0096 0.0216 -0.0524 200 ARG H N 12073 C CA . ARG H 185 ? 0.2962 0.4500 0.1879 -0.0029 0.0157 -0.0508 200 ARG H CA 12074 C C . ARG H 185 ? 0.3334 0.4933 0.2228 -0.0082 0.0035 -0.0572 200 ARG H C 12075 O O . ARG H 185 ? 0.3258 0.4813 0.2134 -0.0117 0.0004 -0.0590 200 ARG H O 12076 C CB . ARG H 185 ? 0.2709 0.4377 0.1648 0.0111 0.0207 -0.0424 200 ARG H CB 12077 C CG . ARG H 185 ? 0.3363 0.5007 0.2320 0.0191 0.0345 -0.0342 200 ARG H CG 12078 C CD . ARG H 185 ? 0.3597 0.5267 0.2582 0.0322 0.0456 -0.0244 200 ARG H CD 12079 N NE . ARG H 185 ? 0.4095 0.6036 0.3091 0.0467 0.0449 -0.0171 200 ARG H NE 12080 C CZ . ARG H 185 ? 0.5746 0.7772 0.4768 0.0629 0.0578 -0.0049 200 ARG H CZ 12081 N NH1 . ARG H 185 ? 0.3995 0.5809 0.3038 0.0660 0.0740 0.0011 200 ARG H NH1 12082 N NH2 . ARG H 185 ? 0.4233 0.6574 0.3263 0.0761 0.0560 0.0013 200 ARG H NH2 12083 N N . TYR H 186 ? 0.2802 0.4492 0.1694 -0.0091 -0.0019 -0.0606 201 TYR H N 12084 C CA . TYR H 186 ? 0.2720 0.4429 0.1591 -0.0148 -0.0099 -0.0673 201 TYR H CA 12085 C C . TYR H 186 ? 0.3139 0.5009 0.2007 -0.0105 -0.0143 -0.0694 201 TYR H C 12086 O O . TYR H 186 ? 0.3063 0.5089 0.1950 -0.0027 -0.0126 -0.0659 201 TYR H O 12087 C CB . TYR H 186 ? 0.2843 0.4522 0.1722 -0.0213 -0.0113 -0.0718 201 TYR H CB 12088 C CG . TYR H 186 ? 0.2995 0.4537 0.1870 -0.0267 -0.0080 -0.0715 201 TYR H CG 12089 C CD1 . TYR H 186 ? 0.3259 0.4734 0.2114 -0.0324 -0.0100 -0.0743 201 TYR H CD1 12090 C CD2 . TYR H 186 ? 0.3093 0.4597 0.1983 -0.0257 -0.0020 -0.0685 201 TYR H CD2 12091 C CE1 . TYR H 186 ? 0.3380 0.4784 0.2232 -0.0376 -0.0073 -0.0751 201 TYR H CE1 12092 C CE2 . TYR H 186 ? 0.3238 0.4626 0.2120 -0.0318 0.0014 -0.0700 201 TYR H CE2 12093 C CZ . TYR H 186 ? 0.4215 0.5572 0.3081 -0.0381 -0.0019 -0.0740 201 TYR H CZ 12094 O OH . TYR H 186 ? 0.4697 0.5994 0.3555 -0.0442 0.0012 -0.0765 201 TYR H OH 12095 N N . ALA H 187 ? 0.2760 0.4602 0.1600 -0.0154 -0.0187 -0.0752 202 ALA H N 12096 C CA . ALA H 187 ? 0.2806 0.4773 0.1633 -0.0147 -0.0221 -0.0805 202 ALA H CA 12097 C C . ALA H 187 ? 0.3389 0.5293 0.2204 -0.0237 -0.0229 -0.0891 202 ALA H C 12098 O O . ALA H 187 ? 0.3384 0.5130 0.2184 -0.0279 -0.0213 -0.0887 202 ALA H O 12099 C CB . ALA H 187 ? 0.2918 0.4869 0.1710 -0.0101 -0.0232 -0.0778 202 ALA H CB 12100 N N . LEU H 188 ? 0.3026 0.5075 0.1854 -0.0267 -0.0242 -0.0970 203 LEU H N 12101 C CA . LEU H 188 ? 0.3064 0.5055 0.1893 -0.0361 -0.0225 -0.1067 203 LEU H CA 12102 C C . LEU H 188 ? 0.3639 0.5760 0.2450 -0.0394 -0.0228 -0.1166 203 LEU H C 12103 O O . LEU H 188 ? 0.3539 0.5903 0.2363 -0.0352 -0.0259 -0.1175 203 LEU H O 12104 C CB . LEU H 188 ? 0.3047 0.5095 0.1929 -0.0402 -0.0221 -0.1087 203 LEU H CB 12105 C CG . LEU H 188 ? 0.3732 0.5679 0.2631 -0.0498 -0.0184 -0.1173 203 LEU H CG 12106 C CD1 . LEU H 188 ? 0.3738 0.5464 0.2632 -0.0498 -0.0154 -0.1115 203 LEU H CD1 12107 C CD2 . LEU H 188 ? 0.4109 0.6231 0.3064 -0.0540 -0.0193 -0.1223 203 LEU H CD2 12108 N N . SER H 189 ? 0.3387 0.5356 0.2166 -0.0463 -0.0182 -0.1239 204 SER H N 12109 C CA . SER H 189 ? 0.3502 0.5555 0.2257 -0.0520 -0.0161 -0.1360 204 SER H CA 12110 C C . SER H 189 ? 0.4145 0.6138 0.2926 -0.0646 -0.0094 -0.1487 204 SER H C 12111 O O . SER H 189 ? 0.4134 0.5915 0.2926 -0.0670 -0.0040 -0.1462 204 SER H O 12112 C CB . SER H 189 ? 0.4135 0.6036 0.2813 -0.0484 -0.0135 -0.1333 204 SER H CB 12113 O OG . SER H 189 ? 0.5743 0.7377 0.4386 -0.0526 -0.0047 -0.1340 204 SER H OG 12114 N N . SER H 190 ? 0.3822 0.6021 0.2617 -0.0727 -0.0090 -0.1628 205 SER H N 12115 C CA . SER H 190 ? 0.3871 0.6034 0.2697 -0.0870 -0.0010 -0.1780 205 SER H CA 12116 C C . SER H 190 ? 0.4427 0.6646 0.3211 -0.0956 0.0042 -0.1935 205 SER H C 12117 O O . SER H 190 ? 0.4279 0.6725 0.3034 -0.0914 -0.0020 -0.1948 205 SER H O 12118 C CB . SER H 190 ? 0.4217 0.6641 0.3124 -0.0917 -0.0052 -0.1824 205 SER H CB 12119 O OG . SER H 190 ? 0.5433 0.7795 0.4381 -0.1063 0.0035 -0.1968 205 SER H OG 12120 N N . ARG H 191 ? 0.4239 0.6241 0.3019 -0.1075 0.0170 -0.2052 206 ARG H N 12121 C CA . ARG H 191 ? 0.4437 0.6412 0.3169 -0.1184 0.0262 -0.2220 206 ARG H CA 12122 C C . ARG H 191 ? 0.5003 0.7095 0.3799 -0.1369 0.0337 -0.2429 206 ARG H C 12123 O O . ARG H 191 ? 0.4986 0.6941 0.3844 -0.1420 0.0399 -0.2432 206 ARG H O 12124 C CB . ARG H 191 ? 0.4662 0.6208 0.3315 -0.1158 0.0402 -0.2171 206 ARG H CB 12125 C CG . ARG H 191 ? 0.5568 0.7009 0.4142 -0.0996 0.0347 -0.1990 206 ARG H CG 12126 C CD . ARG H 191 ? 0.5522 0.6911 0.4126 -0.0875 0.0275 -0.1798 206 ARG H CD 12127 N NE . ARG H 191 ? 0.5190 0.6288 0.3729 -0.0786 0.0348 -0.1659 206 ARG H NE 12128 C CZ . ARG H 191 ? 0.6505 0.7557 0.5057 -0.0688 0.0300 -0.1501 206 ARG H CZ 12129 N NH1 . ARG H 191 ? 0.5405 0.6252 0.3898 -0.0609 0.0372 -0.1380 206 ARG H NH1 12130 N NH2 . ARG H 191 ? 0.4550 0.5777 0.3173 -0.0671 0.0191 -0.1464 206 ARG H NH2 12131 N N . LEU H 192 ? 0.4575 0.6939 0.3359 -0.1474 0.0335 -0.2609 207 LEU H N 12132 C CA . LEU H 192 ? 0.4642 0.7152 0.3479 -0.1684 0.0422 -0.2852 207 LEU H CA 12133 C C . LEU H 192 ? 0.5224 0.7603 0.3981 -0.1789 0.0548 -0.3019 207 LEU H C 12134 O O . LEU H 192 ? 0.5064 0.7681 0.3767 -0.1755 0.0475 -0.3052 207 LEU H O 12135 C CB . LEU H 192 ? 0.4533 0.7615 0.3441 -0.1724 0.0292 -0.2927 207 LEU H CB 12136 C CG . LEU H 192 ? 0.5338 0.8720 0.4287 -0.1957 0.0360 -0.3218 207 LEU H CG 12137 C CD1 . LEU H 192 ? 0.5494 0.8664 0.4521 -0.2119 0.0495 -0.3329 207 LEU H CD1 12138 C CD2 . LEU H 192 ? 0.5550 0.9577 0.4545 -0.1947 0.0215 -0.3253 207 LEU H CD2 12139 N N . ARG H 193 ? 0.5040 0.7012 0.3785 -0.1896 0.0751 -0.3105 208 ARG H N 12140 C CA . ARG H 193 ? 0.5267 0.7049 0.3930 -0.2011 0.0916 -0.3275 208 ARG H CA 12141 C C . ARG H 193 ? 0.6102 0.8070 0.4829 -0.2271 0.1020 -0.3577 208 ARG H C 12142 O O . ARG H 193 ? 0.6090 0.8001 0.4911 -0.2366 0.1090 -0.3627 208 ARG H O 12143 C CB . ARG H 193 ? 0.5182 0.6384 0.3778 -0.1948 0.1110 -0.3164 208 ARG H CB 12144 C CG . ARG H 193 ? 0.5613 0.6601 0.4085 -0.1983 0.1249 -0.3252 208 ARG H CG 12145 C CD . ARG H 193 ? 0.4935 0.5423 0.3319 -0.1837 0.1393 -0.3052 208 ARG H CD 12146 N NE . ARG H 193 ? 0.5195 0.5516 0.3445 -0.1829 0.1492 -0.3092 208 ARG H NE 12147 C CZ . ARG H 193 ? 0.6844 0.6765 0.4991 -0.1702 0.1633 -0.2930 208 ARG H CZ 12148 N NH1 . ARG H 193 ? 0.5149 0.4939 0.3170 -0.1698 0.1719 -0.2971 208 ARG H NH1 12149 N NH2 . ARG H 193 ? 0.4823 0.4497 0.2987 -0.1569 0.1691 -0.2718 208 ARG H NH2 12150 N N . VAL H 194 ? 0.5888 0.8121 0.4569 -0.2388 0.1023 -0.3782 209 VAL H N 12151 C CA . VAL H 194 ? 0.6074 0.8570 0.4809 -0.2661 0.1115 -0.4107 209 VAL H CA 12152 C C . VAL H 194 ? 0.7016 0.9308 0.5648 -0.2798 0.1300 -0.4313 209 VAL H C 12153 O O . VAL H 194 ? 0.7014 0.8993 0.5533 -0.2658 0.1334 -0.4178 209 VAL H O 12154 C CB . VAL H 194 ? 0.6321 0.9551 0.5124 -0.2692 0.0904 -0.4187 209 VAL H CB 12155 C CG1 . VAL H 194 ? 0.6036 0.9436 0.4950 -0.2624 0.0789 -0.4047 209 VAL H CG1 12156 C CG2 . VAL H 194 ? 0.6113 0.9655 0.4839 -0.2515 0.0727 -0.4074 209 VAL H CG2 12157 N N . SER H 195 ? 0.6900 0.9366 0.5568 -0.3076 0.1428 -0.4643 210 SER H N 12158 C CA . SER H 195 ? 0.7236 0.9535 0.5803 -0.3234 0.1616 -0.4875 210 SER H CA 12159 C C . SER H 195 ? 0.7594 1.0390 0.6093 -0.3178 0.1431 -0.4916 210 SER H C 12160 O O . SER H 195 ? 0.7212 1.0590 0.5774 -0.3108 0.1198 -0.4867 210 SER H O 12161 C CB . SER H 195 ? 0.8095 1.0424 0.6732 -0.3571 0.1830 -0.5235 210 SER H CB 12162 O OG . SER H 195 ? 0.9320 1.2364 0.8012 -0.3739 0.1696 -0.5477 210 SER H OG 12163 N N . ALA H 196 ? 0.7416 0.9982 0.5783 -0.3196 0.1548 -0.4994 211 ALA H N 12164 C CA . ALA H 196 ? 0.7334 1.0322 0.5622 -0.3145 0.1406 -0.5047 211 ALA H CA 12165 C C . ALA H 196 ? 0.7846 1.1563 0.6209 -0.3360 0.1326 -0.5349 211 ALA H C 12166 O O . ALA H 196 ? 0.7528 1.1838 0.5906 -0.3240 0.1098 -0.5287 211 ALA H O 12167 C CB . ALA H 196 ? 0.7753 1.0302 0.5889 -0.3180 0.1603 -0.5127 211 ALA H CB 12168 N N . THR H 197 ? 0.7739 1.1426 0.6155 -0.3671 0.1524 -0.5666 212 THR H N 12169 C CA . THR H 197 ? 0.7800 1.2180 0.6295 -0.3925 0.1486 -0.5995 212 THR H CA 12170 C C . THR H 197 ? 0.7894 1.2863 0.6519 -0.3825 0.1242 -0.5860 212 THR H C 12171 O O . THR H 197 ? 0.7802 1.3530 0.6462 -0.3877 0.1096 -0.5991 212 THR H O 12172 C CB . THR H 197 ? 0.9111 1.3228 0.7649 -0.4280 0.1780 -0.6339 212 THR H CB 12173 O OG1 . THR H 197 ? 0.9118 1.2709 0.7731 -0.4244 0.1892 -0.6183 212 THR H OG1 12174 C CG2 . THR H 197 ? 0.9162 1.2845 0.7565 -0.4431 0.2039 -0.6553 212 THR H CG2 12175 N N . PHE H 198 ? 0.7176 1.1814 0.5867 -0.3672 0.1208 -0.5592 213 PHE H N 12176 C CA . PHE H 198 ? 0.6740 1.1840 0.5543 -0.3558 0.1001 -0.5431 213 PHE H CA 12177 C C . PHE H 198 ? 0.6767 1.2264 0.5533 -0.3262 0.0749 -0.5174 213 PHE H C 12178 O O . PHE H 198 ? 0.6531 1.2726 0.5359 -0.3237 0.0589 -0.5184 213 PHE H O 12179 C CB . PHE H 198 ? 0.6868 1.1465 0.5741 -0.3480 0.1052 -0.5226 213 PHE H CB 12180 C CG . PHE H 198 ? 0.6842 1.1910 0.5842 -0.3464 0.0904 -0.5163 213 PHE H CG 12181 C CD1 . PHE H 198 ? 0.7397 1.2729 0.6503 -0.3734 0.0990 -0.5423 213 PHE H CD1 12182 C CD2 . PHE H 198 ? 0.6762 1.2019 0.5775 -0.3183 0.0691 -0.4847 213 PHE H CD2 12183 C CE1 . PHE H 198 ? 0.7305 1.3095 0.6522 -0.3710 0.0854 -0.5351 213 PHE H CE1 12184 C CE2 . PHE H 198 ? 0.6937 1.2629 0.6055 -0.3159 0.0569 -0.4779 213 PHE H CE2 12185 C CZ . PHE H 198 ? 0.6836 1.2794 0.6054 -0.3415 0.0646 -0.5023 213 PHE H CZ 12186 N N . TRP H 199 ? 0.6152 1.1224 0.4818 -0.3037 0.0727 -0.4939 214 TRP H N 12187 C CA . TRP H 199 ? 0.5807 1.1190 0.4437 -0.2754 0.0517 -0.4693 214 TRP H CA 12188 C C . TRP H 199 ? 0.6361 1.2358 0.4946 -0.2801 0.0453 -0.4878 214 TRP H C 12189 O O . TRP H 199 ? 0.6066 1.2659 0.4684 -0.2645 0.0276 -0.4769 214 TRP H O 12190 C CB . TRP H 199 ? 0.5539 1.0308 0.4079 -0.2526 0.0526 -0.4417 214 TRP H CB 12191 C CG . TRP H 199 ? 0.5413 1.0454 0.3901 -0.2275 0.0358 -0.4223 214 TRP H CG 12192 C CD1 . TRP H 199 ? 0.5865 1.0857 0.4244 -0.2220 0.0371 -0.4246 214 TRP H CD1 12193 C CD2 . TRP H 199 ? 0.5058 1.0488 0.3604 -0.2049 0.0167 -0.3986 214 TRP H CD2 12194 N NE1 . TRP H 199 ? 0.5531 1.0852 0.3905 -0.1968 0.0196 -0.4033 214 TRP H NE1 12195 C CE2 . TRP H 199 ? 0.5437 1.1026 0.3914 -0.1860 0.0079 -0.3872 214 TRP H CE2 12196 C CE3 . TRP H 199 ? 0.4996 1.0634 0.3644 -0.1980 0.0078 -0.3852 214 TRP H CE3 12197 C CZ2 . TRP H 199 ? 0.5049 1.0988 0.3562 -0.1608 -0.0079 -0.3631 214 TRP H CZ2 12198 C CZ3 . TRP H 199 ? 0.4895 1.0872 0.3569 -0.1733 -0.0075 -0.3614 214 TRP H CZ3 12199 C CH2 . TRP H 199 ? 0.4900 1.1018 0.3509 -0.1551 -0.0145 -0.3507 214 TRP H CH2 12200 N N . GLN H 200 ? 0.6209 1.2064 0.4716 -0.3005 0.0609 -0.5152 215 GLN H N 12201 C CA . GLN H 200 ? 0.6245 1.2654 0.4696 -0.3065 0.0566 -0.5353 215 GLN H CA 12202 C C . GLN H 200 ? 0.6871 1.4136 0.5419 -0.3239 0.0496 -0.5591 215 GLN H C 12203 O O . GLN H 200 ? 0.6845 1.4729 0.5364 -0.3257 0.0426 -0.5733 215 GLN H O 12204 C CB . GLN H 200 ? 0.6757 1.2729 0.5093 -0.3251 0.0777 -0.5589 215 GLN H CB 12205 C CG . GLN H 200 ? 0.8095 1.3463 0.6308 -0.3021 0.0798 -0.5338 215 GLN H CG 12206 C CD . GLN H 200 ? 1.0770 1.5473 0.8871 -0.3181 0.1060 -0.5495 215 GLN H CD 12207 O OE1 . GLN H 200 ? 1.0641 1.5193 0.8761 -0.3472 0.1265 -0.5784 215 GLN H OE1 12208 N NE2 . GLN H 200 ? 0.9403 1.3673 0.7385 -0.2986 0.1077 -0.5294 215 GLN H NE2 12209 N N . ASN H 201 ? 0.6532 1.3866 0.5196 -0.3349 0.0509 -0.5617 216 ASN H N 12210 C CA . ASN H 201 ? 0.6555 1.4701 0.5321 -0.3502 0.0441 -0.5805 216 ASN H CA 12211 C C . ASN H 201 ? 0.6951 1.5676 0.5762 -0.3196 0.0210 -0.5505 216 ASN H C 12212 O O . ASN H 201 ? 0.6703 1.5125 0.5553 -0.2998 0.0148 -0.5205 216 ASN H O 12213 C CB . ASN H 201 ? 0.6534 1.4455 0.5402 -0.3738 0.0566 -0.5941 216 ASN H CB 12214 C CG . ASN H 201 ? 0.8901 1.7631 0.7872 -0.3965 0.0537 -0.6202 216 ASN H CG 12215 O OD1 . ASN H 201 ? 0.8477 1.7896 0.7430 -0.4077 0.0499 -0.6430 216 ASN H OD1 12216 N ND2 . ASN H 201 ? 0.7536 1.6207 0.6617 -0.4052 0.0564 -0.6187 216 ASN H ND2 12217 N N . PRO H 202 ? 0.6625 1.6179 0.5428 -0.3141 0.0095 -0.5572 217 PRO H N 12218 C CA . PRO H 202 ? 0.6323 1.6409 0.5163 -0.2820 -0.0091 -0.5263 217 PRO H CA 12219 C C . PRO H 202 ? 0.6756 1.7315 0.5714 -0.2839 -0.0149 -0.5215 217 PRO H C 12220 O O . PRO H 202 ? 0.6425 1.7346 0.5414 -0.2566 -0.0273 -0.4932 217 PRO H O 12221 C CB . PRO H 202 ? 0.6579 1.7421 0.5372 -0.2777 -0.0160 -0.5383 217 PRO H CB 12222 C CG . PRO H 202 ? 0.7478 1.8049 0.6190 -0.3054 -0.0017 -0.5728 217 PRO H CG 12223 C CD . PRO H 202 ? 0.7102 1.7146 0.5857 -0.3351 0.0143 -0.5921 217 PRO H CD 12224 N N . ARG H 203 ? 0.6578 1.7119 0.5600 -0.3158 -0.0045 -0.5486 218 ARG H N 12225 C CA . ARG H 203 ? 0.6487 1.7442 0.5622 -0.3226 -0.0079 -0.5483 218 ARG H CA 12226 C C . ARG H 203 ? 0.6831 1.7149 0.6003 -0.3063 -0.0088 -0.5175 218 ARG H C 12227 O O . ARG H 203 ? 0.6688 1.7340 0.5940 -0.3003 -0.0152 -0.5052 218 ARG H O 12228 C CB . ARG H 203 ? 0.6853 1.7935 0.6045 -0.3648 0.0059 -0.5903 218 ARG H CB 12229 C CG . ARG H 203 ? 0.8502 2.0041 0.7647 -0.3886 0.0118 -0.6281 218 ARG H CG 12230 C CD . ARG H 203 ? 0.9797 2.2510 0.8981 -0.3872 -0.0009 -0.6363 218 ARG H CD 12231 N NE . ARG H 203 ? 1.1372 2.4598 1.0651 -0.4222 0.0058 -0.6701 218 ARG H NE 12232 C CZ . ARG H 203 ? 1.3265 2.7414 1.2625 -0.4205 -0.0047 -0.6689 218 ARG H CZ 12233 N NH1 . ARG H 203 ? 1.1839 2.6433 1.1288 -0.4549 0.0024 -0.7017 218 ARG H NH1 12234 N NH2 . ARG H 203 ? 1.1453 2.6097 1.0808 -0.3840 -0.0209 -0.6344 218 ARG H NH2 12235 N N . ASN H 204 ? 0.6354 1.5779 0.5467 -0.2996 -0.0018 -0.5056 219 ASN H N 12236 C CA . ASN H 204 ? 0.6194 1.4970 0.5333 -0.2863 -0.0010 -0.4791 219 ASN H CA 12237 C C . ASN H 204 ? 0.6409 1.5174 0.5521 -0.2492 -0.0146 -0.4402 219 ASN H C 12238 O O . ASN H 204 ? 0.6309 1.5065 0.5345 -0.2324 -0.0191 -0.4303 219 ASN H O 12239 C CB . ASN H 204 ? 0.6319 1.4193 0.5411 -0.2976 0.0149 -0.4856 219 ASN H CB 12240 C CG . ASN H 204 ? 0.8381 1.6151 0.7514 -0.3339 0.0326 -0.5216 219 ASN H CG 12241 O OD1 . ASN H 204 ? 0.7769 1.5949 0.6999 -0.3513 0.0334 -0.5368 219 ASN H OD1 12242 N ND2 . ASN H 204 ? 0.7204 1.4411 0.6265 -0.3462 0.0488 -0.5359 219 ASN H ND2 12243 N N . HIS H 205 ? 0.5781 1.4555 0.4957 -0.2372 -0.0199 -0.4190 220 HIS H N 12244 C CA . HIS H 205 ? 0.5502 1.4237 0.4666 -0.2043 -0.0298 -0.3825 220 HIS H CA 12245 C C . HIS H 205 ? 0.5843 1.3778 0.5009 -0.1984 -0.0256 -0.3648 220 HIS H C 12246 O O . HIS H 205 ? 0.5802 1.3553 0.5030 -0.2116 -0.0206 -0.3699 220 HIS H O 12247 C CB . HIS H 205 ? 0.5467 1.4937 0.4696 -0.1940 -0.0380 -0.3719 220 HIS H CB 12248 C CG . HIS H 205 ? 0.5677 1.5102 0.4896 -0.1610 -0.0448 -0.3350 220 HIS H CG 12249 N ND1 . HIS H 205 ? 0.5796 1.4989 0.5059 -0.1538 -0.0449 -0.3167 220 HIS H ND1 12250 C CD2 . HIS H 205 ? 0.5786 1.5370 0.4959 -0.1346 -0.0499 -0.3147 220 HIS H CD2 12251 C CE1 . HIS H 205 ? 0.5562 1.4764 0.4799 -0.1245 -0.0491 -0.2869 220 HIS H CE1 12252 N NE2 . HIS H 205 ? 0.5593 1.5024 0.4780 -0.1118 -0.0517 -0.2843 220 HIS H NE2 12253 N N . PHE H 206 ? 0.5266 1.2748 0.4364 -0.1788 -0.0273 -0.3445 221 PHE H N 12254 C CA . PHE H 206 ? 0.5151 1.1910 0.4238 -0.1708 -0.0240 -0.3263 221 PHE H CA 12255 C C . PHE H 206 ? 0.5366 1.2171 0.4457 -0.1429 -0.0326 -0.2946 221 PHE H C 12256 O O . PHE H 206 ? 0.5200 1.2255 0.4254 -0.1248 -0.0383 -0.2828 221 PHE H O 12257 C CB . PHE H 206 ? 0.5471 1.1664 0.4474 -0.1721 -0.0173 -0.3292 221 PHE H CB 12258 C CG . PHE H 206 ? 0.5897 1.2021 0.4877 -0.1981 -0.0059 -0.3602 221 PHE H CG 12259 C CD1 . PHE H 206 ? 0.6339 1.2890 0.5278 -0.2044 -0.0071 -0.3778 221 PHE H CD1 12260 C CD2 . PHE H 206 ? 0.6330 1.1961 0.5329 -0.2160 0.0077 -0.3718 221 PHE H CD2 12261 C CE1 . PHE H 206 ? 0.6720 1.3194 0.5634 -0.2302 0.0054 -0.4084 221 PHE H CE1 12262 C CE2 . PHE H 206 ? 0.6951 1.2484 0.5928 -0.2406 0.0217 -0.4009 221 PHE H CE2 12263 C CZ . PHE H 206 ? 0.6782 1.2729 0.5714 -0.2485 0.0206 -0.4199 221 PHE H CZ 12264 N N . ARG H 207 ? 0.4885 1.1454 0.4022 -0.1392 -0.0323 -0.2810 222 ARG H N 12265 C CA . ARG H 207 ? 0.4706 1.1271 0.3843 -0.1145 -0.0377 -0.2521 222 ARG H CA 12266 C C . ARG H 207 ? 0.5054 1.0974 0.4192 -0.1113 -0.0345 -0.2385 222 ARG H C 12267 O O . ARG H 207 ? 0.4978 1.0742 0.4164 -0.1234 -0.0309 -0.2442 222 ARG H O 12268 C CB . ARG H 207 ? 0.4757 1.1933 0.3951 -0.1089 -0.0417 -0.2463 222 ARG H CB 12269 C CG . ARG H 207 ? 0.5763 1.2918 0.4953 -0.0833 -0.0439 -0.2160 222 ARG H CG 12270 C CD . ARG H 207 ? 0.7061 1.4795 0.6299 -0.0775 -0.0455 -0.2091 222 ARG H CD 12271 N NE . ARG H 207 ? 0.8363 1.6022 0.7657 -0.0947 -0.0438 -0.2187 222 ARG H NE 12272 C CZ . ARG H 207 ? 0.9729 1.7136 0.9041 -0.0880 -0.0423 -0.2027 222 ARG H CZ 12273 N NH1 . ARG H 207 ? 0.7953 1.5313 0.7321 -0.1039 -0.0406 -0.2125 222 ARG H NH1 12274 N NH2 . ARG H 207 ? 0.7833 1.5034 0.7111 -0.0656 -0.0415 -0.1774 222 ARG H NH2 12275 N N . CYS H 208 ? 0.4615 1.0191 0.3703 -0.0950 -0.0356 -0.2208 223 CYS H N 12276 C CA . CYS H 208 ? 0.4560 0.9587 0.3642 -0.0899 -0.0333 -0.2066 223 CYS H CA 12277 C C . CYS H 208 ? 0.4780 0.9940 0.3892 -0.0751 -0.0360 -0.1869 223 CYS H C 12278 O O . CYS H 208 ? 0.4637 1.0049 0.3735 -0.0579 -0.0385 -0.1730 223 CYS H O 12279 C CB . CYS H 208 ? 0.4622 0.9257 0.3638 -0.0810 -0.0326 -0.1980 223 CYS H CB 12280 S SG . CYS H 208 ? 0.5076 0.9167 0.4084 -0.0719 -0.0309 -0.1785 223 CYS H SG 12281 N N . GLN H 209 ? 0.4276 0.9257 0.3428 -0.0810 -0.0339 -0.1851 224 GLN H N 12282 C CA . GLN H 209 ? 0.4165 0.9230 0.3339 -0.0684 -0.0349 -0.1672 224 GLN H CA 12283 C C . GLN H 209 ? 0.4635 0.9165 0.3792 -0.0629 -0.0325 -0.1541 224 GLN H C 12284 O O . GLN H 209 ? 0.4696 0.8870 0.3861 -0.0740 -0.0298 -0.1614 224 GLN H O 12285 C CB . GLN H 209 ? 0.4368 0.9743 0.3604 -0.0786 -0.0348 -0.1749 224 GLN H CB 12286 C CG . GLN H 209 ? 0.5974 1.1499 0.5223 -0.0644 -0.0348 -0.1555 224 GLN H CG 12287 C CD . GLN H 209 ? 0.8315 1.4169 0.7623 -0.0741 -0.0351 -0.1622 224 GLN H CD 12288 O OE1 . GLN H 209 ? 0.7892 1.4289 0.7225 -0.0791 -0.0370 -0.1720 224 GLN H OE1 12289 N NE2 . GLN H 209 ? 0.7004 1.2571 0.6336 -0.0763 -0.0331 -0.1565 224 GLN H NE2 12290 N N . VAL H 210 ? 0.3978 0.8472 0.3111 -0.0454 -0.0322 -0.1348 225 VAL H N 12291 C CA . VAL H 210 ? 0.3825 0.7880 0.2940 -0.0400 -0.0296 -0.1226 225 VAL H CA 12292 C C . VAL H 210 ? 0.4100 0.8271 0.3231 -0.0304 -0.0271 -0.1084 225 VAL H C 12293 O O . VAL H 210 ? 0.3990 0.8438 0.3111 -0.0162 -0.0251 -0.0967 225 VAL H O 12294 C CB . VAL H 210 ? 0.4286 0.8099 0.3354 -0.0303 -0.0287 -0.1139 225 VAL H CB 12295 C CG1 . VAL H 210 ? 0.4207 0.7617 0.3261 -0.0272 -0.0257 -0.1037 225 VAL H CG1 12296 C CG2 . VAL H 210 ? 0.4310 0.8011 0.3352 -0.0386 -0.0304 -0.1264 225 VAL H CG2 12297 N N . GLN H 211 ? 0.3539 0.7500 0.2692 -0.0371 -0.0261 -0.1087 226 GLN H N 12298 C CA . GLN H 211 ? 0.3383 0.7374 0.2540 -0.0288 -0.0229 -0.0953 226 GLN H CA 12299 C C . GLN H 211 ? 0.3585 0.7175 0.2704 -0.0213 -0.0188 -0.0837 226 GLN H C 12300 O O . GLN H 211 ? 0.3548 0.6794 0.2665 -0.0289 -0.0194 -0.0881 226 GLN H O 12301 C CB . GLN H 211 ? 0.3573 0.7580 0.2778 -0.0404 -0.0239 -0.1026 226 GLN H CB 12302 C CG . GLN H 211 ? 0.5082 0.9052 0.4285 -0.0326 -0.0204 -0.0887 226 GLN H CG 12303 C CD . GLN H 211 ? 0.7176 1.1571 0.6370 -0.0200 -0.0179 -0.0767 226 GLN H CD 12304 O OE1 . GLN H 211 ? 0.6481 1.0892 0.5632 -0.0046 -0.0126 -0.0621 226 GLN H OE1 12305 N NE2 . GLN H 211 ? 0.6389 1.1143 0.5627 -0.0257 -0.0201 -0.0818 226 GLN H NE2 12306 N N . PHE H 212 ? 0.2977 0.6627 0.2065 -0.0064 -0.0136 -0.0694 227 PHE H N 12307 C CA . PHE H 212 ? 0.2886 0.6185 0.1939 -0.0001 -0.0075 -0.0593 227 PHE H CA 12308 C C . PHE H 212 ? 0.3417 0.6657 0.2462 0.0048 -0.0015 -0.0488 227 PHE H C 12309 O O . PHE H 212 ? 0.3273 0.6812 0.2321 0.0135 0.0020 -0.0404 227 PHE H O 12310 C CB . PHE H 212 ? 0.3076 0.6430 0.2104 0.0131 -0.0021 -0.0498 227 PHE H CB 12311 C CG . PHE H 212 ? 0.3242 0.6279 0.2240 0.0200 0.0074 -0.0390 227 PHE H CG 12312 C CD1 . PHE H 212 ? 0.3574 0.6279 0.2559 0.0128 0.0061 -0.0442 227 PHE H CD1 12313 C CD2 . PHE H 212 ? 0.3521 0.6610 0.2502 0.0337 0.0192 -0.0238 227 PHE H CD2 12314 C CE1 . PHE H 212 ? 0.3722 0.6162 0.2683 0.0167 0.0157 -0.0367 227 PHE H CE1 12315 C CE2 . PHE H 212 ? 0.3925 0.6700 0.2878 0.0382 0.0305 -0.0158 227 PHE H CE2 12316 C CZ . PHE H 212 ? 0.3680 0.6139 0.2626 0.0285 0.0283 -0.0235 227 PHE H CZ 12317 N N . TYR H 213 ? 0.3146 0.6024 0.2176 -0.0002 0.0003 -0.0489 228 TYR H N 12318 C CA . TYR H 213 ? 0.3261 0.6015 0.2271 0.0038 0.0070 -0.0396 228 TYR H CA 12319 C C . TYR H 213 ? 0.4114 0.6625 0.3078 0.0116 0.0176 -0.0301 228 TYR H C 12320 O O . TYR H 213 ? 0.4019 0.6286 0.2974 0.0060 0.0169 -0.0354 228 TYR H O 12321 C CB . TYR H 213 ? 