data_5IF0 # _entry.id 5IF0 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5IF0 WWPDB D_1000218739 # loop_ _pdbx_database_related.db_name _pdbx_database_related.details _pdbx_database_related.db_id _pdbx_database_related.content_type PDB . 5IFA unspecified PDB . 5IES unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5IF0 _pdbx_database_status.recvd_initial_deposition_date 2016-02-25 _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 'Sarkar, A.' 1 'Wilson, I.A.' 2 # _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 US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Science _citation.journal_id_ASTM SCIEAS _citation.journal_id_CSD 0038 _citation.journal_id_ISSN 1095-9203 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 351 _citation.language ? _citation.page_first 1458 _citation.page_last 1463 _citation.title 'HIV-1 broadly neutralizing antibody precursor B cells revealed by germline-targeting immunogen.' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1126/science.aad9195 _citation.pdbx_database_id_PubMed 27013733 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Jardine, J.G.' 1 primary 'Kulp, D.W.' 2 primary 'Havenar-Daughton, C.' 3 primary 'Sarkar, A.' 4 primary 'Briney, B.' 5 primary 'Sok, D.' 6 primary 'Sesterhenn, F.' 7 primary 'Ereno-Orbea, J.' 8 primary 'Kalyuzhniy, O.' 9 primary 'Deresa, I.' 10 primary 'Hu, X.' 11 primary 'Spencer, S.' 12 primary 'Jones, M.' 13 primary 'Georgeson, E.' 14 primary 'Adachi, Y.' 15 primary 'Kubitz, M.' 16 primary 'deCamp, A.C.' 17 primary 'Julien, J.P.' 18 primary 'Wilson, I.A.' 19 primary 'Burton, D.R.' 20 primary 'Crotty, S.' 21 primary 'Schief, W.R.' 22 # _cell.entry_id 5IF0 _cell.length_a 174.192 _cell.length_b 147.578 _cell.length_c 103.685 _cell.angle_alpha 90.00 _cell.angle_beta 126.61 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5IF0 _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 5 # 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 'VRC01cHuGL2 Fab heavy chain' 23614.514 2 ? ? ? ? 2 polymer man 'VRC01c-HuGL2 Fab light chain' 23816.408 2 ? ? ? ? 3 polymer man 'Germline-targeting HIV-1 gp120 engineered outer domain eOD-GT8' 19889.307 2 ? ? ? ? 4 non-polymer syn N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 5 non-polymer nat 'PHOSPHATE ION' 94.971 1 ? ? ? ? 6 water nat water 18.015 76 ? ? ? ? # 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 ;QVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTNYAQKFQGRVTMTRDTSISTAY MELSRLRSDDTAVYYCAKISGSYSFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWN SGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC ; ;QVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTNYAQKFQGRVTMTRDTSISTAY MELSRLRSDDTAVYYCAKISGSYSFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWN SGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC ; A,H ? 2 'polypeptide(L)' no no ;DIVMTQSPDSLAVSLGERATINCKSSQSVLYSSNNKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLT ISSLQAEDVAVYYCQQYYSFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGN SQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLRSPVTKSFNRGEC ; ;DIVMTQSPDSLAVSLGERATINCKSSQSVLYSSNNKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLT ISSLQAEDVAVYYCQQYYSFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGN SQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLRSPVTKSFNRGEC ; B,L ? 3 'polypeptide(L)' no no ;DTITLPCRPAPPPHCSSNITGLILTRQGGYSNANTVIFRPSGGDWRDIARCQIAGTVVSTQLFLNGSLAEEEVVIRSEDW RDNAKSICVQLATSVEIACTGAGHCAISRAKWANTLKQIASKLREQYGAKTIIFKPSSGGDPEFVNHSFNCGGEFFYCAS TQLFASTWFASTGTGTKHHHHHH ; ;DTITLPCRPAPPPHCSSNITGLILTRQGGYSNANTVIFRPSGGDWRDIARCQIAGTVVSTQLFLNGSLAEEEVVIRSEDW RDNAKSICVQLATSVEIACTGAGHCAISRAKWANTLKQIASKLREQYGAKTIIFKPSSGGDPEFVNHSFNCGGEFFYCAS TQLFASTWFASTGTGTKHHHHHH ; G,I ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLN n 1 2 VAL n 1 3 GLN n 1 4 LEU n 1 5 VAL n 1 6 GLN n 1 7 SER n 1 8 GLY n 1 9 ALA n 1 10 GLU n 1 11 VAL n 1 12 LYS n 1 13 LYS n 1 14 PRO n 1 15 GLY n 1 16 ALA n 1 17 SER n 1 18 VAL n 1 19 LYS n 1 20 VAL n 1 21 SER n 1 22 CYS n 1 23 LYS n 1 24 ALA n 1 25 SER n 1 26 GLY n 1 27 TYR n 1 28 THR n 1 29 PHE n 1 30 THR n 1 31 GLY n 1 32 TYR n 1 33 TYR n 1 34 MET n 1 35 HIS n 1 36 TRP n 1 37 VAL n 1 38 ARG n 1 39 GLN n 1 40 ALA n 1 41 PRO n 1 42 GLY n 1 43 GLN n 1 44 GLY n 1 45 LEU n 1 46 GLU n 1 47 TRP n 1 48 MET n 1 49 GLY n 1 50 TRP n 1 51 ILE n 1 52 ASN n 1 53 PRO n 1 54 ASN n 1 55 SER n 1 56 GLY n 1 57 GLY n 1 58 THR n 1 59 ASN n 1 60 TYR n 1 61 ALA n 1 62 GLN n 1 63 LYS n 1 64 PHE n 1 65 GLN n 1 66 GLY n 1 67 ARG n 1 68 VAL n 1 69 THR n 1 70 MET n 1 71 THR n 1 72 ARG n 1 73 ASP n 1 74 THR n 1 75 SER n 1 76 ILE n 1 77 SER n 1 78 THR n 1 79 ALA n 1 80 TYR n 1 81 MET n 1 82 GLU n 1 83 LEU n 1 84 SER n 1 85 ARG n 1 86 LEU n 1 87 ARG n 1 88 SER n 1 89 ASP n 1 90 ASP n 1 91 THR n 1 92 ALA n 1 93 VAL n 1 94 TYR n 1 95 TYR n 1 96 CYS n 1 97 ALA n 1 98 LYS n 1 99 ILE n 1 100 SER n 1 101 GLY n 1 102 SER n 1 103 TYR n 1 104 SER n 1 105 PHE n 1 106 ASP n 1 107 TYR n 1 108 TRP n 1 109 GLY n 1 110 GLN n 1 111 GLY n 1 112 THR n 1 113 LEU n 1 114 VAL n 1 115 THR n 1 116 VAL n 1 117 SER n 1 118 SER n 1 119 ALA n 1 120 SER n 1 121 THR n 1 122 LYS n 1 123 GLY n 1 124 PRO n 1 125 SER n 1 126 VAL n 1 127 PHE n 1 128 PRO n 1 129 LEU n 1 130 ALA n 1 131 PRO n 1 132 SER n 1 133 SER n 1 134 LYS n 1 135 SER n 1 136 THR n 1 137 SER n 1 138 GLY n 1 139 GLY n 1 140 THR n 1 141 ALA n 1 142 ALA n 1 143 LEU n 1 144 GLY n 1 145 CYS n 1 146 LEU n 1 147 VAL n 1 148 LYS n 1 149 ASP n 1 150 TYR n 1 151 PHE n 1 152 PRO n 1 153 GLU n 1 154 PRO n 1 155 VAL n 1 156 THR n 1 157 VAL n 1 158 SER n 1 159 TRP n 1 160 ASN n 1 161 SER n 1 162 GLY n 1 163 ALA n 1 164 LEU n 1 165 THR n 1 166 SER n 1 167 GLY n 1 168 VAL n 1 169 HIS n 1 170 THR n 1 171 PHE n 1 172 PRO n 1 173 ALA n 1 174 VAL n 1 175 LEU n 1 176 GLN n 1 177 SER n 1 178 SER n 1 179 GLY n 1 180 LEU n 1 181 TYR n 1 182 SER n 1 183 LEU n 1 184 SER n 1 185 SER n 1 186 VAL n 1 187 VAL n 1 188 THR n 1 189 VAL n 1 190 PRO n 1 191 SER n 1 192 SER n 1 193 SER n 1 194 LEU n 1 195 GLY n 1 196 THR n 1 197 GLN n 1 198 THR n 1 199 TYR n 1 200 ILE n 1 201 CYS n 1 202 ASN n 1 203 VAL n 1 204 ASN n 1 205 HIS n 1 206 LYS n 1 207 PRO n 1 208 SER n 1 209 ASN n 1 210 THR n 1 211 LYS n 1 212 VAL n 1 213 ASP n 1 214 LYS n 1 215 LYS n 1 216 VAL n 1 217 GLU n 1 218 PRO n 1 219 LYS n 1 220 SER n 1 221 CYS n 2 1 ASP n 2 2 ILE n 2 3 VAL n 2 4 MET n 2 5 THR n 2 6 GLN n 2 7 SER n 2 8 PRO n 2 9 ASP n 2 10 SER n 2 11 LEU n 2 12 ALA n 2 13 VAL n 2 14 SER n 2 15 LEU n 2 16 GLY n 2 17 GLU n 2 18 ARG n 2 19 ALA n 2 20 THR n 2 21 ILE n 2 22 ASN n 2 23 CYS n 2 24 LYS n 2 25 SER n 2 26 SER n 2 27 GLN n 2 28 SER n 2 29 VAL n 2 30 LEU n 2 31 TYR n 2 32 SER n 2 33 SER n 2 34 ASN n 2 35 ASN n 2 36 LYS n 2 37 ASN n 2 38 TYR n 2 39 LEU n 2 40 ALA n 2 41 TRP n 2 42 TYR n 2 43 GLN n 2 44 GLN n 2 45 LYS n 2 46 PRO n 2 47 GLY n 2 48 GLN n 2 49 PRO n 2 50 PRO n 2 51 LYS n 2 52 LEU n 2 53 LEU n 2 54 ILE n 2 55 TYR n 2 56 TRP n 2 57 ALA n 2 58 SER n 2 59 THR n 2 60 ARG n 2 61 GLU n 2 62 SER n 2 63 GLY n 2 64 VAL n 2 65 PRO n 2 66 ASP n 2 67 ARG n 2 68 PHE n 2 69 SER n 2 70 GLY n 2 71 SER n 2 72 GLY n 2 73 SER n 2 74 GLY n 2 75 THR n 2 76 ASP n 2 77 PHE n 2 78 THR n 2 79 LEU n 2 80 THR n 2 81 ILE n 2 82 SER n 2 83 SER n 2 84 LEU n 2 85 GLN n 2 86 ALA n 2 87 GLU n 2 88 ASP n 2 89 VAL n 2 90 ALA n 2 91 VAL n 2 92 TYR n 2 93 TYR n 2 94 CYS n 2 95 GLN n 2 96 GLN n 2 97 TYR n 2 98 TYR n 2 99 SER n 2 100 PHE n 2 101 GLY n 2 102 GLY n 2 103 GLY n 2 104 THR n 2 105 LYS n 2 106 VAL n 2 107 GLU n 2 108 ILE n 2 109 LYS n 2 110 ARG n 2 111 THR n 2 112 VAL n 2 113 ALA n 2 114 ALA n 2 115 PRO n 2 116 SER n 2 117 VAL n 2 118 PHE n 2 119 ILE n 2 120 PHE n 2 121 PRO n 2 122 PRO n 2 123 SER n 2 124 ASP n 2 125 GLU n 2 126 GLN n 2 127 LEU n 2 128 LYS n 2 129 SER n 2 130 GLY n 2 131 THR n 2 132 ALA n 2 133 SER n 2 134 VAL n 2 135 VAL n 2 136 CYS n 2 137 LEU n 2 138 LEU n 2 139 ASN n 2 140 ASN n 2 141 PHE n 2 142 TYR n 2 143 PRO n 2 144 ARG n 2 145 GLU n 2 146 ALA n 2 147 LYS n 2 148 VAL n 2 149 GLN n 2 150 TRP n 2 151 LYS n 2 152 VAL n 2 153 ASP n 2 154 ASN n 2 155 ALA n 2 156 LEU n 2 157 GLN n 2 158 SER n 2 159 GLY n 2 160 ASN n 2 161 SER n 2 162 GLN n 2 163 GLU n 2 164 SER n 2 165 VAL n 2 166 THR n 2 167 GLU n 2 168 GLN n 2 169 ASP n 2 170 SER n 2 171 LYS n 2 172 ASP n 2 173 SER n 2 174 THR n 2 175 TYR n 2 176 SER n 2 177 LEU n 2 178 SER n 2 179 SER n 2 180 THR n 2 181 LEU n 2 182 THR n 2 183 LEU n 2 184 SER n 2 185 LYS n 2 186 ALA n 2 187 ASP n 2 188 TYR n 2 189 GLU n 2 190 LYS n 2 191 HIS n 2 192 LYS n 2 193 VAL n 2 194 TYR n 2 195 ALA n 2 196 CYS n 2 197 GLU n 2 198 VAL n 2 199 THR n 2 200 HIS n 2 201 GLN n 2 202 GLY n 2 203 LEU n 2 204 ARG n 2 205 SER n 2 206 PRO n 2 207 VAL n 2 208 THR n 2 209 LYS n 2 210 SER n 2 211 PHE n 2 212 ASN n 2 213 ARG n 2 214 GLY n 2 215 GLU n 2 216 CYS n 3 1 ASP n 3 2 THR n 3 3 ILE n 3 4 THR n 3 5 LEU n 3 6 PRO n 3 7 CYS n 3 8 ARG n 3 9 PRO n 3 10 ALA n 3 11 PRO n 3 12 PRO n 3 13 PRO n 3 14 HIS n 3 15 CYS n 3 16 SER n 3 17 SER n 3 18 ASN n 3 19 ILE n 3 20 THR n 3 21 GLY n 3 22 LEU n 3 23 ILE n 3 24 LEU n 3 25 THR n 3 26 ARG n 3 27 GLN n 3 28 GLY n 3 29 GLY n 3 30 TYR n 3 31 SER n 3 32 ASN n 3 33 ALA n 3 34 ASN n 3 35 THR n 3 36 VAL n 3 37 ILE n 3 38 PHE n 3 39 ARG n 3 40 PRO n 3 41 SER n 3 42 GLY n 3 43 GLY n 3 44 ASP n 3 45 TRP n 3 46 ARG n 3 47 ASP n 3 48 ILE n 3 49 ALA n 3 50 ARG n 3 51 CYS n 3 52 GLN n 3 53 ILE n 3 54 ALA n 3 55 GLY n 3 56 THR n 3 57 VAL n 3 58 VAL n 3 59 SER n 3 60 THR n 3 61 GLN n 3 62 LEU n 3 63 PHE n 3 64 LEU n 3 65 ASN n 3 66 GLY n 3 67 SER n 3 68 LEU n 3 69 ALA n 3 70 GLU n 3 71 GLU n 3 72 GLU n 3 73 VAL n 3 74 VAL n 3 75 ILE n 3 76 ARG n 3 77 SER n 3 78 GLU n 3 79 ASP n 3 80 TRP n 3 81 ARG n 3 82 ASP n 3 83 ASN n 3 84 ALA n 3 85 LYS n 3 86 SER n 3 87 ILE n 3 88 CYS n 3 89 VAL n 3 90 GLN n 3 91 LEU n 3 92 ALA n 3 93 THR n 3 94 SER n 3 95 VAL n 3 96 GLU n 3 97 ILE n 3 98 ALA n 3 99 CYS n 3 100 THR n 3 101 GLY n 3 102 ALA n 3 103 GLY n 3 104 HIS n 3 105 CYS n 3 106 ALA n 3 107 ILE n 3 108 SER n 3 109 ARG n 3 110 ALA n 3 111 LYS n 3 112 TRP n 3 113 ALA n 3 114 ASN n 3 115 THR n 3 116 LEU n 3 117 LYS n 3 118 GLN n 3 119 ILE n 3 120 ALA n 3 121 SER n 3 122 LYS n 3 123 LEU n 3 124 ARG n 3 125 GLU n 3 126 GLN n 3 127 TYR n 3 128 GLY n 3 129 ALA n 3 130 LYS n 3 131 THR n 3 132 ILE n 3 133 ILE n 3 134 PHE n 3 135 LYS n 3 136 PRO n 3 137 SER n 3 138 SER n 3 139 GLY n 3 140 GLY n 3 141 ASP n 3 142 PRO n 3 143 GLU n 3 144 PHE n 3 145 VAL n 3 146 ASN n 3 147 HIS n 3 148 SER n 3 149 PHE n 3 150 ASN n 3 151 CYS n 3 152 GLY n 3 153 GLY n 3 154 GLU n 3 155 PHE n 3 156 PHE n 3 157 TYR n 3 158 CYS n 3 159 ALA n 3 160 SER n 3 161 THR n 3 162 GLN n 3 163 LEU n 3 164 PHE n 3 165 ALA n 3 166 SER n 3 167 THR n 3 168 TRP n 3 169 PHE n 3 170 ALA n 3 171 SER n 3 172 THR n 3 173 GLY n 3 174 THR n 3 175 GLY n 3 176 THR n 3 177 LYS n 3 178 HIS n 3 179 HIS n 3 180 HIS n 3 181 HIS n 3 182 HIS n 3 183 HIS 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' 1 221 ? ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'HEK 293 Freestyle' ? ? ? ? ? plasmid ? ? ? pFUSEss-CHIg-hG1 ? ? 2 1 sample 'Biological sequence' 1 216 ? ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'HEK 293 Freestyle' ? ? ? ? ? plasmid ? ? ? pFUSEss-CHIg-hG1 ? ? 3 1 sample 'Biological sequence' 1 183 ? ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'HEK 293S' ? ? ? ? ? plasmid ? ? ? pHLsec ? ? # 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 PDB 5IF0 5IF0 ? 1 ? 1 2 PDB 5IF0 5IF0 ? 2 ? 1 3 PDB 5IF0 5IF0 ? 3 ? 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 5IF0 A 1 ? 221 ? 5IF0 1 ? 216 ? 1 216 2 2 5IF0 B 1 ? 216 ? 5IF0 1 ? 214 ? 1 214 3 3 5IF0 G 1 ? 183 ? 5IF0 1 ? 183 ? 1 183 4 1 5IF0 H 1 ? 221 ? 5IF0 1 ? 216 ? 1 216 5 3 5IF0 I 1 ? 183 ? 5IF0 1 ? 183 ? 1 183 6 2 5IF0 L 1 ? 216 ? 5IF0 1 ? 214 ? 1 214 # 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 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 PO4 non-polymer . 'PHOSPHATE ION' ? 'O4 P -3' 94.971 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 5IF0 _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 3.97 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 69.04 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH ? _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 '0.2 M potassium dihydrogen phosphate, 20% (w/v) PEG3350 and cryo-protected with 25% glycerol' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 293 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS 6M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2015-05-14 # _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 0.9795 _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 'SSRL BEAMLINE BL12-2' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.9795 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BL12-2 _diffrn_source.pdbx_synchrotron_site SSRL # _reflns.B_iso_Wilson_estimate 47.6 _reflns.entry_id 5IF0 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.408 _reflns.d_resolution_low 44.444 _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 73979 _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 95.2 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 2.8 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.0102 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 9.2 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half 0.849 _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.4082 _reflns_shell.d_res_low 2.4399 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 1.1 _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 94.2 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.778 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 2.5 _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.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5IF0 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 73411 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.36 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 44.444 _refine.ls_d_res_high 2.440 _refine.ls_percent_reflns_obs 94.00 _refine.ls_R_factor_obs 0.1929 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1908 _refine.ls_R_factor_R_free 0.2319 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.01 _refine.ls_number_reflns_R_free 3676 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.details ? _refine.pdbx_starting_model 4JPK _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.34 _refine.pdbx_overall_phase_error 25.84 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 8944 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 61 _refine_hist.number_atoms_solvent 76 _refine_hist.number_atoms_total 9081 _refine_hist.d_res_high 2.440 _refine_hist.d_res_low 44.444 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function f_bond_d 0.005 ? ? 9324 'X-RAY DIFFRACTION' ? f_angle_d 0.745 ? ? 12719 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 13.964 ? ? 5615 'X-RAY DIFFRACTION' ? f_chiral_restr 0.049 ? ? 1435 'X-RAY DIFFRACTION' ? f_plane_restr 0.005 ? ? 1618 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.number_reflns_obs 'X-RAY DIFFRACTION' . 2.4400 2.4721 1898 0.3385 66.00 0.3781 . . 94 . . . . 'X-RAY DIFFRACTION' . 2.4721 2.5060 2653 0.3084 94.00 0.3685 . . 141 . . . . 'X-RAY DIFFRACTION' . 2.5060 2.5418 2725 0.2903 95.00 0.3524 . . 151 . . . . 'X-RAY DIFFRACTION' . 2.5418 2.5797 2686 0.2785 96.00 0.3200 . . 139 . . . . 'X-RAY DIFFRACTION' . 2.5797 2.6200 2692 0.2767 96.00 0.3193 . . 139 . . . . 'X-RAY DIFFRACTION' . 2.6200 2.6630 2707 0.2668 95.00 0.2984 . . 160 . . . . 'X-RAY DIFFRACTION' . 2.6630 2.7089 2714 0.2533 95.00 0.3127 . . 130 . . . . 'X-RAY DIFFRACTION' . 2.7089 2.7581 2611 0.2692 93.00 0.3284 . . 131 . . . . 'X-RAY DIFFRACTION' . 2.7581 2.8112 2508 0.2547 87.00 0.3363 . . 121 . . . . 'X-RAY DIFFRACTION' . 2.8112 2.8685 2616 0.2648 92.00 0.3292 . . 141 . . . . 'X-RAY DIFFRACTION' . 2.8685 2.9309 2775 0.2543 98.00 0.2527 . . 140 . . . . 'X-RAY DIFFRACTION' . 2.9309 2.9991 2820 0.2228 98.00 0.2612 . . 152 . . . . 'X-RAY DIFFRACTION' . 2.9991 3.0741 2736 0.2228 98.00 0.2459 . . 149 . . . . 'X-RAY DIFFRACTION' . 3.0741 3.1571 2798 0.2042 98.00 0.2109 . . 146 . . . . 'X-RAY DIFFRACTION' . 3.1571 3.2500 2788 0.2117 97.00 0.2384 . . 129 . . . . 'X-RAY DIFFRACTION' . 3.2500 3.3549 2735 0.2106 96.00 0.2663 . . 159 . . . . 'X-RAY DIFFRACTION' . 3.3549 3.4747 2736 0.2045 96.00 0.2840 . . 148 . . . . 'X-RAY DIFFRACTION' . 3.4747 3.6138 2627 0.1954 93.00 0.2722 . . 129 . . . . 'X-RAY DIFFRACTION' . 3.6138 3.7782 2574 0.1850 89.00 0.2629 . . 134 . . . . 'X-RAY DIFFRACTION' . 3.7782 3.9773 2763 0.1612 98.00 0.1856 . . 155 . . . . 'X-RAY DIFFRACTION' . 3.9773 4.2263 2805 0.1469 97.00 0.2223 . . 135 . . . . 'X-RAY DIFFRACTION' . 4.2263 4.5523 2771 0.1344 97.00 0.1599 . . 152 . . . . 'X-RAY DIFFRACTION' . 4.5523 5.0099 2740 0.1318 97.00 0.1759 . . 150 . . . . 'X-RAY DIFFRACTION' . 5.0099 5.7335 2661 0.1489 93.00 0.1516 . . 142 . . . . 'X-RAY DIFFRACTION' . 5.7335 7.2186 2823 0.1843 99.00 0.2395 . . 159 . . . . 'X-RAY DIFFRACTION' . 7.2186 44.4533 2773 0.1758 95.00 0.1923 . . 150 . . . . # _struct.entry_id 5IF0 _struct.title ;Crystal structure of VRC01c-HuGL2 Fab from an HIV-1 naive donor in complex with with a germline-targeting gp120 engineered outer domain eOD-GT8 at 2.44 A ; _struct.pdbx_descriptor 'VRC01cHuGL2 Fab heavy chain, VRC01c-HuGL2 Fab light chain, Germline-targeting HIV-1 gp120 engineered outer domain eOD-GT8' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5IF0 _struct_keywords.text ;HIV-1 gp120, engineered outer domain (eOD), germline targeting, CD4 binding site, VRC01-class naive human germline antibody, immune system, viral-protein complex, IMMUNE SYSTEM-VIRAL PROTEIN complex ; _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM/VIRAL PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 1 ? E N N 3 ? F N N 2 ? G N N 4 ? H N N 4 ? I N N 4 ? J N N 4 ? K N N 5 ? L N N 6 ? M N N 6 ? N N N 6 ? O N N 6 ? P N N 6 ? Q N N 6 ? # 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 THR A 28 ? TYR A 32 ? THR A 28 TYR A 32 5 ? 5 HELX_P HELX_P2 AA2 GLN A 62 ? GLN A 65 ? GLN A 61 GLN A 64 5 ? 4 HELX_P HELX_P3 AA3 ARG A 87 ? THR A 91 ? ARG A 83 THR A 87 5 ? 5 HELX_P HELX_P4 AA4 SER A 132 ? LYS A 134 ? SER A 127 LYS A 129 5 ? 3 HELX_P HELX_P5 AA5 SER A 161 ? ALA A 163 ? SER A 156 ALA A 158 5 ? 3 HELX_P HELX_P6 AA6 GLN B 85 ? VAL B 89 ? GLN B 79 VAL B 83 5 ? 5 HELX_P HELX_P7 AA7 SER B 123 ? SER B 129 ? SER B 121 SER B 127 1 ? 7 HELX_P HELX_P8 AA8 LYS B 185 ? LYS B 190 ? LYS B 183 LYS B 188 1 ? 6 HELX_P HELX_P9 AA9 PRO C 12 ? SER C 16 ? PRO G 12 SER G 16 5 ? 5 HELX_P HELX_P10 AB1 ASP C 44 ? GLN C 52 ? ASP G 44 GLN G 52 1 ? 9 HELX_P HELX_P11 AB2 ARG C 109 ? GLY C 128 ? ARG G 109 GLY G 128 1 ? 20 HELX_P HELX_P12 AB3 ASP C 141 ? ASN C 146 ? ASP G 141 ASN G 146 1 ? 6 HELX_P HELX_P13 AB4 SER C 160 ? PHE C 164 ? SER G 160 PHE G 164 5 ? 5 HELX_P HELX_P14 AB5 THR D 28 ? TYR D 32 ? THR H 28 TYR H 32 5 ? 5 HELX_P HELX_P15 AB6 GLN D 62 ? GLN D 65 ? GLN H 61 GLN H 64 5 ? 4 HELX_P HELX_P16 AB7 THR D 74 ? ILE D 76 ? THR H 73 ILE H 75 5 ? 3 HELX_P HELX_P17 AB8 ARG D 87 ? THR D 91 ? ARG H 83 THR H 87 5 ? 5 HELX_P HELX_P18 AB9 SER D 161 ? ALA D 163 ? SER H 156 ALA H 158 5 ? 3 HELX_P HELX_P19 AC1 SER D 192 ? LEU D 194 ? SER H 187 LEU H 189 5 ? 3 HELX_P HELX_P20 AC2 LYS D 206 ? ASN D 209 ? LYS H 201 ASN H 204 5 ? 4 HELX_P HELX_P21 AC3 PRO E 12 ? SER E 16 ? PRO I 12 SER I 16 5 ? 5 HELX_P HELX_P22 AC4 ASP E 44 ? ARG E 50 ? ASP I 44 ARG I 50 1 ? 7 HELX_P HELX_P23 AC5 ARG E 109 ? GLY E 128 ? ARG I 109 GLY I 128 1 ? 20 HELX_P HELX_P24 AC6 ASP E 141 ? ASN E 146 ? ASP I 141 ASN I 146 1 ? 6 HELX_P HELX_P25 AC7 SER E 160 ? PHE E 164 ? SER I 160 PHE I 164 5 ? 5 HELX_P HELX_P26 AC8 GLN F 85 ? VAL F 89 ? GLN L 79 VAL L 83 5 ? 5 HELX_P HELX_P27 AC9 SER F 123 ? LYS F 128 ? SER L 121 LYS L 126 1 ? 6 HELX_P HELX_P28 AD1 LYS F 185 ? LYS F 190 ? LYS L 183 LYS L 188 1 ? 6 # _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 22 SG ? ? ? 1_555 A CYS 96 SG ? ? A CYS 22 A CYS 92 1_555 ? ? ? ? ? ? ? 2.041 ? disulf2 disulf ? ? A CYS 145 SG ? ? ? 1_555 A CYS 201 SG ? ? A CYS 140 A CYS 196 1_555 ? ? ? ? ? ? ? 2.033 ? disulf3 disulf ? ? B CYS 23 SG ? ? ? 1_555 B CYS 94 SG ? ? B CYS 23 B CYS 88 1_555 ? ? ? ? ? ? ? 2.075 ? disulf4 disulf ? ? B CYS 136 SG ? ? ? 1_555 B CYS 196 SG A ? B CYS 134 B CYS 194 1_555 ? ? ? ? ? ? ? 2.041 ? disulf5 disulf ? ? B CYS 136 SG ? ? ? 1_555 B CYS 196 SG B ? B CYS 134 B CYS 194 1_555 ? ? ? ? ? ? ? 2.040 ? disulf6 disulf ? ? C CYS 7 SG ? ? ? 1_555 C CYS 158 SG ? ? G CYS 7 G CYS 158 1_555 ? ? ? ? ? ? ? 2.043 ? disulf7 disulf ? ? C CYS 15 SG ? ? ? 1_555 C CYS 151 SG ? ? G CYS 15 G CYS 151 1_555 ? ? ? ? ? ? ? 2.045 ? disulf8 disulf ? ? C CYS 51 SG ? ? ? 1_555 C CYS 88 SG ? ? G CYS 51 G CYS 88 1_555 ? ? ? ? ? ? ? 2.040 ? disulf9 disulf ? ? C CYS 99 SG ? ? ? 1_555 C CYS 105 SG ? ? G CYS 99 G CYS 105 1_555 ? ? ? ? ? ? ? 2.054 ? disulf10 disulf ? ? D CYS 22 SG ? ? ? 1_555 D CYS 96 SG ? ? H CYS 22 H CYS 92 1_555 ? ? ? ? ? ? ? 2.044 ? disulf11 disulf ? ? D CYS 145 SG A ? ? 1_555 D CYS 201 SG A ? H CYS 140 H CYS 196 1_555 ? ? ? ? ? ? ? 2.034 ? disulf12 disulf ? ? D CYS 145 SG B ? ? 1_555 D CYS 201 SG B ? H CYS 140 H CYS 196 1_555 ? ? ? ? ? ? ? 2.042 ? disulf13 disulf ? ? E CYS 7 SG ? ? ? 1_555 E CYS 158 SG ? ? I CYS 7 I CYS 158 1_555 ? ? ? ? ? ? ? 2.033 ? disulf14 disulf ? ? E CYS 15 SG ? ? ? 1_555 E CYS 151 SG ? ? I CYS 15 I CYS 151 1_555 ? ? ? ? ? ? ? 2.046 ? disulf15 disulf ? ? E CYS 51 SG ? ? ? 1_555 E CYS 88 SG ? ? I CYS 51 I CYS 88 1_555 ? ? ? ? ? ? ? 2.039 ? disulf16 disulf ? ? F CYS 23 SG ? ? ? 1_555 F CYS 94 SG ? ? L CYS 23 L CYS 88 1_555 ? ? ? ? ? ? ? 2.070 ? disulf17 disulf ? ? F CYS 136 SG ? ? ? 1_555 F CYS 196 SG B ? L CYS 134 L CYS 194 1_555 ? ? ? ? ? ? ? 2.050 ? disulf18 disulf ? ? F CYS 136 SG ? ? ? 1_555 F CYS 196 SG A ? L CYS 134 L CYS 194 1_555 ? ? ? ? ? ? ? 2.032 ? covale1 covale one ? C ASN 18 ND2 ? ? ? 1_555 G NAG . C1 ? ? G ASN 18 G NAG 1001 1_555 ? ? ? ? ? ? ? 1.434 ? covale2 covale one ? C ASN 65 ND2 ? ? ? 1_555 H NAG . C1 ? ? G ASN 65 G NAG 1002 1_555 ? ? ? ? ? ? ? 1.432 ? covale3 covale one ? E ASN 18 ND2 ? ? ? 1_555 I NAG . C1 ? ? I ASN 18 I NAG 201 1_555 ? ? ? ? ? ? ? 1.441 ? covale4 covale one ? E ASN 65 ND2 ? ? ? 1_555 J NAG . C1 ? ? I ASN 65 I NAG 202 1_555 ? ? ? ? ? ? ? 1.431 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 GLY 138 A . ? GLY 133 A GLY 139 A ? GLY 134 A 1 0.23 2 PHE 151 A . ? PHE 146 A PRO 152 A ? PRO 147 A 1 -4.66 3 GLU 153 A . ? GLU 148 A PRO 154 A ? PRO 149 A 1 -6.13 4 SER 7 B . ? SER 7 B PRO 8 B ? PRO 8 B 1 -3.51 5 TYR 142 B . ? TYR 140 B PRO 143 B ? PRO 141 B 1 -2.31 6 ARG 8 C . ? ARG 8 G PRO 9 C ? PRO 9 G 1 -3.19 7 PHE 151 D . ? PHE 146 H PRO 152 D ? PRO 147 H 1 -6.40 8 GLU 153 D . ? GLU 148 H PRO 154 D ? PRO 149 H 1 -5.62 9 ARG 8 E . ? ARG 8 I PRO 9 E ? PRO 9 I 1 -4.14 10 SER 7 F . ? SER 7 L PRO 8 F ? PRO 8 L 1 -4.61 11 TYR 142 F . ? TYR 140 L PRO 143 F ? PRO 141 L 1 -3.37 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 4 ? AA2 ? 6 ? AA3 ? 4 ? AA4 ? 4 ? AA5 ? 4 ? AA6 ? 3 ? AA7 ? 4 ? AA8 ? 6 ? AA9 ? 4 ? AB1 ? 4 ? AB2 ? 4 ? AB3 ? 7 ? AB4 ? 6 ? AB5 ? 4 ? AB6 ? 6 ? AB7 ? 4 ? AB8 ? 4 ? AB9 ? 4 ? AC1 ? 3 ? AC2 ? 7 ? AC3 ? 6 ? AC4 ? 4 ? AC5 ? 6 ? AC6 ? 4 ? AC7 ? 4 ? AC8 ? 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 AA2 1 2 ? parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? anti-parallel AA2 5 6 ? anti-parallel AA3 1 2 ? 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 AA7 1 2 ? anti-parallel AA7 2 3 ? anti-parallel AA7 3 4 ? anti-parallel AA8 1 2 ? parallel AA8 2 3 ? anti-parallel AA8 3 4 ? anti-parallel AA8 4 5 ? anti-parallel AA8 5 6 ? anti-parallel AA9 1 2 ? parallel AA9 2 3 ? anti-parallel AA9 3 4 ? anti-parallel AB1 1 2 ? anti-parallel AB1 2 3 ? anti-parallel AB1 3 4 ? anti-parallel AB2 1 2 ? anti-parallel AB2 2 3 ? anti-parallel AB2 3 4 ? anti-parallel AB3 1 2 ? anti-parallel AB3 2 3 ? anti-parallel AB3 3 4 ? anti-parallel AB3 4 5 ? anti-parallel AB3 5 6 ? anti-parallel AB3 6 7 ? anti-parallel AB4 1 2 ? anti-parallel AB4 2 3 ? anti-parallel AB4 3 4 ? anti-parallel AB4 4 5 ? parallel AB4 5 6 ? anti-parallel AB5 1 2 ? anti-parallel AB5 2 3 ? anti-parallel AB5 3 4 ? anti-parallel AB6 1 2 ? parallel AB6 2 3 ? anti-parallel AB6 3 4 ? anti-parallel AB6 4 5 ? anti-parallel AB6 5 6 ? anti-parallel AB7 1 2 ? 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 AB9 1 2 ? anti-parallel AB9 2 3 ? anti-parallel AB9 3 4 ? anti-parallel AC1 1 2 ? anti-parallel AC1 2 3 ? anti-parallel AC2 1 2 ? anti-parallel AC2 2 3 ? anti-parallel AC2 3 4 ? anti-parallel AC2 4 5 ? anti-parallel AC2 5 6 ? anti-parallel AC2 6 7 ? anti-parallel AC3 1 2 ? anti-parallel AC3 2 3 ? anti-parallel AC3 3 4 ? anti-parallel AC3 4 5 ? parallel AC3 5 6 ? anti-parallel AC4 1 2 ? anti-parallel AC4 2 3 ? anti-parallel AC4 3 4 ? anti-parallel AC5 1 2 ? parallel AC5 2 3 ? anti-parallel AC5 3 4 ? anti-parallel AC5 4 5 ? anti-parallel AC5 5 6 ? anti-parallel AC6 1 2 ? parallel AC6 2 3 ? anti-parallel AC6 3 4 ? anti-parallel AC7 1 2 ? anti-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 # 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 GLN A 3 ? GLN A 6 ? GLN A 3 GLN A 6 AA1 2 SER A 17 ? SER A 25 ? SER A 17 SER A 25 AA1 3 THR A 78 ? SER A 84 A THR A 77 SER A 82 AA1 4 VAL A 68 ? ASP A 73 ? VAL A 67 ASP A 72 AA2 1 GLU A 10 ? LYS A 12 ? GLU A 10 LYS A 12 AA2 2 THR A 112 ? VAL A 116 ? THR A 107 VAL A 111 AA2 3 ALA A 92 ? ILE A 99 ? ALA A 88 ILE A 95 AA2 4 MET A 34 ? GLN A 39 ? MET A 34 GLN A 39 AA2 5 GLU A 46 ? ILE A 51 ? GLU A 46 ILE A 51 AA2 6 THR A 58 ? TYR A 60 ? THR A 57 TYR A 59 AA3 1 GLU A 10 ? LYS A 12 ? GLU A 10 LYS A 12 AA3 2 THR A 112 ? VAL A 116 ? THR A 107 VAL A 111 AA3 3 ALA A 92 ? ILE A 99 ? ALA A 88 ILE A 95 AA3 4 PHE A 105 A TRP A 108 ? PHE A 100 TRP A 103 AA4 1 SER A 125 ? LEU A 129 ? SER A 120 LEU A 124 AA4 2 THR A 140 ? TYR A 150 ? THR A 135 TYR A 145 AA4 3 TYR A 181 ? PRO A 190 ? TYR A 176 PRO A 185 AA4 4 VAL A 168 ? THR A 170 ? VAL A 163 THR A 165 AA5 1 THR A 136 ? SER A 137 ? THR A 131 SER A 132 AA5 2 THR A 140 ? TYR A 150 ? THR A 135 TYR A 145 AA5 3 TYR A 181 ? PRO A 190 ? TYR A 176 PRO A 185 AA5 4 VAL A 174 ? LEU A 175 ? VAL A 169 LEU A 170 AA6 1 THR A 156 ? TRP A 159 ? THR A 151 TRP A 154 AA6 2 TYR A 199 ? HIS A 205 ? TYR A 194 HIS A 200 AA6 3 THR A 210 ? VAL A 216 ? THR A 205 VAL A 211 AA7 1 MET B 4 ? SER B 7 ? MET B 4 SER B 7 AA7 2 ALA B 19 ? SER B 25 ? ALA B 19 SER B 25 AA7 3 ASP B 76 ? ILE B 81 ? ASP B 70 ILE B 75 AA7 4 PHE B 68 ? SER B 73 ? PHE B 62 SER B 67 AA8 1 SER B 10 ? VAL B 13 ? SER B 10 VAL B 13 AA8 2 THR B 104 ? ILE B 108 ? THR B 102 ILE B 106 AA8 3 ALA B 90 ? GLN B 96 ? ALA B 84 GLN B 90 AA8 4 LEU B 39 ? GLN B 44 ? LEU B 33 GLN B 38 AA8 5 LYS B 51 ? TYR B 55 ? LYS B 45 TYR B 49 AA8 6 THR B 59 ? ARG B 60 ? THR B 53 ARG B 54 AA9 1 SER B 10 ? VAL B 13 ? SER B 10 VAL B 13 AA9 2 THR B 104 ? ILE B 108 ? THR B 102 ILE B 106 AA9 3 ALA B 90 ? GLN B 96 ? ALA B 84 GLN B 90 AA9 4 SER B 99 ? PHE B 100 ? SER B 97 PHE B 98 AB1 1 SER B 116 ? PHE B 120 ? SER B 114 PHE B 118 AB1 2 THR B 131 ? PHE B 141 ? THR B 129 PHE B 139 AB1 3 TYR B 175 ? SER B 184 ? TYR B 173 SER B 182 AB1 4 SER B 161 ? VAL B 165 ? SER B 159 VAL B 163 AB2 1 ALA B 155 ? LEU B 156 ? ALA B 153 LEU B 154 AB2 2 LYS B 147 ? VAL B 152 ? LYS B 145 VAL B 150 AB2 3 VAL B 193 ? THR B 199 ? VAL B 191 THR B 197 AB2 4 VAL B 207 ? ASN B 212 ? VAL B 205 ASN B 210 AB3 1 LEU C 62 ? LEU C 64 ? LEU G 62 LEU G 64 AB3 2 SER C 17 ? ARG C 26 ? SER G 17 ARG G 26 AB3 3 ILE C 87 ? CYS C 99 ? ILE G 87 CYS G 99 AB3 4 HIS C 104 ? SER C 108 ? HIS G 104 SER G 108 AB3 5 THR C 2 ? ARG C 8 ? THR G 2 ARG G 8 AB3 6 GLU C 154 ? CYS C 158 ? GLU G 154 CYS G 158 AB3 7 HIS C 147 ? CYS C 151 ? HIS G 147 CYS G 151 AB4 1 VAL C 74 ? SER C 77 ? VAL G 74 SER G 77 AB4 2 ILE C 87 ? CYS C 99 ? ILE G 87 CYS G 99 AB4 3 SER C 17 ? ARG C 26 ? SER G 17 ARG G 26 AB4 4 THR C 35 ? PRO C 40 ? THR G 35 PRO G 40 AB4 5 THR C 131 ? PHE C 134 ? THR G 131 PHE G 134 AB4 6 SER C 166 ? TRP C 168 ? SER G 166 TRP G 168 AB5 1 GLN D 3 ? GLN D 6 ? GLN H 3 GLN H 6 AB5 2 VAL D 18 ? SER D 25 ? VAL H 18 SER H 25 AB5 3 THR D 78 ? LEU D 83 ? THR H 77 LEU H 82 AB5 4 VAL D 68 ? ASP D 73 ? VAL H 67 ASP H 72 AB6 1 GLU D 10 ? LYS D 12 ? GLU H 10 LYS H 12 AB6 2 THR D 112 ? VAL D 116 ? THR H 107 VAL H 111 AB6 3 ALA D 92 ? ILE D 99 ? ALA H 88 ILE H 95 AB6 4 MET D 34 ? GLN D 39 ? MET H 34 GLN H 39 AB6 5 GLU D 46 ? ILE D 51 ? GLU H 46 ILE H 51 AB6 6 THR D 58 ? TYR D 60 ? THR H 57 TYR H 59 AB7 1 GLU D 10 ? LYS D 12 ? GLU H 10 LYS H 12 AB7 2 THR D 112 ? VAL D 116 ? THR H 107 VAL H 111 AB7 3 ALA D 92 ? ILE D 99 ? ALA H 88 ILE H 95 AB7 4 PHE D 105 A TRP D 108 ? PHE H 100 TRP H 103 AB8 1 SER D 125 ? LEU D 129 ? SER H 120 LEU H 124 AB8 2 THR D 140 ? TYR D 150 ? THR H 135 TYR H 145 AB8 3 TYR D 181 ? PRO D 190 ? TYR H 176 PRO H 185 AB8 4 VAL D 168 ? THR D 170 ? VAL H 163 THR H 165 AB9 1 SER D 125 ? LEU D 129 ? SER H 120 LEU H 124 AB9 2 THR D 140 ? TYR D 150 ? THR H 135 TYR H 145 AB9 3 TYR D 181 ? PRO D 190 ? TYR H 176 PRO H 185 AB9 4 VAL D 174 ? LEU D 175 ? VAL H 169 LEU H 170 AC1 1 THR D 156 ? TRP D 159 ? THR H 151 TRP H 154 AC1 2 ILE D 200 ? HIS D 205 ? ILE H 195 HIS H 200 AC1 3 THR D 210 ? LYS D 215 ? THR H 205 LYS H 210 AC2 1 LEU E 62 ? LEU E 64 ? LEU I 62 LEU I 64 AC2 2 SER E 17 ? ARG E 26 ? SER I 17 ARG I 26 AC2 3 ILE E 87 ? CYS E 99 ? ILE I 87 CYS I 99 AC2 4 HIS E 104 ? SER E 108 ? HIS I 104 SER I 108 AC2 5 THR E 2 ? ARG E 8 ? THR I 2 ARG I 8 AC2 6 GLU E 154 ? CYS E 158 ? GLU I 154 CYS I 158 AC2 7 HIS E 147 ? CYS E 151 ? HIS I 147 CYS I 151 AC3 1 VAL E 74 ? SER E 77 ? VAL I 74 SER I 77 AC3 2 ILE E 87 ? CYS E 99 ? ILE I 87 CYS I 99 AC3 3 SER E 17 ? ARG E 26 ? SER I 17 ARG I 26 AC3 4 THR E 35 ? PRO E 40 ? THR I 35 PRO I 40 AC3 5 THR E 131 ? PHE E 134 ? THR I 131 PHE I 134 AC3 6 SER E 166 ? TRP E 168 ? SER I 166 TRP I 168 AC4 1 MET F 4 ? SER F 7 ? MET L 4 SER L 7 AC4 2 ALA F 19 ? SER F 25 ? ALA L 19 SER L 25 AC4 3 ASP F 76 ? ILE F 81 ? ASP L 70 ILE L 75 AC4 4 PHE F 68 ? SER F 73 ? PHE L 62 SER L 67 AC5 1 SER F 10 ? VAL F 13 ? SER L 10 VAL L 13 AC5 2 THR F 104 ? ILE F 108 ? THR L 102 ILE L 106 AC5 3 VAL F 91 ? GLN F 96 ? VAL L 85 GLN L 90 AC5 4 ALA F 40 ? GLN F 44 ? ALA L 34 GLN L 38 AC5 5 LYS F 51 ? TYR F 55 ? LYS L 45 TYR L 49 AC5 6 THR F 59 ? ARG F 60 ? THR L 53 ARG L 54 AC6 1 SER F 10 ? VAL F 13 ? SER L 10 VAL L 13 AC6 2 THR F 104 ? ILE F 108 ? THR L 102 ILE L 106 AC6 3 VAL F 91 ? GLN F 96 ? VAL L 85 GLN L 90 AC6 4 SER F 99 ? PHE F 100 ? SER L 97 PHE L 98 AC7 1 SER F 116 ? PHE F 120 ? SER L 114 PHE L 118 AC7 2 THR F 131 ? PHE F 141 ? THR L 129 PHE L 139 AC7 3 TYR F 175 ? SER F 184 ? TYR L 173 SER L 182 AC7 4 SER F 161 ? VAL F 165 ? SER L 159 VAL L 163 AC8 1 ALA F 155 ? LEU F 156 ? ALA L 153 LEU L 154 AC8 2 LYS F 147 ? VAL F 152 ? LYS L 145 VAL L 150 AC8 3 VAL F 193 ? THR F 199 ? VAL L 191 THR L 197 AC8 4 VAL F 207 ? ASN F 212 ? VAL L 205 ASN L 210 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N VAL A 5 ? N VAL A 5 O LYS A 23 ? O LYS A 23 AA1 2 3 N VAL A 20 ? N VAL A 20 O MET A 81 ? O MET A 80 AA1 3 4 O TYR A 80 ? O TYR A 79 N THR A 71 ? N THR A 70 AA2 1 2 N GLU A 10 ? N GLU A 10 O THR A 115 ? O THR A 110 AA2 2 3 O VAL A 114 ? O VAL A 109 N ALA A 92 ? N ALA A 88 AA2 3 4 O ALA A 97 ? O ALA A 93 N HIS A 35 ? N HIS A 35 AA2 4 5 N ARG A 38 ? N ARG A 38 O GLU A 46 ? O GLU A 46 AA2 5 6 N TRP A 50 ? N TRP A 50 O ASN A 59 ? O ASN A 58 AA3 1 2 N GLU A 10 ? N GLU A 10 O THR A 115 ? O THR A 110 AA3 2 3 O VAL A 114 ? O VAL A 109 N ALA A 92 ? N ALA A 88 AA3 3 4 N LYS A 98 ? N LYS A 94 O TYR A 107 ? O TYR A 102 AA4 1 2 N SER A 125 ? N SER A 120 O LYS A 148 ? O LYS A 143 AA4 2 3 N ALA A 141 ? N ALA A 136 O VAL A 189 ? O VAL A 184 AA4 3 4 O VAL A 186 ? O VAL A 181 N HIS A 169 ? N HIS A 164 AA5 1 2 N SER A 137 ? N SER A 132 O THR A 140 ? O THR A 135 AA5 2 3 N ALA A 141 ? N ALA A 136 O VAL A 189 ? O VAL A 184 AA5 3 4 O SER A 182 ? O SER A 177 N VAL A 174 ? N VAL A 169 AA6 1 2 N SER A 158 ? N SER A 153 O ASN A 202 ? O ASN A 197 AA6 2 3 N VAL A 203 ? N VAL A 198 O VAL A 212 ? O VAL A 207 AA7 1 2 N THR B 5 ? N THR B 5 O LYS B 24 ? O LYS B 24 AA7 2 3 N ILE B 21 ? N ILE B 21 O LEU B 79 ? O LEU B 73 AA7 3 4 O THR B 80 ? O THR B 74 N SER B 69 ? N SER B 63 AA8 1 2 N LEU B 11 ? N LEU B 11 O LYS B 105 ? O LYS B 103 AA8 2 3 O VAL B 106 ? O VAL B 104 N ALA B 90 ? N ALA B 84 AA8 3 4 O VAL B 91 ? O VAL B 85 N GLN B 44 ? N GLN B 38 AA8 4 5 N TRP B 41 ? N TRP B 35 O LEU B 53 ? O LEU B 47 AA8 5 6 N TYR B 55 ? N TYR B 49 O THR B 59 ? O THR B 53 AA9 1 2 N LEU B 11 ? N LEU B 11 O LYS B 105 ? O LYS B 103 AA9 2 3 O VAL B 106 ? O VAL B 104 N ALA B 90 ? N ALA B 84 AA9 3 4 N GLN B 96 ? N GLN B 90 O SER B 99 ? O SER B 97 AB1 1 2 N PHE B 118 ? N PHE B 116 O LEU B 137 ? O LEU B 135 AB1 2 3 N PHE B 141 ? N PHE B 139 O TYR B 175 ? O TYR B 173 AB1 3 4 O THR B 180 ? O THR B 178 N GLN B 162 ? N GLN B 160 AB2 1 2 O ALA B 155 ? O ALA B 153 N VAL B 152 ? N VAL B 150 AB2 2 3 N LYS B 151 ? N LYS B 149 O ALA B 195 ? O ALA B 193 AB2 3 4 N VAL B 198 ? N VAL B 196 O VAL B 207 ? O VAL B 205 AB3 1 2 O PHE C 63 ? O PHE G 63 N GLY C 21 ? N GLY G 21 AB3 2 3 N ILE C 19 ? N ILE G 19 O VAL C 95 ? O VAL G 95 AB3 3 4 N ALA C 98 ? N ALA G 98 O ALA C 106 ? O ALA G 106 AB3 4 5 O CYS C 105 ? O CYS G 105 N LEU C 5 ? N LEU G 5 AB3 5 6 N ARG C 8 ? N ARG G 8 O TYR C 157 ? O TYR G 157 AB3 6 7 O CYS C 158 ? O CYS G 158 N HIS C 147 ? N HIS G 147 AB4 1 2 N VAL C 74 ? N VAL G 74 O GLN C 90 ? O GLN G 90 AB4 2 3 O VAL C 95 ? O VAL G 95 N ILE C 19 ? N ILE G 19 AB4 3 4 N THR C 25 ? N THR G 25 O ARG C 39 ? O ARG G 39 AB4 4 5 N PHE C 38 ? N PHE G 38 O ILE C 133 ? O ILE G 133 AB4 5 6 N PHE C 134 ? N PHE G 134 O SER C 166 ? O SER G 166 AB5 1 2 N VAL D 5 ? N VAL H 5 O LYS D 23 ? O LYS H 23 AB5 2 3 N CYS D 22 ? N CYS H 22 O ALA D 79 ? O ALA H 78 AB5 3 4 O TYR D 80 ? O TYR H 79 N THR D 71 ? N THR H 70 AB6 1 2 N GLU D 10 ? N GLU H 10 O THR D 115 ? O THR H 110 AB6 2 3 O VAL D 114 ? O VAL H 109 N ALA D 92 ? N ALA H 88 AB6 3 4 O ALA D 97 ? O ALA H 93 N HIS D 35 ? N HIS H 35 AB6 4 5 N TRP D 36 ? N TRP H 36 O MET D 48 ? O MET H 48 AB6 5 6 N TRP D 50 ? N TRP H 50 O ASN D 59 ? O ASN H 58 AB7 1 2 N GLU D 10 ? N GLU H 10 O THR D 115 ? O THR H 110 AB7 2 3 O VAL D 114 ? O VAL H 109 N ALA D 92 ? N ALA H 88 AB7 3 4 N LYS D 98 ? N LYS H 94 O TYR D 107 ? O TYR H 102 AB8 1 2 N SER D 125 ? N SER H 120 O LYS D 148 ? O LYS H 143 AB8 2 3 N ALA D 141 ? N ALA H 136 O VAL D 189 ? O VAL H 184 AB8 3 4 O VAL D 186 ? O VAL H 181 N HIS D 169 ? N HIS H 164 AB9 1 2 N SER D 125 ? N SER H 120 O LYS D 148 ? O LYS H 143 AB9 2 3 N ALA D 141 ? N ALA H 136 O VAL D 189 ? O VAL H 184 AB9 3 4 O SER D 182 ? O SER H 177 N VAL D 174 ? N VAL H 169 AC1 1 2 N SER D 158 ? N SER H 153 O ASN D 202 ? O ASN H 197 AC1 2 3 N VAL D 203 ? N VAL H 198 O VAL D 212 ? O VAL H 207 AC2 1 2 O PHE E 63 ? O PHE I 63 N GLY E 21 ? N GLY I 21 AC2 2 3 N LEU E 22 ? N LEU I 22 O VAL E 89 ? O VAL I 89 AC2 3 4 N ALA E 98 ? N ALA I 98 O ALA E 106 ? O ALA I 106 AC2 4 5 O CYS E 105 ? O CYS I 105 N LEU E 5 ? N LEU I 5 AC2 5 6 N ARG E 8 ? N ARG I 8 O TYR E 157 ? O TYR I 157 AC2 6 7 O CYS E 158 ? O CYS I 158 N HIS E 147 ? N HIS I 147 AC3 1 2 N VAL E 74 ? N VAL I 74 O GLN E 90 ? O GLN I 90 AC3 2 3 O VAL E 89 ? O VAL I 89 N LEU E 22 ? N LEU I 22 AC3 3 4 N THR E 25 ? N THR I 25 O ARG E 39 ? O ARG I 39 AC3 4 5 N PHE E 38 ? N PHE I 38 O ILE E 133 ? O ILE I 133 AC3 5 6 N PHE E 134 ? N PHE I 134 O SER E 166 ? O SER I 166 AC4 1 2 N SER F 7 ? N SER L 7 O ASN F 22 ? O ASN L 22 AC4 2 3 N ILE F 21 ? N ILE L 21 O LEU F 79 ? O LEU L 73 AC4 3 4 O THR F 80 ? O THR L 74 N SER F 69 ? N SER L 63 AC5 1 2 N LEU F 11 ? N LEU L 11 O GLU F 107 ? O GLU L 105 AC5 2 3 O THR F 104 ? O THR L 102 N TYR F 92 ? N TYR L 86 AC5 3 4 O VAL F 91 ? O VAL L 85 N GLN F 44 ? N GLN L 38 AC5 4 5 N TRP F 41 ? N TRP L 35 O LEU F 53 ? O LEU L 47 AC5 5 6 N TYR F 55 ? N TYR L 49 O THR F 59 ? O THR L 53 AC6 1 2 N LEU F 11 ? N LEU L 11 O GLU F 107 ? O GLU L 105 AC6 2 3 O THR F 104 ? O THR L 102 N TYR F 92 ? N TYR L 86 AC6 3 4 N GLN F 96 ? N GLN L 90 O SER F 99 ? O SER L 97 AC7 1 2 N PHE F 118 ? N PHE L 116 O LEU F 137 ? O LEU L 135 AC7 2 3 N ALA F 132 ? N ALA L 130 O LEU F 183 ? O LEU L 181 AC7 3 4 O THR F 180 ? O THR L 178 N GLN F 162 ? N GLN L 160 AC8 1 2 O ALA F 155 ? O ALA L 153 N VAL F 152 ? N VAL L 150 AC8 2 3 N GLN F 149 ? N GLN L 147 O GLU F 197 ? O GLU L 195 AC8 3 4 N VAL F 198 ? N VAL L 196 O VAL F 207 ? O VAL L 205 # 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 L PO4 301 ? 6 'binding site for residue PO4 L 301' AC2 Software G NAG 1001 ? 5 'binding site for Mono-Saccharide NAG G 1001 bound to ASN G 18' AC3 Software G NAG 1002 ? 6 'binding site for Mono-Saccharide NAG G 1002 bound to ASN G 65' AC4 Software I NAG 201 ? 5 'binding site for Mono-Saccharide NAG I 201 bound to ASN I 18' AC5 Software I NAG 202 ? 6 'binding site for Mono-Saccharide NAG I 202 bound to ASN I 65' # 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 6 VAL D 174 ? VAL H 169 . ? 1_555 ? 2 AC1 6 SER D 184 ? SER H 179 . ? 1_555 ? 3 AC1 6 GLN F 162 ? GLN L 160 . ? 1_555 ? 4 AC1 6 SER F 164 ? SER L 162 . ? 1_555 ? 5 AC1 6 SER F 178 ? SER L 176 . ? 1_555 ? 6 AC1 6 THR F 180 ? THR L 178 . ? 1_555 ? 7 AC2 5 GLN A 3 ? GLN A 3 . ? 4_746 ? 8 AC2 5 SER C 16 ? SER G 16 . ? 1_555 ? 9 AC2 5 SER C 17 ? SER G 17 . ? 1_555 ? 10 AC2 5 ASN C 18 ? ASN G 18 . ? 1_555 ? 11 AC2 5 NAG H . ? NAG G 1002 . ? 1_555 ? 12 AC3 6 HIS C 14 ? HIS G 14 . ? 1_555 ? 13 AC3 6 SER C 16 ? SER G 16 . ? 1_555 ? 14 AC3 6 SER C 17 ? SER G 17 . ? 1_555 ? 15 AC3 6 ASN C 65 ? ASN G 65 . ? 1_555 ? 16 AC3 6 ASN C 150 ? ASN G 150 . ? 1_555 ? 17 AC3 6 NAG G . ? NAG G 1001 . ? 1_555 ? 18 AC4 5 GLN D 3 ? GLN H 3 . ? 4_755 ? 19 AC4 5 SER E 16 ? SER I 16 . ? 1_555 ? 20 AC4 5 SER E 17 ? SER I 17 . ? 1_555 ? 21 AC4 5 ASN E 18 ? ASN I 18 . ? 1_555 ? 22 AC4 5 NAG J . ? NAG I 202 . ? 1_555 ? 23 AC5 6 HIS E 14 ? HIS I 14 . ? 1_555 ? 24 AC5 6 SER E 16 ? SER I 16 . ? 1_555 ? 25 AC5 6 SER E 17 ? SER I 17 . ? 1_555 ? 26 AC5 6 ASN E 65 ? ASN I 65 . ? 1_555 ? 27 AC5 6 ASN E 150 ? ASN I 150 . ? 1_555 ? 28 AC5 6 NAG I . ? NAG I 201 . ? 1_555 ? # _atom_sites.entry_id 5IF0 _atom_sites.fract_transf_matrix[1][1] 0.005741 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004265 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.006776 _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] 0.012015 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O P S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLN A 1 1 ? 224.078 86.606 16.506 1.00 73.86 ? 1 GLN A N 1 ATOM 2 C CA . GLN A 1 1 ? 223.881 85.232 16.960 1.00 78.71 ? 1 GLN A CA 1 ATOM 3 C C . GLN A 1 1 ? 222.797 84.523 16.144 1.00 73.79 ? 1 GLN A C 1 ATOM 4 O O . GLN A 1 1 ? 221.701 85.046 15.932 1.00 81.28 ? 1 GLN A O 1 ATOM 5 C CB . GLN A 1 1 ? 223.539 85.195 18.456 1.00 88.61 ? 1 GLN A CB 1 ATOM 6 C CG . GLN A 1 1 ? 222.165 85.750 18.840 1.00 100.90 ? 1 GLN A CG 1 ATOM 7 C CD . GLN A 1 1 ? 222.009 87.238 18.542 1.00 112.39 ? 1 GLN A CD 1 ATOM 8 O OE1 . GLN A 1 1 ? 222.969 87.917 18.167 1.00 112.22 ? 1 GLN A OE1 1 ATOM 9 N NE2 . GLN A 1 1 ? 220.792 87.748 18.706 1.00 115.39 ? 1 GLN A NE2 1 ATOM 10 N N . VAL A 1 2 ? 223.127 83.329 15.677 1.00 67.28 ? 2 VAL A N 1 ATOM 11 C CA . VAL A 1 2 ? 222.220 82.552 14.845 1.00 57.94 ? 2 VAL A CA 1 ATOM 12 C C . VAL A 1 2 ? 221.146 81.933 15.724 1.00 51.84 ? 2 VAL A C 1 ATOM 13 O O . VAL A 1 2 ? 221.446 81.305 16.745 1.00 57.47 ? 2 VAL A O 1 ATOM 14 C CB . VAL A 1 2 ? 222.994 81.477 14.070 1.00 51.59 ? 2 VAL A CB 1 ATOM 15 C CG1 . VAL A 1 2 ? 222.042 80.618 13.250 1.00 45.31 ? 2 VAL A CG1 1 ATOM 16 C CG2 . VAL A 1 2 ? 224.056 82.141 13.194 1.00 42.12 ? 2 VAL A CG2 1 ATOM 17 N N . GLN A 1 3 ? 219.890 82.110 15.332 1.00 51.49 ? 3 GLN A N 1 ATOM 18 C CA . GLN A 1 3 ? 218.774 81.529 16.064 1.00 52.68 ? 3 GLN A CA 1 ATOM 19 C C . GLN A 1 3 ? 217.783 80.932 15.080 1.00 48.96 ? 3 GLN A C 1 ATOM 20 O O . GLN A 1 3 ? 217.429 81.566 14.081 1.00 59.41 ? 3 GLN A O 1 ATOM 21 C CB . GLN A 1 3 ? 218.079 82.572 16.942 1.00 60.11 ? 3 GLN A CB 1 ATOM 22 C CG . GLN A 1 3 ? 218.903 83.020 18.137 1.00 80.24 ? 3 GLN A CG 1 ATOM 23 C CD . GLN A 1 3 ? 218.216 84.112 18.936 1.00 92.64 ? 3 GLN A CD 1 ATOM 24 O OE1 . GLN A 1 3 ? 217.015 84.348 18.782 1.00 94.27 ? 3 GLN A OE1 1 ATOM 25 N NE2 . GLN A 1 3 ? 218.978 84.790 19.791 1.00 95.86 ? 3 GLN A NE2 1 ATOM 26 N N . LEU A 1 4 ? 217.344 79.713 15.366 1.00 41.39 ? 4 LEU A N 1 ATOM 27 C CA . LEU A 1 4 ? 216.290 79.041 14.618 1.00 46.77 ? 4 LEU A CA 1 ATOM 28 C C . LEU A 1 4 ? 215.146 78.799 15.587 1.00 51.92 ? 4 LEU A C 1 ATOM 29 O O . LEU A 1 4 ? 215.260 77.955 16.483 1.00 54.25 ? 4 LEU A O 1 ATOM 30 C CB . LEU A 1 4 ? 216.788 77.727 14.017 1.00 46.58 ? 4 LEU A CB 1 ATOM 31 C CG . LEU A 1 4 ? 217.990 77.809 13.075 1.00 44.74 ? 4 LEU A CG 1 ATOM 32 C CD1 . LEU A 1 4 ? 218.306 76.443 12.537 1.00 49.41 ? 4 LEU A CD1 1 ATOM 33 C CD2 . LEU A 1 4 ? 217.704 78.770 11.934 1.00 44.32 ? 4 LEU A CD2 1 ATOM 34 N N . VAL A 1 5 ? 214.055 79.540 15.414 1.00 46.81 ? 5 VAL A N 1 ATOM 35 C CA . VAL A 1 5 ? 212.899 79.471 16.302 1.00 42.81 ? 5 VAL A CA 1 ATOM 36 C C . VAL A 1 5 ? 211.759 78.799 15.551 1.00 47.35 ? 5 VAL A C 1 ATOM 37 O O . VAL A 1 5 ? 211.315 79.297 14.510 1.00 65.25 ? 5 VAL A O 1 ATOM 38 C CB . VAL A 1 5 ? 212.485 80.866 16.794 1.00 50.96 ? 5 VAL A CB 1 ATOM 39 C CG1 . VAL A 1 5 ? 211.268 80.765 17.692 1.00 42.56 ? 5 VAL A CG1 1 ATOM 40 C CG2 . VAL A 1 5 ? 213.656 81.545 17.520 1.00 40.14 ? 5 VAL A CG2 1 ATOM 41 N N . GLN A 1 6 ? 211.276 77.682 16.082 1.00 45.19 ? 6 GLN A N 1 ATOM 42 C CA . GLN A 1 6 ? 210.233 76.891 15.444 1.00 43.83 ? 6 GLN A CA 1 ATOM 43 C C . GLN A 1 6 ? 208.872 77.135 16.089 1.00 53.81 ? 6 GLN A C 1 ATOM 44 O O . GLN A 1 6 ? 208.757 77.687 17.185 1.00 54.16 ? 6 GLN A O 1 ATOM 45 C CB . GLN A 1 6 ? 210.576 75.402 15.511 1.00 38.61 ? 6 GLN A CB 1 ATOM 46 C CG . GLN A 1 6 ? 211.791 75.028 14.708 1.00 48.01 ? 6 GLN A CG 1 ATOM 47 C CD . GLN A 1 6 ? 212.073 73.555 14.766 1.00 41.89 ? 6 GLN A CD 1 ATOM 48 O OE1 . GLN A 1 6 ? 213.213 73.139 14.963 1.00 43.04 ? 6 GLN A OE1 1 ATOM 49 N NE2 . GLN A 1 6 ? 211.036 72.748 14.582 1.00 44.03 ? 6 GLN A NE2 1 ATOM 50 N N . SER A 1 7 ? 207.832 76.676 15.397 1.00 54.73 ? 7 SER A N 1 ATOM 51 C CA . SER A 1 7 ? 206.459 76.849 15.837 1.00 49.12 ? 7 SER A CA 1 ATOM 52 C C . SER A 1 7 ? 206.118 75.839 16.934 1.00 51.82 ? 7 SER A C 1 ATOM 53 O O . SER A 1 7 ? 206.850 74.878 17.181 1.00 52.39 ? 7 SER A O 1 ATOM 54 C CB . SER A 1 7 ? 205.506 76.717 14.648 1.00 43.74 ? 7 SER A CB 1 ATOM 55 O OG . SER A 1 7 ? 205.810 75.569 13.871 1.00 49.83 ? 7 SER A OG 1 ATOM 56 N N . GLY A 1 8 ? 204.974 76.064 17.599 1.00 53.17 ? 8 GLY A N 1 ATOM 57 C CA . GLY A 1 8 ? 204.637 75.307 18.788 1.00 40.44 ? 8 GLY A CA 1 ATOM 58 C C . GLY A 1 8 ? 204.148 73.886 18.521 1.00 50.77 ? 8 GLY A C 1 ATOM 59 O O . GLY A 1 8 ? 203.871 73.483 17.389 1.00 61.11 ? 8 GLY A O 1 ATOM 60 N N . ALA A 1 9 ? 204.041 73.127 19.615 1.00 46.23 ? 9 ALA A N 1 ATOM 61 C CA . ALA A 1 9 ? 203.566 71.748 19.561 1.00 50.70 ? 9 ALA A CA 1 ATOM 62 C C . ALA A 1 9 ? 202.167 71.670 18.956 1.00 51.58 ? 9 ALA A C 1 ATOM 63 O O . ALA A 1 9 ? 201.349 72.580 19.106 1.00 54.87 ? 9 ALA A O 1 ATOM 64 C CB . ALA A 1 9 ? 203.554 71.139 20.965 1.00 43.34 ? 9 ALA A CB 1 ATOM 65 N N . GLU A 1 10 ? 201.890 70.559 18.272 1.00 50.51 ? 10 GLU A N 1 ATOM 66 C CA . GLU A 1 10 ? 200.605 70.351 17.616 1.00 61.55 ? 10 GLU A CA 1 ATOM 67 C C . GLU A 1 10 ? 200.099 68.942 17.897 1.00 61.77 ? 10 GLU A C 1 ATOM 68 O O . GLU A 1 10 ? 200.880 67.991 17.996 1.00 67.10 ? 10 GLU A O 1 ATOM 69 C CB . GLU A 1 10 ? 200.699 70.560 16.092 1.00 74.98 ? 10 GLU A CB 1 ATOM 70 C CG . GLU A 1 10 ? 201.422 71.831 15.659 1.00 83.57 ? 10 GLU A CG 1 ATOM 71 C CD . GLU A 1 10 ? 200.481 72.917 15.178 1.00 95.30 ? 10 GLU A CD 1 ATOM 72 O OE1 . GLU A 1 10 ? 199.249 72.712 15.233 1.00 107.72 ? 10 GLU A OE1 1 ATOM 73 O OE2 . GLU A 1 10 ? 200.977 73.976 14.738 1.00 96.90 -1 10 GLU A OE2 1 ATOM 74 N N . VAL A 1 11 ? 198.778 68.812 18.018 1.00 62.28 ? 11 VAL A N 1 ATOM 75 C CA . VAL A 1 11 ? 198.113 67.514 18.064 1.00 61.55 ? 11 VAL A CA 1 ATOM 76 C C . VAL A 1 11 ? 197.202 67.413 16.851 1.00 53.63 ? 11 VAL A C 1 ATOM 77 O O . VAL A 1 11 ? 196.457 68.351 16.548 1.00 60.98 ? 11 VAL A O 1 ATOM 78 C CB . VAL A 1 11 ? 197.318 67.307 19.366 1.00 61.48 ? 11 VAL A CB 1 ATOM 79 C CG1 . VAL A 1 11 ? 196.766 65.884 19.417 1.00 55.70 ? 11 VAL A CG1 1 ATOM 80 C CG2 . VAL A 1 11 ? 198.199 67.586 20.576 1.00 51.87 ? 11 VAL A CG2 1 ATOM 81 N N . LYS A 1 12 ? 197.270 66.283 16.153 1.00 50.96 ? 12 LYS A N 1 ATOM 82 C CA . LYS A 1 12 ? 196.574 66.118 14.887 1.00 49.54 ? 12 LYS A CA 1 ATOM 83 C C . LYS A 1 12 ? 195.959 64.728 14.814 1.00 58.85 ? 12 LYS A C 1 ATOM 84 O O . LYS A 1 12 ? 196.508 63.760 15.347 1.00 69.86 ? 12 LYS A O 1 ATOM 85 C CB . LYS A 1 12 ? 197.520 66.341 13.691 1.00 40.61 ? 12 LYS A CB 1 ATOM 86 C CG . LYS A 1 12 ? 198.039 67.773 13.539 1.00 44.38 ? 12 LYS A CG 1 ATOM 87 C CD . LYS A 1 12 ? 197.012 68.673 12.856 1.00 45.92 ? 12 LYS A CD 1 ATOM 88 C CE . LYS A 1 12 ? 197.535 70.092 12.672 1.00 45.38 ? 12 LYS A CE 1 ATOM 89 N NZ . LYS A 1 12 ? 196.527 70.976 12.015 1.00 61.90 1 12 LYS A NZ 1 ATOM 90 N N . LYS A 1 13 ? 194.805 64.648 14.155 1.00 48.38 ? 13 LYS A N 1 ATOM 91 C CA . LYS A 1 13 ? 194.155 63.369 13.923 1.00 62.70 ? 13 LYS A CA 1 ATOM 92 C C . LYS A 1 13 ? 194.869 62.616 12.804 1.00 65.59 ? 13 LYS A C 1 ATOM 93 O O . LYS A 1 13 ? 195.465 63.232 11.917 1.00 63.71 ? 13 LYS A O 1 ATOM 94 C CB . LYS A 1 13 ? 192.683 63.565 13.550 1.00 64.99 ? 13 LYS A CB 1 ATOM 95 C CG . LYS A 1 13 ? 191.702 63.387 14.703 1.00 75.24 ? 13 LYS A CG 1 ATOM 96 C CD . LYS A 1 13 ? 191.622 64.623 15.587 1.00 81.62 ? 13 LYS A CD 1 ATOM 97 C CE . LYS A 1 13 ? 190.775 64.352 16.824 1.00 80.76 ? 13 LYS A CE 1 ATOM 98 N NZ . LYS A 1 13 ? 189.460 63.755 16.461 1.00 81.84 1 13 LYS A NZ 1 ATOM 99 N N . PRO A 1 14 ? 194.833 61.284 12.831 1.00 66.61 ? 14 PRO A N 1 ATOM 100 C CA . PRO A 1 14 ? 195.406 60.507 11.723 1.00 55.84 ? 14 PRO A CA 1 ATOM 101 C C . PRO A 1 14 ? 194.803 60.925 10.390 1.00 59.14 ? 14 PRO A C 1 ATOM 102 O O . PRO A 1 14 ? 193.589 61.084 10.262 1.00 65.75 ? 14 PRO A O 1 ATOM 103 C CB . PRO A 1 14 ? 195.038 59.063 12.079 1.00 46.76 ? 14 PRO A CB 1 ATOM 104 C CG . PRO A 1 14 ? 194.922 59.075 13.575 1.00 53.54 ? 14 PRO A CG 1 ATOM 105 C CD . PRO A 1 14 ? 194.362 60.424 13.932 1.00 58.29 ? 14 PRO A CD 1 ATOM 106 N N . GLY A 1 15 ? 195.666 61.116 9.394 1.00 61.76 ? 15 GLY A N 1 ATOM 107 C CA . GLY A 1 15 ? 195.234 61.488 8.063 1.00 60.09 ? 15 GLY A CA 1 ATOM 108 C C . GLY A 1 15 ? 195.194 62.978 7.786 1.00 57.98 ? 15 GLY A C 1 ATOM 109 O O . GLY A 1 15 ? 195.025 63.370 6.621 1.00 64.89 ? 15 GLY A O 1 ATOM 110 N N . ALA A 1 16 ? 195.344 63.817 8.811 1.00 55.90 ? 16 ALA A N 1 ATOM 111 C CA . ALA A 1 16 ? 195.379 65.264 8.640 1.00 64.76 ? 16 ALA A CA 1 ATOM 112 C C . ALA A 1 16 ? 196.703 65.723 8.035 1.00 70.13 ? 16 ALA A C 1 ATOM 113 O O . ALA A 1 16 ? 197.344 64.987 7.279 1.00 75.49 ? 16 ALA A O 1 ATOM 114 C CB . ALA A 1 16 ? 195.142 65.961 9.981 1.00 43.53 ? 16 ALA A CB 1 ATOM 115 N N . SER A 1 17 ? 197.108 66.948 8.364 1.00 58.58 ? 17 SER A N 1 ATOM 116 C CA . SER A 1 17 ? 198.325 67.563 7.854 1.00 51.29 ? 17 SER A CA 1 ATOM 117 C C . SER A 1 17 ? 198.840 68.541 8.895 1.00 60.07 ? 17 SER A C 1 ATOM 118 O O . SER A 1 17 ? 198.055 69.250 9.532 1.00 68.87 ? 17 SER A O 1 ATOM 119 C CB . SER A 1 17 ? 198.088 68.296 6.530 1.00 58.79 ? 17 SER A CB 1 ATOM 120 O OG . SER A 1 17 ? 197.898 67.384 5.466 1.00 71.53 ? 17 SER A OG 1 ATOM 121 N N . VAL A 1 18 ? 200.155 68.580 9.062 1.00 52.19 ? 18 VAL A N 1 ATOM 122 C CA . VAL A 1 18 ? 200.789 69.525 9.968 1.00 51.16 ? 18 VAL A CA 1 ATOM 123 C C . VAL A 1 18 ? 201.764 70.370 9.160 1.00 51.78 ? 18 VAL A C 1 ATOM 124 O O . VAL A 1 18 ? 202.331 69.903 8.166 1.00 55.08 ? 18 VAL A O 1 ATOM 125 C CB . VAL A 1 18 ? 201.488 68.805 11.142 1.00 45.88 ? 18 VAL A CB 1 ATOM 126 C CG1 . VAL A 1 18 ? 202.615 67.915 10.634 1.00 48.83 ? 18 VAL A CG1 1 ATOM 127 C CG2 . VAL A 1 18 ? 201.974 69.806 12.186 1.00 42.55 ? 18 VAL A CG2 1 ATOM 128 N N . LYS A 1 19 ? 201.918 71.632 9.557 1.00 48.12 ? 19 LYS A N 1 ATOM 129 C CA . LYS A 1 19 ? 202.812 72.562 8.875 1.00 46.98 ? 19 LYS A CA 1 ATOM 130 C C . LYS A 1 19 ? 203.678 73.222 9.935 1.00 52.52 ? 19 LYS A C 1 ATOM 131 O O . LYS A 1 19 ? 203.219 74.097 10.675 1.00 64.25 ? 19 LYS A O 1 ATOM 132 C CB . LYS A 1 19 ? 202.051 73.598 8.056 1.00 48.66 ? 19 LYS A CB 1 ATOM 133 C CG . LYS A 1 19 ? 202.983 74.512 7.262 1.00 58.12 ? 19 LYS A CG 1 ATOM 134 C CD . LYS A 1 19 ? 202.280 75.134 6.063 1.00 58.17 ? 19 LYS A CD 1 ATOM 135 C CE . LYS A 1 19 ? 203.270 75.836 5.147 1.00 52.97 ? 19 LYS A CE 1 ATOM 136 N NZ . LYS A 1 19 ? 202.590 76.556 4.031 1.00 72.14 1 19 LYS A NZ 1 ATOM 137 N N . VAL A 1 20 ? 204.912 72.804 9.993 1.00 48.50 ? 20 VAL A N 1 ATOM 138 C CA . VAL A 1 20 ? 205.875 73.302 10.958 1.00 48.92 ? 20 VAL A CA 1 ATOM 139 C C . VAL A 1 20 ? 206.656 74.434 10.314 1.00 46.73 ? 20 VAL A C 1 ATOM 140 O O . VAL A 1 20 ? 207.029 74.359 9.139 1.00 56.27 ? 20 VAL A O 1 ATOM 141 C CB . VAL A 1 20 ? 206.805 72.163 11.415 1.00 46.41 ? 20 VAL A CB 1 ATOM 142 C CG1 . VAL A 1 20 ? 207.787 72.657 12.466 1.00 37.29 ? 20 VAL A CG1 1 ATOM 143 C CG2 . VAL A 1 20 ? 205.973 70.998 11.930 1.00 41.23 ? 20 VAL A CG2 1 ATOM 144 N N . SER A 1 21 ? 206.899 75.490 11.070 1.00 43.88 ? 21 SER A N 1 ATOM 145 C CA . SER A 1 21 ? 207.682 76.602 10.563 1.00 43.53 ? 21 SER A CA 1 ATOM 146 C C . SER A 1 21 ? 208.982 76.701 11.344 1.00 40.58 ? 21 SER A C 1 ATOM 147 O O . SER A 1 21 ? 209.180 76.033 12.360 1.00 55.01 ? 21 SER A O 1 ATOM 148 C CB . SER A 1 21 ? 206.897 77.921 10.632 1.00 41.27 ? 21 SER A CB 1 ATOM 149 O OG . SER A 1 21 ? 206.786 78.385 11.962 1.00 52.65 ? 21 SER A OG 1 ATOM 150 N N . CYS A 1 22 ? 209.885 77.539 10.837 1.00 49.24 ? 22 CYS A N 1 ATOM 151 C CA . CYS A 1 22 ? 211.202 77.683 11.449 1.00 43.99 ? 22 CYS A CA 1 ATOM 152 C C . CYS A 1 22 ? 211.788 79.002 10.947 1.00 46.85 ? 22 CYS A C 1 ATOM 153 O O . CYS A 1 22 ? 212.172 79.105 9.780 1.00 56.54 ? 22 CYS A O 1 ATOM 154 C CB . CYS A 1 22 ? 212.081 76.492 11.109 1.00 46.37 ? 22 CYS A CB 1 ATOM 155 S SG . CYS A 1 22 ? 213.851 76.691 11.385 1.00 61.28 ? 22 CYS A SG 1 ATOM 156 N N . LYS A 1 23 ? 211.820 80.001 11.828 1.00 48.56 ? 23 LYS A N 1 ATOM 157 C CA . LYS A 1 23 ? 212.297 81.335 11.489 1.00 51.85 ? 23 LYS A CA 1 ATOM 158 C C . LYS A 1 23 ? 213.771 81.443 11.851 1.00 47.95 ? 23 LYS A C 1 ATOM 159 O O . LYS A 1 23 ? 214.155 81.189 12.998 1.00 62.20 ? 23 LYS A O 1 ATOM 160 C CB . LYS A 1 23 ? 211.486 82.410 12.212 1.00 41.71 ? 23 LYS A CB 1 ATOM 161 C CG . LYS A 1 23 ? 211.798 83.821 11.764 1.00 52.02 ? 23 LYS A CG 1 ATOM 162 C CD . LYS A 1 23 ? 211.013 84.850 12.570 1.00 68.88 ? 23 LYS A CD 1 ATOM 163 C CE . LYS A 1 23 ? 210.812 86.151 11.778 1.00 77.39 ? 23 LYS A CE 1 ATOM 164 N NZ . LYS A 1 23 ? 212.084 86.713 11.229 1.00 81.95 1 23 LYS A NZ 1 ATOM 165 N N . ALA A 1 24 ? 214.586 81.813 10.868 1.00 48.49 ? 24 ALA A N 1 ATOM 166 C CA . ALA A 1 24 ? 216.027 81.950 11.005 1.00 45.76 ? 24 ALA A CA 1 ATOM 167 C C . ALA A 1 24 ? 216.400 83.412 11.210 1.00 51.38 ? 24 ALA A C 1 ATOM 168 O O . ALA A 1 24 ? 215.722 84.319 10.720 1.00 61.96 ? 24 ALA A O 1 ATOM 169 C CB . ALA A 1 24 ? 216.735 81.401 9.764 1.00 44.04 ? 24 ALA A CB 1 ATOM 170 N N . SER A 1 25 ? 217.494 83.635 11.934 1.00 55.49 ? 25 SER A N 1 ATOM 171 C CA . SER A 1 25 ? 217.959 84.991 12.205 1.00 56.70 ? 25 SER A CA 1 ATOM 172 C C . SER A 1 25 ? 219.447 84.958 12.530 1.00 52.41 ? 25 SER A C 1 ATOM 173 O O . SER A 1 25 ? 219.971 83.947 13.005 1.00 59.59 ? 25 SER A O 1 ATOM 174 C CB . SER A 1 25 ? 217.167 85.639 13.352 1.00 58.62 ? 25 SER A CB 1 ATOM 175 O OG . SER A 1 25 ? 216.912 84.709 14.399 1.00 73.89 ? 25 SER A OG 1 ATOM 176 N N . GLY A 1 26 ? 220.120 86.073 12.259 1.00 56.54 ? 26 GLY A N 1 ATOM 177 C CA . GLY A 1 26 ? 221.531 86.208 12.560 1.00 52.78 ? 26 GLY A CA 1 ATOM 178 C C . GLY A 1 26 ? 222.482 85.809 11.453 1.00 57.18 ? 26 GLY A C 1 ATOM 179 O O . GLY A 1 26 ? 223.698 85.924 11.639 1.00 61.42 ? 26 GLY A O 1 ATOM 180 N N . TYR A 1 27 ? 221.977 85.343 10.311 1.00 63.95 ? 27 TYR A N 1 ATOM 181 C CA . TYR A 1 27 ? 222.834 84.953 9.200 1.00 59.14 ? 27 TYR A CA 1 ATOM 182 C C . TYR A 1 27 ? 222.080 85.179 7.892 1.00 62.14 ? 27 TYR A C 1 ATOM 183 O O . TYR A 1 27 ? 220.862 85.371 7.881 1.00 70.43 ? 27 TYR A O 1 ATOM 184 C CB . TYR A 1 27 ? 223.301 83.494 9.348 1.00 48.74 ? 27 TYR A CB 1 ATOM 185 C CG . TYR A 1 27 ? 222.232 82.457 9.073 1.00 48.67 ? 27 TYR A CG 1 ATOM 186 C CD1 . TYR A 1 27 ? 221.385 82.007 10.085 1.00 49.81 ? 27 TYR A CD1 1 ATOM 187 C CD2 . TYR A 1 27 ? 222.072 81.924 7.798 1.00 47.56 ? 27 TYR A CD2 1 ATOM 188 C CE1 . TYR A 1 27 ? 220.402 81.057 9.827 1.00 37.74 ? 27 TYR A CE1 1 ATOM 189 C CE2 . TYR A 1 27 ? 221.098 80.975 7.534 1.00 45.40 ? 27 TYR A CE2 1 ATOM 190 C CZ . TYR A 1 27 ? 220.267 80.548 8.545 1.00 43.14 ? 27 TYR A CZ 1 ATOM 191 O OH . TYR A 1 27 ? 219.306 79.608 8.259 1.00 50.97 ? 27 TYR A OH 1 ATOM 192 N N . THR A 1 28 ? 222.827 85.166 6.781 1.00 54.00 ? 28 THR A N 1 ATOM 193 C CA . THR A 1 28 ? 222.245 85.302 5.445 1.00 43.62 ? 28 THR A CA 1 ATOM 194 C C . THR A 1 28 ? 221.400 84.076 5.125 1.00 57.88 ? 28 THR A C 1 ATOM 195 O O . THR A 1 28 ? 221.940 83.007 4.814 1.00 57.13 ? 28 THR A O 1 ATOM 196 C CB . THR A 1 28 ? 223.342 85.476 4.399 1.00 65.63 ? 28 THR A CB 1 ATOM 197 O OG1 . THR A 1 28 ? 224.057 86.692 4.648 1.00 68.76 ? 28 THR A OG1 1 ATOM 198 C CG2 . THR A 1 28 ? 222.734 85.523 2.996 1.00 60.17 ? 28 THR A CG2 1 ATOM 199 N N . PHE A 1 29 ? 220.073 84.239 5.170 1.00 57.65 ? 29 PHE A N 1 ATOM 200 C CA . PHE A 1 29 ? 219.163 83.096 5.101 1.00 49.59 ? 29 PHE A CA 1 ATOM 201 C C . PHE A 1 29 ? 219.354 82.286 3.821 1.00 48.44 ? 29 PHE A C 1 ATOM 202 O O . PHE A 1 29 ? 219.379 81.052 3.860 1.00 53.93 ? 29 PHE A O 1 ATOM 203 C CB . PHE A 1 29 ? 217.720 83.582 5.215 1.00 44.28 ? 29 PHE A CB 1 ATOM 204 C CG . PHE A 1 29 ? 216.703 82.480 5.196 1.00 41.73 ? 29 PHE A CG 1 ATOM 205 C CD1 . PHE A 1 29 ? 216.657 81.544 6.213 1.00 41.71 ? 29 PHE A CD1 1 ATOM 206 C CD2 . PHE A 1 29 ? 215.779 82.394 4.173 1.00 43.64 ? 29 PHE A CD2 1 ATOM 207 C CE1 . PHE A 1 29 ? 215.719 80.540 6.205 1.00 41.86 ? 29 PHE A CE1 1 ATOM 208 C CE2 . PHE A 1 29 ? 214.828 81.393 4.165 1.00 44.60 ? 29 PHE A CE2 1 ATOM 209 C CZ . PHE A 1 29 ? 214.799 80.465 5.178 1.00 42.44 ? 29 PHE A CZ 1 ATOM 210 N N . THR A 1 30 ? 219.493 82.956 2.680 1.00 56.77 ? 30 THR A N 1 ATOM 211 C CA . THR A 1 30 ? 219.630 82.226 1.415 1.00 56.20 ? 30 THR A CA 1 ATOM 212 C C . THR A 1 30 ? 220.988 81.612 1.220 1.00 52.18 ? 30 THR A C 1 ATOM 213 O O . THR A 1 30 ? 221.231 81.154 0.099 1.00 53.42 ? 30 THR A O 1 ATOM 214 C CB . THR A 1 30 ? 219.352 83.151 0.235 1.00 53.83 ? 30 THR A CB 1 ATOM 215 O OG1 . THR A 1 30 ? 220.292 84.231 0.261 1.00 57.44 ? 30 THR A OG1 1 ATOM 216 C CG2 . THR A 1 30 ? 217.942 83.702 0.304 1.00 54.41 ? 30 THR A CG2 1 ATOM 217 N N . GLY A 1 31 ? 221.881 81.567 2.203 1.00 41.34 ? 31 GLY A N 1 ATOM 218 C CA . GLY A 1 31 ? 223.251 81.190 1.929 1.00 40.86 ? 31 GLY A CA 1 ATOM 219 C C . GLY A 1 31 ? 223.585 79.763 2.293 1.00 58.47 ? 31 GLY A C 1 ATOM 220 O O . GLY A 1 31 ? 224.612 79.231 1.861 1.00 59.68 ? 31 GLY A O 1 ATOM 221 N N . TYR A 1 32 ? 222.724 79.132 3.087 1.00 50.04 ? 32 TYR A N 1 ATOM 222 C CA . TYR A 1 32 ? 222.959 77.786 3.584 1.00 51.55 ? 32 TYR A CA 1 ATOM 223 C C . TYR A 1 32 ? 221.703 76.960 3.385 1.00 48.56 ? 32 TYR A C 1 ATOM 224 O O . TYR A 1 32 ? 220.589 77.472 3.530 1.00 48.32 ? 32 TYR A O 1 ATOM 225 C CB . TYR A 1 32 ? 223.350 77.805 5.067 1.00 52.57 ? 32 TYR A CB 1 ATOM 226 C CG . TYR A 1 32 ? 224.561 78.660 5.362 1.00 50.19 ? 32 TYR A CG 1 ATOM 227 C CD1 . TYR A 1 32 ? 224.448 80.037 5.504 1.00 57.22 ? 32 TYR A CD1 1 ATOM 228 C CD2 . TYR A 1 32 ? 225.819 78.092 5.497 1.00 58.98 ? 32 TYR A CD2 1 ATOM 229 C CE1 . TYR A 1 32 ? 225.555 80.824 5.767 1.00 64.85 ? 32 TYR A CE1 1 ATOM 230 C CE2 . TYR A 1 32 ? 226.931 78.871 5.763 1.00 64.39 ? 32 TYR A CE2 1 ATOM 231 C CZ . TYR A 1 32 ? 226.789 80.234 5.900 1.00 66.73 ? 32 TYR A CZ 1 ATOM 232 O OH . TYR A 1 32 ? 227.887 81.010 6.167 1.00 73.84 ? 32 TYR A OH 1 ATOM 233 N N . TYR A 1 33 ? 221.884 75.689 3.030 1.00 46.50 ? 33 TYR A N 1 ATOM 234 C CA . TYR A 1 33 ? 220.743 74.795 2.923 1.00 50.51 ? 33 TYR A CA 1 ATOM 235 C C . TYR A 1 33 ? 220.158 74.537 4.304 1.00 55.52 ? 33 TYR A C 1 ATOM 236 O O . TYR A 1 33 ? 220.867 74.500 5.310 1.00 58.42 ? 33 TYR A O 1 ATOM 237 C CB . TYR A 1 33 ? 221.138 73.460 2.294 1.00 37.69 ? 33 TYR A CB 1 ATOM 238 C CG . TYR A 1 33 ? 221.339 73.456 0.798 1.00 40.68 ? 33 TYR A CG 1 ATOM 239 C CD1 . TYR A 1 33 ? 221.748 74.590 0.110 1.00 49.42 ? 33 TYR A CD1 1 ATOM 240 C CD2 . TYR A 1 33 ? 221.123 72.296 0.071 1.00 39.00 ? 33 TYR A CD2 1 ATOM 241 C CE1 . TYR A 1 33 ? 221.936 74.558 -1.271 1.00 41.74 ? 33 TYR A CE1 1 ATOM 242 C CE2 . TYR A 1 33 ? 221.307 72.256 -1.291 1.00 38.56 ? 33 TYR A CE2 1 ATOM 243 C CZ . TYR A 1 33 ? 221.709 73.383 -1.963 1.00 40.38 ? 33 TYR A CZ 1 ATOM 244 O OH . TYR A 1 33 ? 221.885 73.314 -3.330 1.00 53.78 ? 33 TYR A OH 1 ATOM 245 N N . MET A 1 34 ? 218.851 74.345 4.342 1.00 47.03 ? 34 MET A N 1 ATOM 246 C CA . MET A 1 34 ? 218.140 74.053 5.572 1.00 40.49 ? 34 MET A CA 1 ATOM 247 C C . MET A 1 34 ? 217.649 72.614 5.514 1.00 40.65 ? 34 MET A C 1 ATOM 248 O O . MET A 1 34 ? 217.004 72.213 4.538 1.00 42.82 ? 34 MET A O 1 ATOM 249 C CB . MET A 1 34 ? 216.968 75.020 5.761 1.00 33.95 ? 34 MET A CB 1 ATOM 250 C CG . MET A 1 34 ? 216.257 74.872 7.091 1.00 73.33 ? 34 MET A CG 1 ATOM 251 S SD . MET A 1 34 ? 217.184 75.591 8.461 1.00 75.43 ? 34 MET A SD 1 ATOM 252 C CE . MET A 1 34 ? 217.074 77.331 8.040 1.00 66.17 ? 34 MET A CE 1 ATOM 253 N N . HIS A 1 35 ? 217.964 71.835 6.541 1.00 44.02 ? 35 HIS A N 1 ATOM 254 C CA . HIS A 1 35 ? 217.543 70.445 6.591 1.00 40.33 ? 35 HIS A CA 1 ATOM 255 C C . HIS A 1 35 ? 216.464 70.259 7.649 1.00 38.95 ? 35 HIS A C 1 ATOM 256 O O . HIS A 1 35 ? 216.325 71.061 8.577 1.00 35.80 ? 35 HIS A O 1 ATOM 257 C CB . HIS A 1 35 ? 218.732 69.526 6.877 1.00 33.05 ? 35 HIS A CB 1 ATOM 258 C CG . HIS A 1 35 ? 219.766 69.518 5.794 1.00 43.96 ? 35 HIS A CG 1 ATOM 259 N ND1 . HIS A 1 35 ? 220.007 68.412 5.006 1.00 43.49 ? 35 HIS A ND1 1 ATOM 260 C CD2 . HIS A 1 35 ? 220.628 70.475 5.374 1.00 37.43 ? 35 HIS A CD2 1 ATOM 261 C CE1 . HIS A 1 35 ? 220.977 68.687 4.151 1.00 45.88 ? 35 HIS A CE1 1 ATOM 262 N NE2 . HIS A 1 35 ? 221.370 69.932 4.353 1.00 46.20 ? 35 HIS A NE2 1 ATOM 263 N N . TRP A 1 36 ? 215.690 69.190 7.489 1.00 34.01 ? 36 TRP A N 1 ATOM 264 C CA . TRP A 1 36 ? 214.667 68.802 8.454 1.00 43.30 ? 36 TRP A CA 1 ATOM 265 C C . TRP A 1 36 ? 214.968 67.400 8.965 1.00 45.76 ? 36 TRP A C 1 ATOM 266 O O . TRP A 1 36 ? 215.127 66.465 8.172 1.00 39.37 ? 36 TRP A O 1 ATOM 267 C CB . TRP A 1 36 ? 213.274 68.872 7.830 1.00 38.95 ? 36 TRP A CB 1 ATOM 268 C CG . TRP A 1 36 ? 212.817 70.271 7.638 1.00 44.17 ? 36 TRP A CG 1 ATOM 269 C CD1 . TRP A 1 36 ? 213.011 71.057 6.538 1.00 40.34 ? 36 TRP A CD1 1 ATOM 270 C CD2 . TRP A 1 36 ? 212.111 71.073 8.588 1.00 49.15 ? 36 TRP A CD2 1 ATOM 271 N NE1 . TRP A 1 36 ? 212.460 72.300 6.741 1.00 44.15 ? 36 TRP A NE1 1 ATOM 272 C CE2 . TRP A 1 36 ? 211.898 72.336 7.990 1.00 48.84 ? 36 TRP A CE2 1 ATOM 273 C CE3 . TRP A 1 36 ? 211.626 70.843 9.882 1.00 32.84 ? 36 TRP A CE3 1 ATOM 274 C CZ2 . TRP A 1 36 ? 211.222 73.365 8.641 1.00 45.40 ? 36 TRP A CZ2 1 ATOM 275 C CZ3 . TRP A 1 36 ? 210.963 71.865 10.531 1.00 44.18 ? 36 TRP A CZ3 1 ATOM 276 C CH2 . TRP A 1 36 ? 210.763 73.115 9.907 1.00 46.30 ? 36 TRP A CH2 1 ATOM 277 N N . VAL A 1 37 ? 215.054 67.261 10.286 1.00 40.51 ? 37 VAL A N 1 ATOM 278 C CA . VAL A 1 37 ? 215.351 65.998 10.951 1.00 31.19 ? 37 VAL A CA 1 ATOM 279 C C . VAL A 1 37 ? 214.284 65.769 12.011 1.00 34.89 ? 37 VAL A C 1 ATOM 280 O O . VAL A 1 37 ? 213.921 66.699 12.738 1.00 41.83 ? 37 VAL A O 1 ATOM 281 C CB . VAL A 1 37 ? 216.757 66.021 11.588 1.00 35.22 ? 37 VAL A CB 1 ATOM 282 C CG1 . VAL A 1 37 ? 217.020 64.754 12.379 1.00 33.87 ? 37 VAL A CG1 1 ATOM 283 C CG2 . VAL A 1 37 ? 217.830 66.228 10.523 1.00 34.10 ? 37 VAL A CG2 1 ATOM 284 N N . ARG A 1 38 ? 213.763 64.546 12.095 1.00 36.19 ? 38 ARG A N 1 ATOM 285 C CA . ARG A 1 38 ? 212.775 64.245 13.122 1.00 45.17 ? 38 ARG A CA 1 ATOM 286 C C . ARG A 1 38 ? 213.280 63.149 14.055 1.00 48.40 ? 38 ARG A C 1 ATOM 287 O O . ARG A 1 38 ? 214.236 62.426 13.752 1.00 38.98 ? 38 ARG A O 1 ATOM 288 C CB . ARG A 1 38 ? 211.428 63.850 12.509 1.00 42.09 ? 38 ARG A CB 1 ATOM 289 C CG . ARG A 1 38 ? 211.381 62.461 11.933 1.00 36.64 ? 38 ARG A CG 1 ATOM 290 C CD . ARG A 1 38 ? 209.958 62.127 11.592 1.00 30.34 ? 38 ARG A CD 1 ATOM 291 N NE . ARG A 1 38 ? 209.792 60.746 11.166 1.00 43.35 ? 38 ARG A NE 1 ATOM 292 C CZ . ARG A 1 38 ? 208.661 60.267 10.661 1.00 48.82 ? 38 ARG A CZ 1 ATOM 293 N NH1 . ARG A 1 38 ? 207.608 61.064 10.509 1.00 47.61 1 38 ARG A NH1 1 ATOM 294 N NH2 . ARG A 1 38 ? 208.586 58.994 10.310 1.00 40.35 ? 38 ARG A NH2 1 ATOM 295 N N . GLN A 1 39 ? 212.627 63.047 15.212 1.00 44.96 ? 39 GLN A N 1 ATOM 296 C CA . GLN A 1 39 ? 213.055 62.128 16.266 1.00 39.99 ? 39 GLN A CA 1 ATOM 297 C C . GLN A 1 39 ? 211.819 61.608 16.989 1.00 32.54 ? 39 GLN A C 1 ATOM 298 O O . GLN A 1 39 ? 211.186 62.354 17.739 1.00 40.25 ? 39 GLN A O 1 ATOM 299 C CB . GLN A 1 39 ? 214.000 62.827 17.242 1.00 41.20 ? 39 GLN A CB 1 ATOM 300 C CG . GLN A 1 39 ? 214.638 61.925 18.292 1.00 40.62 ? 39 GLN A CG 1 ATOM 301 C CD . GLN A 1 39 ? 215.754 62.634 19.056 1.00 45.47 ? 39 GLN A CD 1 ATOM 302 O OE1 . GLN A 1 39 ? 215.616 63.798 19.431 1.00 38.09 ? 39 GLN A OE1 1 ATOM 303 N NE2 . GLN A 1 39 ? 216.872 61.938 19.272 1.00 39.44 ? 39 GLN A NE2 1 ATOM 304 N N . ALA A 1 40 ? 211.471 60.344 16.757 1.00 51.50 ? 40 ALA A N 1 ATOM 305 C CA . ALA A 1 40 ? 210.402 59.722 17.525 1.00 53.51 ? 40 ALA A CA 1 ATOM 306 C C . ALA A 1 40 ? 210.806 59.647 18.997 1.00 59.74 ? 40 ALA A C 1 ATOM 307 O O . ALA A 1 40 ? 211.992 59.507 19.311 1.00 59.92 ? 40 ALA A O 1 ATOM 308 C CB . ALA A 1 40 ? 210.102 58.322 16.992 1.00 37.49 ? 40 ALA A CB 1 ATOM 309 N N . PRO A 1 41 ? 209.842 59.728 19.917 1.00 68.88 ? 41 PRO A N 1 ATOM 310 C CA . PRO A 1 41 ? 210.177 59.749 21.350 1.00 66.82 ? 41 PRO A CA 1 ATOM 311 C C . PRO A 1 41 ? 211.008 58.539 21.762 1.00 57.37 ? 41 PRO A C 1 ATOM 312 O O . PRO A 1 41 ? 210.631 57.389 21.523 1.00 59.38 ? 41 PRO A O 1 ATOM 313 C CB . PRO A 1 41 ? 208.804 59.752 22.031 1.00 66.37 ? 41 PRO A CB 1 ATOM 314 C CG . PRO A 1 41 ? 207.873 59.180 21.000 1.00 71.16 ? 41 PRO A CG 1 ATOM 315 C CD . PRO A 1 41 ? 208.387 59.684 19.693 1.00 68.34 ? 41 PRO A CD 1 ATOM 316 N N . GLY A 1 42 ? 212.158 58.814 22.373 1.00 56.23 ? 42 GLY A N 1 ATOM 317 C CA . GLY A 1 42 ? 213.091 57.776 22.761 1.00 42.44 ? 42 GLY A CA 1 ATOM 318 C C . GLY A 1 42 ? 213.830 57.104 21.627 1.00 52.85 ? 42 GLY A C 1 ATOM 319 O O . GLY A 1 42 ? 214.458 56.063 21.850 1.00 52.39 ? 42 GLY A O 1 ATOM 320 N N . GLN A 1 43 ? 213.790 57.659 20.421 1.00 50.19 ? 43 GLN A N 1 ATOM 321 C CA . GLN A 1 43 ? 214.406 57.032 19.258 1.00 53.11 ? 43 GLN A CA 1 ATOM 322 C C . GLN A 1 43 ? 215.520 57.924 18.722 1.00 43.43 ? 43 GLN A C 1 ATOM 323 O O . GLN A 1 43 ? 215.871 58.943 19.318 1.00 44.29 ? 43 GLN A O 1 ATOM 324 C CB . GLN A 1 43 ? 213.358 56.741 18.179 1.00 63.09 ? 43 GLN A CB 1 ATOM 325 C CG . GLN A 1 43 ? 213.521 55.392 17.498 1.00 69.67 ? 43 GLN A CG 1 ATOM 326 C CD . GLN A 1 43 ? 213.377 54.233 18.470 1.00 82.38 ? 43 GLN A CD 1 ATOM 327 O OE1 . GLN A 1 43 ? 212.719 54.355 19.506 1.00 75.34 ? 43 GLN A OE1 1 ATOM 328 N NE2 . GLN A 1 43 ? 214.003 53.101 18.144 1.00 88.90 ? 43 GLN A NE2 1 ATOM 329 N N . GLY A 1 44 ? 216.073 57.525 17.576 1.00 44.24 ? 44 GLY A N 1 ATOM 330 C CA . GLY A 1 44 ? 217.180 58.225 16.965 1.00 37.57 ? 44 GLY A CA 1 ATOM 331 C C . GLY A 1 44 ? 216.732 59.348 16.051 1.00 46.41 ? 44 GLY A C 1 ATOM 332 O O . GLY A 1 44 ? 215.570 59.758 16.030 1.00 55.53 ? 44 GLY A O 1 ATOM 333 N N . LEU A 1 45 ? 217.691 59.853 15.281 1.00 52.97 ? 45 LEU A N 1 ATOM 334 C CA . LEU A 1 45 ? 217.487 60.988 14.394 1.00 50.25 ? 45 LEU A CA 1 ATOM 335 C C . LEU A 1 45 ? 217.257 60.486 12.973 1.00 51.54 ? 45 LEU A C 1 ATOM 336 O O . LEU A 1 45 ? 218.021 59.659 12.470 1.00 54.17 ? 45 LEU A O 1 ATOM 337 C CB . LEU A 1 45 ? 218.695 61.930 14.446 1.00 47.08 ? 45 LEU A CB 1 ATOM 338 C CG . LEU A 1 45 ? 218.985 62.604 15.795 1.00 43.70 ? 45 LEU A CG 1 ATOM 339 C CD1 . LEU A 1 45 ? 220.364 63.245 15.812 1.00 44.53 ? 45 LEU A CD1 1 ATOM 340 C CD2 . LEU A 1 45 ? 217.920 63.645 16.132 1.00 30.59 ? 45 LEU A CD2 1 ATOM 341 N N . GLU A 1 46 ? 216.206 60.980 12.327 1.00 46.06 ? 46 GLU A N 1 ATOM 342 C CA . GLU A 1 46 ? 215.846 60.542 10.985 1.00 42.72 ? 46 GLU A CA 1 ATOM 343 C C . GLU A 1 46 ? 215.801 61.755 10.071 1.00 48.48 ? 46 GLU A C 1 ATOM 344 O O . GLU A 1 46 ? 214.969 62.652 10.258 1.00 47.79 ? 46 GLU A O 1 ATOM 345 C CB . GLU A 1 46 ? 214.507 59.805 10.987 1.00 47.52 ? 46 GLU A CB 1 ATOM 346 C CG . GLU A 1 46 ? 214.074 59.265 9.629 1.00 58.32 ? 46 GLU A CG 1 ATOM 347 C CD . GLU A 1 46 ? 212.804 58.418 9.721 1.00 73.03 ? 46 GLU A CD 1 ATOM 348 O OE1 . GLU A 1 46 ? 212.532 57.636 8.782 1.00 72.90 ? 46 GLU A OE1 1 ATOM 349 O OE2 . GLU A 1 46 ? 212.082 58.528 10.741 1.00 79.87 -1 46 GLU A OE2 1 ATOM 350 N N . TRP A 1 47 ? 216.705 61.777 9.099 1.00 51.03 ? 47 TRP A N 1 ATOM 351 C CA . TRP A 1 47 ? 216.786 62.854 8.128 1.00 31.66 ? 47 TRP A CA 1 ATOM 352 C C . TRP A 1 47 ? 215.602 62.795 7.169 1.00 39.08 ? 47 TRP A C 1 ATOM 353 O O . TRP A 1 47 ? 215.230 61.725 6.685 1.00 42.02 ? 47 TRP A O 1 ATOM 354 C CB . TRP A 1 47 ? 218.100 62.735 7.366 1.00 32.37 ? 47 TRP A CB 1 ATOM 355 C CG . TRP A 1 47 ? 218.338 63.794 6.398 1.00 44.59 ? 47 TRP A CG 1 ATOM 356 C CD1 . TRP A 1 47 ? 218.784 65.065 6.654 1.00 45.34 ? 47 TRP A CD1 1 ATOM 357 C CD2 . TRP A 1 47 ? 218.169 63.699 4.985 1.00 42.60 ? 47 TRP A CD2 1 ATOM 358 N NE1 . TRP A 1 47 ? 218.890 65.768 5.479 1.00 42.85 ? 47 TRP A NE1 1 ATOM 359 C CE2 . TRP A 1 47 ? 218.523 64.952 4.440 1.00 40.96 ? 47 TRP A CE2 1 ATOM 360 C CE3 . TRP A 1 47 ? 217.745 62.678 4.123 1.00 40.75 ? 47 TRP A CE3 1 ATOM 361 C CZ2 . TRP A 1 47 ? 218.472 65.211 3.073 1.00 47.42 ? 47 TRP A CZ2 1 ATOM 362 C CZ3 . TRP A 1 47 ? 217.690 62.939 2.762 1.00 45.98 ? 47 TRP A CZ3 1 ATOM 363 C CH2 . TRP A 1 47 ? 218.049 64.196 2.252 1.00 52.51 ? 47 TRP A CH2 1 ATOM 364 N N . MET A 1 48 ? 215.005 63.952 6.892 1.00 33.61 ? 48 MET A N 1 ATOM 365 C CA . MET A 1 48 ? 213.835 64.014 6.028 1.00 43.75 ? 48 MET A CA 1 ATOM 366 C C . MET A 1 48 ? 214.103 64.635 4.668 1.00 47.55 ? 48 MET A C 1 ATOM 367 O O . MET A 1 48 ? 213.464 64.239 3.691 1.00 48.19 ? 48 MET A O 1 ATOM 368 C CB . MET A 1 48 ? 212.711 64.799 6.714 1.00 32.11 ? 48 MET A CB 1 ATOM 369 C CG . MET A 1 48 ? 212.277 64.198 8.038 1.00 43.40 ? 48 MET A CG 1 ATOM 370 S SD . MET A 1 48 ? 210.879 65.066 8.758 1.00 51.56 ? 48 MET A SD 1 ATOM 371 C CE . MET A 1 48 ? 209.600 64.668 7.574 1.00 49.14 ? 48 MET A CE 1 ATOM 372 N N . GLY A 1 49 ? 215.012 65.592 4.580 1.00 40.19 ? 49 GLY A N 1 ATOM 373 C CA . GLY A 1 49 ? 215.300 66.222 3.309 1.00 47.72 ? 49 GLY A CA 1 ATOM 374 C C . GLY A 1 49 ? 215.900 67.591 3.508 1.00 44.17 ? 49 GLY A C 1 ATOM 375 O O . GLY A 1 49 ? 215.987 68.107 4.625 1.00 49.26 ? 49 GLY A O 1 ATOM 376 N N . TRP A 1 50 ? 216.323 68.184 2.394 1.00 35.17 ? 50 TRP A N 1 ATOM 377 C CA . TRP A 1 50 ? 216.834 69.541 2.444 1.00 37.14 ? 50 TRP A CA 1 ATOM 378 C C . TRP A 1 50 ? 216.086 70.448 1.477 1.00 39.08 ? 50 TRP A C 1 ATOM 379 O O . TRP A 1 50 ? 215.377 69.998 0.569 1.00 36.04 ? 50 TRP A O 1 ATOM 380 C CB . TRP A 1 50 ? 218.355 69.613 2.188 1.00 34.47 ? 50 TRP A CB 1 ATOM 381 C CG . TRP A 1 50 ? 218.947 69.023 0.916 1.00 36.78 ? 50 TRP A CG 1 ATOM 382 C CD1 . TRP A 1 50 ? 219.760 67.929 0.834 1.00 35.58 ? 50 TRP A CD1 1 ATOM 383 C CD2 . TRP A 1 50 ? 218.857 69.549 -0.428 1.00 43.67 ? 50 TRP A CD2 1 ATOM 384 N NE1 . TRP A 1 50 ? 220.151 67.717 -0.473 1.00 37.01 ? 50 TRP A NE1 1 ATOM 385 C CE2 . TRP A 1 50 ? 219.615 68.700 -1.264 1.00 39.07 ? 50 TRP A CE2 1 ATOM 386 C CE3 . TRP A 1 50 ? 218.202 70.645 -1.002 1.00 36.72 ? 50 TRP A CE3 1 ATOM 387 C CZ2 . TRP A 1 50 ? 219.732 68.913 -2.641 1.00 38.04 ? 50 TRP A CZ2 1 ATOM 388 C CZ3 . TRP A 1 50 ? 218.312 70.850 -2.373 1.00 45.88 ? 50 TRP A CZ3 1 ATOM 389 C CH2 . TRP A 1 50 ? 219.069 69.988 -3.176 1.00 38.38 ? 50 TRP A CH2 1 ATOM 390 N N . ILE A 1 51 ? 216.240 71.747 1.719 1.00 35.05 ? 51 ILE A N 1 ATOM 391 C CA . ILE A 1 51 ? 215.706 72.789 0.859 1.00 37.32 ? 51 ILE A CA 1 ATOM 392 C C . ILE A 1 51 ? 216.791 73.833 0.659 1.00 39.60 ? 51 ILE A C 1 ATOM 393 O O . ILE A 1 51 ? 217.531 74.162 1.593 1.00 39.97 ? 51 ILE A O 1 ATOM 394 C CB . ILE A 1 51 ? 214.425 73.433 1.436 1.00 39.85 ? 51 ILE A CB 1 ATOM 395 C CG1 . ILE A 1 51 ? 213.853 74.436 0.442 1.00 37.22 ? 51 ILE A CG1 1 ATOM 396 C CG2 . ILE A 1 51 ? 214.712 74.123 2.770 1.00 38.18 ? 51 ILE A CG2 1 ATOM 397 C CD1 . ILE A 1 51 ? 212.495 74.961 0.818 1.00 42.82 ? 51 ILE A CD1 1 ATOM 398 N N . ASN A 1 52 ? 216.894 74.329 -0.572 1.00 50.12 ? 52 ASN A N 1 ATOM 399 C CA . ASN A 1 52 ? 217.774 75.437 -0.914 1.00 37.87 ? 52 ASN A CA 1 ATOM 400 C C . ASN A 1 52 ? 216.964 76.720 -0.793 1.00 50.51 ? 52 ASN A C 1 ATOM 401 O O . ASN A 1 52 ? 216.054 76.938 -1.606 1.00 53.66 ? 52 ASN A O 1 ATOM 402 C CB . ASN A 1 52 ? 218.303 75.262 -2.331 1.00 38.76 ? 52 ASN A CB 1 ATOM 403 C CG . ASN A 1 52 ? 219.248 76.361 -2.763 1.00 48.69 ? 52 ASN A CG 1 ATOM 404 O OD1 . ASN A 1 52 ? 219.269 77.457 -2.209 1.00 63.55 ? 52 ASN A OD1 1 ATOM 405 N ND2 . ASN A 1 52 ? 220.030 76.070 -3.788 1.00 54.97 ? 52 ASN A ND2 1 ATOM 406 N N . PRO A 1 53 A 217.244 77.587 0.186 1.00 49.73 ? 52 PRO A N 1 ATOM 407 C CA . PRO A 1 53 A 216.433 78.808 0.338 1.00 45.61 ? 52 PRO A CA 1 ATOM 408 C C . PRO A 1 53 A 216.558 79.778 -0.822 1.00 51.42 ? 52 PRO A C 1 ATOM 409 O O . PRO A 1 53 A 215.676 80.631 -0.994 1.00 58.38 ? 52 PRO A O 1 ATOM 410 C CB . PRO A 1 53 A 216.969 79.432 1.636 1.00 48.10 ? 52 PRO A CB 1 ATOM 411 C CG . PRO A 1 53 A 217.710 78.333 2.322 1.00 50.22 ? 52 PRO A CG 1 ATOM 412 C CD . PRO A 1 53 A 218.265 77.470 1.236 1.00 51.04 ? 52 PRO A CD 1 ATOM 413 N N . ASN A 1 54 ? 217.622 79.688 -1.620 1.00 49.34 ? 53 ASN A N 1 ATOM 414 C CA . ASN A 1 54 ? 217.787 80.634 -2.716 1.00 45.84 ? 53 ASN A CA 1 ATOM 415 C C . ASN A 1 54 ? 216.834 80.317 -3.865 1.00 46.43 ? 53 ASN A C 1 ATOM 416 O O . ASN A 1 54 ? 216.205 81.220 -4.429 1.00 55.74 ? 53 ASN A O 1 ATOM 417 C CB . ASN A 1 54 ? 219.241 80.627 -3.191 1.00 44.41 ? 53 ASN A CB 1 ATOM 418 C CG . ASN A 1 54 ? 219.636 81.920 -3.869 1.00 45.69 ? 