0.3356 0.5909 0.2386 -0.0078 0.0021 -0.0475 228 TYR H CB 12322 C CG . TYR H 213 ? 0.3496 0.6271 0.2578 -0.0154 -0.0048 -0.0558 228 TYR H CG 12323 C CD1 . TYR H 213 ? 0.3716 0.6699 0.2812 -0.0121 -0.0033 -0.0499 228 TYR H CD1 12324 C CD2 . TYR H 213 ? 0.3583 0.6360 0.2700 -0.0264 -0.0113 -0.0698 228 TYR H CD2 12325 C CE1 . TYR H 213 ? 0.3727 0.6933 0.2880 -0.0208 -0.0089 -0.0590 228 TYR H CE1 12326 C CE2 . TYR H 213 ? 0.3695 0.6657 0.2867 -0.0353 -0.0152 -0.0794 228 TYR H CE2 12327 C CZ . TYR H 213 ? 0.4457 0.7644 0.3651 -0.0332 -0.0144 -0.0746 228 TYR H CZ 12328 O OH . TYR H 213 ? 0.4529 0.7915 0.3785 -0.0436 -0.0176 -0.0852 228 TYR H OH 12329 N N . GLY H 214 ? 0.4071 0.6672 0.3009 0.0246 0.0286 -0.0161 229 GLY H N 12330 C CA . GLY H 214 ? 0.4346 0.6716 0.3244 0.0324 0.0426 -0.0067 229 GLY H CA 12331 C C . GLY H 214 ? 0.5436 0.7711 0.4291 0.0404 0.0558 0.0059 229 GLY H C 12332 O O . GLY H 214 ? 0.5340 0.7501 0.4186 0.0340 0.0531 0.0033 229 GLY H O 12333 N N . LEU H 215 ? 0.5585 0.7899 0.4411 0.0556 0.0715 0.0204 230 LEU H N 12334 C CA . LEU H 215 ? 0.5934 0.8152 0.4707 0.0662 0.0883 0.0351 230 LEU H CA 12335 C C . LEU H 215 ? 0.6898 0.9447 0.5666 0.0745 0.0868 0.0448 230 LEU H C 12336 O O . LEU H 215 ? 0.6705 0.9640 0.5515 0.0754 0.0756 0.0423 230 LEU H O 12337 C CB . LEU H 215 ? 0.6106 0.8232 0.4850 0.0811 0.1094 0.0487 230 LEU H CB 12338 C CG . LEU H 215 ? 0.6742 0.8522 0.5488 0.0730 0.1148 0.0404 230 LEU H CG 12339 C CD1 . LEU H 215 ? 0.6961 0.8565 0.5674 0.0870 0.1410 0.0546 230 LEU H CD1 12340 C CD2 . LEU H 215 ? 0.7048 0.8508 0.5779 0.0548 0.1089 0.0265 230 LEU H CD2 12341 N N . SER H 216 ? 0.6988 0.9381 0.5703 0.0797 0.0987 0.0551 231 SER H N 12342 C CA . SER H 216 ? 0.7123 0.9802 0.5821 0.0889 0.1000 0.0671 231 SER H CA 12343 C C . SER H 216 ? 0.8169 1.1033 0.6817 0.1118 0.1203 0.0902 231 SER H C 12344 O O . SER H 216 ? 0.8211 1.0975 0.6842 0.1220 0.1351 0.0978 231 SER H O 12345 C CB . SER H 216 ? 0.7491 0.9918 0.6157 0.0814 0.0996 0.0655 231 SER H CB 12346 O OG . SER H 216 ? 0.8363 1.0571 0.7067 0.0624 0.0848 0.0463 231 SER H OG 12347 N N . GLU H 217 ? 0.8047 1.1199 0.6676 0.1208 0.1218 0.1022 232 GLU H N 12348 C CA . GLU H 217 ? 0.8273 1.1647 0.6847 0.1451 0.1426 0.1271 232 GLU H CA 12349 C C . GLU H 217 ? 0.9208 1.2083 0.7699 0.1531 0.1682 0.1385 232 GLU H C 12350 O O . GLU H 217 ? 0.9315 1.2170 0.7773 0.1707 0.1899 0.1541 232 GLU H O 12351 C CB . GLU H 217 ? 0.8412 1.2130 0.6970 0.1507 0.1393 0.1371 232 GLU H CB 12352 N N . ASN H 218 ? 0.8924 1.1388 0.7383 0.1395 0.1667 0.1296 233 ASN H N 12353 C CA . ASN H 218 ? 0.9210 1.1199 0.7585 0.1442 0.1914 0.1377 233 ASN H CA 12354 C C . ASN H 218 ? 0.9964 1.1651 0.8346 0.1420 0.2036 0.1323 233 ASN H C 12355 O O . ASN H 218 ? 1.0188 1.1686 0.8512 0.1565 0.2311 0.1475 233 ASN H O 12356 C CB . ASN H 218 ? 0.9368 1.0989 0.7721 0.1260 0.1838 0.1237 233 ASN H CB 12357 C CG . ASN H 218 ? 1.2086 1.3622 1.0515 0.1040 0.1610 0.0988 233 ASN H CG 12358 O OD1 . ASN H 218 ? 1.1306 1.3159 0.9810 0.1005 0.1435 0.0914 233 ASN H OD1 12359 N ND2 . ASN H 218 ? 1.0991 1.2123 0.9398 0.0893 0.1617 0.0858 233 ASN H ND2 12360 N N . ASP H 219 ? 0.9412 1.1039 0.7863 0.1242 0.1850 0.1112 234 ASP H N 12361 C CA . ASP H 219 ? 0.9460 1.0698 0.7913 0.1159 0.1954 0.1017 234 ASP H CA 12362 C C . ASP H 219 ? 0.9976 1.1261 0.8429 0.1337 0.2162 0.1161 234 ASP H C 12363 O O . ASP H 219 ? 0.9827 1.1523 0.8319 0.1468 0.2113 0.1249 234 ASP H O 12364 C CB . ASP H 219 ? 0.9497 1.0667 0.8015 0.0940 0.1721 0.0776 234 ASP H CB 12365 C CG . ASP H 219 ? 1.0486 1.1990 0.9060 0.0866 0.1449 0.0689 234 ASP H CG 12366 O OD1 . ASP H 219 ? 1.0604 1.2461 0.9182 0.0982 0.1425 0.0801 234 ASP H OD1 12367 O OD2 . ASP H 219 ? 1.0881 1.2312 0.9497 0.0693 0.1271 0.0508 234 ASP H OD2 12368 N N . GLU H 220 ? 0.9693 1.0555 0.8103 0.1342 0.2413 0.1184 235 GLU H N 12369 C CA . GLU H 220 ? 0.9826 1.0633 0.8233 0.1518 0.2677 0.1333 235 GLU H CA 12370 C C . GLU H 220 ? 1.0056 1.0939 0.8548 0.1468 0.2579 0.1229 235 GLU H C 12371 O O . GLU H 220 ? 0.9885 1.0589 0.8411 0.1256 0.2431 0.1019 235 GLU H O 12372 C CB . GLU H 220 ? 1.0326 1.0595 0.8664 0.1495 0.2987 0.1350 235 GLU H CB 12373 N N . TRP H 221 ? 0.9527 1.0689 0.8047 0.1678 0.2675 0.1389 236 TRP H N 12374 C CA . TRP H 221 ? 0.9373 1.0599 0.7969 0.1657 0.2609 0.1315 236 TRP H CA 12375 C C . TRP H 221 ? 1.0149 1.1201 0.8745 0.1842 0.2945 0.1479 236 TRP H C 12376 O O . TRP H 221 ? 1.0227 1.1496 0.8800 0.2100 0.3136 0.1716 236 TRP H O 12377 C CB . TRP H 221 ? 0.8923 1.0707 0.7572 0.1720 0.2366 0.1320 236 TRP H CB 12378 C CG . TRP H 221 ? 0.8908 1.0742 0.7626 0.1663 0.2251 0.1212 236 TRP H CG 12379 C CD1 . TRP H 221 ? 0.9267 1.1371 0.8026 0.1842 0.2311 0.1324 236 TRP H CD1 12380 C CD2 . TRP H 221 ? 0.8760 1.0380 0.7512 0.1420 0.2062 0.0980 236 TRP H CD2 12381 N NE1 . TRP H 221 ? 0.9077 1.1130 0.7892 0.1723 0.2170 0.1176 236 TRP H NE1 12382 C CE2 . TRP H 221 ? 0.9174 1.0930 0.7983 0.1464 0.2020 0.0967 236 TRP H CE2 12383 C CE3 . TRP H 221 ? 0.8855 1.0205 0.7591 0.1182 0.1932 0.0794 236 TRP H CE3 12384 C CZ2 . TRP H 221 ? 0.8959 1.0586 0.7806 0.1281 0.1853 0.0781 236 TRP H CZ2 12385 C CZ3 . TRP H 221 ? 0.8920 1.0168 0.7697 0.1007 0.1772 0.0613 236 TRP H CZ3 12386 C CH2 . TRP H 221 ? 0.8939 1.0319 0.7768 0.1056 0.1735 0.0610 236 TRP H CH2 12387 N N . THR H 222 ? 0.9754 1.0439 0.8380 0.1714 0.3023 0.1356 237 THR H N 12388 C CA . THR H 222 ? 0.9962 1.0394 0.8595 0.1859 0.3375 0.1489 237 THR H CA 12389 C C . THR H 222 ? 1.0208 1.0693 0.8929 0.1844 0.3316 0.1423 237 THR H C 12390 O O . THR H 222 ? 1.0416 1.0552 0.9164 0.1806 0.3522 0.1392 237 THR H O 12391 C CB . THR H 222 ? 1.1250 1.1106 0.9832 0.1712 0.3611 0.1405 237 THR H CB 12392 O OG1 . THR H 222 ? 1.1089 1.0755 0.9705 0.1417 0.3413 0.1131 237 THR H OG1 12393 C CG2 . THR H 222 ? 1.1059 1.0852 0.9547 0.1723 0.3657 0.1465 237 THR H CG2 12394 N N . GLN H 223 ? 0.9263 1.0190 0.8029 0.1868 0.3036 0.1396 238 GLN H N 12395 C CA . GLN H 223 ? 0.9016 1.0074 0.7862 0.1897 0.2965 0.1366 238 GLN H CA 12396 C C . GLN H 223 ? 0.9309 1.0866 0.8180 0.2188 0.2996 0.1578 238 GLN H C 12397 O O . GLN H 223 ? 0.9146 1.1076 0.7982 0.2295 0.2922 0.1673 238 GLN H O 12398 C CB . GLN H 223 ? 0.8875 1.0014 0.7754 0.1653 0.2603 0.1123 238 GLN H CB 12399 C CG . GLN H 223 ? 1.0249 1.0989 0.9106 0.1366 0.2537 0.0907 238 GLN H CG 12400 C CD . GLN H 223 ? 1.2405 1.2731 1.1289 0.1280 0.2747 0.0847 238 GLN H CD 12401 O OE1 . GLN H 223 ? 1.2060 1.2031 1.0906 0.1256 0.3005 0.0866 238 GLN H OE1 12402 N NE2 . GLN H 223 ? 1.0974 1.1329 0.9919 0.1215 0.2641 0.0758 238 GLN H NE2 12403 N N . ASP H 224 ? 0.8851 1.0442 0.7783 0.2316 0.3103 0.1648 239 ASP H N 12404 C CA . ASP H 224 ? 0.8733 1.0822 0.7698 0.2602 0.3140 0.1844 239 ASP H CA 12405 C C . ASP H 224 ? 0.8628 1.1131 0.7632 0.2516 0.2774 0.1703 239 ASP H C 12406 O O . ASP H 224 ? 0.8559 1.1181 0.7622 0.2580 0.2740 0.1704 239 ASP H O 12407 C CB . ASP H 224 ? 0.9236 1.1151 0.8250 0.2810 0.3473 0.2013 239 ASP H CB 12408 C CG . ASP H 224 ? 1.1069 1.2683 1.0040 0.2979 0.3890 0.2216 239 ASP H CG 12409 O OD1 . ASP H 224 ? 1.1186 1.2973 1.0088 0.3083 0.3944 0.2340 239 ASP H OD1 12410 O OD2 . ASP H 224 ? 1.2102 1.3318 1.1109 0.3017 0.4181 0.2260 239 ASP H OD2 12411 N N . ARG H 225 ? 0.7682 1.0378 0.6652 0.2365 0.2512 0.1576 240 ARG H N 12412 C CA . ARG H 225 ? 0.7220 1.0290 0.6210 0.2252 0.2173 0.1423 240 ARG H CA 12413 C C . ARG H 225 ? 0.7331 1.0628 0.6276 0.2176 0.2024 0.1381 240 ARG H C 12414 O O . ARG H 225 ? 0.7386 1.0431 0.6283 0.2145 0.2141 0.1420 240 ARG H O 12415 C CB . ARG H 225 ? 0.6946 0.9718 0.5964 0.1999 0.1984 0.1192 240 ARG H CB 12416 C CG . ARG H 225 ? 0.7690 1.0052 0.6674 0.1735 0.1906 0.1020 240 ARG H CG 12417 C CD . ARG H 225 ? 0.7770 1.0062 0.6774 0.1514 0.1651 0.0804 240 ARG H CD 12418 N NE . ARG H 225 ? 0.7704 0.9598 0.6685 0.1283 0.1612 0.0653 240 ARG H NE 12419 C CZ . ARG H 225 ? 0.8507 1.0413 0.7462 0.1116 0.1420 0.0521 240 ARG H CZ 12420 N NH1 . ARG H 225 ? 0.6547 0.8119 0.5483 0.0927 0.1403 0.0397 240 ARG H NH1 12421 N NH2 . ARG H 225 ? 0.6262 0.8533 0.5214 0.1136 0.1254 0.0508 240 ARG H NH2 12422 N N . ALA H 226 ? 0.6487 1.0234 0.5445 0.2136 0.1784 0.1297 241 ALA H N 12423 C CA . ALA H 226 ? 0.6301 1.0269 0.5227 0.2066 0.1664 0.1261 241 ALA H CA 12424 C C . ALA H 226 ? 0.6583 1.0094 0.5481 0.1823 0.1588 0.1107 241 ALA H C 12425 O O . ALA H 226 ? 0.6497 0.9665 0.5410 0.1647 0.1505 0.0953 241 ALA H O 12426 C CB . ALA H 226 ? 0.6197 1.0691 0.5150 0.2018 0.1419 0.1151 241 ALA H CB 12427 N N . LYS H 227 ? 0.5976 0.9518 0.4831 0.1823 0.1618 0.1159 242 LYS H N 12428 C CA . LYS H 227 ? 0.5833 0.9014 0.4661 0.1610 0.1535 0.1023 242 LYS H CA 12429 C C . LYS H 227 ? 0.5921 0.9228 0.4782 0.1402 0.1244 0.0805 242 LYS H C 12430 O O . LYS H 227 ? 0.5737 0.9497 0.4620 0.1421 0.1114 0.0783 242 LYS H O 12431 C CB . LYS H 227 ? 0.6209 0.9477 0.4986 0.1691 0.1630 0.1152 242 LYS H CB 12432 C CG . LYS H 227 ? 0.7530 1.0327 0.6263 0.1546 0.1668 0.1088 242 LYS H CG 12433 C CD . LYS H 227 ? 0.8403 1.1284 0.7076 0.1669 0.1801 0.1256 242 LYS H CD 12434 C CE . LYS H 227 ? 0.8844 1.1535 0.7492 0.1489 0.1677 0.1139 242 LYS H CE 12435 N NZ . LYS H 227 ? 0.9775 1.2171 0.8345 0.1562 0.1899 0.1274 242 LYS H NZ 12436 N N . PRO H 228 ? 0.5318 0.8202 0.4182 0.1192 0.1159 0.0635 243 PRO H N 12437 C CA . PRO H 228 ? 0.5073 0.8075 0.3966 0.1015 0.0910 0.0446 243 PRO H CA 12438 C C . PRO H 228 ? 0.5351 0.8371 0.4233 0.0899 0.0805 0.0376 243 PRO H C 12439 O O . PRO H 228 ? 0.5235 0.7967 0.4113 0.0739 0.0733 0.0257 243 PRO H O 12440 C CB . PRO H 228 ? 0.5277 0.7915 0.4180 0.0879 0.0869 0.0321 243 PRO H CB 12441 C CG . PRO H 228 ? 0.6004 0.8255 0.4877 0.0888 0.1054 0.0381 243 PRO H CG 12442 C CD . PRO H 228 ? 0.5584 0.7933 0.4430 0.1084 0.1257 0.0578 243 PRO H CD 12443 N N . VAL H 229 ? 0.4781 0.8187 0.3662 0.0992 0.0803 0.0459 244 VAL H N 12444 C CA . VAL H 229 ? 0.4666 0.8162 0.3543 0.0914 0.0725 0.0424 244 VAL H CA 12445 C C . VAL H 229 ? 0.4825 0.8471 0.3749 0.0738 0.0512 0.0228 244 VAL H C 12446 O O . VAL H 229 ? 0.4764 0.8506 0.3715 0.0700 0.0432 0.0137 244 VAL H O 12447 C CB . VAL H 229 ? 0.5230 0.9122 0.4087 0.1090 0.0820 0.0603 244 VAL H CB 12448 C CG1 . VAL H 229 ? 0.5412 0.9037 0.4208 0.1229 0.1048 0.0789 244 VAL H CG1 12449 C CG2 . VAL H 229 ? 0.5148 0.9561 0.4030 0.1231 0.0819 0.0667 244 VAL H CG2 12450 N N . THR H 230 ? 0.4173 0.7823 0.3106 0.0635 0.0436 0.0167 245 THR H N 12451 C CA . THR H 230 ? 0.3968 0.7746 0.2949 0.0469 0.0270 -0.0011 245 THR H CA 12452 C C . THR H 230 ? 0.4417 0.8742 0.3428 0.0521 0.0225 -0.0021 245 THR H C 12453 O O . THR H 230 ? 0.4509 0.9200 0.3515 0.0630 0.0274 0.0093 245 THR H O 12454 C CB . THR H 230 ? 0.4324 0.7987 0.3311 0.0380 0.0238 -0.0039 245 THR H CB 12455 O OG1 . THR H 230 ? 0.4080 0.7261 0.3041 0.0323 0.0268 -0.0058 245 THR H OG1 12456 C CG2 . THR H 230 ? 0.3832 0.7664 0.2878 0.0221 0.0101 -0.0209 245 THR H CG2 12457 N N . GLN H 231 ? 0.3764 0.8154 0.2798 0.0456 0.0146 -0.0143 246 GLN H N 12458 C CA . GLN H 231 ? 0.3610 0.8513 0.2668 0.0496 0.0102 -0.0176 246 GLN H CA 12459 C C . GLN H 231 ? 0.4084 0.9004 0.3174 0.0317 -0.0024 -0.0395 246 GLN H C 12460 O O . GLN H 231 ? 0.4093 0.8601 0.3180 0.0208 -0.0059 -0.0487 246 GLN H O 12461 C CB . GLN H 231 ? 0.3771 0.8780 0.2806 0.0691 0.0200 -0.0033 246 GLN H CB 12462 C CG . GLN H 231 ? 0.3851 0.8449 0.2874 0.0665 0.0203 -0.0072 246 GLN H CG 12463 C CD . GLN H 231 ? 0.6207 1.0904 0.5218 0.0863 0.0315 0.0077 246 GLN H CD 12464 O OE1 . GLN H 231 ? 0.6008 1.0972 0.5035 0.0905 0.0274 0.0044 246 GLN H OE1 12465 N NE2 . GLN H 231 ? 0.4856 0.9325 0.3841 0.0990 0.0473 0.0242 246 GLN H NE2 12466 N N . ILE H 232 ? 0.3632 0.9055 0.2749 0.0295 -0.0077 -0.0475 247 ILE H N 12467 C CA . ILE H 232 ? 0.3587 0.9088 0.2730 0.0130 -0.0171 -0.0689 247 ILE H CA 12468 C C . ILE H 232 ? 0.3967 0.9655 0.3092 0.0232 -0.0168 -0.0672 247 ILE H C 12469 O O . ILE H 232 ? 0.3915 1.0055 0.3037 0.0387 -0.0130 -0.0564 247 ILE H O 12470 C CB . ILE H 232 ? 0.3994 0.9929 0.3183 0.0002 -0.0224 -0.0823 247 ILE H CB 12471 C CG1 . ILE H 232 ? 0.4052 0.9670 0.3268 -0.0150 -0.0240 -0.0898 247 ILE H CG1 12472 C CG2 . ILE H 232 ? 0.4123 1.0344 0.3330 -0.0119 -0.0287 -0.1025 247 ILE H CG2 12473 C CD1 . ILE H 232 ? 0.5115 1.1145 0.4380 -0.0234 -0.0260 -0.0960 247 ILE H CD1 12474 N N . VAL H 233 ? 0.3490 0.8832 0.2599 0.0161 -0.0200 -0.0759 248 VAL H N 12475 C CA . VAL H 233 ? 0.3406 0.8879 0.2499 0.0242 -0.0207 -0.0758 248 VAL H CA 12476 C C . VAL H 233 ? 0.3866 0.9403 0.2965 0.0060 -0.0287 -0.0986 248 VAL H C 12477 O O . VAL H 233 ? 0.3768 0.8935 0.2867 -0.0098 -0.0310 -0.1102 248 VAL H O 12478 C CB . VAL H 233 ? 0.3888 0.8939 0.2952 0.0344 -0.0154 -0.0639 248 VAL H CB 12479 C CG1 . VAL H 233 ? 0.3864 0.9126 0.2918 0.0461 -0.0151 -0.0609 248 VAL H CG1 12480 C CG2 . VAL H 233 ? 0.3880 0.8785 0.2936 0.0483 -0.0049 -0.0443 248 VAL H CG2 12481 N N . SER H 234 ? 0.3534 0.9565 0.2638 0.0083 -0.0313 -0.1051 249 SER H N 12482 C CA . SER H 234 ? 0.3545 0.9689 0.2651 -0.0095 -0.0369 -0.1283 249 SER H CA 12483 C C . SER H 234 ? 0.3980 1.0294 0.3056 -0.0024 -0.0387 -0.1307 249 SER H C 12484 O O . SER H 234 ? 0.3845 1.0337 0.2913 0.0181 -0.0359 -0.1142 249 SER H O 12485 C CB . SER H 234 ? 0.4006 1.0665 0.3153 -0.0204 -0.0392 -0.1411 249 SER H CB 12486 O OG . SER H 234 ? 0.5296 1.1786 0.4474 -0.0290 -0.0380 -0.1408 249 SER H OG 12487 N N . ALA H 235 ? 0.3644 0.9868 0.2703 -0.0192 -0.0418 -0.1511 250 ALA H N 12488 C CA . ALA H 235 ? 0.3693 1.0069 0.2717 -0.0178 -0.0440 -0.1593 250 ALA H CA 12489 C C . ALA H 235 ? 0.4377 1.0988 0.3406 -0.0401 -0.0459 -0.1863 250 ALA H C 12490 O O . ALA H 235 ? 0.4305 1.0646 0.3349 -0.0587 -0.0439 -0.1990 250 ALA H O 12491 C CB . ALA H 235 ? 0.3799 0.9621 0.2777 -0.0156 -0.0431 -0.1547 250 ALA H CB 12492 N N . GLU H 236 ? 0.4112 1.1243 0.3133 -0.0386 -0.0483 -0.1954 251 GLU H N 12493 C CA . GLU H 236 ? 0.4279 1.1689 0.3305 -0.0616 -0.0488 -0.2237 251 GLU H CA 12494 C C . GLU H 236 ? 0.4945 1.2411 0.3915 -0.0649 -0.0494 -0.2370 251 GLU H C 12495 O O . GLU H 236 ? 0.4803 1.2255 0.3738 -0.0458 -0.0511 -0.2224 251 GLU H O 12496 C CB . GLU H 236 ? 0.4464 1.2613 0.3544 -0.0627 -0.0509 -0.2285 251 GLU H CB 12497 C CG . GLU H 236 ? 0.5965 1.4698 0.5045 -0.0372 -0.0532 -0.2108 251 GLU H CG 12498 C CD . GLU H 236 ? 0.9131 1.8710 0.8252 -0.0399 -0.0553 -0.2198 251 GLU H CD 12499 O OE1 . GLU H 236 ? 0.8160 1.7888 0.7327 -0.0472 -0.0546 -0.2203 251 GLU H OE1 12500 O OE2 . GLU H 236 ? 0.9140 1.9260 0.8245 -0.0340 -0.0576 -0.2256 251 GLU H OE2 12501 N N . ALA H 237 ? 0.4807 1.2305 0.3766 -0.0898 -0.0467 -0.2651 252 ALA H N 12502 C CA . ALA H 237 ? 0.5001 1.2567 0.3901 -0.0978 -0.0456 -0.2829 252 ALA H CA 12503 C C . ALA H 237 ? 0.5844 1.3725 0.4761 -0.1260 -0.0418 -0.3156 252 ALA H C 12504 O O . ALA H 237 ? 0.5906 1.3505 0.4855 -0.1458 -0.0356 -0.3282 252 ALA H O 12505 C CB . ALA H 237 ? 0.5155 1.1994 0.3987 -0.0988 -0.0410 -0.2798 252 ALA H CB 12506 N N . TRP H 238 ? 0.5504 1.3996 0.4405 -0.1277 -0.0447 -0.3296 253 TRP H N 12507 C CA . TRP H 238 ? 0.5706 1.4560 0.4616 -0.1558 -0.0405 -0.3640 253 TRP H CA 12508 C C . TRP H 238 ? 0.6443 1.4832 0.5270 -0.1702 -0.0324 -0.3821 253 TRP H C 12509 O O . TRP H 238 ? 0.6376 1.4490 0.5134 -0.1535 -0.0341 -0.3680 253 TRP H O 12510 C CB . TRP H 238 ? 0.5532 1.5336 0.4463 -0.1500 -0.0473 -0.3703 253 TRP H CB 12511 C CG . TRP H 238 ? 0.5550 1.5901 0.4565 -0.1424 -0.0521 -0.3591 253 TRP H CG 12512 C CD1 . TRP H 238 ? 0.5722 1.6263 0.4759 -0.1124 -0.0572 -0.3270 253 TRP H CD1 12513 C CD2 . TRP H 238 ? 0.5616 1.6379 0.4699 -0.1653 -0.0503 -0.3795 253 TRP H CD2 12514 N NE1 . TRP H 238 ? 0.5600 1.6652 0.4706 -0.1137 -0.0589 -0.3248 253 TRP H NE1 12515 C CE2 . TRP H 238 ? 0.5947 1.7168 0.5086 -0.1461 -0.0557 -0.3568 253 TRP H CE2 12516 C CE3 . TRP H 238 ? 0.5999 1.6792 0.5103 -0.2005 -0.0433 -0.4151 253 TRP H CE3 12517 C CZ2 . TRP H 238 ? 0.5885 1.7603 0.5098 -0.1604 -0.0558 -0.3675 253 TRP H CZ2 12518 C CZ3 . TRP H 238 ? 0.6215 1.7506 0.5403 -0.2160 -0.0433 -0.4273 253 TRP H CZ3 12519 C CH2 . TRP H 238 ? 0.6104 1.7866 0.5344 -0.1958 -0.0504 -0.4032 253 TRP H CH2 12520 N N . GLY H 239 ? 0.6282 1.4574 0.5114 -0.2007 -0.0222 -0.4124 254 GLY H N 12521 C CA . GLY H 239 ? 0.6551 1.4398 0.5299 -0.2173 -0.0106 -0.4325 254 GLY H CA 12522 C C . GLY H 239 ? 0.7186 1.5391 0.5857 -0.2115 -0.0142 -0.4404 254 GLY H C 12523 O O . GLY H 239 ? 0.7088 1.6075 0.5786 -0.2106 -0.0217 -0.4493 254 GLY H O 12524 N N . ARG H 240 ? 0.6892 1.4550 0.5463 -0.2056 -0.0089 -0.4355 255 ARG H N 12525 C CA . ARG H 240 ? 0.6952 1.4844 0.5437 -0.1981 -0.0116 -0.4406 255 ARG H CA 12526 C C . ARG H 240 ? 0.7825 1.5441 0.6222 -0.2245 0.0038 -0.4721 255 ARG H C 12527 O O . ARG H 240 ? 0.7969 1.4871 0.6328 -0.2351 0.0176 -0.4744 255 ARG H O 12528 C CB . ARG H 240 ? 0.6869 1.4387 0.5301 -0.1673 -0.0180 -0.4074 255 ARG H CB 12529 C CG . ARG H 240 ? 0.8191 1.6208 0.6682 -0.1382 -0.0325 -0.3809 255 ARG H CG 12530 C CD . ARG H 240 ? 0.9932 1.7803 0.8357 -0.1124 -0.0374 -0.3595 255 ARG H CD 12531 N NE . ARG H 240 ? 1.1341 1.9781 0.9822 -0.0852 -0.0482 -0.3380 255 ARG H NE 12532 C CZ . ARG H 240 ? 1.3361 2.2511 1.1840 -0.0780 -0.0532 -0.3451 255 ARG H CZ 12533 N NH1 . ARG H 240 ? 1.1907 2.1301 1.0329 -0.0980 -0.0496 -0.3753 255 ARG H NH1 12534 N NH2 . ARG H 240 ? 1.1714 2.1342 1.0247 -0.0505 -0.0605 -0.3220 255 ARG H NH2 12535 N N . ALA H 241 ? 0.7482 1.5672 0.5843 -0.2337 0.0027 -0.4955 256 ALA H N 12536 C CA . ALA H 241 ? 1.0376 1.8395 0.8644 -0.2594 0.0180 -0.5283 256 ALA H CA 12537 C C . ALA H 241 ? 1.2782 2.0793 1.0934 -0.2429 0.0147 -0.5221 256 ALA H C 12538 O O . ALA H 241 ? 0.7582 1.4919 0.5651 -0.2310 0.0199 -0.5050 256 ALA H O 12539 C CB . ALA H 241 ? 1.0619 1.9343 0.8939 -0.2881 0.0208 -0.5656 256 ALA H CB 12540 N N . ALA I 1 ? 0.3812 0.6752 1.5779 -0.2328 -0.3449 0.2219 -4 ALA I N 12541 C CA . ALA I 1 ? 0.3596 0.6125 1.5024 -0.2250 -0.3023 0.2025 -4 ALA I CA 12542 C C . ALA I 1 ? 0.3883 0.6037 1.4218 -0.2016 -0.2825 0.1769 -4 ALA I C 12543 O O . ALA I 1 ? 0.3717 0.6071 1.3947 -0.1815 -0.2712 0.1867 -4 ALA I O 12544 C CB . ALA I 1 ? 0.3264 0.6071 1.5363 -0.2130 -0.2491 0.2309 -4 ALA I CB 12545 N N . PRO I 2 ? 0.3342 0.4960 1.2895 -0.2027 -0.2753 0.1465 -3 PRO I N 12546 C CA . PRO I 2 ? 0.3147 0.4436 1.1774 -0.1807 -0.2560 0.1257 -3 PRO I CA 12547 C C . PRO I 2 ? 0.2918 0.4296 1.1521 -0.1588 -0.2007 0.1329 -3 PRO I C 12548 O O . PRO I 2 ? 0.2664 0.4085 1.1609 -0.1605 -0.1736 0.1409 -3 PRO I O 12549 C CB . PRO I 2 ? 0.3739 0.4434 1.1638 -0.1911 -0.2691 0.0955 -3 PRO I CB 12550 C CG . PRO I 2 ? 0.4583 0.5277 1.2993 -0.2197 -0.2954 0.0988 -3 PRO I CG 12551 C CD . PRO I 2 ? 0.3714 0.4998 1.3206 -0.2234 -0.2835 0.1314 -3 PRO I CD 12552 N N . SER I 3 ? 0.2153 0.3507 1.0310 -0.1374 -0.1840 0.1292 -2 SER I N 12553 C CA . SER I 3 ? 0.1629 0.2986 0.9645 -0.1174 -0.1362 0.1324 -2 SER I CA 12554 C C . SER I 3 ? 0.1779 0.2688 0.9127 -0.1148 -0.1225 0.1057 -2 SER I C 12555 O O . SER I 3 ? 0.2015 0.2598 0.8827 -0.1190 -0.1442 0.0854 -2 SER I O 12556 C CB . SER I 3 ? 0.2058 0.3564 0.9912 -0.0975 -0.1243 0.1401 -2 SER I CB 12557 O OG . SER I 3 ? 0.3280 0.4791 1.1073 -0.0804 -0.0802 0.1468 -2 SER I OG 12558 N N . GLY I 4 ? 0.1009 0.1753 0.8167 -0.0928 -0.0870 0.1079 -1 GLY I N 12559 C CA . GLY I 4 ? 0.0976 0.1340 0.7452 -0.0756 -0.0733 0.0864 -1 GLY I CA 12560 C C . GLY I 4 ? 0.1041 0.1323 0.7172 -0.0789 -0.0644 0.0719 -1 GLY I C 12561 O O . GLY I 4 ? 0.0847 0.1239 0.6967 -0.0632 -0.0464 0.0798 -1 GLY I O 12562 N N . GLU I 5 ? 0.0933 0.0900 0.6282 -0.0533 -0.0730 0.0532 1 GLU I N 12563 C CA . GLU I 5 ? 0.0830 0.0700 0.5710 -0.0377 -0.0625 0.0409 1 GLU I CA 12564 C C . GLU I 5 ? 0.0747 0.0647 0.5636 -0.0312 -0.0331 0.0375 1 GLU I C 12565 O O . GLU I 5 ? 0.0754 0.0637 0.5665 -0.0308 -0.0240 0.0345 1 GLU I O 12566 C CB . GLU I 5 ? 0.1203 0.0738 0.5708 -0.0534 -0.0752 0.0251 1 GLU I CB 12567 C CG . GLU I 5 ? 0.3261 0.2425 0.7739 -0.0861 -0.1104 0.0200 1 GLU I CG 12568 C CD . GLU I 5 ? 0.6323 0.5587 1.0739 -0.0743 -0.1190 0.0251 1 GLU I CD 12569 O OE1 . GLU I 5 ? 0.6090 0.5289 1.0258 -0.0565 -0.0979 0.0226 1 GLU I OE1 12570 O OE2 . GLU I 5 ? 0.6016 0.5447 1.0680 -0.0828 -0.1464 0.0330 1 GLU I OE2 12571 N N . GLY I 6 ? 0.0388 0.0405 0.4541 -0.0014 -0.0182 0.0324 2 GLY I N 12572 C CA . GLY I 6 ? 0.0380 0.0396 0.4065 0.0002 0.0025 0.0246 2 GLY I CA 12573 C C . GLY I 6 ? 0.0381 0.0386 0.4189 0.0002 0.0046 0.0149 2 GLY I C 12574 O O . GLY I 6 ? 0.0381 0.0383 0.4031 -0.0002 -0.0057 0.0112 2 GLY I O 12575 N N . SER I 7 ? 