53 ASN A CG 1 ATOM 419 O OD1 . ASN A 1 54 ? 219.035 82.964 -3.630 1.00 60.60 ? 53 ASN A OD1 1 ATOM 420 N ND2 . ASN A 1 54 ? 220.652 81.860 -4.721 1.00 46.37 ? 53 ASN A ND2 1 ATOM 421 N N . SER A 1 55 ? 216.692 79.037 -4.204 1.00 42.28 ? 54 SER A N 1 ATOM 422 C CA . SER A 1 55 ? 215.867 78.604 -5.322 1.00 54.29 ? 54 SER A CA 1 ATOM 423 C C . SER A 1 55 ? 214.569 77.927 -4.912 1.00 53.58 ? 54 SER A C 1 ATOM 424 O O . SER A 1 55 ? 213.679 77.783 -5.756 1.00 48.12 ? 54 SER A O 1 ATOM 425 C CB . SER A 1 55 ? 216.646 77.619 -6.202 1.00 46.18 ? 54 SER A CB 1 ATOM 426 O OG . SER A 1 55 ? 216.946 76.446 -5.459 1.00 41.85 ? 54 SER A OG 1 ATOM 427 N N . GLY A 1 56 ? 214.447 77.490 -3.660 1.00 49.42 ? 55 GLY A N 1 ATOM 428 C CA . GLY A 1 56 ? 213.330 76.667 -3.259 1.00 49.55 ? 55 GLY A CA 1 ATOM 429 C C . GLY A 1 56 ? 213.429 75.219 -3.686 1.00 51.55 ? 55 GLY A C 1 ATOM 430 O O . GLY A 1 56 ? 212.484 74.456 -3.446 1.00 47.00 ? 55 GLY A O 1 ATOM 431 N N . GLY A 1 57 ? 214.532 74.820 -4.318 1.00 47.41 ? 56 GLY A N 1 ATOM 432 C CA . GLY A 1 57 ? 214.713 73.424 -4.664 1.00 40.76 ? 56 GLY A CA 1 ATOM 433 C C . GLY A 1 57 ? 214.834 72.549 -3.431 1.00 49.88 ? 56 GLY A C 1 ATOM 434 O O . GLY A 1 57 ? 215.311 72.968 -2.376 1.00 40.54 ? 56 GLY A O 1 ATOM 435 N N . THR A 1 58 ? 214.382 71.309 -3.567 1.00 39.49 ? 57 THR A N 1 ATOM 436 C CA . THR A 1 58 ? 214.295 70.404 -2.441 1.00 50.70 ? 57 THR A CA 1 ATOM 437 C C . THR A 1 58 ? 214.798 69.029 -2.849 1.00 50.49 ? 57 THR A C 1 ATOM 438 O O . THR A 1 58 ? 214.837 68.677 -4.030 1.00 42.34 ? 57 THR A O 1 ATOM 439 C CB . THR A 1 58 ? 212.856 70.290 -1.921 1.00 51.43 ? 57 THR A CB 1 ATOM 440 O OG1 . THR A 1 58 ? 212.010 69.809 -2.973 1.00 43.22 ? 57 THR A OG1 1 ATOM 441 C CG2 . THR A 1 58 ? 212.349 71.638 -1.438 1.00 38.44 ? 57 THR A CG2 1 ATOM 442 N N . ASN A 1 59 ? 215.165 68.245 -1.841 1.00 43.72 ? 58 ASN A N 1 ATOM 443 C CA . ASN A 1 59 ? 215.569 66.858 -2.048 1.00 40.56 ? 58 ASN A CA 1 ATOM 444 C C . ASN A 1 59 ? 215.116 66.092 -0.808 1.00 48.21 ? 58 ASN A C 1 ATOM 445 O O . ASN A 1 59 ? 215.724 66.224 0.257 1.00 44.39 ? 58 ASN A O 1 ATOM 446 C CB . ASN A 1 59 ? 217.070 66.757 -2.265 1.00 42.45 ? 58 ASN A CB 1 ATOM 447 C CG . ASN A 1 59 ? 217.517 65.359 -2.635 1.00 46.97 ? 58 ASN A CG 1 ATOM 448 O OD1 . ASN A 1 59 ? 216.711 64.435 -2.729 1.00 50.96 ? 58 ASN A OD1 1 ATOM 449 N ND2 . ASN A 1 59 ? 218.816 65.203 -2.865 1.00 44.77 ? 58 ASN A ND2 1 ATOM 450 N N . TYR A 1 60 ? 214.036 65.329 -0.949 1.00 47.99 ? 59 TYR A N 1 ATOM 451 C CA . TYR A 1 60 ? 213.444 64.599 0.161 1.00 39.43 ? 59 TYR A CA 1 ATOM 452 C C . TYR A 1 60 ? 214.001 63.189 0.222 1.00 45.39 ? 59 TYR A C 1 ATOM 453 O O . TYR A 1 60 ? 214.334 62.588 -0.803 1.00 42.99 ? 59 TYR A O 1 ATOM 454 C CB . TYR A 1 60 ? 211.924 64.521 0.020 1.00 37.67 ? 59 TYR A CB 1 ATOM 455 C CG . TYR A 1 60 ? 211.270 65.846 -0.253 1.00 41.06 ? 59 TYR A CG 1 ATOM 456 C CD1 . TYR A 1 60 ? 211.535 66.949 0.546 1.00 40.57 ? 59 TYR A CD1 1 ATOM 457 C CD2 . TYR A 1 60 ? 210.401 66.002 -1.321 1.00 47.32 ? 59 TYR A CD2 1 ATOM 458 C CE1 . TYR A 1 60 ? 210.941 68.168 0.296 1.00 43.71 ? 59 TYR A CE1 1 ATOM 459 C CE2 . TYR A 1 60 ? 209.797 67.214 -1.578 1.00 47.64 ? 59 TYR A CE2 1 ATOM 460 C CZ . TYR A 1 60 ? 210.075 68.293 -0.770 1.00 45.81 ? 59 TYR A CZ 1 ATOM 461 O OH . TYR A 1 60 ? 209.478 69.499 -1.025 1.00 48.26 ? 59 TYR A OH 1 ATOM 462 N N . ALA A 1 61 ? 214.095 62.661 1.440 1.00 40.24 ? 60 ALA A N 1 ATOM 463 C CA . ALA A 1 61 ? 214.340 61.237 1.595 1.00 52.24 ? 60 ALA A CA 1 ATOM 464 C C . ALA A 1 61 ? 213.174 60.463 0.995 1.00 51.15 ? 60 ALA A C 1 ATOM 465 O O . ALA A 1 61 ? 212.020 60.897 1.066 1.00 42.36 ? 60 ALA A O 1 ATOM 466 C CB . ALA A 1 61 ? 214.520 60.880 3.070 1.00 35.85 ? 60 ALA A CB 1 ATOM 467 N N . GLN A 1 62 ? 213.480 59.307 0.399 1.00 56.81 ? 61 GLN A N 1 ATOM 468 C CA . GLN A 1 62 ? 212.469 58.564 -0.344 1.00 40.81 ? 61 GLN A CA 1 ATOM 469 C C . GLN A 1 62 ? 211.278 58.165 0.514 1.00 52.11 ? 61 GLN A C 1 ATOM 470 O O . GLN A 1 62 ? 210.166 58.060 -0.016 1.00 54.19 ? 61 GLN A O 1 ATOM 471 C CB . GLN A 1 62 ? 213.089 57.331 -0.982 1.00 47.41 ? 61 GLN A CB 1 ATOM 472 C CG . GLN A 1 62 ? 213.930 57.675 -2.187 1.00 72.41 ? 61 GLN A CG 1 ATOM 473 C CD . GLN A 1 62 ? 214.192 56.475 -3.064 1.00 86.02 ? 61 GLN A CD 1 ATOM 474 O OE1 . GLN A 1 62 ? 213.284 55.688 -3.338 1.00 90.19 ? 61 GLN A OE1 1 ATOM 475 N NE2 . GLN A 1 62 ? 215.443 56.315 -3.497 1.00 79.95 ? 61 GLN A NE2 1 ATOM 476 N N . LYS A 1 63 ? 211.480 57.966 1.824 1.00 58.32 ? 62 LYS A N 1 ATOM 477 C CA . LYS A 1 63 ? 210.378 57.599 2.711 1.00 55.60 ? 62 LYS A CA 1 ATOM 478 C C . LYS A 1 63 ? 209.231 58.605 2.638 1.00 54.79 ? 62 LYS A C 1 ATOM 479 O O . LYS A 1 63 ? 208.059 58.219 2.679 1.00 58.32 ? 62 LYS A O 1 ATOM 480 C CB . LYS A 1 63 ? 210.878 57.481 4.152 1.00 49.78 ? 62 LYS A CB 1 ATOM 481 C CG . LYS A 1 63 ? 211.263 56.085 4.579 1.00 47.21 ? 62 LYS A CG 1 ATOM 482 N N . PHE A 1 64 ? 209.544 59.893 2.506 1.00 54.65 ? 63 PHE A N 1 ATOM 483 C CA . PHE A 1 64 ? 208.549 60.949 2.634 1.00 51.16 ? 63 PHE A CA 1 ATOM 484 C C . PHE A 1 64 ? 208.100 61.543 1.303 1.00 53.87 ? 63 PHE A C 1 ATOM 485 O O . PHE A 1 64 ? 207.188 62.380 1.300 1.00 52.99 ? 63 PHE A O 1 ATOM 486 C CB . PHE A 1 64 ? 209.084 62.058 3.553 1.00 49.55 ? 63 PHE A CB 1 ATOM 487 C CG . PHE A 1 64 ? 209.532 61.556 4.901 1.00 55.70 ? 63 PHE A CG 1 ATOM 488 C CD1 . PHE A 1 64 ? 208.601 61.173 5.858 1.00 57.27 ? 63 PHE A CD1 1 ATOM 489 C CD2 . PHE A 1 64 ? 210.883 61.449 5.208 1.00 56.70 ? 63 PHE A CD2 1 ATOM 490 C CE1 . PHE A 1 64 ? 209.009 60.696 7.098 1.00 60.07 ? 63 PHE A CE1 1 ATOM 491 C CE2 . PHE A 1 64 ? 211.298 60.973 6.450 1.00 49.21 ? 63 PHE A CE2 1 ATOM 492 C CZ . PHE A 1 64 ? 210.358 60.597 7.392 1.00 55.07 ? 63 PHE A CZ 1 ATOM 493 N N . GLN A 1 65 ? 208.700 61.133 0.180 1.00 49.98 ? 64 GLN A N 1 ATOM 494 C CA . GLN A 1 65 ? 208.233 61.551 -1.141 1.00 52.56 ? 64 GLN A CA 1 ATOM 495 C C . GLN A 1 65 ? 206.730 61.357 -1.275 1.00 54.85 ? 64 GLN A C 1 ATOM 496 O O . GLN A 1 65 ? 206.215 60.256 -1.070 1.00 70.86 ? 64 GLN A O 1 ATOM 497 C CB . GLN A 1 65 ? 208.951 60.758 -2.233 1.00 43.07 ? 64 GLN A CB 1 ATOM 498 C CG . GLN A 1 65 ? 210.122 61.475 -2.861 1.00 64.17 ? 64 GLN A CG 1 ATOM 499 C CD . GLN A 1 65 ? 209.712 62.685 -3.676 1.00 55.45 ? 64 GLN A CD 1 ATOM 500 O OE1 . GLN A 1 65 ? 208.623 62.727 -4.250 1.00 51.92 ? 64 GLN A OE1 1 ATOM 501 N NE2 . GLN A 1 65 ? 210.588 63.681 -3.728 1.00 54.29 ? 64 GLN A NE2 1 ATOM 502 N N . GLY A 1 66 ? 206.028 62.429 -1.631 1.00 51.32 ? 65 GLY A N 1 ATOM 503 C CA . GLY A 1 66 ? 204.595 62.417 -1.768 1.00 54.18 ? 65 GLY A CA 1 ATOM 504 C C . GLY A 1 66 ? 203.854 62.946 -0.557 1.00 58.77 ? 65 GLY A C 1 ATOM 505 O O . GLY A 1 66 ? 202.758 63.498 -0.707 1.00 69.71 ? 65 GLY A O 1 ATOM 506 N N . ARG A 1 67 ? 204.426 62.798 0.638 1.00 45.75 ? 66 ARG A N 1 ATOM 507 C CA . ARG A 1 67 ? 203.795 63.301 1.851 1.00 50.91 ? 66 ARG A CA 1 ATOM 508 C C . ARG A 1 67 ? 204.413 64.592 2.357 1.00 58.68 ? 66 ARG A C 1 ATOM 509 O O . ARG A 1 67 ? 203.709 65.403 2.967 1.00 66.73 ? 66 ARG A O 1 ATOM 510 C CB . ARG A 1 67 ? 203.868 62.260 2.974 1.00 61.24 ? 66 ARG A CB 1 ATOM 511 C CG . ARG A 1 67 ? 203.257 60.922 2.631 1.00 59.56 ? 66 ARG A CG 1 ATOM 512 C CD . ARG A 1 67 ? 202.746 60.214 3.873 1.00 54.36 ? 66 ARG A CD 1 ATOM 513 N NE . ARG A 1 67 ? 203.818 59.783 4.767 1.00 57.50 ? 66 ARG A NE 1 ATOM 514 C CZ . ARG A 1 67 ? 203.954 60.182 6.030 1.00 54.13 ? 66 ARG A CZ 1 ATOM 515 N NH1 . ARG A 1 67 ? 203.088 61.031 6.568 1.00 54.26 1 66 ARG A NH1 1 ATOM 516 N NH2 . ARG A 1 67 ? 204.958 59.726 6.761 1.00 48.29 ? 66 ARG A NH2 1 ATOM 517 N N . VAL A 1 68 ? 205.703 64.801 2.131 1.00 51.84 ? 67 VAL A N 1 ATOM 518 C CA . VAL A 1 68 ? 206.407 65.955 2.674 1.00 52.13 ? 67 VAL A CA 1 ATOM 519 C C . VAL A 1 68 ? 206.476 67.044 1.611 1.00 52.49 ? 67 VAL A C 1 ATOM 520 O O . VAL A 1 68 ? 206.581 66.774 0.409 1.00 57.86 ? 67 VAL A O 1 ATOM 521 C CB . VAL A 1 68 ? 207.816 65.566 3.174 1.00 51.90 ? 67 VAL A CB 1 ATOM 522 C CG1 . VAL A 1 68 ? 208.735 65.284 2.002 1.00 46.14 ? 67 VAL A CG1 1 ATOM 523 C CG2 . VAL A 1 68 ? 208.395 66.661 4.054 1.00 52.93 ? 67 VAL A CG2 1 ATOM 524 N N . THR A 1 69 ? 206.393 68.294 2.061 1.00 49.30 ? 68 THR A N 1 ATOM 525 C CA . THR A 1 69 ? 206.585 69.455 1.199 1.00 51.92 ? 68 THR A CA 1 ATOM 526 C C . THR A 1 69 ? 207.346 70.513 1.983 1.00 56.51 ? 68 THR A C 1 ATOM 527 O O . THR A 1 69 ? 206.854 71.000 3.007 1.00 55.41 ? 68 THR A O 1 ATOM 528 C CB . THR A 1 69 ? 205.248 70.016 0.706 1.00 48.96 ? 68 THR A CB 1 ATOM 529 O OG1 . THR A 1 69 ? 204.463 68.962 0.139 1.00 60.05 ? 68 THR A OG1 1 ATOM 530 C CG2 . THR A 1 69 ? 205.492 71.080 -0.348 1.00 41.91 ? 68 THR A CG2 1 ATOM 531 N N . MET A 1 70 ? 208.542 70.862 1.516 1.00 51.50 ? 69 MET A N 1 ATOM 532 C CA . MET A 1 70 ? 209.345 71.910 2.134 1.00 37.07 ? 69 MET A CA 1 ATOM 533 C C . MET A 1 70 ? 209.303 73.166 1.273 1.00 48.85 ? 69 MET A C 1 ATOM 534 O O . MET A 1 70 ? 209.508 73.099 0.056 1.00 47.61 ? 69 MET A O 1 ATOM 535 C CB . MET A 1 70 ? 210.789 71.456 2.327 1.00 36.05 ? 69 MET A CB 1 ATOM 536 C CG . MET A 1 70 ? 210.937 70.248 3.222 1.00 35.07 ? 69 MET A CG 1 ATOM 537 S SD . MET A 1 70 ? 212.624 69.620 3.245 1.00 49.36 ? 69 MET A SD 1 ATOM 538 C CE . MET A 1 70 ? 212.442 68.212 4.339 1.00 43.47 ? 69 MET A CE 1 ATOM 539 N N . THR A 1 71 ? 209.026 74.302 1.909 1.00 38.30 ? 70 THR A N 1 ATOM 540 C CA . THR A 1 71 ? 208.982 75.604 1.267 1.00 39.45 ? 70 THR A CA 1 ATOM 541 C C . THR A 1 71 ? 209.713 76.598 2.156 1.00 45.88 ? 70 THR A C 1 ATOM 542 O O . THR A 1 71 ? 210.159 76.266 3.260 1.00 44.32 ? 70 THR A O 1 ATOM 543 C CB . THR A 1 71 ? 207.540 76.068 1.008 1.00 40.92 ? 70 THR A CB 1 ATOM 544 O OG1 . THR A 1 71 ? 206.804 76.056 2.236 1.00 60.26 ? 70 THR A OG1 1 ATOM 545 C CG2 . THR A 1 71 ? 206.857 75.160 0.014 1.00 41.82 ? 70 THR A CG2 1 ATOM 546 N N . ARG A 1 72 ? 209.846 77.827 1.665 1.00 39.95 ? 71 ARG A N 1 ATOM 547 C CA . ARG A 1 72 ? 210.429 78.881 2.476 1.00 46.90 ? 71 ARG A CA 1 ATOM 548 C C . ARG A 1 72 ? 209.920 80.215 1.961 1.00 47.63 ? 71 ARG A C 1 ATOM 549 O O . ARG A 1 72 ? 209.483 80.329 0.816 1.00 46.65 ? 71 ARG A O 1 ATOM 550 C CB . ARG A 1 72 ? 211.960 78.846 2.450 1.00 47.54 ? 71 ARG A CB 1 ATOM 551 C CG . ARG A 1 72 ? 212.586 79.657 1.329 1.00 45.86 ? 71 ARG A CG 1 ATOM 552 C CD . ARG A 1 72 ? 212.625 78.894 0.024 1.00 40.43 ? 71 ARG A CD 1 ATOM 553 N NE . ARG A 1 72 ? 213.203 79.720 -1.032 1.00 51.72 ? 71 ARG A NE 1 ATOM 554 C CZ . ARG A 1 72 ? 212.560 80.106 -2.129 1.00 55.11 ? 71 ARG A CZ 1 ATOM 555 N NH1 . ARG A 1 72 ? 211.308 79.724 -2.351 1.00 57.27 1 71 ARG A NH1 1 ATOM 556 N NH2 . ARG A 1 72 ? 213.182 80.862 -3.021 1.00 52.84 ? 71 ARG A NH2 1 ATOM 557 N N . ASP A 1 73 ? 209.970 81.218 2.835 1.00 54.29 ? 72 ASP A N 1 ATOM 558 C CA . ASP A 1 73 ? 209.644 82.600 2.496 1.00 55.75 ? 72 ASP A CA 1 ATOM 559 C C . ASP A 1 73 ? 210.867 83.444 2.827 1.00 57.66 ? 72 ASP A C 1 ATOM 560 O O . ASP A 1 73 ? 211.130 83.731 4.000 1.00 62.50 ? 72 ASP A O 1 ATOM 561 C CB . ASP A 1 73 ? 208.414 83.087 3.259 1.00 64.02 ? 72 ASP A CB 1 ATOM 562 C CG . ASP A 1 73 ? 207.901 84.425 2.751 1.00 81.62 ? 72 ASP A CG 1 ATOM 563 O OD1 . ASP A 1 73 ? 208.652 85.136 2.044 1.00 81.45 ? 72 ASP A OD1 1 ATOM 564 O OD2 . ASP A 1 73 ? 206.738 84.767 3.060 1.00 96.52 -1 72 ASP A OD2 1 ATOM 565 N N . THR A 1 74 ? 211.608 83.843 1.791 1.00 53.53 ? 73 THR A N 1 ATOM 566 C CA . THR A 1 74 ? 212.847 84.584 2.004 1.00 56.34 ? 73 THR A CA 1 ATOM 567 C C . THR A 1 74 ? 212.609 85.957 2.630 1.00 63.35 ? 73 THR A C 1 ATOM 568 O O . THR A 1 74 ? 213.486 86.467 3.336 1.00 71.45 ? 73 THR A O 1 ATOM 569 C CB . THR A 1 74 ? 213.600 84.732 0.682 1.00 53.77 ? 73 THR A CB 1 ATOM 570 O OG1 . THR A 1 74 ? 212.701 85.213 -0.325 1.00 58.73 ? 73 THR A OG1 1 ATOM 571 C CG2 . THR A 1 74 ? 214.187 83.392 0.243 1.00 43.57 ? 73 THR A CG2 1 ATOM 572 N N . SER A 1 75 ? 211.443 86.569 2.394 1.00 60.78 ? 74 SER A N 1 ATOM 573 C CA . SER A 1 75 ? 211.193 87.911 2.915 1.00 68.64 ? 74 SER A CA 1 ATOM 574 C C . SER A 1 75 ? 211.043 87.937 4.434 1.00 74.65 ? 74 SER A C 1 ATOM 575 O O . SER A 1 75 ? 211.245 88.992 5.044 1.00 77.67 ? 74 SER A O 1 ATOM 576 C CB . SER A 1 75 ? 209.950 88.517 2.249 1.00 69.54 ? 74 SER A CB 1 ATOM 577 O OG . SER A 1 75 ? 208.813 87.680 2.384 1.00 70.72 ? 74 SER A OG 1 ATOM 578 N N . ILE A 1 76 ? 210.698 86.811 5.058 1.00 71.72 ? 75 ILE A N 1 ATOM 579 C CA . ILE A 1 76 ? 210.621 86.704 6.508 1.00 59.16 ? 75 ILE A CA 1 ATOM 580 C C . ILE A 1 76 ? 211.590 85.660 7.054 1.00 64.69 ? 75 ILE A C 1 ATOM 581 O O . ILE A 1 76 ? 211.534 85.328 8.238 1.00 67.86 ? 75 ILE A O 1 ATOM 582 C CB . ILE A 1 76 ? 209.180 86.413 6.971 1.00 57.07 ? 75 ILE A CB 1 ATOM 583 C CG1 . ILE A 1 76 ? 208.723 85.046 6.467 1.00 61.79 ? 75 ILE A CG1 1 ATOM 584 C CG2 . ILE A 1 76 ? 208.232 87.481 6.462 1.00 48.44 ? 75 ILE A CG2 1 ATOM 585 C CD1 . ILE A 1 76 ? 207.305 84.695 6.867 1.00 48.14 ? 75 ILE A CD1 1 ATOM 586 N N . SER A 1 77 ? 212.479 85.136 6.205 1.00 67.51 ? 76 SER A N 1 ATOM 587 C CA . SER A 1 77 ? 213.542 84.210 6.614 1.00 61.12 ? 76 SER A CA 1 ATOM 588 C C . SER A 1 77 ? 212.982 82.992 7.340 1.00 52.42 ? 76 SER A C 1 ATOM 589 O O . SER A 1 77 ? 213.504 82.575 8.374 1.00 58.66 ? 76 SER A O 1 ATOM 590 C CB . SER A 1 77 ? 214.584 84.916 7.482 1.00 66.06 ? 76 SER A CB 1 ATOM 591 O OG . SER A 1 77 ? 214.986 86.140 6.895 1.00 79.58 ? 76 SER A OG 1 ATOM 592 N N . THR A 1 78 ? 211.915 82.411 6.793 1.00 47.85 ? 77 THR A N 1 ATOM 593 C CA . THR A 1 78 ? 211.191 81.325 7.442 1.00 51.42 ? 77 THR A CA 1 ATOM 594 C C . THR A 1 78 ? 211.094 80.131 6.505 1.00 49.65 ? 77 THR A C 1 ATOM 595 O O . THR A 1 78 ? 210.723 80.277 5.334 1.00 45.94 ? 77 THR A O 1 ATOM 596 C CB . THR A 1 78 ? 209.786 81.768 7.863 1.00 50.95 ? 77 THR A CB 1 ATOM 597 O OG1 . THR A 1 78 ? 209.878 82.923 8.706 1.00 61.02 ? 77 THR A OG1 1 ATOM 598 C CG2 . THR A 1 78 ? 209.098 80.661 8.623 1.00 44.75 ? 77 THR A CG2 1 ATOM 599 N N . ALA A 1 79 ? 211.430 78.958 7.023 1.00 40.82 ? 78 ALA A N 1 ATOM 600 C CA . ALA A 1 79 ? 211.334 77.707 6.291 1.00 39.57 ? 78 ALA A CA 1 ATOM 601 C C . ALA A 1 79 ? 210.161 76.900 6.827 1.00 48.09 ? 78 ALA A C 1 ATOM 602 O O . ALA A 1 79 ? 209.856 76.932 8.021 1.00 55.05 ? 78 ALA A O 1 ATOM 603 C CB . ALA A 1 79 ? 212.628 76.901 6.411 1.00 35.27 ? 78 ALA A CB 1 ATOM 604 N N . TYR A 1 80 ? 209.499 76.180 5.934 1.00 41.87 ? 79 TYR A N 1 ATOM 605 C CA . TYR A 1 80 ? 208.293 75.451 6.281 1.00 36.32 ? 79 TYR A CA 1 ATOM 606 C C . TYR A 1 80 ? 208.443 73.990 5.909 1.00 48.98 ? 79 TYR A C 1 ATOM 607 O O . TYR A 1 80 ? 208.975 73.651 4.845 1.00 46.80 ? 79 TYR A O 1 ATOM 608 C CB . TYR A 1 80 ? 207.057 76.023 5.582 1.00 37.91 ? 79 TYR A CB 1 ATOM 609 C CG . TYR A 1 80 ? 206.805 77.484 5.879 1.00 53.46 ? 79 TYR A CG 1 ATOM 610 C CD1 . TYR A 1 80 ? 207.101 78.470 4.937 1.00 51.31 ? 79 TYR A CD1 1 ATOM 611 C CD2 . TYR A 1 80 ? 206.263 77.878 7.099 1.00 53.60 ? 79 TYR A CD2 1 ATOM 612 C CE1 . TYR A 1 80 ? 206.864 79.811 5.209 1.00 57.59 ? 79 TYR A CE1 1 ATOM 613 C CE2 . TYR A 1 80 ? 206.019 79.209 7.376 1.00 58.72 ? 79 TYR A CE2 1 ATOM 614 C CZ . TYR A 1 80 ? 206.324 80.172 6.432 1.00 59.73 ? 79 TYR A CZ 1 ATOM 615 O OH . TYR A 1 80 ? 206.085 81.497 6.718 1.00 62.69 ? 79 TYR A OH 1 ATOM 616 N N . MET A 1 81 ? 207.971 73.132 6.802 1.00 40.30 ? 80 MET A N 1 ATOM 617 C CA . MET A 1 81 ? 207.887 71.707 6.549 1.00 40.08 ? 80 MET A CA 1 ATOM 618 C C . MET A 1 81 ? 206.436 71.307 6.753 1.00 43.04 ? 80 MET A C 1 ATOM 619 O O . MET A 1 81 ? 205.847 71.608 7.795 1.00 54.01 ? 80 MET A O 1 ATOM 620 C CB . MET A 1 81 ? 208.829 70.936 7.478 1.00 42.90 ? 80 MET A CB 1 ATOM 621 C CG . MET A 1 81 ? 209.082 69.485 7.076 1.00 56.23 ? 80 MET A CG 1 ATOM 622 S SD . MET A 1 81 ? 207.726 68.378 7.522 1.00 66.28 ? 80 MET A SD 1 ATOM 623 C CE . MET A 1 81 ? 207.657 68.613 9.300 1.00 59.28 ? 80 MET A CE 1 ATOM 624 N N . GLU A 1 82 ? 205.849 70.666 5.753 1.00 44.12 ? 81 GLU A N 1 ATOM 625 C CA . GLU A 1 82 ? 204.476 70.193 5.835 1.00 53.06 ? 81 GLU A CA 1 ATOM 626 C C . GLU A 1 82 ? 204.472 68.696 5.583 1.00 48.02 ? 81 GLU A C 1 ATOM 627 O O . GLU A 1 82 ? 204.993 68.232 4.564 1.00 48.54 ? 81 GLU A O 1 ATOM 628 C CB . GLU A 1 82 ? 203.570 70.910 4.836 1.00 59.54 ? 81 GLU A CB 1 ATOM 629 C CG . GLU A 1 82 ? 202.214 70.248 4.694 1.00 73.11 ? 81 GLU A CG 1 ATOM 630 C CD . GLU A 1 82 ? 201.230 71.092 3.916 1.00 88.46 ? 81 GLU A CD 1 ATOM 631 O OE1 . GLU A 1 82 ? 201.551 72.265 3.623 1.00 86.65 ? 81 GLU A OE1 1 ATOM 632 O OE2 . GLU A 1 82 ? 200.134 70.581 3.600 1.00 100.75 -1 81 GLU A OE2 1 ATOM 633 N N . LEU A 1 83 ? 203.911 67.947 6.522 1.00 47.59 ? 82 LEU A N 1 ATOM 634 C CA . LEU A 1 83 ? 203.766 66.507 6.404 1.00 45.08 ? 82 LEU A CA 1 ATOM 635 C C . LEU A 1 83 ? 202.280 66.197 6.319 1.00 50.99 ? 82 LEU A C 1 ATOM 636 O O . LEU A 1 83 ? 201.487 66.722 7.110 1.00 55.68 ? 82 LEU A O 1 ATOM 637 C CB . LEU A 1 83 ? 204.412 65.793 7.594 1.00 36.89 ? 82 LEU A CB 1 ATOM 638 C CG . LEU A 1 83 ? 204.583 64.284 7.422 1.00 50.74 ? 82 LEU A CG 1 ATOM 639 C CD1 . LEU A 1 83 ? 205.496 63.987 6.234 1.00 44.68 ? 82 LEU A CD1 1 ATOM 640 C CD2 . LEU A 1 83 ? 205.105 63.630 8.697 1.00 45.08 ? 82 LEU A CD2 1 ATOM 641 N N . SER A 1 84 A 201.897 65.379 5.347 1.00 55.57 ? 82 SER A N 1 ATOM 642 C CA . SER A 1 84 A 200.491 65.102 5.103 1.00 64.27 ? 82 SER A CA 1 ATOM 643 C C . SER A 1 84 A 200.222 63.607 5.211 1.00 61.89 ? 82 SER A C 1 ATOM 644 O O . SER A 1 84 A 201.143 62.784 5.223 1.00 61.27 ? 82 SER A O 1 ATOM 645 C CB . SER A 1 84 A 200.048 65.629 3.731 1.00 67.37 ? 82 SER A CB 1 ATOM 646 O OG . SER A 1 84 A 200.456 64.763 2.687 1.00 73.28 ? 82 SER A OG 1 ATOM 647 N N . ARG A 1 85 B 198.934 63.270 5.298 1.00 63.50 ? 82 ARG A N 1 ATOM 648 C CA . ARG A 1 85 B 198.475 61.894 5.463 1.00 57.49 ? 82 ARG A CA 1 ATOM 649 C C . ARG A 1 85 B 199.129 61.240 6.684 1.00 58.09 ? 82 ARG A C 1 ATOM 650 O O . ARG A 1 85 B 199.787 60.198 6.598 1.00 56.25 ? 82 ARG A O 1 ATOM 651 C CB . ARG A 1 85 B 198.721 61.097 4.180 1.00 52.14 ? 82 ARG A CB 1 ATOM 652 C CG . ARG A 1 85 B 197.725 61.440 3.098 1.00 52.93 ? 82 ARG A CG 1 ATOM 653 C CD . ARG A 1 85 B 198.031 60.735 1.792 1.00 69.44 ? 82 ARG A CD 1 ATOM 654 N NE . ARG A 1 85 B 198.890 61.545 0.932 1.00 84.51 ? 82 ARG A NE 1 ATOM 655 C CZ . ARG A 1 85 B 200.106 61.186 0.535 1.00 93.24 ? 82 ARG A CZ 1 ATOM 656 N NH1 . ARG A 1 85 B 200.614 60.016 0.908 1.00 96.77 1 82 ARG A NH1 1 ATOM 657 N NH2 . ARG A 1 85 B 200.808 61.995 -0.246 1.00 94.67 ? 82 ARG A NH2 1 ATOM 658 N N . LEU A 1 86 C 198.896 61.865 7.840 1.00 59.43 ? 82 LEU A N 1 ATOM 659 C CA . LEU A 1 86 C 199.619 61.526 9.060 1.00 60.49 ? 82 LEU A CA 1 ATOM 660 C C . LEU A 1 86 C 199.164 60.190 9.635 1.00 65.12 ? 82 LEU A C 1 ATOM 661 O O . LEU A 1 86 C 197.982 59.839 9.590 1.00 65.20 ? 82 LEU A O 1 ATOM 662 C CB . LEU A 1 86 C 199.436 62.621 10.112 1.00 60.05 ? 82 LEU A CB 1 ATOM 663 C CG . LEU A 1 86 C 200.318 63.870 10.031 1.00 61.09 ? 82 LEU A CG 1 ATOM 664 C CD1 . LEU A 1 86 C 199.910 64.682 8.861 1.00 75.46 ? 82 LEU A CD1 1 ATOM 665 C CD2 . LEU A 1 86 C 200.222 64.715 11.291 1.00 65.57 ? 82 LEU A CD2 1 ATOM 666 N N . ARG A 1 87 ? 200.123 59.450 10.187 1.00 63.36 ? 83 ARG A N 1 ATOM 667 C CA . ARG A 1 87 ? 199.904 58.200 10.895 1.00 62.55 ? 83 ARG A CA 1 ATOM 668 C C . ARG A 1 87 ? 200.441 58.352 12.314 1.00 65.92 ? 83 ARG A C 1 ATOM 669 O O . ARG A 1 87 ? 201.116 59.333 12.638 1.00 64.45 ? 83 ARG A O 1 ATOM 670 C CB . ARG A 1 87 ? 200.591 57.030 10.173 1.00 70.45 ? 83 ARG A CB 1 ATOM 671 C CG . ARG A 1 87 ? 200.495 57.084 8.650 1.00 87.35 ? 83 ARG A CG 1 ATOM 672 C CD . ARG A 1 87 ? 201.078 55.834 7.996 1.00 101.32 ? 83 ARG A CD 1 ATOM 673 N NE . ARG A 1 87 ? 202.533 55.754 8.114 1.00 104.73 ? 83 ARG A NE 1 ATOM 674 C CZ . ARG A 1 87 ? 203.381 56.034 7.129 1.00 104.14 ? 83 ARG A CZ 1 ATOM 675 N NH1 . ARG A 1 87 ? 204.690 55.928 7.329 1.00 103.01 1 83 ARG A NH1 1 ATOM 676 N NH2 . ARG A 1 87 ? 202.922 56.414 5.942 1.00 99.34 ? 83 ARG A NH2 1 ATOM 677 N N . SER A 1 88 ? 200.140 57.369 13.172 1.00 65.96 ? 84 SER A N 1 ATOM 678 C CA . SER A 1 88 ? 200.536 57.484 14.575 1.00 60.32 ? 84 SER A CA 1 ATOM 679 C C . SER A 1 88 ? 202.052 57.458 14.727 1.00 54.41 ? 84 SER A C 1 ATOM 680 O O . SER A 1 88 ? 202.607 58.174 15.569 1.00 50.96 ? 84 SER A O 1 ATOM 681 C CB . SER A 1 88 ? 199.887 56.381 15.413 1.00 55.20 ? 84 SER A CB 1 ATOM 682 O OG . SER A 1 88 ? 199.874 55.155 14.709 1.00 72.54 ? 84 SER A OG 1 ATOM 683 N N . ASP A 1 89 ? 202.743 56.671 13.895 1.00 53.55 ? 85 ASP A N 1 ATOM 684 C CA . ASP A 1 89 ? 204.201 56.594 13.914 1.00 51.92 ? 85 ASP A CA 1 ATOM 685 C C . ASP A 1 89 ? 204.877 57.810 13.275 1.00 51.82 ? 85 ASP A C 1 ATOM 686 O O . ASP A 1 89 ? 206.096 57.791 13.066 1.00 52.27 ? 85 ASP A O 1 ATOM 687 C CB . ASP A 1 89 ? 204.675 55.306 13.228 1.00 63.67 ? 85 ASP A CB 1 ATOM 688 C CG . ASP A 1 89 ? 204.326 55.260 11.748 1.00 82.87 ? 85 ASP A CG 1 ATOM 689 O OD1 . ASP A 1 89 ? 205.035 54.558 10.990 1.00 79.82 ? 85 ASP A OD1 1 ATOM 690 O OD2 . ASP A 1 89 ? 203.345 55.922 11.341 1.00 100.54 -1 85 ASP A OD2 1 ATOM 691 N N . ASP A 1 90 ? 204.122 58.855 12.945 1.00 51.00 ? 86 ASP A N 1 ATOM 692 C CA . ASP A 1 90 ? 204.700 60.154 12.629 1.00 49.81 ? 86 ASP A CA 1 ATOM 693 C C . ASP A 1 90 ? 204.843 61.028 13.868 1.00 51.54 ? 86 ASP A C 1 ATOM 694 O O . ASP A 1 90 ? 205.355 62.149 13.766 1.00 55.03 ? 86 ASP A O 1 ATOM 695 C CB . ASP A 1 90 ? 203.854 60.877 11.568 1.00 53.84 ? 86 ASP A CB 1 ATOM 696 C CG . ASP A 1 90 ? 204.017 60.279 10.177 1.00 66.16 ? 86 ASP A CG 1 ATOM 697 O OD1 . ASP A 1 90 ? 205.121 59.779 9.864 1.00 75.54 ? 86 ASP A OD1 1 ATOM 698 O OD2 . ASP A 1 90 ? 203.041 60.307 9.395 1.00 69.32 -1 86 ASP A OD2 1 ATOM 699 N N . THR A 1 91 ? 204.393 60.542 15.025 1.00 51.13 ? 87 THR A N 1 ATOM 700 C CA . THR A 1 91 ? 204.577 61.259 16.280 1.00 47.44 ? 87 THR A CA 1 ATOM 701 C C . THR A 1 91 ? 206.059 61.404 16.584 1.00 46.32 ? 87 THR A C 1 ATOM 702 O O . THR A 1 91 ? 206.748 60.408 16.828 1.00 55.53 ? 87 THR A O 1 ATOM 703 C CB . THR A 1 91 ? 203.876 60.520 17.419 1.00 50.51 ? 87 THR A CB 1 ATOM 704 O OG1 . THR A 1 91 ? 202.455 60.599 17.244 1.00 55.92 ? 87 THR A OG1 1 ATOM 705 C CG2 . THR A 1 91 ? 204.259 61.129 18.759 1.00 29.19 ? 87 THR A CG2 1 ATOM 706 N N . ALA A 1 92 ? 206.549 62.640 16.575 1.00 40.70 ? 88 ALA A N 1 ATOM 707 C CA . ALA A 1 92 ? 207.970 62.875 16.786 1.00 42.52 ? 88 ALA A CA 1 ATOM 708 C C . ALA A 1 92 ? 208.199 64.354 17.047 1.00 40.96 ? 88 ALA A C 1 ATOM 709 O O . ALA A 1 92 ? 207.307 65.188 16.860 1.00 40.70 ? 88 ALA A O 1 ATOM 710 C CB . ALA A 1 92 ? 208.792 62.409 15.582 1.00 46.75 ? 88 ALA A CB 1 ATOM 711 N N . VAL A 1 93 ? 209.416 64.665 17.492 1.00 34.34 ? 89 VAL A N 1 ATOM 712 C CA . VAL A 1 93 ? 209.910 66.036 17.538 1.00 42.77 ? 89 VAL A CA 1 ATOM 713 C C . VAL A 1 93 ? 210.549 66.355 16.192 1.00 48.55 ? 89 VAL A C 1 ATOM 714 O O . VAL A 1 93 ? 211.384 65.588 15.695 1.00 45.87 ? 89 VAL A O 1 ATOM 715 C CB . VAL A 1 93 ? 210.906 66.222 18.694 1.00 43.59 ? 89 VAL A CB 1 ATOM 716 C CG1 . VAL A 1 93 ? 211.602 67.569 18.596 1.00 32.01 ? 89 VAL A CG1 1 ATOM 717 C CG2 . VAL A 1 93 ? 210.188 66.078 20.037 1.00 37.46 ? 89 VAL A CG2 1 ATOM 718 N N . TYR A 1 94 ? 210.137 67.467 15.587 1.00 46.28 ? 90 TYR A N 1 ATOM 719 C CA . TYR A 1 94 ? 210.579 67.868 14.256 1.00 29.16 ? 90 TYR A CA 1 ATOM 720 C C . TYR A 1 94 ? 211.525 69.052 14.381 1.00 44.61 ? 90 TYR A C 1 ATOM 721 O O . TYR A 1 94 ? 211.182 70.063 15.007 1.00 45.48 ? 90 TYR A O 1 ATOM 722 C CB . TYR A 1 94 ? 209.382 68.206 13.361 1.00 29.35 ? 90 TYR A CB 1 ATOM 723 C CG . TYR A 1 94 ? 208.655 66.963 12.901 1.00 41.48 ? 90 TYR A CG 1 ATOM 724 C CD1 . TYR A 1 94 ? 207.750 66.319 13.732 1.00 37.50 ? 90 TYR A CD1 1 ATOM 725 C CD2 . TYR A 1 94 ? 208.907 66.407 11.656 1.00 34.39 ? 90 TYR A CD2 1 ATOM 726 C CE1 . TYR A 1 94 ? 207.104 65.168 13.332 1.00 38.42 ? 90 TYR A CE1 1 ATOM 727 C CE2 . TYR A 1 94 ? 208.253 65.259 11.244 1.00 39.04 ? 90 TYR A CE2 1 ATOM 728 C CZ . TYR A 1 94 ? 207.357 64.643 12.092 1.00 41.59 ? 90 TYR A CZ 1 ATOM 729 O OH . TYR A 1 94 ? 206.707 63.493 11.709 1.00 51.99 ? 90 TYR A OH 1 ATOM 730 N N . TYR A 1 95 ? 212.708 68.921 13.780 1.00 44.48 ? 91 TYR A N 1 ATOM 731 C CA . TYR A 1 95 ? 213.780 69.906 13.870 1.00 39.05 ? 91 TYR A CA 1 ATOM 732 C C . TYR A 1 95 ? 214.127 70.436 12.486 1.00 42.13 ? 91 TYR A C 1 ATOM 733 O O . TYR A 1 95 ? 214.308 69.652 11.547 1.00 38.98 ? 91 TYR A O 1 ATOM 734 C CB . TYR A 1 95 ? 215.050 69.296 14.470 1.00 36.05 ? 91 TYR A CB 1 ATOM 735 C CG . TYR A 1 95 ? 214.987 68.829 15.908 1.00 41.34 ? 91 TYR A CG 1 ATOM 736 C CD1 . TYR A 1 95 ? 215.066 69.738 16.964 1.00 33.20 ? 91 TYR A CD1 1 ATOM 737 C CD2 . TYR A 1 95 ? 214.922 67.472 16.209 1.00 31.26 ? 91 TYR A CD2 1 ATOM 738 C CE1 . TYR A 1 95 ? 215.048 69.307 18.281 1.00 33.17 ? 91 TYR A CE1 1 ATOM 739 C CE2 . TYR A 1 95 ? 214.904 67.030 17.524 1.00 37.49 ? 91 TYR A CE2 1 ATOM 740 C CZ . TYR A 1 95 ? 214.965 67.951 18.551 1.00 39.99 ? 91 TYR A CZ 1 ATOM 741 O OH . TYR A 1 95 ? 214.934 67.515 19.852 1.00 45.72 ? 91 TYR A OH 1 ATOM 742 N N . CYS A 1 96 ? 214.244 71.755 12.363 1.00 44.92 ? 92 CYS A N 1 ATOM 743 C CA . CYS A 1 96 ? 214.994 72.342 11.261 1.00 52.13 ? 92 CYS A CA 1 ATOM 744 C C . CYS A 1 96 ? 216.444 72.490 11.708 1.00 46.20 ? 92 CYS A C 1 ATOM 745 O O . CYS A 1 96 ? 216.723 72.703 12.893 1.00 40.11 ? 92 CYS A O 1 ATOM 746 C CB . CYS A 1 96 ? 214.427 73.700 10.838 1.00 42.39 ? 92 CYS A CB 1 ATOM 747 S SG . CYS A 1 96 ? 214.415 74.897 12.178 1.00 74.93 ? 92 CYS A SG 1 ATOM 748 N N . ALA A 1 97 ? 217.366 72.355 10.763 1.00 37.52 ? 93 ALA A N 1 ATOM 749 C CA . ALA A 1 97 ? 218.780 72.468 11.080 1.00 38.66 ? 93 ALA A CA 1 ATOM 750 C C . ALA A 1 97 ? 219.506 73.106 9.908 1.00 42.17 ? 93 ALA A C 1 ATOM 751 O O . ALA A 1 97 ? 219.229 72.794 8.746 1.00 41.50 ? 93 ALA A O 1 ATOM 752 C CB . ALA A 1 97 ? 219.391 71.101 11.423 1.00 30.90 ? 93 ALA A CB 1 ATOM 753 N N . LYS A 1 98 ? 220.429 74.006 10.225 1.00 40.63 ? 94 LYS A N 1 ATOM 754 C CA . LYS A 1 98 ? 221.181 74.755 9.230 1.00 36.74 ? 94 LYS A CA 1 ATOM 755 C C . LYS A 1 98 ? 222.534 74.083 9.028 1.00 46.91 ? 94 LYS A C 1 ATOM 756 O O . LYS A 1 98 ? 223.310 73.938 9.980 1.00 49.09 ? 94 LYS A O 1 ATOM 757 C CB . LYS A 1 98 ? 221.341 76.209 9.678 1.00 47.22 ? 94 LYS A CB 1 ATOM 758 C CG . LYS A 1 98 ? 222.436 76.993 8.990 1.00 47.35 ? 94 LYS A CG 1 ATOM 759 C CD . LYS A 1 98 ? 222.693 78.306 9.718 1.00 44.37 ? 94 LYS A CD 1 ATOM 760 C CE . LYS A 1 98 ? 224.026 78.890 9.304 1.00 55.79 ? 94 LYS A CE 1 ATOM 761 N NZ . LYS A 1 98 ? 225.115 77.864 9.415 1.00 48.21 1 94 LYS A NZ 1 ATOM 762 N N . ILE A 1 99 ? 222.797 73.651 7.795 1.00 43.95 ? 95 ILE A N 1 ATOM 763 C CA . ILE A 1 99 ? 224.097 73.094 7.451 1.00 40.94 ? 95 ILE A CA 1 ATOM 764 C C . ILE A 1 99 ? 225.159 74.189 7.508 1.00 45.85 ? 95 ILE A C 1 ATOM 765 O O . ILE A 1 99 ? 224.880 75.381 7.301 1.00 43.34 ? 95 ILE A O 1 ATOM 766 C CB . ILE A 1 99 ? 224.041 72.431 6.060 1.00 44.55 ? 95 ILE A CB 1 ATOM 767 C CG1 . ILE A 1 99 ? 225.131 71.368 5.911 1.00 44.17 ? 95 ILE A CG1 1 ATOM 768 C CG2 . ILE A 1 99 ? 224.159 73.460 4.961 1.00 35.72 ? 95 ILE A CG2 1 ATOM 769 C CD1 . ILE A 1 99 ? 224.941 70.199 6.833 1.00 40.38 ? 95 ILE A CD1 1 ATOM 770 N N . SER A 1 100 ? 226.386 73.782 7.813 1.00 48.61 ? 96 SER A N 1 ATOM 771 C CA . SER A 1 100 ? 227.556 74.648 7.845 1.00 42.05 ? 96 SER A CA 1 ATOM 772 C C . SER A 1 100 ? 228.471 74.302 6.674 1.00 46.72 ? 96 SER A C 1 ATOM 773 O O . SER A 1 100 ? 228.212 73.369 5.907 1.00 55.62 ? 96 SER A O 1 ATOM 774 C CB . SER A 1 100 ? 228.292 74.491 9.176 1.00 48.73 ? 96 SER A CB 1 ATOM 775 O OG . SER A 1 100 ? 228.977 73.241 9.232 1.00 50.38 ? 96 SER A OG 1 ATOM 776 N N . GLY A 1 101 ? 229.572 75.048 6.553 1.00 53.98 ? 97 GLY A N 1 ATOM 777 C CA . GLY A 1 101 ? 230.566 74.733 5.539 1.00 53.61 ? 97 GLY A CA 1 ATOM 778 C C . GLY A 1 101 ? 231.358 73.472 5.820 1.00 60.70 ? 97 GLY A C 1 ATOM 779 O O . GLY A 1 101 ? 232.061 72.981 4.928 1.00 64.70 ? 97 GLY A O 1 ATOM 780 N N . SER A 1 102 ? 231.266 72.940 7.038 1.00 59.78 ? 98 SER A N 1 ATOM 781 C CA . SER A 1 102 ? 231.908 71.686 7.401 1.00 59.94 ? 98 SER A CA 1 ATOM 782 C C . SER A 1 102 ? 230.971 70.497 7.272 1.00 60.10 ? 98 SER A C 1 ATOM 783 O O . SER A 1 102 ? 231.296 69.411 7.762 1.00 61.18 ? 98 SER A O 1 ATOM 784 C CB . SER A 1 102 ? 232.441 71.762 8.831 1.00 59.49 ? 98 SER A CB 1 ATOM 785 O OG . SER A 1 102 ? 231.373 71.974 9.739 1.00 71.06 ? 98 SER A OG 1 ATOM 786 N N . TYR A 1 103 ? 229.813 70.683 6.638 1.00 56.92 ? 99 TYR A N 1 ATOM 787 C CA . TYR A 1 103 ? 228.849 69.604 6.441 1.00 64.30 ? 99 TYR A CA 1 ATOM 788 C C . TYR A 1 103 ? 228.460 68.983 7.780 1.00 60.10 ? 99 TYR A C 1 ATOM 789 O O . TYR A 1 103 ? 228.351 67.767 7.931 1.00 68.90 ? 99 TYR A O 1 ATOM 790 C CB . TYR A 1 103 ? 229.394 68.579 5.443 1.00 68.56 ? 99 TYR A CB 1 ATOM 791 C CG . TYR A 1 103 ? 229.690 69.253 4.116 1.00 94.48 ? 99 TYR A CG 1 ATOM 792 C CD1 . TYR A 1 103 ? 228.877 70.297 3.659 1.00 94.07 ? 99 TYR A CD1 1 ATOM 793 C CD2 . TYR A 1 103 ? 230.790 68.888 3.343 1.00 101.81 ? 99 TYR A CD2 1 ATOM 794 C CE1 . TYR A 1 103 ? 229.131 70.943 2.464 1.00 94.44 ? 99 TYR A CE1 1 ATOM 795 C CE2 . TYR A 1 103 ? 231.056 69.533 2.137 1.00 109.19 ? 99 TYR A CE2 1 ATOM 796 C CZ . TYR A 1 103 ? 230.221 70.561 1.705 1.00 107.51 ? 99 TYR A CZ 1 ATOM 797 O OH . TYR A 1 103 ? 230.476 71.208 0.513 1.00 107.64 ? 99 TYR A OH 1 ATOM 798 N N . SER A 1 104 ? 228.277 69.853 8.768 1.00 46.58 ? 100 SER A N 1 ATOM 799 C CA . SER A 1 104 ? 227.720 69.526 10.068 1.00 45.94 ? 100 SER A CA 1 ATOM 800 C C . SER A 1 104 ? 226.608 70.525 10.377 1.00 52.18 ? 100 SER A C 1 ATOM 801 O O . SER A 1 104 ? 226.523 71.596 9.769 1.00 53.78 ? 100 SER A O 1 ATOM 802 C CB . SER A 1 104 ? 228.794 69.565 11.161 1.00 37.21 ? 100 SER A CB 1 ATOM 803 O OG . SER A 1 104 ? 229.492 70.797 11.140 1.00 52.21 ? 100 SER A OG 1 ATOM 804 N N . PHE A 1 105 A 225.743 70.163 11.324 1.00 46.88 ? 100 PHE A N 1 ATOM 805 C CA . PHE A 1 105 A 224.619 71.010 11.733 1.00 39.41 ? 100 PHE A CA 1 ATOM 806 C C . PHE A 1 105 A 224.997 71.723 13.028 1.00 40.76 ? 100 PHE A C 1 ATOM 807 O O . PHE A 1 105 A 224.870 71.157 14.118 1.00 54.02 ? 100 PHE A O 1 ATOM 808 C CB . PHE A 1 105 A 223.354 70.176 11.893 1.00 38.22 ? 100 PHE A CB 1 ATOM 809 C CG . PHE A 1 105 A 222.951 69.450 10.642 1.00 46.20 ? 100 PHE A CG 1 ATOM 810 C CD1 . PHE A 1 105 A 222.326 70.122 9.606 1.00 46.83 ? 100 PHE A CD1 1 ATOM 811 C CD2 . PHE A 1 105 A 223.204 68.097 10.495 1.00 55.55 ? 100 PHE A CD2 1 ATOM 812 C CE1 . PHE A 1 105 A 221.948 69.451 8.448 1.00 52.67 ? 100 PHE A CE1 1 ATOM 813 C CE2 . PHE A 1 105 A 222.836 67.422 9.338 1.00 57.67 ? 100 PHE A CE2 1 ATOM 814 C CZ . PHE A 1 105 A 222.206 68.100 8.314 1.00 53.49 ? 100 PHE A CZ 1 ATOM 815 N N . ASP A 1 106 ? 225.471 72.968 12.903 1.00 44.37 ? 101 ASP A N 1 ATOM 816 C CA . ASP A 1 106 ? 225.902 73.756 14.053 1.00 52.37 ? 101 ASP A CA 1 ATOM 817 C C . ASP A 1 106 ? 224.768 74.523 14.728 1.00 48.34 ? 101 ASP A C 1 ATOM 818 O O . ASP A 1 106 ? 224.916 74.914 15.891 1.00 60.34 ? 101 ASP A O 1 ATOM 819 C CB . ASP A 1 106 ? 227.020 74.736 13.651 1.00 59.20 ? 101 ASP A CB 1 ATOM 820 C CG . ASP A 1 106 ? 226.699 75.528 12.383 1.00 81.47 ? 101 ASP A CG 1 ATOM 821 O OD1 . ASP A 1 106 ? 225.691 75.212 11.710 1.00 88.56 ? 101 ASP A OD1 1 ATOM 822 O OD2 . ASP A 1 106 ? 227.466 76.463 12.053 1.00 82.33 -1 101 ASP A OD2 1 ATOM 823 N N . TYR A 1 107 ? 223.639 74.737 14.051 1.00 48.15 ? 102 TYR A N 1 ATOM 824 C CA . TYR A 1 107 ? 222.493 75.403 14.661 1.00 49.53 ? 102 TYR A CA 1 ATOM 825 C C . TYR A 1 107 ? 221.220 74.632 14.360 1.00 41.25 ? 102 TYR A C 1 ATOM 826 O O . TYR A 1 107 ? 220.959 74.282 13.205 1.00 49.53 ? 102 TYR A O 1 ATOM 827 C CB . TYR A 1 107 ? 222.356 76.843 14.173 1.00 50.15 ? 102 TYR A CB 1 ATOM 828 C CG . TYR A 1 107 ? 223.491 77.719 14.624 1.00 47.85 ? 102 TYR A CG 1 ATOM 829 C CD1 . TYR A 1 107 ? 223.504 78.275 15.899 1.00 44.08 ? 102 TYR A CD1 1 ATOM 830 C CD2 . TYR A 1 107 ? 224.556 77.991 13.774 1.00 48.59 ? 102 TYR A CD2 1 ATOM 831 C CE1 . TYR A 1 107 ? 224.558 79.087 16.309 1.00 47.08 ? 102 TYR A CE1 1 ATOM 832 C CE2 . TYR A 1 107 ? 225.609 78.796 14.175 1.00 44.82 ? 102 TYR A CE2 1 ATOM 833 C CZ . TYR A 1 107 ? 225.607 79.335 15.442 1.00 49.08 ? 102 TYR A CZ 1 ATOM 834 O OH . TYR A 1 107 ? 226.658 80.130 15.833 1.00 57.96 ? 102 TYR A OH 1 ATOM 835 N N . TRP A 1 108 ? 220.431 74.386 15.403 1.00 41.37 ? 103 TRP A N 1 ATOM 836 C CA . TRP A 1 108 ? 219.198 73.620 15.332 1.00 35.21 ? 103 TRP A CA 1 ATOM 837 C C . TRP A 1 108 ? 218.038 74.446 15.869 1.00 42.05 ? 103 TRP A C 1 ATOM 838 O O . TRP A 1 108 ? 218.214 75.285 16.757 1.00 49.51 ? 103 TRP A O 1 ATOM 839 C CB . TRP A 1 108 ? 219.299 72.330 16.156 1.00 37.43 ? 103 TRP A CB 1 ATOM 840 C CG . TRP A 1 108 ? 220.289 71.329 15.659 1.00 38.09 ? 103 TRP A CG 1 ATOM 841 C CD1 . TRP A 1 108 ? 221.649 71.456 15.626 1.00 31.49 ? 103 TRP A CD1 1 ATOM 842 C CD2 . TRP A 1 108 ? 219.997 70.020 15.146 1.00 33.02 ? 103 TRP A CD2 1 ATOM 843 N NE1 . TRP A 1 108 ? 222.221 70.308 15.113 1.00 31.52 ? 103 TRP A NE1 1 ATOM 844 C CE2 . TRP A 1 108 ? 221.225 69.415 14.811 1.00 30.72 ? 103 TRP A CE2 1 ATOM 845 C CE3 . TRP A 1 108 ? 218.815 69.304 14.936 1.00 40.40 ? 103 TRP A CE3 1 ATOM 846 C CZ2 . TRP A 1 108 ? 221.301 68.134 14.277 1.00 36.85 ? 103 TRP A CZ2 1 ATOM 847 C CZ3 . TRP A 1 108 ? 218.897 68.023 14.411 1.00 34.84 ? 103 TRP A CZ3 1 ATOM 848 C CH2 . TRP A 1 108 ? 220.129 67.457 14.084 1.00 33.69 ? 103 TRP A CH2 1 ATOM 849 N N . GLY A 1 109 ? 216.844 74.194 15.342 1.00 40.22 ? 104 GLY A N 1 ATOM 850 C CA . GLY A 1 109 ? 215.648 74.688 15.994 1.00 36.22 ? 104 GLY A CA 1 ATOM 851 C C . GLY A 1 109 ? 215.446 74.003 17.335 1.00 41.65 ? 104 GLY A C 1 ATOM 852 O O . GLY A 1 109 ? 216.093 73.010 17.662 1.00 41.76 ? 104 GLY A O 1 ATOM 853 N N . GLN A 1 110 ? 214.537 74.553 18.142 1.00 40.17 ? 105 GLN A N 1 ATOM 854 C CA . GLN A 1 110 ? 214.313 73.971 19.464 1.00 44.92 ? 105 GLN A CA 1 ATOM 855 C C . GLN A 1 110 ? 213.456 72.714 19.406 1.00 49.25 ? 105 GLN A C 1 ATOM 856 O O . GLN A 1 110 ? 213.419 71.963 20.387 1.00 53.82 ? 105 GLN A O 1 ATOM 857 C CB . GLN A 1 110 ? 213.673 74.994 20.412 1.00 41.60 ? 105 GLN A CB 1 ATOM 858 C CG . GLN A 1 110 ? 212.159 75.131 20.293 1.00 45.96 ? 105 GLN A CG 1 ATOM 859 C CD . GLN A 1 110 ? 211.729 76.129 19.230 1.00 46.53 ? 105 GLN A CD 1 ATOM 860 O OE1 . GLN A 1 110 ? 212.501 76.475 18.327 1.00 45.60 ? 105 GLN A OE1 1 ATOM 861 N NE2 . GLN A 1 110 ? 210.487 76.599 19.332 1.00 36.50 ? 105 GLN A NE2 1 ATOM 862 N N . GLY A 1 111 ? 212.790 72.469 18.291 1.00 39.67 ? 106 GLY A N 1 ATOM 863 C CA . GLY A 1 111 ? 212.024 71.263 18.066 1.00 37.70 ? 106 GLY A CA 1 ATOM 864 C C . GLY A 1 111 ? 210.535 71.523 18.172 1.00 44.58 ? 106 GLY A C 1 ATOM 865 O O . GLY A 1 111 ? 210.080 72.430 18.879 1.00 47.55 ? 106 GLY A O 1 ATOM 866 N N . THR A 1 112 ? 209.760 70.714 17.460 1.00 39.91 ? 107 THR A N 1 ATOM 867 C CA . THR A 1 112 ? 208.310 70.882 17.401 1.00 45.00 ? 107 THR A CA 1 ATOM 868 C C . THR A 1 112 ? 207.679 69.509 17.576 1.00 45.80 ? 107 THR A C 1 ATOM 869 O O . THR A 1 112 ? 207.725 68.676 16.663 1.00 39.95 ? 107 THR A O 1 ATOM 870 C CB . THR A 1 112 ? 207.882 71.530 16.089 1.00 46.89 ? 107 THR A CB 1 ATOM 871 O OG1 . THR A 1 112 ? 208.480 72.826 15.990 1.00 50.49 ? 107 THR A OG1 1 ATOM 872 C CG2 . THR A 1 112 ? 206.369 71.669 16.034 1.00 46.57 ? 