0.0386 0.0382 0.3427 0.0004 0.0137 0.0085 3 SER I N 12576 C CA . SER I 7 ? 0.0389 0.0380 0.3035 0.0001 0.0152 0.0023 3 SER I CA 12577 C C . SER I 7 ? 0.0404 0.0380 0.3354 0.0001 0.0267 0.0008 3 SER I C 12578 O O . SER I 7 ? 0.0409 0.0380 0.3330 0.0002 0.0294 0.0022 3 SER I O 12579 C CB . SER I 7 ? 0.0385 0.0380 0.3287 0.0000 0.0124 0.0003 3 SER I CB 12580 O OG . SER I 7 ? 0.0392 0.0380 0.4488 0.0001 0.0224 0.0013 3 SER I OG 12581 N N . PHE I 8 ? 0.0407 0.0380 0.2780 -0.0001 0.0254 -0.0012 4 PHE I N 12582 C CA . PHE I 8 ? 0.0416 0.0380 0.2696 -0.0003 0.0289 -0.0024 4 PHE I CA 12583 C C . PHE I 8 ? 0.0422 0.0381 0.3216 -0.0006 0.0343 -0.0047 4 PHE I C 12584 O O . PHE I 8 ? 0.0417 0.0381 0.3024 -0.0005 0.0312 -0.0046 4 PHE I O 12585 C CB . PHE I 8 ? 0.0430 0.0380 0.2867 -0.0003 0.0354 -0.0025 4 PHE I CB 12586 C CG . PHE I 8 ? 0.0446 0.0380 0.3037 -0.0002 0.0418 -0.0010 4 PHE I CG 12587 C CD1 . PHE I 8 ? 0.0467 0.0380 0.3404 -0.0002 0.0512 -0.0014 4 PHE I CD1 12588 C CD2 . PHE I 8 ? 0.0454 0.0380 0.3166 0.0001 0.0454 0.0008 4 PHE I CD2 12589 C CE1 . PHE I 8 ? 0.0493 0.0380 0.3474 0.0002 0.0591 0.0008 4 PHE I CE1 12590 C CE2 . PHE I 8 ? 0.0485 0.0380 0.3483 0.0006 0.0572 0.0034 4 PHE I CE2 12591 C CZ . PHE I 8 ? 0.0498 0.0380 0.3329 0.0007 0.0590 0.0034 4 PHE I CZ 12592 N N . GLN I 9 ? 0.0418 0.0381 0.2922 -0.0006 0.0313 -0.0051 5 GLN I N 12593 C CA . GLN I 9 ? 0.0415 0.0382 0.2879 -0.0007 0.0298 -0.0063 5 GLN I CA 12594 C C . GLN I 9 ? 0.0423 0.0382 0.3614 -0.0010 0.0371 -0.0090 5 GLN I C 12595 O O . GLN I 9 ? 0.0422 0.0383 0.3728 -0.0011 0.0377 -0.0102 5 GLN I O 12596 C CB . GLN I 9 ? 0.0419 0.0382 0.3031 -0.0008 0.0322 -0.0068 5 GLN I CB 12597 C CG . GLN I 9 ? 0.1455 0.0549 0.5716 -0.0219 0.0559 -0.0053 5 GLN I CG 12598 C CD . GLN I 9 ? 0.2220 0.1221 0.6419 -0.0162 0.0624 -0.0016 5 GLN I CD 12599 O OE1 . GLN I 9 ? 0.0962 0.0385 0.4990 -0.0053 0.0615 -0.0057 5 GLN I OE1 12600 N NE2 . GLN I 9 ? 0.0465 0.0380 0.3886 0.0005 0.0548 0.0034 5 GLN I NE2 12601 N N . PRO I 10 ? 0.0414 0.0382 0.3036 -0.0007 0.0302 -0.0064 6 PRO I N 12602 C CA . PRO I 10 ? 0.0409 0.0381 0.3096 -0.0006 0.0283 -0.0055 6 PRO I CA 12603 C C . PRO I 10 ? 0.0401 0.0383 0.3611 -0.0008 0.0258 -0.0096 6 PRO I C 12604 O O . PRO I 10 ? 0.0399 0.0384 0.3555 -0.0008 0.0243 -0.0111 6 PRO I O 12605 C CB . PRO I 10 ? 0.0419 0.0380 0.3337 -0.0002 0.0342 -0.0021 6 PRO I CB 12606 C CG . PRO I 10 ? 0.0432 0.0380 0.3746 -0.0005 0.0420 -0.0041 6 PRO I CG 12607 C CD . PRO I 10 ? 0.0421 0.0381 0.3053 -0.0007 0.0329 -0.0056 6 PRO I CD 12608 N N . SER I 11 ? 0.0391 0.0383 0.3211 -0.0006 0.0179 -0.0091 7 SER I N 12609 C CA . SER I 11 ? 0.0383 0.0385 0.3328 -0.0004 0.0090 -0.0123 7 SER I CA 12610 C C . SER I 11 ? 0.0381 0.0384 0.3822 -0.0002 0.0045 -0.0116 7 SER I C 12611 O O . SER I 11 ? 0.0383 0.0381 0.3704 -0.0002 0.0094 -0.0057 7 SER I O 12612 C CB . SER I 11 ? 0.0381 0.0388 0.4308 -0.0003 0.0062 -0.0178 7 SER I CB 12613 O OG . SER I 11 ? 0.1086 0.0461 0.5838 -0.0224 0.0151 -0.0278 7 SER I OG 12614 N N . GLN I 12 ? 0.0381 0.0386 0.3445 0.0002 -0.0046 -0.0132 8 GLN I N 12615 C CA . GLN I 12 ? 0.0383 0.0384 0.3505 0.0003 -0.0096 -0.0113 8 GLN I CA 12616 C C . GLN I 12 ? 0.0404 0.0385 0.4629 0.0011 -0.0321 -0.0141 8 GLN I C 12617 O O . GLN I 12 ? 0.0436 0.0390 0.4758 0.0024 -0.0497 -0.0208 8 GLN I O 12618 C CB . GLN I 12 ? 0.0383 0.0387 0.3292 0.0004 -0.0091 -0.0142 8 GLN I CB 12619 C CG . GLN I 12 ? 0.0388 0.0387 0.3552 0.0007 -0.0162 -0.0145 8 GLN I CG 12620 C CD . GLN I 12 ? 0.0898 0.0410 0.4565 0.0100 -0.0176 -0.0248 8 GLN I CD 12621 O OE1 . GLN I 12 ? 0.0409 0.0391 0.3898 0.0006 0.0011 -0.0187 8 GLN I OE1 12622 N NE2 . GLN I 12 ? 0.0411 0.0398 0.3160 0.0023 -0.0293 -0.0223 8 GLN I NE2 12623 N N . GLU I 13 ? 0.0400 0.0380 0.4514 0.0003 -0.0288 -0.0045 9 GLU I N 12624 C CA . GLU I 13 ? 0.0431 0.0380 0.5000 0.0000 -0.0485 -0.0002 9 GLU I CA 12625 C C . GLU I 13 ? 0.0541 0.0390 0.5889 -0.0004 -0.0844 -0.0084 9 GLU I C 12626 O O . GLU I 13 ? 0.0552 0.0382 0.5554 0.0015 -0.0759 -0.0114 9 GLU I O 12627 C CB . GLU I 13 ? 0.0410 0.0385 0.5374 -0.0012 -0.0389 0.0157 9 GLU I CB 12628 C CG . GLU I 13 ? 0.0390 0.0392 0.6047 -0.0011 -0.0237 0.0266 9 GLU I CG 12629 C CD . GLU I 13 ? 0.0862 0.1186 0.8004 -0.0253 -0.0391 0.0358 9 GLU I CD 12630 O OE1 . GLU I 13 ? 0.0442 0.0394 0.6962 -0.0030 -0.0642 0.0306 9 GLU I OE1 12631 O OE2 . GLU I 13 ? 0.0384 0.0405 0.5968 -0.0010 -0.0142 0.0378 9 GLU I OE2 12632 N N . ASN I 14 ? 0.0658 0.0418 0.6087 -0.0019 -0.1139 -0.0117 10 ASN I N 12633 C CA . ASN I 14 ? 0.0967 0.0514 0.6184 -0.0105 -0.1468 -0.0234 10 ASN I CA 12634 C C . ASN I 14 ? 0.1771 0.1505 0.7077 -0.0002 -0.1479 -0.0128 10 ASN I C 12635 O O . ASN I 14 ? 0.1623 0.1715 0.7514 -0.0032 -0.1534 0.0030 10 ASN I O 12636 C CB . ASN I 14 ? 0.1118 0.0620 0.6499 -0.0144 -0.1799 -0.0254 10 ASN I CB 12637 C CG . ASN I 14 ? 0.4167 0.3345 0.9188 -0.0253 -0.2218 -0.0445 10 ASN I CG 12638 O OD1 . ASN I 14 ? 0.3786 0.2753 0.8255 -0.0069 -0.2192 -0.0482 10 ASN I OD1 12639 N ND2 . ASN I 14 ? 0.3286 0.2367 0.8472 -0.0413 -0.2572 -0.0522 10 ASN I ND2 12640 N N . PRO I 15 ? 0.1726 0.1229 0.6447 0.0169 -0.1385 -0.0182 11 PRO I N 12641 C CA . PRO I 15 ? 0.1836 0.1506 0.6551 0.0329 -0.1336 -0.0068 11 PRO I CA 12642 C C . PRO I 15 ? 0.2874 0.2710 0.7817 0.0346 -0.1722 -0.0027 11 PRO I C 12643 O O . PRO I 15 ? 0.2790 0.2949 0.8074 0.0419 -0.1683 0.0147 11 PRO I O 12644 C CB . PRO I 15 ? 0.2251 0.1556 0.6259 0.0504 -0.1168 -0.0164 11 PRO I CB 12645 C CG . PRO I 15 ? 0.2672 0.1722 0.6461 0.0424 -0.1026 -0.0267 11 PRO I CG 12646 C CD . PRO I 15 ? 0.2126 0.1202 0.6197 0.0244 -0.1269 -0.0320 11 PRO I CD 12647 N N . GLN I 16 ? 0.2930 0.2525 0.7677 0.0280 -0.2099 -0.0175 12 GLN I N 12648 C CA . GLN I 16 ? 0.6093 0.5793 1.1022 0.0271 -0.2556 -0.0165 12 GLN I CA 12649 C C . GLN I 16 ? 0.8806 0.8935 1.4647 0.0050 -0.2743 -0.0042 12 GLN I C 12650 O O . GLN I 16 ? 0.3626 0.3763 0.9744 -0.0115 -0.2629 -0.0061 12 GLN I O 12651 C CB . GLN I 16 ? 0.6895 0.6044 1.1133 0.0294 -0.2895 -0.0387 12 GLN I CB 12652 N N . ALA J 1 ? 0.6058 1.0589 1.2308 -0.1016 -0.2309 0.1276 -4 ALA J N 12653 C CA . ALA J 1 ? 0.5955 0.9934 1.1750 -0.1013 -0.2033 0.1043 -4 ALA J CA 12654 C C . ALA J 1 ? 0.6274 0.9902 1.1302 -0.0853 -0.1938 0.0961 -4 ALA J C 12655 O O . ALA J 1 ? 0.6129 0.9838 1.1128 -0.0641 -0.1841 0.1145 -4 ALA J O 12656 C CB . ALA J 1 ? 0.5768 0.9612 1.1992 -0.0890 -0.1654 0.1151 -4 ALA J CB 12657 N N . PRO J 2 ? 0.5734 0.8956 1.0155 -0.0950 -0.1934 0.0696 -3 PRO J N 12658 C CA . PRO J 2 ? 0.5581 0.8475 0.9338 -0.0801 -0.1837 0.0630 -3 PRO J CA 12659 C C . PRO J 2 ? 0.5395 0.8085 0.9144 -0.0585 -0.1474 0.0703 -3 PRO J C 12660 O O . PRO J 2 ? 0.5236 0.7803 0.9219 -0.0585 -0.1257 0.0685 -3 PRO J O 12661 C CB . PRO J 2 ? 0.6083 0.8585 0.9304 -0.0970 -0.1876 0.0360 -3 PRO J CB 12662 C CG . PRO J 2 ? 0.6931 0.9609 1.0467 -0.1236 -0.2079 0.0280 -3 PRO J CG 12663 C CD . PRO J 2 ? 0.6120 0.9151 1.0440 -0.1196 -0.1991 0.0462 -3 PRO J CD 12664 N N . SER J 3 ? 0.4512 0.7153 0.7981 -0.0400 -0.1402 0.0784 -2 SER J N 12665 C CA . SER J 3 ? 0.3995 0.6430 0.7395 -0.0216 -0.1079 0.0842 -2 SER J CA 12666 C C . SER J 3 ? 0.3856 0.5871 0.6737 -0.0216 -0.0951 0.0635 -2 SER J C 12667 O O . SER J 3 ? 0.3930 0.5786 0.6393 -0.0287 -0.1086 0.0492 -2 SER J O 12668 C CB . SER J 3 ? 0.4382 0.6948 0.7743 -0.0029 -0.1022 0.1021 -2 SER J CB 12669 O OG . SER J 3 ? 0.5729 0.8692 0.9631 -0.0001 -0.1079 0.1262 -2 SER J OG 12670 N N . GLY J 4 ? 0.2793 0.4619 0.5709 -0.0134 -0.0688 0.0635 -1 GLY J N 12671 C CA . GLY J 4 ? 0.2548 0.4029 0.5060 -0.0115 -0.0548 0.0476 -1 GLY J CA 12672 C C . GLY J 4 ? 0.2644 0.3992 0.4752 -0.0010 -0.0518 0.0451 -1 GLY J C 12673 O O . GLY J 4 ? 0.2413 0.3830 0.4575 0.0117 -0.0419 0.0570 -1 GLY J O 12674 N N . GLU J 5 ? 0.2089 0.3215 0.3792 -0.0061 -0.0574 0.0302 1 GLU J N 12675 C CA . GLU J 5 ? 0.1964 0.2904 0.3282 0.0032 -0.0527 0.0258 1 GLU J CA 12676 C C . GLU J 5 ? 0.1891 0.2703 0.3169 0.0135 -0.0302 0.0255 1 GLU J C 12677 O O . GLU J 5 ? 0.1697 0.2419 0.3021 0.0107 -0.0206 0.0208 1 GLU J O 12678 C CB . GLU J 5 ? 0.2392 0.3063 0.3317 -0.0056 -0.0598 0.0117 1 GLU J CB 12679 C CG . GLU J 5 ? 0.4354 0.5034 0.5090 -0.0125 -0.0826 0.0102 1 GLU J CG 12680 C CD . GLU J 5 ? 0.7091 0.7654 0.7522 0.0010 -0.0828 0.0126 1 GLU J CD 12681 O OE1 . GLU J 5 ? 0.5017 0.5265 0.5120 0.0061 -0.0709 0.0056 1 GLU J OE1 12682 O OE2 . GLU J 5 ? 0.6662 0.7450 0.7203 0.0077 -0.0930 0.0230 1 GLU J OE2 12683 N N . GLY J 6 ? 0.1286 0.2081 0.2460 0.0251 -0.0219 0.0298 2 GLY J N 12684 C CA . GLY J 6 ? 0.1088 0.1754 0.2184 0.0325 -0.0028 0.0277 2 GLY J CA 12685 C C . GLY J 6 ? 0.1822 0.2268 0.2624 0.0315 -0.0011 0.0154 2 GLY J C 12686 O O . GLY J 6 ? 0.1951 0.2294 0.2551 0.0290 -0.0108 0.0108 2 GLY J O 12687 N N . SER J 7 ? 0.1403 0.1758 0.2170 0.0333 0.0109 0.0113 3 SER J N 12688 C CA . SER J 7 ? 0.1470 0.1653 0.2025 0.0335 0.0141 0.0031 3 SER J CA 12689 C C . SER J 7 ? 0.1840 0.2002 0.2394 0.0383 0.0261 0.0014 3 SER J C 12690 O O . SER J 7 ? 0.1763 0.1980 0.2423 0.0385 0.0318 0.0038 3 SER J O 12691 C CB . SER J 7 ? 0.2100 0.2204 0.2609 0.0263 0.0116 -0.0012 3 SER J CB 12692 O OG . SER J 7 ? 0.3529 0.3698 0.4194 0.0257 0.0175 0.0001 3 SER J OG 12693 N N . PHE J 8 ? 0.1435 0.1491 0.1861 0.0417 0.0303 -0.0027 4 PHE J N 12694 C CA . PHE J 8 ? 0.1336 0.1391 0.1780 0.0437 0.0393 -0.0058 4 PHE J CA 12695 C C . PHE J 8 ? 0.1888 0.1949 0.2335 0.0410 0.0385 -0.0074 4 PHE J C 12696 O O . PHE J 8 ? 0.1852 0.1850 0.2240 0.0394 0.0356 -0.0070 4 PHE J O 12697 C CB . PHE J 8 ? 0.1543 0.1490 0.1912 0.0485 0.0454 -0.0090 4 PHE J CB 12698 C CG . PHE J 8 ? 0.1749 0.1680 0.2101 0.0546 0.0518 -0.0075 4 PHE J CG 12699 C CD1 . PHE J 8 ? 0.2128 0.2106 0.2543 0.0556 0.0634 -0.0082 4 PHE J CD1 12700 C CD2 . PHE J 8 ? 0.2110 0.1946 0.2341 0.0598 0.0481 -0.0052 4 PHE J CD2 12701 C CE1 . PHE J 8 ? 0.2306 0.2252 0.2693 0.0632 0.0744 -0.0056 4 PHE J CE1 12702 C CE2 . PHE J 8 ? 0.2462 0.2283 0.2660 0.0687 0.0561 -0.0025 4 PHE J CE2 12703 C CZ . PHE J 8 ? 0.2194 0.2079 0.2485 0.0710 0.0706 -0.0021 4 PHE J CZ 12704 N N . GLN J 9 ? 0.1578 0.1697 0.2064 0.0406 0.0421 -0.0088 5 GLN J N 12705 C CA . GLN J 9 ? 0.1514 0.1663 0.1988 0.0405 0.0412 -0.0093 5 GLN J CA 12706 C C . GLN J 9 ? 0.1993 0.2177 0.2479 0.0406 0.0417 -0.0119 5 GLN J C 12707 O O . GLN J 9 ? 0.2037 0.2235 0.2544 0.0386 0.0445 -0.0158 5 GLN J O 12708 C CB . GLN J 9 ? 0.1671 0.1830 0.2137 0.0404 0.0433 -0.0086 5 GLN J CB 12709 C CG . GLN J 9 ? 0.3639 0.3766 0.4160 0.0411 0.0452 -0.0041 5 GLN J CG 12710 C CD . GLN J 9 ? 0.4775 0.4831 0.5260 0.0422 0.0521 -0.0021 5 GLN J CD 12711 O OE1 . GLN J 9 ? 0.3823 0.3831 0.4191 0.0433 0.0530 -0.0045 5 GLN J OE1 12712 N NE2 . GLN J 9 ? 0.3657 0.3689 0.4221 0.0422 0.0576 0.0036 5 GLN J NE2 12713 N N . PRO J 10 ? 0.1449 0.1653 0.1944 0.0426 0.0410 -0.0091 6 PRO J N 12714 C CA . PRO J 10 ? 0.1377 0.1665 0.1960 0.0425 0.0405 -0.0095 6 PRO J CA 12715 C C . PRO J 10 ? 0.1958 0.2379 0.2543 0.0398 0.0347 -0.0122 6 PRO J C 12716 O O . PRO J 10 ? 0.1969 0.2406 0.2470 0.0422 0.0326 -0.0101 6 PRO J O 12717 C CB . PRO J 10 ? 0.1610 0.1875 0.2209 0.0470 0.0439 -0.0016 6 PRO J CB 12718 C CG . PRO J 10 ? 0.2236 0.2430 0.2718 0.0484 0.0457 0.0009 6 PRO J CG 12719 C CD . PRO J 10 ? 0.1665 0.1821 0.2107 0.0451 0.0428 -0.0043 6 PRO J CD 12720 N N . SER J 11 ? 0.1344 0.1829 0.2002 0.0345 0.0331 -0.0176 7 SER J N 12721 C CA . SER J 11 ? 0.1277 0.1870 0.1900 0.0293 0.0253 -0.0216 7 SER J CA 12722 C C . SER J 11 ? 0.1718 0.2491 0.2433 0.0333 0.0176 -0.0143 7 SER J C 12723 O O . SER J 11 ? 0.1565 0.2390 0.2447 0.0368 0.0208 -0.0079 7 SER J O 12724 C CB . SER J 11 ? 0.1740 0.2339 0.2419 0.0200 0.0269 -0.0307 7 SER J CB 12725 O OG . SER J 11 ? 0.3237 0.3664 0.3785 0.0181 0.0368 -0.0347 7 SER J OG 12726 N N . GLN J 12 ? 0.1329 0.2162 0.1912 0.0350 0.0101 -0.0134 8 GLN J N 12727 C CA . GLN J 12 ? 0.1199 0.2215 0.1826 0.0419 0.0036 -0.0043 8 GLN J CA 12728 C C . GLN J 12 ? 0.1798 0.3058 0.2572 0.0348 -0.0104 -0.0057 8 GLN J C 12729 O O . GLN J 12 ? 0.1912 0.3169 0.2566 0.0251 -0.0197 -0.0156 8 GLN J O 12730 C CB . GLN J 12 ? 0.1392 0.2322 0.1771 0.0494 0.0035 -0.0028 8 GLN J CB 12731 C CG . GLN J 12 ? 0.1877 0.2976 0.2248 0.0605 -0.0001 0.0079 8 GLN J CG 12732 C CD . GLN J 12 ? 0.3267 0.4217 0.3363 0.0696 0.0030 0.0078 8 GLN J CD 12733 O OE1 . GLN J 12 ? 0.2164 0.2963 0.2207 0.0781 0.0171 0.0113 8 GLN J OE1 12734 N NE2 . GLN J 12 ? 0.2124 0.3077 0.2023 0.0679 -0.0092 0.0033 8 GLN J NE2 12735 N N . GLU J 13 ? 0.1319 0.2779 0.2352 0.0392 -0.0110 0.0053 9 GLU J N 12736 C CA . GLU J 13 ? 0.1347 0.3112 0.2619 0.0335 -0.0254 0.0078 9 GLU J CA 12737 C C . GLU J 13 ? 0.2351 0.4274 0.3435 0.0347 -0.0425 0.0083 9 GLU J C 12738 O O . GLU J 13 ? 0.2440 0.4277 0.3296 0.0469 -0.0381 0.0141 9 GLU J O 12739 C CB . GLU J 13 ? 0.1344 0.3267 0.2940 0.0420 -0.0184 0.0252 9 GLU J CB 12740 C CG . GLU J 13 ? 0.1996 0.3752 0.3788 0.0402 -0.0035 0.0247 9 GLU J CG 12741 C CD . GLU J 13 ? 0.3166 0.5061 0.5280 0.0291 -0.0086 0.0188 9 GLU J CD 12742 O OE1 . GLU J 13 ? 0.1434 0.3580 0.3625 0.0188 -0.0270 0.0126 9 GLU J OE1 12743 O OE2 . GLU J 13 ? 0.1180 0.2905 0.3453 0.0305 0.0064 0.0196 9 GLU J OE2 12744 N N . ASN J 14 ? 0.2171 0.4302 0.3334 0.0221 -0.0613 0.0015 10 ASN J N 12745 C CA . ASN J 14 ? 0.2470 0.4736 0.3410 0.0214 -0.0813 0.0005 10 ASN J CA 12746 C C . ASN J 14 ? 0.3135 0.5683 0.4187 0.0387 -0.0852 0.0208 10 ASN J C 12747 O O . ASN J 14 ? 0.2850 0.5709 0.4307 0.0399 -0.0883 0.0335 10 ASN J O 12748 C CB . ASN J 14 ? 0.2744 0.5188 0.3782 0.0007 -0.1016 -0.0117 10 ASN J CB 12749 C CG . ASN J 14 ? 0.4697 0.7214 0.5410 -0.0043 -0.1253 -0.0168 10 ASN J CG 12750 O OD1 . ASN J 14 ? 0.3187 0.5571 0.3540 0.0094 -0.1255 -0.0120 10 ASN J OD1 12751 N ND2 . ASN J 14 ? 0.3854 0.6560 0.4672 -0.0246 -0.1452 -0.0273 10 ASN J ND2 12752 N N . PRO J 15 ? 0.3119 0.5538 0.3829 0.0539 -0.0813 0.0258 11 PRO J N 12753 C CA . PRO J 15 ? 0.3182 0.5849 0.3967 0.0731 -0.0803 0.0464 11 PRO J CA 12754 C C . PRO J 15 ? 0.4046 0.7135 0.4937 0.0707 -0.1082 0.0527 11 PRO J C 12755 O O . PRO J 15 ? 0.3957 0.7398 0.5168 0.0809 -0.1090 0.0730 11 PRO J O 12756 C CB . PRO J 15 ? 0.3507 0.5864 0.3863 0.0888 -0.0669 0.0459 11 PRO J CB 12757 C CG . PRO J 15 ? 0.4007 0.5962 0.4159 0.0781 -0.0579 0.0281 11 PRO J CG 12758 C CD . PRO J 15 ? 0.3481 0.5506 0.3740 0.0561 -0.0741 0.0147 11 PRO J CD 12759 N N . GLN J 16 ? 0.3940 0.6986 0.4559 0.0566 -0.1306 0.0365 12 GLN J N 12760 C CA . GLN J 16 ? 0.6656 1.0086 0.7312 0.0502 -0.1625 0.0389 12 GLN J CA 12761 C C . GLN J 16 ? 0.9757 1.3428 1.0805 0.0247 -0.1789 0.0291 12 GLN J C 12762 O O . GLN J 16 ? 0.4265 0.8103 0.5811 0.0232 -0.1680 0.0375 12 GLN J O 12763 C CB . GLN J 16 ? 0.7255 1.0426 0.7294 0.0496 -0.1768 0.0265 12 GLN J CB 12764 C C1 . NAG K . ? 1.1023 1.0999 1.0045 0.0968 -0.0415 -0.1000 301 NAG A C1 12765 C C2 . NAG K . ? 1.1174 1.1408 1.0269 0.1087 -0.0357 -0.1024 301 NAG A C2 12766 C C3 . NAG K . ? 1.1531 1.1610 1.0667 0.1131 -0.0430 -0.0980 301 NAG A C3 12767 C C4 . NAG K . ? 1.1955 1.1669 1.0987 0.1212 -0.0564 -0.1046 301 NAG A C4 12768 C C5 . NAG K . ? 1.1920 1.1400 1.0886 0.1073 -0.0617 -0.1013 301 NAG A C5 12769 C C6 . NAG K . ? 1.2381 1.1479 1.1232 0.1132 -0.0763 -0.1075 301 NAG A C6 12770 C C7 . NAG K . ? 1.0559 1.1413 0.9771 0.1043 -0.0158 -0.0989 301 NAG A C7 12771 C C8 . NAG K . ? 1.0197 1.1303 0.9497 0.0914 -0.0068 -0.0892 301 NAG A C8 12772 N N2 . NAG K . ? 1.0790 1.1333 0.9977 0.0992 -0.0245 -0.0949 301 NAG A N2 12773 O O3 . NAG K . ? 1.1600 1.1916 1.0807 0.1250 -0.0387 -0.1004 301 NAG A O3 12774 O O4 . NAG K . ? 1.2133 1.1696 1.1203 0.1241 -0.0638 -0.0991 301 NAG A O4 12775 O O5 . NAG K . ? 1.1571 1.1211 1.0500 0.1039 -0.0543 -0.1059 301 NAG A O5 12776 O O6 . NAG K . ? 1.2662 1.1741 1.1405 0.1287 -0.0782 -0.1231 301 NAG A O6 12777 O O7 . NAG K . ? 1.0694 1.1623 0.9854 0.1187 -0.0156 -0.1097 301 NAG A O7 12779 C C1 . NAG M . ? 1.1464 1.0138 0.9810 0.0518 -0.0320 0.0431 1000 NAG B C1 12780 C C2 . NAG M . ? 1.1950 1.0252 1.0159 0.0481 -0.0394 0.0481 1000 NAG B C2 12781 C C3 . NAG M . ? 1.2272 1.0380 1.0337 0.0646 -0.0489 0.0461 1000 NAG B C3 12782 C C4 . NAG M . ? 1.2229 1.0459 1.0329 0.0808 -0.0518 0.0335 1000 NAG B C4 12783 C C5 . NAG M . ? 1.1813 1.0451 1.0073 0.0815 -0.0432 0.0292 1000 NAG B C5 12784 C C6 . NAG M . ? 1.1744 1.0550 1.0056 0.0944 -0.0444 0.0176 1000 NAG B C6 12785 C C7 . NAG M . ? 1.2275 1.0350 1.0449 0.0190 -0.0361 0.0645 1000 NAG B C7 12786 C C8 . NAG M . ? 1.2329 1.0373 1.0469 0.0053 -0.0323 0.0770 1000 NAG B C8 12787 N N2 . NAG M . ? 1.2086 1.0307 1.0265 0.0334 -0.0363 0.0597 1000 NAG B N2 12788 O O3 . NAG M . ? 1.2645 1.0370 1.0567 0.0610 -0.0570 0.0506 1000 NAG B O3 12789 O O4 . NAG M . ? 1.2520 1.0613 1.0492 0.0980 -0.0603 0.0312 1000 NAG B O4 12790 O O5 . NAG M . ? 1.1546 1.0308 0.9919 0.0649 -0.0350 0.0325 1000 NAG B O5 12791 O O6 . NAG M . ? 1.1781 1.0503 1.0113 0.0901 -0.0451 0.0127 1000 NAG B O6 12792 O O7 . NAG M . ? 1.2391 1.0381 1.0588 0.0170 -0.0389 0.0591 1000 NAG B O7 12793 C C1 . NAG N . ? 0.8663 0.7678 1.1578 0.1160 -0.0227 -0.2162 301 NAG C C1 12794 C C2 . NAG N . ? 0.8665 0.7915 1.1618 0.1269 -0.0157 -0.2099 301 NAG C C2 12795 C C3 . NAG N . ? 0.9013 0.7963 1.2093 0.1308 -0.0216 -0.2015 301 NAG C C3 12796 C C4 . NAG N . ? 0.9514 0.8111 1.2649 0.1414 -0.0329 -0.2186 301 NAG C C4 12797 C C5 . NAG N . ? 0.9544 0.7933 1.2642 0.1290 -0.0393 -0.2251 301 NAG C C5 12798 C C6 . NAG N . ? 1.0033 0.8081 1.3182 0.1389 -0.0515 -0.2449 301 NAG C C6 12799 C C7 . NAG N . ? 0.7822 0.7748 1.0680 0.1185 0.0026 -0.1928 301 NAG C C7 12800 C C8 . NAG N . ? 0.7498 0.7623 1.0326 0.1027 0.0102 -0.1738 301 NAG C C8 12801 N N2 . NAG N . ? 0.8139 0.7667 1.1053 0.1147 -0.0063 -0.1922 301 NAG C N2 12802 O O3 . NAG N . ? 0.8996 0.8167 1.2121 0.1419 -0.0164 -0.1967 301 NAG C O3 12803 O O4 . NAG N . ? 0.9726 0.8031 1.2981 0.1437 -0.0386 -0.2077 301 NAG C O4 12804 O O5 . NAG N . ? 0.9214 0.7914 1.2181 0.1260 -0.0336 -0.2334 301 NAG C O5 12805 O O6 . NAG N . ? 1.0150 0.8051 1.3267 0.1269 -0.0578 -0.2524 301 NAG C O6 12806 O O7 . NAG N . ? 0.7864 0.7982 1.0702 0.1341 0.0045 -0.2078 301 NAG C O7 12808 C C1 . NAG P . ? 0.8687 0.6999 1.0966 0.0458 -0.0394 0.1293 1000 NAG D C1 12809 C C2 . NAG P . ? 0.9124 0.7070 1.1453 0.0431 -0.0507 0.1446 1000 NAG D C2 12810 C C3 . NAG P . ? 0.9448 0.7217 1.1793 0.0616 -0.0629 0.1449 1000 NAG D C3 12811 C C4 . NAG P . ? 0.9511 0.7298 1.1877 0.0780 -0.0644 0.1203 1000 NAG D C4 12812 C C5 . NAG P . ? 0.9114 0.7316 1.1436 0.0773 -0.0515 0.1078 1000 NAG D C5 12813 C C6 . NAG P . ? 0.9141 0.7425 1.1487 0.0906 -0.0513 0.0851 1000 NAG D C6 12814 C C7 . NAG P . ? 0.9225 0.7287 1.1539 0.0121 -0.0415 0.1739 1000 NAG D C7 12815 C C8 . NAG P . ? 0.9353 0.7560 1.1626 0.0011 -0.0385 0.1978 1000 NAG D C8 12816 N N2 . NAG P . ? 0.9234 0.7247 1.1535 0.0293 -0.0480 0.1673 1000 NAG D N2 12817 O O3 . NAG P . ? 0.9664 0.7032 1.2063 0.0589 -0.0756 0.1579 1000 NAG D O3 12818 O O4 . NAG P . ? 0.9828 0.7506 1.2204 0.0975 -0.0752 0.1201 1000 NAG D O4 12819 O O5 . NAG P . ? 0.8775 0.7076 1.1083 0.0590 -0.0415 0.1091 1000 NAG D O5 12820 O O6 . NAG P . ? 0.8890 0.7556 1.1204 0.0874 -0.0402 0.0766 1000 NAG D O6 12821 O O7 . NAG P . ? 