107 THR A CG2 1 ATOM 873 N N . LEU A 1 113 ? 207.112 69.274 18.755 1.00 43.17 ? 108 LEU A N 1 ATOM 874 C CA . LEU A 1 113 ? 206.475 67.996 19.018 1.00 46.29 ? 108 LEU A CA 1 ATOM 875 C C . LEU A 1 113 ? 205.184 67.902 18.222 1.00 53.90 ? 108 LEU A C 1 ATOM 876 O O . LEU A 1 113 ? 204.328 68.790 18.289 1.00 55.19 ? 108 LEU A O 1 ATOM 877 C CB . LEU A 1 113 ? 206.195 67.821 20.506 1.00 50.13 ? 108 LEU A CB 1 ATOM 878 C CG . LEU A 1 113 ? 205.518 66.494 20.828 1.00 49.07 ? 108 LEU A CG 1 ATOM 879 C CD1 . LEU A 1 113 ? 206.441 65.329 20.518 1.00 41.95 ? 108 LEU A CD1 1 ATOM 880 C CD2 . LEU A 1 113 ? 205.054 66.464 22.279 1.00 35.74 ? 108 LEU A CD2 1 ATOM 881 N N . VAL A 1 114 ? 205.058 66.842 17.443 1.00 47.10 ? 109 VAL A N 1 ATOM 882 C CA . VAL A 1 114 ? 203.865 66.603 16.660 1.00 46.23 ? 109 VAL A CA 1 ATOM 883 C C . VAL A 1 114 ? 203.306 65.269 17.116 1.00 51.87 ? 109 VAL A C 1 ATOM 884 O O . VAL A 1 114 ? 203.909 64.218 16.868 1.00 56.13 ? 109 VAL A O 1 ATOM 885 C CB . VAL A 1 114 ? 204.146 66.610 15.154 1.00 51.09 ? 109 VAL A CB 1 ATOM 886 C CG1 . VAL A 1 114 ? 202.861 66.367 14.398 1.00 48.40 ? 109 VAL A CG1 1 ATOM 887 C CG2 . VAL A 1 114 ? 204.753 67.939 14.742 1.00 52.60 ? 109 VAL A CG2 1 ATOM 888 N N . THR A 1 115 ? 202.170 65.311 17.801 1.00 54.17 ? 110 THR A N 1 ATOM 889 C CA . THR A 1 115 ? 201.495 64.114 18.272 1.00 54.74 ? 110 THR A CA 1 ATOM 890 C C . THR A 1 115 ? 200.320 63.823 17.355 1.00 56.07 ? 110 THR A C 1 ATOM 891 O O . THR A 1 115 ? 199.491 64.704 17.106 1.00 68.90 ? 110 THR A O 1 ATOM 892 C CB . THR A 1 115 ? 201.010 64.281 19.713 1.00 53.40 ? 110 THR A CB 1 ATOM 893 O OG1 . THR A 1 115 ? 202.103 64.695 20.544 1.00 58.19 ? 110 THR A OG1 1 ATOM 894 C CG2 . THR A 1 115 ? 200.465 62.964 20.230 1.00 52.08 ? 110 THR A CG2 1 ATOM 895 N N . VAL A 1 116 ? 200.261 62.596 16.844 1.00 47.74 ? 111 VAL A N 1 ATOM 896 C CA . VAL A 1 116 ? 199.176 62.143 15.980 1.00 51.07 ? 111 VAL A CA 1 ATOM 897 C C . VAL A 1 116 ? 198.340 61.148 16.773 1.00 53.81 ? 111 VAL A C 1 ATOM 898 O O . VAL A 1 116 ? 198.860 60.125 17.237 1.00 51.48 ? 111 VAL A O 1 ATOM 899 C CB . VAL A 1 116 ? 199.705 61.509 14.684 1.00 49.01 ? 111 VAL A CB 1 ATOM 900 C CG1 . VAL A 1 116 ? 198.555 61.183 13.748 1.00 46.62 ? 111 VAL A CG1 1 ATOM 901 C CG2 . VAL A 1 116 ? 200.719 62.422 14.013 1.00 46.66 ? 111 VAL A CG2 1 ATOM 902 N N . SER A 1 117 ? 197.047 61.437 16.925 1.00 46.39 ? 112 SER A N 1 ATOM 903 C CA . SER A 1 117 ? 196.205 60.605 17.773 1.00 44.55 ? 112 SER A CA 1 ATOM 904 C C . SER A 1 117 ? 194.739 60.877 17.461 1.00 54.70 ? 112 SER A C 1 ATOM 905 O O . SER A 1 117 ? 194.376 61.970 17.019 1.00 58.05 ? 112 SER A O 1 ATOM 906 C CB . SER A 1 117 ? 196.503 60.863 19.258 1.00 41.32 ? 112 SER A CB 1 ATOM 907 O OG . SER A 1 117 ? 195.875 59.908 20.100 1.00 58.86 ? 112 SER A OG 1 ATOM 908 N N . SER A 1 118 ? 193.903 59.864 17.688 1.00 59.45 ? 113 SER A N 1 ATOM 909 C CA . SER A 1 118 ? 192.458 60.029 17.597 1.00 62.96 ? 113 SER A CA 1 ATOM 910 C C . SER A 1 118 ? 191.843 60.513 18.902 1.00 59.71 ? 113 SER A C 1 ATOM 911 O O . SER A 1 118 ? 190.661 60.881 18.918 1.00 61.12 ? 113 SER A O 1 ATOM 912 C CB . SER A 1 118 ? 191.793 58.712 17.187 1.00 60.64 ? 113 SER A CB 1 ATOM 913 O OG . SER A 1 118 ? 192.321 58.240 15.963 1.00 76.43 ? 113 SER A OG 1 ATOM 914 N N . ALA A 1 119 ? 192.623 60.524 19.981 1.00 53.34 ? 114 ALA A N 1 ATOM 915 C CA . ALA A 1 119 ? 192.123 60.879 21.298 1.00 51.48 ? 114 ALA A CA 1 ATOM 916 C C . ALA A 1 119 ? 191.684 62.337 21.345 1.00 55.85 ? 114 ALA A C 1 ATOM 917 O O . ALA A 1 119 ? 192.191 63.194 20.616 1.00 61.35 ? 114 ALA A O 1 ATOM 918 C CB . ALA A 1 119 ? 193.199 60.630 22.358 1.00 45.17 ? 114 ALA A CB 1 ATOM 919 N N . SER A 1 120 ? 190.722 62.609 22.214 1.00 58.26 ? 115 SER A N 1 ATOM 920 C CA . SER A 1 120 ? 190.317 63.968 22.522 1.00 57.68 ? 115 SER A CA 1 ATOM 921 C C . SER A 1 120 ? 190.850 64.351 23.895 1.00 51.38 ? 115 SER A C 1 ATOM 922 O O . SER A 1 120 ? 191.176 63.491 24.717 1.00 50.50 ? 115 SER A O 1 ATOM 923 C CB . SER A 1 120 ? 188.796 64.099 22.471 1.00 54.46 ? 115 SER A CB 1 ATOM 924 O OG . SER A 1 120 ? 188.332 63.778 21.169 1.00 78.44 ? 115 SER A OG 1 ATOM 925 N N . THR A 1 121 ? 190.963 65.658 24.125 1.00 50.09 ? 116 THR A N 1 ATOM 926 C CA . THR A 1 121 ? 191.470 66.141 25.403 1.00 55.20 ? 116 THR A CA 1 ATOM 927 C C . THR A 1 121 ? 190.636 65.577 26.550 1.00 50.68 ? 116 THR A C 1 ATOM 928 O O . THR A 1 121 ? 189.408 65.685 26.553 1.00 48.33 ? 116 THR A O 1 ATOM 929 C CB . THR A 1 121 ? 191.460 67.668 25.435 1.00 51.47 ? 116 THR A CB 1 ATOM 930 O OG1 . THR A 1 121 ? 192.365 68.163 24.443 1.00 53.35 ? 116 THR A OG1 1 ATOM 931 C CG2 . THR A 1 121 ? 191.894 68.175 26.801 1.00 42.20 ? 116 THR A CG2 1 ATOM 932 N N . LYS A 1 122 ? 191.305 64.939 27.509 1.00 42.58 ? 117 LYS A N 1 ATOM 933 C CA . LYS A 1 122 ? 190.620 64.347 28.648 1.00 45.34 ? 117 LYS A CA 1 ATOM 934 C C . LYS A 1 122 ? 191.508 64.437 29.881 1.00 46.79 ? 117 LYS A C 1 ATOM 935 O O . LYS A 1 122 ? 192.694 64.097 29.826 1.00 43.09 ? 117 LYS A O 1 ATOM 936 C CB . LYS A 1 122 ? 190.237 62.892 28.364 1.00 44.40 ? 117 LYS A CB 1 ATOM 937 C CG . LYS A 1 122 ? 189.772 62.145 29.592 1.00 44.26 ? 117 LYS A CG 1 ATOM 938 C CD . LYS A 1 122 ? 189.152 60.809 29.236 1.00 55.11 ? 117 LYS A CD 1 ATOM 939 C CE . LYS A 1 122 ? 189.172 59.885 30.446 1.00 70.60 ? 117 LYS A CE 1 ATOM 940 N NZ . LYS A 1 122 ? 188.903 60.633 31.708 1.00 82.03 1 117 LYS A NZ 1 ATOM 941 N N . GLY A 1 123 ? 190.930 64.906 30.986 1.00 50.30 ? 118 GLY A N 1 ATOM 942 C CA . GLY A 1 123 ? 191.647 65.041 32.232 1.00 43.63 ? 118 GLY A CA 1 ATOM 943 C C . GLY A 1 123 ? 191.782 63.720 32.966 1.00 42.32 ? 118 GLY A C 1 ATOM 944 O O . GLY A 1 123 ? 190.968 62.803 32.809 1.00 51.26 ? 118 GLY A O 1 ATOM 945 N N . PRO A 1 124 ? 192.813 63.601 33.793 1.00 38.28 ? 119 PRO A N 1 ATOM 946 C CA . PRO A 1 124 ? 193.112 62.312 34.416 1.00 45.69 ? 119 PRO A CA 1 ATOM 947 C C . PRO A 1 124 ? 192.230 62.017 35.612 1.00 52.64 ? 119 PRO A C 1 ATOM 948 O O . PRO A 1 124 ? 191.750 62.914 36.308 1.00 51.12 ? 119 PRO A O 1 ATOM 949 C CB . PRO A 1 124 ? 194.567 62.479 34.863 1.00 45.42 ? 119 PRO A CB 1 ATOM 950 C CG . PRO A 1 124 ? 194.650 63.924 35.215 1.00 39.65 ? 119 PRO A CG 1 ATOM 951 C CD . PRO A 1 124 ? 193.821 64.618 34.143 1.00 46.67 ? 119 PRO A CD 1 ATOM 952 N N . SER A 1 125 ? 192.032 60.727 35.848 1.00 45.88 ? 120 SER A N 1 ATOM 953 C CA . SER A 1 125 ? 191.535 60.256 37.127 1.00 39.66 ? 120 SER A CA 1 ATOM 954 C C . SER A 1 125 ? 192.741 59.863 37.958 1.00 45.09 ? 120 SER A C 1 ATOM 955 O O . SER A 1 125 ? 193.709 59.307 37.431 1.00 50.31 ? 120 SER A O 1 ATOM 956 C CB . SER A 1 125 ? 190.584 59.074 36.946 1.00 42.08 ? 120 SER A CB 1 ATOM 957 O OG . SER A 1 125 ? 189.658 59.346 35.905 1.00 55.84 ? 120 SER A OG 1 ATOM 958 N N . VAL A 1 126 ? 192.717 60.203 39.243 1.00 37.13 ? 121 VAL A N 1 ATOM 959 C CA . VAL A 1 126 ? 193.871 59.958 40.094 1.00 45.42 ? 121 VAL A CA 1 ATOM 960 C C . VAL A 1 126 ? 193.410 59.175 41.313 1.00 47.81 ? 121 VAL A C 1 ATOM 961 O O . VAL A 1 126 ? 192.507 59.607 42.041 1.00 43.40 ? 121 VAL A O 1 ATOM 962 C CB . VAL A 1 126 ? 194.619 61.253 40.472 1.00 43.10 ? 121 VAL A CB 1 ATOM 963 C CG1 . VAL A 1 126 ? 193.789 62.460 40.194 1.00 44.12 ? 121 VAL A CG1 1 ATOM 964 C CG2 . VAL A 1 126 ? 195.139 61.214 41.901 1.00 47.30 ? 121 VAL A CG2 1 ATOM 965 N N . PHE A 1 127 ? 193.996 57.992 41.489 1.00 48.60 ? 122 PHE A N 1 ATOM 966 C CA . PHE A 1 127 ? 193.716 56.970 42.471 1.00 49.76 ? 122 PHE A CA 1 ATOM 967 C C . PHE A 1 127 ? 194.915 56.789 43.388 1.00 54.20 ? 122 PHE A C 1 ATOM 968 O O . PHE A 1 127 ? 196.061 56.929 42.953 1.00 52.84 ? 122 PHE A O 1 ATOM 969 C CB . PHE A 1 127 ? 193.396 55.633 41.798 1.00 38.76 ? 122 PHE A CB 1 ATOM 970 C CG . PHE A 1 127 ? 192.320 55.725 40.764 1.00 44.45 ? 122 PHE A CG 1 ATOM 971 C CD1 . PHE A 1 127 ? 191.027 56.070 41.123 1.00 45.25 ? 122 PHE A CD1 1 ATOM 972 C CD2 . PHE A 1 127 ? 192.596 55.463 39.433 1.00 47.02 ? 122 PHE A CD2 1 ATOM 973 C CE1 . PHE A 1 127 ? 190.023 56.153 40.171 1.00 44.33 ? 122 PHE A CE1 1 ATOM 974 C CE2 . PHE A 1 127 ? 191.597 55.545 38.475 1.00 44.50 ? 122 PHE A CE2 1 ATOM 975 C CZ . PHE A 1 127 ? 190.307 55.887 38.848 1.00 45.95 ? 122 PHE A CZ 1 ATOM 976 N N . PRO A 1 128 ? 194.688 56.482 44.660 1.00 52.27 ? 123 PRO A N 1 ATOM 977 C CA . PRO A 1 128 ? 195.808 56.385 45.594 1.00 48.93 ? 123 PRO A CA 1 ATOM 978 C C . PRO A 1 128 ? 196.469 55.021 45.522 1.00 48.40 ? 123 PRO A C 1 ATOM 979 O O . PRO A 1 128 ? 195.814 53.998 45.302 1.00 56.96 ? 123 PRO A O 1 ATOM 980 C CB . PRO A 1 128 ? 195.143 56.608 46.956 1.00 54.76 ? 123 PRO A CB 1 ATOM 981 C CG . PRO A 1 128 ? 193.772 56.021 46.775 1.00 52.52 ? 123 PRO A CG 1 ATOM 982 C CD . PRO A 1 128 ? 193.390 56.267 45.328 1.00 52.53 ? 123 PRO A CD 1 ATOM 983 N N . LEU A 1 129 ? 197.790 55.030 45.673 1.00 52.54 ? 124 LEU A N 1 ATOM 984 C CA . LEU A 1 129 ? 198.580 53.829 45.927 1.00 51.62 ? 124 LEU A CA 1 ATOM 985 C C . LEU A 1 129 ? 198.875 53.855 47.424 1.00 50.66 ? 124 LEU A C 1 ATOM 986 O O . LEU A 1 129 ? 199.807 54.526 47.875 1.00 52.59 ? 124 LEU A O 1 ATOM 987 C CB . LEU A 1 129 ? 199.843 53.811 45.072 1.00 43.30 ? 124 LEU A CB 1 ATOM 988 C CG . LEU A 1 129 ? 199.603 53.760 43.556 1.00 47.05 ? 124 LEU A CG 1 ATOM 989 C CD1 . LEU A 1 129 ? 200.915 53.727 42.765 1.00 38.76 ? 124 LEU A CD1 1 ATOM 990 C CD2 . LEU A 1 129 ? 198.736 52.570 43.193 1.00 43.72 ? 124 LEU A CD2 1 ATOM 991 N N . ALA A 1 130 ? 198.046 53.161 48.193 1.00 51.12 ? 125 ALA A N 1 ATOM 992 C CA . ALA A 1 130 ? 198.037 53.297 49.643 1.00 53.75 ? 125 ALA A CA 1 ATOM 993 C C . ALA A 1 130 ? 199.208 52.545 50.270 1.00 55.80 ? 125 ALA A C 1 ATOM 994 O O . ALA A 1 130 ? 199.538 51.436 49.840 1.00 46.52 ? 125 ALA A O 1 ATOM 995 C CB . ALA A 1 130 ? 196.729 52.770 50.220 1.00 43.60 ? 125 ALA A CB 1 ATOM 996 N N . PRO A 1 131 ? 199.844 53.124 51.286 1.00 47.22 ? 126 PRO A N 1 ATOM 997 C CA . PRO A 1 131 ? 200.846 52.372 52.043 1.00 46.68 ? 126 PRO A CA 1 ATOM 998 C C . PRO A 1 131 ? 200.174 51.281 52.854 1.00 62.77 ? 126 PRO A C 1 ATOM 999 O O . PRO A 1 131 ? 199.121 51.491 53.462 1.00 64.45 ? 126 PRO A O 1 ATOM 1000 C CB . PRO A 1 131 ? 201.475 53.434 52.951 1.00 44.49 ? 126 PRO A CB 1 ATOM 1001 C CG . PRO A 1 131 ? 200.359 54.403 53.183 1.00 44.06 ? 126 PRO A CG 1 ATOM 1002 C CD . PRO A 1 131 ? 199.612 54.461 51.860 1.00 44.38 ? 126 PRO A CD 1 ATOM 1003 N N . SER A 1 132 ? 200.785 50.106 52.855 1.00 74.08 ? 127 SER A N 1 ATOM 1004 C CA . SER A 1 132 ? 200.275 48.984 53.626 1.00 87.60 ? 127 SER A CA 1 ATOM 1005 C C . SER A 1 132 ? 201.456 48.273 54.262 1.00 97.53 ? 127 SER A C 1 ATOM 1006 O O . SER A 1 132 ? 202.609 48.686 54.106 1.00 97.14 ? 127 SER A O 1 ATOM 1007 C CB . SER A 1 132 ? 199.457 48.036 52.741 1.00 85.45 ? 127 SER A CB 1 ATOM 1008 O OG . SER A 1 132 ? 200.139 47.751 51.528 1.00 75.38 ? 127 SER A OG 1 ATOM 1009 N N . SER A 1 133 ? 201.166 47.195 54.992 1.00 110.80 ? 128 SER A N 1 ATOM 1010 C CA . SER A 1 133 ? 202.244 46.309 55.413 1.00 116.47 ? 128 SER A CA 1 ATOM 1011 C C . SER A 1 133 ? 202.866 45.586 54.225 1.00 118.50 ? 128 SER A C 1 ATOM 1012 O O . SER A 1 133 ? 203.990 45.085 54.340 1.00 119.35 ? 128 SER A O 1 ATOM 1013 C CB . SER A 1 133 ? 201.738 45.303 56.447 1.00 114.36 ? 128 SER A CB 1 ATOM 1014 O OG . SER A 1 133 ? 200.880 44.343 55.858 1.00 112.41 ? 128 SER A OG 1 ATOM 1015 N N . LYS A 1 134 ? 202.164 45.535 53.087 1.00 116.54 ? 129 LYS A N 1 ATOM 1016 C CA . LYS A 1 134 ? 202.689 44.994 51.837 1.00 109.64 ? 129 LYS A CA 1 ATOM 1017 C C . LYS A 1 134 ? 203.473 46.024 51.033 1.00 110.97 ? 129 LYS A C 1 ATOM 1018 O O . LYS A 1 134 ? 203.898 45.725 49.909 1.00 95.22 ? 129 LYS A O 1 ATOM 1019 N N . SER A 1 135 ? 203.652 47.227 51.575 1.00 122.21 ? 130 SER A N 1 ATOM 1020 C CA . SER A 1 135 ? 204.523 48.259 51.023 1.00 116.20 ? 130 SER A CA 1 ATOM 1021 C C . SER A 1 135 ? 205.382 48.873 52.124 1.00 110.54 ? 130 SER A C 1 ATOM 1022 O O . SER A 1 135 ? 205.631 50.081 52.144 1.00 103.80 ? 130 SER A O 1 ATOM 1023 C CB . SER A 1 135 ? 203.716 49.331 50.291 1.00 104.78 ? 130 SER A CB 1 ATOM 1024 O OG . SER A 1 135 ? 202.725 49.900 51.129 1.00 101.85 ? 130 SER A OG 1 ATOM 1025 N N . THR A 1 136 ? 205.851 48.039 53.059 1.00 111.68 ? 131 THR A N 1 ATOM 1026 C CA . THR A 1 136 ? 206.680 48.462 54.193 1.00 112.89 ? 131 THR A CA 1 ATOM 1027 C C . THR A 1 136 ? 207.886 47.524 54.282 1.00 111.42 ? 131 THR A C 1 ATOM 1028 O O . THR A 1 136 ? 207.858 46.537 55.022 1.00 111.26 ? 131 THR A O 1 ATOM 1029 C CB . THR A 1 136 ? 205.878 48.472 55.508 1.00 113.25 ? 131 THR A CB 1 ATOM 1030 O OG1 . THR A 1 136 ? 204.739 49.335 55.379 1.00 110.65 ? 131 THR A OG1 1 ATOM 1031 C CG2 . THR A 1 136 ? 206.741 48.962 56.675 1.00 110.83 ? 131 THR A CG2 1 ATOM 1032 N N . SER A 1 137 ? 208.946 47.833 53.526 1.00 112.07 ? 132 SER A N 1 ATOM 1033 C CA . SER A 1 137 ? 210.205 47.086 53.593 1.00 109.68 ? 132 SER A CA 1 ATOM 1034 C C . SER A 1 137 ? 211.171 47.865 54.484 1.00 107.90 ? 132 SER A C 1 ATOM 1035 O O . SER A 1 137 ? 212.027 48.619 54.022 1.00 104.61 ? 132 SER A O 1 ATOM 1036 C CB . SER A 1 137 ? 210.781 46.852 52.196 1.00 102.48 ? 132 SER A CB 1 ATOM 1037 O OG . SER A 1 137 ? 211.421 48.015 51.702 1.00 99.66 ? 132 SER A OG 1 ATOM 1038 N N . GLY A 1 138 ? 211.019 47.669 55.791 0.71 103.85 ? 133 GLY A N 1 ATOM 1039 C CA . GLY A 1 138 ? 211.809 48.383 56.778 0.71 97.18 ? 133 GLY A CA 1 ATOM 1040 C C . GLY A 1 138 ? 211.034 48.587 58.066 0.71 94.57 ? 133 GLY A C 1 ATOM 1041 O O . GLY A 1 138 ? 210.367 47.664 58.536 0.71 99.29 ? 133 GLY A O 1 ATOM 1042 N N . GLY A 1 139 ? 211.100 49.791 58.632 1.00 87.84 ? 134 GLY A N 1 ATOM 1043 C CA . GLY A 1 139 ? 211.869 50.885 58.062 1.00 83.72 ? 134 GLY A CA 1 ATOM 1044 C C . GLY A 1 139 ? 211.104 51.836 57.147 1.00 87.97 ? 134 GLY A C 1 ATOM 1045 O O . GLY A 1 139 ? 210.549 52.845 57.593 1.00 82.21 ? 134 GLY A O 1 ATOM 1046 N N . THR A 1 140 ? 211.077 51.505 55.859 1.00 86.96 ? 135 THR A N 1 ATOM 1047 C CA . THR A 1 140 ? 210.552 52.379 54.818 1.00 85.39 ? 135 THR A CA 1 ATOM 1048 C C . THR A 1 140 ? 209.173 51.907 54.373 1.00 73.63 ? 135 THR A C 1 ATOM 1049 O O . THR A 1 140 ? 208.910 50.705 54.311 1.00 75.68 ? 135 THR A O 1 ATOM 1050 C CB . THR A 1 140 ? 211.512 52.402 53.623 1.00 91.86 ? 135 THR A CB 1 ATOM 1051 O OG1 . THR A 1 140 ? 212.815 52.806 54.064 1.00 100.68 ? 135 THR A OG1 1 ATOM 1052 C CG2 . THR A 1 140 ? 211.034 53.360 52.551 1.00 91.01 ? 135 THR A CG2 1 ATOM 1053 N N . ALA A 1 141 ? 208.289 52.859 54.081 1.00 57.19 ? 136 ALA A N 1 ATOM 1054 C CA . ALA A 1 141 ? 206.995 52.578 53.470 1.00 48.08 ? 136 ALA A CA 1 ATOM 1055 C C . ALA A 1 141 ? 206.898 53.298 52.132 1.00 49.08 ? 136 ALA A C 1 ATOM 1056 O O . ALA A 1 141 ? 207.397 54.418 51.979 1.00 52.13 ? 136 ALA A O 1 ATOM 1057 C CB . ALA A 1 141 ? 205.830 53.006 54.373 1.00 38.91 ? 136 ALA A CB 1 ATOM 1058 N N . ALA A 1 142 ? 206.264 52.656 51.159 1.00 50.87 ? 137 ALA A N 1 ATOM 1059 C CA . ALA A 1 142 ? 206.038 53.257 49.853 1.00 45.66 ? 137 ALA A CA 1 ATOM 1060 C C . ALA A 1 142 ? 204.559 53.576 49.684 1.00 45.49 ? 137 ALA A C 1 ATOM 1061 O O . ALA A 1 142 ? 203.693 52.827 50.143 1.00 47.25 ? 137 ALA A O 1 ATOM 1062 C CB . ALA A 1 142 ? 206.509 52.334 48.726 1.00 36.48 ? 137 ALA A CB 1 ATOM 1063 N N . LEU A 1 143 ? 204.279 54.697 49.030 1.00 38.00 ? 138 LEU A N 1 ATOM 1064 C CA . LEU A 1 143 ? 202.918 55.103 48.727 1.00 35.22 ? 138 LEU A CA 1 ATOM 1065 C C . LEU A 1 143 ? 202.985 55.937 47.460 1.00 40.98 ? 138 LEU A C 1 ATOM 1066 O O . LEU A 1 143 ? 204.072 56.312 47.010 1.00 39.40 ? 138 LEU A O 1 ATOM 1067 C CB . LEU A 1 143 ? 202.289 55.871 49.899 1.00 43.44 ? 138 LEU A CB 1 ATOM 1068 C CG . LEU A 1 143 ? 202.991 57.155 50.373 1.00 46.16 ? 138 LEU A CG 1 ATOM 1069 C CD1 . LEU A 1 143 ? 202.288 58.383 49.815 1.00 44.08 ? 138 LEU A CD1 1 ATOM 1070 C CD2 . LEU A 1 143 ? 203.076 57.232 51.893 1.00 41.48 ? 138 LEU A CD2 1 ATOM 1071 N N . GLY A 1 144 ? 201.830 56.218 46.867 1.00 45.89 ? 139 GLY A N 1 ATOM 1072 C CA . GLY A 1 144 ? 201.852 56.951 45.620 1.00 40.04 ? 139 GLY A CA 1 ATOM 1073 C C . GLY A 1 144 ? 200.484 57.295 45.084 1.00 37.42 ? 139 GLY A C 1 ATOM 1074 O O . GLY A 1 144 ? 199.474 57.236 45.790 1.00 46.14 ? 139 GLY A O 1 ATOM 1075 N N . CYS A 1 145 ? 200.484 57.670 43.806 1.00 38.15 ? 140 CYS A N 1 ATOM 1076 C CA . CYS A 1 145 ? 199.299 58.071 43.065 1.00 41.77 ? 140 CYS A CA 1 ATOM 1077 C C . CYS A 1 145 ? 199.374 57.510 41.657 1.00 47.58 ? 140 CYS A C 1 ATOM 1078 O O . CYS A 1 145 ? 200.423 57.564 41.010 1.00 48.95 ? 140 CYS A O 1 ATOM 1079 C CB . CYS A 1 145 ? 199.163 59.593 43.000 1.00 39.77 ? 140 CYS A CB 1 ATOM 1080 S SG . CYS A 1 145 ? 198.492 60.282 44.508 1.00 73.77 ? 140 CYS A SG 1 ATOM 1081 N N . LEU A 1 146 ? 198.257 56.970 41.192 1.00 36.05 ? 141 LEU A N 1 ATOM 1082 C CA . LEU A 1 146 ? 198.124 56.497 39.821 1.00 33.55 ? 141 LEU A CA 1 ATOM 1083 C C . LEU A 1 146 ? 197.301 57.535 39.066 1.00 49.79 ? 141 LEU A C 1 ATOM 1084 O O . LEU A 1 146 ? 196.148 57.802 39.420 1.00 52.16 ? 141 LEU A O 1 ATOM 1085 C CB . LEU A 1 146 ? 197.484 55.111 39.782 1.00 34.43 ? 141 LEU A CB 1 ATOM 1086 C CG . LEU A 1 146 ? 197.109 54.436 38.465 1.00 41.74 ? 141 LEU A CG 1 ATOM 1087 C CD1 . LEU A 1 146 ? 198.320 54.034 37.639 1.00 40.71 ? 141 LEU A CD1 1 ATOM 1088 C CD2 . LEU A 1 146 ? 196.247 53.227 38.780 1.00 41.79 ? 141 LEU A CD2 1 ATOM 1089 N N . VAL A 1 147 ? 197.916 58.148 38.059 1.00 40.64 ? 142 VAL A N 1 ATOM 1090 C CA . VAL A 1 147 ? 197.296 59.186 37.249 1.00 39.04 ? 142 VAL A CA 1 ATOM 1091 C C . VAL A 1 147 ? 196.950 58.538 35.916 1.00 42.84 ? 142 VAL A C 1 ATOM 1092 O O . VAL A 1 147 ? 197.834 58.247 35.104 1.00 52.31 ? 142 VAL A O 1 ATOM 1093 C CB . VAL A 1 147 ? 198.227 60.392 37.080 1.00 34.01 ? 142 VAL A CB 1 ATOM 1094 C CG1 . VAL A 1 147 ? 197.471 61.598 36.572 1.00 39.96 ? 142 VAL A CG1 1 ATOM 1095 C CG2 . VAL A 1 147 ? 198.920 60.708 38.403 1.00 33.55 ? 142 VAL A CG2 1 ATOM 1096 N N . LYS A 1 148 ? 195.665 58.293 35.696 1.00 39.54 ? 143 LYS A N 1 ATOM 1097 C CA . LYS A 1 148 ? 195.208 57.361 34.679 1.00 42.87 ? 143 LYS A CA 1 ATOM 1098 C C . LYS A 1 148 ? 194.279 58.048 33.685 1.00 53.24 ? 143 LYS A C 1 ATOM 1099 O O . LYS A 1 148 ? 193.415 58.846 34.075 1.00 45.71 ? 143 LYS A O 1 ATOM 1100 C CB . LYS A 1 148 ? 194.487 56.171 35.338 1.00 33.43 ? 143 LYS A CB 1 ATOM 1101 C CG . LYS A 1 148 ? 194.574 54.895 34.532 1.00 54.21 ? 143 LYS A CG 1 ATOM 1102 C CD . LYS A 1 148 ? 193.730 53.793 35.127 1.00 53.98 ? 143 LYS A CD 1 ATOM 1103 C CE . LYS A 1 148 ? 193.973 52.492 34.390 1.00 56.89 ? 143 LYS A CE 1 ATOM 1104 N NZ . LYS A 1 148 ? 193.703 52.615 32.930 1.00 50.99 1 143 LYS A NZ 1 ATOM 1105 N N . ASP A 1 149 ? 194.485 57.742 32.399 1.00 55.69 ? 144 ASP A N 1 ATOM 1106 C CA . ASP A 1 149 ? 193.528 58.009 31.318 1.00 51.19 ? 144 ASP A CA 1 ATOM 1107 C C . ASP A 1 149 ? 193.400 59.505 31.026 1.00 44.15 ? 144 ASP A C 1 ATOM 1108 O O . ASP A 1 149 ? 192.348 60.113 31.209 1.00 62.11 ? 144 ASP A O 1 ATOM 1109 C CB . ASP A 1 149 ? 192.150 57.417 31.643 1.00 43.37 ? 144 ASP A CB 1 ATOM 1110 C CG . ASP A 1 149 ? 192.128 55.915 31.543 1.00 59.24 ? 144 ASP A CG 1 ATOM 1111 O OD1 . ASP A 1 149 ? 192.986 55.361 30.811 1.00 62.12 ? 144 ASP A OD1 1 ATOM 1112 O OD2 . ASP A 1 149 ? 191.242 55.295 32.184 1.00 61.25 -1 144 ASP A OD2 1 ATOM 1113 N N . TYR A 1 150 ? 194.484 60.082 30.526 1.00 41.43 ? 145 TYR A N 1 ATOM 1114 C CA . TYR A 1 150 ? 194.470 61.496 30.196 1.00 37.12 ? 145 TYR A CA 1 ATOM 1115 C C . TYR A 1 150 ? 195.111 61.733 28.838 1.00 39.58 ? 145 TYR A C 1 ATOM 1116 O O . TYR A 1 150 ? 195.943 60.948 28.372 1.00 42.21 ? 145 TYR A O 1 ATOM 1117 C CB . TYR A 1 150 ? 195.183 62.322 31.264 1.00 34.20 ? 145 TYR A CB 1 ATOM 1118 C CG . TYR A 1 150 ? 196.659 62.049 31.392 1.00 33.56 ? 145 TYR A CG 1 ATOM 1119 C CD1 . TYR A 1 150 ? 197.142 61.096 32.280 1.00 37.69 ? 145 TYR A CD1 1 ATOM 1120 C CD2 . TYR A 1 150 ? 197.575 62.758 30.638 1.00 32.03 ? 145 TYR A CD2 1 ATOM 1121 C CE1 . TYR A 1 150 ? 198.507 60.859 32.402 1.00 38.41 ? 145 TYR A CE1 1 ATOM 1122 C CE2 . TYR A 1 150 ? 198.928 62.527 30.757 1.00 29.06 ? 145 TYR A CE2 1 ATOM 1123 C CZ . TYR A 1 150 ? 199.390 61.583 31.632 1.00 41.75 ? 145 TYR A CZ 1 ATOM 1124 O OH . TYR A 1 150 ? 200.748 61.374 31.721 1.00 46.78 ? 145 TYR A OH 1 ATOM 1125 N N . PHE A 1 151 ? 194.708 62.832 28.207 1.00 35.94 ? 146 PHE A N 1 ATOM 1126 C CA . PHE A 1 151 ? 195.251 63.231 26.918 1.00 33.90 ? 146 PHE A CA 1 ATOM 1127 C C . PHE A 1 151 ? 195.087 64.734 26.742 1.00 45.44 ? 146 PHE A C 1 ATOM 1128 O O . PHE A 1 151 ? 194.053 65.288 27.098 1.00 54.83 ? 146 PHE A O 1 ATOM 1129 C CB . PHE A 1 151 ? 194.558 62.487 25.771 1.00 34.99 ? 146 PHE A CB 1 ATOM 1130 C CG . PHE A 1 151 ? 195.206 62.711 24.442 1.00 41.61 ? 146 PHE A CG 1 ATOM 1131 C CD1 . PHE A 1 151 ? 196.339 61.995 24.088 1.00 33.29 ? 146 PHE A CD1 1 ATOM 1132 C CD2 . PHE A 1 151 ? 194.703 63.652 23.557 1.00 43.69 ? 146 PHE A CD2 1 ATOM 1133 C CE1 . PHE A 1 151 ? 196.957 62.208 22.874 1.00 43.77 ? 146 PHE A CE1 1 ATOM 1134 C CE2 . PHE A 1 151 ? 195.315 63.870 22.336 1.00 43.26 ? 146 PHE A CE2 1 ATOM 1135 C CZ . PHE A 1 151 ? 196.446 63.147 21.994 1.00 33.67 ? 146 PHE A CZ 1 ATOM 1136 N N . PRO A 1 152 ? 196.113 65.407 26.205 1.00 45.10 ? 147 PRO A N 1 ATOM 1137 C CA . PRO A 1 152 ? 197.419 64.848 25.857 1.00 41.58 ? 147 PRO A CA 1 ATOM 1138 C C . PRO A 1 152 ? 198.387 64.978 27.014 1.00 41.53 ? 147 PRO A C 1 ATOM 1139 O O . PRO A 1 152 ? 197.958 65.198 28.141 1.00 47.02 ? 147 PRO A O 1 ATOM 1140 C CB . PRO A 1 152 ? 197.860 65.725 24.687 1.00 40.87 ? 147 PRO A CB 1 ATOM 1141 C CG . PRO A 1 152 ? 197.331 67.081 25.070 1.00 41.85 ? 147 PRO A CG 1 ATOM 1142 C CD . PRO A 1 152 ? 196.020 66.826 25.817 1.00 40.31 ? 147 PRO A CD 1 ATOM 1143 N N . GLU A 1 153 ? 199.675 64.848 26.726 1.00 46.59 ? 148 GLU A N 1 ATOM 1144 C CA . GLU A 1 153 ? 200.725 65.160 27.682 1.00 44.38 ? 148 GLU A CA 1 ATOM 1145 C C . GLU A 1 153 ? 200.918 66.675 27.786 1.00 40.93 ? 148 GLU A C 1 ATOM 1146 O O . GLU A 1 153 ? 200.533 67.402 26.877 1.00 53.71 ? 148 GLU A O 1 ATOM 1147 C CB . GLU A 1 153 ? 202.021 64.490 27.253 1.00 48.01 ? 148 GLU A CB 1 ATOM 1148 C CG . GLU A 1 153 ? 201.964 62.995 27.265 1.00 57.45 ? 148 GLU A CG 1 ATOM 1149 C CD . GLU A 1 153 ? 202.978 62.422 28.219 1.00 75.52 ? 148 GLU A CD 1 ATOM 1150 O OE1 . GLU A 1 153 ? 202.899 62.745 29.430 1.00 82.48 ? 148 GLU A OE1 1 ATOM 1151 O OE2 . GLU A 1 153 ? 203.866 61.679 27.747 1.00 76.30 -1 148 GLU A OE2 1 ATOM 1152 N N . PRO A 1 154 ? 201.494 67.160 28.903 1.00 45.98 ? 149 PRO A N 1 ATOM 1153 C CA . PRO A 1 154 ? 201.850 66.397 30.100 1.00 43.76 ? 149 PRO A CA 1 ATOM 1154 C C . PRO A 1 154 ? 200.919 66.648 31.297 1.00 43.11 ? 149 PRO A C 1 ATOM 1155 O O . PRO A 1 154 ? 200.066 67.547 31.273 1.00 47.83 ? 149 PRO A O 1 ATOM 1156 C CB . PRO A 1 154 ? 203.236 66.934 30.417 1.00 31.44 ? 149 PRO A CB 1 ATOM 1157 C CG . PRO A 1 154 ? 203.052 68.416 30.175 1.00 28.58 ? 149 PRO A CG 1 ATOM 1158 C CD . PRO A 1 154 ? 202.107 68.503 28.956 1.00 38.59 ? 149 PRO A CD 1 ATOM 1159 N N . VAL A 1 155 ? 201.109 65.844 32.339 1.00 32.39 ? 150 VAL A N 1 ATOM 1160 C CA . VAL A 1 155 ? 200.643 66.150 33.682 1.00 43.57 ? 150 VAL A CA 1 ATOM 1161 C C . VAL A 1 155 ? 201.855 66.537 34.524 1.00 46.11 ? 150 VAL A C 1 ATOM 1162 O O . VAL A 1 155 ? 202.994 66.165 34.231 1.00 55.60 ? 150 VAL A O 1 ATOM 1163 C CB . VAL A 1 155 ? 199.905 64.960 34.325 1.00 41.74 ? 150 VAL A CB 1 ATOM 1164 C CG1 . VAL A 1 155 ? 198.643 64.627 33.551 1.00 45.63 ? 150 VAL A CG1 1 ATOM 1165 C CG2 . VAL A 1 155 ? 200.839 63.754 34.399 1.00 32.41 ? 150 VAL A CG2 1 ATOM 1166 N N . THR A 1 156 ? 201.602 67.290 35.588 1.00 41.16 ? 151 THR A N 1 ATOM 1167 C CA . THR A 1 156 ? 202.617 67.613 36.579 1.00 35.08 ? 151 THR A CA 1 ATOM 1168 C C . THR A 1 156 ? 202.188 67.039 37.921 1.00 40.55 ? 151 THR A C 1 ATOM 1169 O O . THR A 1 156 ? 201.002 67.083 38.272 1.00 50.73 ? 151 THR A O 1 ATOM 1170 C CB . THR A 1 156 ? 202.837 69.131 36.694 1.00 47.19 ? 151 THR A CB 1 ATOM 1171 O OG1 . THR A 1 156 ? 201.631 69.762 37.146 1.00 61.78 ? 151 THR A OG1 1 ATOM 1172 C CG2 . THR A 1 156 ? 203.249 69.726 35.336 1.00 46.90 ? 151 THR A CG2 1 ATOM 1173 N N . VAL A 1 157 ? 203.149 66.474 38.658 1.00 34.88 ? 152 VAL A N 1 ATOM 1174 C CA . VAL A 1 157 ? 202.885 65.861 39.959 1.00 34.90 ? 152 VAL A CA 1 ATOM 1175 C C . VAL A 1 157 ? 203.863 66.440 40.969 1.00 43.82 ? 152 VAL A C 1 ATOM 1176 O O . VAL A 1 157 ? 205.066 66.520 40.698 1.00 54.63 ? 152 VAL A O 1 ATOM 1177 C CB . VAL A 1 157 ? 202.996 64.324 39.921 1.00 42.44 ? 152 VAL A CB 1 ATOM 1178 C CG1 . VAL A 1 157 ? 202.729 63.740 41.310 1.00 39.80 ? 152 VAL A CG1 1 ATOM 1179 C CG2 . VAL A 1 157 ? 202.019 63.738 38.900 1.00 38.16 ? 152 VAL A CG2 1 ATOM 1180 N N . SER A 1 158 ? 203.341 66.887 42.109 1.00 45.29 ? 153 SER A N 1 ATOM 1181 C CA . SER A 1 158 ? 204.155 67.254 43.257 1.00 44.94 ? 153 SER A CA 1 ATOM 1182 C C . SER A 1 158 ? 203.502 66.654 44.491 1.00 45.45 ? 153 SER A C 1 ATOM 1183 O O . SER A 1 158 ? 202.381 66.147 44.436 1.00 53.46 ? 153 SER A O 1 ATOM 1184 C CB . SER A 1 158 ? 204.321 68.772 43.395 1.00 38.04 ? 153 SER A CB 1 ATOM 1185 O OG . SER A 1 158 ? 203.123 69.387 43.813 1.00 71.36 ? 153 SER A OG 1 ATOM 1186 N N . TRP A 1 159 ? 204.224 66.683 45.606 1.00 41.41 ? 154 TRP A N 1 ATOM 1187 C CA . TRP A 1 159 ? 203.761 66.069 46.844 1.00 44.11 ? 154 TRP A CA 1 ATOM 1188 C C . TRP A 1 159 ? 203.802 67.110 47.949 1.00 47.31 ? 154 TRP A C 1 ATOM 1189 O O . TRP A 1 159 ? 204.828 67.770 48.144 1.00 40.89 ? 154 TRP A O 1 ATOM 1190 C CB . TRP A 1 159 ? 204.612 64.843 47.214 1.00 38.85 ? 154 TRP A CB 1 ATOM 1191 C CG . TRP A 1 159 ? 204.302 63.659 46.366 1.00 33.26 ? 154 TRP A CG 1 ATOM 1192 C CD1 . TRP A 1 159 ? 204.847 63.351 45.156 1.00 35.93 ? 154 TRP A CD1 1 ATOM 1193 C CD2 . TRP A 1 159 ? 203.357 62.626 46.659 1.00 47.74 ? 154 TRP A CD2 1 ATOM 1194 N NE1 . TRP A 1 159 ? 204.297 62.185 44.675 1.00 39.01 ? 154 TRP A NE1 1 ATOM 1195 C CE2 . TRP A 1 159 ? 203.377 61.723 45.579 1.00 30.57 ? 154 TRP A CE2 1 ATOM 1196 C CE3 . TRP A 1 159 ? 202.500 62.373 47.737 1.00 40.06 ? 154 TRP A CE3 1 ATOM 1197 C CZ2 . TRP A 1 159 ? 202.568 60.595 45.537 1.00 41.96 ? 154 TRP A CZ2 1 ATOM 1198 C CZ3 . TRP A 1 159 ? 201.700 61.253 47.696 1.00 42.82 ? 154 TRP A CZ3 1 ATOM 1199 C CH2 . TRP A 1 159 ? 201.742 60.373 46.604 1.00 50.81 ? 154 TRP A CH2 1 ATOM 1200 N N . ASN A 1 160 ? 202.678 67.259 48.658 1.00 40.75 ? 155 ASN A N 1 ATOM 1201 C CA . ASN A 1 160 ? 202.534 68.258 49.718 1.00 36.55 ? 155 ASN A CA 1 ATOM 1202 C C . ASN A 1 160 ? 202.979 69.638 49.244 1.00 53.65 ? 155 ASN A C 1 ATOM 1203 O O . ASN A 1 160 ? 203.613 70.395 49.986 1.00 46.56 ? 155 ASN A O 1 ATOM 1204 C CB . ASN A 1 160 ? 203.296 67.845 50.977 1.00 42.53 ? 155 ASN A CB 1 ATOM 1205 C CG . ASN A 1 160 ? 202.738 66.585 51.608 1.00 50.86 ? 155 ASN A CG 1 ATOM 1206 O OD1 . ASN A 1 160 ? 201.663 66.115 51.232 1.00 53.83 ? 155 ASN A OD1 1 ATOM 1207 N ND2 . ASN A 1 160 ? 203.462 66.034 52.575 1.00 54.52 ? 155 ASN A ND2 1 ATOM 1208 N N . SER A 1 161 ? 202.658 69.958 47.982 1.00 36.63 ? 156 SER A N 1 ATOM 1209 C CA . SER A 1 161 ? 202.892 71.293 47.417 1.00 50.31 ? 156 SER A CA 1 ATOM 1210 C C . SER A 1 161 ? 204.368 71.688 47.492 1.00 53.67 ? 156 SER A C 1 ATOM 1211 O O . SER A 1 161 ? 204.709 72.809 47.877 1.00 58.60 ? 156 SER A O 1 ATOM 1212 C CB . SER A 1 161 ? 202.027 72.350 48.114 1.00 50.16 ? 156 SER A CB 1 ATOM 1213 O OG . SER A 1 161 ? 200.717 71.874 48.385 1.00 51.48 ? 156 SER A OG 1 ATOM 1214 N N . GLY A 1 162 ? 205.257 70.756 47.141 1.00 46.59 ? 157 GLY A N 1 ATOM 1215 C CA . GLY A 1 162 ? 206.681 71.021 47.122 1.00 46.77 ? 157 GLY A CA 1 ATOM 1216 C C . GLY A 1 162 ? 207.410 70.818 48.438 1.00 53.83 ? 157 GLY A C 1 ATOM 1217 O O . GLY A 1 162 ? 208.640 70.942 48.467 1.00 59.24 ? 157 GLY A O 1 ATOM 1218 N N . ALA A 1 163 ? 206.703 70.517 49.529 1.00 49.48 ? 158 ALA A N 1 ATOM 1219 C CA . ALA A 1 163 ? 207.366 70.313 50.810 1.00 54.23 ? 158 ALA A CA 1 ATOM 1220 C C . ALA A 1 163 ? 207.948 68.916 50.957 1.00 59.86 ? 158 ALA A C 1 ATOM 1221 O O . ALA A 1 163 ? 208.680 68.667 51.923 1.00 60.35 ? 158 ALA A O 1 ATOM 1222 C CB . ALA A 1 163 ? 206.396 70.576 51.963 1.00 45.76 ? 158 ALA A CB 1 ATOM 1223 N N . LEU A 1 164 ? 207.636 68.008 50.034 1.00 59.32 ? 159 LEU A N 1 ATOM 1224 C CA . LEU A 1 164 ? 208.118 66.630 50.065 1.00 55.52 ? 159 LEU A CA 1 ATOM 1225 C C . LEU A 1 164 ? 208.722 66.332 48.696 1.00 54.28 ? 159 LEU A C 1 ATOM 1226 O O . LEU A 1 164 ? 207.994 66.107 47.726 1.00 62.71 ? 159 LEU A O 1 ATOM 1227 C CB . LEU A 1 164 ? 206.990 65.663 50.404 1.00 51.33 ? 159 LEU A CB 1 ATOM 1228 C CG . LEU A 1 164 ? 207.343 64.181 50.375 1.00 49.89 ? 159 LEU A CG 1 ATOM 1229 C CD1 . LEU A 1 164 ? 208.420 63.891 51.403 1.00 42.21 ? 159 LEU A CD1 1 ATOM 1230 C CD2 . LEU A 1 164 ? 206.104 63.345 50.632 1.00 47.14 ? 159 LEU A CD2 1 ATOM 1231 N N . THR A 1 165 ? 210.048 66.356 48.613 1.00 62.36 ? 160 THR A N 1 ATOM 1232 C CA . THR A 1 165 ? 210.764 66.026 47.387 1.00 65.78 ? 160 THR A CA 1 ATOM 1233 C C . THR A 1 165 ? 211.715 64.852 47.542 1.00 57.52 ? 160 THR A C 1 ATOM 1234 O O . THR A 1 165 ? 211.911 64.100 46.582 1.00 60.12 ? 160 THR A O 1 ATOM 1235 C CB . THR A 1 165 ? 211.572 67.232 46.885 1.00 72.81 ? 160 THR A CB 1 ATOM 1236 O OG1 . THR A 1 165 ? 212.646 67.501 47.798 1.00 70.85 ? 160 THR A OG1 1 ATOM 1237 C CG2 . THR A 1 165 ? 210.684 68.459 46.780 1.00 76.93 ? 160 THR A CG2 1 ATOM 1238 N N . SER A 1 166 ? 212.317 64.686 48.715 1.00 57.08 ? 161 SER A N 1 ATOM 1239 C CA . SER A 1 166 ? 213.223 63.573 48.952 1.00 60.73 ? 161 SER A CA 1 ATOM 1240 C C . SER A 1 166 ? 212.467 62.251 48.888 1.00 58.08 ? 161 SER A C 1 ATOM 1241 O O . SER A 1 166 ? 211.451 62.068 49.566 1.00 54.59 ? 161 SER A O 1 ATOM 1242 C CB . SER A 1 166 ? 213.901 63.735 50.311 1.00 61.53 ? 161 SER A CB 1 ATOM 1243 O OG . SER A 1 166 ? 214.654 62.584 50.639 1.00 74.63 ? 161 SER A OG 1 ATOM 1244 N N . GLY A 1 167 ? 212.968 61.329 48.067 1.00 48.44 ? 162 GLY A N 1 ATOM 1245 C CA . GLY A 1 167 ? 212.342 60.030 47.923 1.00 48.92 ? 162 GLY A CA 1 ATOM 1246 C C . GLY A 1 167 ? 211.246 59.945 46.884 1.00 53.54 ? 162 GLY A C 1 ATOM 1247 O O . GLY A 1 167 ? 210.580 58.906 46.794 1.00 55.27 ? 162 GLY A O 1 ATOM 1248 N N . VAL A 1 168 ? 211.038 60.989 46.097 1.00 44.87 ? 163 VAL A N 1 ATOM 1249 C CA . VAL A 1 168 ? 209.957 61.013 45.123 1.00 37.89 ? 163 VAL A CA 1 ATOM 1250 C C . VAL A 1 168 ? 210.463 60.472 43.795 1.00 40.63 ? 163 VAL A C 1 ATOM 1251 O O . VAL A 1 168 ? 211.621 60.682 43.417 1.00 45.63 ? 163 VAL A O 1 ATOM 1252 C CB . VAL A 1 168 ? 209.391 62.439 44.979 1.00 43.29 ? 163 VAL A CB 1 ATOM 1253 C CG1 . VAL A 1 168 ? 208.318 62.490 43.909 1.00 30.48 ? 163 VAL A CG1 1 ATOM 1254 C CG2 . VAL A 1 168 ? 208.830 62.917 46.317 1.00 38.61 ? 163 VAL A CG2 1 ATOM 1255 N N . HIS A 1 169 ? 209.599 59.733 43.100 1.00 35.80 ? 164 HIS A N 1 ATOM 1256 C CA . HIS A 1 169 ? 209.856 59.277 41.743 1.00 32.53 ? 164 HIS A CA 1 ATOM 1257 C C . HIS A 1 169 ? 208.564 59.421 40.958 1.00 33.03 ? 164 HIS A C 1 ATOM 1258 O O . HIS A 1 169 ? 207.517 58.942 41.399 1.00 45.04 ? 164 HIS A O 1 ATOM 1259 C CB . HIS A 1 169 ? 210.332 57.819 41.705 1.00 44.87 ? 164 HIS A CB 1 ATOM 1260 C CG . HIS A 1 169 ? 211.665 57.588 42.348 1.00 46.82 ? 164 HIS A CG 1 ATOM 1261 N ND1 . HIS A 1 169 ? 212.845 58.060 41.812 1.00 40.09 ? 164 HIS A ND1 1 ATOM 1262 C CD2 . HIS A 1 169 ? 212.007 56.903 43.465 1.00 44.29 ? 164 HIS A CD2 1 ATOM 1263 C CE1 . HIS A 1 169 ? 213.854 57.690 42.580 1.00 41.96 ? 164 HIS A CE1 1 ATOM 1264 N NE2 . HIS A 1 169 ? 213.374 56.984 43.590 1.00 41.94 ? 164 HIS A NE2 1 ATOM 1265 N N . THR A 1 170 ? 208.630 60.086 39.809 1.00 37.08 ? 165 THR A N 1 ATOM 1266 C CA . THR A 1 170 ? 207.482 60.203 38.923 1.00 33.80 ? 165 THR A CA 1 ATOM 1267 C C . THR A 1 170 ? 207.856 59.583 37.586 1.00 32.32 ? 165 THR A C 1 ATOM 1268 O O . THR A 1 170 ? 208.841 59.985 36.961 1.00 39.48 ? 165 THR A O 1 ATOM 1269 C CB . THR A 1 170 ? 207.035 61.660 38.777 1.00 41.50 ? 165 THR A CB 1 ATOM 1270 O OG1 . THR A 1 170 ? 206.530 62.126 40.039 1.00 47.80 ? 165 THR A OG1 1 ATOM 1271 C CG2 . THR A 1 170 ? 205.925 61.788 37.726 1.00 27.30 ? 165 THR A CG2 1 ATOM 1272 N N . PHE A 1 171 ? 207.089 58.622 37.164 1.00 29.41 ? 166 PHE A N 1 ATOM 1273 C CA . PHE A 1 171 ? 207.556 57.830 36.045 1.00 32.64 ? 166 PHE A CA 1 ATOM 1274 C C . PHE A 1 171 ? 207.071 58.421 34.733 1.00 42.33 ? 166 PHE A C 1 ATOM 1275 O O . PHE A 1 171 ? 206.069 59.140 34.704 1.00 44.11 ? 166 PHE A O 1 ATOM 1276 C CB . PHE A 1 171 ? 207.063 56.398 36.178 1.00 34.34 ? 166 PHE A CB 1 ATOM 1277 C CG . PHE A 1 171 ? 207.584 55.698 37.393 1.00 32.71 ? 166 PHE A CG 1 ATOM 1278 C CD1 . PHE A 1 171 ? 208.744 54.940 37.329 1.00 37.89 ? 166 PHE A CD1 1 ATOM 1279 C CD2 . PHE A 1 171 ? 206.916 55.801 38.602 1.00 31.66 ? 166 PHE A CD2 1 ATOM 1280 C CE1 . PHE A 1 171 ? 209.225 54.290 38.454 1.00 45.54 ? 166 PHE A CE1 1 ATOM 1281 C CE2 . PHE A 1 171 ? 207.390 55.159 39.728 1.00 35.42 ? 166 PHE A CE2 1 ATOM 1282 C CZ . PHE A 1 171 ? 208.544 54.398 39.656 1.00 41.23 ? 166 PHE A CZ 1 ATOM 1283 N N . PRO A 1 172 ? 207.772 58.151 33.633 1.00 45.05 ? 167 PRO A N 1 ATOM 1284 C CA . PRO A 1 172 ? 207.287 58.625 32.333 1.00 35.36 ? 167 PRO A CA 1 ATOM 1285 C C . PRO A 1 172 ? 205.950 57.980 32.009 1.00 41.46 ? 167 PRO A C 1 ATOM 1286 O O . PRO A 1 172 ? 205.675 56.839 32.393 1.00 36.48 ? 167 PRO A O 1 ATOM 1287 C CB . PRO A 1 172 ? 208.379 58.180 31.348 1.00 26.47 ? 167 PRO A CB 1 ATOM 1288 C CG . PRO A 1 172 ? 209.576 57.879 32.198 1.00 44.84 ? 167 PRO A CG 1 ATOM 1289 C CD . PRO A 1 172 ? 209.052 57.429 33.522 1.00 41.20 ? 167 PRO A CD 1 ATOM 1290 N N . ALA A 1 173 ? 205.109 58.734 31.310 1.00 40.73 ? 168 ALA A N 1 ATOM 1291 C CA . ALA A 1 173 ? 203.795 58.233 30.946 1.00 40.14 ? 168 ALA A CA 1 ATOM 1292 C C . ALA A 1 173 ? 203.923 57.112 29.922 1.00 40.78 ? 168 ALA A C 1 ATOM 1293 O O . ALA A 1 173 ? 204.762 57.171 29.020 1.00 46.67 ? 168 ALA A O 1 ATOM 1294 C CB . ALA A 1 173 ? 202.944 59.367 30.384 1.00 37.29 ? 168 ALA A CB 1 ATOM 1295 N N . VAL A 1 174 ? 203.095 56.080 30.068 1.00 39.66 ? 169 VAL A N 1 ATOM 1296 C CA . VAL A 1 174 ? 202.948 55.056 29.040 1.00 40.50 ? 169 VAL A CA 1 ATOM 1297 C C . VAL A 1 174 ? 201.666 55.347 28.276 1.00 44.69 ? 169 VAL A C 1 ATOM 1298 O O . VAL A 1 174 ? 200.684 55.847 28.843 1.00 40.98 ? 169 VAL A O 1 ATOM 1299 C CB . VAL A 1 174 ? 202.936 53.623 29.620 1.00 48.81 ? 169 VAL A CB 1 ATOM 1300 C CG1 . VAL A 1 174 ? 204.157 53.386 30.496 1.00 55.57 ? 169 VAL A CG1 1 ATOM 1301 C CG2 . VAL A 1 174 ? 201.642 53.346 30.402 1.00 52.99 ? 169 VAL A CG2 1 ATOM 1302 N N . LEU A 1 175 ? 201.682 55.058 26.979 1.00 47.97 ? 170 LEU A N 1 ATOM 1303 C CA . LEU A 1 175 ? 200.511 55.211 26.128 1.00 41.46 ? 170 LEU A CA 1 ATOM 1304 C C . LEU A 1 175 ? 199.732 53.901 26.148 1.00 48.79 ? 170 LEU A C 1 ATOM 1305 O O . LEU A 1 175 ? 200.229 52.868 25.694 1.00 53.95 ? 170 LEU A O 1 ATOM 1306 C CB . LEU A 1 175 ? 200.923 55.599 24.712 1.00 34.51 ? 170 LEU A CB 1 ATOM 1307 C CG . LEU A 1 175 ? 199.774 55.862 23.731 1.00 46.28 ? 170 LEU A CG 1 ATOM 1308 C CD1 . LEU A 1 175 ? 198.785 56.846 24.316 1.00 38.50 ? 170 LEU A CD1 1 ATOM 1309 C CD2 . LEU A 1 175 ? 200.311 56.384 22.411 1.00 39.09 ? 170 LEU A CD2 1 ATOM 1310 N N . GLN A 1 176 ? 198.526 53.937 26.701 1.00 50.98 ? 171 GLN A N 1 ATOM 1311 C CA . GLN A 1 176 ? 