0.9087 0.7108 1.1440 0.0063 -0.0380 0.1613 1000 NAG D O7 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 GLU 1 -1 ? ? ? A . n A 1 2 ASP 2 0 0 ASP ASP A . n A 1 3 ILE 3 1 1 ILE ILE A . n A 1 4 VAL 4 2 2 VAL VAL A . n A 1 5 ALA 5 3 3 ALA ALA A . n A 1 6 ASP 6 4 4 ASP ASP A . n A 1 7 HIS 7 5 5 HIS HIS A . n A 1 8 VAL 8 6 6 VAL VAL A . n A 1 9 ALA 9 7 7 ALA ALA A . n A 1 10 SER 10 8 8 SER SER A . n A 1 11 TYR 11 9 9 TYR TYR A . n A 1 12 GLY 12 9 9 GLY GLY A A n A 1 13 VAL 13 10 10 VAL VAL A . n A 1 14 ASN 14 11 11 ASN ASN A . n A 1 15 LEU 15 12 12 LEU LEU A . n A 1 16 TYR 16 13 13 TYR TYR A . n A 1 17 GLN 17 14 14 GLN GLN A . n A 1 18 SER 18 15 15 SER SER A . n A 1 19 TYR 19 16 16 TYR TYR A . n A 1 20 GLY 20 17 17 GLY GLY A . n A 1 21 PRO 21 18 18 PRO PRO A . n A 1 22 SER 22 19 19 SER SER A . n A 1 23 GLY 23 20 20 GLY GLY A . n A 1 24 GLN 24 21 21 GLN GLN A . n A 1 25 TYR 25 22 22 TYR TYR A . n A 1 26 SER 26 23 23 SER SER A . n A 1 27 HIS 27 24 24 HIS HIS A . n A 1 28 GLU 28 25 25 GLU GLU A . n A 1 29 PHE 29 26 26 PHE PHE A . n A 1 30 ASP 30 27 27 ASP ASP A . n A 1 31 GLY 31 28 28 GLY GLY A . n A 1 32 ASP 32 29 29 ASP ASP A . n A 1 33 GLU 33 30 30 GLU GLU A . n A 1 34 GLU 34 31 31 GLU GLU A . n A 1 35 PHE 35 32 32 PHE PHE A . n A 1 36 TYR 36 33 33 TYR TYR A . n A 1 37 VAL 37 34 34 VAL VAL A . n A 1 38 ASP 38 35 35 ASP ASP A . n A 1 39 LEU 39 36 36 LEU LEU A . n A 1 40 GLU 40 37 37 GLU GLU A . n A 1 41 ARG 41 38 38 ARG ARG A . n A 1 42 LYS 42 39 39 LYS LYS A . n A 1 43 GLU 43 40 40 GLU GLU A . n A 1 44 THR 44 41 41 THR THR A . n A 1 45 VAL 45 42 42 VAL VAL A . n A 1 46 TRP 46 43 43 TRP TRP A . n A 1 47 GLN 47 44 44 GLN GLN A . n A 1 48 LEU 48 45 45 LEU LEU A . n A 1 49 PRO 49 46 46 PRO PRO A . n A 1 50 LEU 50 47 47 LEU LEU A . n A 1 51 PHE 51 48 48 PHE PHE A . n A 1 52 ARG 52 49 49 ARG ARG A . n A 1 53 ARG 53 50 50 ARG ARG A . n A 1 54 PHE 54 51 51 PHE PHE A . n A 1 55 ARG 55 52 52 ARG ARG A . n A 1 56 ARG 56 53 53 ARG ARG A . n A 1 57 PHE 57 54 54 PHE PHE A . n A 1 58 ASP 58 55 55 ASP ASP A . n A 1 59 PRO 59 56 56 PRO PRO A . n A 1 60 GLN 60 57 57 GLN GLN A . n A 1 61 PHE 61 58 58 PHE PHE A . n A 1 62 ALA 62 59 59 ALA ALA A . n A 1 63 LEU 63 60 60 LEU LEU A . n A 1 64 THR 64 61 61 THR THR A . n A 1 65 ASN 65 62 62 ASN ASN A . n A 1 66 ILE 66 63 63 ILE ILE A . n A 1 67 ALA 67 64 64 ALA ALA A . n A 1 68 VAL 68 65 65 VAL VAL A . n A 1 69 LEU 69 66 66 LEU LEU A . n A 1 70 LYS 70 67 67 LYS LYS A . n A 1 71 HIS 71 68 68 HIS HIS A . n A 1 72 ASN 72 69 69 ASN ASN A . n A 1 73 LEU 73 70 70 LEU LEU A . n A 1 74 ASN 74 71 71 ASN ASN A . n A 1 75 ILE 75 72 72 ILE ILE A . n A 1 76 VAL 76 73 73 VAL VAL A . n A 1 77 ILE 77 74 74 ILE ILE A . n A 1 78 LYS 78 75 75 LYS LYS A . n A 1 79 ARG 79 76 76 ARG ARG A . n A 1 80 SER 80 77 77 SER SER A . n A 1 81 ASN 81 78 78 ASN ASN A . n A 1 82 SER 82 79 79 SER SER A . n A 1 83 THR 83 80 80 THR THR A . n A 1 84 ALA 84 81 81 ALA ALA A . n A 1 85 ALA 85 82 82 ALA ALA A . n A 1 86 THR 86 83 83 THR THR A . n A 1 87 ASN 87 84 84 ASN ASN A . n A 1 88 GLU 88 85 85 GLU GLU A . n A 1 89 VAL 89 86 86 VAL VAL A . n A 1 90 PRO 90 87 87 PRO PRO A . n A 1 91 GLU 91 88 88 GLU GLU A . n A 1 92 VAL 92 89 89 VAL VAL A . n A 1 93 THR 93 90 90 THR THR A . n A 1 94 VAL 94 91 91 VAL VAL A . n A 1 95 PHE 95 92 92 PHE PHE A . n A 1 96 SER 96 93 93 SER SER A . n A 1 97 LYS 97 94 94 LYS LYS A . n A 1 98 SER 98 95 95 SER SER A . n A 1 99 PRO 99 96 96 PRO PRO A . n A 1 100 VAL 100 97 97 VAL VAL A . n A 1 101 THR 101 98 98 THR THR A . n A 1 102 LEU 102 99 99 LEU LEU A . n A 1 103 GLY 103 100 100 GLY GLY A . n A 1 104 GLN 104 101 101 GLN GLN A . n A 1 105 PRO 105 102 102 PRO PRO A . n A 1 106 ASN 106 103 103 ASN ASN A . n A 1 107 THR 107 104 104 THR THR A . n A 1 108 LEU 108 105 105 LEU LEU A . n A 1 109 ILE 109 106 106 ILE ILE A . n A 1 110 CYS 110 107 107 CYS CYS A . n A 1 111 LEU 111 108 108 LEU LEU A . n A 1 112 VAL 112 109 109 VAL VAL A . n A 1 113 ASP 113 110 110 ASP ASP A . n A 1 114 ASN 114 111 111 ASN ASN A . n A 1 115 ILE 115 112 112 ILE ILE A . n A 1 116 PHE 116 113 113 PHE PHE A . n A 1 117 PRO 117 114 114 PRO PRO A . n A 1 118 PRO 118 115 115 PRO PRO A . n A 1 119 VAL 119 116 116 VAL VAL A . n A 1 120 VAL 120 117 117 VAL VAL A . n A 1 121 ASN 121 118 118 ASN ASN A . n A 1 122 ILE 122 119 119 ILE ILE A . n A 1 123 THR 123 120 120 THR THR A . n A 1 124 TRP 124 121 121 TRP TRP A . n A 1 125 LEU 125 122 122 LEU LEU A . n A 1 126 SER 126 123 123 SER SER A . n A 1 127 ASN 127 124 124 ASN ASN A . n A 1 128 GLY 128 125 125 GLY GLY A . n A 1 129 HIS 129 126 126 HIS HIS A . n A 1 130 SER 130 127 127 SER SER A . n A 1 131 VAL 131 128 128 VAL VAL A . n A 1 132 THR 132 129 129 THR THR A . n A 1 133 GLU 133 130 130 GLU GLU A . n A 1 134 GLY 134 131 131 GLY GLY A . n A 1 135 VAL 135 132 132 VAL VAL A . n A 1 136 SER 136 133 133 SER SER A . n A 1 137 GLU 137 134 134 GLU GLU A . n A 1 138 THR 138 135 135 THR THR A . n A 1 139 SER 139 136 136 SER SER A . n A 1 140 PHE 140 137 137 PHE PHE A . n A 1 141 LEU 141 138 138 LEU LEU A . n A 1 142 SER 142 139 139 SER SER A . n A 1 143 LYS 143 140 140 LYS LYS A . n A 1 144 SER 144 141 141 SER SER A . n A 1 145 ASP 145 142 142 ASP ASP A . n A 1 146 HIS 146 143 143 HIS HIS A . n A 1 147 SER 147 144 144 SER SER A . n A 1 148 PHE 148 145 145 PHE PHE A . n A 1 149 PHE 149 146 146 PHE PHE A . n A 1 150 LYS 150 147 147 LYS LYS A . n A 1 151 ILE 151 148 148 ILE ILE A . n A 1 152 SER 152 149 149 SER SER A . n A 1 153 TYR 153 150 150 TYR TYR A . n A 1 154 LEU 154 151 151 LEU LEU A . n A 1 155 THR 155 152 152 THR THR A . n A 1 156 PHE 156 153 153 PHE PHE A . n A 1 157 LEU 157 154 154 LEU LEU A . n A 1 158 PRO 158 155 155 PRO PRO A . n A 1 159 SER 159 156 156 SER SER A . n A 1 160 ALA 160 157 157 ALA ALA A . n A 1 161 ASP 161 158 158 ASP ASP A . n A 1 162 GLU 162 159 159 GLU GLU A . n A 1 163 ILE 163 160 160 ILE ILE A . n A 1 164 TYR 164 161 161 TYR TYR A . n A 1 165 ASP 165 162 162 ASP ASP A . n A 1 166 CYS 166 163 163 CYS CYS A . n A 1 167 LYS 167 164 164 LYS LYS A . n A 1 168 VAL 168 165 165 VAL VAL A . n A 1 169 GLU 169 166 166 GLU GLU A . n A 1 170 HIS 170 167 167 HIS HIS A . n A 1 171 TRP 171 168 168 TRP TRP A . n A 1 172 GLY 172 169 169 GLY GLY A . n A 1 173 LEU 173 170 170 LEU LEU A . n A 1 174 ASP 174 171 171 ASP ASP A . n A 1 175 GLU 175 172 172 GLU GLU A . n A 1 176 PRO 176 173 173 PRO PRO A . n A 1 177 LEU 177 174 174 LEU LEU A . n A 1 178 LEU 178 175 175 LEU LEU A . n A 1 179 LYS 179 176 176 LYS LYS A . n A 1 180 HIS 180 177 177 HIS HIS A . n A 1 181 TRP 181 178 178 TRP TRP A . n A 1 182 GLU 182 179 179 GLU GLU A . n A 1 183 PRO 183 180 180 PRO PRO A . n A 1 184 GLU 184 181 ? ? ? A . n A 1 185 THR 185 182 ? ? ? A . n A 1 186 SER 186 183 ? ? ? A . n A 1 187 GLY 187 184 ? ? ? A . n A 1 188 ASP 188 185 ? ? ? A . n A 1 189 ASP 189 186 ? ? ? A . n A 1 190 ASP 190 187 ? ? ? A . n A 1 191 ASP 191 188 ? ? ? A . n A 1 192 LYS 192 189 ? ? ? A . n B 2 1 PRO 1 -29 ? ? ? B . n B 2 2 SER 2 -28 ? ? ? B . n B 2 3 GLY 3 -27 ? ? ? B . n B 2 4 GLU 4 -26 ? ? ? B . n B 2 5 GLY 5 -25 ? ? ? B . n B 2 6 SER 6 -24 ? ? ? B . n B 2 7 PHE 7 -23 ? ? ? B . n B 2 8 GLN 8 -22 ? ? ? B . n B 2 9 PRO 9 -21 ? ? ? B . n B 2 10 SER 10 -20 ? ? ? B . n B 2 11 GLN 11 -19 ? ? ? B . n B 2 12 GLU 12 -18 ? ? ? B . n B 2 13 ASN 13 -17 ? ? ? B . n B 2 14 PRO 14 -16 ? ? ? B . n B 2 15 GLN 15 -15 ? ? ? B . n B 2 16 GLY 16 -14 ? ? ? B . n B 2 17 SER 17 -13 ? ? ? B . n B 2 18 GLY 18 -12 ? ? ? B . n B 2 19 GLY 19 -11 ? ? ? B . n B 2 20 SER 20 -10 ? ? ? B . n B 2 21 ILE 21 -9 ? ? ? B . n B 2 22 GLU 22 -8 ? ? ? B . n B 2 23 GLY 23 -7 ? ? ? B . n B 2 24 ARG 24 -6 ? ? ? B . n B 2 25 GLY 25 -5 ? ? ? B . n B 2 26 GLY 26 -4 ? ? ? B . n B 2 27 SER 27 -3 ? ? ? B . n B 2 28 GLY 28 -2 ? ? ? B . n B 2 29 ALA 29 -1 ? ? ? B . n B 2 30 SER 30 0 ? ? ? B . n B 2 31 ARG 31 1 ? ? ? B . n B 2 32 ASP 32 2 2 ASP ASP B . n B 2 33 SER 33 3 3 SER SER B . n B 2 34 PRO 34 4 4 PRO PRO B . n B 2 35 GLU 35 5 5 GLU GLU B . n B 2 36 ASP 36 6 6 ASP ASP B . n B 2 37 PHE 37 7 7 PHE PHE B . n B 2 38 VAL 38 8 8 VAL VAL B . n B 2 39 TYR 39 9 9 TYR TYR B . n B 2 40 GLN 40 10 10 GLN GLN B . n B 2 41 PHE 41 11 11 PHE PHE B . n B 2 42 LYS 42 12 12 LYS LYS B . n B 2 43 GLY 43 13 13 GLY GLY B . n B 2 44 MET 44 14 14 MET MET B . n B 2 45 CYS 45 15 15 CYS CYS B . n B 2 46 TYR 46 16 16 TYR TYR B . n B 2 47 PHE 47 17 17 PHE PHE B . n B 2 48 THR 48 18 18 THR THR B . n B 2 49 ASN 49 19 19 ASN ASN B . n B 2 50 GLY 50 20 20 GLY GLY B . n B 2 51 THR 51 21 21 THR THR B . n B 2 52 GLU 52 22 22 GLU GLU B . n B 2 53 ARG 53 23 23 ARG ARG B . n B 2 54 VAL 54 24 24 VAL VAL B . n B 2 55 ARG 55 25 25 ARG ARG B . n B 2 56 LEU 56 26 26 LEU LEU B . n B 2 57 VAL 57 27 27 VAL VAL B . n B 2 58 THR 58 28 28 THR THR B . n B 2 59 ARG 59 29 29 ARG ARG B . n B 2 60 TYR 60 30 30 TYR TYR B . n B 2 61 ILE 61 31 31 ILE ILE B . n B 2 62 TYR 62 32 32 TYR TYR B . n B 2 63 ASN 63 33 33 ASN ASN B . n B 2 64 ARG 64 34 34 ARG ARG B . n B 2 65 GLU 65 35 35 GLU GLU B . n B 2 66 GLU 66 36 36 GLU GLU B . n B 2 67 TYR 67 37 37 TYR TYR B . n B 2 68 ALA 68 38 38 ALA ALA B . n B 2 69 ARG 69 39 39 ARG ARG B . n B 2 70 PHE 70 40 40 PHE PHE B . n B 2 71 ASP 71 41 41 ASP ASP B . n B 2 72 SER 72 42 42 SER SER B . n B 2 73 ASP 73 43 43 ASP ASP B . n B 2 74 VAL 74 44 44 VAL VAL B . n B 2 75 GLY 75 45 45 GLY GLY B . n B 2 76 VAL 76 46 46 VAL VAL B . n B 2 77 TYR 77 47 47 TYR TYR B . n B 2 78 ARG 78 48 48 ARG ARG B . n B 2 79 ALA 79 49 49 ALA ALA B . n B 2 80 VAL 80 50 50 VAL VAL B . n B 2 81 THR 81 51 51 THR THR B . n B 2 82 PRO 82 52 52 PRO PRO B . n B 2 83 LEU 83 53 53 LEU LEU B . n B 2 84 GLY 84 54 54 GLY GLY B . n B 2 85 PRO 85 55 55 PRO PRO B . n B 2 86 PRO 86 56 56 PRO PRO B . n B 2 87 ALA 87 57 57 ALA ALA B . n B 2 88 ALA 88 58 58 ALA ALA B . n B 2 89 GLU 89 59 59 GLU GLU B . n B 2 90 TYR 90 60 60 TYR TYR B . n B 2 91 TRP 91 61 61 TRP TRP B . n B 2 92 ASN 92 62 62 ASN ASN B . n B 2 93 SER 93 63 63 SER SER B . n B 2 94 GLN 94 64 64 GLN GLN B . n B 2 95 LYS 95 65 65 LYS LYS B . n B 2 96 GLU 96 66 66 GLU GLU B . n B 2 97 VAL 97 67 67 VAL VAL B . n B 2 98 LEU 98 68 68 LEU LEU B . n B 2 99 GLU 99 69 69 GLU GLU B . n B 2 100 ARG 100 70 70 ARG ARG B . n B 2 101 THR 101 71 71 THR THR B . n B 2 102 ARG 102 72 72 ARG ARG B . n B 2 103 ALA 103 73 73 ALA ALA B . n B 2 104 GLU 104 74 74 GLU GLU B . n B 2 105 LEU 105 75 75 LEU LEU B . n B 2 106 ASP 106 76 76 ASP ASP B . n B 2 107 THR 107 77 77 THR THR B . n B 2 108 VAL 108 78 78 VAL VAL B . n B 2 109 CYS 109 79 79 CYS CYS B . n B 2 110 ARG 110 80 80 ARG ARG B . n B 2 111 HIS 111 81 81 HIS HIS B . n B 2 112 ASN 112 82 82 ASN ASN B . n B 2 113 TYR 113 83 83 TYR TYR B . n B 2 114 GLN 114 84 84 GLN GLN B . n B 2 115 LEU 115 85 85 LEU LEU B . n B 2 116 GLU 116 86 86 GLU GLU B . n B 2 117 LEU 117 87 87 LEU LEU B . n B 2 118 ARG 118 88 88 ARG ARG B . n B 2 119 THR 119 89 89 THR THR B . n B 2 120 THR 120 90 90 THR THR B . n B 2 121 LEU 121 91 91 LEU LEU B . n B 2 122 GLN 122 92 92 GLN GLN B . n B 2 123 ARG 123 93 93 ARG ARG B . n B 2 124 ARG 124 94 94 ARG ARG B . n B 2 125 VAL 125 95 95 VAL VAL B . n B 2 126 GLU 126 96 96 GLU GLU B . n B 2 127 PRO 127 97 97 PRO PRO B . n B 2 128 THR 128 98 98 THR THR B . n B 2 129 VAL 129 99 99 VAL VAL B . n B 2 130 THR 130 100 100 THR THR B . n B 2 131 ILE 131 101 101 ILE ILE B . n B 2 132 SER 132 102 102 SER SER B . n B 2 133 PRO 133 103 103 PRO PRO B . n B 2 134 SER 134 104 ? ? ? B . n B 2 135 ARG 135 105 ? ? ? B . n B 2 136 THR 136 106 ? ? ? B . n B 2 137 GLU 137 107 ? ? ? B . n B 2 138 ALA 138 108 ? ? ? B . n B 2 139 LEU 139 109 ? ? ? B . n B 2 140 ASN 140 110 ? ? ? B . n B 2 141 HIS 141 111 ? ? ? B . n B 2 142 HIS 142 112 ? ? ? B . n B 2 143 ASN 143 113 ? ? ? B . n B 2 144 LEU 144 114 114 LEU LEU B . n B 2 145 LEU 145 115 115 LEU LEU B . n B 2 146 VAL 146 116 116 VAL VAL B . n B 2 147 CYS 147 117 117 CYS CYS B . n B 2 148 SER 148 118 118 SER SER B . n B 2 149 VAL 149 119 119 VAL VAL B . n B 2 150 THR 150 120 120 THR THR B . n B 2 151 ASP 151 121 121 ASP ASP B . n B 2 152 PHE 152 122 122 PHE PHE B . n B 2 153 TYR 153 123 123 TYR TYR B . n B 2 154 PRO 154 124 124 PRO PRO B . n B 2 155 ALA 155 125 125 ALA ALA B . n B 2 156 GLN 156 126 126 GLN GLN B . n B 2 157 ILE 157 127 127 ILE ILE B . n B 2 158 LYS 158 128 128 LYS LYS B . n B 2 159 VAL 159 129 129 VAL VAL B . n B 2 160 ARG 160 130 130 ARG ARG B . n B 2 161 TRP 161 131 131 TRP TRP B . n B 2 162 PHE 162 132 132 PHE PHE B . n B 2 163 ARG 163 133 133 ARG ARG B . n B 2 164 ASN 164 134 134 ASN ASN B . n B 2 165 ASP 165 135 135 ASP ASP B . n B 2 166 GLN 166 136 136 GLN GLN B . n B 2 167 GLU 167 137 137 GLU GLU B . n B 2 168 GLU 168 138 138 GLU GLU B . n B 2 169 THR 169 139 139 THR THR B . n B 2 170 THR 170 140 140 THR THR B . n B 2 171 GLY 171 141 141 GLY GLY B . n B 2 172 VAL 172 142 142 VAL VAL B . n B 2 173 VAL 173 143 143 VAL VAL B . n B 2 174 SER 174 144 144 SER SER B . n B 2 175 THR 175 145 145 THR THR B . n B 2 176 PRO 176 146 146 PRO PRO B . n B 2 177 LEU 177 147 147 LEU LEU B . n B 2 178 ILE 178 148 148 ILE ILE B . n B 2 179 ARG 179 149 149 ARG ARG B . n B 2 180 ASN 180 150 150 ASN ASN B . n B 2 181 GLY 181 151 151 GLY GLY B . n B 2 182 ASP 182 152 152 ASP ASP B . n B 2 183 TRP 183 153 153 TRP TRP B . n B 2 184 THR 184 154 154 THR THR B . n B 2 185 PHE 185 155 155 PHE PHE B . n B 2 186 GLN 186 156 156 GLN GLN B . n B 2 187 ILE 187 157 157 ILE ILE B . n B 2 188 LEU 188 158 158 LEU LEU B . n B 2 189 VAL 189 159 159 VAL VAL B . n B 2 190 MET 190 160 160 MET MET B . n B 2 191 LEU 191 161 161 LEU LEU B . n B 2 192 GLU 192 162 162 GLU GLU B . n B 2 193 MET 193 163 163 MET MET B . n B 2 194 THR 194 164 164 THR THR B . n B 2 195 PRO 195 165 165 PRO PRO B . n B 2 196 GLN 196 166 166 GLN GLN B . n B 2 197 ARG 197 167 167 ARG ARG B . n B 2 198 GLY 198 168 168 GLY GLY B . n B 2 199 ASP 199 169 169 ASP ASP B . n B 2 200 VAL 200 170 170 VAL VAL B . n B 2 201 TYR 201 171 171 TYR TYR B . n B 2 202 THR 202 172 172 THR THR B . n B 2 203 CYS 203 173 173 CYS CYS B . n B 2 204 HIS 204 174 174 HIS HIS B . n B 2 205 VAL 205 175 175 VAL VAL B . n B 2 206 GLU 206 176 176 GLU GLU B . n B 2 207 HIS 207 177 177 HIS HIS B . n B 2 208 PRO 208 178 178 PRO PRO B . n B 2 209 SER 209 179 179 SER SER B . n B 2 210 LEU 210 180 180 LEU LEU B . n B 2 211 GLN 211 181 181 GLN GLN B . n B 2 212 ASN 212 182 182 ASN ASN B . n B 2 213 PRO 213 183 183 PRO PRO B . n B 2 214 ILE 214 184 184 ILE ILE B . n B 2 215 ILE 215 185 185 ILE ILE B . n B 2 216 VAL 216 186 186 VAL VAL B . n B 2 217 GLU 217 187 187 GLU GLU B . n B 2 218 TRP 218 188 188 TRP TRP B . n B 2 219 ARG 219 189 189 ARG ARG B . n B 2 220 ALA 220 190 190 ALA ALA B . n B 2 221 GLN 221 191 191 GLN GLN B . n B 2 222 SER 222 192 192 SER SER B . n B 2 223 THR 223 193 ? ? ? B . n B 2 224 GLY 224 194 ? ? ? B . n B 2 225 GLY 225 195 ? ? ? B . n B 2 226 ASP 226 196 ? ? ? B . n B 2 227 ASP 227 197 ? ? ? B . n B 2 228 ASP 228 198 ? ? ? B . n B 2 229 ASP 229 199 ? ? ? B . n B 2 230 LYS 230 200 ? ? ? B . n C 1 1 GLU 1 -1 ? ? ? C . n C 1 2 ASP 2 0 0 ASP ASP C . n C 1 3 ILE 3 1 1 ILE ILE C . n C 1 4 VAL 4 2 2 VAL VAL C . n C 1 5 ALA 5 3 3 ALA ALA C . n C 1 6 ASP 6 4 4 ASP ASP C . n C 1 7 HIS 7 5 5 HIS HIS C . n C 1 8 VAL 8 6 6 VAL VAL C . n C 1 9 ALA 9 7 7 ALA ALA C . n C 1 10 SER 10 8 8 SER SER C . n C 1 11 TYR 11 9 9 TYR TYR C . n C 1 12 GLY 12 9 9 GLY GLY C A n C 1 13 VAL 13 10 10 VAL VAL C . n C 1 14 ASN 14 11 11 ASN ASN C . n C 1 15 LEU 15 12 12 LEU LEU C . n C 1 16 TYR 16 13 13 TYR TYR C . n C 1 17 GLN 17 14 14 GLN GLN C . n C 1 18 SER 18 15 15 SER SER C . n C 1 19 TYR 19 16 16 TYR TYR C . n C 1 20 GLY 20 17 17 GLY GLY C . n C 1 21 PRO 21 18 18 PRO PRO C . n C 1 22 SER 22 19 19 SER SER C . n C 1 23 GLY 23 20 20 GLY GLY C . n C 1 24 GLN 24 21 21 GLN GLN C . n C 1 25 TYR 25 22 22 TYR TYR C . n C 1 26 SER 26 23 23 SER SER C . n C 1 27 HIS 27 24 24 HIS HIS C . n C 1 28 GLU 28 25 25 GLU GLU C . n C 1 29 PHE 29 26 26 PHE PHE C . n C 1 30 ASP 30 27 27 ASP ASP C . n C 1 31 GLY 31 28 28 GLY GLY C . n C 1 32 ASP 32 29 29 ASP ASP C . n C 1 33 GLU 33 30 30 GLU GLU C . n C 1 34 GLU 34 31 31 GLU GLU C . n C 1 35 PHE 35 32 32 PHE PHE C . n C 1 36 TYR 36 33 33 TYR TYR C . n C 1 37 VAL 37 34 34 VAL VAL C . n C 1 38 ASP 38 35 35 ASP ASP C . n C 1 39 LEU 39 36 36 LEU LEU C . n C 1 40 GLU 40 37 37 GLU GLU C . n C 1 41 ARG 41 38 38 ARG ARG C . n C 1 42 LYS 42 39 39 LYS LYS C . n C 1 43 GLU 43 40 40 GLU GLU C . n C 1 44 THR 44 41 41 THR THR C . n C 1 45 VAL 45 42 42 VAL VAL C . n C 1 46 TRP 46 43 43 TRP TRP C . n C 1 47 GLN 47 44 44 GLN GLN C . n C 1 48 LEU 48 45 45 LEU LEU C . n C 1 49 PRO 49 46 46 PRO PRO C . n C 1 50 LEU 50 47 47 LEU LEU C . n C 1 51 PHE 51 48 48 PHE PHE C . n C 1 52 ARG 52 49 49 ARG ARG C . n C 1 53 ARG 53 50 50 ARG ARG C . n C 1 54 PHE 54 51 51 PHE PHE C . n C 1 55 ARG 55 52 52 ARG ARG C . n C 1 56 ARG 56 53 53 ARG ARG C . n C 1 57 PHE 57 54 54 PHE PHE C . n C 1 58 ASP 58 55 55 ASP ASP C . n C 1 59 PRO 59 56 56 PRO PRO C . n C 1 60 GLN 60 57 57 GLN GLN C . n C 1 61 PHE 61 58 58 PHE PHE C . n C 1 62 ALA 62 59 59 ALA ALA C . n C 1 63 LEU 63 60 60 LEU LEU C . n C 1 64 THR 64 61 61 THR THR C . n C 1 65 ASN 65 62 62 ASN ASN C . n C 1 66 ILE 66 63 63 ILE ILE C . n C 1 67 ALA 67 64 64 ALA ALA C . n C 1 68 VAL 68 65 65 VAL VAL C . n C 1 69 LEU 69 66 66 LEU LEU C . n C 1 70 LYS 70 67 67 LYS LYS C . n C 1 71 HIS 71 68 68 HIS HIS C . n C 1 72 ASN 72 69 69 ASN ASN C . n C 1 73 LEU 73 70 70 LEU LEU C . n C 1 74 ASN 74 71 71 ASN ASN C . n C 1 75 ILE 75 72 72 ILE ILE C . n C 1 76 VAL 76 73 73 VAL VAL C . n C 1 77 ILE 77 74 74 ILE ILE C . n C 1 78 LYS 78 75 75 LYS LYS C . n C 1 79 ARG 79 76 76 ARG ARG C . n C 1 80 SER 80 77 77 SER SER C . n C 1 81 ASN 81 78 78 ASN ASN C . n C 1 82 SER 82 79 79 SER SER C . n C 1 83 THR 83 80 80 THR THR C . n C 1 84 ALA 84 81 81 ALA ALA C . n C 1 85 ALA 85 82 82 ALA ALA C . n C 1 86 THR 86 83 83 THR THR C . n C 1 87 ASN 87 84 84 ASN ASN C . n C 1 88 GLU 88 85 85 GLU GLU C . n C 1 89 VAL 89 86 86 VAL VAL C . n C 1 90 PRO 90 87 87 PRO PRO C . n C 1 91 GLU 91 88 88 GLU GLU C . n C 1 92 VAL 92 89 89 VAL VAL C . n C 1 93 THR 93 90 90 THR THR C . n C 1 94 VAL 94 91 91 VAL VAL C . n C 1 95 PHE 95 92 92 PHE PHE C . n C 1 96 SER 96 93 93 SER SER C . n C 1 97 LYS 97 94 94 LYS LYS C . n C 1 98 SER 98 95 95 SER SER C . n C 1 99 PRO 99 96 96 PRO PRO C . n C 1 100 VAL 100 97 97 VAL VAL C . n C 1 101 THR 101 98 98 THR THR C . n C 1 102 LEU 102 99 99 LEU LEU C . n C 1 103 GLY 103 100 100 GLY GLY C . n C 1 104 GLN 104 101 101 GLN GLN C . n C 1 105 PRO 105 102 102 PRO PRO C . n C 1 106 ASN 106 103 103 ASN ASN C . n C 1 107 THR 107 104 104 THR THR C . n C 1 108 LEU 108 105 105 LEU LEU C . n C 1 109 ILE 109 106 106 ILE ILE C . n C 1 110 CYS 110 107 107 CYS CYS C . n C 1 111 LEU 111 108 108 LEU LEU C . n C 1 112 VAL 112 109 109 VAL VAL C . n C 1 113 ASP 113 110 110 ASP ASP C . n C 1 114 ASN 114 111 111 ASN ASN C . n C 1 115 ILE 115 112 112 ILE ILE C . n C 1 116 PHE 116 113 113 PHE PHE C . n C 1 117 PRO 117 114 114 PRO PRO C . n C 1 118 PRO 118 115 115 PRO PRO C . n C 1 119 VAL 119 116 116 VAL VAL C . n C 1 120 VAL 120 117 117 VAL VAL C . n C 1 121 ASN 121 118 118 ASN ASN C . n C 1 122 ILE 122 119 119 ILE ILE C . n C 1 123 THR 123 120 120 THR THR C . n C 1 124 TRP 124 121 121 TRP TRP C . n C 1 125 LEU 125 122 122 LEU LEU C . n C 1 126 SER 126 123 123 SER SER C . n C 1 127 ASN 127 124 124 ASN ASN C . n C 1 128 GLY 128 125 125 GLY GLY C . n C 1 129 HIS 129 126 126 HIS HIS C . n C 1 130 SER 130 127 127 SER SER C . n C 1 131 VAL 131 128 128 VAL VAL C . n C 1 132 THR 132 129 129 THR THR C . n C 1 133 GLU 133 130 130 GLU GLU C . n C 1 134 GLY 134 131 131 GLY GLY C . n C 1 135 VAL 135 132 132 VAL VAL C . n C 1 136 SER 136 133 133 SER SER C . n C 1 137 GLU 137 134 134 GLU GLU C . n C 1 138 THR 138 135 135 THR THR C . n C 1 139 SER 139 136 136 SER SER C . n C 1 140 PHE 140 137 137 PHE PHE C . n C 1 141 LEU 141 138 138 LEU LEU C . n C 1 142 SER 142 139 139 SER SER C . n C 1 143 LYS 143 140 140 LYS LYS C . n C 1 144 SER 144 141 141 SER SER C . n C 1 145 ASP 145 142 142 ASP ASP C . n C 1 146 HIS 146 143 143 HIS HIS C . n C 1 147 SER 147 144 144 SER SER C . n C 1 148 PHE 148 145 145 PHE PHE C . n C 1 149 PHE 149 146 146 PHE PHE C . n C 1 150 LYS 150 147 147 LYS LYS C . n C 1 151 ILE 151 148 148 ILE ILE C . n C 1 152 SER 152 149 149 SER SER C . n C 1 153 TYR 153 150 150 TYR TYR C . n C 1 154 LEU 154 151 151 LEU LEU C . n C 1 155 THR 155 152 152 THR THR C . n C 1 156 PHE 156 153 153 PHE PHE C . n C 1 157 LEU 157 154 154 LEU LEU C . n C 1 158 PRO 158 155 155 PRO PRO C . n C 1 159 SER 159 156 156 SER SER C . n C 1 160 ALA 160 157 157 ALA ALA C . n C 1 161 ASP 161 158 158 ASP ASP C . n C 1 162 GLU 162 159 159 GLU GLU C . n C 1 163 ILE 163 160 160 ILE ILE C . n C 1 164 TYR 164 161 161 TYR TYR C . n C 1 165 ASP 165 162 162 ASP ASP C . n C 1 166 CYS 166 163 163 CYS CYS C . n C 1 167 LYS 167 164 164 LYS LYS C . n C 1 168 VAL 168 165 165 VAL VAL C . n C 1 169 GLU 169 166 166 GLU GLU C . n C 1 170 HIS 170 167 167 HIS HIS C . n C 1 171 TRP 171 168 168 TRP TRP C . n C 1 172 GLY 172 169 169 GLY GLY C . n C 1 173 LEU 173 170 170 LEU LEU C . n C 1 174 ASP 174 171 171 ASP ASP C . n C 1 175 GLU 175 172 172 GLU GLU C . n C 1 176 PRO 176 173 173 PRO PRO C . n C 1 177 LEU 177 174 174 LEU LEU C . n C 1 178 LEU 178 175 175 LEU LEU C . n C 1 179 LYS 179 176 176 LYS LYS C . n C 1 180 HIS 180 177 177 HIS HIS C . n C 1 181 TRP 181 178 178 TRP TRP C . n C 1 182 GLU 182 179 179 GLU GLU C . n C 1 183 PRO 183 180 180 PRO PRO C . n C 1 184 GLU 184 181 ? ? ? C . n C 1 185 THR 185 182 ? ? ? C . n C 1 186 SER 186 183 ? ? ? C . n C 1 187 GLY 187 184 ? ? ? C . n C 1 188 ASP 188 185 ? ? ? C . n C 1 189 ASP 189 186 ? ? ? C . n C 1 190 ASP 190 187 ? ? ? C . n C 1 191 ASP 191 188 ? ? ? C . n C 1 192 LYS 192 189 ? ? ? C . n D 2 1 PRO 1 -29 ? ? ? D . n D 2 2 SER 2 -28 ? ? ? D . n D 2 3 GLY 3 -27 ? ? ? D . n D 2 4 