197.688 52.754 26.754 1.00 53.39 ? 171 GLN A CA 1 ATOM 1312 C C . GLN A 1 176 ? 197.055 52.473 25.390 1.00 48.46 ? 171 GLN A C 1 ATOM 1313 O O . GLN A 1 176 ? 197.047 53.311 24.485 1.00 48.63 ? 171 GLN A O 1 ATOM 1314 C CB . GLN A 1 176 ? 196.612 52.926 27.822 1.00 57.65 ? 171 GLN A CB 1 ATOM 1315 C CG . GLN A 1 176 ? 197.172 53.256 29.185 1.00 55.66 ? 171 GLN A CG 1 ATOM 1316 C CD . GLN A 1 176 ? 196.086 53.427 30.221 1.00 66.26 ? 171 GLN A CD 1 ATOM 1317 O OE1 . GLN A 1 176 ? 195.812 52.520 31.009 1.00 80.18 ? 171 GLN A OE1 1 ATOM 1318 N NE2 . GLN A 1 176 ? 195.459 54.598 30.229 1.00 59.87 ? 171 GLN A NE2 1 ATOM 1319 N N . SER A 1 177 ? 196.508 51.268 25.247 1.00 55.50 ? 172 SER A N 1 ATOM 1320 C CA . SER A 1 177 ? 195.882 50.890 23.983 1.00 63.56 ? 172 SER A CA 1 ATOM 1321 C C . SER A 1 177 ? 194.610 51.676 23.691 1.00 61.47 ? 172 SER A C 1 ATOM 1322 O O . SER A 1 177 ? 194.060 51.539 22.596 1.00 64.93 ? 172 SER A O 1 ATOM 1323 C CB . SER A 1 177 ? 195.565 49.396 23.979 1.00 62.08 ? 172 SER A CB 1 ATOM 1324 O OG . SER A 1 177 ? 194.784 49.055 25.109 1.00 80.18 ? 172 SER A OG 1 ATOM 1325 N N . SER A 1 178 ? 194.133 52.482 24.633 1.00 59.07 ? 173 SER A N 1 ATOM 1326 C CA . SER A 1 178 ? 192.971 53.334 24.429 1.00 53.54 ? 173 SER A CA 1 ATOM 1327 C C . SER A 1 178 ? 193.313 54.671 23.782 1.00 56.13 ? 173 SER A C 1 ATOM 1328 O O . SER A 1 178 ? 192.401 55.453 23.494 1.00 60.96 ? 173 SER A O 1 ATOM 1329 C CB . SER A 1 178 ? 192.279 53.594 25.769 1.00 54.32 ? 173 SER A CB 1 ATOM 1330 O OG . SER A 1 178 ? 193.182 54.207 26.676 1.00 54.30 ? 173 SER A OG 1 ATOM 1331 N N . GLY A 1 179 ? 194.595 54.959 23.556 1.00 49.42 ? 174 GLY A N 1 ATOM 1332 C CA . GLY A 1 179 ? 195.023 56.266 23.112 1.00 38.30 ? 174 GLY A CA 1 ATOM 1333 C C . GLY A 1 179 ? 195.317 57.259 24.223 1.00 46.08 ? 174 GLY A C 1 ATOM 1334 O O . GLY A 1 179 ? 195.879 58.327 23.941 1.00 54.72 ? 174 GLY A O 1 ATOM 1335 N N . LEU A 1 180 ? 194.961 56.942 25.467 1.00 45.13 ? 175 LEU A N 1 ATOM 1336 C CA . LEU A 1 180 ? 195.172 57.817 26.611 1.00 46.81 ? 175 LEU A CA 1 ATOM 1337 C C . LEU A 1 180 ? 196.399 57.388 27.406 1.00 45.26 ? 175 LEU A C 1 ATOM 1338 O O . LEU A 1 180 ? 196.769 56.212 27.436 1.00 48.62 ? 175 LEU A O 1 ATOM 1339 C CB . LEU A 1 180 ? 193.948 57.817 27.523 1.00 34.45 ? 175 LEU A CB 1 ATOM 1340 C CG . LEU A 1 180 ? 192.619 58.035 26.799 1.00 46.81 ? 175 LEU A CG 1 ATOM 1341 C CD1 . LEU A 1 180 ? 191.455 57.910 27.770 1.00 43.12 ? 175 LEU A CD1 1 ATOM 1342 C CD2 . LEU A 1 180 ? 192.600 59.389 26.096 1.00 36.30 ? 175 LEU A CD2 1 ATOM 1343 N N . TYR A 1 181 ? 197.017 58.356 28.065 1.00 44.40 ? 176 TYR A N 1 ATOM 1344 C CA . TYR A 1 181 ? 198.234 58.105 28.813 1.00 39.73 ? 176 TYR A CA 1 ATOM 1345 C C . TYR A 1 181 ? 197.912 57.787 30.264 1.00 41.61 ? 176 TYR A C 1 ATOM 1346 O O . TYR A 1 181 ? 196.806 58.030 30.753 1.00 34.14 ? 176 TYR A O 1 ATOM 1347 C CB . TYR A 1 181 ? 199.172 59.311 28.754 1.00 40.11 ? 176 TYR A CB 1 ATOM 1348 C CG . TYR A 1 181 ? 199.688 59.646 27.375 1.00 39.74 ? 176 TYR A CG 1 ATOM 1349 C CD1 . TYR A 1 181 ? 200.912 59.171 26.934 1.00 42.00 ? 176 TYR A CD1 1 ATOM 1350 C CD2 . TYR A 1 181 ? 198.955 60.449 26.517 1.00 46.39 ? 176 TYR A CD2 1 ATOM 1351 C CE1 . TYR A 1 181 ? 201.384 59.487 25.670 1.00 44.87 ? 176 TYR A CE1 1 ATOM 1352 C CE2 . TYR A 1 181 ? 199.421 60.770 25.260 1.00 49.58 ? 176 TYR A CE2 1 ATOM 1353 C CZ . TYR A 1 181 ? 200.634 60.287 24.840 1.00 43.95 ? 176 TYR A CZ 1 ATOM 1354 O OH . TYR A 1 181 ? 201.093 60.607 23.584 1.00 55.96 ? 176 TYR A OH 1 ATOM 1355 N N . SER A 1 182 ? 198.903 57.226 30.950 1.00 39.73 ? 177 SER A N 1 ATOM 1356 C CA . SER A 1 182 ? 198.828 57.091 32.394 1.00 41.98 ? 177 SER A CA 1 ATOM 1357 C C . SER A 1 182 ? 200.241 56.983 32.938 1.00 37.25 ? 177 SER A C 1 ATOM 1358 O O . SER A 1 182 ? 201.151 56.505 32.254 1.00 40.67 ? 177 SER A O 1 ATOM 1359 C CB . SER A 1 182 ? 197.984 55.887 32.825 1.00 44.53 ? 177 SER A CB 1 ATOM 1360 O OG . SER A 1 182 ? 198.584 54.673 32.446 1.00 57.46 ? 177 SER A OG 1 ATOM 1361 N N . LEU A 1 183 ? 200.415 57.461 34.166 1.00 36.01 ? 178 LEU A N 1 ATOM 1362 C CA . LEU A 1 183 ? 201.696 57.381 34.843 1.00 47.48 ? 178 LEU A CA 1 ATOM 1363 C C . LEU A 1 183 ? 201.448 57.187 36.328 1.00 38.67 ? 178 LEU A C 1 ATOM 1364 O O . LEU A 1 183 ? 200.309 57.207 36.800 1.00 40.06 ? 178 LEU A O 1 ATOM 1365 C CB . LEU A 1 183 ? 202.562 58.622 34.574 1.00 45.69 ? 178 LEU A CB 1 ATOM 1366 C CG . LEU A 1 183 ? 202.180 60.048 34.995 1.00 41.97 ? 178 LEU A CG 1 ATOM 1367 C CD1 . LEU A 1 183 ? 202.200 60.284 36.505 1.00 40.80 ? 178 LEU A CD1 1 ATOM 1368 C CD2 . LEU A 1 183 ? 203.146 60.991 34.334 1.00 31.38 ? 178 LEU A CD2 1 ATOM 1369 N N . SER A 1 184 ? 202.539 57.025 37.063 1.00 41.00 ? 179 SER A N 1 ATOM 1370 C CA . SER A 1 184 ? 202.519 56.820 38.499 1.00 47.20 ? 179 SER A CA 1 ATOM 1371 C C . SER A 1 184 ? 203.559 57.723 39.142 1.00 44.51 ? 179 SER A C 1 ATOM 1372 O O . SER A 1 184 ? 204.605 58.004 38.550 1.00 45.84 ? 179 SER A O 1 ATOM 1373 C CB . SER A 1 184 ? 202.802 55.357 38.853 1.00 49.97 ? 179 SER A CB 1 ATOM 1374 O OG . SER A 1 184 ? 201.781 54.510 38.352 1.00 69.98 ? 179 SER A OG 1 ATOM 1375 N N . SER A 1 185 ? 203.257 58.193 40.346 1.00 38.13 ? 180 SER A N 1 ATOM 1376 C CA . SER A 1 185 ? 204.203 58.951 41.148 1.00 33.13 ? 180 SER A CA 1 ATOM 1377 C C . SER A 1 185 ? 204.238 58.324 42.526 1.00 37.96 ? 180 SER A C 1 ATOM 1378 O O . SER A 1 185 ? 203.187 58.079 43.125 1.00 37.48 ? 180 SER A O 1 ATOM 1379 C CB . SER A 1 185 ? 203.816 60.420 41.244 1.00 38.52 ? 180 SER A CB 1 ATOM 1380 O OG . SER A 1 185 ? 204.687 61.105 42.124 1.00 43.46 ? 180 SER A OG 1 ATOM 1381 N N . VAL A 1 186 ? 205.441 58.033 43.013 1.00 37.92 ? 181 VAL A N 1 ATOM 1382 C CA . VAL A 1 186 ? 205.607 57.287 44.248 1.00 38.47 ? 181 VAL A CA 1 ATOM 1383 C C . VAL A 1 186 ? 206.618 58.017 45.111 1.00 42.02 ? 181 VAL A C 1 ATOM 1384 O O . VAL A 1 186 ? 207.459 58.774 44.623 1.00 41.09 ? 181 VAL A O 1 ATOM 1385 C CB . VAL A 1 186 ? 206.057 55.835 43.994 1.00 37.16 ? 181 VAL A CB 1 ATOM 1386 C CG1 . VAL A 1 186 ? 205.055 55.125 43.108 1.00 29.58 ? 181 VAL A CG1 1 ATOM 1387 C CG2 . VAL A 1 186 ? 207.431 55.828 43.347 1.00 37.80 ? 181 VAL A CG2 1 ATOM 1388 N N . VAL A 1 187 ? 206.509 57.796 46.413 1.00 39.94 ? 182 VAL A N 1 ATOM 1389 C CA . VAL A 1 187 ? 207.459 58.349 47.363 1.00 38.24 ? 182 VAL A CA 1 ATOM 1390 C C . VAL A 1 187 ? 207.681 57.310 48.452 1.00 46.23 ? 182 VAL A C 1 ATOM 1391 O O . VAL A 1 187 ? 206.759 56.577 48.823 1.00 43.83 ? 182 VAL A O 1 ATOM 1392 C CB . VAL A 1 187 ? 206.963 59.700 47.923 1.00 43.52 ? 182 VAL A CB 1 ATOM 1393 C CG1 . VAL A 1 187 ? 205.564 59.560 48.490 1.00 46.40 ? 182 VAL A CG1 1 ATOM 1394 C CG2 . VAL A 1 187 ? 207.932 60.246 48.967 1.00 39.76 ? 182 VAL A CG2 1 ATOM 1395 N N . THR A 1 188 ? 208.923 57.207 48.921 1.00 39.65 ? 183 THR A N 1 ATOM 1396 C CA . THR A 1 188 ? 209.252 56.368 50.065 1.00 47.31 ? 183 THR A CA 1 ATOM 1397 C C . THR A 1 188 ? 209.432 57.255 51.288 1.00 51.34 ? 183 THR A C 1 ATOM 1398 O O . THR A 1 188 ? 210.080 58.306 51.216 1.00 59.22 ? 183 THR A O 1 ATOM 1399 C CB . THR A 1 188 ? 210.508 55.529 49.814 1.00 50.74 ? 183 THR A CB 1 ATOM 1400 O OG1 . THR A 1 188 ? 211.488 56.307 49.115 1.00 60.82 ? 183 THR A OG1 1 ATOM 1401 C CG2 . THR A 1 188 ? 210.157 54.288 48.995 1.00 42.30 ? 183 THR A CG2 1 ATOM 1402 N N . VAL A 1 189 ? 208.832 56.839 52.397 1.00 49.93 ? 184 VAL A N 1 ATOM 1403 C CA . VAL A 1 189 ? 208.785 57.630 53.623 1.00 48.28 ? 184 VAL A CA 1 ATOM 1404 C C . VAL A 1 189 ? 208.966 56.687 54.804 1.00 57.64 ? 184 VAL A C 1 ATOM 1405 O O . VAL A 1 189 ? 208.791 55.473 54.677 1.00 58.16 ? 184 VAL A O 1 ATOM 1406 C CB . VAL A 1 189 ? 207.452 58.395 53.765 1.00 45.34 ? 184 VAL A CB 1 ATOM 1407 C CG1 . VAL A 1 189 ? 207.232 59.337 52.588 1.00 40.23 ? 184 VAL A CG1 1 ATOM 1408 C CG2 . VAL A 1 189 ? 206.294 57.411 53.919 1.00 45.63 ? 184 VAL A CG2 1 ATOM 1409 N N . PRO A 1 190 ? 209.327 57.234 55.965 1.00 63.07 ? 185 PRO A N 1 ATOM 1410 C CA . PRO A 1 190 ? 209.419 56.386 57.162 1.00 60.88 ? 185 PRO A CA 1 ATOM 1411 C C . PRO A 1 190 ? 208.047 55.861 57.552 1.00 61.97 ? 185 PRO A C 1 ATOM 1412 O O . PRO A 1 190 ? 207.060 56.602 57.565 1.00 67.12 ? 185 PRO A O 1 ATOM 1413 C CB . PRO A 1 190 ? 209.988 57.334 58.225 1.00 55.03 ? 185 PRO A CB 1 ATOM 1414 C CG . PRO A 1 190 ? 210.669 58.414 57.444 1.00 60.49 ? 185 PRO A CG 1 ATOM 1415 C CD . PRO A 1 190 ? 209.821 58.597 56.222 1.00 60.29 ? 185 PRO A CD 1 ATOM 1416 N N . SER A 1 191 ? 207.985 54.559 57.852 1.00 61.86 ? 186 SER A N 1 ATOM 1417 C CA . SER A 1 191 ? 206.712 53.959 58.236 1.00 66.89 ? 186 SER A CA 1 ATOM 1418 C C . SER A 1 191 ? 206.216 54.475 59.579 1.00 70.45 ? 186 SER A C 1 ATOM 1419 O O . SER A 1 191 ? 205.024 54.345 59.876 1.00 75.27 ? 186 SER A O 1 ATOM 1420 C CB . SER A 1 191 ? 206.821 52.433 58.257 1.00 64.96 ? 186 SER A CB 1 ATOM 1421 O OG . SER A 1 191 ? 208.002 52.013 58.913 1.00 83.25 ? 186 SER A OG 1 ATOM 1422 N N . SER A 1 192 ? 207.093 55.072 60.388 1.00 66.82 ? 187 SER A N 1 ATOM 1423 C CA . SER A 1 192 ? 206.641 55.735 61.605 1.00 76.20 ? 187 SER A CA 1 ATOM 1424 C C . SER A 1 192 ? 205.870 57.019 61.312 1.00 77.62 ? 187 SER A C 1 ATOM 1425 O O . SER A 1 192 ? 205.145 57.507 62.187 1.00 81.23 ? 187 SER A O 1 ATOM 1426 C CB . SER A 1 192 ? 207.837 56.033 62.510 1.00 74.23 ? 187 SER A CB 1 ATOM 1427 O OG . SER A 1 192 ? 208.878 56.655 61.780 1.00 78.98 ? 187 SER A OG 1 ATOM 1428 N N . SER A 1 193 ? 206.004 57.570 60.102 1.00 71.81 ? 188 SER A N 1 ATOM 1429 C CA . SER A 1 193 ? 205.296 58.795 59.747 1.00 82.19 ? 188 SER A CA 1 ATOM 1430 C C . SER A 1 193 ? 203.830 58.544 59.417 1.00 83.78 ? 188 SER A C 1 ATOM 1431 O O . SER A 1 193 ? 203.007 59.456 59.553 1.00 77.09 ? 188 SER A O 1 ATOM 1432 C CB . SER A 1 193 ? 205.977 59.474 58.558 1.00 91.15 ? 188 SER A CB 1 ATOM 1433 O OG . SER A 1 193 ? 207.351 59.694 58.820 1.00 105.95 ? 188 SER A OG 1 ATOM 1434 N N . LEU A 1 194 ? 203.489 57.339 58.966 1.00 83.39 ? 189 LEU A N 1 ATOM 1435 C CA . LEU A 1 194 ? 202.095 57.016 58.692 1.00 77.23 ? 189 LEU A CA 1 ATOM 1436 C C . LEU A 1 194 ? 201.284 57.110 59.979 1.00 89.31 ? 189 LEU A C 1 ATOM 1437 O O . LEU A 1 194 ? 201.629 56.490 60.991 1.00 98.03 ? 189 LEU A O 1 ATOM 1438 C CB . LEU A 1 194 ? 201.989 55.619 58.084 1.00 63.04 ? 189 LEU A CB 1 ATOM 1439 C CG . LEU A 1 194 ? 203.018 55.267 57.002 1.00 57.55 ? 189 LEU A CG 1 ATOM 1440 C CD1 . LEU A 1 194 ? 202.886 53.815 56.572 1.00 43.58 ? 189 LEU A CD1 1 ATOM 1441 C CD2 . LEU A 1 194 ? 202.900 56.188 55.795 1.00 50.70 ? 189 LEU A CD2 1 ATOM 1442 N N . GLY A 1 195 ? 200.218 57.903 59.948 1.00 88.79 ? 190 GLY A N 1 ATOM 1443 C CA . GLY A 1 195 ? 199.411 58.166 61.114 1.00 95.52 ? 190 GLY A CA 1 ATOM 1444 C C . GLY A 1 195 ? 199.662 59.514 61.761 1.00 98.84 ? 190 GLY A C 1 ATOM 1445 O O . GLY A 1 195 ? 198.788 60.010 62.482 1.00 112.33 ? 190 GLY A O 1 ATOM 1446 N N . THR A 1 196 ? 200.833 60.115 61.532 1.00 81.48 ? 191 THR A N 1 ATOM 1447 C CA . THR A 1 196 ? 201.123 61.455 62.022 1.00 76.81 ? 191 THR A CA 1 ATOM 1448 C C . THR A 1 196 ? 201.372 62.475 60.920 1.00 74.96 ? 191 THR A C 1 ATOM 1449 O O . THR A 1 196 ? 201.252 63.675 61.181 1.00 75.42 ? 191 THR A O 1 ATOM 1450 C CB . THR A 1 196 ? 202.348 61.448 62.952 1.00 82.02 ? 191 THR A CB 1 ATOM 1451 O OG1 . THR A 1 196 ? 203.547 61.498 62.167 1.00 86.41 ? 191 THR A OG1 1 ATOM 1452 C CG2 . THR A 1 196 ? 202.362 60.194 63.812 1.00 83.85 ? 191 THR A CG2 1 ATOM 1453 N N . GLN A 1 197 ? 201.725 62.045 59.714 1.00 74.86 ? 192 GLN A N 1 ATOM 1454 C CA . GLN A 1 197 ? 202.009 62.946 58.608 1.00 68.18 ? 192 GLN A CA 1 ATOM 1455 C C . GLN A 1 197 ? 201.031 62.668 57.477 1.00 60.64 ? 192 GLN A C 1 ATOM 1456 O O . GLN A 1 197 ? 200.835 61.508 57.095 1.00 52.91 ? 192 GLN A O 1 ATOM 1457 C CB . GLN A 1 197 ? 203.448 62.773 58.119 1.00 66.77 ? 192 GLN A CB 1 ATOM 1458 C CG . GLN A 1 197 ? 203.768 63.567 56.868 1.00 76.19 ? 192 GLN A CG 1 ATOM 1459 C CD . GLN A 1 197 ? 204.095 65.011 57.167 1.00 84.08 ? 192 GLN A CD 1 ATOM 1460 O OE1 . GLN A 1 197 ? 204.612 65.330 58.239 1.00 93.18 ? 192 GLN A OE1 1 ATOM 1461 N NE2 . GLN A 1 197 ? 203.798 65.895 56.219 1.00 76.77 ? 192 GLN A NE2 1 ATOM 1462 N N . THR A 1 198 ? 200.414 63.725 56.949 1.00 53.20 ? 193 THR A N 1 ATOM 1463 C CA . THR A 1 198 ? 199.497 63.582 55.827 1.00 59.07 ? 193 THR A CA 1 ATOM 1464 C C . THR A 1 198 ? 200.259 63.735 54.519 1.00 59.89 ? 193 THR A C 1 ATOM 1465 O O . THR A 1 198 ? 201.179 64.553 54.410 1.00 52.43 ? 193 THR A O 1 ATOM 1466 C CB . THR A 1 198 ? 198.355 64.602 55.896 1.00 68.16 ? 193 THR A CB 1 ATOM 1467 O OG1 . THR A 1 198 ? 198.887 65.932 55.913 1.00 77.15 ? 193 THR A OG1 1 ATOM 1468 C CG2 . THR A 1 198 ? 197.506 64.376 57.144 1.00 65.48 ? 193 THR A CG2 1 ATOM 1469 N N . TYR A 1 199 ? 199.882 62.927 53.532 1.00 51.74 ? 194 TYR A N 1 ATOM 1470 C CA . TYR A 1 199 ? 200.543 62.921 52.235 1.00 50.91 ? 194 TYR A CA 1 ATOM 1471 C C . TYR A 1 199 ? 199.508 63.206 51.159 1.00 57.61 ? 194 TYR A C 1 ATOM 1472 O O . TYR A 1 199 ? 198.505 62.492 51.055 1.00 56.65 ? 194 TYR A O 1 ATOM 1473 C CB . TYR A 1 199 ? 201.257 61.585 51.998 1.00 48.88 ? 194 TYR A CB 1 ATOM 1474 C CG . TYR A 1 199 ? 202.441 61.396 52.926 1.00 47.15 ? 194 TYR A CG 1 ATOM 1475 C CD1 . TYR A 1 199 ? 203.628 62.085 52.704 1.00 52.43 ? 194 TYR A CD1 1 ATOM 1476 C CD2 . TYR A 1 199 ? 202.368 60.555 54.032 1.00 42.44 ? 194 TYR A CD2 1 ATOM 1477 C CE1 . TYR A 1 199 ? 204.714 61.941 53.543 1.00 49.02 ? 194 TYR A CE1 1 ATOM 1478 C CE2 . TYR A 1 199 ? 203.455 60.400 54.882 1.00 52.44 ? 194 TYR A CE2 1 ATOM 1479 C CZ . TYR A 1 199 ? 204.630 61.100 54.626 1.00 58.39 ? 194 TYR A CZ 1 ATOM 1480 O OH . TYR A 1 199 ? 205.728 60.973 55.451 1.00 64.43 ? 194 TYR A OH 1 ATOM 1481 N N . ILE A 1 200 ? 199.747 64.255 50.374 1.00 51.02 ? 195 ILE A N 1 ATOM 1482 C CA . ILE A 1 200 ? 198.835 64.698 49.324 1.00 49.07 ? 195 ILE A CA 1 ATOM 1483 C C . ILE A 1 200 ? 199.623 64.810 48.027 1.00 47.13 ? 195 ILE A C 1 ATOM 1484 O O . ILE A 1 200 ? 200.598 65.568 47.953 1.00 50.99 ? 195 ILE A O 1 ATOM 1485 C CB . ILE A 1 200 ? 198.182 66.049 49.666 1.00 51.68 ? 195 ILE A CB 1 ATOM 1486 C CG1 . ILE A 1 200 ? 197.358 65.940 50.944 1.00 48.61 ? 195 ILE A CG1 1 ATOM 1487 C CG2 . ILE A 1 200 ? 197.320 66.542 48.515 1.00 51.49 ? 195 ILE A CG2 1 ATOM 1488 C CD1 . ILE A 1 200 ? 196.966 67.267 51.503 1.00 38.34 ? 195 ILE A CD1 1 ATOM 1489 N N . CYS A 1 201 ? 199.201 64.077 47.003 1.00 41.19 ? 196 CYS A N 1 ATOM 1490 C CA . CYS A 1 201 ? 199.783 64.255 45.684 1.00 40.83 ? 196 CYS A CA 1 ATOM 1491 C C . CYS A 1 201 ? 198.953 65.273 44.911 1.00 44.98 ? 196 CYS A C 1 ATOM 1492 O O . CYS A 1 201 ? 197.722 65.162 44.833 1.00 44.45 ? 196 CYS A O 1 ATOM 1493 C CB . CYS A 1 201 ? 199.890 62.928 44.927 1.00 64.70 ? 196 CYS A CB 1 ATOM 1494 S SG . CYS A 1 201 ? 198.387 62.285 44.178 1.00 75.25 ? 196 CYS A SG 1 ATOM 1495 N N . ASN A 1 202 ? 199.639 66.275 44.371 1.00 45.93 ? 197 ASN A N 1 ATOM 1496 C CA . ASN A 1 202 ? 199.031 67.390 43.659 1.00 33.09 ? 197 ASN A CA 1 ATOM 1497 C C . ASN A 1 202 ? 199.232 67.171 42.168 1.00 42.35 ? 197 ASN A C 1 ATOM 1498 O O . ASN A 1 202 ? 200.371 67.152 41.689 1.00 53.89 ? 197 ASN A O 1 ATOM 1499 C CB . ASN A 1 202 ? 199.661 68.708 44.099 1.00 35.16 ? 197 ASN A CB 1 ATOM 1500 C CG . ASN A 1 202 ? 199.898 68.761 45.593 1.00 50.01 ? 197 ASN A CG 1 ATOM 1501 O OD1 . ASN A 1 202 ? 201.040 68.745 46.054 1.00 58.19 ? 197 ASN A OD1 1 ATOM 1502 N ND2 . ASN A 1 202 ? 198.819 68.830 46.359 1.00 48.14 ? 197 ASN A ND2 1 ATOM 1503 N N . VAL A 1 203 ? 198.134 67.012 41.438 1.00 40.53 ? 198 VAL A N 1 ATOM 1504 C CA . VAL A 1 203 ? 198.175 66.675 40.022 1.00 33.52 ? 198 VAL A CA 1 ATOM 1505 C C . VAL A 1 203 ? 197.544 67.809 39.230 1.00 37.04 ? 198 VAL A C 1 ATOM 1506 O O . VAL A 1 203 ? 196.430 68.252 39.542 1.00 43.13 ? 198 VAL A O 1 ATOM 1507 C CB . VAL A 1 203 ? 197.461 65.340 39.756 1.00 39.16 ? 198 VAL A CB 1 ATOM 1508 C CG1 . VAL A 1 203 ? 197.594 64.942 38.289 1.00 32.20 ? 198 VAL A CG1 1 ATOM 1509 C CG2 . VAL A 1 203 ? 198.032 64.265 40.665 1.00 35.80 ? 198 VAL A CG2 1 ATOM 1510 N N . ASN A 1 204 ? 198.253 68.275 38.209 1.00 32.15 ? 199 ASN A N 1 ATOM 1511 C CA . ASN A 1 204 ? 197.753 69.303 37.314 1.00 35.45 ? 199 ASN A CA 1 ATOM 1512 C C . ASN A 1 204 ? 197.821 68.811 35.881 1.00 39.79 ? 199 ASN A C 1 ATOM 1513 O O . ASN A 1 204 ? 198.789 68.159 35.480 1.00 42.51 ? 199 ASN A O 1 ATOM 1514 C CB . ASN A 1 204 ? 198.544 70.609 37.456 1.00 39.66 ? 199 ASN A CB 1 ATOM 1515 C CG . ASN A 1 204 ? 198.149 71.387 38.691 1.00 54.02 ? 199 ASN A CG 1 ATOM 1516 O OD1 . ASN A 1 204 ? 197.256 72.240 38.651 1.00 61.64 ? 199 ASN A OD1 1 ATOM 1517 N ND2 . ASN A 1 204 ? 198.795 71.079 39.805 1.00 41.07 ? 199 ASN A ND2 1 ATOM 1518 N N . HIS A 1 205 ? 196.786 69.127 35.113 1.00 44.14 ? 200 HIS A N 1 ATOM 1519 C CA . HIS A 1 205 ? 196.720 68.790 33.696 1.00 32.87 ? 200 HIS A CA 1 ATOM 1520 C C . HIS A 1 205 ? 196.206 70.040 32.988 1.00 45.24 ? 200 HIS A C 1 ATOM 1521 O O . HIS A 1 205 ? 194.996 70.272 32.909 1.00 42.86 ? 200 HIS A O 1 ATOM 1522 C CB . HIS A 1 205 ? 195.830 67.580 33.450 1.00 40.16 ? 200 HIS A CB 1 ATOM 1523 C CG . HIS A 1 205 ? 195.832 67.119 32.026 1.00 52.63 ? 200 HIS A CG 1 ATOM 1524 N ND1 . HIS A 1 205 ? 194.710 67.166 31.227 1.00 54.14 ? 200 HIS A ND1 1 ATOM 1525 C CD2 . HIS A 1 205 ? 196.826 66.622 31.252 1.00 36.85 ? 200 HIS A CD2 1 ATOM 1526 C CE1 . HIS A 1 205 ? 195.011 66.710 30.024 1.00 50.58 ? 200 HIS A CE1 1 ATOM 1527 N NE2 . HIS A 1 205 ? 196.288 66.373 30.013 1.00 41.17 ? 200 HIS A NE2 1 ATOM 1528 N N . LYS A 1 206 ? 197.143 70.853 32.506 1.00 38.04 ? 201 LYS A N 1 ATOM 1529 C CA . LYS A 1 206 ? 196.813 72.115 31.851 1.00 43.13 ? 201 LYS A CA 1 ATOM 1530 C C . LYS A 1 206 ? 195.808 71.975 30.714 1.00 39.42 ? 201 LYS A C 1 ATOM 1531 O O . LYS A 1 206 ? 194.811 72.712 30.720 1.00 46.50 ? 201 LYS A O 1 ATOM 1532 C CB . LYS A 1 206 ? 198.113 72.773 31.367 1.00 34.50 ? 201 LYS A CB 1 ATOM 1533 C CG . LYS A 1 206 ? 197.914 74.114 30.680 1.00 45.24 ? 201 LYS A CG 1 ATOM 1534 C CD . LYS A 1 206 ? 199.207 74.603 30.027 1.00 47.40 ? 201 LYS A CD 1 ATOM 1535 C CE . LYS A 1 206 ? 198.939 75.818 29.159 1.00 59.89 ? 201 LYS A CE 1 ATOM 1536 N NZ . LYS A 1 206 ? 200.150 76.340 28.478 1.00 64.85 1 201 LYS A NZ 1 ATOM 1537 N N . PRO A 1 207 ? 195.978 71.073 29.739 1.00 42.20 ? 202 PRO A N 1 ATOM 1538 C CA . PRO A 1 207 ? 195.074 71.089 28.575 1.00 36.10 ? 202 PRO A CA 1 ATOM 1539 C C . PRO A 1 207 ? 193.616 70.872 28.918 1.00 46.92 ? 202 PRO A C 1 ATOM 1540 O O . PRO A 1 207 ? 192.749 71.327 28.165 1.00 48.53 ? 202 PRO A O 1 ATOM 1541 C CB . PRO A 1 207 ? 195.613 69.957 27.691 1.00 36.26 ? 202 PRO A CB 1 ATOM 1542 C CG . PRO A 1 207 ? 197.055 69.777 28.135 1.00 33.37 ? 202 PRO A CG 1 ATOM 1543 C CD . PRO A 1 207 ? 196.997 70.010 29.614 1.00 34.35 ? 202 PRO A CD 1 ATOM 1544 N N . SER A 1 208 ? 193.309 70.212 30.030 1.00 51.42 ? 203 SER A N 1 ATOM 1545 C CA . SER A 1 208 ? 191.931 70.014 30.455 1.00 47.94 ? 203 SER A CA 1 ATOM 1546 C C . SER A 1 208 ? 191.541 70.869 31.654 1.00 48.06 ? 203 SER A C 1 ATOM 1547 O O . SER A 1 208 ? 190.382 70.817 32.077 1.00 42.40 ? 203 SER A O 1 ATOM 1548 C CB . SER A 1 208 ? 191.693 68.535 30.783 1.00 46.31 ? 203 SER A CB 1 ATOM 1549 O OG . SER A 1 208 ? 192.395 68.163 31.958 1.00 48.81 ? 203 SER A OG 1 ATOM 1550 N N . ASN A 1 209 ? 192.474 71.642 32.218 1.00 44.00 ? 204 ASN A N 1 ATOM 1551 C CA . ASN A 1 209 ? 192.200 72.499 33.377 1.00 47.02 ? 204 ASN A CA 1 ATOM 1552 C C . ASN A 1 209 ? 191.815 71.665 34.599 1.00 46.66 ? 204 ASN A C 1 ATOM 1553 O O . ASN A 1 209 ? 190.971 72.057 35.404 1.00 46.55 ? 204 ASN A O 1 ATOM 1554 C CB . ASN A 1 209 ? 191.124 73.544 33.062 1.00 42.37 ? 204 ASN A CB 1 ATOM 1555 C CG . ASN A 1 209 ? 191.043 74.642 34.110 1.00 56.44 ? 204 ASN A CG 1 ATOM 1556 O OD1 . ASN A 1 209 ? 192.042 75.004 34.729 1.00 55.51 ? 204 ASN A OD1 1 ATOM 1557 N ND2 . ASN A 1 209 ? 189.843 75.172 34.317 1.00 53.32 ? 204 ASN A ND2 1 ATOM 1558 N N . THR A 1 210 ? 192.467 70.517 34.746 1.00 48.90 ? 205 THR A N 1 ATOM 1559 C CA . THR A 1 210 ? 192.232 69.608 35.858 1.00 49.32 ? 205 THR A CA 1 ATOM 1560 C C . THR A 1 210 ? 193.247 69.881 36.961 1.00 48.13 ? 205 THR A C 1 ATOM 1561 O O . THR A 1 210 ? 194.455 69.933 36.706 1.00 52.89 ? 205 THR A O 1 ATOM 1562 C CB . THR A 1 210 ? 192.356 68.152 35.388 1.00 58.47 ? 205 THR A CB 1 ATOM 1563 O OG1 . THR A 1 210 ? 191.352 67.865 34.407 1.00 60.99 ? 205 THR A OG1 1 ATOM 1564 C CG2 . THR A 1 210 ? 192.227 67.183 36.549 1.00 54.67 ? 205 THR A CG2 1 ATOM 1565 N N . LYS A 1 211 ? 192.758 70.049 38.182 1.00 48.20 ? 206 LYS A N 1 ATOM 1566 C CA . LYS A 1 211 ? 193.615 70.133 39.356 1.00 40.31 ? 206 LYS A CA 1 ATOM 1567 C C . LYS A 1 211 ? 193.017 69.255 40.442 1.00 50.06 ? 206 LYS A C 1 ATOM 1568 O O . LYS A 1 211 ? 191.854 69.435 40.818 1.00 54.31 ? 206 LYS A O 1 ATOM 1569 C CB . LYS A 1 211 ? 193.768 71.574 39.849 1.00 48.80 ? 206 LYS A CB 1 ATOM 1570 C CG . LYS A 1 211 ? 194.902 71.732 40.855 1.00 59.98 ? 206 LYS A CG 1 ATOM 1571 C CD . LYS A 1 211 ? 195.249 73.191 41.103 1.00 65.49 ? 206 LYS A CD 1 ATOM 1572 C CE . LYS A 1 211 ? 194.562 73.691 42.349 1.00 64.05 ? 206 LYS A CE 1 ATOM 1573 N NZ . LYS A 1 211 ? 194.834 72.757 43.482 1.00 75.14 1 206 LYS A NZ 1 ATOM 1574 N N . VAL A 1 212 ? 193.810 68.305 40.932 1.00 52.82 ? 207 VAL A N 1 ATOM 1575 C CA . VAL A 1 212 ? 193.388 67.336 41.934 1.00 46.08 ? 207 VAL A CA 1 ATOM 1576 C C . VAL A 1 212 ? 194.413 67.328 43.057 1.00 57.24 ? 207 VAL A C 1 ATOM 1577 O O . VAL A 1 212 ? 195.624 67.348 42.804 1.00 62.63 ? 207 VAL A O 1 ATOM 1578 C CB . VAL A 1 212 ? 193.255 65.916 41.338 1.00 43.48 ? 207 VAL A CB 1 ATOM 1579 C CG1 . VAL A 1 212 ? 192.705 64.951 42.386 1.00 42.09 ? 207 VAL A CG1 1 ATOM 1580 C CG2 . VAL A 1 212 ? 192.394 65.926 40.087 1.00 39.71 ? 207 VAL A CG2 1 ATOM 1581 N N . ASP A 1 213 ? 193.930 67.278 44.298 1.00 55.06 ? 208 ASP A N 1 ATOM 1582 C CA . ASP A 1 213 ? 194.781 67.146 45.480 1.00 49.23 ? 208 ASP A CA 1 ATOM 1583 C C . ASP A 1 213 ? 194.281 65.920 46.246 1.00 55.54 ? 208 ASP A C 1 ATOM 1584 O O . ASP A 1 213 ? 193.365 66.019 47.064 1.00 65.92 ? 208 ASP A O 1 ATOM 1585 C CB . ASP A 1 213 ? 194.763 68.431 46.327 1.00 49.62 ? 208 ASP A CB 1 ATOM 1586 C CG . ASP A 1 213 ? 195.498 69.597 45.649 1.00 77.29 ? 208 ASP A CG 1 ATOM 1587 O OD1 . ASP A 1 213 ? 196.331 69.344 44.752 1.00 86.00 ? 208 ASP A OD1 1 ATOM 1588 O OD2 . ASP A 1 213 ? 195.254 70.769 46.010 1.00 90.88 -1 208 ASP A OD2 1 ATOM 1589 N N . LYS A 1 214 ? 194.880 64.760 45.973 1.00 55.14 ? 209 LYS A N 1 ATOM 1590 C CA . LYS A 1 214 ? 194.432 63.486 46.526 1.00 52.11 ? 209 LYS A CA 1 ATOM 1591 C C . LYS A 1 214 ? 195.260 63.123 47.752 1.00 59.01 ? 209 LYS A C 1 ATOM 1592 O O . LYS A 1 214 ? 196.494 63.037 47.677 1.00 45.12 ? 209 LYS A O 1 ATOM 1593 C CB . LYS A 1 214 ? 194.528 62.366 45.483 1.00 52.74 ? 209 LYS A CB 1 ATOM 1594 C CG . LYS A 1 214 ? 193.660 61.143 45.786 1.00 56.35 ? 209 LYS A CG 1 ATOM 1595 C CD . LYS A 1 214 ? 192.179 61.440 45.552 1.00 64.33 ? 209 LYS A CD 1 ATOM 1596 C CE . LYS A 1 214 ? 191.299 60.219 45.815 1.00 71.40 ? 209 LYS A CE 1 ATOM 1597 N N . LYS A 1 215 ? 194.570 62.901 48.870 1.00 60.50 ? 210 LYS A N 1 ATOM 1598 C CA . LYS A 1 215 ? 195.188 62.502 50.129 1.00 42.39 ? 210 LYS A CA 1 ATOM 1599 C C . LYS A 1 215 ? 195.332 60.983 50.145 1.00 53.78 ? 210 LYS A C 1 ATOM 1600 O O . LYS A 1 215 ? 194.342 60.258 50.001 1.00 54.46 ? 210 LYS A O 1 ATOM 1601 C CB . LYS A 1 215 ? 194.343 62.989 51.306 1.00 42.41 ? 210 LYS A CB 1 ATOM 1602 C CG . LYS A 1 215 ? 194.814 62.558 52.690 1.00 50.54 ? 210 LYS A CG 1 ATOM 1603 C CD . LYS A 1 215 ? 193.661 62.643 53.692 1.00 70.28 ? 210 LYS A CD 1 ATOM 1604 C CE . LYS A 1 215 ? 194.069 63.335 54.988 1.00 83.60 ? 210 LYS A CE 1 ATOM 1605 N NZ . LYS A 1 215 ? 195.247 62.683 55.627 1.00 86.12 1 210 LYS A NZ 1 ATOM 1606 N N . VAL A 1 216 ? 196.564 60.506 50.298 1.00 55.10 ? 211 VAL A N 1 ATOM 1607 C CA . VAL A 1 216 ? 196.868 59.080 50.299 1.00 45.92 ? 211 VAL A CA 1 ATOM 1608 C C . VAL A 1 216 ? 196.947 58.620 51.749 1.00 56.76 ? 211 VAL A C 1 ATOM 1609 O O . VAL A 1 216 ? 197.722 59.165 52.543 1.00 63.37 ? 211 VAL A O 1 ATOM 1610 C CB . VAL A 1 216 ? 198.170 58.791 49.536 1.00 48.97 ? 211 VAL A CB 1 ATOM 1611 C CG1 . VAL A 1 216 ? 198.484 57.297 49.525 1.00 42.63 ? 211 VAL A CG1 1 ATOM 1612 C CG2 . VAL A 1 216 ? 198.065 59.332 48.115 1.00 41.36 ? 211 VAL A CG2 1 ATOM 1613 N N . GLU A 1 217 ? 196.134 57.631 52.102 1.00 58.93 ? 212 GLU A N 1 ATOM 1614 C CA . GLU A 1 217 ? 195.998 57.259 53.496 1.00 67.95 ? 212 GLU A CA 1 ATOM 1615 C C . GLU A 1 217 ? 196.367 55.801 53.715 1.00 68.95 ? 212 GLU A C 1 ATOM 1616 O O . GLU A 1 217 ? 196.236 54.981 52.804 1.00 64.62 ? 212 GLU A O 1 ATOM 1617 C CB . GLU A 1 217 ? 194.569 57.508 53.993 1.00 71.48 ? 212 GLU A CB 1 ATOM 1618 C CG . GLU A 1 217 ? 194.261 58.963 54.251 1.00 79.34 ? 212 GLU A CG 1 ATOM 1619 C CD . GLU A 1 217 ? 193.265 59.144 55.372 1.00 98.18 ? 212 GLU A CD 1 ATOM 1620 O OE1 . GLU A 1 217 ? 192.056 58.933 55.133 1.00 104.69 ? 212 GLU A OE1 1 ATOM 1621 O OE2 . GLU A 1 217 ? 193.699 59.479 56.498 1.00 105.22 -1 212 GLU A OE2 1 ATOM 1622 N N . PRO A 1 218 ? 196.831 55.452 54.916 1.00 78.98 ? 213 PRO A N 1 ATOM 1623 C CA . PRO A 1 218 ? 197.226 54.063 55.180 1.00 83.52 ? 213 PRO A CA 1 ATOM 1624 C C . PRO A 1 218 ? 196.048 53.103 55.091 1.00 85.74 ? 213 PRO A C 1 ATOM 1625 O O . PRO A 1 218 ? 194.928 53.424 55.494 1.00 80.18 ? 213 PRO A O 1 ATOM 1626 C CB . PRO A 1 218 ? 197.799 54.122 56.603 1.00 74.64 ? 213 PRO A CB 1 ATOM 1627 C CG . PRO A 1 218 ? 198.191 55.553 56.803 1.00 66.28 ? 213 PRO A CG 1 ATOM 1628 C CD . PRO A 1 218 ? 197.184 56.352 56.030 1.00 73.04 ? 213 PRO A CD 1 ATOM 1629 N N . LYS A 1 219 ? 196.325 51.915 54.550 1.00 97.46 ? 214 LYS A N 1 ATOM 1630 C CA . LYS A 1 219 ? 195.369 50.807 54.433 1.00 106.13 ? 214 LYS A CA 1 ATOM 1631 C C . LYS A 1 219 ? 194.039 51.221 53.804 1.00 106.27 ? 214 LYS A C 1 ATOM 1632 O O . LYS A 1 219 ? 193.607 50.640 52.807 1.00 101.56 ? 214 LYS A O 1 ATOM 1633 C CB . LYS A 1 219 ? 195.123 50.171 55.808 1.00 105.68 ? 214 LYS A CB 1 ATOM 1634 C CG . LYS A 1 219 ? 196.403 49.789 56.547 1.00 99.89 ? 214 LYS A CG 1 ATOM 1635 C CD . LYS A 1 219 ? 196.116 48.988 57.811 1.00 97.94 ? 214 LYS A CD 1 ATOM 1636 C CE . LYS A 1 219 ? 195.720 47.555 57.481 1.00 94.78 ? 214 LYS A CE 1 ATOM 1637 N NZ . LYS A 1 219 ? 195.510 46.734 58.703 1.00 89.80 1 214 LYS A NZ 1 ATOM 1638 N N . ASP B 2 1 ? 224.350 57.887 0.077 1.00 104.90 ? 1 ASP B N 1 ATOM 1639 C CA . ASP B 2 1 ? 223.611 57.666 1.325 1.00 111.78 ? 1 ASP B CA 1 ATOM 1640 C C . ASP B 2 1 ? 223.908 56.310 1.959 1.00 104.60 ? 1 ASP B C 1 ATOM 1641 O O . ASP B 2 1 ? 223.440 55.263 1.505 1.00 100.85 ? 1 ASP B O 1 ATOM 1642 C CB . ASP B 2 1 ? 222.112 57.808 1.094 1.00 109.31 ? 1 ASP B CB 1 ATOM 1643 C CG . ASP B 2 1 ? 221.706 59.239 0.873 1.00 98.74 ? 1 ASP B CG 1 ATOM 1644 O OD1 . ASP B 2 1 ? 221.110 59.833 1.797 1.00 97.38 ? 1 ASP B OD1 1 ATOM 1645 O OD2 . ASP B 2 1 ? 222.011 59.774 -0.217 1.00 85.05 -1 1 ASP B OD2 1 ATOM 1646 N N . ILE B 2 2 ? 224.663 56.369 3.051 1.00 89.18 ? 2 ILE B N 1 ATOM 1647 C CA . ILE B 2 2 ? 225.267 55.203 3.679 1.00 71.44 ? 2 ILE B CA 1 ATOM 1648 C C . ILE B 2 2 ? 224.568 54.956 5.012 1.00 69.71 ? 2 ILE B C 1 ATOM 1649 O O . ILE B 2 2 ? 223.705 55.738 5.422 1.00 73.52 ? 2 ILE B O 1 ATOM 1650 C CB . ILE B 2 2 ? 226.787 55.424 3.841 1.00 79.46 ? 2 ILE B CB 1 ATOM 1651 C CG1 . ILE B 2 2 ? 227.373 56.074 2.576 1.00 74.95 ? 2 ILE B CG1 1 ATOM 1652 C CG2 . ILE B 2 2 ? 227.520 54.114 4.086 1.00 93.78 ? 2 ILE B CG2 1 ATOM 1653 C CD1 . ILE B 2 2 ? 227.607 57.578 2.668 1.00 79.05 ? 2 ILE B CD1 1 ATOM 1654 N N . VAL B 2 3 ? 224.916 53.862 5.687 1.00 61.25 ? 3 VAL B N 1 ATOM 1655 C CA . VAL B 2 3 ? 224.405 53.546 7.018 1.00 59.36 ? 3 VAL B CA 1 ATOM 1656 C C . VAL B 2 3 ? 225.544 53.677 8.023 1.00 52.66 ? 3 VAL B C 1 ATOM 1657 O O . VAL B 2 3 ? 226.590 53.033 7.873 1.00 58.23 ? 3 VAL B O 1 ATOM 1658 C CB . VAL B 2 3 ? 223.794 52.139 7.074 1.00 61.41 ? 3 VAL B CB 1 ATOM 1659 C CG1 . VAL B 2 3 ? 223.450 51.788 8.510 1.00 39.39 ? 3 VAL B CG1 1 ATOM 1660 C CG2 . VAL B 2 3 ? 222.562 52.058 6.188 1.00 57.28 ? 3 VAL B CG2 1 ATOM 1661 N N . MET B 2 4 ? 225.339 54.510 9.045 1.00 45.85 ? 4 MET B N 1 ATOM 1662 C CA . MET B 2 4 ? 226.287 54.681 10.138 1.00 45.97 ? 4 MET B CA 1 ATOM 1663 C C . MET B 2 4 ? 225.887 53.786 11.301 1.00 52.34 ? 4 MET B C 1 ATOM 1664 O O . MET B 2 4 ? 224.754 53.858 11.783 1.00 51.55 ? 4 MET B O 1 ATOM 1665 C CB . MET B 2 4 ? 226.331 56.132 10.611 1.00 53.96 ? 4 MET B CB 1 ATOM 1666 C CG . MET B 2 4 ? 226.628 57.121 9.521 1.00 63.08 ? 4 MET B CG 1 ATOM 1667 S SD . MET B 2 4 ? 228.149 56.677 8.682 1.00 72.92 ? 4 MET B SD 1 ATOM 1668 C CE . MET B 2 4 ? 229.358 57.190 9.887 1.00 62.92 ? 4 MET B CE 1 ATOM 1669 N N . THR B 2 5 ? 226.819 52.961 11.758 1.00 56.90 ? 5 THR B N 1 ATOM 1670 C CA . THR B 2 5 ? 226.576 52.028 12.850 1.00 56.19 ? 5 THR B CA 1 ATOM 1671 C C . THR B 2 5 ? 227.368 52.489 14.065 1.00 54.17 ? 5 THR B C 1 ATOM 1672 O O . THR B 2 5 ? 228.593 52.632 13.995 1.00 57.56 ? 5 THR B O 1 ATOM 1673 C CB . THR B 2 5 ? 226.968 50.606 12.445 1.00 65.84 ? 5 THR B CB 1 ATOM 1674 O OG1 . THR B 2 5 ? 226.299 50.263 11.223 1.00 81.54 ? 5 THR B OG1 1 ATOM 1675 C CG2 . THR B 2 5 ? 226.584 49.608 13.527 1.00 57.28 ? 5 THR B CG2 1 ATOM 1676 N N . GLN B 2 6 ? 226.671 52.732 15.169 1.00 48.61 ? 6 GLN B N 1 ATOM 1677 C CA . GLN B 2 6 ? 227.306 53.163 16.404 1.00 55.21 ? 6 GLN B CA 1 ATOM 1678 C C . GLN B 2 6 ? 227.363 52.027 17.410 1.00 56.39 ? 6 GLN B C 1 ATOM 1679 O O . GLN B 2 6 ? 226.350 51.370 17.678 1.00 52.01 ? 6 GLN B O 1 ATOM 1680 C CB . GLN B 2 6 ? 226.568 54.339 17.018 1.00 50.95 ? 6 GLN B CB 1 ATOM 1681 C CG . GLN B 2 6 ? 227.194 55.636 16.683 1.00 56.87 ? 6 GLN B CG 1 ATOM 1682 C CD . GLN B 2 6 ? 226.436 56.759 17.293 1.00 51.38 ? 6 GLN B CD 1 ATOM 1683 O OE1 . GLN B 2 6 ? 225.550 57.331 16.663 1.00 49.75 ? 6 GLN B OE1 1 ATOM 1684 N NE2 . GLN B 2 6 ? 226.752 57.072 18.542 1.00 43.78 ? 6 GLN B NE2 1 ATOM 1685 N N . SER B 2 7 ? 228.541 51.827 17.986 1.00 66.60 ? 7 SER B N 1 ATOM 1686 C CA . SER B 2 7 ? 228.723 50.841 19.032 1.00 68.38 ? 7 SER B CA 1 ATOM 1687 C C . SER B 2 7 ? 229.514 51.455 20.181 1.00 67.81 ? 7 SER B C 1 ATOM 1688 O O . SER B 2 7 ? 230.485 52.176 19.954 1.00 70.99 ? 7 SER B O 1 ATOM 1689 C CB . SER B 2 7 ? 229.441 49.607 18.490 1.00 63.48 ? 7 SER B CB 1 ATOM 1690 O OG . SER B 2 7 ? 230.818 49.877 18.305 1.00 73.01 ? 7 SER B OG 1 ATOM 1691 N N . PRO B 2 8 ? 229.097 51.172 21.422 1.00 62.43 ? 8 PRO B N 1 ATOM 1692 C CA . PRO B 2 8 ? 227.899 50.380 21.708 1.00 51.01 ? 8 PRO B CA 1 ATOM 1693 C C . PRO B 2 8 ? 226.664 51.269 21.772 1.00 55.53 ? 8 PRO B C 1 ATOM 1694 O O . PRO B 2 8 ? 226.805 52.487 21.716 1.00 63.56 ? 8 PRO B O 1 ATOM 1695 C CB . PRO B 2 8 ? 228.217 49.758 23.063 1.00 48.90 ? 8 PRO B CB 1 ATOM 1696 C CG . PRO B 2 8 ? 229.082 50.784 23.727 1.00 46.57 ? 8 PRO B CG 1 ATOM 1697 C CD . PRO B 2 8 ? 229.871 51.465 22.642 1.00 54.70 ? 8 PRO B CD 1 ATOM 1698 N N . ASP B 2 9 ? 225.472 50.678 21.863 1.00 48.66 ? 9 ASP B N 1 ATOM 1699 C CA . ASP B 2 9 ? 224.263 51.489 21.917 1.00 49.81 ? 9 ASP B CA 1 ATOM 1700 C C . ASP B 2 9 ? 224.085 52.130 23.281 1.00 57.84 ? 9 ASP B C 1 ATOM 1701 O O . ASP B 2 9 ? 223.326 53.097 23.415 1.00 59.65 ? 9 ASP B O 1 ATOM 1702 C CB . ASP B 2 9 ? 223.043 50.632 21.561 1.00 66.32 ? 9 ASP B CB 1 ATOM 1703 C CG . ASP B 2 9 ? 223.136 50.035 20.158 1.00 92.45 ? 9 ASP B CG 1 ATOM 1704 O OD1 . ASP B 2 9 ? 223.709 50.697 19.263 1.00 105.71 ? 9 ASP B OD1 1 ATOM 1705 O OD2 . ASP B 2 9 ? 222.643 48.905 19.949 1.00 94.32 -1 9 ASP B OD2 1 ATOM 1706 N N . SER B 2 10 ? 224.793 51.622 24.283 1.00 53.42 ? 10 SER B N 1 ATOM 1707 C CA . SER B 2 10 ? 224.675 52.069 25.658 1.00 45.81 ? 10 SER B CA 1 ATOM 1708 C C . SER B 2 10 ? 226.018 51.826 26.328 1.00 45.74 ? 10 SER B C 1 ATOM 1709 O O . SER B 2 10 ? 226.666 50.807 26.084 1.00 53.16 ? 10 SER B O 1 ATOM 1710 C CB . SER B 2 10 ? 223.550 51.325 26.386 1.00 47.14 ? 10 SER B CB 1 ATOM 1711 O OG . SER B 2 10 ? 223.279 51.906 27.646 1.00 63.20 ? 10 SER B OG 1 ATOM 1712 N N . LEU B 2 11 ? 226.440 52.768 27.158 1.00 45.85 ? 11 LEU B N 1 ATOM 1713 C CA . LEU B 2 11 ? 227.787 52.739 27.712 1.00 47.42 ? 11 LEU B CA 1 ATOM 1714 C C . LEU B 2 11 ? 227.739 53.331 29.111 1.00 46.80 ? 11 LEU B C 1 ATOM 1715 O O . LEU B 2 11 ? 227.321 54.478 29.285 1.00 43.40 ? 11 LEU B O 1 ATOM 1716 C CB . LEU B 2 11 ? 228.749 53.522 26.817 1.00 39.43 ? 11 LEU B CB 1 ATOM 1717 C CG . LEU B 2 11 ? 230.183 53.659 27.304 1.00 53.47 ? 11 LEU B CG 1 ATOM 1718 C CD1 . LEU B 2 11 ? 230.790 52.290 27.520 1.00 46.95 ? 11 LEU B CD1 1 ATOM 1719 C CD2 . LEU B 2 11 ? 230.987 54.459 26.300 1.00 54.39 ? 11 LEU B CD2 1 ATOM 1720 N N . ALA B 2 12 ? 228.137 52.549 30.107 1.00 45.14 ? 12 ALA B N 1 ATOM 1721 C CA . ALA B 2 12 ? 228.150 52.998 31.491 1.00 33.81 ? 12 ALA B CA 1 ATOM 1722 C C . ALA B 2 12 ? 229.600 53.138 31.925 1.00 36.23 ? 12 ALA B C 1 ATOM 1723 O O . ALA B 2 12 ? 230.364 52.170 31.864 1.00 36.87 ? 12 ALA B O 1 ATOM 1724 C CB . ALA B 2 12 ? 227.396 52.030 32.401 1.00 31.72 ? 12 ALA B CB 1 ATOM 1725 N N . VAL B 2 13 ? 229.971 54.343 32.348 1.00 35.72 ? 13 VAL B N 1 ATOM 1726 C CA . VAL B 2 13 ? 231.349 54.701 32.660 1.00 44.27 ? 13 VAL B CA 1 ATOM 1727 C C . VAL B 2 13 ? 231.401 55.255 34.078 1.00 44.24 ? 13 VAL B C 1 ATOM 1728 O O . VAL B 2 13 ? 230.564 56.081 34.462 1.00 34.89 ? 13 VAL B O 1 ATOM 1729 C CB . VAL B 2 13 ? 231.898 55.736 31.653 1.00 52.87 ? 13 VAL B CB 1 ATOM 1730 C CG1 . VAL B 2 13 ? 233.356 56.045 31.932 1.00 53.24 ? 13 VAL B CG1 1 ATOM 1731 C CG2 . VAL B 2 13 ? 231.709 55.249 30.230 1.00 61.92 ? 13 VAL B CG2 1 ATOM 1732 N N . SER B 2 14 ? 232.382 54.798 34.855 1.00 34.88 ? 14 SER B N 1 ATOM 1733 C CA . SER B 2 14 ? 232.606 55.367 36.172 1.00 32.65 ? 14 SER B CA 1 ATOM 1734 C C . SER B 2 14 ? 233.068 56.812 36.043 1.00 39.02 ? 14 SER B C 1 ATOM 1735 O O . SER B 2 14 ? 233.733 57.189 35.071 1.00 38.57 ? 14 SER B O 1 ATOM 1736 C CB . SER B 2 14 ? 233.645 54.554 36.945 1.00 33.71 ? 14 SER B CB 1 ATOM 1737 O OG . SER B 2 14 ? 233.211 53.222 37.122 1.00 54.23 ? 14 SER B OG 1 ATOM 1738 N N . LEU B 2 15 ? 232.690 57.624 37.034 1.00 37.86 ? 15 LEU B N 1 ATOM 1739 C CA . LEU B 2 15 ? 233.109 59.019 37.082 1.00 30.90 ? 15 LEU B CA 1 ATOM 1740 C C . LEU B 2 15 ? 234.623 59.127 36.994 1.00 33.17 ? 15 LEU B C 1 ATOM 1741 O O . LEU B 2 15 ? 235.356 58.388 37.661 1.00 37.87 ? 15 LEU B O 1 ATOM 1742 C CB . LEU B 2 15 ? 232.612 59.675 38.370 1.00 34.85 ? 15 LEU B CB 1 ATOM 1743 C CG . LEU B 2 15 ? 231.153 60.127 38.400 1.00 47.19 ? 15 LEU B CG 1 ATOM 1744 C CD1 . LEU B 2 15 ? 230.869 60.892 39.690 1.00 45.97 ? 15 LEU B CD1 1 ATOM 1745 C CD2 . LEU B 2 15 ? 230.847 60.981 37.180 1.00 42.85 ? 15 LEU B CD2 1 ATOM 1746 N N . GLY B 2 16 ? 235.093 60.050 36.161 1.00 38.75 ? 16 GLY B N 1 ATOM 1747 C CA . GLY B 2 16 ? 236.511 60.233 35.977 1.00 38.33 ? 16 GLY B CA 1 ATOM 1748 C C . GLY B 2 16 ? 237.160 59.256 35.028 1.00 39.17 ? 16 GLY B C 1 ATOM 1749 O O . GLY B 2 16 ? 238.347 59.416 34.723 1.00 44.27 ? 16 GLY B O 1 ATOM 1750 N N . GLU B 2 17 ? 236.433 58.261 34.532 1.00 39.49 ? 17 GLU B N 1 ATOM 1751 C CA . GLU B 2 17 ? 237.059 57.282 33.662 1.00 41.88 ? 17 GLU B CA 1 ATOM 1752 C C . GLU B 2 17 ? 236.815 57.636 32.194 1.00 43.67 ? 17 GLU B C 1 ATOM 1753 O O . GLU B 2 17 ? 