GLU 4 -26 ? ? ? D . n D 2 5 GLY 5 -25 ? ? ? D . n D 2 6 SER 6 -24 ? ? ? D . n D 2 7 PHE 7 -23 ? ? ? D . n D 2 8 GLN 8 -22 ? ? ? D . n D 2 9 PRO 9 -21 ? ? ? D . n D 2 10 SER 10 -20 ? ? ? D . n D 2 11 GLN 11 -19 ? ? ? D . n D 2 12 GLU 12 -18 ? ? ? D . n D 2 13 ASN 13 -17 ? ? ? D . n D 2 14 PRO 14 -16 ? ? ? D . n D 2 15 GLN 15 -15 ? ? ? D . n D 2 16 GLY 16 -14 ? ? ? D . n D 2 17 SER 17 -13 ? ? ? D . n D 2 18 GLY 18 -12 ? ? ? D . n D 2 19 GLY 19 -11 ? ? ? D . n D 2 20 SER 20 -10 ? ? ? D . n D 2 21 ILE 21 -9 ? ? ? D . n D 2 22 GLU 22 -8 ? ? ? D . n D 2 23 GLY 23 -7 ? ? ? D . n D 2 24 ARG 24 -6 ? ? ? D . n D 2 25 GLY 25 -5 ? ? ? D . n D 2 26 GLY 26 -4 ? ? ? D . n D 2 27 SER 27 -3 ? ? ? D . n D 2 28 GLY 28 -2 ? ? ? D . n D 2 29 ALA 29 -1 ? ? ? D . n D 2 30 SER 30 0 ? ? ? D . n D 2 31 ARG 31 1 ? ? ? D . n D 2 32 ASP 32 2 2 ASP ASP D . n D 2 33 SER 33 3 3 SER SER D . n D 2 34 PRO 34 4 4 PRO PRO D . n D 2 35 GLU 35 5 5 GLU GLU D . n D 2 36 ASP 36 6 6 ASP ASP D . n D 2 37 PHE 37 7 7 PHE PHE D . n D 2 38 VAL 38 8 8 VAL VAL D . n D 2 39 TYR 39 9 9 TYR TYR D . n D 2 40 GLN 40 10 10 GLN GLN D . n D 2 41 PHE 41 11 11 PHE PHE D . n D 2 42 LYS 42 12 12 LYS LYS D . n D 2 43 GLY 43 13 13 GLY GLY D . n D 2 44 MET 44 14 14 MET MET D . n D 2 45 CYS 45 15 15 CYS CYS D . n D 2 46 TYR 46 16 16 TYR TYR D . n D 2 47 PHE 47 17 17 PHE PHE D . n D 2 48 THR 48 18 18 THR THR D . n D 2 49 ASN 49 19 19 ASN ASN D . n D 2 50 GLY 50 20 20 GLY GLY D . n D 2 51 THR 51 21 21 THR THR D . n D 2 52 GLU 52 22 22 GLU GLU D . n D 2 53 ARG 53 23 23 ARG ARG D . n D 2 54 VAL 54 24 24 VAL VAL D . n D 2 55 ARG 55 25 25 ARG ARG D . n D 2 56 LEU 56 26 26 LEU LEU D . n D 2 57 VAL 57 27 27 VAL VAL D . n D 2 58 THR 58 28 28 THR THR D . n D 2 59 ARG 59 29 29 ARG ARG D . n D 2 60 TYR 60 30 30 TYR TYR D . n D 2 61 ILE 61 31 31 ILE ILE D . n D 2 62 TYR 62 32 32 TYR TYR D . n D 2 63 ASN 63 33 33 ASN ASN D . n D 2 64 ARG 64 34 34 ARG ARG D . n D 2 65 GLU 65 35 35 GLU GLU D . n D 2 66 GLU 66 36 36 GLU GLU D . n D 2 67 TYR 67 37 37 TYR TYR D . n D 2 68 ALA 68 38 38 ALA ALA D . n D 2 69 ARG 69 39 39 ARG ARG D . n D 2 70 PHE 70 40 40 PHE PHE D . n D 2 71 ASP 71 41 41 ASP ASP D . n D 2 72 SER 72 42 42 SER SER D . n D 2 73 ASP 73 43 43 ASP ASP D . n D 2 74 VAL 74 44 44 VAL VAL D . n D 2 75 GLY 75 45 45 GLY GLY D . n D 2 76 VAL 76 46 46 VAL VAL D . n D 2 77 TYR 77 47 47 TYR TYR D . n D 2 78 ARG 78 48 48 ARG ARG D . n D 2 79 ALA 79 49 49 ALA ALA D . n D 2 80 VAL 80 50 50 VAL VAL D . n D 2 81 THR 81 51 51 THR THR D . n D 2 82 PRO 82 52 52 PRO PRO D . n D 2 83 LEU 83 53 53 LEU LEU D . n D 2 84 GLY 84 54 54 GLY GLY D . n D 2 85 PRO 85 55 55 PRO PRO D . n D 2 86 PRO 86 56 56 PRO PRO D . n D 2 87 ALA 87 57 57 ALA ALA D . n D 2 88 ALA 88 58 58 ALA ALA D . n D 2 89 GLU 89 59 59 GLU GLU D . n D 2 90 TYR 90 60 60 TYR TYR D . n D 2 91 TRP 91 61 61 TRP TRP D . n D 2 92 ASN 92 62 62 ASN ASN D . n D 2 93 SER 93 63 63 SER SER D . n D 2 94 GLN 94 64 64 GLN GLN D . n D 2 95 LYS 95 65 65 LYS LYS D . n D 2 96 GLU 96 66 66 GLU GLU D . n D 2 97 VAL 97 67 67 VAL VAL D . n D 2 98 LEU 98 68 68 LEU LEU D . n D 2 99 GLU 99 69 69 GLU GLU D . n D 2 100 ARG 100 70 70 ARG ARG D . n D 2 101 THR 101 71 71 THR THR D . n D 2 102 ARG 102 72 72 ARG ARG D . n D 2 103 ALA 103 73 73 ALA ALA D . n D 2 104 GLU 104 74 74 GLU GLU D . n D 2 105 LEU 105 75 75 LEU LEU D . n D 2 106 ASP 106 76 76 ASP ASP D . n D 2 107 THR 107 77 77 THR THR D . n D 2 108 VAL 108 78 78 VAL VAL D . n D 2 109 CYS 109 79 79 CYS CYS D . n D 2 110 ARG 110 80 80 ARG ARG D . n D 2 111 HIS 111 81 81 HIS HIS D . n D 2 112 ASN 112 82 82 ASN ASN D . n D 2 113 TYR 113 83 83 TYR TYR D . n D 2 114 GLN 114 84 84 GLN GLN D . n D 2 115 LEU 115 85 85 LEU LEU D . n D 2 116 GLU 116 86 86 GLU GLU D . n D 2 117 LEU 117 87 87 LEU LEU D . n D 2 118 ARG 118 88 88 ARG ARG D . n D 2 119 THR 119 89 89 THR THR D . n D 2 120 THR 120 90 90 THR THR D . n D 2 121 LEU 121 91 91 LEU LEU D . n D 2 122 GLN 122 92 92 GLN GLN D . n D 2 123 ARG 123 93 93 ARG ARG D . n D 2 124 ARG 124 94 94 ARG ARG D . n D 2 125 VAL 125 95 95 VAL VAL D . n D 2 126 GLU 126 96 96 GLU GLU D . n D 2 127 PRO 127 97 97 PRO PRO D . n D 2 128 THR 128 98 98 THR THR D . n D 2 129 VAL 129 99 99 VAL VAL D . n D 2 130 THR 130 100 100 THR THR D . n D 2 131 ILE 131 101 101 ILE ILE D . n D 2 132 SER 132 102 102 SER SER D . n D 2 133 PRO 133 103 103 PRO PRO D . n D 2 134 SER 134 104 ? ? ? D . n D 2 135 ARG 135 105 ? ? ? D . n D 2 136 THR 136 106 ? ? ? D . n D 2 137 GLU 137 107 ? ? ? D . n D 2 138 ALA 138 108 ? ? ? D . n D 2 139 LEU 139 109 ? ? ? D . n D 2 140 ASN 140 110 ? ? ? D . n D 2 141 HIS 141 111 ? ? ? D . n D 2 142 HIS 142 112 ? ? ? D . n D 2 143 ASN 143 113 ? ? ? D . n D 2 144 LEU 144 114 114 LEU LEU D . n D 2 145 LEU 145 115 115 LEU LEU D . n D 2 146 VAL 146 116 116 VAL VAL D . n D 2 147 CYS 147 117 117 CYS CYS D . n D 2 148 SER 148 118 118 SER SER D . n D 2 149 VAL 149 119 119 VAL VAL D . n D 2 150 THR 150 120 120 THR THR D . n D 2 151 ASP 151 121 121 ASP ASP D . n D 2 152 PHE 152 122 122 PHE PHE D . n D 2 153 TYR 153 123 123 TYR TYR D . n D 2 154 PRO 154 124 124 PRO PRO D . n D 2 155 ALA 155 125 125 ALA ALA D . n D 2 156 GLN 156 126 126 GLN GLN D . n D 2 157 ILE 157 127 127 ILE ILE D . n D 2 158 LYS 158 128 128 LYS LYS D . n D 2 159 VAL 159 129 129 VAL VAL D . n D 2 160 ARG 160 130 130 ARG ARG D . n D 2 161 TRP 161 131 131 TRP TRP D . n D 2 162 PHE 162 132 132 PHE PHE D . n D 2 163 ARG 163 133 133 ARG ARG D . n D 2 164 ASN 164 134 134 ASN ASN D . n D 2 165 ASP 165 135 135 ASP ASP D . n D 2 166 GLN 166 136 136 GLN GLN D . n D 2 167 GLU 167 137 137 GLU GLU D . n D 2 168 GLU 168 138 138 GLU GLU D . n D 2 169 THR 169 139 139 THR THR D . n D 2 170 THR 170 140 140 THR THR D . n D 2 171 GLY 171 141 141 GLY GLY D . n D 2 172 VAL 172 142 142 VAL VAL D . n D 2 173 VAL 173 143 143 VAL VAL D . n D 2 174 SER 174 144 144 SER SER D . n D 2 175 THR 175 145 145 THR THR D . n D 2 176 PRO 176 146 146 PRO PRO D . n D 2 177 LEU 177 147 147 LEU LEU D . n D 2 178 ILE 178 148 148 ILE ILE D . n D 2 179 ARG 179 149 149 ARG ARG D . n D 2 180 ASN 180 150 150 ASN ASN D . n D 2 181 GLY 181 151 151 GLY GLY D . n D 2 182 ASP 182 152 152 ASP ASP D . n D 2 183 TRP 183 153 153 TRP TRP D . n D 2 184 THR 184 154 154 THR THR D . n D 2 185 PHE 185 155 155 PHE PHE D . n D 2 186 GLN 186 156 156 GLN GLN D . n D 2 187 ILE 187 157 157 ILE ILE D . n D 2 188 LEU 188 158 158 LEU LEU D . n D 2 189 VAL 189 159 159 VAL VAL D . n D 2 190 MET 190 160 160 MET MET D . n D 2 191 LEU 191 161 161 LEU LEU D . n D 2 192 GLU 192 162 162 GLU GLU D . n D 2 193 MET 193 163 163 MET MET D . n D 2 194 THR 194 164 ? ? ? D . n D 2 195 PRO 195 165 ? ? ? D . n D 2 196 GLN 196 166 ? ? ? D . n D 2 197 ARG 197 167 ? ? ? D . n D 2 198 GLY 198 168 ? ? ? D . n D 2 199 ASP 199 169 169 ASP ASP D . n D 2 200 VAL 200 170 170 VAL VAL D . n D 2 201 TYR 201 171 171 TYR TYR D . n D 2 202 THR 202 172 172 THR THR D . n D 2 203 CYS 203 173 173 CYS CYS D . n D 2 204 HIS 204 174 174 HIS HIS D . n D 2 205 VAL 205 175 175 VAL VAL D . n D 2 206 GLU 206 176 176 GLU GLU D . n D 2 207 HIS 207 177 177 HIS HIS D . n D 2 208 PRO 208 178 178 PRO PRO D . n D 2 209 SER 209 179 179 SER SER D . n D 2 210 LEU 210 180 180 LEU LEU D . n D 2 211 GLN 211 181 181 GLN GLN D . n D 2 212 ASN 212 182 182 ASN ASN D . n D 2 213 PRO 213 183 183 PRO PRO D . n D 2 214 ILE 214 184 184 ILE ILE D . n D 2 215 ILE 215 185 185 ILE ILE D . n D 2 216 VAL 216 186 186 VAL VAL D . n D 2 217 GLU 217 187 187 GLU GLU D . n D 2 218 TRP 218 188 188 TRP TRP D . n D 2 219 ARG 219 189 189 ARG ARG D . n D 2 220 ALA 220 190 ? ? ? D . n D 2 221 GLN 221 191 ? ? ? D . n D 2 222 SER 222 192 ? ? ? D . n D 2 223 THR 223 193 ? ? ? D . n D 2 224 GLY 224 194 ? ? ? D . n D 2 225 GLY 225 195 ? ? ? D . n D 2 226 ASP 226 196 ? ? ? D . n D 2 227 ASP 227 197 ? ? ? D . n D 2 228 ASP 228 198 ? ? ? D . n D 2 229 ASP 229 199 ? ? ? D . n D 2 230 LYS 230 200 ? ? ? D . n E 3 1 MET 1 6 ? ? ? E . n E 3 2 GLU 2 7 ? ? ? E . n E 3 3 ASP 3 8 ? ? ? E . n E 3 4 GLN 4 9 9 GLN GLN E . n E 3 5 VAL 5 10 10 VAL VAL E . n E 3 6 THR 6 11 11 THR THR E . n E 3 7 GLN 7 12 12 GLN GLN E . n E 3 8 SER 8 13 13 SER SER E . n E 3 9 PRO 9 14 14 PRO PRO E . n E 3 10 GLU 10 15 15 GLU GLU E . n E 3 11 ALA 11 16 16 ALA ALA E . n E 3 12 LEU 12 17 17 LEU LEU E . n E 3 13 ARG 13 18 18 ARG ARG E . n E 3 14 LEU 14 19 19 LEU LEU E . n E 3 15 GLN 15 20 20 GLN GLN E . n E 3 16 GLU 16 21 21 GLU GLU E . n E 3 17 GLY 17 22 22 GLY GLY E . n E 3 18 GLU 18 23 23 GLU GLU E . n E 3 19 SER 19 24 24 SER SER E . n E 3 20 SER 20 25 25 SER SER E . n E 3 21 SER 21 26 26 SER SER E . n E 3 22 LEU 22 27 27 LEU LEU E . n E 3 23 ASN 23 28 28 ASN ASN E . n E 3 24 CYS 24 29 29 CYS CYS E . n E 3 25 SER 25 30 30 SER SER E . n E 3 26 TYR 26 31 31 TYR TYR E . n E 3 27 THR 27 32 32 THR THR E . n E 3 28 VAL 28 33 33 VAL VAL E . n E 3 29 SER 29 34 34 SER SER E . n E 3 30 GLY 30 35 35 GLY GLY E . n E 3 31 LEU 31 36 36 LEU LEU E . n E 3 32 ARG 32 37 37 ARG ARG E . n E 3 33 GLY 33 38 38 GLY GLY E . n E 3 34 LEU 34 39 39 LEU LEU E . n E 3 35 PHE 35 40 40 PHE PHE E . n E 3 36 TRP 36 41 41 TRP TRP E . n E 3 37 TYR 37 42 42 TYR TYR E . n E 3 38 ARG 38 43 43 ARG ARG E . n E 3 39 GLN 39 44 44 GLN GLN E . n E 3 40 ASP 40 45 45 ASP ASP E . n E 3 41 PRO 41 46 46 PRO PRO E . n E 3 42 GLY 42 47 47 GLY GLY E . n E 3 43 LYS 43 48 48 LYS LYS E . n E 3 44 GLY 44 49 49 GLY GLY E . n E 3 45 PRO 45 50 50 PRO PRO E . n E 3 46 GLU 46 51 51 GLU GLU E . n E 3 47 PHE 47 52 52 PHE PHE E . n E 3 48 LEU 48 53 53 LEU LEU E . n E 3 49 PHE 49 54 54 PHE PHE E . n E 3 50 THR 50 55 55 THR THR E . n E 3 51 LEU 51 56 56 LEU LEU E . n E 3 52 TYR 52 57 57 TYR TYR E . n E 3 53 SER 53 58 58 SER SER E . n E 3 54 ALA 54 59 59 ALA ALA E . n E 3 55 GLY 55 63 63 GLY GLY E . n E 3 56 GLU 56 64 64 GLU GLU E . n E 3 57 GLU 57 65 65 GLU GLU E . n E 3 58 LYS 58 66 66 LYS LYS E . n E 3 59 GLU 59 67 67 GLU GLU E . n E 3 60 LYS 60 68 68 LYS LYS E . n E 3 61 GLU 61 74 74 GLU GLU E . n E 3 62 ARG 62 75 75 ARG ARG E . n E 3 63 LEU 63 76 76 LEU LEU E . n E 3 64 LYS 64 77 77 LYS LYS E . n E 3 65 ALA 65 78 78 ALA ALA E . n E 3 66 THR 66 79 79 THR THR E . n E 3 67 LEU 67 80 80 LEU LEU E . n E 3 68 THR 68 81 81 THR THR E . n E 3 69 LYS 69 82 82 LYS LYS E . n E 3 70 LYS 70 85 85 LYS LYS E . n E 3 71 GLU 71 86 86 GLU GLU E . n E 3 72 SER 72 87 87 SER SER E . n E 3 73 PHE 73 88 88 PHE PHE E . n E 3 74 LEU 74 89 89 LEU LEU E . n E 3 75 HIS 75 90 90 HIS HIS E . n E 3 76 ILE 76 91 91 ILE ILE E . n E 3 77 THR 77 92 92 THR THR E . n E 3 78 ALA 78 93 93 ALA ALA E . n E 3 79 PRO 79 94 94 PRO PRO E . n E 3 80 LYS 80 95 95 LYS LYS E . n E 3 81 PRO 81 96 96 PRO PRO E . n E 3 82 GLU 82 97 97 GLU GLU E . n E 3 83 ASP 83 98 98 ASP ASP E . n E 3 84 SER 84 99 99 SER SER E . n E 3 85 ALA 85 100 100 ALA ALA E . n E 3 86 THR 86 101 101 THR THR E . n E 3 87 TYR 87 102 102 TYR TYR E . n E 3 88 LEU 88 103 103 LEU LEU E . n E 3 89 CYS 89 104 104 CYS CYS E . n E 3 90 ALA 90 105 105 ALA ALA E . n E 3 91 VAL 91 106 106 VAL VAL E . n E 3 92 ALA 92 107 107 ALA ALA E . n E 3 93 LEU 93 108 108 LEU LEU E . n E 3 94 ASN 94 109 109 ASN ASN E . n E 3 95 ASN 95 110 110 ASN ASN E . n E 3 96 ASN 96 111 111 ASN ASN E . n E 3 97 ALA 97 112 112 ALA ALA E . n E 3 98 GLY 98 113 113 GLY GLY E . n E 3 99 ASN 99 114 114 ASN ASN E . n E 3 100 MET 100 115 115 MET MET E . n E 3 101 LEU 101 116 116 LEU LEU E . n E 3 102 THR 102 117 117 THR THR E . n E 3 103 PHE 103 118 118 PHE PHE E . n E 3 104 GLY 104 119 119 GLY GLY E . n E 3 105 GLY 105 120 120 GLY GLY E . n E 3 106 GLY 106 121 121 GLY GLY E . n E 3 107 THR 107 122 122 THR THR E . n E 3 108 ARG 108 123 123 ARG ARG E . n E 3 109 LEU 109 124 124 LEU LEU E . n E 3 110 MET 110 125 125 MET MET E . n E 3 111 VAL 111 126 126 VAL VAL E . n E 3 112 LYS 112 127 127 LYS LYS E . n E 3 113 PRO 113 128 128 PRO PRO E . n E 3 114 HIS 114 129 129 HIS HIS E . n E 3 115 ILE 115 130 130 ILE ILE E . n E 3 116 GLN 116 131 131 GLN GLN E . n E 3 117 ASN 117 132 132 ASN ASN E . n E 3 118 PRO 118 133 133 PRO PRO E . n E 3 119 ASP 119 134 134 ASP ASP E . n E 3 120 PRO 120 135 135 PRO PRO E . n E 3 121 ALA 121 136 136 ALA ALA E . n E 3 122 VAL 122 137 137 VAL VAL E . n E 3 123 TYR 123 138 138 TYR TYR E . n E 3 124 GLN 124 139 139 GLN GLN E . n E 3 125 LEU 125 140 140 LEU LEU E . n E 3 126 ARG 126 141 141 ARG ARG E . n E 3 127 ASP 127 142 142 ASP ASP E . n E 3 128 SER 128 143 143 SER SER E . n E 3 129 LYS 129 144 144 LYS LYS E . n E 3 130 SER 130 145 145 SER SER E . n E 3 131 SER 131 146 146 SER SER E . n E 3 132 ASP 132 147 147 ASP ASP E . n E 3 133 LYS 133 148 148 LYS LYS E . n E 3 134 SER 134 149 149 SER SER E . n E 3 135 VAL 135 150 150 VAL VAL E . n E 3 136 CYS 136 151 151 CYS CYS E . n E 3 137 LEU 137 152 152 LEU LEU E . n E 3 138 PHE 138 153 153 PHE PHE E . n E 3 139 THR 139 154 154 THR THR E . n E 3 140 ASP 140 155 155 ASP ASP E . n E 3 141 PHE 141 156 156 PHE PHE E . n E 3 142 ASP 142 157 157 ASP ASP E . n E 3 143 SER 143 158 158 SER SER E . n E 3 144 GLN 144 159 159 GLN GLN E . n E 3 145 THR 145 160 160 THR THR E . n E 3 146 ASN 146 161 161 ASN ASN E . n E 3 147 VAL 147 162 162 VAL VAL E . n E 3 148 SER 148 163 163 SER SER E . n E 3 149 GLN 149 164 164 GLN GLN E . n E 3 150 SER 150 165 165 SER SER E . n E 3 151 LYS 151 166 166 LYS LYS E . n E 3 152 ASP 152 167 167 ASP ASP E . n E 3 153 SER 153 168 168 SER SER E . n E 3 154 ASP 154 169 169 ASP ASP E . n E 3 155 VAL 155 170 170 VAL VAL E . n E 3 156 TYR 156 171 171 TYR TYR E . n E 3 157 ILE 157 172 172 ILE ILE E . n E 3 158 THR 158 173 173 THR THR E . n E 3 159 ASP 159 174 174 ASP ASP E . n E 3 160 LYS 160 175 175 LYS LYS E . n E 3 161 CYS 161 176 176 CYS CYS E . n E 3 162 VAL 162 177 177 VAL VAL E . n E 3 163 LEU 163 178 178 LEU LEU E . n E 3 164 ASP 164 179 179 ASP ASP E . n E 3 165 MET 165 180 180 MET MET E . n E 3 166 ARG 166 181 181 ARG ARG E . n E 3 167 SER 167 182 182 SER SER E . n E 3 168 MET 168 183 183 MET MET E . n E 3 169 ASP 169 184 184 ASP ASP E . n E 3 170 PHE 170 185 185 PHE PHE E . n E 3 171 LYS 171 186 186 LYS LYS E . n E 3 172 SER 172 187 187 SER SER E . n E 3 173 ASN 173 188 188 ASN ASN E . n E 3 174 SER 174 189 189 SER SER E . n E 3 175 ALA 175 190 190 ALA ALA E . n E 3 176 VAL 176 191 191 VAL VAL E . n E 3 177 ALA 177 192 192 ALA ALA E . n E 3 178 TRP 178 193 193 TRP TRP E . n E 3 179 SER 179 194 194 SER SER E . n E 3 180 ASN 180 195 195 ASN ASN E . n E 3 181 LYS 181 196 196 LYS LYS E . n E 3 182 SER 182 197 197 SER SER E . n E 3 183 ASP 183 198 198 ASP ASP E . n E 3 184 PHE 184 199 199 PHE PHE E . n E 3 185 ALA 185 200 200 ALA ALA E . n E 3 186 CYS 186 201 201 CYS CYS E . n E 3 187 ALA 187 202 202 ALA ALA E . n E 3 188 ASN 188 203 203 ASN ASN E . n E 3 189 ALA 189 204 204 ALA ALA E . n E 3 190 PHE 190 205 205 PHE PHE E . n E 3 191 ASN 191 206 206 ASN ASN E . n E 3 192 ASN 192 207 207 ASN ASN E . n E 3 193 SER 193 208 208 SER SER E . n E 3 194 ILE 194 209 209 ILE ILE E . n E 3 195 ILE 195 210 210 ILE ILE E . n E 3 196 PRO 196 211 211 PRO PRO E . n E 3 197 GLU 197 212 ? ? ? E . n E 3 198 ASP 198 213 ? ? ? E . n E 3 199 THR 199 214 ? ? ? E . n E 3 200 PHE 200 215 ? ? ? E . n E 3 201 PHE 201 216 ? ? ? E . n E 3 202 PRO 202 217 ? ? ? E . n E 3 203 SER 203 218 ? ? ? E . n E 3 204 PRO 204 219 ? ? ? E . n E 3 205 GLU 205 220 ? ? ? E . n E 3 206 SER 206 221 ? ? ? E . n E 3 207 SER 207 222 ? ? ? E . n F 4 1 MET 1 2 ? ? ? F . n F 4 2 GLY 2 3 3 GLY GLY F . n F 4 3 VAL 3 4 4 VAL VAL F . n F 4 4 THR 4 5 5 THR THR F . n F 4 5 GLN 5 6 6 GLN GLN F . n F 4 6 THR 6 7 7 THR THR F . n F 4 7 PRO 7 8 8 PRO PRO F . n F 4 8 LYS 8 9 9 LYS LYS F . n F 4 9 HIS 9 10 10 HIS HIS F . n F 4 10 LEU 10 11 11 LEU LEU F . n F 4 11 ILE 11 12 12 ILE ILE F . n F 4 12 THR 12 13 13 THR THR F . n F 4 13 ALA 13 14 14 ALA ALA F . n F 4 14 THR 14 15 15 THR THR F . n F 4 15 GLY 15 16 16 GLY GLY F . n F 4 16 GLN 16 17 17 GLN GLN F . n F 4 17 ARG 17 18 18 ARG ARG F . n F 4 18 VAL 18 19 19 VAL VAL F . n F 4 19 THR 19 20 20 THR THR F . n F 4 20 LEU 20 21 21 LEU LEU F . n F 4 21 ARG 21 22 22 ARG ARG F . n F 4 22 CYS 22 23 23 CYS CYS F . n F 4 23 SER 23 24 24 SER SER F . n F 4 24 PRO 24 25 25 PRO PRO F . n F 4 25 ARG 25 26 26 ARG ARG F . n F 4 26 SER 26 27 27 SER SER F . n F 4 27 GLY 27 28 28 GLY GLY F . n F 4 28 ASP 28 29 29 ASP ASP F . n F 4 29 LEU 29 37 37 LEU LEU F . n F 4 30 SER 30 38 38 SER SER F . n F 4 31 VAL 31 39 39 VAL VAL F . n F 4 32 TYR 32 40 40 TYR TYR F . n F 4 33 TRP 33 41 41 TRP TRP F . n F 4 34 TYR 34 42 42 TYR TYR F . n F 4 35 GLN 35 43 43 GLN GLN F . n F 4 36 GLN 36 44 44 GLN GLN F . n F 4 37 SER 37 45 45 SER SER F . n F 4 38 LEU 38 46 46 LEU LEU F . n F 4 39 ASP 39 47 47 ASP ASP F . n F 4 40 GLN 40 48 48 GLN GLN F . n F 4 41 GLY 41 49 49 GLY GLY F . n F 4 42 LEU 42 50 50 LEU LEU F . n F 4 43 GLN 43 51 51 GLN GLN F . n F 4 44 PHE 44 52 52 PHE PHE F . n F 4 45 LEU 45 53 53 LEU LEU F . n F 4 46 ILE 46 54 54 ILE ILE F . n F 4 47 GLN 47 55 55 GLN GLN F . n F 4 48 TYR 48 56 56 TYR TYR F . n F 4 49 TYR 49 57 57 TYR TYR F . n F 4 50 ASN 50 58 58 ASN ASN F . n F 4 51 GLY 51 63 63 GLY GLY F . n F 4 52 GLU 52 64 64 GLU GLU F . n F 4 53 GLU 53 65 65 GLU GLU F . n F 4 54 ARG 54 66 66 ARG ARG F . n F 4 55 ALA 55 67 67 ALA ALA F . n F 4 56 LYS 56 68 68 LYS LYS F . n F 4 57 GLY 57 69 69 GLY GLY F . n F 4 58 ASN 58 70 70 ASN ASN F . n F 4 59 ILE 59 71 71 ILE ILE F . n F 4 60 LEU 60 72 72 LEU LEU F . n F 4 61 GLU 61 74 74 GLU GLU F . n F 4 62 ARG 62 75 75 ARG ARG F . n F 4 63 PHE 63 76 76 PHE PHE F . n F 4 64 SER 64 77 77 SER SER F . n F 4 65 ALA 65 78 78 ALA ALA F . n F 4 66 GLN 66 79 79 GLN GLN F . n F 4 67 GLN 67 80 80 GLN GLN F . n F 4 68 PHE 68 81 81 PHE PHE F . n F 4 69 PRO 69 83 83 PRO PRO F . n F 4 70 ASP 70 84 84 ASP ASP F . n F 4 71 LEU 71 85 85 LEU LEU F . n F 4 72 HIS 72 86 86 HIS HIS F . n F 4 73 SER 73 87 87 SER SER F . n F 4 74 GLU 74 88 88 GLU GLU F . n F 4 75 LEU 75 89 89 LEU LEU F . n F 4 76 ASN 76 90 90 ASN ASN F . n F 4 77 LEU 77 91 91 LEU LEU F . n F 4 78 SER 78 92 92 SER SER F . n F 4 79 SER 79 93 93 SER SER F . n F 4 80 LEU 80 94 94 LEU LEU F . n F 4 81 GLU 81 95 95 GLU GLU F . n F 4 82 LEU 82 96 96 LEU LEU F . n F 4 83 GLY 83 97 97 GLY GLY F . n F 4 84 ASP 84 98 98 ASP ASP F . n F 4 85 SER 85 99 99 SER SER F . n F 4 86 ALA 86 100 100 ALA ALA F . n F 4 87 LEU 87 101 101 LEU LEU F . n F 4 88 TYR 88 102 102 TYR TYR F . n F 4 89 PHE 89 103 103 PHE PHE F . n F 4 90 CYS 90 104 104 CYS CYS F . n F 4 91 ALA 91 105 105 ALA ALA F . n F 4 92 SER 92 106 106 SER SER F . n F 4 93 SER 93 107 107 SER SER F . n F 4 94 VAL 94 108 108 VAL VAL F . n F 4 95 ALA 95 109 109 ALA ALA F . n F 4 96 PRO 96 110 110 PRO PRO F . n F 4 97 GLY 97 111 111 GLY GLY F . n F 4 98 SER 98 113 113 SER SER F . n F 4 99 ASP 99 114 114 ASP ASP F . n F 4 100 THR 100 115 115 THR THR F . n F 4 101 GLN 101 116 116 GLN GLN F . n F 4 102 TYR 102 117 117 TYR TYR F . n F 4 103 PHE 103 118 118 PHE PHE F . n F 4 104 GLY 104 119 119 GLY GLY F . n F 4 105 PRO 105 120 120 PRO PRO F . n F 4 106 GLY 106 121 121 GLY GLY F . n F 4 107 THR 107 122 122 THR THR F . n F 4 108 ARG 108 123 123 ARG ARG F . n F 4 109 LEU 109 124 124 LEU LEU F . n F 4 110 THR 110 125 125 THR THR F . n F 4 111 VAL 111 126 126 VAL VAL F . n F 4 112 LEU 112 127 127 LEU LEU F . n F 4 113 GLU 113 128 128 GLU GLU F . n F 4 114 ASP 114 129 129 ASP ASP F . n F 4 115 LEU 115 130 130 LEU LEU F . n F 4 116 LYS 116 131 131 LYS LYS F . n F 4 117 ASN 117 132 132 ASN ASN F . n F 4 118 VAL 118 133 133 VAL VAL F . n F 4 119 PHE 119 134 134 PHE PHE F . n F 4 120 PRO 120 135 135 PRO PRO F . n F 4 121 PRO 121 136 136 PRO PRO F . n F 4 122 GLU 122 137 137 GLU GLU F . n F 4 123 VAL 123 138 138 VAL VAL F . n F 4 124 ALA 124 139 139 ALA ALA F . n F 4 125 VAL 125 140 140 VAL VAL F . n F 4 126 PHE 126 141 141 PHE PHE F . n F 4 127 GLU 127 142 142 GLU GLU F . n F 4 128 PRO 128 143 143 PRO PRO F . n F 4 129 SER 129 144 144 SER SER F . n F 4 130 GLU 130 145 145 GLU GLU F . n F 4 131 ALA 131 146 146 ALA ALA F . n F 4 132 GLU 132 147 147 GLU GLU F . n F 4 133 ILE 133 148 148 ILE ILE F . n F 4 134 SER 134 149 149 SER SER F . n F 4 135 HIS 135 150 150 HIS HIS F . n F 4 136 THR 136 151 151 THR THR F . n F 4 137 GLN 137 152 152 GLN GLN F . n F 4 138 LYS 138 153 153 LYS LYS F . n F 4 139 ALA 139 154 154 ALA ALA F . n F 4 140 THR 140 155 155 THR THR F . n F 4 141 LEU 141 156 156 LEU LEU F . n F 4 142 VAL 142 157 157 VAL VAL F . n F 4 143 CYS 143 158 158 CYS CYS F . n F 4 144 LEU 144 159 159 LEU LEU F . n F 4 145 ALA 145 160 160 ALA ALA F . n F 4 146 THR 146 161 161 THR THR F . n F 4 147 GLY 147 162 162 GLY