236.030 58.524 31.859 1.00 42.63 ? 17 GLU B O 1 ATOM 1754 C CB . GLU B 2 17 ? 236.561 55.874 34.000 1.00 34.61 ? 17 GLU B CB 1 ATOM 1755 C CG . GLU B 2 17 ? 236.656 55.545 35.491 1.00 58.80 ? 17 GLU B CG 1 ATOM 1756 C CD . GLU B 2 17 ? 237.777 54.568 35.850 1.00 81.33 ? 17 GLU B CD 1 ATOM 1757 O OE1 . GLU B 2 17 ? 237.509 53.344 35.924 1.00 83.89 ? 17 GLU B OE1 1 ATOM 1758 O OE2 . GLU B 2 17 ? 238.921 55.024 36.076 1.00 89.75 -1 17 GLU B OE2 1 ATOM 1759 N N . ARG B 2 18 ? 237.531 56.940 31.315 1.00 47.38 ? 18 ARG B N 1 ATOM 1760 C CA . ARG B 2 18 ? 237.520 57.206 29.884 1.00 33.98 ? 18 ARG B CA 1 ATOM 1761 C C . ARG B 2 18 ? 236.342 56.508 29.216 1.00 45.95 ? 18 ARG B C 1 ATOM 1762 O O . ARG B 2 18 ? 236.034 55.352 29.521 1.00 49.28 ? 18 ARG B O 1 ATOM 1763 C CB . ARG B 2 18 ? 238.833 56.731 29.266 1.00 46.80 ? 18 ARG B CB 1 ATOM 1764 C CG . ARG B 2 18 ? 239.070 57.133 27.838 1.00 70.24 ? 18 ARG B CG 1 ATOM 1765 C CD . ARG B 2 18 ? 240.572 57.139 27.568 1.00 85.51 ? 18 ARG B CD 1 ATOM 1766 N NE . ARG B 2 18 ? 240.910 56.456 26.325 1.00 97.88 ? 18 ARG B NE 1 ATOM 1767 C CZ . ARG B 2 18 ? 241.075 55.141 26.215 1.00 105.80 ? 18 ARG B CZ 1 ATOM 1768 N NH1 . ARG B 2 18 ? 240.931 54.359 27.279 1.00 101.79 1 18 ARG B NH1 1 ATOM 1769 N NH2 . ARG B 2 18 ? 241.380 54.609 25.039 1.00 111.88 ? 18 ARG B NH2 1 ATOM 1770 N N . ALA B 2 19 ? 235.674 57.225 28.314 1.00 44.55 ? 19 ALA B N 1 ATOM 1771 C CA . ALA B 2 19 ? 234.575 56.686 27.522 1.00 39.38 ? 19 ALA B CA 1 ATOM 1772 C C . ALA B 2 19 ? 234.929 56.778 26.043 1.00 44.49 ? 19 ALA B C 1 ATOM 1773 O O . ALA B 2 19 ? 235.416 57.815 25.580 1.00 57.59 ? 19 ALA B O 1 ATOM 1774 C CB . ALA B 2 19 ? 233.271 57.435 27.801 1.00 31.97 ? 19 ALA B CB 1 ATOM 1775 N N . THR B 2 20 ? 234.685 55.697 25.307 1.00 39.91 ? 20 THR B N 1 ATOM 1776 C CA A THR B 2 20 ? 234.983 55.623 23.883 0.68 45.52 ? 20 THR B CA 1 ATOM 1777 C CA B THR B 2 20 ? 234.980 55.630 23.883 0.32 46.47 ? 20 THR B CA 1 ATOM 1778 C C . THR B 2 20 ? 233.745 55.146 23.141 1.00 48.79 ? 20 THR B C 1 ATOM 1779 O O . THR B 2 20 ? 233.149 54.130 23.512 1.00 49.19 ? 20 THR B O 1 ATOM 1780 C CB A THR B 2 20 ? 236.167 54.682 23.612 0.68 51.87 ? 20 THR B CB 1 ATOM 1781 C CB B THR B 2 20 ? 236.167 54.701 23.592 0.32 51.84 ? 20 THR B CB 1 ATOM 1782 O OG1 A THR B 2 20 ? 237.395 55.343 23.947 0.68 55.72 ? 20 THR B OG1 1 ATOM 1783 O OG1 B THR B 2 20 ? 236.222 53.663 24.579 0.32 52.64 ? 20 THR B OG1 1 ATOM 1784 C CG2 A THR B 2 20 ? 236.203 54.261 22.149 0.68 53.15 ? 20 THR B CG2 1 ATOM 1785 C CG2 B THR B 2 20 ? 237.475 55.481 23.592 0.32 55.46 ? 20 THR B CG2 1 ATOM 1786 N N . ILE B 2 21 ? 233.360 55.881 22.102 1.00 46.99 ? 21 ILE B N 1 ATOM 1787 C CA . ILE B 2 21 ? 232.223 55.537 21.260 1.00 44.52 ? 21 ILE B CA 1 ATOM 1788 C C . ILE B 2 21 ? 232.737 55.322 19.846 1.00 50.19 ? 21 ILE B C 1 ATOM 1789 O O . ILE B 2 21 ? 233.548 56.112 19.348 1.00 43.57 ? 21 ILE B O 1 ATOM 1790 C CB . ILE B 2 21 ? 231.139 56.629 21.299 1.00 46.03 ? 21 ILE B CB 1 ATOM 1791 C CG1 . ILE B 2 21 ? 230.686 56.853 22.740 1.00 36.84 ? 21 ILE B CG1 1 ATOM 1792 C CG2 . ILE B 2 21 ? 229.957 56.244 20.415 1.00 59.01 ? 21 ILE B CG2 1 ATOM 1793 C CD1 . ILE B 2 21 ? 229.592 57.886 22.871 1.00 44.22 ? 21 ILE B CD1 1 ATOM 1794 N N . ASN B 2 22 ? 232.283 54.249 19.206 1.00 57.56 ? 22 ASN B N 1 ATOM 1795 C CA . ASN B 2 22 ? 232.734 53.900 17.868 1.00 58.42 ? 22 ASN B CA 1 ATOM 1796 C C . ASN B 2 22 ? 231.593 54.045 16.870 1.00 48.20 ? 22 ASN B C 1 ATOM 1797 O O . ASN B 2 22 ? 230.425 53.813 17.193 1.00 43.86 ? 22 ASN B O 1 ATOM 1798 C CB . ASN B 2 22 ? 233.295 52.475 17.834 1.00 68.93 ? 22 ASN B CB 1 ATOM 1799 C CG . ASN B 2 22 ? 234.487 52.301 18.757 1.00 87.57 ? 22 ASN B CG 1 ATOM 1800 O OD1 . ASN B 2 22 ? 235.466 53.046 18.672 1.00 91.10 ? 22 ASN B OD1 1 ATOM 1801 N ND2 . ASN B 2 22 ? 234.402 51.326 19.659 1.00 91.93 ? 22 ASN B ND2 1 ATOM 1802 N N . CYS B 2 23 ? 231.948 54.437 15.650 1.00 40.47 ? 23 CYS B N 1 ATOM 1803 C CA . CYS B 2 23 ? 230.971 54.657 14.593 1.00 56.01 ? 23 CYS B CA 1 ATOM 1804 C C . CYS B 2 23 ? 231.635 54.272 13.283 1.00 63.52 ? 23 CYS B C 1 ATOM 1805 O O . CYS B 2 23 ? 232.719 54.777 12.976 1.00 71.14 ? 23 CYS B O 1 ATOM 1806 C CB . CYS B 2 23 ? 230.502 56.121 14.597 1.00 62.61 ? 23 CYS B CB 1 ATOM 1807 S SG . CYS B 2 23 ? 229.589 56.745 13.175 1.00 76.63 ? 23 CYS B SG 1 ATOM 1808 N N . LYS B 2 24 ? 231.015 53.353 12.535 1.00 57.74 ? 24 LYS B N 1 ATOM 1809 C CA . LYS B 2 24 ? 231.539 52.935 11.241 1.00 54.97 ? 24 LYS B CA 1 ATOM 1810 C C . LYS B 2 24 ? 230.461 53.000 10.172 1.00 58.70 ? 24 LYS B C 1 ATOM 1811 O O . LYS B 2 24 ? 229.294 52.682 10.425 1.00 57.62 ? 24 LYS B O 1 ATOM 1812 C CB . LYS B 2 24 ? 232.124 51.526 11.288 1.00 62.34 ? 24 LYS B CB 1 ATOM 1813 C CG . LYS B 2 24 ? 231.258 50.502 11.980 1.00 72.97 ? 24 LYS B CG 1 ATOM 1814 C CD . LYS B 2 24 ? 232.096 49.276 12.311 1.00 86.44 ? 24 LYS B CD 1 ATOM 1815 C CE . LYS B 2 24 ? 233.370 49.686 13.049 1.00 84.59 ? 24 LYS B CE 1 ATOM 1816 N NZ . LYS B 2 24 ? 234.214 48.539 13.481 1.00 78.30 1 24 LYS B NZ 1 ATOM 1817 N N . SER B 2 25 ? 230.868 53.413 8.977 1.00 61.92 ? 25 SER B N 1 ATOM 1818 C CA . SER B 2 25 ? 229.983 53.458 7.828 1.00 58.45 ? 25 SER B CA 1 ATOM 1819 C C . SER B 2 25 ? 229.999 52.115 7.114 1.00 57.84 ? 25 SER B C 1 ATOM 1820 O O . SER B 2 25 ? 231.007 51.402 7.112 1.00 71.24 ? 25 SER B O 1 ATOM 1821 C CB . SER B 2 25 ? 230.399 54.570 6.862 1.00 59.95 ? 25 SER B CB 1 ATOM 1822 O OG . SER B 2 25 ? 231.617 54.255 6.206 1.00 75.28 ? 25 SER B OG 1 ATOM 1823 N N . SER B 2 26 ? 228.863 51.769 6.508 1.00 61.08 ? 26 SER B N 1 ATOM 1824 C CA . SER B 2 26 ? 228.791 50.530 5.743 1.00 68.66 ? 26 SER B CA 1 ATOM 1825 C C . SER B 2 26 ? 229.526 50.615 4.409 1.00 74.03 ? 26 SER B C 1 ATOM 1826 O O . SER B 2 26 ? 229.577 49.613 3.688 1.00 81.98 ? 26 SER B O 1 ATOM 1827 C CB . SER B 2 26 ? 227.330 50.137 5.519 1.00 60.53 ? 26 SER B CB 1 ATOM 1828 O OG . SER B 2 26 ? 226.614 51.181 4.888 1.00 76.88 ? 26 SER B OG 1 ATOM 1829 N N . GLN B 2 27 ? 230.097 51.769 4.071 1.00 80.02 ? 27 GLN B N 1 ATOM 1830 C CA . GLN B 2 27 ? 230.942 51.899 2.889 1.00 96.72 ? 27 GLN B CA 1 ATOM 1831 C C . GLN B 2 27 ? 232.395 52.152 3.280 1.00 103.37 ? 27 GLN B C 1 ATOM 1832 O O . GLN B 2 27 ? 233.285 51.378 2.927 1.00 111.95 ? 27 GLN B O 1 ATOM 1833 C CB . GLN B 2 27 ? 230.440 53.026 1.986 1.00 105.25 ? 27 GLN B CB 1 ATOM 1834 C CG . GLN B 2 27 ? 229.225 52.656 1.151 1.00 116.40 ? 27 GLN B CG 1 ATOM 1835 C CD . GLN B 2 27 ? 229.515 51.546 0.155 1.00 130.05 ? 27 GLN B CD 1 ATOM 1836 O OE1 . GLN B 2 27 ? 230.663 51.328 -0.239 1.00 137.34 ? 27 GLN B OE1 1 ATOM 1837 N NE2 . GLN B 2 27 ? 228.470 50.835 -0.256 1.00 131.07 ? 27 GLN B NE2 1 ATOM 1838 N N . LYS B 2 36 ? 238.677 64.893 2.574 1.00 104.28 ? 30 LYS B N 1 ATOM 1839 C CA . LYS B 2 36 ? 238.911 64.414 3.934 1.00 110.27 ? 30 LYS B CA 1 ATOM 1840 C C . LYS B 2 36 ? 237.686 63.692 4.508 1.00 108.88 ? 30 LYS B C 1 ATOM 1841 O O . LYS B 2 36 ? 236.813 63.235 3.765 1.00 109.78 ? 30 LYS B O 1 ATOM 1842 C CB . LYS B 2 36 ? 239.322 65.577 4.845 1.00 108.06 ? 30 LYS B CB 1 ATOM 1843 C CG . LYS B 2 36 ? 238.504 66.847 4.663 1.00 105.62 ? 30 LYS B CG 1 ATOM 1844 C CD . LYS B 2 36 ? 239.106 68.006 5.445 1.00 101.02 ? 30 LYS B CD 1 ATOM 1845 C CE . LYS B 2 36 ? 238.418 69.323 5.113 1.00 95.05 ? 30 LYS B CE 1 ATOM 1846 N NZ . LYS B 2 36 ? 239.089 70.482 5.770 1.00 89.33 1 30 LYS B NZ 1 ATOM 1847 N N . ASN B 2 37 ? 237.630 63.588 5.835 1.00 96.18 ? 31 ASN B N 1 ATOM 1848 C CA . ASN B 2 37 ? 236.596 62.825 6.528 1.00 88.39 ? 31 ASN B CA 1 ATOM 1849 C C . ASN B 2 37 ? 235.576 63.788 7.122 1.00 82.67 ? 31 ASN B C 1 ATOM 1850 O O . ASN B 2 37 ? 235.890 64.542 8.048 1.00 64.25 ? 31 ASN B O 1 ATOM 1851 C CB . ASN B 2 37 ? 237.215 61.951 7.614 1.00 85.12 ? 31 ASN B CB 1 ATOM 1852 C CG . ASN B 2 37 ? 238.294 61.042 7.079 1.00 91.36 ? 31 ASN B CG 1 ATOM 1853 O OD1 . ASN B 2 37 ? 239.417 61.033 7.583 1.00 97.13 ? 31 ASN B OD1 1 ATOM 1854 N ND2 . ASN B 2 37 ? 237.962 60.269 6.051 1.00 96.77 ? 31 ASN B ND2 1 ATOM 1855 N N . TYR B 2 38 ? 234.355 63.767 6.585 1.00 87.22 ? 32 TYR B N 1 ATOM 1856 C CA . TYR B 2 38 ? 233.271 64.590 7.115 1.00 82.87 ? 32 TYR B CA 1 ATOM 1857 C C . TYR B 2 38 ? 232.469 63.747 8.095 1.00 80.07 ? 32 TYR B C 1 ATOM 1858 O O . TYR B 2 38 ? 231.381 63.249 7.800 1.00 90.41 ? 32 TYR B O 1 ATOM 1859 C CB . TYR B 2 38 ? 232.381 65.125 6.005 1.00 87.68 ? 32 TYR B CB 1 ATOM 1860 C CG . TYR B 2 38 ? 233.110 65.772 4.865 1.00 102.32 ? 32 TYR B CG 1 ATOM 1861 C CD1 . TYR B 2 38 ? 233.872 66.918 5.059 1.00 105.64 ? 32 TYR B CD1 1 ATOM 1862 C CD2 . TYR B 2 38 ? 233.011 65.254 3.583 1.00 107.03 ? 32 TYR B CD2 1 ATOM 1863 C CE1 . TYR B 2 38 ? 234.531 67.516 4.004 1.00 107.83 ? 32 TYR B CE1 1 ATOM 1864 C CE2 . TYR B 2 38 ? 233.661 65.843 2.526 1.00 111.85 ? 32 TYR B CE2 1 ATOM 1865 C CZ . TYR B 2 38 ? 234.420 66.973 2.738 1.00 112.43 ? 32 TYR B CZ 1 ATOM 1866 O OH . TYR B 2 38 ? 235.068 67.555 1.674 1.00 117.06 ? 32 TYR B OH 1 ATOM 1867 N N . LEU B 2 39 ? 233.028 63.577 9.284 1.00 59.94 ? 33 LEU B N 1 ATOM 1868 C CA . LEU B 2 39 ? 232.300 62.991 10.391 1.00 46.00 ? 33 LEU B CA 1 ATOM 1869 C C . LEU B 2 39 ? 232.108 64.055 11.457 1.00 45.71 ? 33 LEU B C 1 ATOM 1870 O O . LEU B 2 39 ? 233.032 64.820 11.754 1.00 46.16 ? 33 LEU B O 1 ATOM 1871 C CB . LEU B 2 39 ? 233.022 61.776 10.970 1.00 55.19 ? 33 LEU B CB 1 ATOM 1872 C CG . LEU B 2 39 ? 232.085 60.989 11.888 1.00 58.88 ? 33 LEU B CG 1 ATOM 1873 C CD1 . LEU B 2 39 ? 231.525 59.751 11.199 1.00 54.90 ? 33 LEU B CD1 1 ATOM 1874 C CD2 . LEU B 2 39 ? 232.784 60.633 13.157 1.00 64.62 ? 33 LEU B CD2 1 ATOM 1875 N N . ALA B 2 40 ? 230.906 64.115 12.011 1.00 39.55 ? 34 ALA B N 1 ATOM 1876 C CA . ALA B 2 40 ? 230.587 65.046 13.078 1.00 49.54 ? 34 ALA B CA 1 ATOM 1877 C C . ALA B 2 40 ? 229.994 64.276 14.251 1.00 41.40 ? 34 ALA B C 1 ATOM 1878 O O . ALA B 2 40 ? 229.323 63.255 14.068 1.00 36.89 ? 34 ALA B O 1 ATOM 1879 C CB . ALA B 2 40 ? 229.611 66.140 12.596 1.00 34.81 ? 34 ALA B CB 1 ATOM 1880 N N . TRP B 2 41 ? 230.246 64.767 15.459 1.00 35.04 ? 35 TRP B N 1 ATOM 1881 C CA . TRP B 2 41 ? 229.700 64.172 16.670 1.00 35.92 ? 35 TRP B CA 1 ATOM 1882 C C . TRP B 2 41 ? 228.830 65.185 17.395 1.00 35.67 ? 35 TRP B C 1 ATOM 1883 O O . TRP B 2 41 ? 229.189 66.363 17.483 1.00 34.61 ? 35 TRP B O 1 ATOM 1884 C CB . TRP B 2 41 ? 230.800 63.707 17.606 1.00 35.18 ? 35 TRP B CB 1 ATOM 1885 C CG . TRP B 2 41 ? 231.575 62.530 17.124 1.00 40.35 ? 35 TRP B CG 1 ATOM 1886 C CD1 . TRP B 2 41 ? 232.770 62.552 16.470 1.00 35.50 ? 35 TRP B CD1 1 ATOM 1887 C CD2 . TRP B 2 41 ? 231.230 61.150 17.287 1.00 38.07 ? 35 TRP B CD2 1 ATOM 1888 N NE1 . TRP B 2 41 ? 233.191 61.271 16.208 1.00 35.61 ? 35 TRP B NE1 1 ATOM 1889 C CE2 . TRP B 2 41 ? 232.263 60.389 16.695 1.00 38.85 ? 35 TRP B CE2 1 ATOM 1890 C CE3 . TRP B 2 41 ? 230.149 60.482 17.867 1.00 35.62 ? 35 TRP B CE3 1 ATOM 1891 C CZ2 . TRP B 2 41 ? 232.247 58.992 16.669 1.00 38.47 ? 35 TRP B CZ2 1 ATOM 1892 C CZ3 . TRP B 2 41 ? 230.134 59.090 17.846 1.00 45.69 ? 35 TRP B CZ3 1 ATOM 1893 C CH2 . TRP B 2 41 ? 231.181 58.361 17.255 1.00 33.66 ? 35 TRP B CH2 1 ATOM 1894 N N . TYR B 2 42 ? 227.701 64.710 17.936 1.00 34.92 ? 36 TYR B N 1 ATOM 1895 C CA . TYR B 2 42 ? 226.717 65.553 18.600 1.00 29.44 ? 36 TYR B CA 1 ATOM 1896 C C . TYR B 2 42 ? 226.358 64.994 19.971 1.00 33.12 ? 36 TYR B C 1 ATOM 1897 O O . TYR B 2 42 ? 226.337 63.779 20.185 1.00 34.35 ? 36 TYR B O 1 ATOM 1898 C CB . TYR B 2 42 ? 225.431 65.673 17.793 1.00 29.74 ? 36 TYR B CB 1 ATOM 1899 C CG . TYR B 2 42 ? 225.584 66.225 16.407 1.00 39.25 ? 36 TYR B CG 1 ATOM 1900 C CD1 . TYR B 2 42 ? 225.928 65.398 15.344 1.00 38.21 ? 36 TYR B CD1 1 ATOM 1901 C CD2 . TYR B 2 42 ? 225.339 67.567 16.145 1.00 31.96 ? 36 TYR B CD2 1 ATOM 1902 C CE1 . TYR B 2 42 ? 226.053 65.898 14.068 1.00 40.92 ? 36 TYR B CE1 1 ATOM 1903 C CE2 . TYR B 2 42 ? 225.457 68.073 14.868 1.00 38.35 ? 36 TYR B CE2 1 ATOM 1904 C CZ . TYR B 2 42 ? 225.812 67.235 13.833 1.00 36.89 ? 36 TYR B CZ 1 ATOM 1905 O OH . TYR B 2 42 ? 225.935 67.738 12.560 1.00 46.05 ? 36 TYR B OH 1 ATOM 1906 N N . GLN B 2 43 ? 226.020 65.901 20.883 1.00 34.41 ? 37 GLN B N 1 ATOM 1907 C CA . GLN B 2 43 ? 225.573 65.566 22.228 1.00 33.91 ? 37 GLN B CA 1 ATOM 1908 C C . GLN B 2 43 ? 224.122 65.993 22.404 1.00 34.89 ? 37 GLN B C 1 ATOM 1909 O O . GLN B 2 43 ? 223.785 67.158 22.164 1.00 30.63 ? 37 GLN B O 1 ATOM 1910 C CB . GLN B 2 43 ? 226.444 66.267 23.261 1.00 34.56 ? 37 GLN B CB 1 ATOM 1911 C CG . GLN B 2 43 ? 226.033 66.020 24.682 1.00 40.91 ? 37 GLN B CG 1 ATOM 1912 C CD . GLN B 2 43 ? 226.835 66.866 25.645 1.00 41.62 ? 37 GLN B CD 1 ATOM 1913 O OE1 . GLN B 2 43 ? 226.762 68.092 25.603 1.00 44.31 ? 37 GLN B OE1 1 ATOM 1914 N NE2 . GLN B 2 43 ? 227.625 66.219 26.498 1.00 47.33 ? 37 GLN B NE2 1 ATOM 1915 N N . GLN B 2 44 ? 223.264 65.068 22.834 1.00 33.54 ? 38 GLN B N 1 ATOM 1916 C CA . GLN B 2 44 ? 221.858 65.387 23.058 1.00 38.09 ? 38 GLN B CA 1 ATOM 1917 C C . GLN B 2 44 ? 221.443 65.066 24.490 1.00 30.92 ? 38 GLN B C 1 ATOM 1918 O O . GLN B 2 44 ? 221.593 63.933 24.951 1.00 36.99 ? 38 GLN B O 1 ATOM 1919 C CB . GLN B 2 44 ? 220.945 64.646 22.084 1.00 28.36 ? 38 GLN B CB 1 ATOM 1920 C CG . GLN B 2 44 ? 219.513 65.142 22.176 1.00 27.28 ? 38 GLN B CG 1 ATOM 1921 C CD . GLN B 2 44 ? 218.617 64.552 21.113 1.00 35.36 ? 38 GLN B CD 1 ATOM 1922 O OE1 . GLN B 2 44 ? 218.726 63.371 20.780 1.00 40.04 ? 38 GLN B OE1 1 ATOM 1923 N NE2 . GLN B 2 44 ? 217.733 65.378 20.557 1.00 29.37 ? 38 GLN B NE2 1 ATOM 1924 N N . LYS B 2 45 ? 220.906 66.064 25.170 1.00 44.72 ? 39 LYS B N 1 ATOM 1925 C CA . LYS B 2 45 ? 220.337 65.975 26.502 1.00 42.86 ? 39 LYS B CA 1 ATOM 1926 C C . LYS B 2 45 ? 218.816 66.041 26.420 1.00 53.54 ? 39 LYS B C 1 ATOM 1927 O O . LYS B 2 45 ? 218.264 66.440 25.389 1.00 47.57 ? 39 LYS B O 1 ATOM 1928 C CB . LYS B 2 45 ? 220.887 67.114 27.372 1.00 34.42 ? 39 LYS B CB 1 ATOM 1929 C CG . LYS B 2 45 ? 222.369 66.936 27.643 1.00 41.53 ? 39 LYS B CG 1 ATOM 1930 C CD . LYS B 2 45 ? 222.900 67.924 28.638 1.00 43.57 ? 39 LYS B CD 1 ATOM 1931 C CE . LYS B 2 45 ? 224.361 67.617 28.947 1.00 46.26 ? 39 LYS B CE 1 ATOM 1932 N NZ . LYS B 2 45 ? 224.873 68.494 30.046 1.00 56.17 1 39 LYS B NZ 1 ATOM 1933 N N . PRO B 2 46 ? 218.101 65.624 27.466 1.00 60.85 ? 40 PRO B N 1 ATOM 1934 C CA . PRO B 2 46 ? 216.633 65.588 27.378 1.00 53.51 ? 40 PRO B CA 1 ATOM 1935 C C . PRO B 2 46 ? 216.035 66.961 27.101 1.00 47.09 ? 40 PRO B C 1 ATOM 1936 O O . PRO B 2 46 ? 216.490 67.982 27.623 1.00 53.80 ? 40 PRO B O 1 ATOM 1937 C CB . PRO B 2 46 ? 216.213 65.055 28.750 1.00 47.71 ? 40 PRO B CB 1 ATOM 1938 C CG . PRO B 2 46 ? 217.378 64.221 29.176 1.00 54.67 ? 40 PRO B CG 1 ATOM 1939 C CD . PRO B 2 46 ? 218.588 64.971 28.695 1.00 55.36 ? 40 PRO B CD 1 ATOM 1940 N N . GLY B 2 47 ? 215.010 66.974 26.250 1.00 46.15 ? 41 GLY B N 1 ATOM 1941 C CA . GLY B 2 47 ? 214.289 68.185 25.910 1.00 34.55 ? 41 GLY B CA 1 ATOM 1942 C C . GLY B 2 47 ? 215.056 69.183 25.079 1.00 48.59 ? 41 GLY B C 1 ATOM 1943 O O . GLY B 2 47 ? 214.597 70.320 24.928 1.00 57.30 ? 41 GLY B O 1 ATOM 1944 N N . GLN B 2 48 ? 216.205 68.804 24.528 1.00 38.78 ? 42 GLN B N 1 ATOM 1945 C CA . GLN B 2 48 ? 217.034 69.757 23.815 1.00 44.76 ? 42 GLN B CA 1 ATOM 1946 C C . GLN B 2 48 ? 217.440 69.210 22.456 1.00 48.05 ? 42 GLN B C 1 ATOM 1947 O O . GLN B 2 48 ? 217.514 67.991 22.266 1.00 42.66 ? 42 GLN B O 1 ATOM 1948 C CB . GLN B 2 48 ? 218.286 70.104 24.631 1.00 53.48 ? 42 GLN B CB 1 ATOM 1949 C CG . GLN B 2 48 ? 218.020 71.067 25.769 1.00 61.41 ? 42 GLN B CG 1 ATOM 1950 C CD . GLN B 2 48 ? 219.292 71.509 26.455 1.00 75.32 ? 42 GLN B CD 1 ATOM 1951 O OE1 . GLN B 2 48 ? 220.331 70.850 26.352 1.00 67.66 ? 42 GLN B OE1 1 ATOM 1952 N NE2 . GLN B 2 48 ? 219.223 72.638 27.154 1.00 91.48 ? 42 GLN B NE2 1 ATOM 1953 N N . PRO B 2 49 ? 217.691 70.086 21.486 1.00 43.10 ? 43 PRO B N 1 ATOM 1954 C CA . PRO B 2 49 ? 218.200 69.630 20.200 1.00 38.73 ? 43 PRO B CA 1 ATOM 1955 C C . PRO B 2 49 ? 219.623 69.133 20.352 1.00 41.02 ? 43 PRO B C 1 ATOM 1956 O O . PRO B 2 49 ? 220.311 69.495 21.318 1.00 47.08 ? 43 PRO B O 1 ATOM 1957 C CB . PRO B 2 49 ? 218.142 70.894 19.331 1.00 33.85 ? 43 PRO B CB 1 ATOM 1958 C CG . PRO B 2 49 ? 218.310 72.003 20.315 1.00 39.33 ? 43 PRO B CG 1 ATOM 1959 C CD . PRO B 2 49 ? 217.552 71.554 21.529 1.00 46.22 ? 43 PRO B CD 1 ATOM 1960 N N . PRO B 2 50 ? 220.100 68.308 19.425 1.00 48.01 ? 44 PRO B N 1 ATOM 1961 C CA . PRO B 2 50 ? 221.509 67.909 19.462 1.00 46.50 ? 44 PRO B CA 1 ATOM 1962 C C . PRO B 2 50 ? 222.416 69.131 19.400 1.00 41.52 ? 44 PRO B C 1 ATOM 1963 O O . PRO B 2 50 ? 222.080 70.154 18.791 1.00 44.75 ? 44 PRO B O 1 ATOM 1964 C CB . PRO B 2 50 ? 221.664 67.024 18.216 1.00 48.85 ? 44 PRO B CB 1 ATOM 1965 C CG . PRO B 2 50 ? 220.266 66.615 17.839 1.00 41.37 ? 44 PRO B CG 1 ATOM 1966 C CD . PRO B 2 50 ? 219.394 67.761 18.252 1.00 44.50 ? 44 PRO B CD 1 ATOM 1967 N N . LYS B 2 51 ? 223.568 69.024 20.057 1.00 30.73 ? 45 LYS B N 1 ATOM 1968 C CA . LYS B 2 51 ? 224.552 70.099 20.114 1.00 37.22 ? 45 LYS B CA 1 ATOM 1969 C C . LYS B 2 51 ? 225.855 69.617 19.489 1.00 37.75 ? 45 LYS B C 1 ATOM 1970 O O . LYS B 2 51 ? 226.392 68.578 19.887 1.00 36.77 ? 45 LYS B O 1 ATOM 1971 C CB . LYS B 2 51 ? 224.773 70.559 21.559 1.00 36.61 ? 45 LYS B CB 1 ATOM 1972 C CG . LYS B 2 51 ? 226.013 71.416 21.777 1.00 54.56 ? 45 LYS B CG 1 ATOM 1973 C CD . LYS B 2 51 ? 226.389 71.464 23.259 1.00 68.48 ? 45 LYS B CD 1 ATOM 1974 C CE . LYS B 2 51 ? 227.755 72.112 23.479 1.00 81.53 ? 45 LYS B CE 1 ATOM 1975 N NZ . LYS B 2 51 ? 228.329 71.789 24.821 1.00 90.55 1 45 LYS B NZ 1 ATOM 1976 N N . LEU B 2 52 ? 226.349 70.356 18.499 1.00 37.94 ? 46 LEU B N 1 ATOM 1977 C CA . LEU B 2 52 ? 227.552 69.939 17.790 1.00 36.61 ? 46 LEU B CA 1 ATOM 1978 C C . LEU B 2 52 ? 228.769 69.995 18.706 1.00 42.05 ? 46 LEU B C 1 ATOM 1979 O O . LEU B 2 52 ? 229.074 71.045 19.281 1.00 36.95 ? 46 LEU B O 1 ATOM 1980 C CB . LEU B 2 52 ? 227.782 70.818 16.568 1.00 41.73 ? 46 LEU B CB 1 ATOM 1981 C CG . LEU B 2 52 ? 229.047 70.570 15.744 1.00 46.61 ? 46 LEU B CG 1 ATOM 1982 C CD1 . LEU B 2 52 ? 229.119 69.141 15.252 1.00 34.44 ? 46 LEU B CD1 1 ATOM 1983 C CD2 . LEU B 2 52 ? 229.045 71.526 14.574 1.00 38.31 ? 46 LEU B CD2 1 ATOM 1984 N N . LEU B 2 53 ? 229.466 68.864 18.826 1.00 37.34 ? 47 LEU B N 1 ATOM 1985 C CA . LEU B 2 53 ? 230.712 68.763 19.578 1.00 43.15 ? 47 LEU B CA 1 ATOM 1986 C C . LEU B 2 53 ? 231.944 68.767 18.686 1.00 42.29 ? 47 LEU B C 1 ATOM 1987 O O . LEU B 2 53 ? 232.861 69.561 18.909 1.00 43.41 ? 47 LEU B O 1 ATOM 1988 C CB . LEU B 2 53 ? 230.728 67.491 20.431 1.00 40.30 ? 47 LEU B CB 1 ATOM 1989 C CG . LEU B 2 53 ? 229.743 67.366 21.585 1.00 45.17 ? 47 LEU B CG 1 ATOM 1990 C CD1 . LEU B 2 53 ? 230.054 66.093 22.336 1.00 49.93 ? 47 LEU B CD1 1 ATOM 1991 C CD2 . LEU B 2 53 ? 229.848 68.564 22.486 1.00 43.89 ? 47 LEU B CD2 1 ATOM 1992 N N . ILE B 2 54 ? 231.988 67.886 17.684 1.00 42.21 ? 48 ILE B N 1 ATOM 1993 C CA . ILE B 2 54 ? 233.157 67.663 16.841 1.00 41.06 ? 48 ILE B CA 1 ATOM 1994 C C . ILE B 2 54 ? 232.719 67.682 15.384 1.00 48.78 ? 48 ILE B C 1 ATOM 1995 O O . ILE B 2 54 ? 231.707 67.067 15.033 1.00 45.96 ? 48 ILE B O 1 ATOM 1996 C CB . ILE B 2 54 ? 233.834 66.304 17.146 1.00 43.18 ? 48 ILE B CB 1 ATOM 1997 C CG1 . ILE B 2 54 ? 234.195 66.163 18.629 1.00 39.96 ? 48 ILE B CG1 1 ATOM 1998 C CG2 . ILE B 2 54 ? 235.029 66.067 16.212 1.00 35.22 ? 48 ILE B CG2 1 ATOM 1999 C CD1 . ILE B 2 54 ? 235.208 67.155 19.125 1.00 45.09 ? 48 ILE B CD1 1 ATOM 2000 N N . TYR B 2 55 ? 233.500 68.344 14.529 1.00 49.90 ? 49 TYR B N 1 ATOM 2001 C CA . TYR B 2 55 ? 233.318 68.259 13.083 1.00 48.96 ? 49 TYR B CA 1 ATOM 2002 C C . TYR B 2 55 ? 234.662 67.986 12.411 1.00 47.07 ? 49 TYR B C 1 ATOM 2003 O O . TYR B 2 55 ? 235.725 68.118 13.023 1.00 52.24 ? 49 TYR B O 1 ATOM 2004 C CB . TYR B 2 55 ? 232.662 69.529 12.518 1.00 38.17 ? 49 TYR B CB 1 ATOM 2005 C CG . TYR B 2 55 ? 233.433 70.804 12.749 1.00 48.68 ? 49 TYR B CG 1 ATOM 2006 C CD1 . TYR B 2 55 ? 234.377 71.240 11.829 1.00 56.82 ? 49 TYR B CD1 1 ATOM 2007 C CD2 . TYR B 2 55 ? 233.207 71.585 13.874 1.00 48.35 ? 49 TYR B CD2 1 ATOM 2008 C CE1 . TYR B 2 55 ? 235.084 72.409 12.027 1.00 50.72 ? 49 TYR B CE1 1 ATOM 2009 C CE2 . TYR B 2 55 ? 233.913 72.760 14.081 1.00 42.68 ? 49 TYR B CE2 1 ATOM 2010 C CZ . TYR B 2 55 ? 234.846 73.163 13.153 1.00 49.86 ? 49 TYR B CZ 1 ATOM 2011 O OH . TYR B 2 55 ? 235.555 74.323 13.346 1.00 60.66 ? 49 TYR B OH 1 ATOM 2012 N N . TRP B 2 56 ? 234.603 67.592 11.136 1.00 50.22 ? 50 TRP B N 1 ATOM 2013 C CA . TRP B 2 56 ? 235.784 67.148 10.385 1.00 46.80 ? 50 TRP B CA 1 ATOM 2014 C C . TRP B 2 56 ? 236.551 66.078 11.158 1.00 52.17 ? 50 TRP B C 1 ATOM 2015 O O . TRP B 2 56 ? 237.785 66.088 11.223 1.00 59.41 ? 50 TRP B O 1 ATOM 2016 C CB . TRP B 2 56 ? 236.691 68.326 10.014 1.00 42.65 ? 50 TRP B CB 1 ATOM 2017 C CG . TRP B 2 56 ? 236.165 69.137 8.859 1.00 60.79 ? 50 TRP B CG 1 ATOM 2018 C CD1 . TRP B 2 56 ? 235.381 68.687 7.830 1.00 67.28 ? 50 TRP B CD1 1 ATOM 2019 C CD2 . TRP B 2 56 ? 236.367 70.538 8.622 1.00 70.42 ? 50 TRP B CD2 1 ATOM 2020 N NE1 . TRP B 2 56 ? 235.093 69.716 6.968 1.00 73.62 ? 50 TRP B NE1 1 ATOM 2021 C CE2 . TRP B 2 56 ? 235.683 70.863 7.430 1.00 77.41 ? 50 TRP B CE2 1 ATOM 2022 C CE3 . TRP B 2 56 ? 237.062 71.547 9.298 1.00 82.50 ? 50 TRP B CE3 1 ATOM 2023 C CZ2 . TRP B 2 56 ? 235.672 72.154 6.902 1.00 88.59 ? 50 TRP B CZ2 1 ATOM 2024 C CZ3 . TRP B 2 56 ? 237.052 72.831 8.768 1.00 89.10 ? 50 TRP B CZ3 1 ATOM 2025 C CH2 . TRP B 2 56 ? 236.361 73.121 7.583 1.00 91.76 ? 50 TRP B CH2 1 ATOM 2026 N N . ALA B 2 57 ? 235.794 65.160 11.767 1.00 54.42 ? 51 ALA B N 1 ATOM 2027 C CA . ALA B 2 57 ? 236.290 63.987 12.489 1.00 51.75 ? 51 ALA B CA 1 ATOM 2028 C C . ALA B 2 57 ? 236.988 64.330 13.799 1.00 53.02 ? 51 ALA B C 1 ATOM 2029 O O . ALA B 2 57 ? 236.890 63.575 14.772 1.00 52.19 ? 51 ALA B O 1 ATOM 2030 C CB . ALA B 2 57 ? 237.236 63.163 11.612 1.00 42.14 ? 51 ALA B CB 1 ATOM 2031 N N . SER B 2 58 ? 237.683 65.462 13.850 1.00 50.58 ? 52 SER B N 1 ATOM 2032 C CA . SER B 2 58 ? 238.547 65.730 14.993 1.00 42.52 ? 52 SER B CA 1 ATOM 2033 C C . SER B 2 58 ? 238.621 67.199 15.375 1.00 48.61 ? 52 SER B C 1 ATOM 2034 O O . SER B 2 58 ? 239.317 67.521 16.340 1.00 50.25 ? 52 SER B O 1 ATOM 2035 C CB . SER B 2 58 ? 239.963 65.204 14.711 1.00 44.51 ? 52 SER B CB 1 ATOM 2036 O OG . SER B 2 58 ? 240.535 65.851 13.581 1.00 61.45 ? 52 SER B OG 1 ATOM 2037 N N . THR B 2 59 ? 237.951 68.104 14.669 1.00 53.59 ? 53 THR B N 1 ATOM 2038 C CA . THR B 2 59 ? 238.006 69.511 15.035 1.00 52.21 ? 53 THR B CA 1 ATOM 2039 C C . THR B 2 59 ? 236.895 69.818 16.026 1.00 52.49 ? 53 THR B C 1 ATOM 2040 O O . THR B 2 59 ? 235.722 69.516 15.779 1.00 63.77 ? 53 THR B O 1 ATOM 2041 C CB . THR B 2 59 ? 237.904 70.416 13.814 1.00 52.82 ? 53 THR B CB 1 ATOM 2042 O OG1 . THR B 2 59 ? 239.040 70.191 12.967 1.00 56.43 ? 53 THR B OG1 1 ATOM 2043 C CG2 . THR B 2 59 ? 237.877 71.879 14.253 1.00 42.52 ? 53 THR B CG2 1 ATOM 2044 N N . ARG B 2 60 ? 237.281 70.390 17.155 1.00 47.67 ? 54 ARG B N 1 ATOM 2045 C CA . ARG B 2 60 ? 236.377 70.640 18.262 1.00 48.91 ? 54 ARG B CA 1 ATOM 2046 C C . ARG B 2 60 ? 235.700 71.997 18.095 1.00 50.46 ? 54 ARG B C 1 ATOM 2047 O O . ARG B 2 60 ? 236.362 73.003 17.823 1.00 59.37 ? 54 ARG B O 1 ATOM 2048 C CB . ARG B 2 60 ? 237.156 70.570 19.576 1.00 38.64 ? 54 ARG B CB 1 ATOM 2049 C CG . ARG B 2 60 ? 236.309 70.446 20.804 1.00 69.48 ? 54 ARG B CG 1 ATOM 2050 C CD . ARG B 2 60 ? 237.136 69.983 21.990 1.00 69.53 ? 54 ARG B CD 1 ATOM 2051 N NE . ARG B 2 60 ? 238.401 70.702 22.086 1.00 77.74 ? 54 ARG B NE 1 ATOM 2052 C CZ . ARG B 2 60 ? 239.592 70.136 21.932 1.00 82.53 ? 54 ARG B CZ 1 ATOM 2053 N NH1 . ARG B 2 60 ? 239.684 68.833 21.689 1.00 73.95 1 54 ARG B NH1 1 ATOM 2054 N NH2 . ARG B 2 60 ? 240.692 70.872 22.031 1.00 89.45 ? 54 ARG B NH2 1 ATOM 2055 N N . GLU B 2 61 ? 234.378 72.011 18.244 1.00 48.06 ? 55 GLU B N 1 ATOM 2056 C CA . GLU B 2 61 ? 233.594 73.238 18.221 1.00 53.47 ? 55 GLU B CA 1 ATOM 2057 C C . GLU B 2 61 ? 234.018 74.165 19.366 1.00 62.44 ? 55 GLU B C 1 ATOM 2058 O O . GLU B 2 61 ? 234.557 73.730 20.389 1.00 66.76 ? 55 GLU B O 1 ATOM 2059 C CB . GLU B 2 61 ? 232.100 72.890 18.310 1.00 53.59 ? 55 GLU B CB 1 ATOM 2060 C CG . GLU B 2 61 ? 231.119 74.067 18.302 1.00 69.58 ? 55 GLU B CG 1 ATOM 2061 C CD . GLU B 2 61 ? 230.806 74.580 16.908 1.00 77.35 ? 55 GLU B CD 1 ATOM 2062 O OE1 . GLU B 2 61 ? 231.182 73.909 15.925 1.00 81.99 ? 55 GLU B OE1 1 ATOM 2063 O OE2 . GLU B 2 61 ? 230.180 75.655 16.797 1.00 82.10 -1 55 GLU B OE2 1 ATOM 2064 N N . SER B 2 62 ? 233.773 75.464 19.179 1.00 60.76 ? 56 SER B N 1 ATOM 2065 C CA . SER B 2 62 ? 234.121 76.453 20.194 1.00 61.17 ? 56 SER B CA 1 ATOM 2066 C C . SER B 2 62 ? 233.317 76.239 21.474 1.00 65.40 ? 56 SER B C 1 ATOM 2067 O O . SER B 2 62 ? 232.137 75.875 21.438 1.00 61.73 ? 56 SER B O 1 ATOM 2068 C CB . SER B 2 62 ? 233.881 77.860 19.656 1.00 64.46 ? 56 SER B CB 1 ATOM 2069 O OG . SER B 2 62 ? 234.516 78.041 18.401 1.00 72.00 ? 56 SER B OG 1 ATOM 2070 N N . GLY B 2 63 ? 233.968 76.466 22.614 1.00 62.23 ? 57 GLY B N 1 ATOM 2071 C CA . GLY B 2 63 ? 233.332 76.260 23.901 1.00 65.71 ? 57 GLY B CA 1 ATOM 2072 C C . GLY B 2 63 ? 233.172 74.817 24.332 1.00 67.49 ? 57 GLY B C 1 ATOM 2073 O O . GLY B 2 63 ? 232.503 74.563 25.340 1.00 72.82 ? 57 GLY B O 1 ATOM 2074 N N . VAL B 2 64 ? 233.766 73.869 23.616 1.00 57.66 ? 58 VAL B N 1 ATOM 2075 C CA . VAL B 2 64 ? 233.623 72.445 23.906 1.00 57.32 ? 58 VAL B CA 1 ATOM 2076 C C . VAL B 2 64 ? 234.845 71.992 24.698 1.00 52.51 ? 58 VAL B C 1 ATOM 2077 O O . VAL B 2 64 ? 235.969 72.074 24.177 1.00 47.87 ? 58 VAL B O 1 ATOM 2078 C CB . VAL B 2 64 ? 233.465 71.614 22.623 1.00 54.54 ? 58 VAL B CB 1 ATOM 2079 C CG1 . VAL B 2 64 ? 233.500 70.133 22.955 1.00 51.79 ? 58 VAL B CG1 1 ATOM 2080 C CG2 . VAL B 2 64 ? 232.169 71.964 21.910 1.00 48.34 ? 58 VAL B CG2 1 ATOM 2081 N N . PRO B 2 65 ? 234.675 71.476 25.915 1.00 46.38 ? 59 PRO B N 1 ATOM 2082 C CA . PRO B 2 65 ? 235.823 71.151 26.770 1.00 48.74 ? 59 PRO B CA 1 ATOM 2083 C C . PRO B 2 65 ? 236.842 70.248 26.087 1.00 51.84 ? 59 PRO B C 1 ATOM 2084 O O . PRO B 2 65 ? 236.516 69.446 25.210 1.00 51.05 ? 59 PRO B O 1 ATOM 2085 C CB . PRO B 2 65 ? 235.180 70.442 27.968 1.00 55.09 ? 59 PRO B CB 1 ATOM 2086 C CG . PRO B 2 65 ? 233.774 70.916 27.989 1.00 51.85 ? 59 PRO B CG 1 ATOM 2087 C CD . PRO B 2 65 ? 233.388 71.164 26.560 1.00 48.27 ? 59 PRO B CD 1 ATOM 2088 N N . ASP B 2 66 ? 238.097 70.374 26.541 1.00 55.94 ? 60 ASP B N 1 ATOM 2089 C CA . ASP B 2 66 ? 239.212 69.638 25.947 1.00 64.07 ? 60 ASP B CA 1 ATOM 2090 C C . ASP B 2 66 ? 239.055 68.129 26.086 1.00 57.46 ? 60 ASP B C 1 ATOM 2091 O O . ASP B 2 66 ? 239.609 67.376 25.277 1.00 53.82 ? 60 ASP B O 1 ATOM 2092 C CB . ASP B 2 66 ? 240.532 70.060 26.595 1.00 84.71 ? 60 ASP B CB 1 ATOM 2093 C CG . ASP B 2 66 ? 240.785 71.543 26.495 1.00 108.32 ? 60 ASP B CG 1 ATOM 2094 O OD1 . ASP B 2 66 ? 240.368 72.148 25.483 1.00 121.82 ? 60 ASP B OD1 1 ATOM 2095 O OD2 . ASP B 2 66 ? 241.406 72.101 27.426 1.00 113.00 -1 60 ASP B OD2 1 ATOM 2096 N N . ARG B 2 67 ? 238.334 67.665 27.109 1.00 43.55 ? 61 ARG B N 1 ATOM 2097 C CA . ARG B 2 67 ? 238.212 66.230 27.338 1.00 49.50 ? 61 ARG B CA 1 ATOM 2098 C C . ARG B 2 67 ? 237.441 65.511 26.232 1.00 48.86 ? 61 ARG B C 1 ATOM 2099 O O . ARG B 2 67 ? 237.367 64.279 26.262 1.00 48.37 ? 61 ARG B O 1 ATOM 2100 C CB . ARG B 2 67 ? 237.553 65.960 28.697 1.00 47.97 ? 61 ARG B CB 1 ATOM 2101 C CG . ARG B 2 67 ? 236.151 66.527 28.841 1.00 50.74 ? 61 ARG B CG 1 ATOM 2102 C CD . ARG B 2 67 ? 235.536 66.174 30.193 1.00 54.46 ? 61 ARG B CD 1 ATOM 2103 N NE . ARG B 2 67 ? 234.168 66.675 30.304 1.00 49.20 ? 61 ARG B NE 1 ATOM 2104 C CZ . ARG B 2 67 ? 233.857 67.940 30.577 1.00 58.74 ? 61 ARG B CZ 1 ATOM 2105 N NH1 . ARG B 2 67 ? 234.819 68.836 30.770 1.00 66.15 1 61 ARG B NH1 1 ATOM 2106 N NH2 . ARG B 2 67 ? 232.585 68.310 30.654 1.00 45.61 ? 61 ARG B NH2 1 ATOM 2107 N N . PHE B 2 68 ? 236.881 66.235 25.265 1.00 43.66 ? 62 PHE B N 1 ATOM 2108 C CA . PHE B 2 68 ? 236.232 65.634 24.106 1.00 49.03 ? 62 PHE B CA 1 ATOM 2109 C C . PHE B 2 68 ? 237.201 65.633 22.931 1.00 51.90 ? 62 PHE B C 1 ATOM 2110 O O . PHE B 2 68 ? 237.752 66.680 22.577 1.00 52.49 ? 62 PHE B O 1 ATOM 2111 C CB . PHE B 2 68 ? 234.959 66.394 23.718 1.00 43.27 ? 62 PHE B CB 1 ATOM 2112 C CG . PHE B 2 68 ? 233.840 66.259 24.712 1.00 43.79 ? 62 PHE B CG 1 ATOM 2113 C CD1 . PHE B 2 68 ? 233.652 67.221 25.697 1.00 41.54 ? 62 PHE B CD1 1 ATOM 2114 C CD2 . PHE B 2 68 ? 232.965 65.180 24.653 1.00 37.07 ? 62 PHE B CD2 1 ATOM 2115 C CE1 . PHE B 2 68 ? 232.624 67.106 26.611 1.00 43.44 ? 62 PHE B CE1 1 ATOM 2116 C CE2 . PHE B 2 68 ? 231.925 65.059 25.567 1.00 40.05 ? 62 PHE B CE2 1 ATOM 2117 C CZ . PHE B 2 68 ? 231.757 66.020 26.550 1.00 40.30 ? 62 PHE B CZ 1 ATOM 2118 N N . SER B 2 69 ? 237.395 64.467 22.321 1.00 47.15 ? 63 SER B N 1 ATOM 2119 C CA . SER B 2 69 ? 238.223 64.370 21.130 1.00 49.39 ? 63 SER B CA 1 ATOM 2120 C C . SER B 2 69 ? 237.687 63.269 20.226 1.00 41.96 ? 63 SER B C 1 ATOM 2121 O O . SER B 2 69 ? 237.089 62.292 20.689 1.00 42.42 ? 63 SER B O 1 ATOM 2122 C CB . SER B 2 69 ? 239.691 64.101 21.476 1.00 53.09 ? 63 SER B CB 1 ATOM 2123 O OG . SER B 2 69 ? 239.853 62.806 22.016 1.00 64.81 ? 63 SER B OG 1 ATOM 2124 N N . GLY B 2 70 ? 237.898 63.449 18.923 1.00 42.47 ? 64 GLY B N 1 ATOM 2125 C CA . GLY B 2 70 ? 237.543 62.444 17.951 1.00 45.72 ? 64 GLY B CA 1 ATOM 2126 C C . GLY B 2 70 ? 238.729 62.129 17.069 1.00 48.90 ? 64 GLY B C 1 ATOM 2127 O O . GLY B 2 70 ? 239.680 62.906 16.959 1.00 48.33 ? 64 GLY B O 1 ATOM 2128 N N . SER B 2 71 ? 238.658 60.966 16.426 1.00 49.50 ? 65 SER B N 1 ATOM 2129 C CA . SER B 2 71 ? 239.743 60.494 15.578 1.00 51.52 ? 65 SER B CA 1 ATOM 2130 C C . SER B 2 71 ? 239.208 59.400 14.663 1.00 54.76 ? 65 SER B C 1 ATOM 2131 O O . SER B 2 71 ? 238.053 58.979 14.768 1.00 47.03 ? 65 SER B O 1 ATOM 2132 C CB . SER B 2 71 ? 240.914 59.986 16.418 1.00 54.04 ? 65 SER B CB 1 ATOM 2133 O OG . SER B 2 71 ? 240.461 59.021 17.351 1.00 69.24 ? 65 SER B OG 1 ATOM 2134 N N . GLY B 2 72 ? 240.071 58.926 13.782 1.00 66.00 ? 66 GLY B N 1 ATOM 2135 C CA . GLY B 2 72 ? 239.706 57.933 12.795 1.00 68.13 ? 66 GLY B CA 1 ATOM 2136 C C . GLY B 2 72 ? 239.769 58.491 11.384 1.00 69.19 ? 66 GLY B C 1 ATOM 2137 O O . GLY B 2 72 ? 239.860 59.698 11.152 1.00 62.35 ? 66 GLY B O 1 ATOM 2138 N N . SER B 2 73 ? 239.719 57.565 10.433 0.84 69.77 ? 67 SER B N 1 ATOM 2139 C CA . SER B 2 73 ? 239.804 57.912 9.026 0.84 77.29 ? 67 SER B CA 1 ATOM 2140 C C . SER B 2 73 ? 239.077 56.849 8.220 0.84 87.46 ? 67 SER B C 1 ATOM 2141 O O . SER B 2 73 ? 238.863 55.726 8.685 0.84 86.95 ? 67 SER B O 1 ATOM 2142 C CB . SER B 2 73 ? 241.259 58.040 8.563 0.84 77.08 ? 67 SER B CB 1 ATOM 2143 O OG . SER B 2 73 ? 241.322 58.319 7.177 0.84 83.97 ? 67 SER B OG 1 ATOM 2144 N N . GLY B 2 74 ? 238.692 57.225 7.002 1.00 94.50 ? 68 GLY B N 1 ATOM 2145 C CA . GLY B 2 74 ? 238.021 56.313 6.099 1.00 97.39 ? 68 GLY B CA 1 ATOM 2146 C C . GLY B 2 74 ? 236.657 55.865 6.578 1.00 94.61 ? 68 GLY B C 1 ATOM 2147 O O . GLY B 2 74 ? 235.645 56.511 6.287 1.00 90.89 ? 68 GLY B O 1 ATOM 2148 N N . THR B 2 75 ? 236.618 54.754 7.319 1.00 93.09 ? 69 THR B N 1 ATOM 2149 C CA . THR B 2 75 ? 235.360 54.153 7.738 1.00 89.01 ? 69 THR B CA 1 ATOM 2150 C C . THR B 2 75 ? 235.242 53.895 9.236 1.00 85.05 ? 69 THR B C 1 ATOM 2151 O O . THR B 2 75 ? 234.138 53.584 9.695 1.00 74.54 ? 69 THR B O 1 ATOM 2152 C CB . THR B 2 75 ? 235.130 52.828 6.994 1.00 89.15 ? 69 THR B CB 1 ATOM 2153 O OG1 . THR B 2 75 ? 236.189 51.917 7.310 1.00 91.30 ? 69 THR B OG1 1 ATOM 2154 C CG2 . THR B 2 75 ? 235.091 53.057 5.482 1.00 83.52 ? 69 THR B CG2 1 ATOM 2155 N N . ASP B 2 76 ? 236.324 54.001 10.006 1.00 85.41 ? 70 ASP B N 1 ATOM 2156 C CA . ASP B 2 76 ? 236.294 53.821 11.454 1.00 78.01 ? 70 ASP B CA 1 ATOM 2157 C C . ASP B 2 76 ? 236.510 55.164 12.137 1.00 61.58 ? 70 ASP B C 1 ATOM 2158 O O . ASP B 2 76 ? 237.425 55.908 11.774 1.00 71.91 ? 70 ASP B O 1 ATOM 2159 C CB . ASP B 2 76 ? 237.363 52.827 11.911 1.00 91.93 ? 70 ASP B CB 1 ATOM 2160 C CG . ASP B 2 76 ? 236.892 51.393 11.840 1.00 107.79 ? 70 ASP B CG 1 ATOM 2161 O OD1 . ASP B 2 76 ? 237.703 50.512 11.472 1.00 110.89 ? 70 ASP B OD1 1 ATOM 2162 O OD2 . ASP B 2 76 ? 235.710 51.147 12.160 1.00 112.34 -1 70 ASP B OD2 1 ATOM 2163 N N . PHE B 2 77 ? 235.675 55.471 13.126 1.00 49.70 ? 71 PHE B N 1 ATOM 2164 C CA . PHE B 2 77 ? 235.749 56.759 13.800 1.00 47.56 ? 71 PHE B CA 1 ATOM 2165 C C . PHE B 2 77 ? 235.404 56.595 15.270 1.00 52.28 ? 71 PHE B C 1 ATOM 2166 O O . PHE B 2 77 ? 234.569 55.765 15.646 1.00 45.39 ? 71 PHE B O 1 ATOM 2167 C CB . PHE B 2 77 ? 234.810 57.790 13.169 1.00 52.41 ? 71 PHE B CB 1 ATOM 2168 C CG . PHE B 2 77 ? 235.173 58.165 11.765 1.00 51.85 ? 71 PHE B CG 1 ATOM 2169 C CD1 . PHE B 2 77 ? 234.590 57.517 10.689 1.00 59.81 ? 71 PHE B CD1 1 ATOM 2170 C CD2 . PHE B 2 77 ? 236.094 59.168 11.518 1.00 53.91 ? 71 PHE B CD2 1 ATOM 2171 C CE1 . PHE B 2 77 ? 234.922 57.863 9.389 1.00 62.22 ? 71 PHE B CE1 1 ATOM 2172 C CE2 . PHE B 2 77 ? 236.428 59.519 10.222 1.00 58.45 ? 71 PHE B CE2 1 ATOM 2173 C CZ . PHE B 2 77 ? 235.841 58.864 9.157 1.00 54.84 ? 71 PHE B CZ 1 ATOM 2174 N N . THR B 2 78 ? 236.039 57.422 16.098 1.00 48.92 ? 72 THR B N 1 ATOM 2175 C CA . THR B 2 78 ? 235.957 57.274 17.541 1.00 38.92 ? 72 THR B CA 1 ATOM 2176 C C . THR B 2 78 ? 235.732 58.626 18.197 1.00 38.09 ? 72 THR B C 1 ATOM 2177 O O . THR B 2 78 ? 236.364 59.617 17.819 1.00 40.88 ? 72 THR B O 1 ATOM 2178 C CB . THR B 2 78 ? 237.233 56.616 18.085 1.00 52.12 ? 72 THR B CB 1 ATOM 2179 O OG1 . THR B 2 78 ? 237.270 55.244 17.673 1.00 58.71 ? 72 THR B OG1 1 ATOM 2180 C CG2 . THR B 2 78 ? 237.277 56.673 19.600 1.00 62.53 ? 72 THR B CG2 1 ATOM 2181 N N . LEU B 2 79 ? 234.818 58.659 19.166 1.00 40.54 ? 73 LEU B N 1 ATOM 2182 C CA . LEU B 2 79 ? 234.662 59.774 20.089 1.00 42.84 ? 73 LEU B CA 1 ATOM 2183 C C . LEU B 2 79 ? 235.170 59.341 21.455 1.00 41.89 ? 73 LEU B C 1 ATOM 2184 O O . LEU B 2 79 ? 234.855 58.242 21.923 1.00 46.58 ? 73 LEU B O 1 ATOM 2185 C CB . LEU B 2 79 ? 233.199 60.229 20.190 1.00 35.14 ? 73 LEU B CB 1 ATOM 2186 C CG . LEU B 2 79 ? 232.926 61.410 21.131 1.00 37.52 ? 73 LEU B CG 1 ATOM 2187 C CD1 . LEU B 2 79 ? 233.717 62.643 20.713 1.00 40.68 ? 73 LEU B CD1 1 ATOM 2188 C CD2 . LEU B 2 79 ? 231.448 61.727 21.181 1.00 34.96 ? 73 LEU B CD2 1 ATOM 2189 N N . THR B 2 80 ? 235.967 60.198 22.087 1.00 42.25 ? 74 THR B N 1 ATOM 2190 C CA . THR B 2 80 ? 236.588 59.877 23.366 1.00 46.02 ? 74 THR B CA 1 ATOM 2191 C C . THR B 2 80 ? 236.329 60.996 24.362 1.00 42.09 ? 74 THR B C 1 ATOM 2192 O O . THR B 2 80 ? 236.623 62.161 24.075 1.00 42.44 ? 74 THR B O 1 ATOM 2193 C CB . THR B 2 80 ? 238.099 59.657 23.211 1.00 50.31 ? 74 THR B CB 1 ATOM 2194 O OG1 . THR B 2 80 ? 238.330 58.501 22.399 1.00 63.76 ? 74 THR B OG1 1 ATOM 2195 C CG2 . THR B 2 80 ? 238.753 59.446 24.569 1.00 47.44 ? 74 THR B CG2 1 ATOM 2196 N N . ILE B 2 81 ? 235.778 60.641 25.523 1.00 41.96 ? 75 ILE B N 1 ATOM 2197 C CA . ILE B 2 81 ? 235.684 61.531 26.678 1.00 45.69 ? 75 ILE B CA 1 ATOM 2198 C C . ILE B 2 81 ? 236.695 61.033 27.700 1.00 55.30 ? 75 ILE B C 1 ATOM 2199 O O . ILE B 2 81 ? 236.511 59.966 28.299 1.00 57.53 ? 75 ILE B O 1 ATOM 2200 C CB . ILE B 2 81 ? 234.271 61.562 27.274 1.00 43.53 ? 75 ILE B CB 1 ATOM 2201 C CG1 . ILE B 2 81 ? 233.220 61.712 26.178 1.00 44.40 ? 75 ILE B CG1 1 ATOM 2202 C CG2 . ILE B 2 81 ? 234.148 62.706 28.262 1.00 39.86 ? 75 ILE B CG2 1 ATOM 2203 C CD1 . ILE B 2 81 ? 231.801 61.773 26.720 1.00 37.11 ? 75 ILE B CD1 1 ATOM 2204 N N . SER B 2 82 ? 237.761 61.803 27.912 1.00 61.59 ? 76 SER B N 1 ATOM 2205 C CA . SER B 2 82 ? 238.903 61.279 28.656 1.00 60.58 ? 76 SER B CA 1 ATOM 2206 C C . SER B 2 82 ? 238.631 61.178 30.154 1.00 62.37 ? 76 SER B C 1 ATOM 2207 O O . SER B 2 82 ? 239.195 60.306 30.824 1.00 80.52 ? 76 SER B O 1 ATOM 2208 C CB . SER B 2 82 ? 240.126 62.148 28.394 1.00 47.99 ? 76 SER B CB 1 ATOM 2209 O OG . SER B 2 82 ? 239.814 63.512 28.598 1.00 58.77 ? 76 SER B OG 1 ATOM 2210 N N . SER B 2 83 ? 237.781 62.048 30.697 1.00 49.98 ? 77 SER B N 1 ATOM 2211 C CA . SER B 2 83 ? 237.464 62.052 32.127 1.00 49.90 ? 77 SER B CA 1 ATOM 2212 C C . SER B 2 83 ? 235.978 62.381 32.256 1.00 48.45 ? 77 SER B C 1 ATOM 2213 O O . SER B 2 83 ? 235.591 63.552 32.216 1.00 60.59 ? 77 SER B O 1 ATOM 2214 C CB . SER B 2 83 ? 238.341 63.051 32.878 1.00 55.74 ? 77 SER B CB 1 ATOM 2215 O OG . SER B 2 83 ? 238.001 63.138 34.249 1.00 66.45 ? 77 SER B OG 1 ATOM 2216 N N . LEU B 2 84 ? 235.154 61.346 32.405 1.00 46.90 ? 78 LEU B N 1 ATOM 2217 C CA . LEU B 2 84 ? 233.701 61.505 32.370 1.00 40.33 ? 78 LEU B CA 1 ATOM 2218 C C . LEU B 2 84 ? 233.213 62.334 33.553 1.00 40.72 ? 78 LEU B C 1 ATOM 2219 O O . LEU B 2 84 ? 233.505 62.029 34.715 1.00 36.60 ? 78 LEU B O 1 ATOM 2220 C CB . LEU B 2 84 ? 233.034 60.123 32.369 1.00 42.16 ? 78 LEU B CB 1 ATOM 2221 C CG . LEU B 2 84 ? 231.569 59.849 31.986 1.00 50.53 ? 78 LEU B CG 1 ATOM 2222 C CD1 . LEU B 2 84 ? 230.614 60.216 33.102 1.00 55.99 ? 78 LEU B CD1 1 ATOM 2223 C CD2 . LEU B 2 84 ? 231.159 60.506 30.678 1.00 35.73 ? 78 LEU B CD2 1 ATOM 2224 N N . GLN B 2 85 ? 232.466 63.389 33.257 1.00 45.00 ? 79 GLN B N 1 ATOM 2225 C CA . GLN B 2 85 ? 231.833 64.195 34.286 1.00 32.10 ? 79 GLN B CA 1 ATOM 2226 C C . GLN B 2 85 ? 230.330 63.963 34.275 1.00 35.28 ? 79 GLN B C 1 ATOM 2227 O O . GLN B 2 85 ? 229.764 63.486 33.288 1.00 45.10 ? 79 GLN B O 1 ATOM 2228 C CB . GLN B 2 85 ? 232.147 65.678 34.094 1.00 34.19 ? 79 GLN B CB 1 ATOM 2229 C CG . GLN B 2 85 ? 233.156 66.172 35.082 1.00 51.49 ? 79 GLN B CG 1 ATOM 2230 C CD . GLN B 2 85 ? 234.367 66.714 34.407 1.00 70.52 ? 79 GLN B CD 1 ATOM 2231 O OE1 . GLN B 2 85 ? 234.325 67.797 33.830 1.00 81.71 ? 79 GLN B OE1 1 ATOM 2232 N NE2 . GLN B 2 85 ? 235.465 65.966 34.461 1.00 77.67 ? 79 GLN B NE2 1 ATOM 2233 N N . ALA B 2 86 ? 229.686 64.301 35.396 1.00 29.67 ? 80 ALA B N 1 ATOM 2234 C CA . ALA B 2 86 ? 228.247 64.071 35.512 1.00 41.15 ? 80 ALA B CA 1 ATOM 2235 C C . ALA B 2 86 ? 227.475 64.779 34.401 1.00 44.26 ? 80 ALA B C 1 ATOM 2236 O O . ALA B 2 86 ? 226.497 64.239 33.873 1.00 60.11 ? 80 ALA B O 1 ATOM 2237 C CB . ALA B 2 86 ? 227.754 64.525 36.886 1.00 36.39 ? 80 ALA B CB 1 ATOM 2238 N N . GLU B 2 87 ? 227.921 65.974 34.017 1.00 43.77 ? 81 GLU B N 1 ATOM 2239 C CA . GLU B 2 87 ? 227.285 66.741 32.954 1.00 42.94 ? 81 GLU B CA 1 ATOM 2240 C C . GLU B 2 87 ? 227.431 66.096 31.578 1.00 45.49 ? 81 GLU B C 1 ATOM 2241 O O . GLU B 2 87 ? 226.724 66.496 30.649 1.00 50.39 ? 81 GLU B O 1 ATOM 2242 C CB . GLU B 2 87 ? 227.879 68.149 32.925 1.00 44.20 ? 81 GLU B CB 1 ATOM 2243 C CG . GLU B 2 87 ? 229.373 68.167 33.223 1.00 70.88 ? 81 GLU B CG 1 ATOM 2244 C CD . GLU B 2 87 ? 229.978 69.556 33.142 1.00 99.66 ? 81 GLU B CD 1 ATOM 2245 O OE1 . GLU B 2 87 ? 231.039 69.707 32.495 1.00 106.53 ? 81 GLU B OE1 1 ATOM 2246 O OE2 . GLU B 2 87 ? 229.393 70.497 33.721 1.00 112.20 -1 81 GLU B OE2 1 ATOM 2247 N N . ASP B 2 88 ? 228.320 65.117 31.411 1.00 35.74 ? 82 ASP B N 1 ATOM 2248 C CA . ASP B 2 88 ? 228.492 64.494 30.098 1.00 33.05 ? 82 ASP B CA 1 ATOM 2249 C C . ASP B 2 88 ? 227.516 63.351 29.851 1.00 35.26 ? 82 ASP B C 1 ATOM 2250 O O . ASP B 2 88 ? 227.541 62.760 28.765 1.00 33.58 ? 82 ASP B O 1 ATOM 2251 C CB . ASP B 2 88 ? 229.923 63.978 29.925 1.00 34.32 ? 82 ASP B CB 1 ATOM 2252 C CG . ASP B 2 88 ? 230.967 65.062 30.113 1.00 51.48 ? 82 ASP B CG 1 ATOM 2253 O OD1 . ASP B 2 88 ? 230.683 66.240 29.787 1.00 64.84 ? 82 ASP B OD1 1 ATOM 2254 O OD2 . ASP B 2 88 ? 232.076 64.727 30.582 1.00 62.72 -1 82 ASP B OD2 1 ATOM 2255 N N . VAL B 2 89 ? 226.684 63.009 30.832 1.00 25.62 ? 83 VAL B N 1 ATOM 2256 C CA . VAL B 2 89 ? 225.622 62.034 30.617 1.00 40.65 ? 83 VAL B CA 1 ATOM 2257 C C . VAL B 2 89 ? 224.649 62.587 29.577 1.00 35.88 ? 83 VAL B C 1 ATOM 2258 O O . VAL B 2 89 ? 224.074 63.667 29.760 1.00 37.77 ? 83 VAL B O 1 ATOM 2259 C CB . VAL B 2 89 ? 224.929 61.701 31.941 1.00 34.79 ? 83 VAL B CB 1 ATOM 2260 C CG1 . VAL B 2 89 ? 223.616 61.007 31.694 1.00 40.33 ? 83 VAL B CG1 1 ATOM 2261 C CG2 . VAL B 2 89 ? 225.850 60.826 32.789 1.00 38.33 ? 83 VAL B CG2 1 ATOM 2262 N N . ALA B 2 90 ? 224.500 61.869 28.462 1.00 27.50 ? 84 ALA B N 1 ATOM 2263 C CA . ALA B 2 90 ? 223.692 62.297 27.322 1.00 26.56 ? 84 ALA B CA 1 ATOM 2264 C C . ALA B 2 90 ? 223.696 61.175 26.286 1.00 33.66 ? 84 ALA B C 1 ATOM 2265 O O . ALA B 2 90 ? 224.290 60.111 26.492 1.00 36.58 ? 84 ALA B O 1 ATOM 2266 C CB . ALA B 2 90 ? 224.205 63.604 26.712 1.00 30.80 ? 84 ALA B CB 1 ATOM 2267 N N . VAL B 2 91 ? 223.004 61.412 25.174 1.00 26.98 ? 85 VAL B N 1 ATOM 2268 C CA . VAL B 2 91 ? 223.076 60.544 24.002 1.00 32.98 ? 85 VAL B CA 1 ATOM 2269 C C . VAL B 2 91 ? 223.985 61.209 22.973 1.00 29.12 ? 85 VAL B C 1 ATOM 2270 O O . VAL B 2 91 ? 223.865 62.411 22.715 1.00 36.26 ? 85 VAL B O 1 ATOM 2271 C CB . VAL B 2 91 ? 221.676 60.273 23.422 1.00 37.68 ? 85 VAL B CB 1 ATOM 2272 C CG1 . VAL B 2 91 ? 221.755 59.284 22.270 1.00 24.61 ? 85 VAL B CG1 1 ATOM 2273 C CG2 . VAL B 2 91 ? 220.756 59.744 24.511 1.00 23.76 ? 85 VAL B CG2 1 ATOM 2274 N N . TYR B 2 92 ? 224.899 60.435 22.400 1.00 34.41 ? 86 TYR B N 1 ATOM 2275 C CA . TYR B 2 92 ? 225.861 60.927 21.421 1.00 27.78 ? 86 TYR B CA 1 ATOM 2276 C C . TYR B 2 92 ? 225.556 60.318 20.060 1.00 38.96 ? 86 TYR B C 1 ATOM 2277 O O . TYR B 2 92 ? 225.310 59.113 19.953 1.00 37.93 ? 86 TYR B O 1 ATOM 2278 C CB . TYR B 2 92 ? 227.293 60.602 21.855 1.00 26.44 ? 86 TYR B CB 1 ATOM 2279 C CG . TYR B 2 92 ? 227.674 61.338 23.118 1.00 33.05 ? 86 TYR B CG 1 ATOM 2280 C CD1 . TYR B 2 92 ? 227.305 60.858 24.362 1.00 34.64 ? 86 TYR B CD1 1 ATOM 2281 C CD2 . TYR B 2 92 ? 228.366 62.537 23.060 1.00 35.61 ? 86 TYR B CD2 1 ATOM 2282 C CE1 . TYR B 2 92 ? 227.630 61.546 25.517 1.00 33.15 ? 86 TYR B CE1 1 ATOM 2283 C CE2 . TYR B 2 92 ? 228.707 63.225 24.205 1.00 36.19 ? 86 TYR B CE2 1 ATOM 2284 C CZ . TYR B 2 92 ? 228.342 62.724 25.432 1.00 30.13 ? 86 TYR B CZ 1 ATOM 2285 O OH . TYR B 2 92 ? 228.660 63.413 26.583 1.00 34.51 ? 86 TYR B OH 1 ATOM 2286 N N . TYR B 2 93 ? 225.538 61.155 19.032 1.00 30.36 ? 87 TYR B N 1 ATOM 2287 C CA . TYR B 2 93 ? 225.318 60.709 17.667 1.00 27.96 ? 87 TYR B CA 1 ATOM 2288 C C . TYR B 2 93 ? 226.521 61.059 16.808 1.00 31.32 ? 87 TYR B C 1 ATOM 2289 O O . TYR B 2 93 ? 227.109 62.133 16.953 1.00 38.90 ? 87 TYR B O 1 ATOM 2290 C CB . TYR B 2 93 ? 224.074 61.356 17.056 1.00 30.91 ? 87 TYR B CB 1 ATOM 2291 C CG . TYR B 2 93 ? 222.782 61.006 17.743 1.00 28.64 ? 87 TYR B CG 1 ATOM 2292 C CD1 . TYR B 2 93 ? 222.011 59.926 17.318 1.00 28.69 ? 87 TYR B CD1 1 ATOM 2293 C CD2 . TYR B 2 93 ? 222.325 61.762 18.813 1.00 31.55 ? 87 TYR B CD2 1 ATOM 2294 C CE1 . TYR B 2 93 ? 220.813 59.609 17.953 1.00 31.37 ? 87 TYR B CE1 1 ATOM 2295 C CE2 . TYR B 2 93 ? 221.136 61.459 19.450 1.00 26.88 ? 87 TYR B CE2 1 ATOM 2296 C CZ . TYR B 2 93 ? 220.386 60.378 19.023 1.00 34.13 ? 87 TYR B CZ 1 ATOM 2297 O OH . TYR B 2 93 ? 219.199 60.086 19.665 1.00 39.38 ? 87 TYR B OH 1 ATOM 2298 N N . CYS B 2 94 ? 226.876 60.157 15.909 1.00 34.31 ? 88 CYS B N 1 ATOM 2299 C CA . CYS B 2 94 ? 227.768 60.525 14.827 1.00 41.05 ? 88 CYS B CA 1 ATOM 2300 C C . CYS B 2 94 ? 226.934 60.865 13.603 1.00 38.37 ? 88 CYS B C 1 ATOM 2301 O O . CYS B 2 94 ? 225.773 60.469 13.480 1.00 42.23 ? 88 CYS B O 1 ATOM 2302 C CB . CYS B 2 94 ? 228.763 59.402 14.510 1.00 31.21 ? 88 CYS B CB 1 ATOM 2303 S SG . CYS B 2 94 ? 228.019 57.850 13.963 1.00 56.95 ? 88 CYS B SG 1 ATOM 2304 N N . GLN B 2 95 ? 227.531 61.627 12.698 1.00 36.82 ? 89 GLN B N 1 ATOM 2305 C CA . GLN B 2 95 ? 226.838 62.009 11.477 1.00 35.00 ? 89 GLN B CA 1 ATOM 2306 C C . GLN B 2 95 ? 227.852 62.115 10.355 1.00 40.56 ? 89 GLN B C 1 ATOM 2307 O O . GLN B 2 95 ? 228.904 62.738 10.525 1.00 43.94 ? 89 GLN B O 1 ATOM 2308 C CB . GLN B 2 95 ? 226.081 63.331 11.668 1.00 33.84 ? 89 GLN B CB 1 ATOM 2309 C CG . GLN B 2 95 ? 225.509 63.932 10.396 1.00 45.49 ? 89 GLN B CG 1 ATOM 2310 C CD . GLN B 2 95 ? 226.168 65.252 10.037 1.00 53.52 ? 89 GLN B CD 1 ATOM 2311 O OE1 . GLN B 2 95 ? 226.459 66.076 10.908 1.00 53.10 ? 89 GLN B OE1 1 ATOM 2312 N NE2 . GLN B 2 95 ? 226.424 65.452 8.749 1.00 50.14 ? 89 GLN B NE2 1 ATOM 2313 N N . GLN B 2 96 ? 227.552 61.469 9.233 1.00 43.24 ? 90 GLN B N 1 ATOM 2314 C CA . GLN B 2 96 ? 228.328 61.616 8.008 1.00 48.39 ? 90 GLN B CA 1 ATOM 2315 C C . GLN B 2 96 ? 227.355 61.882 6.874 1.00 49.08 ? 90 GLN B C 1 ATOM 2316 O O . GLN B 2 96 ? 226.435 61.088 6.646 1.00 45.06 ? 90 GLN B O 1 ATOM 2317 C CB . GLN B 2 96 ? 229.170 60.375 7.710 1.00 42.46 ? 90 GLN B CB 1 ATOM 2318 C CG . GLN B 2 96 ? 230.061 60.540 6.497 1.00 58.47 ? 90 GLN B CG 1 ATOM 2319 C CD . GLN B 2 96 ? 231.015 59.380 6.312 1.00 70.98 ? 90 GLN B CD 1 ATOM 2320 O OE1 . GLN B 2 96 ? 230.611 58.216 6.329 1.00 74.80 ? 90 GLN B OE1 1 ATOM 2321 N NE2 . GLN B 2 96 ? 232.295 59.694 6.138 1.00 74.20 ? 90 GLN B NE2 1 ATOM 2322 N N . TYR B 2 97 ? 227.561 62.989 6.168 1.00 47.47 ? 91 TYR B N 1 ATOM 2323 C CA . TYR B 2 97 ? 226.614 63.485 5.161 1.00 43.63 ? 91 TYR B CA 1 ATOM 2324 C C . TYR B 2 97 ? 225.271 63.628 5.870 1.00 41.48 ? 91 TYR B C 1 ATOM 2325 O O . TYR B 2 97 ? 225.217 64.239 6.949 1.00 46.24 ? 91 TYR B O 1 ATOM 2326 C CB . TYR B 2 97 ? 226.634 62.585 3.935 1.00 43.45 ? 91 TYR B CB 1 ATOM 2327 C CG . TYR B 2 97 ? 227.940 62.682 3.193 1.00 48.53 ? 91 TYR B CG 1 ATOM 2328 C CD1 . TYR B 2 97 ? 228.292 63.849 2.532 1.00 49.72 ? 91 TYR B CD1 1 ATOM 2329 C CD2 . TYR B 2 97 ? 228.832 61.624 3.172 1.00 53.76 ? 91 TYR B CD2 1 ATOM 2330 C CE1 . TYR B 2 97 ? 229.491 63.962 1.870 1.00 56.46 ? 91 TYR B CE1 1 ATOM 2331 C CE2 . TYR B 2 97 ? 230.033 61.724 2.504 1.00 58.63 ? 91 TYR B CE2 1 ATOM 2332 C CZ . TYR B 2 97 ? 230.361 62.899 1.854 1.00 60.37 ? 91 TYR B CZ 1 ATOM 2333 O OH . TYR B 2 97 ? 231.563 63.011 1.181 1.00 54.94 ? 91 TYR B OH 1 ATOM 2334 N N . TYR B 2 98 ? 224.176 63.097 5.335 1.00 48.75 ? 96 TYR B N 1 ATOM 2335 C CA . TYR B 2 98 ? 222.869 63.262 5.957 1.00 53.02 ? 96 TYR B CA 1 ATOM 2336 C C . TYR B 2 98 ? 222.346 61.943 6.512 1.00 56.06 ? 96 TYR B C 1 ATOM 2337 O O . TYR B 2 98 ? 221.147 61.664 6.465 1.00 59.63 ? 96 TYR B O 1 ATOM 2338 C CB . TYR B 2 98 ? 221.911 63.905 4.958 1.00 54.40 ? 96 TYR B CB 1 ATOM 2339 C CG . TYR B 2 98 ? 222.647 64.966 4.190 1.00 50.58 ? 96 TYR B CG 1 ATOM 2340 C CD1 . TYR B 2 98 ? 223.281 66.010 4.859 1.00 45.58 ? 96 TYR B CD1 1 ATOM 2341 C CD2 . TYR B 2 98 ? 222.768 64.898 2.810 1.00 46.10 ? 96 TYR B CD2 1 ATOM 2342 C CE1 . TYR B 2 98 ? 223.994 66.970 4.176 1.00 44.51 ? 96 TYR B CE1 1 ATOM 2343 C CE2 . TYR B 2 98 ? 223.476 65.861 2.116 1.00 47.33 ? 96 TYR B CE2 1 ATOM 2344 C CZ . TYR B 2 98 ? 224.089 66.893 2.804 1.00 46.50 ? 96 TYR B CZ 1 ATOM 2345 O OH . TYR B 2 98 ? 224.799 67.851 2.114 1.00 51.78 ? 96 TYR B OH 1 ATOM 2346 N N . SER B 2 99 ? 223.256 61.128 7.038 1.00 48.07 ? 97 SER B N 1 ATOM 2347 C CA . SER B 2 99 ? 222.932 59.889 7.725 1.00 38.13 ? 97 SER B CA 1 ATOM 2348 C C . SER B 2 99 ? 223.422 60.001 9.154 1.00 45.71 ? 97 SER B C 1 ATOM 2349 O O . SER B 2 99 ? 224.580 60.357 9.384 1.00 52.29 ? 97 SER B O 1 ATOM 2350 C CB . SER B 2 99 ? 223.581 58.679 7.048 1.00 44.47 ? 97 SER B CB 1 ATOM 2351 O OG . SER B 2 99 ? 222.982 58.392 5.801 1.00 69.50 ? 97 SER B OG 1 ATOM 2352 N N . PHE B 2 100 ? 222.549 59.699 10.104 1.00 40.43 ? 98 PHE B N 1 ATOM 2353 C CA . PHE B 2 100 ? 222.901 59.720 11.510 1.00 39.03 ? 98 PHE B CA 1 ATOM 2354 C C . PHE B 2 100 ? 223.096 58.309 12.034 1.00 39.25 ? 98 PHE B C 1 ATOM 2355 O O . PHE B 2 100 ? 222.477 57.359 11.555 1.00 58.61 ? 98 PHE B O 1 ATOM 2356 C CB . PHE B 2 100 ? 221.833 60.426 12.332 1.00 34.68 ? 98 PHE B CB 1 ATOM 2357 C CG . PHE B 2 100 ? 221.841 61.905 12.172 1.00 38.33 ? 98 PHE B CG 1 ATOM 2358 C CD1 . PHE B 2 100 ? 221.064 62.511 11.197 1.00 45.99 ? 98 PHE B CD1 1 ATOM 2359 C CD2 . PHE B 2 100 ? 222.635 62.698 12.990 1.00 35.72 ? 98 PHE B CD2 1 ATOM 2360 C CE1 . PHE B 2 100 ? 221.068 63.890 11.043 1.00 46.49 ? 98 PHE B CE1 1 ATOM 2361 C CE2 . PHE B 2 100 ? 222.648 64.077 12.843 1.00 42.34 ? 98 PHE B CE2 1 ATOM 2362 C CZ . PHE B 2 100 ? 221.862 64.675 11.863 1.00 36.88 ? 98 PHE B CZ 1 ATOM 2363 N N . GLY B 2 101 ? 223.986 58.183 13.010 1.00 40.24 ? 99 GLY B N 1 ATOM 2364 C CA . GLY B 2 101 ? 224.090 56.947 13.750 1.00 38.10 ? 99 GLY B CA 1 ATOM 2365 C C . GLY B 2 101 ? 222.899 56.757 14.663 1.00 37.04 ? 99 GLY B C 1 ATOM 2366 O O . GLY B 2 101 ? 222.137 57.685 14.944 1.00 48.79 ? 99 GLY B O 1 ATOM 2367 N N . GLY B 2 102 ? 222.737 55.522 15.135 1.00 35.09 ? 100 GLY B N 1 ATOM 2368 C CA . GLY B 2 102 ? 221.589 55.193 15.966 1.00 33.67 ? 100 GLY B CA 1 ATOM 2369 C C . GLY B 2 102 ? 221.610 55.830 17.339 1.00 39.94 ? 100 GLY B C 1 ATOM 2370 O O . GLY B 2 102 ? 220.559 55.914 17.989 1.00 48.07 ? 100 GLY B O 1 ATOM 2371 N N . GLY B 2 103 ? 222.768 56.292 17.785 1.00 38.23 ? 101 GLY B N 1 ATOM 2372 C CA . GLY B 2 103 ? 222.925 56.924 19.077 1.00 35.17 ? 101 GLY B CA 1 ATOM 2373 C C . GLY B 2 103 ? 223.615 56.000 20.069 1.00 43.75 ? 101 GLY B C 1 ATOM 2374 O O . GLY B 2 103 ? 223.526 54.768 19.984 1.00 45.41 ? 101 GLY B O 1 ATOM 2375 N N . THR B 2 104 ? 224.327 56.607 21.018 1.00 42.56 ? 102 THR B N 1 ATOM 2376 C CA . THR B 2 104 ? 224.930 55.897 22.141 1.00 38.61 ? 102 THR B CA 1 ATOM 2377 C C . THR B 2 104 ? 224.560 56.637 23.413 1.00 38.31 ? 102 THR B C 1 ATOM 2378 O O . THR B 2 104 ? 224.905 57.812 23.566 1.00 41.73 ? 102 THR B O 1 ATOM 2379 C CB . THR B 2 104 ? 226.452 55.811 22.010 1.00 44.34 ? 102 THR B CB 1 ATOM 2380 O OG1 . THR B 2 104 ? 226.789 54.974 20.900 1.00 54.49 ? 102 THR B OG1 1 ATOM 2381 C CG2 . THR B 2 104 ? 227.062 55.237 23.291 1.00 36.77 ? 102 THR B CG2 1 ATOM 2382 N N . LYS B 2 105 ? 223.850 55.963 24.312 1.00 33.40 ? 103 LYS B N 1 ATOM 2383 C CA . LYS B 2 105 ? 223.457 56.570 25.572 1.00 33.83 ? 103 LYS B CA 1 ATOM 2384 C C . LYS B 2 105 ? 224.562 56.340 26.597 1.00 40.68 ? 103 LYS B C 1 ATOM 2385 O O . LYS B 2 105 ? 224.990 55.201 26.814 1.00 50.77 ? 103 LYS B O 1 ATOM 2386 C CB . LYS B 2 105 ? 222.125 56.004 26.060 1.00 32.72 ? 103 LYS B CB 1 ATOM 2387 C CG . LYS B 2 105 ? 221.425 56.907 27.055 1.00 38.48 ? 103 LYS B CG 1 ATOM 2388 C CD . LYS B 2 105 ? 220.023 56.419 27.377 1.00 50.54 ? 103 LYS B CD 1 ATOM 2389 C CE . LYS B 2 105 ? 219.301 57.391 28.307 1.00 51.39 ? 103 LYS B CE 1 ATOM 2390 N N . VAL B 2 106 ? 225.043 57.427 27.195 1.00 32.10 ? 104 VAL B N 1 ATOM 2391 C CA . VAL B 2 106 ? 226.170 57.400 28.121 1.00 33.76 ? 104 VAL B CA 1 ATOM 2392 C C . VAL B 2 106 ? 225.640 57.721 29.508 1.00 38.51 ? 104 VAL B C 1 ATOM 2393 O O . VAL B 2 106 ? 225.009 58.767 29.711 1.00 35.43 ? 104 VAL B O 1 ATOM 2394 C CB . VAL B 2 106 ? 227.268 58.390 27.708 1.00 38.71 ? 104 VAL B CB 1 ATOM 2395 C CG1 . VAL B 2 106 ? 228.311 58.514 28.814 1.00 30.48 ? 104 VAL B CG1 1 ATOM 2396 C CG2 . VAL B 2 106 ? 227.911 57.948 26.409 1.00 33.47 ? 104 VAL B CG2 1 ATOM 2397 N N . GLU B 2 107 ? 225.894 56.825 30.463 1.00 41.29 ? 105 GLU B N 1 ATOM 2398 C CA . GLU B 2 107 ? 225.387 56.954 31.824 1.00 42.10 ? 105 GLU B CA 1 ATOM 2399 C C . GLU B 2 107 ? 226.506 56.715 32.832 1.00 41.33 ? 105 GLU B C 1 ATOM 2400 O O . GLU B 2 107 ? 227.613 56.289 32.485 1.00 32.18 ? 105 GLU B O 1 ATOM 2401 C CB . GLU B 2 107 ? 224.221 55.986 32.078 1.00 43.57 ? 105 GLU B CB 1 ATOM 2402 C CG . GLU B 2 107 ? 224.427 54.579 31.554 1.00 60.47 ? 105 GLU B CG 1 ATOM 2403 N N . ILE B 2 108 ? 226.208 57.009 34.094 1.00 37.84 ? 106 ILE B N 1 ATOM 2404 C CA . ILE B 2 108 ? 227.151 56.777 35.182 1.00 32.91 ? 106 ILE B CA 1 ATOM 2405 C C . ILE B 2 108 ? 227.089 55.315 35.589 1.00 36.82 ? 106 ILE B C 1 ATOM 2406 O O . ILE B 2 108 ? 226.014 54.793 35.897 1.00 36.77 ? 106 ILE B O 1 ATOM 2407 C CB . ILE B 2 108 ? 226.830 57.668 36.394 1.00 44.92 ? 106 ILE B CB 1 ATOM 2408 C CG1 . ILE B 2 108 ? 226.839 59.154 36.035 1.00 25.46 ? 106 ILE B CG1 1 ATOM 2409 C CG2 . ILE B 2 108 ? 227.790 57.371 37.520 1.00 26.20 ? 106 ILE B CG2 1 ATOM 2410 C CD1 . ILE B 2 108 ? 228.107 59.594 35.425 1.00 48.73 ? 106 ILE B CD1 1 ATOM 2411 N N . LYS B 2 109 ? 228.242 54.660 35.631 1.00 37.13 ? 107 LYS B N 1 ATOM 2412 C CA . LYS B 2 109 ? 228.344 53.338 36.235 1.00 28.43 ? 107 LYS B CA 1 ATOM 2413 C C . LYS B 2 109 ? 228.580 53.476 37.738 1.00 34.63 ? 107 LYS B C 1 ATOM 2414 O O . LYS B 2 109 ? 229.438 54.249 38.171 1.00 46.50 ? 107 LYS B O 1 ATOM 2415 C CB . LYS B 2 109 ? 229.472 52.530 35.587 1.00 43.68 ? 107 LYS B CB 1 ATOM 2416 C CG . LYS B 2 109 ? 229.739 51.171 36.237 1.00 50.36 ? 107 LYS B CG 1 ATOM 2417 C CD . LYS B 2 109 ? 231.086 50.609 35.788 1.00 62.87 ? 107 LYS B CD 1 ATOM 2418 C CE . LYS B 2 109 ? 230.940 49.652 34.620 1.00 67.30 ? 107 LYS B CE 1 ATOM 2419 N NZ . LYS B 2 109 ? 230.276 48.387 35.044 1.00 68.36 1 107 LYS B NZ 1 ATOM 2420 N N . ARG B 2 110 ? 227.798 52.742 38.525 1.00 40.78 ? 108 ARG B N 1 ATOM 2421 C CA . ARG B 2 110 ? 227.925 52.658 39.976 1.00 29.71 ? 108 ARG B CA 1 ATOM 2422 C C . ARG B 2 110 ? 227.828 51.194 40.379 1.00 29.80 ? 108 ARG B C 1 ATOM 2423 O O . ARG B 2 110 ? 227.540 50.320 39.553 1.00 39.91 ? 108 ARG B O 1 ATOM 2424 C CB . ARG B 2 110 ? 226.836 53.474 40.691 1.00 29.87 ? 108 ARG B CB 1 ATOM 2425 C CG . ARG B 2 110 ? 225.423 53.027 40.361 1.00 32.97 ? 108 ARG B CG 1 ATOM 2426 C CD . ARG B 2 110 ? 224.475 53.303 41.504 1.00 38.72 ? 108 ARG B CD 1 ATOM 2427 N NE . ARG B 2 110 ? 224.754 52.442 42.650 1.00 32.94 ? 108 ARG B NE 1 ATOM 2428 C CZ . ARG B 2 110 ? 224.372 52.711 43.896 1.00 35.22 ? 108 ARG B CZ 1 ATOM 2429 N NH1 . ARG B 2 110 ? 224.681 51.884 44.880 1.00 32.75 1 108 ARG B NH1 1 ATOM 2430 N NH2 . ARG B 2 110 ? 223.718 53.828 44.170 1.00 40.05 ? 108 ARG B NH2 1 ATOM 2431 N N . THR B 2 111 ? 228.048 50.914 41.663 1.00 28.56 ? 109 THR B N 1 ATOM 2432 C CA . THR B 2 111 ? 227.911 49.532 42.110 1.00 29.04 ? 109 THR B CA 1 ATOM 2433 C C . THR B 2 111 ? 226.455 49.082 42.058 1.00 30.29 ? 109 THR B C 1 ATOM 2434 O O . THR B 2 111 ? 225.525 49.856 41.821 1.00 38.50 ? 109 THR B O 1 ATOM 2435 C CB . THR B 2 111 ? 228.429 49.341 43.528 1.00 30.52 ? 109 THR B CB 1 ATOM 2436 O OG1 . THR B 2 111 ? 227.640 50.124 44.427 1.00 42.68 ? 109 THR B OG1 1 ATOM 2437 C CG2 . THR B 2 111 ? 229.876 49.756 43.614 1.00 31.82 ? 109 THR B CG2 1 ATOM 2438 N N . VAL B 2 112 ? 226.278 47.795 42.298 1.00 39.29 ? 110 VAL B N 1 ATOM 2439 C CA . VAL B 2 112 ? 224.980 47.168 42.156 1.00 37.15 ? 110 VAL B CA 1 ATOM 2440 C C . VAL B 2 112 ? 224.114 47.531 43.353 1.00 43.66 ? 110 VAL B C 1 ATOM 2441 O O . VAL B 2 112 ? 224.569 47.511 44.504 1.00 46.72 ? 110 VAL B O 1 ATOM 2442 C CB . VAL B 2 112 ? 225.167 45.652 41.990 1.00 31.03 ? 110 VAL B CB 1 ATOM 2443 C CG1 . VAL B 2 112 ? 223.840 44.907 42.030 1.00 31.84 ? 110 VAL B CG1 1 ATOM 2444 C CG2 . VAL B 2 112 ? 225.873 45.404 40.669 1.00 28.43 ? 110 VAL B CG2 1 ATOM 2445 N N . ALA B 2 113 ? 222.870 47.917 43.083 1.00 36.20 ? 111 ALA B N 1 ATOM 2446 C CA . ALA B 2 113 ? 221.881 48.124 44.131 1.00 29.45 ? 111 ALA B CA 1 ATOM 2447 C C . ALA B 2 113 ? 220.655 47.296 43.786 1.00 31.85 ? 111 ALA B C 1 ATOM 2448 O O . ALA B 2 113 ? 220.103 47.422 42.688 1.00 30.27 ? 111 ALA B O 1 ATOM 2449 C CB . ALA B 2 113 ? 221.519 49.600 44.292 1.00 32.20 ? 111 ALA B CB 1 ATOM 2450 N N . ALA B 2 114 ? 220.262 46.428 44.709 1.00 37.26 ? 112 ALA B N 1 ATOM 2451 C CA . ALA B 2 114 ? 219.085 45.609 44.513 1.00 34.15 ? 112 ALA B CA 1 ATOM 2452 C C . ALA B 2 114 ? 217.821 46.450 44.672 1.00 32.77 ? 112 ALA B C 1 ATOM 2453 O O . ALA B 2 114 ? 217.785 47.393 45.466 1.00 41.88 ? 112 ALA B O 1 ATOM 2454 C CB . ALA B 2 114 ? 219.069 44.466 45.515 1.00 32.21 ? 112 ALA B CB 1 ATOM 2455 N N . PRO B 2 115 ? 216.777 46.140 43.917 1.00 32.65 ? 113 PRO B N 1 ATOM 2456 C CA . PRO B 2 115 ? 215.533 46.902 44.049 1.00 38.50 ? 113 PRO B CA 1 ATOM 2457 C C . PRO B 2 115 ? 214.808 46.550 45.334 1.00 40.23 ? 113 PRO B C 1 ATOM 2458 O O . PRO B 2 115 ? 214.872 45.421 45.821 1.00 41.82 ? 113 PRO B O 1 ATOM 2459 C CB . PRO B 2 115 ? 214.720 46.475 42.823 1.00 27.44 ? 113 PRO B CB 1 ATOM 2460 C CG . PRO B 2 115 ? 215.269 45.122 42.450 1.00 34.19 ? 113 PRO B CG 1 ATOM 2461 C CD . PRO B 2 115 ? 216.726 45.153 42.823 1.00 41.22 ? 113 PRO B CD 1 ATOM 2462 N N . SER B 2 116 ? 214.131 47.543 45.897 1.00 49.38 ? 114 SER B N 1 ATOM 2463 C CA . SER B 2 116 ? 213.125 47.296 46.919 1.00 45.65 ? 114 SER B CA 1 ATOM 2464 C C . SER B 2 116 ? 211.776 47.180 46.217 1.00 44.04 ? 114 SER B C 1 ATOM 2465 O O . SER B 2 116 ? 211.414 48.053 45.420 1.00 42.73 ? 114 SER B O 1 ATOM 2466 C CB . SER B 2 116 ? 213.112 48.418 47.953 1.00 34.22 ? 114 SER B CB 1 ATOM 2467 O OG . SER B 2 116 ? 214.418 48.926 48.137 1.00 59.27 ? 114 SER B OG 1 ATOM 2468 N N . VAL B 2 117 ? 211.053 46.091 46.481 1.00 44.57 ? 115 VAL B N 1 ATOM 2469 C CA . VAL B 2 117 ? 209.868 45.725 45.707 1.00 33.47 ? 115 VAL B CA 1 ATOM 2470 C C . VAL B 2 117 ? 208.620 45.943 46.553 1.00 34.64 ? 115 VAL B C 1 ATOM 2471 O O . VAL B 2 117 ? 208.485 45.360 47.637 1.00 38.63 ? 115 VAL B O 1 ATOM 2472 C CB . VAL B 2 117 ? 209.941 44.275 45.214 1.00 37.62 ? 115 VAL B CB 1 ATOM 2473 C CG1 . VAL B 2 117 ? 208.733 43.964 44.328 1.00 34.05 ? 115 VAL B CG1 1 ATOM 2474 C CG2 . VAL B 2 117 ? 211.243 44.037 44.463 1.00 45.06 ? 115 VAL B CG2 1 ATOM 2475 N N . PHE B 2 118 ? 207.700 46.768 46.043 1.00 37.18 ? 116 PHE B N 1 ATOM 2476 C CA . PHE B 2 118 ? 206.392 46.996 46.644 1.00 39.07 ? 116 PHE B CA 1 ATOM 2477 C C . PHE B 2 118 ? 205.290 46.673 45.640 1.00 47.30 ? 116 PHE B C 1 ATOM 2478 O O . PHE B 2 118 ? 205.443 46.884 44.436 1.00 50.63 ? 116 PHE B O 1 ATOM 2479 C CB . PHE B 2 118 ? 206.226 48.443 47.111 1.00 37.30 ? 116 PHE B CB 1 ATOM 2480 C CG . PHE B 2 118 ? 207.392 48.969 47.907 1.00 40.86 ? 116 PHE B CG 1 ATOM 2481 C CD1 . PHE B 2 118 ? 207.404 48.879 49.285 1.00 45.62 ? 116 PHE B CD1 1 ATOM 2482 C CD2 . PHE B 2 118 ? 208.469 49.566 47.274 1.00 38.65 ? 116 PHE B CD2 1 ATOM 2483 C CE1 . PHE B 2 118 ? 208.468 49.368 50.020 1.00 47.96 ? 116 PHE B CE1 1 ATOM 2484 C CE2 . PHE B 2 118 ? 209.536 50.058 48.003 1.00 39.46 ? 116 PHE B CE2 1 ATOM 2485 C CZ . PHE B 2 118 ? 209.533 49.957 49.378 1.00 41.61 ? 116 PHE B CZ 1 ATOM 2486 N N . ILE B 2 119 ? 204.172 46.161 46.141 1.00 44.23 ? 117 ILE B N 1 ATOM 2487 C CA . ILE B 2 119 ? 202.992 45.934 45.320 1.00 44.71 ? 117 ILE B CA 1 ATOM 2488 C C . ILE B 2 119 ? 201.819 46.696 45.932 1.00 50.47 ? 117 ILE B C 1 ATOM 2489 O O . ILE B 2 119 ? 201.734 46.869 47.153 1.00 49.03 ? 117 ILE B O 1 ATOM 2490 C CB . ILE B 2 119 ? 202.682 44.429 45.172 1.00 45.28 ? 117 ILE B CB 1 ATOM 2491 C CG1 . ILE B 2 119 ? 201.723 44.179 44.010 1.00 44.55 ? 117 ILE B CG1 1 ATOM 2492 C CG2 . ILE B 2 119 ? 202.106 43.858 46.456 1.00 36.38 ? 117 ILE B CG2 1 ATOM 2493 C CD1 . ILE B 2 119 ? 201.425 42.708 43.805 1.00 45.63 ? 117 ILE B CD1 1 ATOM 2494 N N . PHE B 2 120 ? 200.937 47.193 45.066 1.00 47.75 ? 118 PHE B N 1 ATOM 2495 C CA . PHE B 2 120 ? 199.770 47.974 45.476 1.00 37.52 ? 118 PHE B CA 1 ATOM 2496 C C . PHE B 2 120 ? 198.533 47.380 44.815 1.00 41.67 ? 118 PHE B C 1 ATOM 2497 O O . PHE B 2 120 ? 198.445 47.372 43.570 1.00 46.20 ? 118 PHE B O 1 ATOM 2498 C CB . PHE B 2 120 ? 199.903 49.446 45.087 1.00 34.25 ? 118 PHE B CB 1 ATOM 2499 C CG . PHE B 2 120 ? 201.091 50.131 45.686 1.00 50.57 ? 118 PHE B CG 1 ATOM 2500 C CD1 . PHE B 2 120 ? 201.014 50.697 46.948 1.00 34.07 ? 118 PHE B CD1 1 ATOM 2501 C CD2 . PHE B 2 120 ? 202.285 50.219 44.982 1.00 45.95 ? 118 PHE B CD2 1 ATOM 2502 C CE1 . PHE B 2 120 ? 202.106 51.338 47.502 1.00 43.61 ? 118 PHE B CE1 1 ATOM 2503 C CE2 . PHE B 2 120 ? 203.380 50.857 45.527 1.00 50.35 ? 118 PHE B CE2 1 ATOM 2504 C CZ . PHE B 2 120 ? 203.293 51.419 46.791 1.00 45.58 ? 118 PHE B CZ 1 ATOM 2505 N N . PRO B 2 121 ? 197.568 46.882 45.578 1.00 45.47 ? 119 PRO B N 1 ATOM 2506 C CA . PRO B 2 121 ? 196.292 46.446 44.984 1.00 49.66 ? 119 PRO B CA 1 ATOM 2507 C C . PRO B 2 121 ? 195.505 47.633 44.457 1.00 43.55 ? 119 PRO B C 1 ATOM 2508 O O . PRO B 2 121 ? 195.844 48.789 44.751 1.00 40.15 ? 119 PRO B O 1 ATOM 2509 C CB . PRO B 2 121 ? 195.567 45.769 46.160 1.00 44.47 ? 119 PRO B CB 1 ATOM 2510 C CG . PRO B 2 121 ? 196.224 46.299 47.382 1.00 41.48 ? 119 PRO B CG 1 ATOM 2511 C CD . PRO B 2 121 ? 197.653 46.570 47.014 1.00 40.54 ? 119 PRO B CD 1 ATOM 2512 N N . PRO B 2 122 ? 194.455 47.400 43.669 1.00 53.34 ? 120 PRO B N 1 ATOM 2513 C CA . PRO B 2 122 ? 193.649 48.529 43.184 1.00 49.94 ? 120 PRO B CA 1 ATOM 2514 C C . PRO B 2 122 ? 192.909 49.214 44.324 1.00 48.24 ? 120 PRO B C 1 ATOM 2515 O O . PRO B 2 122 ? 192.420 48.567 45.253 1.00 59.89 ? 120 PRO B O 1 ATOM 2516 C CB . PRO B 2 122 ? 192.668 47.880 42.196 1.00 48.29 ? 120 PRO B CB 1 ATOM 2517 C CG . PRO B 2 122 ? 193.212 46.528 41.912 1.00 55.47 ? 120 PRO B CG 1 ATOM 2518 C CD . PRO B 2 122 ? 193.983 46.115 43.127 1.00 55.23 ? 120 PRO B CD 1 ATOM 2519 N N . SER B 2 123 ? 192.835 50.540 44.240 1.00 49.33 ? 121 SER B N 1 ATOM 2520 C CA . SER B 2 123 ? 192.042 51.321 45.177 1.00 57.38 ? 121 SER B CA 1 ATOM 2521 C C . SER B 2 123 ? 190.554 51.029 45.005 1.00 60.28 ? 121 SER B C 1 ATOM 2522 O O . SER B 2 123 ? 190.093 50.636 43.931 1.00 58.66 ? 121 SER B O 1 ATOM 2523 C CB . SER B 2 123 ? 192.291 52.809 44.963 1.00 60.68 ? 121 SER B CB 1 ATOM 2524 O OG . SER B 2 123 ? 191.852 53.184 43.671 1.00 70.03 ? 121 SER B OG 1 ATOM 2525 N N . ASP B 2 124 ? 189.793 51.238 46.080 1.00 66.01 ? 122 ASP B N 1 ATOM 2526 C CA . ASP B 2 124 ? 188.346 51.089 45.970 1.00 72.91 ? 122 ASP B CA 1 ATOM 2527 C C . ASP B 2 124 ? 187.749 52.138 45.040 1.00 62.44 ? 122 ASP B C 1 ATOM 2528 O O . ASP B 2 124 ? 186.761 51.861 44.349 1.00 61.48 ? 122 ASP B O 1 ATOM 2529 C CB . ASP B 2 124 ? 187.702 51.157 47.353 1.00 83.63 ? 122 ASP B CB 1 ATOM 2530 C CG . ASP B 2 124 ? 187.954 49.904 48.169 1.00 97.67 ? 122 ASP B CG 1 ATOM 2531 O OD1 . ASP B 2 124 ? 187.786 48.794 47.616 1.00 93.12 ? 122 ASP B OD1 1 ATOM 2532 O OD2 . ASP B 2 124 ? 188.333 50.026 49.355 1.00 112.28 -1 122 ASP B OD2 1 ATOM 2533 N N . GLU B 2 125 ? 188.339 53.335 44.995 1.00 60.69 ? 123 GLU B N 1 ATOM 2534 C CA . GLU B 2 125 ? 187.856 54.363 44.076 1.00 60.69 ? 123 GLU B CA 1 ATOM 2535 C C . GLU B 2 125 ? 187.922 53.886 42.627 1.00 64.45 ? 123 GLU B C 1 ATOM 2536 O O . GLU B 2 125 ? 186.991 54.118 41.846 1.00 65.56 ? 123 GLU B O 1 ATOM 2537 C CB . GLU B 2 125 ? 188.666 55.647 44.257 1.00 67.61 ? 123 GLU B CB 1 ATOM 2538 C CG . GLU B 2 125 ? 189.283 55.813 45.644 1.00 69.13 ? 123 GLU B CG 1 ATOM 2539 N N . GLN B 2 126 ? 189.007 53.200 42.252 1.00 60.60 ? 124 GLN B N 1 ATOM 2540 C CA . GLN B 2 126 ? 189.133 52.746 40.871 1.00 58.91 ? 124 GLN B CA 1 ATOM 2541 C C . GLN B 2 126 ? 188.119 51.659 40.541 1.00 59.20 ? 124 GLN B C 1 ATOM 2542 O O . GLN B 2 126 ? 187.586 51.621 39.427 1.00 63.70 ? 124 GLN B O 1 ATOM 2543 C CB . GLN B 2 126 ? 190.544 52.238 40.592 1.00 54.53 ? 124 GLN B CB 1 ATOM 2544 C CG . GLN B 2 126 ? 190.788 51.932 39.121 1.00 46.62 ? 124 GLN B CG 1 ATOM 2545 C CD . GLN B 2 126 ? 192.193 51.437 38.857 1.00 56.19 ? 124 GLN B CD 1 ATOM 2546 O OE1 . GLN B 2 126 ? 192.901 51.009 39.774 1.00 56.56 ? 124 GLN B OE1 1 ATOM 2547 N NE2 . GLN B 2 126 ? 192.611 51.501 37.598 1.00 44.79 ? 124 GLN B NE2 1 ATOM 2548 N N . LEU B 2 127 ? 187.845 50.763 41.489 1.00 64.19 ? 125 LEU B N 1 ATOM 2549 C CA . LEU B 2 127 ? 186.970 49.634 41.195 1.00 63.05 ? 125 LEU B CA 1 ATOM 2550 C C . LEU B 2 127 ? 185.555 50.081 40.835 1.00 74.01 ? 125 LEU B C 1 ATOM 2551 O O . LEU B 2 127 ? 184.846 49.366 40.116 1.00 85.94 ? 125 LEU B O 1 ATOM 2552 C CB . LEU B 2 127 ? 186.949 48.672 42.380 1.00 60.69 ? 125 LEU B CB 1 ATOM 2553 C CG . LEU B 2 127 ? 188.258 47.942 42.677 1.00 57.22 ? 125 LEU B CG 1 ATOM 2554 C CD1 . LEU B 2 127 ? 188.101 47.096 43.923 1.00 54.37 ? 125 LEU B CD1 1 ATOM 2555 C CD2 . LEU B 2 127 ? 188.687 47.086 41.492 1.00 50.31 ? 125 LEU B CD2 1 ATOM 2556 N N . LYS B 2 128 ? 185.126 51.255 41.309 1.00 64.34 ? 126 LYS B N 1 ATOM 2557 C CA . LYS B 2 128 ? 183.809 51.752 40.919 1.00 71.13 ? 126 LYS B CA 1 ATOM 2558 C C . LYS B 2 128 ? 183.760 52.129 39.441 1.00 78.25 ? 126 LYS B C 1 ATOM 2559 O O . LYS B 2 128 ? 182.685 52.094 38.833 1.00 92.22 ? 126 LYS B O 1 ATOM 2560 C CB . LYS B 2 128 ? 183.408 52.948 41.787 1.00 72.76 ? 126 LYS B CB 1 ATOM 2561 C CG . LYS B 2 128 ? 183.023 52.594 43.223 1.00 67.75 ? 126 LYS B CG 1 ATOM 2562 N N . SER B 2 129 ? 184.904 52.472 38.842 1.00 84.24 ? 127 SER B N 1 ATOM 2563 C CA . SER B 2 129 ? 184.940 52.950 37.464 1.00 83.97 ? 127 SER B CA 1 ATOM 2564 C C . SER B 2 129 ? 184.936 51.829 36.427 1.00 86.55 ? 127 SER B C 1 ATOM 2565 O O . SER B 2 129 ? 184.720 52.111 35.244 1.00 95.80 ? 127 SER B O 1 ATOM 2566 C CB . SER B 2 129 ? 186.168 53.843 37.244 1.00 77.07 ? 127 SER B CB 1 ATOM 2567 O OG . SER B 2 129 ? 187.366 53.084 37.178 1.00 76.25 ? 127 SER B OG 1 ATOM 2568 N N . GLY B 2 130 ? 185.177 50.578 36.823 1.00 73.57 ? 128 GLY B N 1 ATOM 2569 C CA . GLY B 2 130 ? 185.081 49.448 35.923 1.00 59.95 ? 128 GLY B CA 1 ATOM 2570 C C . GLY B 2 130 ? 186.390 48.743 35.615 1.00 71.00 ? 128 GLY B C 1 ATOM 2571 O O . GLY B 2 130 ? 186.357 47.617 35.100 1.00 76.03 ? 128 GLY B O 1 ATOM 2572 N N . THR B 2 131 ? 187.536 49.359 35.895 1.00 57.10 ? 129 THR B N 1 ATOM 2573 C CA . THR B 2 131 ? 188.819 48.714 35.665 1.00 65.65 ? 129 THR B CA 1 ATOM 2574 C C . THR B 2 131 ? 189.577 48.578 36.980 1.00 65.99 ? 129 THR B C 1 ATOM 2575 O O . THR B 2 131 ? 189.211 49.160 38.006 1.00 65.99 ? 129 THR B O 1 ATOM 2576 C CB . THR B 2 131 ? 189.672 49.483 34.644 1.00 74.31 ? 129 THR B CB 1 ATOM 2577 O OG1 . THR B 2 131 ? 189.958 50.795 35.145 1.00 91.47 ? 129 THR B OG1 1 ATOM 2578 C CG2 . THR B 2 131 ? 188.953 49.589 33.306 1.00 69.13 ? 129 THR B CG2 1 ATOM 2579 N N . ALA B 2 132 ? 190.648 47.787 36.930 1.00 50.19 ? 130 ALA B N 1 ATOM 2580 C CA . ALA B 2 132 ? 191.473 47.503 38.094 1.00 49.13 ? 130 ALA B CA 1 ATOM 2581 C C . ALA B 2 132 ? 192.934 47.498 37.675 1.00 49.38 ? 130 ALA B C 1 ATOM 2582 O O . ALA B 2 132 ? 193.308 46.788 36.738 1.00 58.17 ? 130 ALA B O 1 ATOM 2583 C CB . ALA B 2 132 ? 191.094 46.157 38.723 1.00 47.68 ? 130 ALA B CB 1 ATOM 2584 N N . SER B 2 133 ? 193.755 48.293 38.360 1.00 52.18 ? 131 SER B N 1 ATOM 2585 C CA . SER B 2 133 ? 195.182 48.382 38.075 1.00 49.12 ? 131 SER B CA 1 ATOM 2586 C C . SER B 2 133 ? 195.967 47.932 39.298 1.00 43.70 ? 131 SER B C 1 ATOM 2587 O O . SER B 2 133 ? 195.839 48.526 40.373 1.00 55.78 ? 131 SER B O 1 ATOM 2588 C CB . SER B 2 133 ? 195.584 49.806 37.685 1.00 38.70 ? 131 SER B CB 1 ATOM 2589 O OG . SER B 2 133 ? 194.937 50.229 36.497 1.00 41.28 ? 131 SER B OG 1 ATOM 2590 N N . VAL B 2 134 ? 196.780 46.894 39.132 1.00 41.00 ? 132 VAL B N 1 ATOM 2591 C CA . VAL B 2 134 ? 197.743 46.473 40.145 1.00 37.44 ? 132 VAL B CA 1 ATOM 2592 C C . VAL B 2 134 ? 199.114 47.014 39.752 1.00 41.28 ? 132 VAL B C 1 ATOM 2593 O O . VAL B 2 134 ? 199.536 46.878 38.597 1.00 43.56 ? 132 VAL B O 1 ATOM 2594 C CB . VAL B 2 134 ? 197.771 44.941 40.287 1.00 40.79 ? 132 VAL B CB 1 ATOM 2595 C CG1 . VAL B 2 134 ? 198.438 44.538 41.593 1.00 39.10 ? 132 VAL B CG1 1 ATOM 2596 C CG2 . VAL B 2 134 ? 196.359 44.362 40.186 1.00 45.46 ? 132 VAL B CG2 1 ATOM 2597 N N . VAL B 2 135 ? 199.814 47.619 40.708 1.00 41.89 ? 133 VAL B N 1 ATOM 2598 C CA . VAL B 2 135 ? 201.078 48.299 40.455 1.00 35.51 ? 133 VAL B CA 1 ATOM 2599 C C . VAL B 2 135 ? 202.182 47.609 41.248 1.00 41.32 ? 133 VAL B C 1 ATOM 2600 O O . VAL B 2 135 ? 202.048 47.402 42.458 1.00 49.95 ? 133 VAL B O 1 ATOM 2601 C CB . VAL B 2 135 ? 201.000 49.794 40.818 1.00 40.00 ? 133 VAL B CB 1 ATOM 2602 C CG1 . VAL B 2 135 ? 202.328 50.477 40.551 1.00 47.50 ? 133 VAL B CG1 1 ATOM 2603 C CG2 . VAL B 2 135 ? 199.890 50.469 40.039 1.00 38.82 ? 133 VAL B CG2 1 ATOM 2604 N N . CYS B 2 136 ? 203.264 47.256 40.561 1.00 39.72 ? 134 CYS B N 1 ATOM 2605 C CA . CYS B 2 136 ? 204.487 46.742 41.164 1.00 42.03 ? 134 CYS B CA 1 ATOM 2606 C C . CYS B 2 136 ? 205.561 47.820 41.050 1.00 46.78 ? 134 CYS B C 1 ATOM 2607 O O . CYS B 2 136 ? 205.801 48.346 39.960 1.00 43.85 ? 134 CYS B O 1 ATOM 2608 C CB . CYS B 2 136 ? 204.927 45.461 40.451 1.00 46.81 ? 134 CYS B CB 1 ATOM 2609 S SG . CYS B 2 136 ? 206.259 44.453 41.173 1.00 57.51 ? 134 CYS B SG 1 ATOM 2610 N N . LEU B 2 137 ? 206.189 48.168 42.169 1.00 35.15 ? 135 LEU B N 1 ATOM 2611 C CA . LEU B 2 137 ? 207.225 49.195 42.188 1.00 27.03 ? 135 LEU B CA 1 ATOM 2612 C C . LEU B 2 137 ? 208.564 48.575 42.561 1.00 42.01 ? 135 LEU B C 1 ATOM 2613 O O . LEU B 2 137 ? 208.684 47.945 43.618 1.00 26.98 ? 135 LEU B O 1 ATOM 2614 C CB . LEU B 2 137 ? 206.878 50.311 43.169 1.00 31.66 ? 135 LEU B CB 1 ATOM 2615 C CG . LEU B 2 137 ? 208.036 51.253 43.506 1.00 41.65 ? 135 LEU B CG 1 ATOM 2616 C CD1 . LEU B 2 137 ? 208.451 52.068 42.290 1.00 45.75 ? 135 LEU B CD1 1 ATOM 2617 C CD2 . LEU B 2 137 ? 207.663 52.157 44.669 1.00 40.53 ? 135 LEU B CD2 1 ATOM 2618 N N . LEU B 2 138 ? 209.567 48.768 41.701 1.00 34.19 ? 136 LEU B N 1 ATOM 2619 C CA . LEU B 2 138 ? 210.959 48.423 41.988 1.00 32.74 ? 136 LEU B CA 1 ATOM 2620 C C . LEU B 2 138 ? 211.712 49.734 42.160 1.00 28.17 ? 136 LEU B C 1 ATOM 2621 O O . LEU B 2 138 ? 211.923 50.466 41.187 1.00 37.28 ? 136 LEU B O 1 ATOM 2622 C CB . LEU B 2 138 ? 211.600 47.600 40.871 1.00 29.37 ? 136 LEU B CB 1 ATOM 2623 C CG . LEU B 2 138 ? 211.179 46.204 40.433 1.00 35.17 ? 136 LEU B CG 1 ATOM 2624 C CD1 . LEU B 2 138 ? 209.686 46.127 40.143 1.00 44.35 ? 136 LEU B CD1 1 ATOM 2625 C CD2 . LEU B 2 138 ? 211.961 45.876 39.184 1.00 25.88 ? 136 LEU B CD2 1 ATOM 2626 N N . ASN B 2 139 ? 212.144 50.015 43.381 1.00 28.38 ? 137 ASN B N 1 ATOM 2627 C CA . ASN B 2 139 ? 212.690 51.316 43.735 1.00 37.53 ? 137 ASN B CA 1 ATOM 2628 C C . ASN B 2 139 ? 214.209 51.246 43.884 1.00 37.16 ? 137 ASN B C 1 ATOM 2629 O O . ASN B 2 139 ? 214.730 50.307 44.496 1.00 28.19 ? 137 ASN B O 1 ATOM 2630 C CB . ASN B 2 139 ? 212.041 51.808 45.029 1.00 40.11 ? 137 ASN B CB 1 ATOM 2631 C CG . ASN B 2 139 ? 212.315 53.257 45.297 1.00 51.18 ? 137 ASN B CG 1 ATOM 2632 O OD1 . ASN B 2 139 ? 211.861 54.123 44.558 1.00 58.62 ? 137 ASN B OD1 1 ATOM 2633 N ND2 . ASN B 2 139 ? 213.059 53.536 46.359 1.00 59.75 ? 137 ASN B ND2 1 ATOM 2634 N N . ASN B 2 140 ? 214.909 52.225 43.289 1.00 34.65 ? 138 ASN B N 1 ATOM 2635 C CA . ASN B 2 140 ? 216.320 52.548 43.550 1.00 29.59 ? 138 ASN B CA 1 ATOM 2636 C C . ASN B 2 140 ? 217.242 51.341 43.338 1.00 40.44 ? 138 ASN B C 1 ATOM 2637 O O . ASN B 2 140 ? 217.848 50.815 44.272 1.00 37.89 ? 138 ASN B O 1 ATOM 2638 C CB . ASN B 2 140 ? 216.508 53.099 44.970 1.00 25.87 ? 138 ASN B CB 1 ATOM 2639 C CG . ASN B 2 140 ? 215.877 54.462 45.164 1.00 39.25 ? 138 ASN B CG 1 ATOM 2640 O OD1 . ASN B 2 140 ? 215.418 55.095 44.217 1.00 42.50 ? 138 ASN B OD1 1 ATOM 2641 N ND2 . ASN B 2 140 ? 215.857 54.922 46.406 1.00 47.18 ? 138 ASN B ND2 1 ATOM 2642 N N . PHE B 2 141 ? 217.367 50.929 42.078 1.00 36.47 ? 