GLY F . n F 4 148 PHE 148 163 163 PHE PHE F . n F 4 149 PHE 149 164 164 PHE PHE F . n F 4 150 PRO 150 165 165 PRO PRO F . n F 4 151 ASP 151 166 166 ASP ASP F . n F 4 152 HIS 152 167 167 HIS HIS F . n F 4 153 VAL 153 168 168 VAL VAL F . n F 4 154 GLU 154 169 169 GLU GLU F . n F 4 155 LEU 155 170 170 LEU LEU F . n F 4 156 SER 156 171 171 SER SER F . n F 4 157 TRP 157 172 172 TRP TRP F . n F 4 158 TRP 158 173 173 TRP TRP F . n F 4 159 VAL 159 174 174 VAL VAL F . n F 4 160 ASN 160 175 175 ASN ASN F . n F 4 161 GLY 161 176 176 GLY GLY F . n F 4 162 LYS 162 177 177 LYS LYS F . n F 4 163 GLU 163 178 178 GLU GLU F . n F 4 164 VAL 164 179 179 VAL VAL F . n F 4 165 HIS 165 180 180 HIS HIS F . n F 4 166 SER 166 181 181 SER SER F . n F 4 167 GLY 167 182 182 GLY GLY F . n F 4 168 VAL 168 183 183 VAL VAL F . n F 4 169 CYS 169 184 184 CYS CYS F . n F 4 170 THR 170 185 185 THR THR F . n F 4 171 ASP 171 186 186 ASP ASP F . n F 4 172 PRO 172 187 187 PRO PRO F . n F 4 173 GLN 173 188 188 GLN GLN F . n F 4 174 PRO 174 189 189 PRO PRO F . n F 4 175 LEU 175 190 190 LEU LEU F . n F 4 176 LYS 176 191 191 LYS LYS F . n F 4 177 GLU 177 192 192 GLU GLU F . n F 4 178 GLN 178 193 193 GLN GLN F . n F 4 179 PRO 179 194 194 PRO PRO F . n F 4 180 ALA 180 195 195 ALA ALA F . n F 4 181 LEU 181 196 196 LEU LEU F . n F 4 182 ASN 182 197 197 ASN ASN F . n F 4 183 ASP 183 198 198 ASP ASP F . n F 4 184 SER 184 199 199 SER SER F . n F 4 185 ARG 185 200 200 ARG ARG F . n F 4 186 TYR 186 201 201 TYR TYR F . n F 4 187 ALA 187 202 202 ALA ALA F . n F 4 188 LEU 188 203 203 LEU LEU F . n F 4 189 SER 189 204 204 SER SER F . n F 4 190 SER 190 205 205 SER SER F . n F 4 191 ARG 191 206 206 ARG ARG F . n F 4 192 LEU 192 207 207 LEU LEU F . n F 4 193 ARG 193 208 208 ARG ARG F . n F 4 194 VAL 194 209 209 VAL VAL F . n F 4 195 SER 195 210 210 SER SER F . n F 4 196 ALA 196 211 211 ALA ALA F . n F 4 197 THR 197 212 212 THR THR F . n F 4 198 PHE 198 213 213 PHE PHE F . n F 4 199 TRP 199 214 214 TRP TRP F . n F 4 200 GLN 200 215 215 GLN GLN F . n F 4 201 ASN 201 216 216 ASN ASN F . n F 4 202 PRO 202 217 217 PRO PRO F . n F 4 203 ARG 203 218 218 ARG ARG F . n F 4 204 ASN 204 219 219 ASN ASN F . n F 4 205 HIS 205 220 220 HIS HIS F . n F 4 206 PHE 206 221 221 PHE PHE F . n F 4 207 ARG 207 222 222 ARG ARG F . n F 4 208 CYS 208 223 223 CYS CYS F . n F 4 209 GLN 209 224 224 GLN GLN F . n F 4 210 VAL 210 225 225 VAL VAL F . n F 4 211 GLN 211 226 226 GLN GLN F . n F 4 212 PHE 212 227 227 PHE PHE F . n F 4 213 TYR 213 228 228 TYR TYR F . n F 4 214 GLY 214 229 229 GLY GLY F . n F 4 215 LEU 215 230 230 LEU LEU F . n F 4 216 SER 216 231 231 SER SER F . n F 4 217 GLU 217 232 232 GLU GLU F . n F 4 218 ASN 218 233 233 ASN ASN F . n F 4 219 ASP 219 234 234 ASP ASP F . n F 4 220 GLU 220 235 235 GLU GLU F . n F 4 221 TRP 221 236 236 TRP TRP F . n F 4 222 THR 222 237 237 THR THR F . n F 4 223 GLN 223 238 238 GLN GLN F . n F 4 224 ASP 224 239 239 ASP ASP F . n F 4 225 ARG 225 240 240 ARG ARG F . n F 4 226 ALA 226 241 241 ALA ALA F . n F 4 227 LYS 227 242 242 LYS LYS F . n F 4 228 PRO 228 243 243 PRO PRO F . n F 4 229 VAL 229 244 244 VAL VAL F . n F 4 230 THR 230 245 245 THR THR F . n F 4 231 GLN 231 246 246 GLN GLN F . n F 4 232 ILE 232 247 247 ILE ILE F . n F 4 233 VAL 233 248 248 VAL VAL F . n F 4 234 SER 234 249 249 SER SER F . n F 4 235 ALA 235 250 250 ALA ALA F . n F 4 236 GLU 236 251 251 GLU GLU F . n F 4 237 ALA 237 252 252 ALA ALA F . n F 4 238 TRP 238 253 253 TRP TRP F . n F 4 239 GLY 239 254 254 GLY GLY F . n F 4 240 ARG 240 255 255 ARG ARG F . n F 4 241 ALA 241 256 256 ALA ALA F . n F 4 242 ASP 242 257 ? ? ? F . n G 3 1 MET 1 6 ? ? ? G . n G 3 2 GLU 2 7 ? ? ? G . n G 3 3 ASP 3 8 ? ? ? G . n G 3 4 GLN 4 9 9 GLN GLN G . n G 3 5 VAL 5 10 10 VAL VAL G . n G 3 6 THR 6 11 11 THR THR G . n G 3 7 GLN 7 12 12 GLN GLN G . n G 3 8 SER 8 13 13 SER SER G . n G 3 9 PRO 9 14 14 PRO PRO G . n G 3 10 GLU 10 15 15 GLU GLU G . n G 3 11 ALA 11 16 16 ALA ALA G . n G 3 12 LEU 12 17 17 LEU LEU G . n G 3 13 ARG 13 18 18 ARG ARG G . n G 3 14 LEU 14 19 19 LEU LEU G . n G 3 15 GLN 15 20 20 GLN GLN G . n G 3 16 GLU 16 21 21 GLU GLU G . n G 3 17 GLY 17 22 22 GLY GLY G . n G 3 18 GLU 18 23 23 GLU GLU G . n G 3 19 SER 19 24 24 SER SER G . n G 3 20 SER 20 25 25 SER SER G . n G 3 21 SER 21 26 26 SER SER G . n G 3 22 LEU 22 27 27 LEU LEU G . n G 3 23 ASN 23 28 28 ASN ASN G . n G 3 24 CYS 24 29 29 CYS CYS G . n G 3 25 SER 25 30 30 SER SER G . n G 3 26 TYR 26 31 31 TYR TYR G . n G 3 27 THR 27 32 32 THR THR G . n G 3 28 VAL 28 33 33 VAL VAL G . n G 3 29 SER 29 34 34 SER SER G . n G 3 30 GLY 30 35 35 GLY GLY G . n G 3 31 LEU 31 36 36 LEU LEU G . n G 3 32 ARG 32 37 37 ARG ARG G . n G 3 33 GLY 33 38 38 GLY GLY G . n G 3 34 LEU 34 39 39 LEU LEU G . n G 3 35 PHE 35 40 40 PHE PHE G . n G 3 36 TRP 36 41 41 TRP TRP G . n G 3 37 TYR 37 42 42 TYR TYR G . n G 3 38 ARG 38 43 43 ARG ARG G . n G 3 39 GLN 39 44 44 GLN GLN G . n G 3 40 ASP 40 45 45 ASP ASP G . n G 3 41 PRO 41 46 46 PRO PRO G . n G 3 42 GLY 42 47 47 GLY GLY G . n G 3 43 LYS 43 48 48 LYS LYS G . n G 3 44 GLY 44 49 49 GLY GLY G . n G 3 45 PRO 45 50 50 PRO PRO G . n G 3 46 GLU 46 51 51 GLU GLU G . n G 3 47 PHE 47 52 52 PHE PHE G . n G 3 48 LEU 48 53 53 LEU LEU G . n G 3 49 PHE 49 54 54 PHE PHE G . n G 3 50 THR 50 55 55 THR THR G . n G 3 51 LEU 51 56 56 LEU LEU G . n G 3 52 TYR 52 57 57 TYR TYR G . n G 3 53 SER 53 58 58 SER SER G . n G 3 54 ALA 54 59 59 ALA ALA G . n G 3 55 GLY 55 63 63 GLY GLY G . n G 3 56 GLU 56 64 64 GLU GLU G . n G 3 57 GLU 57 65 65 GLU GLU G . n G 3 58 LYS 58 66 66 LYS LYS G . n G 3 59 GLU 59 67 67 GLU GLU G . n G 3 60 LYS 60 68 68 LYS LYS G . n G 3 61 GLU 61 74 74 GLU GLU G . n G 3 62 ARG 62 75 75 ARG ARG G . n G 3 63 LEU 63 76 76 LEU LEU G . n G 3 64 LYS 64 77 77 LYS LYS G . n G 3 65 ALA 65 78 78 ALA ALA G . n G 3 66 THR 66 79 79 THR THR G . n G 3 67 LEU 67 80 80 LEU LEU G . n G 3 68 THR 68 81 81 THR THR G . n G 3 69 LYS 69 82 82 LYS LYS G . n G 3 70 LYS 70 85 85 LYS LYS G . n G 3 71 GLU 71 86 86 GLU GLU G . n G 3 72 SER 72 87 87 SER SER G . n G 3 73 PHE 73 88 88 PHE PHE G . n G 3 74 LEU 74 89 89 LEU LEU G . n G 3 75 HIS 75 90 90 HIS HIS G . n G 3 76 ILE 76 91 91 ILE ILE G . n G 3 77 THR 77 92 92 THR THR G . n G 3 78 ALA 78 93 93 ALA ALA G . n G 3 79 PRO 79 94 94 PRO PRO G . n G 3 80 LYS 80 95 95 LYS LYS G . n G 3 81 PRO 81 96 96 PRO PRO G . n G 3 82 GLU 82 97 97 GLU GLU G . n G 3 83 ASP 83 98 98 ASP ASP G . n G 3 84 SER 84 99 99 SER SER G . n G 3 85 ALA 85 100 100 ALA ALA G . n G 3 86 THR 86 101 101 THR THR G . n G 3 87 TYR 87 102 102 TYR TYR G . n G 3 88 LEU 88 103 103 LEU LEU G . n G 3 89 CYS 89 104 104 CYS CYS G . n G 3 90 ALA 90 105 105 ALA ALA G . n G 3 91 VAL 91 106 106 VAL VAL G . n G 3 92 ALA 92 107 107 ALA ALA G . n G 3 93 LEU 93 108 108 LEU LEU G . n G 3 94 ASN 94 109 109 ASN ASN G . n G 3 95 ASN 95 110 110 ASN ASN G . n G 3 96 ASN 96 111 111 ASN ASN G . n G 3 97 ALA 97 112 112 ALA ALA G . n G 3 98 GLY 98 113 113 GLY GLY G . n G 3 99 ASN 99 114 114 ASN ASN G . n G 3 100 MET 100 115 115 MET MET G . n G 3 101 LEU 101 116 116 LEU LEU G . n G 3 102 THR 102 117 117 THR THR G . n G 3 103 PHE 103 118 118 PHE PHE G . n G 3 104 GLY 104 119 119 GLY GLY G . n G 3 105 GLY 105 120 120 GLY GLY G . n G 3 106 GLY 106 121 121 GLY GLY G . n G 3 107 THR 107 122 122 THR THR G . n G 3 108 ARG 108 123 123 ARG ARG G . n G 3 109 LEU 109 124 124 LEU LEU G . n G 3 110 MET 110 125 125 MET MET G . n G 3 111 VAL 111 126 126 VAL VAL G . n G 3 112 LYS 112 127 127 LYS LYS G . n G 3 113 PRO 113 128 128 PRO PRO G . n G 3 114 HIS 114 129 129 HIS HIS G . n G 3 115 ILE 115 130 130 ILE ILE G . n G 3 116 GLN 116 131 131 GLN GLN G . n G 3 117 ASN 117 132 132 ASN ASN G . n G 3 118 PRO 118 133 133 PRO PRO G . n G 3 119 ASP 119 134 134 ASP ASP G . n G 3 120 PRO 120 135 135 PRO PRO G . n G 3 121 ALA 121 136 136 ALA ALA G . n G 3 122 VAL 122 137 137 VAL VAL G . n G 3 123 TYR 123 138 138 TYR TYR G . n G 3 124 GLN 124 139 139 GLN GLN G . n G 3 125 LEU 125 140 140 LEU LEU G . n G 3 126 ARG 126 141 141 ARG ARG G . n G 3 127 ASP 127 142 142 ASP ASP G . n G 3 128 SER 128 143 143 SER SER G . n G 3 129 LYS 129 144 144 LYS LYS G . n G 3 130 SER 130 145 145 SER SER G . n G 3 131 SER 131 146 146 SER SER G . n G 3 132 ASP 132 147 147 ASP ASP G . n G 3 133 LYS 133 148 148 LYS LYS G . n G 3 134 SER 134 149 149 SER SER G . n G 3 135 VAL 135 150 150 VAL VAL G . n G 3 136 CYS 136 151 151 CYS CYS G . n G 3 137 LEU 137 152 152 LEU LEU G . n G 3 138 PHE 138 153 153 PHE PHE G . n G 3 139 THR 139 154 154 THR THR G . n G 3 140 ASP 140 155 155 ASP ASP G . n G 3 141 PHE 141 156 156 PHE PHE G . n G 3 142 ASP 142 157 157 ASP ASP G . n G 3 143 SER 143 158 158 SER SER G . n G 3 144 GLN 144 159 159 GLN GLN G . n G 3 145 THR 145 160 160 THR THR G . n G 3 146 ASN 146 161 161 ASN ASN G . n G 3 147 VAL 147 162 162 VAL VAL G . n G 3 148 SER 148 163 163 SER SER G . n G 3 149 GLN 149 164 164 GLN GLN G . n G 3 150 SER 150 165 165 SER SER G . n G 3 151 LYS 151 166 166 LYS LYS G . n G 3 152 ASP 152 167 167 ASP ASP G . n G 3 153 SER 153 168 168 SER SER G . n G 3 154 ASP 154 169 169 ASP ASP G . n G 3 155 VAL 155 170 170 VAL VAL G . n G 3 156 TYR 156 171 171 TYR TYR G . n G 3 157 ILE 157 172 172 ILE ILE G . n G 3 158 THR 158 173 173 THR THR G . n G 3 159 ASP 159 174 174 ASP ASP G . n G 3 160 LYS 160 175 175 LYS LYS G . n G 3 161 CYS 161 176 176 CYS CYS G . n G 3 162 VAL 162 177 177 VAL VAL G . n G 3 163 LEU 163 178 178 LEU LEU G . n G 3 164 ASP 164 179 179 ASP ASP G . n G 3 165 MET 165 180 180 MET MET G . n G 3 166 ARG 166 181 181 ARG ARG G . n G 3 167 SER 167 182 182 SER SER G . n G 3 168 MET 168 183 183 MET MET G . n G 3 169 ASP 169 184 184 ASP ASP G . n G 3 170 PHE 170 185 185 PHE PHE G . n G 3 171 LYS 171 186 186 LYS LYS G . n G 3 172 SER 172 187 187 SER SER G . n G 3 173 ASN 173 188 188 ASN ASN G . n G 3 174 SER 174 189 189 SER SER G . n G 3 175 ALA 175 190 190 ALA ALA G . n G 3 176 VAL 176 191 191 VAL VAL G . n G 3 177 ALA 177 192 192 ALA ALA G . n G 3 178 TRP 178 193 193 TRP TRP G . n G 3 179 SER 179 194 194 SER SER G . n G 3 180 ASN 180 195 195 ASN ASN G . n G 3 181 LYS 181 196 196 LYS LYS G . n G 3 182 SER 182 197 197 SER SER G . n G 3 183 ASP 183 198 198 ASP ASP G . n G 3 184 PHE 184 199 199 PHE PHE G . n G 3 185 ALA 185 200 200 ALA ALA G . n G 3 186 CYS 186 201 201 CYS CYS G . n G 3 187 ALA 187 202 202 ALA ALA G . n G 3 188 ASN 188 203 203 ASN ASN G . n G 3 189 ALA 189 204 204 ALA ALA G . n G 3 190 PHE 190 205 205 PHE PHE G . n G 3 191 ASN 191 206 206 ASN ASN G . n G 3 192 ASN 192 207 207 ASN ASN G . n G 3 193 SER 193 208 208 SER SER G . n G 3 194 ILE 194 209 209 ILE ILE G . n G 3 195 ILE 195 210 210 ILE ILE G . n G 3 196 PRO 196 211 ? ? ? G . n G 3 197 GLU 197 212 ? ? ? G . n G 3 198 ASP 198 213 ? ? ? G . n G 3 199 THR 199 214 ? ? ? G . n G 3 200 PHE 200 215 ? ? ? G . n G 3 201 PHE 201 216 ? ? ? G . n G 3 202 PRO 202 217 ? ? ? G . n G 3 203 SER 203 218 ? ? ? G . n G 3 204 PRO 204 219 ? ? ? G . n G 3 205 GLU 205 220 ? ? ? G . n G 3 206 SER 206 221 ? ? ? G . n G 3 207 SER 207 222 ? ? ? G . n H 4 1 MET 1 2 ? ? ? H . n H 4 2 GLY 2 3 3 GLY GLY H . n H 4 3 VAL 3 4 4 VAL VAL H . n H 4 4 THR 4 5 5 THR THR H . n H 4 5 GLN 5 6 6 GLN GLN H . n H 4 6 THR 6 7 7 THR THR H . n H 4 7 PRO 7 8 8 PRO PRO H . n H 4 8 LYS 8 9 9 LYS LYS H . n H 4 9 HIS 9 10 10 HIS HIS H . n H 4 10 LEU 10 11 11 LEU LEU H . n H 4 11 ILE 11 12 12 ILE ILE H . n H 4 12 THR 12 13 13 THR THR H . n H 4 13 ALA 13 14 14 ALA ALA H . n H 4 14 THR 14 15 15 THR THR H . n H 4 15 GLY 15 16 16 GLY GLY H . n H 4 16 GLN 16 17 17 GLN GLN H . n H 4 17 ARG 17 18 18 ARG ARG H . n H 4 18 VAL 18 19 19 VAL VAL H . n H 4 19 THR 19 20 20 THR THR H . n H 4 20 LEU 20 21 21 LEU LEU H . n H 4 21 ARG 21 22 22 ARG ARG H . n H 4 22 CYS 22 23 23 CYS CYS H . n H 4 23 SER 23 24 24 SER SER H . n H 4 24 PRO 24 25 25 PRO PRO H . n H 4 25 ARG 25 26 26 ARG ARG H . n H 4 26 SER 26 27 27 SER SER H . n H 4 27 GLY 27 28 28 GLY GLY H . n H 4 28 ASP 28 29 29 ASP ASP H . n H 4 29 LEU 29 37 37 LEU LEU H . n H 4 30 SER 30 38 38 SER SER H . n H 4 31 VAL 31 39 39 VAL VAL H . n H 4 32 TYR 32 40 40 TYR TYR H . n H 4 33 TRP 33 41 41 TRP TRP H . n H 4 34 TYR 34 42 42 TYR TYR H . n H 4 35 GLN 35 43 43 GLN GLN H . n H 4 36 GLN 36 44 44 GLN GLN H . n H 4 37 SER 37 45 45 SER SER H . n H 4 38 LEU 38 46 46 LEU LEU H . n H 4 39 ASP 39 47 47 ASP ASP H . n H 4 40 GLN 40 48 48 GLN GLN H . n H 4 41 GLY 41 49 49 GLY GLY H . n H 4 42 LEU 42 50 50 LEU LEU H . n H 4 43 GLN 43 51 51 GLN GLN H . n H 4 44 PHE 44 52 52 PHE PHE H . n H 4 45 LEU 45 53 53 LEU LEU H . n H 4 46 ILE 46 54 54 ILE ILE H . n H 4 47 GLN 47 55 55 GLN GLN H . n H 4 48 TYR 48 56 56 TYR TYR H . n H 4 49 TYR 49 57 57 TYR TYR H . n H 4 50 ASN 50 58 58 ASN ASN H . n H 4 51 GLY 51 63 63 GLY GLY H . n H 4 52 GLU 52 64 64 GLU GLU H . n H 4 53 GLU 53 65 65 GLU GLU H . n H 4 54 ARG 54 66 66 ARG ARG H . n H 4 55 ALA 55 67 67 ALA ALA H . n H 4 56 LYS 56 68 68 LYS LYS H . n H 4 57 GLY 57 69 69 GLY GLY H . n H 4 58 ASN 58 70 70 ASN ASN H . n H 4 59 ILE 59 71 71 ILE ILE H . n H 4 60 LEU 60 72 72 LEU LEU H . n H 4 61 GLU 61 74 74 GLU GLU H . n H 4 62 ARG 62 75 75 ARG ARG H . n H 4 63 PHE 63 76 76 PHE PHE H . n H 4 64 SER 64 77 77 SER SER H . n H 4 65 ALA 65 78 78 ALA ALA H . n H 4 66 GLN 66 79 79 GLN GLN H . n H 4 67 GLN 67 80 80 GLN GLN H . n H 4 68 PHE 68 81 81 PHE PHE H . n H 4 69 PRO 69 83 83 PRO PRO H . n H 4 70 ASP 70 84 84 ASP ASP H . n H 4 71 LEU 71 85 85 LEU LEU H . n H 4 72 HIS 72 86 86 HIS HIS H . n H 4 73 SER 73 87 87 SER SER H . n H 4 74 GLU 74 88 88 GLU GLU H . n H 4 75 LEU 75 89 89 LEU LEU H . n H 4 76 ASN 76 90 90 ASN ASN H . n H 4 77 LEU 77 91 91 LEU LEU H . n H 4 78 SER 78 92 92 SER SER H . n H 4 79 SER 79 93 93 SER SER H . n H 4 80 LEU 80 94 94 LEU LEU H . n H 4 81 GLU 81 95 95 GLU GLU H . n H 4 82 LEU 82 96 96 LEU LEU H . n H 4 83 GLY 83 97 97 GLY GLY H . n H 4 84 ASP 84 98 98 ASP ASP H . n H 4 85 SER 85 99 99 SER SER H . n H 4 86 ALA 86 100 100 ALA ALA H . n H 4 87 LEU 87 101 101 LEU LEU H . n H 4 88 TYR 88 102 102 TYR TYR H . n H 4 89 PHE 89 103 103 PHE PHE H . n H 4 90 CYS 90 104 104 CYS CYS H . n H 4 91 ALA 91 105 105 ALA ALA H . n H 4 92 SER 92 106 106 SER SER H . n H 4 93 SER 93 107 107 SER SER H . n H 4 94 VAL 94 108 108 VAL VAL H . n H 4 95 ALA 95 109 109 ALA ALA H . n H 4 96 PRO 96 110 110 PRO PRO H . n H 4 97 GLY 97 111 111 GLY GLY H . n H 4 98 SER 98 113 113 SER SER H . n H 4 99 ASP 99 114 114 ASP ASP H . n H 4 100 THR 100 115 115 THR THR H . n H 4 101 GLN 101 116 116 GLN GLN H . n H 4 102 TYR 102 117 117 TYR TYR H . n H 4 103 PHE 103 118 118 PHE PHE H . n H 4 104 GLY 104 119 119 GLY GLY H . n H 4 105 PRO 105 120 120 PRO PRO H . n H 4 106 GLY 106 121 121 GLY GLY H . n H 4 107 THR 107 122 122 THR THR H . n H 4 108 ARG 108 123 123 ARG ARG H . n H 4 109 LEU 109 124 124 LEU LEU H . n H 4 110 THR 110 125 125 THR THR H . n H 4 111 VAL 111 126 126 VAL VAL H . n H 4 112 LEU 112 127 127 LEU LEU H . n H 4 113 GLU 113 128 128 GLU GLU H . n H 4 114 ASP 114 129 129 ASP ASP H . n H 4 115 LEU 115 130 130 LEU LEU H . n H 4 116 LYS 116 131 131 LYS LYS H . n H 4 117 ASN 117 132 132 ASN ASN H . n H 4 118 VAL 118 133 133 VAL VAL H . n H 4 119 PHE 119 134 134 PHE PHE H . n H 4 120 PRO 120 135 135 PRO PRO H . n H 4 121 PRO 121 136 136 PRO PRO H . n H 4 122 GLU 122 137 137 GLU GLU H . n H 4 123 VAL 123 138 138 VAL VAL H . n H 4 124 ALA 124 139 139 ALA ALA H . n H 4 125 VAL 125 140 140 VAL VAL H . n H 4 126 PHE 126 141 141 PHE PHE H . n H 4 127 GLU 127 142 142 GLU GLU H . n H 4 128 PRO 128 143 143 PRO PRO H . n H 4 129 SER 129 144 144 SER SER H . n H 4 130 GLU 130 145 145 GLU GLU H . n H 4 131 ALA 131 146 146 ALA ALA H . n H 4 132 GLU 132 147 147 GLU GLU H . n H 4 133 ILE 133 148 148 ILE ILE H . n H 4 134 SER 134 149 149 SER SER H . n H 4 135 HIS 135 150 150 HIS HIS H . n H 4 136 THR 136 151 151 THR THR H . n H 4 137 GLN 137 152 152 GLN GLN H . n H 4 138 LYS 138 153 153 LYS LYS H . n H 4 139 ALA 139 154 154 ALA ALA H . n H 4 140 THR 140 155 155 THR THR H . n H 4 141 LEU 141 156 156 LEU LEU H . n H 4 142 VAL 142 157 157 VAL VAL H . n H 4 143 CYS 143 158 158 CYS CYS H . n H 4 144 LEU 144 159 159 LEU LEU H . n H 4 145 ALA 145 160 160 ALA ALA H . n H 4 146 THR 146 161 161 THR THR H . n H 4 147 GLY 147 162 162 GLY GLY H . n H 4 148 PHE 148 163 163 PHE PHE H . n H 4 149 PHE 149 164 164 PHE PHE H . n H 4 150 PRO 150 165 165 PRO PRO H . n H 4 151 ASP 151 166 166 ASP ASP H . n H 4 152 HIS 152 167 167 HIS HIS H . n H 4 153 VAL 153 168 168 VAL VAL H . n H 4 154 GLU 154 169 169 GLU GLU H . n H 4 155 LEU 155 170 170 LEU LEU H . n H 4 156 SER 156 171 171 SER SER H . n H 4 157 TRP 157 172 172 TRP TRP H . n H 4 158 TRP 158 173 173 TRP TRP H . n H 4 159 VAL 159 174 174 VAL VAL H . n H 4 160 ASN 160 175 175 ASN ASN H . n H 4 161 GLY 161 176 176 GLY GLY H . n H 4 162 LYS 162 177 177 LYS LYS H . n H 4 163 GLU 163 178 178 GLU GLU H . n H 4 164 VAL 164 179 179 VAL VAL H . n H 4 165 HIS 165 180 180 HIS HIS H . n H 4 166 SER 166 181 181 SER SER H . n H 4 167 GLY 167 182 182 GLY GLY H . n H 4 168 VAL 168 183 183 VAL VAL H . n H 4 169 CYS 169 184 184 CYS CYS H . n H 4 170 THR 170 185 185 THR THR H . n H 4 171 ASP 171 186 186 ASP ASP H . n H 4 172 PRO 172 187 187 PRO PRO H . n H 4 173 GLN 173 188 188 GLN GLN H . n H 4 174 PRO 174 189 189 PRO PRO H . n H 4 175 LEU 175 190 190 LEU LEU H . n H 4 176 LYS 176 191 191 LYS LYS H . n H 4 177 GLU 177 192 192 GLU GLU H . n H 4 178 GLN 178 193 193 GLN GLN H . n H 4 179 PRO 179 194 194 PRO PRO H . n H 4 180 ALA 180 195 195 ALA ALA H . n H 4 181 LEU 181 196 196 LEU LEU H . n H 4 182 ASN 182 197 197 ASN ASN H . n H 4 183 ASP 183 198 198 ASP ASP H . n H 4 184 SER 184 199 199 SER SER H . n H 4 185 ARG 185 200 200 ARG ARG H . n H 4 186 TYR 186 201 201 TYR TYR H . n H 4 187 ALA 187 202 202 ALA ALA H . n H 4 188 LEU 188 203 203 LEU LEU H . n H 4 189 SER 189 204 204 SER SER H . n H 4 190 SER 190 205 205 SER SER H . n H 4 191 ARG 191 206 206 ARG ARG H . n H 4 192 LEU 192 207 207 LEU LEU H . n H 4 193 ARG 193 208 208 ARG ARG H . n H 4 194 VAL 194 209 209 VAL VAL H . n H 4 195 SER 195 210 210 SER SER H . n H 4 196 ALA 196 211 211 ALA ALA H . n H 4 197 THR 197 212 212 THR THR H . n H 4 198 PHE 198 213 213 PHE PHE H . n H 4 199 TRP 199 214 214 TRP TRP H . n H 4 200 GLN 200 215 215 GLN GLN H . n H 4 201 ASN 201 216 216 ASN ASN H . n H 4 202 PRO 202 217 217 PRO PRO H . n H 4 203 ARG 203 218 218 ARG ARG H . n H 4 204 ASN 204 219 219 ASN ASN H . n H 4 205 HIS 205 220 220 HIS HIS H . n H 4 206 PHE 206 221 221 PHE PHE H . n H 4 207 ARG 207 222 222 ARG ARG H . n H 4 208 CYS 208 223 223 CYS CYS H . n H 4 209 GLN 209 224 224 GLN GLN H . n H 4 210 VAL 210 225 225 VAL VAL H . n H 4 211 GLN 211 226 226 GLN GLN H . n H 4 212 PHE 212 227 227 PHE PHE H . n H 4 213 TYR 213 228 228 TYR TYR H . n H 4 214 GLY 214 229 229 GLY GLY H . n H 4 215 LEU 215 230 230 LEU LEU H . n H 4 216 SER 216 231 231 SER SER H . n H 4 217 GLU 217 232 232 GLU GLU H . n H 4 218 ASN 218 233 233 ASN ASN H . n H 4 219 ASP 219 234 234 ASP ASP H . n H 4 220 GLU 220 235 235 GLU GLU H . n H 4 221 TRP 221 236 236 TRP TRP H . n H 4 222 THR 222 237 237 THR THR H . n H 4 223 GLN 223 238 238 GLN GLN H . n H 4 224 ASP 224 239 239 ASP ASP H . n H 4 225 ARG 225 240 240 ARG ARG H . n H 4 226 ALA 226 241 241 ALA ALA H . n H 4 227 LYS 227 242 242 LYS LYS H . n H 4 228 PRO 228 243 243 PRO PRO H . n H 4 229 VAL 229 244 244 VAL VAL H . n H 4 230 THR 230 245 245 THR THR H . n H 4 231 GLN 231 246 246 GLN GLN H . n H 4 232 ILE 232 247 247 ILE ILE H . n H 4 233 VAL 233 248 248 VAL VAL H . n H 4 234 SER 234 249 249 SER SER H . n H 4 235 ALA 235 250 250 ALA ALA H . n H 4 236 GLU 236 251 251 GLU GLU H . n H 4 237 ALA 237 252 252 ALA ALA H . n H 4 238 TRP 238 253 253 TRP TRP H . n H 4 239 GLY 239 254 254 GLY GLY H . n H 4 240 ARG 240 255 255 ARG ARG H . n H 4 241 ALA 241 256 256 ALA ALA H . n H 4 242 ASP 242 257 ? ? ? H . n I 5 1 ALA 1 -4 -4 ALA ALA I . n I 5 2 PRO 2 -3 -3 PRO PRO I . n I 5 3 SER 3 -2 -2 SER SER I . n I 5 4 GLY 4 -1 -1 GLY GLY I . n I 5 5 GLU 5 1 1 GLU GLU I . n I 5 6 GLY 6 2 2 GLY GLY I . n I 5 7 SER 7 3 3 SER SER I . n I 5 8 PHE 8 4 4 PHE PHE I . n I 5 9 GLN 9 5 5 GLN GLN I . n I 5 10 PRO 10 6 6 PRO PRO I . n I 5 11 SER 11 7 7 SER SER I . n I 5 12 GLN 12 8 8 GLN GLN I . n I 5 13 GLU 13 9 9 GLU GLU I . n I 5 14 ASN 14 10 10 ASN ASN I . n I 5 15 PRO 15 11 11 PRO PRO I . n I 5 16 GLN 16 12 12 GLN GLN I . n J 5 1 ALA 1 -4 -4 ALA ALA J . n J 5 2 PRO 2 -3 -3 PRO PRO J . n J 5 3 SER 3 -2 -2 SER SER J . n J 5 4 GLY 4 -1 -1 GLY GLY J . n J 5 5 GLU 5 1 1 GLU GLU J . n J 5 6 GLY 6 2 2 GLY GLY J . n J 5 7 SER 7 3 3 SER SER J . n J 5 8 PHE 8 4 4 PHE PHE J . n J 5 9 GLN 9 5 5 GLN GLN J . n J 5 10 PRO 10 6 6 PRO PRO J . n J 5 11 SER 11 7 7 SER SER J . n J 5 12 GLN 12 8 8 GLN GLN J . n J 5 13 GLU 13 9 9 GLU GLU J . n J 5 14 ASN 14 10 10 ASN ASN J . n J 5 15 PRO 15 11 11 PRO PRO J . n J 5 16 GLN 16 12 12 GLN GLN J . 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 K 6 NAG 1 301 1000 NAG NAG A . L 7 CA 1 302 3 CA CA A . M 6 NAG 1 1000 1000 NAG NAG B . N 6 NAG 1 301 1000 NAG NAG C . O 7 CA 1 302 2 CA CA C . P 6 NAG 1 1000 1000 NAG NAG D . Q 7 CA 1 301 1 CA CA E . R 7 CA 1 301 4 CA CA G . S 8 HOH 1 401 521 HOH HOH A . S 8 HOH 2 402 133 HOH HOH A . S 8 HOH 3 403 11 HOH HOH A . S 8 HOH 4 404 172 HOH HOH A . S 8 HOH 5 405 198 HOH HOH A . S 8 HOH 6 406 253 HOH HOH A . S 8 HOH 7 407 236 HOH HOH A . S 8 HOH 8 408 346 HOH HOH A . S 8 HOH 9 409 35 HOH HOH A . S 8 HOH 10 410 63 HOH HOH A . S 8 HOH 11 411 240 HOH HOH A . S 8 HOH 12 412 482 HOH HOH A . S 8 HOH 13 413 394 HOH HOH A . S 8 HOH 14 414 31 HOH HOH A . S 8 HOH 15 415 115 HOH HOH A . S 8 HOH 16 416 549 HOH HOH A . S 8 HOH 17 417 259 HOH HOH A . S 8 HOH 18 418 503 HOH HOH A . S 8 HOH 19 419 91 HOH HOH A . S 8 HOH 20 420 230 HOH HOH A . S 8 HOH 21 421 99 HOH HOH A . S 8 HOH 22 422 14 HOH HOH A . S 8 HOH 23 423 552 HOH HOH A . S 8 HOH 24 424 246 HOH HOH A . S 8 HOH 25 425 287 HOH HOH A . S 8 HOH 26 426 242 HOH HOH A . S 8 HOH 27 427 56 HOH HOH A . S 8 HOH 28 428 98 HOH HOH A . S 8 HOH 29 429 593 HOH HOH A . S 8 HOH 30 430 110 HOH HOH A . S 8 HOH 31 431 193 HOH HOH A . S 8 HOH 32 432 88 HOH HOH A . S 8 HOH 33 433 297 HOH HOH A . S 8 HOH 34 434 232 HOH HOH A . S 8 HOH 35 435 197 HOH HOH A . S 8 HOH 36 436 308 HOH HOH A . S 8 HOH 37 437 550 HOH HOH A . S 8 HOH 38 438 89 HOH HOH A . S 8 HOH 39 439 501 HOH HOH A . S 8 HOH 40 440 376 HOH HOH A . S 8 HOH 41 441 28 HOH HOH A . S 8 HOH 42 442 80 HOH HOH A . S 8 HOH 43 443 321 HOH HOH A . S 8 HOH 44 444 86 HOH HOH A . S 8 HOH 45 445 41 HOH HOH A . S 8 HOH 46 446 125 HOH HOH A . S 8 HOH 47 447 171 HOH HOH A . S 8 HOH 48 448 170 HOH HOH A . S 8 HOH 49 449 124 HOH HOH A . S 8 HOH 50 450 356 HOH HOH A . S 8 HOH 51 451 96 HOH HOH A . S 8 HOH 52 452 68 HOH HOH A . S 8 HOH 53 453 281 HOH HOH A . S 8 HOH 54 454 395 HOH HOH A . S 8 HOH 55 455 313 HOH HOH A . S 8 HOH 56 456 546 HOH HOH A . S 8 HOH 57 457 91 HOH HOH A . S 8 HOH 58 458 315 HOH HOH A . S 8 HOH 59 459 52 HOH HOH A . S 8 HOH 60 460 201 HOH HOH A . S 8 HOH 61 461 150 HOH HOH A . S 8 HOH 62 462 203 HOH HOH A . S 8 HOH 63 463 32 HOH HOH A . S 8 HOH 64 464 155 HOH HOH A . S 8 HOH 65 465 252 HOH HOH A . S 8 HOH 66 466 178 HOH HOH A . S 8 HOH 67 467 141 HOH HOH A . S 8 HOH 68 468 51 HOH HOH A . S 8 HOH 69 469 14 HOH HOH A . S 8 HOH 70 470 269 HOH HOH A . S 8 HOH 71 471 252 HOH HOH A . S 8 HOH 72 472 34 HOH HOH A . S 8 HOH 73 473 251 HOH HOH A . S 8 HOH 74 474 280 HOH HOH A . S 8 HOH 75 475 251 HOH HOH A . S 8 HOH 76 476 221 HOH HOH A . S 8 HOH 77 477 177 HOH HOH A . S 8 HOH 78 478 390 HOH HOH A . S 8 HOH 79 479 108 HOH HOH A . T 8 HOH 1 1101 457 HOH HOH B . T 8 HOH 2 1102 460 HOH HOH B . T 8 HOH 3 1103 273 HOH HOH B . T 8 HOH 4 1104 83 HOH HOH B . T 8 HOH 5 1105 306 HOH HOH B . T 8 HOH 6 1106 590 HOH HOH B . T 8 HOH 7 1107 90 HOH HOH B . T 8 HOH 8 1108 249 HOH HOH B . T 8 HOH 9 1109 567 HOH HOH B . T 8 HOH 10 1110 334 HOH HOH B . T 8 HOH 11 1111 289 HOH HOH B . T 8 HOH 12 1112 6 HOH HOH B . T 8 HOH 13 1113 378 HOH HOH B . T 8 HOH 14 1114 294 HOH HOH B . T 8 HOH 15 1115 535 HOH HOH B . T 8 HOH 16 1116 77 HOH HOH B . T 8 HOH 17 1117 57 HOH HOH B . T 8 HOH 18 1118 66 HOH HOH B . T 8 HOH 19 1119 81 HOH HOH B . T 8 HOH 20 1120 70 HOH HOH B . T 8 HOH 21 1121 278 HOH HOH B . T 8 HOH 22 1122 541 HOH HOH B . T 8 HOH 23 1123 176 HOH HOH B . T 8 HOH 24 1124 209 HOH HOH B . T 8 HOH 25 1125 219 HOH HOH B . T 8 HOH 26 1126 456 HOH HOH B . T 8 HOH 27 1127 106 HOH HOH B . T 8 HOH 28 1128 284 HOH HOH B . T 8 HOH 29 1129 547 HOH HOH B . T 8 HOH 30 1130 100 HOH HOH B . T 8 HOH 31 1131 589 HOH HOH B . T 8 HOH 32 1132 225 HOH HOH B . T 8 HOH 33 1133 250 HOH HOH B . T 8 HOH 34 1134 449 HOH HOH B . T 8 HOH 35 1135 143 HOH HOH B . T 8 HOH 36 1136 102 HOH HOH B . T 8 HOH 37 1137 197 HOH HOH B . T 8 HOH 38 1138 44 HOH HOH B . T 8 HOH 39 1139 26 HOH HOH B . T 8 HOH 40 1140 15 HOH HOH B . T 8 HOH 41 1141 80 HOH HOH B . T 8 HOH 42 1142 207 HOH HOH B . T 8 HOH 43 1143 19 HOH HOH B . T 8 HOH 44 1144 429 HOH HOH B . T 8 HOH 45 1145 192 HOH HOH B . T 8 HOH 46 1146 45 HOH HOH B . T 8 HOH 47 1147 195 HOH HOH B . T 8 HOH 48 1148 57 HOH HOH B . T 8 HOH 49 1149 156 HOH HOH B . T 8 HOH 50 1150 548 HOH HOH B . T 8 HOH 51 1151 317 HOH HOH B . T 8 HOH 52 1152 162 HOH HOH B . T 8 HOH 53 1153 164 HOH HOH B . T 8 HOH 54 1154 551 HOH HOH B . T 8 HOH 55 1155 305 HOH HOH B . T 8 HOH 56 1156 59 HOH HOH B . T 8 HOH 57 1157 123 HOH HOH B . T 8 HOH 58 1158 452 HOH HOH B . T 8 HOH 59 1159 216 HOH HOH B . T 8 HOH 60 1160 420 HOH HOH B . U 8 HOH 1 401 2 HOH HOH C . U 8 HOH 2 402 128 HOH HOH C . U 8 HOH 3 403 462 HOH HOH C . U 8 HOH 4 404 560 HOH HOH C . U 8 HOH 5 405 337 HOH HOH C . U 8 HOH 6 406 33 HOH HOH C . U 8 HOH 7 407 333 HOH HOH C . U 8 HOH 8 408 479 HOH HOH C . U 8 HOH 9 409 15 HOH HOH C . U 8 HOH 10 410 48 HOH HOH C . U 8 HOH 11 411 244 HOH HOH C . U 8 HOH 12 412 510 HOH HOH C . U 8 HOH 13 413 183 HOH HOH C . U 8 HOH 14 414 145 HOH HOH C . U 8 HOH 15 415 247 HOH HOH C . U 8 HOH 16 416 26 HOH HOH C . U 8 HOH 17 417 115 HOH HOH C . U 8 HOH 18 418 136 HOH HOH C . U 8 HOH 19 419 366 HOH HOH C . U 8 HOH 20 420 406 HOH HOH C . U 8 HOH 21 421 491 HOH HOH C . U 8 HOH 22 422 114 HOH HOH C . U 8 HOH 23 423 147 HOH HOH C . U 8 HOH 24 424 17 HOH HOH C . U 8 HOH 25 425 23 HOH HOH C . U 8 HOH 26 426 110 HOH HOH C . U 8 HOH 27 427 490 HOH HOH C . U 8 HOH 28 428 200 HOH HOH C . U 8 HOH 29 429 25 HOH HOH C . U 8 HOH 30 430 557 HOH HOH C . U 8 HOH 31 431 297 HOH HOH C . U 8 HOH 32 432 45 HOH HOH C . U 8 HOH 33 433 389 HOH HOH C . U 8 HOH 34 434 522 HOH HOH C . U 8 HOH 35 435 222 HOH HOH C . U 8 HOH 36 436 486 HOH HOH C . U 8 HOH 37 437 160 HOH HOH C . U 8 HOH 38 438 512 HOH HOH C . U 8 HOH 39 439 79 HOH HOH C . U 8 HOH 40 440 185 HOH HOH C . U 8 HOH 41 441 140 HOH HOH C . U 8 HOH 42 442 492 HOH HOH C . U 8 HOH 43 443 220 HOH HOH C . U 8 HOH 44 444 164 HOH HOH C . U 8 HOH 45 445 30 HOH HOH C . U 8 HOH 46 446 38 HOH HOH C . U 8 HOH 47 447 209 HOH HOH C . U 8 HOH 48 448 62 HOH HOH C . U 8 HOH 49 449 485 HOH HOH C . U 8 HOH 50 450 487 HOH HOH C . U 8 HOH 51 451 121 HOH HOH C . U 8 HOH 52 452 517 HOH HOH C . U 8 HOH 53 453 205 HOH HOH C . U 8 HOH 54 454 9 HOH HOH C . U 8 HOH 55 455 75 HOH HOH C . U 8 HOH 56 456 238 HOH HOH C . U 8 HOH 57 457 463 HOH HOH C . U 8 HOH 58 458 232 HOH HOH C . U 8 HOH 59 459 1 HOH HOH C . U 8 HOH 60 460 208 HOH HOH C . U 8 HOH 61 461 96 HOH HOH C . U 8 HOH 62 462 285 HOH HOH C . U 8 HOH 63 463 129 HOH HOH C . U 8 HOH 64 464 478 HOH HOH C . U 8 HOH 65 465 40 HOH HOH C . U 8 HOH 66 466 147 HOH HOH C . U 8 HOH 67 467 286 HOH HOH C . U 8 HOH 68 468 539 HOH HOH C . U 8 HOH 69 469 351 HOH HOH C . U 8 HOH 70 470 261 HOH HOH C . U 8 HOH 71 471 98 HOH HOH C . U 8 HOH 72 472 158 HOH HOH C . U 8 HOH 73 473 375 HOH HOH C . U 8 HOH 74 474 173 HOH HOH C . U 8 HOH 75 475 46 HOH HOH C . U 8 HOH 76 476 328 HOH HOH C . U 8 HOH 77 477 477 HOH HOH C . U 8 HOH 78 478 365 HOH HOH C . U 8 HOH 79 479 387 HOH HOH C . U 8 HOH 80 480 466 HOH HOH C . U 8 HOH 81 481 520 HOH HOH C . U 8 HOH 82 482 320 HOH HOH C . U 8 HOH 83 483 137 HOH HOH C . U 8 HOH 84 484 411 HOH HOH C . U 8 HOH 85 485 235 HOH HOH C . U 8 HOH 86 486 325 HOH HOH C . U 8 HOH 87 487 277 HOH HOH C . U 8 HOH 88 488 87 HOH HOH C . U 8 HOH 89 489 212 HOH HOH C . U 8 HOH 90 490 179 HOH HOH C . U 8 HOH 91 491 233 HOH HOH C . U 8 HOH 92 492 276 HOH HOH C . U 8 HOH 93 493 296 HOH HOH C . U 8 HOH 94 494 562 HOH HOH C . U 8 HOH 95 495 493 HOH HOH C . U 8 HOH 96 496 177 HOH HOH C . U 8 HOH 97 497 488 HOH HOH C . U 8 HOH 98 498 561 HOH HOH C . U 8 HOH 99 499 175 HOH HOH C . U 8 HOH 100 500 73 HOH HOH C . U 8 HOH 101 501 188 HOH HOH C . U 8 HOH 102 502 241 HOH HOH C . U 8 HOH 103 503 301 HOH HOH C . U 8 HOH 104 504 303 HOH HOH C . U 8 HOH 105 505 300 HOH HOH C . V 8 HOH 1 1101 46 HOH HOH D . V 8 HOH 2 1102 464 HOH HOH D . V 8 HOH 3 1103 564 HOH HOH D . V 8 HOH 4 1104 52 HOH HOH D . V 8 HOH 5 1105 558 HOH HOH D . V 8 HOH 6 1106 42 HOH HOH D . V 8 HOH 7 1107 1 HOH HOH D . V 8 HOH 8 1108 4 HOH HOH D . V 8 HOH 9 1109 202 HOH HOH D . V 8 HOH 10 1110 187 HOH HOH D . V 8 HOH 11 1111 146 HOH HOH D . V 8 HOH 12 1112 51 HOH HOH D . V 8 HOH 13 1113 179 HOH HOH D . V 8 HOH 14 1114 161 HOH HOH D . V 8 HOH 15 1115 116 HOH HOH D . V 8 HOH 16 1116 138 HOH HOH D . V 8 HOH 17 1117 141 HOH HOH D . V 8 HOH 18 1118 59 HOH HOH D . V 8 HOH 19 1119 243 HOH HOH D . V 8 HOH 20 1120 24 HOH HOH D . V 8 HOH 21 1121 248 HOH HOH D . V 8 HOH 22 1122 122 HOH HOH D . V 8 HOH 23 1123 538 HOH HOH D . V 8 HOH 24 1124 16 HOH HOH D . V 8 HOH 25 1125 105 HOH HOH D . V 8 HOH 26 1126 260 HOH HOH D . V 8 HOH 27 1127 242 HOH HOH D . V 8 HOH 28 1128 354 HOH HOH D . V 8 HOH 29 1129 142 HOH HOH D . V 8 HOH 30 1130 392 HOH HOH D . V 8 HOH 31 1131 28 HOH HOH D . V 8 HOH 32 1132 302 HOH HOH D . V 8 HOH 33 1133 216 HOH HOH D . V 8 HOH 34 1134 140 HOH HOH D . V 8 HOH 35 1135 54 HOH HOH D . V 8 HOH 36 1136 165 HOH HOH D . V 8 HOH 37 1137 280 HOH HOH D . V 8 HOH 38 1138 359 HOH HOH D . V 8 HOH 39 1139 467 HOH HOH D . V 8 HOH 40 1140 594 HOH HOH D . V 8 HOH 41 1141 144 HOH HOH D . V 8 HOH 42 1142 184 HOH HOH D . V 8 HOH 43 1143 316 HOH HOH D . V 8 HOH 44 1144 18 HOH HOH D . V 8 HOH 45 1145 61 HOH HOH D . V 8 HOH 46 1146 578 HOH HOH D . V 8 HOH 47 1147 303 HOH HOH D . V 8 HOH 48 1148 576 HOH HOH D . V 8 HOH 49 1149 148 HOH HOH D . V 8 HOH 50 1150 315 HOH HOH D . V 8 HOH 51 1151 144 HOH HOH D . V 8 HOH 52 1152 149 HOH HOH D . V 8 HOH 53 1153 308 HOH HOH D . V 8 HOH 54 1154 203 HOH HOH D . V 8 HOH 55 1155 275 HOH HOH D . V 8 HOH 56 1156 49 HOH HOH D . V 8 HOH 57 1157 183 HOH HOH D . V 8 HOH 58 1158 20 HOH HOH D . V 8 HOH 59 1159 151 HOH HOH D . V 8 HOH 60 1160 139 HOH HOH D . V 8 HOH 61 1161 207 HOH HOH D . V 8 HOH 62 1162 228 HOH HOH D . V 8 HOH 63 1163 36 HOH HOH D . V 8 HOH 64 1164 107 HOH HOH D . V 8 HOH 65 1165 56 HOH HOH D . V 8 HOH 66 1166 64 HOH HOH D . V 8 HOH 67 1167 292 HOH HOH D . V 8 HOH 68 1168 311 HOH HOH D . V 8 HOH 69 1169 101 HOH HOH D . V 8 HOH 70 1170 174 HOH HOH D . V 8 HOH 71 1171 9 HOH HOH D . V 8 HOH 72 1172 255 HOH HOH D . V 8 HOH 73 1173 263 HOH HOH D . V 8 HOH 74 1174 274 HOH HOH D . V 8 HOH 75 1175 519 HOH HOH D . V 8 HOH 76 1176 559 HOH HOH D . V 8 HOH 77 1177 130 HOH HOH D . V 8 HOH 78 1178 553 HOH HOH D . V 8 HOH 79 1179 425 HOH HOH D . V 8 HOH 80 1180 577 HOH HOH D . V 8 HOH 81 1181 291 HOH HOH D . V 8 HOH 82 1182 402 HOH HOH D . V 8 HOH 83 1183 81 HOH HOH D . V 8 HOH 84 1184 211 HOH HOH D . V 8 HOH 85 1185 367 HOH HOH D . V 8 HOH 86 1186 3 HOH HOH D . V 8 HOH 87 1187 239 HOH HOH D . V 8 HOH 88 1188 29 HOH HOH D . V 8 HOH 89 1189 118 HOH HOH D . V 8 HOH 90 1190 246 HOH HOH D . W 8 HOH 1 401 484 HOH HOH E . W 8 HOH 2 402 85 HOH HOH E . W 8 HOH 3 403 528 HOH HOH E . W 8 HOH 4 404 332 HOH HOH E . W 8 HOH 5 405 27 HOH HOH E . W 8 HOH 6 406 83 HOH HOH E . W 8 HOH 7 407 71 HOH HOH E . W 8 HOH 8 408 194 HOH HOH E . W 8 HOH 9 409 228 HOH HOH E . W 8 HOH 10 410 92 HOH HOH E . W 8 HOH 11 411 43 HOH HOH E . W 8 HOH 12 412 258 HOH HOH E . W 8 HOH 13 413 573 HOH HOH E . W 8 HOH 14 414 496 HOH HOH E . W 8 HOH 15 415 12 HOH HOH E . W 8 HOH 16 416 584 HOH HOH E . W 8 HOH 17 417 465 HOH HOH E . W 8 HOH 18 418 525 HOH HOH E . W 8 HOH 19 419 210 HOH HOH E . W 8 HOH 20 420 19 HOH HOH E . W 8 HOH 21 421 152 HOH HOH E . W 8 HOH 22 422 583 HOH HOH E . W 8 HOH 23 423 34 HOH HOH E . W 8 HOH 24 424 483 HOH HOH E . W 8 HOH 25 425 159 HOH HOH E . W 8 HOH 26 426 257 HOH HOH E . W 8 HOH 27 427 268 HOH HOH E . W 8 HOH 28 428 445 HOH HOH E . W 8 HOH 29 429 42 HOH HOH E . W 8 HOH 30 430 240 HOH HOH E . W 8 HOH 31 431 588 HOH HOH E . W 8 HOH 32 432 127 HOH HOH E . W 8 HOH 33 433 414 HOH HOH E . W 8 HOH 34 434 262 HOH HOH E . W 8 HOH 35 435 200 HOH HOH E . W 8 HOH 36 436 526 HOH HOH E . W 8 HOH 37 437 139 HOH HOH E . W 8 HOH 38 438 269 HOH HOH E . W 8 HOH 39 439 543 HOH HOH E . W 8 HOH 40 440 587 HOH HOH E . W 8 HOH 41 441 40 HOH HOH E . W 8 HOH 42 442 267 HOH HOH E . W 8 HOH 43 443 253 HOH HOH E . W 8 HOH 44 444 325 HOH HOH E . W 8 HOH 45 445 317 HOH HOH E . W 8 HOH 46 446 318 HOH HOH E . W 8 HOH 47 447 277 HOH HOH E . W 8 HOH 48 448 136 HOH HOH E . W 8 HOH 49 449 262 HOH HOH E . W 8 HOH 50 450 189 HOH HOH E . W 8 HOH 51 451 451 HOH HOH E . W 8 HOH 52 452 432 HOH HOH E . W 8 HOH 53 453 129 HOH HOH E . W 8 HOH 54 454 145 HOH HOH E . W 8 HOH 55 455 469 HOH HOH E . W 8 HOH 56 456 102 HOH HOH E . W 8 HOH 57 457 446 HOH HOH E . W 8 HOH 58 458 256 HOH HOH E . W 8 HOH 59 459 74 HOH HOH E . W 8 HOH 60 460 582 HOH HOH E . W 8 HOH 61 461 119 HOH HOH E . W 8 HOH 62 462 225 HOH HOH E . W 8 HOH 63 463 368 HOH HOH E . W 8 HOH 64 464 358 HOH HOH E . W 8 HOH 65 465 90 HOH HOH E . W 8 HOH 66 466 435 HOH HOH E . W 8 HOH 67 467 272 HOH HOH E . W 8 HOH 68 468 113 HOH HOH E . W 8 HOH 69 469 88 HOH HOH E . W 8 HOH 70 470 377 HOH HOH E . W 8 HOH 71 471 166 HOH HOH E . W 8 HOH 72 472 362 HOH HOH E . W 8 HOH 73 473 339 HOH HOH E . W 8 HOH 74 474 245 HOH HOH E . W 8 HOH 75 475 586 HOH HOH E . X 8 HOH 1 301 120 HOH HOH F . X 8 HOH 2 302 494 HOH HOH F . X 8 HOH 3 303 4 HOH HOH F . X 8 HOH 4 304 86 HOH HOH F . X 8 HOH 5 305 439 HOH HOH F . X 8 HOH 6 306 234 HOH HOH F . X 8 HOH 7 307 82 HOH HOH F . X 8 HOH 8 308 148 HOH HOH F . X 8 HOH 9 309 472 HOH HOH F . X 8 HOH 10 310 318 HOH HOH F . X 8 HOH 11 311 18 HOH HOH F . X 8 HOH 12 312 133 HOH HOH F . X 8 HOH 13 313 39 HOH HOH F . X 8 HOH 14 314 513 HOH HOH F . X 8 HOH 15 315 458 HOH HOH F . X 8 HOH 16 316 329 HOH HOH F . X 8 HOH 17 317 471 HOH HOH F . X 8 HOH 18 318 92 HOH HOH F . X 8 HOH 19 319 468 HOH HOH F . X 8 HOH 20 320 106 HOH HOH F . X 8 HOH 21 321 32 HOH HOH F . X 8 HOH 22 322 256 HOH HOH F . X 8 HOH 23 323 7 HOH HOH F . X 8 HOH 24 324 150 HOH HOH F . X 8 HOH 25 325 388 HOH HOH F . X 8 HOH 26 326 25 HOH HOH F . X 8 HOH 27 327 112 HOH HOH F . X 8 HOH 28 328 516 HOH HOH F . X 8 HOH 29 329 112 HOH HOH F . X 8 HOH 30 330 127 HOH HOH F . X 8 HOH 31 331 23 HOH HOH F . X 8 HOH 32 332 8 HOH HOH F . X 8 HOH 33 333 6 HOH HOH F . X 8 HOH 34 334 215 HOH HOH F . X 8 HOH 35 335 12 HOH HOH F . X 8 HOH 36 336 506 HOH HOH F . X 8 HOH 37 337 236 HOH HOH F . X 8 HOH 38 338 105 HOH HOH F . X 8 HOH 39 339 222 HOH HOH F . X 8 HOH 40 340 555 HOH HOH F . X 8 HOH 41 341 134 HOH HOH F . X 8 HOH 42 342 215 HOH HOH F . X 8 HOH 43 343 67 HOH HOH F . X 8 HOH 44 344 131 HOH HOH F . X 8 HOH 45 345 117 HOH HOH F . X 8 HOH 46 346 95 HOH HOH F . X 8 HOH 47 347 93 HOH HOH F . X 8 HOH 48 348 171 HOH HOH F . X 8 HOH 49 349 185 HOH HOH F . X 8 HOH 50 350 10 HOH HOH F . X 8 HOH 51 351 154 HOH HOH F . X 8 HOH 52 352 338 HOH HOH F . X 8 HOH 53 353 299 HOH HOH F . X 8 HOH 54 354 407 HOH HOH F . X 8 HOH 55 355 27 HOH HOH F . X 8 HOH 56 356 509 HOH HOH F . X 8 HOH 57 357 330 HOH HOH F . X 8 HOH 58 358 266 HOH HOH F . X 8 HOH 59 359 342 HOH HOH F . X 8 HOH 60 360 527 HOH HOH F . X 8 HOH 61 361 475 HOH HOH F . X 8 HOH 62 362 53 HOH HOH F . X 8 HOH 63 363 237 HOH HOH F . X 8 HOH 64 364 480 HOH HOH F . X 8 HOH 65 365 363 HOH HOH F . X 8 HOH 66 366 341 HOH HOH F . X 8 HOH 67 367 508 HOH HOH F . X 8 HOH 68 368 199 HOH HOH F . X 8 HOH 69 369 153 HOH HOH F . X 8 HOH 70 370 291 HOH HOH F . X 8 HOH 71 371 214 HOH HOH F . X 8 HOH 72 372 265 HOH HOH F . X 8 HOH 73 373 434 HOH HOH F . X 8 HOH 74 374 78 HOH HOH F . X 8 HOH 75 375 244 HOH HOH F . X 8 HOH 76 376 230 HOH HOH F . X 8 HOH 77 377 292 HOH HOH F . X 8 HOH 78 378 470 HOH HOH F . X 8 HOH 79 379 33 HOH HOH F . X 8 HOH 80 380 433 HOH HOH F . X 8 HOH 81 381 138 HOH HOH F . X 8 HOH 82 382 275 HOH HOH F . X 8 HOH 83 383 38 HOH HOH F . X 8 HOH 84 384 104 HOH HOH F . X 8 HOH 85 385 218 HOH HOH F . X 8 HOH 86 386 47 HOH HOH F . X 8 HOH 87 387 350 HOH HOH F . X 8 HOH 88 388 556 HOH HOH F . X 8 HOH 89 389 47 HOH HOH F . X 8 HOH 90 390 507 HOH HOH F . X 8 HOH 91 391 566 HOH HOH F . X 8 HOH 92 392 20 HOH HOH F . X 8 HOH 93 393 537 HOH HOH F . X 8 HOH 94 394 444 HOH HOH F . X 8 HOH 95 395 268 HOH HOH F . X 8 HOH 96 396 581 HOH HOH F . X 8 HOH 97 397 77 HOH HOH F . X 8 HOH 98 398 43 HOH HOH F . X 8 HOH 99 399 132 HOH HOH F . X 8 HOH 100 400 282 HOH HOH F . X 8 HOH 101 401 498 HOH HOH F . X 8 HOH 102 402 108 HOH HOH F . X 8 HOH 103 403 97 HOH HOH F . X 8 HOH 104 404 447 HOH HOH F . X 8 HOH 105 405 146 HOH HOH F . X 8 HOH 106 406 364 HOH HOH F . X 8 HOH 107 407 272 HOH HOH F . X 8 HOH 108 408 109 HOH HOH F . X 8 HOH 109 409 94 HOH HOH F . X 8 HOH 110 410 227 HOH HOH F . X 8 HOH 111 411 290 HOH HOH F . X 8 HOH 112 412 579 HOH HOH F . X 8 HOH 113 413 22 HOH HOH F . X 8 HOH 114 414 248 HOH HOH F . X 8 HOH 115 415 495 HOH HOH F . X 8 HOH 116 416 113 HOH HOH F . X 8 HOH 117 417 153 HOH HOH F . X 8 HOH 118 418 283 HOH HOH F . X 8 HOH 119 419 565 HOH HOH F . X 8 HOH 120 420 323 HOH HOH F . X 8 HOH 121 421 218 HOH HOH F . X 8 HOH 122 422 266 HOH HOH F . X 8 HOH 123 423 515 HOH HOH F . X 8 HOH 124 424 223 HOH HOH F . X 8 HOH 125 425 592 HOH HOH F . X 8 HOH 126 426 332 HOH HOH F . X 8 HOH 127 427 126 HOH HOH F . X 8 HOH 128 428 130 HOH HOH F . X 8 HOH 129 429 571 HOH HOH F . X 8 HOH 130 430 580 HOH HOH F . X 8 HOH 131 431 35 HOH HOH F . X 8 HOH 132 432 151 HOH HOH F . X 8 HOH 133 433 167 HOH HOH F . X 8 HOH 134 434 497 HOH HOH F . X 8 HOH 135 435 572 HOH HOH F . X 8 HOH 136 436 570 HOH HOH F . X 8 HOH 137 437 319 HOH HOH F . X 8 HOH 138 438 258 HOH HOH F . X 8 HOH 139 439 453 HOH HOH F . X 8 HOH 140 440 357 HOH HOH F . X 8 HOH 141 441 204 HOH HOH F . X 8 HOH 142 442 196 HOH HOH F . X 8 HOH 143 443 265 HOH HOH F . X 8 HOH 144 444 423 HOH HOH F . X 8 HOH 145 445 413 HOH HOH F . Y 8 HOH 1 401 163 HOH HOH G . Y 8 HOH 2 402 93 HOH HOH G . Y 8 HOH 3 403 461 HOH HOH G . Y 8 HOH 4 404 531 HOH HOH G . Y 8 HOH 5 405 186 HOH HOH G . Y 8 HOH 6 406 89 HOH HOH G . Y 8 HOH 7 407 455 HOH HOH G . Y 8 HOH 8 408 569 HOH HOH G . Y 8 HOH 9 409 65 HOH HOH G . Y 8 HOH 10 410 239 HOH HOH G . Y 8 HOH 11 411 532 HOH HOH G . Y 8 HOH 12 412 529 HOH HOH G . Y 8 HOH 13 413 306 HOH HOH G . Y 8 HOH 14 414 21 HOH HOH G . Y 8 HOH 15 415 524 HOH HOH G . Y 8 HOH 16 416 103 HOH HOH G . Y 8 HOH 17 417 568 HOH HOH G . Y 8 HOH 18 418 383 HOH HOH G . Y 8 HOH 19 419 131 HOH HOH G . Y 8 HOH 20 420 397 HOH HOH G . Y 8 HOH 21 421 542 HOH HOH G . Y 8 HOH 22 422 120 HOH HOH G . Y 8 HOH 23 423 103 HOH HOH G . Y 8 HOH 24 424 348 HOH HOH G . Y 8 HOH 25 425 198 HOH HOH G . Y 8 HOH 26 426 255 HOH HOH G . Y 8 HOH 27 427 270 HOH HOH G . Y 8 HOH 28 428 213 HOH HOH G . Y 8 HOH 29 429 533 HOH HOH G . Y 8 HOH 30 430 254 HOH HOH G . Y 8 HOH 31 431 382 HOH HOH G . Y 8 HOH 32 432 119 HOH HOH G . Y 8 HOH 33 433 199 HOH HOH G . Y 8 HOH 34 434 186 HOH HOH G . Y 8 HOH 35 435 243 HOH HOH G . Y 8 HOH 36 436 530 HOH HOH G . Y 8 HOH 37 437 118 HOH HOH G . Y 8 HOH 38 438 329 HOH HOH G . Y 8 HOH 39 439 205 HOH HOH G . Y 8 HOH 40 440 111 HOH HOH G . Y 8 HOH 41 441 271 HOH HOH G . Y 8 HOH 42 442 181 HOH HOH G . Y 8 HOH 43 443 293 HOH HOH G . Y 8 HOH 44 444 76 HOH HOH G . Z 8 HOH 1 301 518 HOH HOH H . Z 8 HOH 2 302 22 HOH HOH H . Z 8 HOH 3 303 60 HOH HOH H . Z 8 HOH 4 304 182 HOH HOH H . Z 8 HOH 5 305 481 HOH HOH H . Z 8 HOH 6 306 226 HOH HOH H . Z 8 HOH 7 307 540 HOH HOH H . Z 8 HOH 8 308 3 HOH HOH H . Z 8 HOH 9 309 385 HOH HOH H . Z 8 HOH 10 310 154 HOH HOH H . Z 8 HOH 11 311 71 HOH HOH H . Z 8 HOH 12 312 290 HOH HOH H . Z 8 HOH 13 313 111 HOH HOH H . Z 8 HOH 14 314 69 HOH HOH H . Z 8 HOH 15 315 404 HOH HOH H . Z 8 HOH 16 316 13 HOH HOH H . Z 8 HOH 17 317 237 HOH HOH H . Z 8 HOH 18 318 143 HOH HOH H . Z 8 HOH 19 319 554 HOH HOH H . Z 8 HOH 20 320 428 HOH HOH H . Z 8 HOH 21 321 373 HOH HOH H . Z 8 HOH 22 322 233 HOH HOH H . Z 8 HOH 23 323 163 HOH HOH H . Z 8 HOH 24 324 67 HOH HOH H . Z 8 HOH 25 325 72 HOH HOH H . Z 8 HOH 26 326 285 HOH HOH H . Z 8 HOH 27 327 534 HOH HOH H . Z 8 HOH 28 328 49 HOH HOH H . Z 8 HOH 29 329 372 HOH HOH H . Z 8 HOH 30 330 99 HOH HOH H . Z 8 HOH 31 331 8 HOH HOH H . Z 8 HOH 32 332 126 HOH HOH H . Z 8 HOH 33 333 21 HOH HOH H . Z 8 HOH 34 334 259 HOH HOH H . Z 8 HOH 35 335 384 HOH HOH H . Z 8 HOH 36 336 11 HOH HOH H . Z 8 HOH 37 337 61 HOH HOH H . Z 8 HOH 38 338 260 HOH HOH H . Z 8 HOH 39 339 283 HOH HOH H . Z 8 HOH 40 340 223 HOH HOH H . Z 8 HOH 41 341 231 HOH HOH H . Z 8 HOH 42 342 13 HOH HOH H . Z 8 HOH 43 343 208 HOH HOH H . Z 8 HOH 44 344 168 HOH HOH H . Z 8 HOH 45 345 157 HOH HOH H . Z 8 HOH 46 346 340 HOH HOH H . Z 8 HOH 47 347 314 HOH HOH H . Z 8 HOH 48 348 322 HOH HOH H . Z 8 HOH 49 349 278 HOH HOH H . Z 8 HOH 50 350 190 HOH HOH H . Z 8 HOH 51 351 211 HOH HOH H . Z 8 HOH 52 352 210 HOH HOH H . Z 8 HOH 53 353 544 HOH HOH H . Z 8 HOH 54 354 326 HOH HOH H . Z 8 HOH 55 355 261 HOH HOH H . Z 8 HOH 56 356 63 HOH HOH H . Z 8 HOH 57 357 187 HOH HOH H . Z 8 HOH 58 358 95 HOH HOH H . Z 8 HOH 59 359 58 HOH HOH H . Z 8 HOH 60 360 206 HOH HOH H . Z 8 HOH 61 361 307 HOH HOH H . Z 8 HOH 62 362 125 HOH HOH H . Z 8 HOH 63 363 443 HOH HOH H . Z 8 HOH 64 364 289 HOH HOH H . Z 8 HOH 65 365 5 HOH HOH H . Z 8 HOH 66 366 190 HOH HOH H . Z 8 HOH 67 367 122 HOH HOH H . Z 8 HOH 68 368 50 HOH HOH H . Z 8 HOH 69 369 100 HOH HOH H . Z 8 HOH 70 370 500 HOH HOH H . Z 8 HOH 71 371 54 HOH HOH H . Z 8 HOH 72 372 312 HOH HOH H . Z 8 HOH 73 373 499 HOH HOH H . Z 8 HOH 74 374 264 HOH HOH H . Z 8 HOH 75 375 374 HOH HOH H . Z 8 HOH 76 376 58 HOH HOH H . Z 8 HOH 77 377 293 HOH HOH H . Z 8 HOH 78 378 168 HOH HOH H . Z 8 HOH 79 379 299 HOH HOH H . Z 8 HOH 80 380 273 HOH HOH H . Z 8 HOH 81 381 65 HOH HOH H . AA 8 HOH 1 101 505 HOH HOH I . AA 8 HOH 2 102 5 HOH HOH I . AA 8 HOH 3 103 50 HOH HOH I . AA 8 HOH 4 104 504 HOH HOH I . AA 8 HOH 5 105 75 HOH HOH I . AA 8 HOH 6 106 73 HOH HOH I . AA 8 HOH 7 107 249 HOH HOH I . AA 8 HOH 8 108 264 HOH HOH I . AA 8 HOH 9 109 188 HOH HOH I . BA 8 HOH 1 101 79 HOH HOH J . BA 8 HOH 2 102 64 HOH HOH J . BA 8 HOH 3 103 94 HOH HOH J . BA 8 HOH 4 104 274 HOH HOH J . # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? pentameric 5 2 author_defined_assembly ? pentameric 5 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,G,H,J,K,L,M,R,S,T,Y,Z,BA 2 1 C,D,E,F,I,N,O,P,Q,U,V,W,X,AA # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OE1 ? A GLN 47 ? A GLN 44 ? 1_555 CA ? L CA . ? A CA 302 ? 1_555 O ? S HOH . ? A HOH 450 ? 1_555 82.4 ? 2 OE1 ? E GLN 149 ? E GLN 164 ? 1_555 CA ? Q CA . ? E CA 301 ? 1_555 OD1 ? E ASP 159 ? E ASP 174 ? 1_555 98.5 ? 3 OE1 ? G GLN 149 ? G GLN 164 ? 1_555 CA ? R CA . ? G CA 301 ? 1_555 OD1 ? G ASP 159 ? G ASP 174 ? 1_555 132.5 ? 4 OE1 ? G GLN 149 ? G GLN 164 ? 1_555 CA ? R CA . ? G CA 301 ? 1_555 O ? Y HOH . ? G HOH 408 ? 1_555 62.6 ? 5 OD1 ? G ASP 159 ? G ASP 174 ? 1_555 CA ? R CA . ? G CA 301 ? 1_555 O ? Y HOH . ? G HOH 408 ? 1_555 92.8 ? # 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 2016-09-21 2 'Structure model' 1 1 2016-10-19 3 'Structure model' 1 2 2017-09-06 # _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 ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Author supporting evidence' 3 3 'Structure model' 'Data collection' 4 3 'Structure model' 'Database references' 5 3 'Structure model' 'Derived calculations' # 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 3 'Structure model' citation 2 3 'Structure model' diffrn_source 3 3 'Structure model' pdbx_audit_support 4 3 'Structure model' pdbx_struct_oper_list # 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 3 'Structure model' '_citation.journal_id_CSD' 2 3 'Structure model' '_diffrn_source.pdbx_synchrotron_site' 3 3 'Structure model' '_pdbx_audit_support.funding_organization' 4 3 'Structure model' '_pdbx_struct_oper_list.symmetry_operation' # 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 9.5003 -19.9753 25.4230 -0.0508 0.0255 -0.1217 -0.0287 0.0042 -0.0280 1.0467 0.6692 1.5665 -0.0891 0.7728 -0.3649 -0.0815 -0.1647 0.2347 0.1155 -0.0588 -0.0195 -0.2794 -0.1810 0.1403 'X-RAY DIFFRACTION' 2 ? refined 14.5750 -35.2211 30.5446 -0.0658 0.0172 -0.1555 -0.0209 0.0424 0.0464 0.9836 0.5097 1.8271 -0.1996 0.6192 0.0341 -0.0412 -0.2289 -0.1027 0.1578 0.0470 0.0548 0.1082 -0.1313 -0.0058 'X-RAY DIFFRACTION' 3 ? refined 15.0728 5.9341 -90.6624 -0.1436 -0.1395 0.1016 -0.0223 0.0125 -0.0942 2.0397 0.9392 1.5248 -0.3631 0.4852 -0.2229 -0.1341 -0.5358 0.4263 0.1788 0.0133 -0.0516 -0.3375 -0.2086 0.1208 'X-RAY DIFFRACTION' 4 ? refined 19.8419 -9.4393 -87.8914 -0.1793 -0.1221 -0.0109 -0.0224 0.0524 0.0500 2.3150 0.6390 2.1846 -0.2719 0.9998 -0.2244 -0.0837 -0.6276 -0.1340 0.2015 0.1035 0.0686 0.0199 -0.1676 -0.0199 'X-RAY DIFFRACTION' 5 ? refined 42.2116 -10.6730 -139.3006 -0.1391 -0.1656 0.1084 0.1059 0.0391 0.0094 1.3804 0.5994 4.5371 0.2472 -2.0917 -0.3094 -0.1873 -0.0973 -0.0563 -0.1611 0.0045 0.0179 0.3192 0.4144 0.1828 'X-RAY DIFFRACTION' 6 ? refined 32.2648 4.7388 -144.1905 -0.1148 -0.0676 0.1081 -0.0233 0.0064 -0.0571 0.7312 0.0667 1.4405 -0.3610 -1.0783 -0.2575 0.0279 0.2000 -0.0664 -0.0419 -0.0224 0.1004 0.0285 -0.0701 -0.0055 'X-RAY DIFFRACTION' 7 ? refined 36.6831 -36.5916 -23.0247 -0.0880 0.0155 -0.1064 0.0505 0.0171 -0.0072 1.3856 0.3442 4.0528 -0.0397 -2.4644 0.3349 -0.1777 -0.0553 -0.1311 -0.0723 0.0367 0.0241 0.3297 0.1705 0.1410 'X-RAY DIFFRACTION' 8 ? refined 26.6115 -21.2168 -28.1468 -0.1150 0.0898 -0.1995 -0.0461 -0.0133 -0.0853 1.7460 0.0113 1.8108 -0.4648 -1.8206 -0.2965 0.0342 0.4260 -0.1045 -0.0100 0.0041 0.0727 0.0117 -0.3487 -0.0383 'X-RAY DIFFRACTION' 9 ? refined 20.3370 -4.1074 -110.0395 -0.2021 -0.2908 0.2232 -0.0246 0.0511 -0.0091 0.4542 5.1538 2.0981 -1.8467 -1.3430 -1.9675 0.0232 -0.0006 -0.0547 -0.0464 -0.0881 -0.0386 -0.1040 0.0415 0.0649 'X-RAY DIFFRACTION' 10 ? refined 14.7865 -30.0038 6.0008 -0.0511 -0.0369 -0.0032 0.0407 0.0407 -0.0069 0.5477 3.6388 1.6557 -0.6101 -2.4959 -1.1797 0.0078 0.0637 0.0039 -0.0061 -0.0502 -0.0919 -0.0420 -0.0322 0.0423 # 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|* }' 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? '{ B|* }' 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? '{ C|* }' 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? '{ D|* }' 'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? '{ E|* }' 'X-RAY DIFFRACTION' 6 6 ? ? ? ? ? ? ? ? ? '{ F|* }' 'X-RAY DIFFRACTION' 7 7 ? ? ? ? ? ? ? ? ? '{ G|* }' 'X-RAY DIFFRACTION' 8 8 ? ? ? ? ? ? ? ? ? '{ H|* }' 'X-RAY DIFFRACTION' 9 9 ? ? ? ? ? ? ? ? ? '{ I|* }' 'X-RAY DIFFRACTION' 10 10 ? ? ? ? ? ? ? ? ? '{ J|* }' # 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 ? ? ? ? ? ? ? ? ? ? ? BUSTER ? ? ? 2.10.2 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? MOSFLM ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALA ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 4 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 SG B CYS 117 ? ? SG B CYS 173 ? ? 1.36 2 1 OE1 E GLU 15 ? ? NH2 E ARG 123 ? ? 1.86 3 1 O H ASP 234 ? ? NZ H LYS 242 ? ? 1.88 4 1 CD1 B PHE 132 ? ? CD2 B HIS 174 ? B 2.17 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 NH2 _pdbx_validate_symm_contact.auth_asym_id_1 B _pdbx_validate_symm_contact.auth_comp_id_1 ARG _pdbx_validate_symm_contact.auth_seq_id_1 167 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 O _pdbx_validate_symm_contact.auth_asym_id_2 F _pdbx_validate_symm_contact.auth_comp_id_2 GLN _pdbx_validate_symm_contact.auth_seq_id_2 238 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 1_546 _pdbx_validate_symm_contact.dist 1.05 # 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 C A GLY 17 ? ? N A PRO 18 ? ? CD A PRO 18 ? ? 136.79 120.60 16.19 2.20 Y 2 1 C A PHE 113 ? ? N A PRO 114 ? ? CD A PRO 114 ? ? 137.52 120.60 16.92 2.20 Y 3 1 CA B CYS 173 ? ? CB B CYS 173 ? ? SG B CYS 173 ? ? 128.02 114.20 13.82 1.10 N 4 1 C C GLY 17 ? ? N C PRO 18 ? ? CD C PRO 18 ? ? 138.57 120.60 17.97 2.20 Y 5 1 C C PHE 113 ? ? N C PRO 114 ? ? CD C PRO 114 ? ? 138.28 120.60 17.68 2.20 Y 6 1 CB C ASP 142 ? ? CG C ASP 142 ? ? OD1 C ASP 142 ? ? 123.78 118.30 5.48 0.90 N 7 1 C E SER 13 ? ? N E PRO 14 ? ? CD E PRO 14 ? ? 137.45 120.60 16.85 2.20 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 B 33 ? ? 61.10 -115.58 2 1 THR B 89 ? ? -128.08 -82.12 3 1 ASN B 134 ? ? 55.13 -132.16 4 1 ASP C 158 ? ? -92.13 46.39 5 1 ASN D 33 ? ? 59.06 -115.09 6 1 VAL D 78 ? ? -120.89 -65.25 7 1 THR D 89 ? ? -119.51 -85.66 8 1 ASN D 134 ? ? 60.59 -127.24 9 1 GLU E 74 ? ? 60.39 -123.03 10 1 SER E 146 ? ? -126.23 -50.11 11 1 LEU F 53 ? ? -107.37 -65.37 12 1 ARG F 66 ? ? -110.66 -108.73 13 1 SER F 99 ? ? -58.93 109.42 14 1 ASP F 166 ? ? -83.53 39.34 15 1 ASP F 198 ? ? -103.72 51.58 16 1 ARG F 240 ? ? -59.98 170.92 17 1 GLU G 74 ? ? 60.80 -122.29 18 1 ASP G 147 ? ? 64.80 -4.44 19 1 LEU H 53 ? ? -106.23 -62.04 20 1 ARG H 66 ? ? -114.21 -117.01 21 1 ASN H 70 ? ? -84.87 46.23 22 1 HIS H 150 ? ? -136.44 -40.16 23 1 PRO H 165 ? ? -75.29 -168.75 24 1 ASP H 166 ? ? -91.94 37.41 25 1 ASP H 198 ? ? -105.61 44.06 # _pdbx_validate_main_chain_plane.id 1 _pdbx_validate_main_chain_plane.PDB_model_num 1 _pdbx_validate_main_chain_plane.auth_comp_id HIS _pdbx_validate_main_chain_plane.auth_asym_id B _pdbx_validate_main_chain_plane.auth_seq_id 174 _pdbx_validate_main_chain_plane.PDB_ins_code ? _pdbx_validate_main_chain_plane.label_alt_id B _pdbx_validate_main_chain_plane.improper_torsion_angle 10.06 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A LYS 164 ? CG ? A LYS 167 CG 2 1 Y 1 A LYS 164 ? CD ? A LYS 167 CD 3 1 Y 1 A LYS 164 ? CE ? A LYS 167 CE 4 1 Y 1 A LYS 164 ? NZ ? A LYS 167 NZ 5 1 Y 1 A GLU 172 ? CG ? A GLU 175 CG 6 1 Y 1 A GLU 172 ? CD ? A GLU 175 CD 7 1 Y 1 A GLU 172 ? OE1 ? A GLU 175 OE1 8 1 Y 1 A GLU 172 ? OE2 ? A GLU 175 OE2 9 1 Y 1 B ASP 2 ? CG ? B ASP 32 CG 10 1 Y 1 B ASP 2 ? OD1 ? B ASP 32 OD1 11 1 Y 1 B ASP 2 ? OD2 ? B ASP 32 OD2 12 1 Y 1 B SER 102 ? OG ? B SER 132 OG 13 1 Y 1 B LYS 128 ? CG ? B LYS 158 CG 14 1 Y 1 B LYS 128 ? CD ? B LYS 158 CD 15 1 Y 1 B LYS 128 ? CE ? B LYS 158 CE 16 1 Y 1 B LYS 128 ? NZ ? B LYS 158 NZ 17 1 Y 1 B THR 140 ? OG1 ? B THR 170 OG1 18 1 Y 1 B THR 140 ? CG2 ? B THR 170 CG2 19 1 Y 1 B VAL 143 ? CG1 ? B VAL 173 CG1 20 1 Y 1 B VAL 143 ? CG2 ? B VAL 173 CG2 21 1 Y 1 C LYS 164 ? CG ? C LYS 167 CG 22 1 Y 1 C LYS 164 ? CD ? C LYS 167 CD 23 1 Y 1 C LYS 164 ? CE ? C LYS 167 CE 24 1 Y 1 C LYS 164 ? NZ ? C LYS 167 NZ 25 1 Y 1 C GLU 172 ? CG ? C GLU 175 CG 26 1 Y 1 C GLU 172 ? CD ? C GLU 175 CD 27 1 Y 1 C GLU 172 ? OE1 ? C GLU 175 OE1 28 1 Y 1 C GLU 172 ? OE2 ? C GLU 175 OE2 29 1 Y 1 D ASP 2 ? CG ? D ASP 32 CG 30 1 Y 1 D ASP 2 ? OD1 ? D ASP 32 OD1 31 1 Y 1 D ASP 2 ? OD2 ? D ASP 32 OD2 32 1 Y 1 D SER 102 ? OG ? D SER 132 OG 33 1 Y 1 D LEU 114 ? CG ? D LEU 144 CG 34 1 Y 1 D LEU 114 ? CD1 ? D LEU 144 CD1 35 1 Y 1 D LEU 114 ? CD2 ? D LEU 144 CD2 36 1 Y 1 D LYS 128 ? CG ? D LYS 158 CG 37 1 Y 1 D LYS 128 ? CD ? D LYS 158 CD 38 1 Y 1 D LYS 128 ? CE ? D LYS 158 CE 39 1 Y 1 D LYS 128 ? NZ ? D LYS 158 NZ 40 1 Y 1 D ASP 135 ? CG ? D ASP 165 CG 41 1 Y 1 D ASP 135 ? OD1 ? D ASP 165 OD1 42 1 Y 1 D ASP 135 ? OD2 ? D ASP 165 OD2 43 1 Y 1 D GLN 136 ? CG ? D GLN 166 CG 44 1 Y 1 D GLN 136 ? CD ? D GLN 166 CD 45 1 Y 1 D GLN 136 ? OE1 ? D GLN 166 OE1 46 1 Y 1 D GLN 136 ? NE2 ? D GLN 166 NE2 47 1 Y 1 D GLU 137 ? CG ? D GLU 167 CG 48 1 Y 1 D GLU 137 ? CD ? D GLU 167 CD 49 1 Y 1 D GLU 137 ? OE1 ? D GLU 167 OE1 50 1 Y 1 D GLU 137 ? OE2 ? D GLU 167 OE2 51 1 Y 1 D GLU 138 ? CG ? D GLU 168 CG 52 1 Y 1 D GLU 138 ? CD ? D GLU 168 CD 53 1 Y 1 D GLU 138 ? OE1 ? D GLU 168 OE1 54 1 Y 1 D GLU 138 ? OE2 ? D GLU 168 OE2 55 1 Y 1 D THR 139 ? OG1 ? D THR 169 OG1 56 1 Y 1 D THR 139 ? CG2 ? D THR 169 CG2 57 1 Y 1 D THR 140 ? OG1 ? D THR 170 OG1 58 1 Y 1 D THR 140 ? CG2 ? D THR 170 CG2 59 1 Y 1 D VAL 143 ? CG1 ? D VAL 173 CG1 60 1 Y 1 D VAL 143 ? CG2 ? D VAL 173 CG2 61 1 Y 1 D GLU 162 ? CG ? D GLU 192 CG 62 1 Y 1 D GLU 162 ? CD ? D GLU 192 CD 63 1 Y 1 D GLU 162 ? OE1 ? D GLU 192 OE1 64 1 Y 1 D GLU 162 ? OE2 ? D GLU 192 OE2 65 1 Y 1 D THR 172 ? OG1 ? D THR 202 OG1 66 1 Y 1 D THR 172 ? CG2 ? D THR 202 CG2 67 1 Y 1 D ARG 189 ? CB ? D ARG 219 CB 68 1 Y 1 D ARG 189 ? CG ? D ARG 219 CG 69 1 Y 1 D ARG 189 ? CD ? D ARG 219 CD 70 1 Y 1 D ARG 189 ? NE ? D ARG 219 NE 71 1 Y 1 D ARG 189 ? CZ ? D ARG 219 CZ 72 1 Y 1 D ARG 189 ? NH1 ? D ARG 219 NH1 73 1 Y 1 D ARG 189 ? NH2 ? D ARG 219 NH2 74 1 Y 1 E ASP 147 ? CG ? E ASP 132 CG 75 1 Y 1 E ASP 147 ? OD1 ? E ASP 132 OD1 76 1 Y 1 E ASP 147 ? OD2 ? E ASP 132 OD2 77 1 Y 1 E GLN 159 ? CG ? E GLN 144 CG 78 1 Y 1 E GLN 159 ? CD ? E GLN 144 CD 79 1 Y 1 E GLN 159 ? OE1 ? E GLN 144 OE1 80 1 Y 1 E GLN 159 ? NE2 ? E GLN 144 NE2 81 1 Y 1 E SER 168 ? OG ? E SER 153 OG 82 1 Y 1 E SER 182 ? OG ? E SER 167 OG 83 1 Y 1 E LYS 196 ? CG ? E LYS 181 CG 84 1 Y 1 E LYS 196 ? CD ? E LYS 181 CD 85 1 Y 1 E LYS 196 ? CE ? E LYS 181 CE 86 1 Y 1 E LYS 196 ? NZ ? E LYS 181 NZ 87 1 Y 1 E SER 197 ? OG ? E SER 182 OG 88 1 Y 1 F ARG 18 ? CG ? F ARG 17 CG 89 1 Y 1 F ARG 18 ? CD ? F ARG 17 CD 90 1 Y 1 F ARG 18 ? NE ? F ARG 17 NE 91 1 Y 1 F ARG 18 ? CZ ? F ARG 17 CZ 92 1 Y 1 F ARG 18 ? NH1 ? F ARG 17 NH1 93 1 Y 1 F ARG 18 ? NH2 ? F ARG 17 NH2 94 1 Y 1 F LYS 131 ? CG ? F LYS 116 CG 95 1 Y 1 F LYS 131 ? CD ? F LYS 116 CD 96 1 Y 1 F LYS 131 ? CE ? F LYS 116 CE 97 1 Y 1 F LYS 131 ? NZ ? F LYS 116 NZ 98 1 Y 1 F GLU 232 ? CG ? F GLU 217 CG 99 1 Y 1 F GLU 232 ? CD ? F GLU 217 CD 100 1 Y 1 F GLU 232 ? OE1 ? F GLU 217 OE1 101 1 Y 1 F GLU 232 ? OE2 ? F GLU 217 OE2 102 1 Y 1 F GLU 235 ? CG ? F GLU 220 CG 103 1 Y 1 F GLU 235 ? CD ? F GLU 220 CD 104 1 Y 1 F GLU 235 ? OE1 ? F GLU 220 OE1 105 1 Y 1 F GLU 235 ? OE2 ? F GLU 220 OE2 106 1 Y 1 G ARG 141 ? CG ? G ARG 126 CG 107 1 Y 1 G ARG 141 ? CD ? G ARG 126 CD 108 1 Y 1 G ARG 141 ? NE ? G ARG 126 NE 109 1 Y 1 G ARG 141 ? CZ ? G ARG 126 CZ 110 1 Y 1 G ARG 141 ? NH1 ? G ARG 126 NH1 111 1 Y 1 G ARG 141 ? NH2 ? G ARG 126 NH2 112 1 Y 1 G LYS 144 ? CG ? G LYS 129 CG 113 1 Y 1 G LYS 144 ? CD ? G LYS 129 CD 114 1 Y 1 G LYS 144 ? CE ? G LYS 129 CE 115 1 Y 1 G LYS 144 ? NZ ? G LYS 129 NZ 116 1 Y 1 G SER 146 ? OG ? G SER 131 OG 117 1 Y 1 G ASP 147 ? CG ? G ASP 132 CG 118 1 Y 1 G ASP 147 ? OD1 ? G ASP 132 OD1 119 1 Y 1 G ASP 147 ? OD2 ? G ASP 132 OD2 120 1 Y 1 G GLN 159 ? CG ? G GLN 144 CG 121 1 Y 1 G GLN 159 ? CD ? G GLN 144 CD 122 1 Y 1 G GLN 159 ? OE1 ? G GLN 144 OE1 123 1 Y 1 G GLN 159 ? NE2 ? G GLN 144 NE2 124 1 Y 1 G SER 168 ? OG ? G SER 153 OG 125 1 Y 1 G SER 182 ? OG ? G SER 167 OG 126 1 Y 1 G LYS 196 ? CG ? G LYS 181 CG 127 1 Y 1 G LYS 196 ? CD ? G LYS 181 CD 128 1 Y 1 G LYS 196 ? CE ? G LYS 181 CE 129 1 Y 1 G LYS 196 ? NZ ? G LYS 181 NZ 130 1 Y 1 G SER 197 ? OG ? G SER 182 OG 131 1 Y 1 H ASP 47 ? CG ? H ASP 39 CG 132 1 Y 1 H ASP 47 ? OD1 ? H ASP 39 OD1 133 1 Y 1 H ASP 47 ? OD2 ? H ASP 39 OD2 134 1 Y 1 H GLU 74 ? CG ? H GLU 61 CG 135 1 Y 1 H GLU 74 ? CD ? H GLU 61 CD 136 1 Y 1 H GLU 74 ? OE1 ? H GLU 61 OE1 137 1 Y 1 H GLU 74 ? OE2 ? H GLU 61 OE2 138 1 Y 1 H LYS 131 ? CG ? H LYS 116 CG 139 1 Y 1 H LYS 131 ? CD ? H LYS 116 CD 140 1 Y 1 H LYS 131 ? CE ? H LYS 116 CE 141 1 Y 1 H LYS 131 ? NZ ? H LYS 116 NZ 142 1 Y 1 H GLU 232 ? CG ? H GLU 217 CG 143 1 Y 1 H GLU 232 ? CD ? H GLU 217 CD 144 1 Y 1 H GLU 232 ? OE1 ? H GLU 217 OE1 145 1 Y 1 H GLU 232 ? OE2 ? H GLU 217 OE2 146 1 Y 1 H GLU 235 ? CG ? H GLU 220 CG 147 1 Y 1 H GLU 235 ? CD ? H GLU 220 CD 148 1 Y 1 H GLU 235 ? OE1 ? H GLU 220 OE1 149 1 Y 1 H GLU 235 ? OE2 ? H GLU 220 OE2 150 1 Y 1 I GLN 12 ? CG ? I GLN 16 CG 151 1 Y 1 I GLN 12 ? CD ? I GLN 16 CD 152 1 Y 1 I GLN 12 ? OE1 ? I GLN 16 OE1 153 1 Y 1 I GLN 12 ? NE2 ? I GLN 16 NE2 154 1 Y 1 J GLN 12 ? CG ? J GLN 16 CG 155 1 Y 1 J GLN 12 ? CD ? J GLN 16 CD 156 1 Y 1 J GLN 12 ? OE1 ? J GLN 16 OE1 157 1 Y 1 J GLN 12 ? NE2 ? J GLN 16 NE2 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLU -1 ? A GLU 1 2 1 Y 1 A GLU 181 ? A GLU 184 3 1 Y 1 A THR 182 ? A THR 185 4 1 Y 1 A SER 183 ? A SER 186 5 1 Y 1 A GLY 184 ? A GLY 187 6 1 Y 1 A ASP 185 ? A ASP 188 7 1 Y 1 A ASP 186 ? A ASP 189 8 1 Y 1 A ASP 187 ? A ASP 190 9 1 Y 1 A ASP 188 ? A ASP 191 10 1 Y 1 A LYS 189 ? A LYS 192 11 1 Y 1 B PRO -29 ? B PRO 1 12 1 Y 1 B SER -28 ? B SER 2 13 1 Y 1 B GLY -27 ? B GLY 3 14 1 Y 1 B GLU -26 ? B GLU 4 15 1 Y 1 B GLY -25 ? B GLY 5 16 1 Y 1 B SER -24 ? B SER 6 17 1 Y 1 B PHE -23 ? B PHE 7 18 1 Y 1 B GLN -22 ? B GLN 8 19 1 Y 1 B PRO -21 ? B PRO 9 20 1 Y 1 B SER -20 ? B SER 10 21 1 Y 1 B GLN -19 ? B GLN 11 22 1 Y 1 B GLU -18 ? B GLU 12 23 1 Y 1 B ASN -17 ? B ASN 13 24 1 Y 1 B PRO -16 ? B PRO 14 25 1 Y 1 B GLN -15 ? B GLN 15 26 1 Y 1 B GLY -14 ? B GLY 16 27 1 Y 1 B SER -13 ? B SER 17 28 1 Y 1 B GLY -12 ? B GLY 18 29 1 Y 1 B GLY -11 ? B GLY 19 30 1 Y 1 B SER -10 ? B SER 20 31 1 Y 1 B ILE -9 ? B ILE 21 32 1 Y 1 B GLU -8 ? B GLU 22 33 1 Y 1 B GLY -7 ? B GLY 23 34 1 Y 1 B ARG -6 ? B ARG 24 35 1 Y 1 B GLY -5 ? B GLY 25 36 1 Y 1 B GLY -4 ? B GLY 26 37 1 Y 1 B SER -3 ? B SER 27 38 1 Y 1 B GLY -2 ? B GLY 28 39 1 Y 1 B ALA -1 ? B ALA 29 40 1 Y 1 B SER 0 ? B SER 30 41 1 Y 1 B ARG 1 ? B ARG 31 42 1 Y 1 B SER 104 ? B SER 134 43 1 Y 1 B ARG 105 ? B ARG 135 44 1 Y 1 B THR 106 ? B THR 136 45 1 Y 1 B GLU 107 ? B GLU 137 46 1 Y 1 B ALA 108 ? B ALA 138 47 1 Y 1 B LEU 109 ? B LEU 139 48 1 Y 1 B ASN 110 ? B ASN 140 49 1 Y 1 B HIS 111 ? B HIS 141 50 1 Y 1 B HIS 112 ? B HIS 142 51 1 Y 1 B ASN 113 ? B ASN 143 52 1 Y 1 B THR 193 ? B THR 223 53 1 Y 1 B GLY 194 ? B GLY 224 54 1 Y 1 B GLY 195 ? B GLY 225 55 1 Y 1 B ASP 196 ? B ASP 226 56 1 Y 1 B ASP 197 ? B ASP 227 57 1 Y 1 B ASP 198 ? B ASP 228 58 1 Y 1 B ASP 199 ? B ASP 229 59 1 Y 1 B LYS 200 ? B LYS 230 60 1 Y 1 C GLU -1 ? C GLU 1 61 1 Y 1 C GLU 181 ? C GLU 184 62 1 Y 1 C THR 182 ? C THR 185 63 1 Y 1 C SER 183 ? C SER 186 64 1 Y 1 C GLY 184 ? C GLY 187 65 1 Y 1 C ASP 185 ? C ASP 188 66 1 Y 1 C ASP 186 ? C ASP 189 67 1 Y 1 C ASP 187 ? C ASP 190 68 1 Y 1 C ASP 188 ? C ASP 191 69 1 Y 1 C LYS 189 ? C LYS 192 70 1 Y 1 D PRO -29 ? D PRO 1 71 1 Y 1 D SER -28 ? D SER 2 72 1 Y 1 D GLY -27 ? D GLY 3 73 1 Y 1 D GLU -26 ? D GLU 4 74 1 Y 1 D GLY -25 ? D GLY 5 75 1 Y 1 D SER -24 ? D SER 6 76 1 Y 1 D PHE -23 ? D PHE 7 77 1 Y 1 D GLN -22 ? D GLN 8 78 1 Y 1 D PRO -21 ? D PRO 9 79 1 Y 1 D SER -20 ? D SER 10 80 1 Y 1 D GLN -19 ? D GLN 11 81 1 Y 1 D GLU -18 ? D GLU 12 82 1 Y 1 D ASN -17 ? D ASN 13 83 1 Y 1 D PRO -16 ? D PRO 14 84 1 Y 1 D GLN -15 ? D GLN 15 85 1 Y 1 D GLY -14 ? D GLY 16 86 1 Y 1 D SER -13 ? D SER 17 87 1 Y 1 D GLY -12 ? D GLY 18 88 1 Y 1 D GLY -11 ? D GLY 19 89 1 Y 1 D SER -10 ? D SER 20 90 1 Y 1 D ILE -9 ? D ILE 21 91 1 Y 1 D GLU -8 ? D GLU 22 92 1 Y 1 D GLY -7 ? D GLY 23 93 1 Y 1 D ARG -6 ? D ARG 24 94 1 Y 1 D GLY -5 ? D GLY 25 95 1 Y 1 D GLY -4 ? D GLY 26 96 1 Y 1 D SER -3 ? D SER 27 97 1 Y 1 D GLY -2 ? D GLY 28 98 1 Y 1 D ALA -1 ? D ALA 29 99 1 Y 1 D SER 0 ? D SER 30 100 1 Y 1 D ARG 1 ? D ARG 31 101 1 Y 1 D SER 104 ? D SER 134 102 1 Y 1 D ARG 105 ? D ARG 135 103 1 Y 1 D THR 106 ? D THR 136 104 1 Y 1 D GLU 107 ? D GLU 137 105 1 Y 1 D ALA 108 ? D ALA 138 106 1 Y 1 D LEU 109 ? D LEU 139 107 1 Y 1 D ASN 110 ? D ASN 140 108 1 Y 1 D HIS 111 ? D HIS 141 109 1 Y 1 D HIS 112 ? D HIS 142 110 1 Y 1 D ASN 113 ? D ASN 143 111 1 Y 1 D THR 164 ? D THR 194 112 1 Y 1 D PRO 165 ? D PRO 195 113 1 Y 1 D GLN 166 ? D GLN 196 114 1 Y 1 D ARG 167 ? D ARG 197 115 1 Y 1 D GLY 168 ? D GLY 198 116 1 Y 1 D ALA 190 ? D ALA 220 117 1 Y 1 D GLN 191 ? D GLN 221 118 1 Y 1 D SER 192 ? D SER 222 119 1 Y 1 D THR 193 ? D THR 223 120 1 Y 1 D GLY 194 ? D GLY 224 121 1 Y 1 D GLY 195 ? D GLY 225 122 1 Y 1 D ASP 196 ? D ASP 226 123 1 Y 1 D ASP 197 ? D ASP 227 124 1 Y 1 D ASP 198 ? D ASP 228 125 1 Y 1 D ASP 199 ? D ASP 229 126 1 Y 1 D LYS 200 ? D LYS 230 127 1 Y 1 E MET 6 ? E MET 1 128 1 Y 1 E GLU 7 ? E GLU 2 129 1 Y 1 E ASP 8 ? E ASP 3 130 1 Y 1 E GLU 212 ? E GLU 197 131 1 Y 1 E ASP 213 ? E ASP 198 132 1 Y 1 E THR 214 ? E THR 199 133 1 Y 1 E PHE 215 ? E PHE 200 134 1 Y 1 E PHE 216 ? E PHE 201 135 1 Y 1 E PRO 217 ? E PRO 202 136 1 Y 1 E SER 218 ? E SER 203 137 1 Y 1 E PRO 219 ? E PRO 204 138 1 Y 1 E GLU 220 ? E GLU 205 139 1 Y 1 E SER 221 ? E SER 206 140 1 Y 1 E SER 222 ? E SER 207 141 1 Y 1 F MET 2 ? F MET 1 142 1 Y 1 F ASP 257 ? F ASP 242 143 1 Y 1 G MET 6 ? G MET 1 144 1 Y 1 G GLU 7 ? G GLU 2 145 1 Y 1 G ASP 8 ? G ASP 3 146 1 Y 1 G PRO 211 ? G PRO 196 147 1 Y 1 G GLU 212 ? G GLU 197 148 1 Y 1 G ASP 213 ? G ASP 198 149 1 Y 1 G THR 214 ? G THR 199 150 1 Y 1 G PHE 215 ? G PHE 200 151 1 Y 1 G PHE 216 ? G PHE 201 152 1 Y 1 G PRO 217 ? G PRO 202 153 1 Y 1 G SER 218 ? G SER 203 154 1 Y 1 G PRO 219 ? G PRO 204 155 1 Y 1 G GLU 220 ? G GLU 205 156 1 Y 1 G SER 221 ? G SER 206 157 1 Y 1 G SER 222 ? G SER 207 158 1 Y 1 H MET 2 ? H MET 1 159 1 Y 1 H ASP 257 ? H ASP 242 # _pdbx_audit_support.funding_organization 'National Health and Medical Research Council (Australia)' _pdbx_audit_support.country Australia _pdbx_audit_support.grant_number APP1085875 _pdbx_audit_support.ordinal 1 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 6 N-ACETYL-D-GLUCOSAMINE NAG 7 'CALCIUM ION' CA 8 water HOH #