139 PHE B N 1 ATOM 2643 C CA . PHE B 2 141 ? 218.211 49.789 41.755 1.00 31.77 ? 139 PHE B CA 1 ATOM 2644 C C . PHE B 2 141 ? 219.232 50.160 40.682 1.00 32.71 ? 139 PHE B C 1 ATOM 2645 O O . PHE B 2 141 ? 219.129 51.196 40.014 1.00 26.86 ? 139 PHE B O 1 ATOM 2646 C CB . PHE B 2 141 ? 217.373 48.576 41.315 1.00 24.14 ? 139 PHE B CB 1 ATOM 2647 C CG . PHE B 2 141 ? 216.553 48.807 40.085 1.00 24.60 ? 139 PHE B CG 1 ATOM 2648 C CD1 . PHE B 2 141 ? 217.070 48.516 38.830 1.00 27.95 ? 139 PHE B CD1 1 ATOM 2649 C CD2 . PHE B 2 141 ? 215.247 49.291 40.178 1.00 30.00 ? 139 PHE B CD2 1 ATOM 2650 C CE1 . PHE B 2 141 ? 216.309 48.729 37.684 1.00 35.10 ? 139 PHE B CE1 1 ATOM 2651 C CE2 . PHE B 2 141 ? 214.477 49.503 39.038 1.00 23.25 ? 139 PHE B CE2 1 ATOM 2652 C CZ . PHE B 2 141 ? 215.000 49.221 37.792 1.00 22.96 ? 139 PHE B CZ 1 ATOM 2653 N N . TYR B 2 142 ? 220.234 49.296 40.542 1.00 35.87 ? 140 TYR B N 1 ATOM 2654 C CA . TYR B 2 142 ? 221.258 49.436 39.507 1.00 37.84 ? 140 TYR B CA 1 ATOM 2655 C C . TYR B 2 142 ? 221.909 48.066 39.288 1.00 39.22 ? 140 TYR B C 1 ATOM 2656 O O . TYR B 2 142 ? 222.163 47.336 40.260 1.00 38.00 ? 140 TYR B O 1 ATOM 2657 C CB . TYR B 2 142 ? 222.324 50.494 39.878 1.00 24.24 ? 140 TYR B CB 1 ATOM 2658 C CG . TYR B 2 142 ? 223.234 50.773 38.712 1.00 34.68 ? 140 TYR B CG 1 ATOM 2659 C CD1 . TYR B 2 142 ? 222.916 51.764 37.793 1.00 23.44 ? 140 TYR B CD1 1 ATOM 2660 C CD2 . TYR B 2 142 ? 224.377 49.994 38.483 1.00 29.86 ? 140 TYR B CD2 1 ATOM 2661 C CE1 . TYR B 2 142 ? 223.715 52.000 36.692 1.00 23.38 ? 140 TYR B CE1 1 ATOM 2662 C CE2 . TYR B 2 142 ? 225.174 50.214 37.384 1.00 26.36 ? 140 TYR B CE2 1 ATOM 2663 C CZ . TYR B 2 142 ? 224.841 51.224 36.491 1.00 26.36 ? 140 TYR B CZ 1 ATOM 2664 O OH . TYR B 2 142 ? 225.647 51.451 35.396 1.00 37.52 ? 140 TYR B OH 1 ATOM 2665 N N . PRO B 2 143 ? 222.173 47.704 38.018 1.00 24.34 ? 141 PRO B N 1 ATOM 2666 C CA . PRO B 2 143 ? 221.855 48.475 36.811 1.00 25.41 ? 141 PRO B CA 1 ATOM 2667 C C . PRO B 2 143 ? 220.404 48.341 36.369 1.00 33.32 ? 141 PRO B C 1 ATOM 2668 O O . PRO B 2 143 ? 219.585 47.784 37.097 1.00 34.78 ? 141 PRO B O 1 ATOM 2669 C CB . PRO B 2 143 ? 222.793 47.882 35.758 1.00 28.83 ? 141 PRO B CB 1 ATOM 2670 C CG . PRO B 2 143 ? 222.981 46.481 36.186 1.00 28.34 ? 141 PRO B CG 1 ATOM 2671 C CD . PRO B 2 143 ? 223.021 46.539 37.705 1.00 25.13 ? 141 PRO B CD 1 ATOM 2672 N N . ARG B 2 144 ? 220.125 48.841 35.161 1.00 31.77 ? 142 ARG B N 1 ATOM 2673 C CA . ARG B 2 144 ? 218.759 49.019 34.677 1.00 38.25 ? 142 ARG B CA 1 ATOM 2674 C C . ARG B 2 144 ? 218.062 47.696 34.405 1.00 37.22 ? 142 ARG B C 1 ATOM 2675 O O . ARG B 2 144 ? 216.852 47.584 34.625 1.00 49.21 ? 142 ARG B O 1 ATOM 2676 C CB . ARG B 2 144 ? 218.786 49.856 33.395 1.00 41.16 ? 142 ARG B CB 1 ATOM 2677 C CG . ARG B 2 144 ? 217.442 50.354 32.903 1.00 48.64 ? 142 ARG B CG 1 ATOM 2678 C CD . ARG B 2 144 ? 217.616 51.078 31.579 1.00 52.45 ? 142 ARG B CD 1 ATOM 2679 N NE . ARG B 2 144 ? 216.425 51.823 31.177 1.00 69.96 ? 142 ARG B NE 1 ATOM 2680 C CZ . ARG B 2 144 ? 215.367 51.286 30.573 1.00 80.20 ? 142 ARG B CZ 1 ATOM 2681 N NH1 . ARG B 2 144 ? 215.332 49.986 30.305 1.00 77.11 1 142 ARG B NH1 1 ATOM 2682 N NH2 . ARG B 2 144 ? 214.335 52.050 30.241 1.00 91.92 ? 142 ARG B NH2 1 ATOM 2683 N N A GLU B 2 145 ? 218.801 46.696 33.942 0.50 31.59 ? 143 GLU B N 1 ATOM 2684 N N B GLU B 2 145 ? 218.806 46.694 33.926 0.50 31.60 ? 143 GLU B N 1 ATOM 2685 C CA A GLU B 2 145 ? 218.202 45.452 33.488 0.50 36.28 ? 143 GLU B CA 1 ATOM 2686 C CA B GLU B 2 145 ? 218.232 45.422 33.505 0.50 36.32 ? 143 GLU B CA 1 ATOM 2687 C C A GLU B 2 145 ? 217.461 44.764 34.625 0.50 41.98 ? 143 GLU B C 1 ATOM 2688 C C B GLU B 2 145 ? 217.455 44.781 34.647 0.50 41.94 ? 143 GLU B C 1 ATOM 2689 O O A GLU B 2 145 ? 218.032 44.503 35.688 0.50 42.59 ? 143 GLU B O 1 ATOM 2690 O O B GLU B 2 145 ? 217.992 44.574 35.739 0.50 42.09 ? 143 GLU B O 1 ATOM 2691 C CB A GLU B 2 145 ? 219.279 44.541 32.909 0.50 35.79 ? 143 GLU B CB 1 ATOM 2692 C CB B GLU B 2 145 ? 219.338 44.482 33.013 0.50 35.95 ? 143 GLU B CB 1 ATOM 2693 C CG A GLU B 2 145 ? 219.780 44.991 31.540 0.50 39.44 ? 143 GLU B CG 1 ATOM 2694 C CG B GLU B 2 145 ? 218.830 43.135 32.487 0.50 41.43 ? 143 GLU B CG 1 ATOM 2695 C CD A GLU B 2 145 ? 220.614 46.269 31.590 0.50 45.46 ? 143 GLU B CD 1 ATOM 2696 C CD B GLU B 2 145 ? 219.930 42.222 31.931 0.50 44.18 ? 143 GLU B CD 1 ATOM 2697 O OE1 A GLU B 2 145 ? 221.464 46.406 32.506 0.50 34.40 ? 143 GLU B OE1 1 ATOM 2698 O OE1 B GLU B 2 145 ? 221.131 42.452 32.203 0.50 35.88 ? 143 GLU B OE1 1 ATOM 2699 O OE2 A GLU B 2 145 ? 220.404 47.141 30.713 0.50 40.94 -1 143 GLU B OE2 1 ATOM 2700 O OE2 B GLU B 2 145 ? 219.583 41.262 31.211 0.50 53.98 -1 143 GLU B OE2 1 ATOM 2701 N N . ALA B 2 146 ? 216.183 44.485 34.392 1.00 41.43 ? 144 ALA B N 1 ATOM 2702 C CA . ALA B 2 146 ? 215.315 43.893 35.392 1.00 39.00 ? 144 ALA B CA 1 ATOM 2703 C C . ALA B 2 146 ? 214.149 43.237 34.663 1.00 41.74 ? 144 ALA B C 1 ATOM 2704 O O . ALA B 2 146 ? 213.674 43.750 33.646 1.00 49.02 ? 144 ALA B O 1 ATOM 2705 C CB . ALA B 2 146 ? 214.815 44.946 36.386 1.00 28.90 ? 144 ALA B CB 1 ATOM 2706 N N . LYS B 2 147 ? 213.706 42.100 35.179 1.00 41.58 ? 145 LYS B N 1 ATOM 2707 C CA . LYS B 2 147 ? 212.610 41.342 34.592 1.00 52.61 ? 145 LYS B CA 1 ATOM 2708 C C . LYS B 2 147 ? 211.492 41.263 35.620 1.00 58.62 ? 145 LYS B C 1 ATOM 2709 O O . LYS B 2 147 ? 211.689 40.710 36.708 1.00 49.94 ? 145 LYS B O 1 ATOM 2710 C CB . LYS B 2 147 ? 213.074 39.943 34.176 1.00 49.34 ? 145 LYS B CB 1 ATOM 2711 C CG . LYS B 2 147 ? 212.051 39.145 33.381 1.00 60.52 ? 145 LYS B CG 1 ATOM 2712 C CD . LYS B 2 147 ? 212.485 37.698 33.206 1.00 68.58 ? 145 LYS B CD 1 ATOM 2713 C CE . LYS B 2 147 ? 213.759 37.591 32.386 1.00 78.95 ? 145 LYS B CE 1 ATOM 2714 N N . VAL B 2 148 ? 210.333 41.832 35.285 1.00 56.52 ? 146 VAL B N 1 ATOM 2715 C CA . VAL B 2 148 ? 209.137 41.774 36.118 1.00 53.36 ? 146 VAL B CA 1 ATOM 2716 C C . VAL B 2 148 ? 208.123 40.873 35.429 1.00 56.43 ? 146 VAL B C 1 ATOM 2717 O O . VAL B 2 148 ? 207.821 41.063 34.245 1.00 60.58 ? 146 VAL B O 1 ATOM 2718 C CB . VAL B 2 148 ? 208.544 43.171 36.360 1.00 51.93 ? 146 VAL B CB 1 ATOM 2719 C CG1 . VAL B 2 148 ? 207.368 43.088 37.330 1.00 53.19 ? 146 VAL B CG1 1 ATOM 2720 C CG2 . VAL B 2 148 ? 209.605 44.105 36.884 1.00 49.73 ? 146 VAL B CG2 1 ATOM 2721 N N . GLN B 2 149 ? 207.601 39.894 36.166 1.00 46.25 ? 147 GLN B N 1 ATOM 2722 C CA . GLN B 2 149 ? 206.610 38.967 35.638 1.00 52.92 ? 147 GLN B CA 1 ATOM 2723 C C . GLN B 2 149 ? 205.401 38.932 36.558 1.00 50.46 ? 147 GLN B C 1 ATOM 2724 O O . GLN B 2 149 ? 205.543 38.754 37.771 1.00 46.71 ? 147 GLN B O 1 ATOM 2725 C CB . GLN B 2 149 ? 207.193 37.561 35.478 1.00 63.38 ? 147 GLN B CB 1 ATOM 2726 C CG . GLN B 2 149 ? 208.050 37.403 34.238 1.00 73.71 ? 147 GLN B CG 1 ATOM 2727 C CD . GLN B 2 149 ? 208.722 36.052 34.171 1.00 82.01 ? 147 GLN B CD 1 ATOM 2728 O OE1 . GLN B 2 149 ? 209.407 35.642 35.109 1.00 87.91 ? 147 GLN B OE1 1 ATOM 2729 N NE2 . GLN B 2 149 ? 208.524 35.346 33.062 1.00 82.46 ? 147 GLN B NE2 1 ATOM 2730 N N . TRP B 2 150 ? 204.218 39.102 35.977 1.00 52.82 ? 148 TRP B N 1 ATOM 2731 C CA . TRP B 2 150 ? 202.969 39.073 36.722 1.00 40.37 ? 148 TRP B CA 1 ATOM 2732 C C . TRP B 2 150 ? 202.399 37.668 36.745 1.00 41.46 ? 148 TRP B C 1 ATOM 2733 O O . TRP B 2 150 ? 202.343 36.988 35.713 1.00 49.70 ? 148 TRP B O 1 ATOM 2734 C CB . TRP B 2 150 ? 201.947 40.024 36.100 1.00 40.75 ? 148 TRP B CB 1 ATOM 2735 C CG . TRP B 2 150 ? 202.185 41.438 36.460 1.00 38.84 ? 148 TRP B CG 1 ATOM 2736 C CD1 . TRP B 2 150 ? 202.708 42.419 35.663 1.00 37.75 ? 148 TRP B CD1 1 ATOM 2737 C CD2 . TRP B 2 150 ? 201.917 42.046 37.725 1.00 34.89 ? 148 TRP B CD2 1 ATOM 2738 N NE1 . TRP B 2 150 ? 202.775 43.606 36.359 1.00 40.65 ? 148 TRP B NE1 1 ATOM 2739 C CE2 . TRP B 2 150 ? 202.296 43.401 37.628 1.00 32.44 ? 148 TRP B CE2 1 ATOM 2740 C CE3 . TRP B 2 150 ? 201.388 41.576 38.934 1.00 42.76 ? 148 TRP B CE3 1 ATOM 2741 C CZ2 . TRP B 2 150 ? 202.166 44.286 38.689 1.00 38.50 ? 148 TRP B CZ2 1 ATOM 2742 C CZ3 . TRP B 2 150 ? 201.256 42.461 39.987 1.00 47.62 ? 148 TRP B CZ3 1 ATOM 2743 C CH2 . TRP B 2 150 ? 201.644 43.800 39.858 1.00 38.50 ? 148 TRP B CH2 1 ATOM 2744 N N . LYS B 2 151 ? 201.970 37.234 37.928 1.00 44.59 ? 149 LYS B N 1 ATOM 2745 C CA . LYS B 2 151 ? 201.320 35.940 38.079 1.00 49.24 ? 149 LYS B CA 1 ATOM 2746 C C . LYS B 2 151 ? 200.027 36.142 38.851 1.00 48.12 ? 149 LYS B C 1 ATOM 2747 O O . LYS B 2 151 ? 200.002 36.870 39.849 1.00 52.81 ? 149 LYS B O 1 ATOM 2748 C CB . LYS B 2 151 ? 202.248 34.925 38.769 1.00 43.10 ? 149 LYS B CB 1 ATOM 2749 C CG . LYS B 2 151 ? 203.429 34.479 37.876 1.00 61.90 ? 149 LYS B CG 1 ATOM 2750 C CD . LYS B 2 151 ? 204.502 33.701 38.638 1.00 70.31 ? 149 LYS B CD 1 ATOM 2751 N N . VAL B 2 152 ? 198.953 35.531 38.357 1.00 49.35 ? 150 VAL B N 1 ATOM 2752 C CA . VAL B 2 152 ? 197.615 35.630 38.930 1.00 43.77 ? 150 VAL B CA 1 ATOM 2753 C C . VAL B 2 152 ? 197.129 34.207 39.150 1.00 47.61 ? 150 VAL B C 1 ATOM 2754 O O . VAL B 2 152 ? 196.917 33.468 38.180 1.00 53.90 ? 150 VAL B O 1 ATOM 2755 C CB . VAL B 2 152 ? 196.650 36.402 38.020 1.00 44.40 ? 150 VAL B CB 1 ATOM 2756 C CG1 . VAL B 2 152 ? 195.256 36.440 38.640 1.00 46.06 ? 150 VAL B CG1 1 ATOM 2757 C CG2 . VAL B 2 152 ? 197.164 37.803 37.758 1.00 42.43 ? 150 VAL B CG2 1 ATOM 2758 N N . ASP B 2 153 ? 196.950 33.821 40.418 1.00 50.14 ? 151 ASP B N 1 ATOM 2759 C CA . ASP B 2 153 ? 196.644 32.433 40.785 1.00 52.11 ? 151 ASP B CA 1 ATOM 2760 C C . ASP B 2 153 ? 197.621 31.460 40.123 1.00 48.61 ? 151 ASP B C 1 ATOM 2761 O O . ASP B 2 153 ? 197.229 30.419 39.591 1.00 59.83 ? 151 ASP B O 1 ATOM 2762 C CB . ASP B 2 153 ? 195.198 32.067 40.434 1.00 59.99 ? 151 ASP B CB 1 ATOM 2763 C CG . ASP B 2 153 ? 194.186 32.690 41.378 1.00 68.50 ? 151 ASP B CG 1 ATOM 2764 O OD1 . ASP B 2 153 ? 194.604 33.253 42.411 1.00 71.70 ? 151 ASP B OD1 1 ATOM 2765 O OD2 . ASP B 2 153 ? 192.969 32.593 41.094 1.00 75.14 -1 151 ASP B OD2 1 ATOM 2766 N N . ASN B 2 154 ? 198.903 31.828 40.130 1.00 46.67 ? 152 ASN B N 1 ATOM 2767 C CA . ASN B 2 154 ? 200.037 31.065 39.603 1.00 58.10 ? 152 ASN B CA 1 ATOM 2768 C C . ASN B 2 154 ? 200.119 31.054 38.079 1.00 58.10 ? 152 ASN B C 1 ATOM 2769 O O . ASN B 2 154 ? 200.978 30.364 37.527 1.00 61.56 ? 152 ASN B O 1 ATOM 2770 C CB . ASN B 2 154 ? 200.048 29.617 40.113 1.00 49.31 ? 152 ASN B CB 1 ATOM 2771 C CG . ASN B 2 154 ? 200.155 29.533 41.627 1.00 54.10 ? 152 ASN B CG 1 ATOM 2772 O OD1 . ASN B 2 154 ? 200.618 30.467 42.285 1.00 62.23 ? 152 ASN B OD1 1 ATOM 2773 N ND2 . ASN B 2 154 ? 199.732 28.406 42.186 1.00 56.43 ? 152 ASN B ND2 1 ATOM 2774 N N . ALA B 2 155 ? 199.275 31.814 37.382 1.00 58.22 ? 153 ALA B N 1 ATOM 2775 C CA . ALA B 2 155 ? 199.265 31.853 35.922 1.00 53.73 ? 153 ALA B CA 1 ATOM 2776 C C . ALA B 2 155 ? 200.075 33.050 35.429 1.00 45.25 ? 153 ALA B C 1 ATOM 2777 O O . ALA B 2 155 ? 199.755 34.197 35.756 1.00 57.15 ? 153 ALA B O 1 ATOM 2778 C CB . ALA B 2 155 ? 197.832 31.930 35.398 1.00 49.39 ? 153 ALA B CB 1 ATOM 2779 N N . LEU B 2 156 ? 201.110 32.787 34.636 1.00 59.03 ? 154 LEU B N 1 ATOM 2780 C CA . LEU B 2 156 ? 201.924 33.872 34.097 1.00 59.47 ? 154 LEU B CA 1 ATOM 2781 C C . LEU B 2 156 ? 201.111 34.700 33.106 1.00 62.38 ? 154 LEU B C 1 ATOM 2782 O O . LEU B 2 156 ? 200.462 34.151 32.210 1.00 62.48 ? 154 LEU B O 1 ATOM 2783 C CB . LEU B 2 156 ? 203.178 33.315 33.425 1.00 61.74 ? 154 LEU B CB 1 ATOM 2784 C CG . LEU B 2 156 ? 204.047 34.340 32.691 1.00 77.31 ? 154 LEU B CG 1 ATOM 2785 C CD1 . LEU B 2 156 ? 204.551 35.425 33.643 1.00 85.82 ? 154 LEU B CD1 1 ATOM 2786 C CD2 . LEU B 2 156 ? 205.208 33.660 31.965 1.00 71.37 ? 154 LEU B CD2 1 ATOM 2787 N N . GLN B 2 157 ? 201.142 36.021 33.274 1.00 58.80 ? 155 GLN B N 1 ATOM 2788 C CA . GLN B 2 157 ? 200.376 36.941 32.444 1.00 58.77 ? 155 GLN B CA 1 ATOM 2789 C C . GLN B 2 157 ? 201.183 37.378 31.225 1.00 62.70 ? 155 GLN B C 1 ATOM 2790 O O . GLN B 2 157 ? 202.417 37.378 31.227 1.00 61.47 ? 155 GLN B O 1 ATOM 2791 C CB . GLN B 2 157 ? 199.952 38.179 33.240 1.00 53.78 ? 155 GLN B CB 1 ATOM 2792 C CG . GLN B 2 157 ? 199.063 37.902 34.441 1.00 55.31 ? 155 GLN B CG 1 ATOM 2793 C CD . GLN B 2 157 ? 197.774 37.204 34.066 1.00 52.19 ? 155 GLN B CD 1 ATOM 2794 O OE1 . GLN B 2 157 ? 196.904 37.782 33.415 1.00 51.55 ? 155 GLN B OE1 1 ATOM 2795 N NE2 . GLN B 2 157 ? 197.647 35.950 34.472 1.00 45.87 ? 155 GLN B NE2 1 ATOM 2796 N N . SER B 2 158 ? 200.461 37.772 30.179 1.00 61.77 ? 156 SER B N 1 ATOM 2797 C CA . SER B 2 158 ? 201.094 38.205 28.940 1.00 65.67 ? 156 SER B CA 1 ATOM 2798 C C . SER B 2 158 ? 200.194 39.207 28.237 1.00 65.42 ? 156 SER B C 1 ATOM 2799 O O . SER B 2 158 ? 198.999 38.949 28.057 1.00 64.45 ? 156 SER B O 1 ATOM 2800 C CB . SER B 2 158 ? 201.380 37.015 28.018 1.00 79.31 ? 156 SER B CB 1 ATOM 2801 O OG . SER B 2 158 ? 202.416 36.204 28.543 1.00 94.68 ? 156 SER B OG 1 ATOM 2802 N N . GLY B 2 159 ? 200.774 40.341 27.844 1.00 49.45 ? 157 GLY B N 1 ATOM 2803 C CA . GLY B 2 159 ? 200.077 41.325 27.043 1.00 44.19 ? 157 GLY B CA 1 ATOM 2804 C C . GLY B 2 159 ? 199.126 42.223 27.796 1.00 53.10 ? 157 GLY B C 1 ATOM 2805 O O . GLY B 2 159 ? 198.379 42.973 27.158 1.00 61.07 ? 157 GLY B O 1 ATOM 2806 N N . ASN B 2 160 ? 199.125 42.175 29.130 1.00 50.76 ? 158 ASN B N 1 ATOM 2807 C CA . ASN B 2 160 ? 198.243 43.010 29.936 1.00 49.15 ? 158 ASN B CA 1 ATOM 2808 C C . ASN B 2 160 ? 199.021 43.808 30.980 1.00 40.89 ? 158 ASN B C 1 ATOM 2809 O O . ASN B 2 160 ? 198.478 44.152 32.035 1.00 48.59 ? 158 ASN B O 1 ATOM 2810 C CB . ASN B 2 160 ? 197.154 42.169 30.606 1.00 42.05 ? 158 ASN B CB 1 ATOM 2811 C CG . ASN B 2 160 ? 197.704 40.922 31.268 1.00 56.93 ? 158 ASN B CG 1 ATOM 2812 O OD1 . ASN B 2 160 ? 198.919 40.747 31.378 1.00 59.67 ? 158 ASN B OD1 1 ATOM 2813 N ND2 . ASN B 2 160 ? 196.810 40.043 31.711 1.00 55.27 ? 158 ASN B ND2 1 ATOM 2814 N N . SER B 2 161 ? 200.289 44.115 30.713 1.00 38.73 ? 159 SER B N 1 ATOM 2815 C CA . SER B 2 161 ? 201.054 44.969 31.612 1.00 41.95 ? 159 SER B CA 1 ATOM 2816 C C . SER B 2 161 ? 201.907 45.944 30.813 1.00 44.98 ? 159 SER B C 1 ATOM 2817 O O . SER B 2 161 ? 202.251 45.691 29.656 1.00 49.85 ? 159 SER B O 1 ATOM 2818 C CB . SER B 2 161 ? 201.938 44.158 32.577 1.00 39.66 ? 159 SER B CB 1 ATOM 2819 O OG . SER B 2 161 ? 202.572 43.063 31.941 1.00 44.65 ? 159 SER B OG 1 ATOM 2820 N N . GLN B 2 162 ? 202.234 47.073 31.446 1.00 45.10 ? 160 GLN B N 1 ATOM 2821 C CA . GLN B 2 162 ? 203.110 48.075 30.860 1.00 40.90 ? 160 GLN B CA 1 ATOM 2822 C C . GLN B 2 162 ? 204.117 48.532 31.899 1.00 32.67 ? 160 GLN B C 1 ATOM 2823 O O . GLN B 2 162 ? 203.798 48.650 33.085 1.00 40.03 ? 160 GLN B O 1 ATOM 2824 C CB . GLN B 2 162 ? 202.329 49.280 30.331 1.00 42.12 ? 160 GLN B CB 1 ATOM 2825 C CG . GLN B 2 162 ? 201.424 48.957 29.162 1.00 48.88 ? 160 GLN B CG 1 ATOM 2826 C CD . GLN B 2 162 ? 200.685 50.176 28.664 1.00 55.02 ? 160 GLN B CD 1 ATOM 2827 O OE1 . GLN B 2 162 ? 199.820 50.714 29.353 1.00 67.80 ? 160 GLN B OE1 1 ATOM 2828 N NE2 . GLN B 2 162 ? 201.037 50.634 27.471 1.00 58.08 ? 160 GLN B NE2 1 ATOM 2829 N N . GLU B 2 163 ? 205.334 48.788 31.441 1.00 40.14 ? 161 GLU B N 1 ATOM 2830 C CA . GLU B 2 163 ? 206.454 49.145 32.292 1.00 39.10 ? 161 GLU B CA 1 ATOM 2831 C C . GLU B 2 163 ? 206.920 50.555 31.966 1.00 36.95 ? 161 GLU B C 1 ATOM 2832 O O . GLU B 2 163 ? 206.853 50.998 30.818 1.00 36.76 ? 161 GLU B O 1 ATOM 2833 C CB . GLU B 2 163 ? 207.626 48.179 32.095 1.00 44.12 ? 161 GLU B CB 1 ATOM 2834 C CG . GLU B 2 163 ? 207.685 47.004 33.050 1.00 70.46 ? 161 GLU B CG 1 ATOM 2835 C CD . GLU B 2 163 ? 208.960 46.190 32.869 1.00 86.13 ? 161 GLU B CD 1 ATOM 2836 O OE1 . GLU B 2 163 ? 209.865 46.662 32.144 1.00 87.82 ? 161 GLU B OE1 1 ATOM 2837 O OE2 . GLU B 2 163 ? 209.058 45.084 33.445 1.00 92.44 -1 161 GLU B OE2 1 ATOM 2838 N N . SER B 2 164 ? 207.435 51.239 32.983 1.00 44.67 ? 162 SER B N 1 ATOM 2839 C CA . SER B 2 164 ? 208.020 52.562 32.813 1.00 40.85 ? 162 SER B CA 1 ATOM 2840 C C . SER B 2 164 ? 209.227 52.687 33.734 1.00 36.29 ? 162 SER B C 1 ATOM 2841 O O . SER B 2 164 ? 209.142 52.332 34.914 1.00 31.26 ? 162 SER B O 1 ATOM 2842 C CB . SER B 2 164 ? 206.987 53.645 33.126 1.00 36.14 ? 162 SER B CB 1 ATOM 2843 O OG . SER B 2 164 ? 207.513 54.930 32.883 1.00 49.60 ? 162 SER B OG 1 ATOM 2844 N N . VAL B 2 165 ? 210.341 53.188 33.198 1.00 30.26 ? 163 VAL B N 1 ATOM 2845 C CA . VAL B 2 165 ? 211.592 53.333 33.940 1.00 30.40 ? 163 VAL B CA 1 ATOM 2846 C C . VAL B 2 165 ? 211.952 54.813 34.021 1.00 26.98 ? 163 VAL B C 1 ATOM 2847 O O . VAL B 2 165 ? 211.796 55.557 33.045 1.00 37.60 ? 163 VAL B O 1 ATOM 2848 C CB . VAL B 2 165 ? 212.739 52.523 33.288 1.00 38.50 ? 163 VAL B CB 1 ATOM 2849 C CG1 . VAL B 2 165 ? 213.947 52.459 34.214 1.00 34.30 ? 163 VAL B CG1 1 ATOM 2850 C CG2 . VAL B 2 165 ? 212.268 51.124 32.947 1.00 42.36 ? 163 VAL B CG2 1 ATOM 2851 N N . THR B 2 166 ? 212.396 55.248 35.198 1.00 26.00 ? 164 THR B N 1 ATOM 2852 C CA . THR B 2 166 ? 212.907 56.605 35.334 1.00 32.39 ? 164 THR B CA 1 ATOM 2853 C C . THR B 2 166 ? 214.264 56.729 34.655 1.00 35.10 ? 164 THR B C 1 ATOM 2854 O O . THR B 2 166 ? 214.952 55.738 34.399 1.00 38.83 ? 164 THR B O 1 ATOM 2855 C CB . THR B 2 166 ? 213.091 57.004 36.802 1.00 32.46 ? 164 THR B CB 1 ATOM 2856 O OG1 . THR B 2 166 ? 214.106 56.180 37.391 1.00 42.15 ? 164 THR B OG1 1 ATOM 2857 C CG2 . THR B 2 166 ? 211.802 56.877 37.585 1.00 30.17 ? 164 THR B CG2 1 ATOM 2858 N N . GLU B 2 167 ? 214.658 57.968 34.379 1.00 48.84 ? 165 GLU B N 1 ATOM 2859 C CA . GLU B 2 167 ? 216.037 58.203 33.993 1.00 45.23 ? 165 GLU B CA 1 ATOM 2860 C C . GLU B 2 167 ? 216.934 58.043 35.215 1.00 48.18 ? 165 GLU B C 1 ATOM 2861 O O . GLU B 2 167 ? 216.473 58.021 36.361 1.00 48.27 ? 165 GLU B O 1 ATOM 2862 C CB . GLU B 2 167 ? 216.211 59.591 33.373 1.00 31.19 ? 165 GLU B CB 1 ATOM 2863 C CG . GLU B 2 167 ? 215.592 59.764 31.984 1.00 50.98 ? 165 GLU B CG 1 ATOM 2864 C CD . GLU B 2 167 ? 216.379 59.073 30.867 1.00 83.68 ? 165 GLU B CD 1 ATOM 2865 O OE1 . GLU B 2 167 ? 216.338 57.826 30.782 1.00 89.20 ? 165 GLU B OE1 1 ATOM 2866 O OE2 . GLU B 2 167 ? 217.038 59.781 30.070 1.00 94.92 -1 165 GLU B OE2 1 ATOM 2867 N N . GLN B 2 168 ? 218.232 57.922 34.959 1.00 44.35 ? 166 GLN B N 1 ATOM 2868 C CA . GLN B 2 168 ? 219.182 57.726 36.042 1.00 38.74 ? 166 GLN B CA 1 ATOM 2869 C C . GLN B 2 168 ? 219.109 58.884 37.026 1.00 34.38 ? 166 GLN B C 1 ATOM 2870 O O . GLN B 2 168 ? 219.181 60.053 36.637 1.00 37.60 ? 166 GLN B O 1 ATOM 2871 C CB . GLN B 2 168 ? 220.595 57.590 35.487 1.00 42.28 ? 166 GLN B CB 1 ATOM 2872 C CG . GLN B 2 168 ? 221.578 57.031 36.476 1.00 37.02 ? 166 GLN B CG 1 ATOM 2873 C CD . GLN B 2 168 ? 222.880 56.603 35.824 1.00 38.51 ? 166 GLN B CD 1 ATOM 2874 O OE1 . GLN B 2 168 ? 223.344 57.223 34.869 1.00 52.08 ? 166 GLN B OE1 1 ATOM 2875 N NE2 . GLN B 2 168 ? 223.479 55.542 36.348 1.00 35.94 ? 166 GLN B NE2 1 ATOM 2876 N N . ASP B 2 169 ? 218.951 58.548 38.305 1.00 28.85 ? 167 ASP B N 1 ATOM 2877 C CA . ASP B 2 169 ? 218.844 59.556 39.352 1.00 37.72 ? 167 ASP B CA 1 ATOM 2878 C C . ASP B 2 169 ? 220.106 60.416 39.402 1.00 39.07 ? 167 ASP B C 1 ATOM 2879 O O . ASP B 2 169 ? 221.227 59.901 39.454 1.00 51.79 ? 167 ASP B O 1 ATOM 2880 C CB . ASP B 2 169 ? 218.599 58.863 40.697 1.00 31.93 ? 167 ASP B CB 1 ATOM 2881 C CG . ASP B 2 169 ? 218.154 59.816 41.783 1.00 54.70 ? 167 ASP B CG 1 ATOM 2882 O OD1 . ASP B 2 169 ? 216.951 59.793 42.134 1.00 70.91 ? 167 ASP B OD1 1 ATOM 2883 O OD2 . ASP B 2 169 ? 219.004 60.578 42.294 1.00 65.11 -1 167 ASP B OD2 1 ATOM 2884 N N . SER B 2 170 ? 219.921 61.735 39.367 1.00 45.30 ? 168 SER B N 1 ATOM 2885 C CA . SER B 2 170 ? 221.063 62.643 39.436 1.00 45.53 ? 168 SER B CA 1 ATOM 2886 C C . SER B 2 170 ? 221.817 62.511 40.753 1.00 43.79 ? 168 SER B C 1 ATOM 2887 O O . SER B 2 170 ? 223.037 62.707 40.786 1.00 45.02 ? 168 SER B O 1 ATOM 2888 C CB . SER B 2 170 ? 220.600 64.087 39.249 1.00 40.96 ? 168 SER B CB 1 ATOM 2889 O OG . SER B 2 170 ? 219.758 64.472 40.321 1.00 54.67 ? 168 SER B OG 1 ATOM 2890 N N . LYS B 2 171 ? 221.119 62.173 41.842 1.00 39.82 ? 169 LYS B N 1 ATOM 2891 C CA . LYS B 2 171 ? 221.756 62.115 43.156 1.00 38.12 ? 169 LYS B CA 1 ATOM 2892 C C . LYS B 2 171 ? 222.556 60.823 43.351 1.00 54.10 ? 169 LYS B C 1 ATOM 2893 O O . LYS B 2 171 ? 223.774 60.866 43.557 1.00 58.23 ? 169 LYS B O 1 ATOM 2894 C CB . LYS B 2 171 ? 220.705 62.278 44.258 1.00 53.02 ? 169 LYS B CB 1 ATOM 2895 C CG . LYS B 2 171 ? 221.274 62.365 45.667 1.00 57.20 ? 169 LYS B CG 1 ATOM 2896 N N . ASP B 2 172 ? 221.899 59.660 43.293 1.00 49.78 ? 170 ASP B N 1 ATOM 2897 C CA . ASP B 2 172 ? 222.575 58.408 43.624 1.00 41.17 ? 170 ASP B CA 1 ATOM 2898 C C . ASP B 2 172 ? 222.759 57.469 42.429 1.00 34.80 ? 170 ASP B C 1 ATOM 2899 O O . ASP B 2 172 ? 223.254 56.349 42.606 1.00 38.72 ? 170 ASP B O 1 ATOM 2900 C CB . ASP B 2 172 ? 221.848 57.695 44.773 1.00 43.03 ? 170 ASP B CB 1 ATOM 2901 C CG . ASP B 2 172 ? 220.411 57.325 44.438 1.00 57.61 ? 170 ASP B CG 1 ATOM 2902 O OD1 . ASP B 2 172 ? 220.049 57.333 43.243 1.00 54.97 ? 170 ASP B OD1 1 ATOM 2903 O OD2 . ASP B 2 172 ? 219.648 56.999 45.380 1.00 63.02 -1 170 ASP B OD2 1 ATOM 2904 N N . SER B 2 173 ? 222.359 57.888 41.230 1.00 25.70 ? 171 SER B N 1 ATOM 2905 C CA . SER B 2 173 ? 222.595 57.176 39.971 1.00 33.54 ? 171 SER B CA 1 ATOM 2906 C C . SER B 2 173 ? 221.832 55.851 39.852 1.00 33.74 ? 171 SER B C 1 ATOM 2907 O O . SER B 2 173 ? 222.209 55.000 39.041 1.00 32.57 ? 171 SER B O 1 ATOM 2908 C CB . SER B 2 173 ? 224.096 56.941 39.743 1.00 32.35 ? 171 SER B CB 1 ATOM 2909 O OG . SER B 2 173 ? 224.769 58.160 39.468 1.00 47.00 ? 171 SER B OG 1 ATOM 2910 N N . THR B 2 174 ? 220.751 55.657 40.611 1.00 30.36 ? 172 THR B N 1 ATOM 2911 C CA . THR B 2 174 ? 219.929 54.461 40.496 1.00 23.74 ? 172 THR B CA 1 ATOM 2912 C C . THR B 2 174 ? 218.757 54.685 39.545 1.00 23.14 ? 172 THR B C 1 ATOM 2913 O O . THR B 2 174 ? 218.496 55.792 39.069 1.00 26.76 ? 172 THR B O 1 ATOM 2914 C CB . THR B 2 174 ? 219.404 54.016 41.864 1.00 36.83 ? 172 THR B CB 1 ATOM 2915 O OG1 . THR B 2 174 ? 218.531 55.021 42.392 1.00 39.55 ? 172 THR B OG1 1 ATOM 2916 C CG2 . THR B 2 174 ? 220.558 53.773 42.840 1.00 27.90 ? 172 THR B CG2 1 ATOM 2917 N N . TYR B 2 175 ? 218.059 53.595 39.251 1.00 25.36 ? 173 TYR B N 1 ATOM 2918 C CA . TYR B 2 175 ? 216.838 53.627 38.465 1.00 23.80 ? 173 TYR B CA 1 ATOM 2919 C C . TYR B 2 175 ? 215.676 53.137 39.312 1.00 29.09 ? 173 TYR B C 1 ATOM 2920 O O . TYR B 2 175 ? 215.849 52.433 40.313 1.00 31.78 ? 173 TYR B O 1 ATOM 2921 C CB . TYR B 2 175 ? 216.919 52.742 37.216 1.00 25.18 ? 173 TYR B CB 1 ATOM 2922 C CG . TYR B 2 175 ? 218.016 53.083 36.262 1.00 25.76 ? 173 TYR B CG 1 ATOM 2923 C CD1 . TYR B 2 175 ? 217.790 53.960 35.192 1.00 21.78 ? 173 TYR B CD1 1 ATOM 2924 C CD2 . TYR B 2 175 ? 219.277 52.509 36.401 1.00 24.98 ? 173 TYR B CD2 1 ATOM 2925 C CE1 . TYR B 2 175 ? 218.804 54.271 34.305 1.00 32.21 ? 173 TYR B CE1 1 ATOM 2926 C CE2 . TYR B 2 175 ? 220.295 52.812 35.516 1.00 26.34 ? 173 TYR B CE2 1 ATOM 2927 C CZ . TYR B 2 175 ? 220.062 53.687 34.476 1.00 30.46 ? 173 TYR B CZ 1 ATOM 2928 O OH . TYR B 2 175 ? 221.094 53.979 33.608 1.00 51.60 ? 173 TYR B OH 1 ATOM 2929 N N . SER B 2 176 ? 214.484 53.503 38.878 1.00 29.33 ? 174 SER B N 1 ATOM 2930 C CA . SER B 2 176 ? 213.261 52.969 39.445 1.00 27.99 ? 174 SER B CA 1 ATOM 2931 C C . SER B 2 176 ? 212.362 52.503 38.315 1.00 24.43 ? 174 SER B C 1 ATOM 2932 O O . SER B 2 176 ? 212.437 53.006 37.189 1.00 31.52 ? 174 SER B O 1 ATOM 2933 C CB . SER B 2 176 ? 212.554 54.002 40.311 1.00 27.27 ? 174 SER B CB 1 ATOM 2934 O OG . SER B 2 176 ? 213.263 54.185 41.523 1.00 38.11 ? 174 SER B OG 1 ATOM 2935 N N . LEU B 2 177 ? 211.512 51.533 38.618 1.00 28.36 ? 175 LEU B N 1 ATOM 2936 C CA . LEU B 2 177 ? 210.655 50.968 37.592 1.00 32.74 ? 175 LEU B CA 1 ATOM 2937 C C . LEU B 2 177 ? 209.289 50.706 38.191 1.00 28.71 ? 175 LEU B C 1 ATOM 2938 O O . LEU B 2 177 ? 209.176 50.275 39.339 1.00 34.55 ? 175 LEU B O 1 ATOM 2939 C CB . LEU B 2 177 ? 211.254 49.675 37.013 1.00 43.64 ? 175 LEU B CB 1 ATOM 2940 C CG . LEU B 2 177 ? 210.509 48.973 35.876 1.00 41.97 ? 175 LEU B CG 1 ATOM 2941 C CD1 . LEU B 2 177 ? 211.492 48.242 34.998 1.00 31.17 ? 175 LEU B CD1 1 ATOM 2942 C CD2 . LEU B 2 177 ? 209.470 47.995 36.411 1.00 37.20 ? 175 LEU B CD2 1 ATOM 2943 N N A SER B 2 178 ? 208.264 50.951 37.390 0.50 30.74 ? 176 SER B N 1 ATOM 2944 N N B SER B 2 178 ? 208.247 50.980 37.411 0.50 30.54 ? 176 SER B N 1 ATOM 2945 C CA A SER B 2 178 ? 206.885 50.706 37.768 0.50 31.66 ? 176 SER B CA 1 ATOM 2946 C CA B SER B 2 178 ? 206.870 50.715 37.809 0.50 31.54 ? 176 SER B CA 1 ATOM 2947 C C A SER B 2 178 ? 206.239 49.875 36.677 0.50 37.68 ? 176 SER B C 1 ATOM 2948 C C B SER B 2 178 ? 206.193 49.916 36.707 0.50 37.61 ? 176 SER B C 1 ATOM 2949 O O A SER B 2 178 ? 206.280 50.253 35.502 0.50 40.18 ? 176 SER B O 1 ATOM 2950 O O B SER B 2 178 ? 206.178 50.346 35.549 0.50 40.21 ? 176 SER B O 1 ATOM 2951 C CB A SER B 2 178 ? 206.127 52.014 37.929 0.50 29.23 ? 176 SER B CB 1 ATOM 2952 C CB B SER B 2 178 ? 206.110 52.019 38.072 0.50 29.50 ? 176 SER B CB 1 ATOM 2953 O OG A SER B 2 178 ? 206.048 52.653 36.668 0.50 26.74 ? 176 SER B OG 1 ATOM 2954 O OG B SER B 2 178 ? 204.714 51.791 38.199 0.50 29.98 ? 176 SER B OG 1 ATOM 2955 N N . SER B 2 179 ? 205.651 48.752 37.061 1.00 33.08 ? 177 SER B N 1 ATOM 2956 C CA . SER B 2 179 ? 204.869 47.934 36.147 1.00 37.30 ? 177 SER B CA 1 ATOM 2957 C C . SER B 2 179 ? 203.420 47.917 36.598 1.00 39.29 ? 177 SER B C 1 ATOM 2958 O O . SER B 2 179 ? 203.131 47.782 37.791 1.00 38.75 ? 177 SER B O 1 ATOM 2959 C CB . SER B 2 179 ? 205.384 46.501 36.070 1.00 30.45 ? 177 SER B CB 1 ATOM 2960 O OG . SER B 2 179 ? 204.632 45.786 35.103 1.00 39.22 ? 177 SER B OG 1 ATOM 2961 N N . THR B 2 180 ? 202.511 48.034 35.642 1.00 43.05 ? 178 THR B N 1 ATOM 2962 C CA . THR B 2 180 ? 201.087 48.084 35.934 1.00 46.27 ? 178 THR B CA 1 ATOM 2963 C C . THR B 2 180 ? 200.382 46.966 35.181 1.00 43.80 ? 178 THR B C 1 ATOM 2964 O O . THR B 2 180 ? 200.466 46.888 33.952 1.00 45.23 ? 178 THR B O 1 ATOM 2965 C CB . THR B 2 180 ? 200.510 49.452 35.568 1.00 51.43 ? 178 THR B CB 1 ATOM 2966 O OG1 . THR B 2 180 ? 201.164 50.456 36.353 1.00 59.72 ? 178 THR B OG1 1 ATOM 2967 C CG2 . THR B 2 180 ? 199.025 49.497 35.848 1.00 55.00 ? 178 THR B CG2 1 ATOM 2968 N N . LEU B 2 181 ? 199.710 46.094 35.925 1.00 41.96 ? 179 LEU B N 1 ATOM 2969 C CA . LEU B 2 181 ? 198.868 45.052 35.355 1.00 39.37 ? 179 LEU B CA 1 ATOM 2970 C C . LEU B 2 181 ? 197.434 45.566 35.322 1.00 37.52 ? 179 LEU B C 1 ATOM 2971 O O . LEU B 2 181 ? 196.881 45.927 36.366 1.00 44.34 ? 179 LEU B O 1 ATOM 2972 C CB . LEU B 2 181 ? 198.970 43.770 36.183 1.00 36.15 ? 179 LEU B CB 1 ATOM 2973 C CG . LEU B 2 181 ? 198.022 42.616 35.828 1.00 45.10 ? 179 LEU B CG 1 ATOM 2974 C CD1 . LEU B 2 181 ? 198.536 41.835 34.622 1.00 39.49 ? 179 LEU B CD1 1 ATOM 2975 C CD2 . LEU B 2 181 ? 197.823 41.700 37.023 1.00 40.86 ? 179 LEU B CD2 1 ATOM 2976 N N . THR B 2 182 ? 196.835 45.612 34.135 1.00 51.62 ? 180 THR B N 1 ATOM 2977 C CA . THR B 2 182 ? 195.503 46.182 33.947 1.00 51.74 ? 180 THR B CA 1 ATOM 2978 C C . THR B 2 182 ? 194.502 45.074 33.631 1.00 55.64 ? 180 THR B C 1 ATOM 2979 O O . THR B 2 182 ? 194.667 44.345 32.648 1.00 64.59 ? 180 THR B O 1 ATOM 2980 C CB . THR B 2 182 ? 195.507 47.231 32.833 1.00 59.33 ? 180 THR B CB 1 ATOM 2981 O OG1 . THR B 2 182 ? 196.266 48.377 33.246 1.00 66.70 ? 180 THR B OG1 1 ATOM 2982 C CG2 . THR B 2 182 ? 194.084 47.663 32.500 1.00 49.57 ? 180 THR B CG2 1 ATOM 2983 N N . LEU B 2 183 ? 193.464 44.959 34.464 1.00 48.88 ? 181 LEU B N 1 ATOM 2984 C CA . LEU B 2 183 ? 192.394 43.986 34.285 1.00 51.96 ? 181 LEU B CA 1 ATOM 2985 C C . LEU B 2 183 ? 191.047 44.680 34.404 1.00 58.63 ? 181 LEU B C 1 ATOM 2986 O O . LEU B 2 183 ? 190.916 45.684 35.110 1.00 56.75 ? 181 LEU B O 1 ATOM 2987 C CB . LEU B 2 183 ? 192.451 42.868 35.335 1.00 46.43 ? 181 LEU B CB 1 ATOM 2988 C CG . LEU B 2 183 ? 193.824 42.270 35.607 1.00 62.09 ? 181 LEU B CG 1 ATOM 2989 C CD1 . LEU B 2 183 ? 193.783 41.426 36.861 1.00 70.41 ? 181 LEU B CD1 1 ATOM 2990 C CD2 . LEU B 2 183 ? 194.285 41.451 34.412 1.00 63.43 ? 181 LEU B CD2 1 ATOM 2991 N N . SER B 2 184 ? 190.040 44.133 33.723 1.00 54.75 ? 182 SER B N 1 ATOM 2992 C CA . SER B 2 184 ? 188.684 44.595 33.971 1.00 57.02 ? 182 SER B CA 1 ATOM 2993 C C . SER B 2 184 ? 188.272 44.200 35.386 1.00 62.36 ? 182 SER B C 1 ATOM 2994 O O . SER B 2 184 ? 188.860 43.304 35.999 1.00 55.03 ? 182 SER B O 1 ATOM 2995 C CB . SER B 2 184 ? 187.709 44.017 32.943 1.00 66.09 ? 182 SER B CB 1 ATOM 2996 O OG . SER B 2 184 ? 187.504 42.628 33.131 1.00 65.07 ? 182 SER B OG 1 ATOM 2997 N N . LYS B 2 185 ? 187.265 44.898 35.923 1.00 54.92 ? 183 LYS B N 1 ATOM 2998 C CA . LYS B 2 185 ? 186.819 44.576 37.274 1.00 62.72 ? 183 LYS B CA 1 ATOM 2999 C C . LYS B 2 185 ? 186.367 43.125 37.369 1.00 68.41 ? 183 LYS B C 1 ATOM 3000 O O . LYS B 2 185 ? 186.661 42.438 38.355 1.00 65.37 ? 183 LYS B O 1 ATOM 3001 C CB . LYS B 2 185 ? 185.693 45.510 37.716 1.00 59.12 ? 183 LYS B CB 1 ATOM 3002 C CG . LYS B 2 185 ? 185.345 45.354 39.193 1.00 61.22 ? 183 LYS B CG 1 ATOM 3003 C CD . LYS B 2 185 ? 184.208 46.270 39.603 1.00 79.81 ? 183 LYS B CD 1 ATOM 3004 C CE . LYS B 2 185 ? 183.897 46.133 41.085 1.00 89.84 ? 183 LYS B CE 1 ATOM 3005 N NZ . LYS B 2 185 ? 182.911 47.152 41.539 1.00 95.40 1 183 LYS B NZ 1 ATOM 3006 N N . ALA B 2 186 ? 185.670 42.635 36.342 1.00 74.08 ? 184 ALA B N 1 ATOM 3007 C CA . ALA B 2 186 ? 185.194 41.256 36.367 1.00 78.81 ? 184 ALA B CA 1 ATOM 3008 C C . ALA B 2 186 ? 186.358 40.280 36.490 1.00 77.13 ? 184 ALA B C 1 ATOM 3009 O O . ALA B 2 186 ? 186.379 39.435 37.394 1.00 69.65 ? 184 ALA B O 1 ATOM 3010 C CB . ALA B 2 186 ? 184.358 40.963 35.119 1.00 69.95 ? 184 ALA B CB 1 ATOM 3011 N N . ASP B 2 187 ? 187.353 40.397 35.606 1.00 77.87 ? 185 ASP B N 1 ATOM 3012 C CA . ASP B 2 187 ? 188.505 39.501 35.679 1.00 77.62 ? 185 ASP B CA 1 ATOM 3013 C C . ASP B 2 187 ? 189.210 39.612 37.024 1.00 63.79 ? 185 ASP B C 1 ATOM 3014 O O . ASP B 2 187 ? 189.663 38.603 37.579 1.00 63.60 ? 185 ASP B O 1 ATOM 3015 C CB . ASP B 2 187 ? 189.477 39.788 34.534 1.00 89.63 ? 185 ASP B CB 1 ATOM 3016 C CG . ASP B 2 187 ? 188.944 39.329 33.189 1.00 108.13 ? 185 ASP B CG 1 ATOM 3017 O OD1 . ASP B 2 187 ? 188.175 38.341 33.162 1.00 119.76 ? 185 ASP B OD1 1 ATOM 3018 O OD2 . ASP B 2 187 ? 189.289 39.957 32.162 1.00 107.14 -1 185 ASP B OD2 1 ATOM 3019 N N . TYR B 2 188 ? 189.286 40.825 37.581 1.00 54.33 ? 186 TYR B N 1 ATOM 3020 C CA . TYR B 2 188 ? 190.001 41.009 38.841 1.00 53.97 ? 186 TYR B CA 1 ATOM 3021 C C . TYR B 2 188 ? 189.279 40.327 40.001 1.00 60.91 ? 186 TYR B C 1 ATOM 3022 O O . TYR B 2 188 ? 189.926 39.756 40.888 1.00 61.60 ? 186 TYR B O 1 ATOM 3023 C CB . TYR B 2 188 ? 190.205 42.499 39.123 1.00 53.84 ? 186 TYR B CB 1 ATOM 3024 C CG . TYR B 2 188 ? 190.772 42.790 40.496 1.00 57.91 ? 186 TYR B CG 1 ATOM 3025 C CD1 . TYR B 2 188 ? 192.119 42.582 40.777 1.00 54.50 ? 186 TYR B CD1 1 ATOM 3026 C CD2 . TYR B 2 188 ? 189.959 43.272 41.511 1.00 49.05 ? 186 TYR B CD2 1 ATOM 3027 C CE1 . TYR B 2 188 ? 192.634 42.841 42.038 1.00 44.77 ? 186 TYR B CE1 1 ATOM 3028 C CE2 . TYR B 2 188 ? 190.462 43.536 42.763 1.00 48.04 ? 186 TYR B CE2 1 ATOM 3029 C CZ . TYR B 2 188 ? 191.797 43.316 43.027 1.00 58.43 ? 186 TYR B CZ 1 ATOM 3030 O OH . TYR B 2 188 ? 192.286 43.579 44.288 1.00 58.70 ? 186 TYR B OH 1 ATOM 3031 N N . GLU B 2 189 ? 187.946 40.353 40.007 1.00 59.82 ? 187 GLU B N 1 ATOM 3032 C CA . GLU B 2 189 ? 187.184 39.772 41.108 1.00 68.56 ? 187 GLU B CA 1 ATOM 3033 C C . GLU B 2 189 ? 187.024 38.256 41.012 1.00 71.32 ? 187 GLU B C 1 ATOM 3034 O O . GLU B 2 189 ? 186.444 37.660 41.927 1.00 81.08 ? 187 GLU B O 1 ATOM 3035 C CB . GLU B 2 189 ? 185.796 40.420 41.200 1.00 71.55 ? 187 GLU B CB 1 ATOM 3036 C CG . GLU B 2 189 ? 185.801 41.918 41.487 1.00 80.46 ? 187 GLU B CG 1 ATOM 3037 C CD . GLU B 2 189 ? 186.237 42.255 42.904 1.00 99.40 ? 187 GLU B CD 1 ATOM 3038 O OE1 . GLU B 2 189 ? 186.370 41.326 43.730 1.00 107.75 ? 187 GLU B OE1 1 ATOM 3039 O OE2 . GLU B 2 189 ? 186.445 43.454 43.194 1.00 102.77 -1 187 GLU B OE2 1 ATOM 3040 N N . LYS B 2 190 ? 187.514 37.612 39.949 1.00 69.65 ? 188 LYS B N 1 ATOM 3041 C CA . LYS B 2 190 ? 187.398 36.164 39.808 1.00 77.21 ? 188 LYS B CA 1 ATOM 3042 C C . LYS B 2 190 ? 188.724 35.440 40.043 1.00 76.79 ? 188 LYS B C 1 ATOM 3043 O O . LYS B 2 190 ? 188.864 34.273 39.664 1.00 82.21 ? 188 LYS B O 1 ATOM 3044 C CB . LYS B 2 190 ? 186.814 35.800 38.438 1.00 83.00 ? 188 LYS B CB 1 ATOM 3045 C CG . LYS B 2 190 ? 187.565 36.347 37.229 1.00 84.32 ? 188 LYS B CG 1 ATOM 3046 C CD . LYS B 2 190 ? 186.749 36.185 35.940 1.00 81.94 ? 188 LYS B CD 1 ATOM 3047 N N . HIS B 2 191 ? 189.693 36.105 40.673 1.00 71.55 ? 189 HIS B N 1 ATOM 3048 C CA . HIS B 2 191 ? 190.956 35.486 41.056 1.00 63.92 ? 189 HIS B CA 1 ATOM 3049 C C . HIS B 2 191 ? 191.383 36.036 42.411 1.00 64.76 ? 189 HIS B C 1 ATOM 3050 O O . HIS B 2 191 ? 190.946 37.112 42.827 1.00 69.52 ? 189 HIS B O 1 ATOM 3051 C CB . HIS B 2 191 ? 192.051 35.725 40.011 1.00 53.02 ? 189 HIS B CB 1 ATOM 3052 C CG . HIS B 2 191 ? 191.778 35.070 38.695 1.00 72.28 ? 189 HIS B CG 1 ATOM 3053 N ND1 . HIS B 2 191 ? 191.452 35.784 37.562 1.00 84.08 ? 189 HIS B ND1 1 ATOM 3054 C CD2 . HIS B 2 191 ? 191.769 33.765 38.334 1.00 74.44 ? 189 HIS B CD2 1 ATOM 3055 C CE1 . HIS B 2 191 ? 191.261 34.947 36.557 1.00 84.61 ? 189 HIS B CE1 1 ATOM 3056 N NE2 . HIS B 2 191 ? 191.447 33.716 36.999 1.00 80.70 ? 189 HIS B NE2 1 ATOM 3057 N N . LYS B 2 192 ? 192.256 35.291 43.092 1.00 50.85 ? 190 LYS B N 1 ATOM 3058 C CA . LYS B 2 192 ? 192.566 35.532 44.499 1.00 52.99 ? 190 LYS B CA 1 ATOM 3059 C C . LYS B 2 192 ? 193.966 36.082 44.743 1.00 53.32 ? 190 LYS B C 1 ATOM 3060 O O . LYS B 2 192 ? 194.113 37.095 45.432 1.00 59.81 ? 190 LYS B O 1 ATOM 3061 C CB . LYS B 2 192 ? 192.371 34.234 45.298 1.00 62.18 ? 190 LYS B CB 1 ATOM 3062 C CG . LYS B 2 192 ? 192.533 34.389 46.798 1.00 76.21 ? 190 LYS B CG 1 ATOM 3063 C CD . LYS B 2 192 ? 191.421 35.227 47.400 1.00 82.45 ? 190 LYS B CD 1 ATOM 3064 C CE . LYS B 2 192 ? 191.559 35.324 48.914 1.00 85.50 ? 190 LYS B CE 1 ATOM 3065 N NZ . LYS B 2 192 ? 190.477 36.161 49.509 1.00 81.52 1 190 LYS B NZ 1 ATOM 3066 N N . VAL B 2 193 ? 195.012 35.448 44.218 1.00 55.32 ? 191 VAL B N 1 ATOM 3067 C CA . VAL B 2 193 ? 196.391 35.823 44.524 1.00 53.40 ? 191 VAL B CA 1 ATOM 3068 C C . VAL B 2 193 ? 196.995 36.545 43.329 1.00 51.02 ? 191 VAL B C 1 ATOM 3069 O O . VAL B 2 193 ? 197.025 36.005 42.216 1.00 51.71 ? 191 VAL B O 1 ATOM 3070 C CB . VAL B 2 193 ? 197.252 34.604 44.902 1.00 44.98 ? 191 VAL B CB 1 ATOM 3071 C CG1 . VAL B 2 193 ? 198.678 35.051 45.209 1.00 43.00 ? 191 VAL B CG1 1 ATOM 3072 C CG2 . VAL B 2 193 ? 196.656 33.865 46.087 1.00 51.54 ? 191 VAL B CG2 1 ATOM 3073 N N . TYR B 2 194 ? 197.508 37.748 43.569 1.00 42.12 ? 192 TYR B N 1 ATOM 3074 C CA . TYR B 2 194 ? 198.204 38.534 42.560 1.00 46.82 ? 192 TYR B CA 1 ATOM 3075 C C . TYR B 2 194 ? 199.636 38.723 43.022 1.00 41.95 ? 192 TYR B C 1 ATOM 3076 O O . TYR B 2 194 ? 199.867 39.083 44.178 1.00 51.97 ? 192 TYR B O 1 ATOM 3077 C CB . TYR B 2 194 ? 197.512 39.888 42.341 1.00 39.76 ? 192 TYR B CB 1 ATOM 3078 C CG . TYR B 2 194 ? 196.145 39.735 41.702 1.00 44.39 ? 192 TYR B CG 1 ATOM 3079 C CD1 . TYR B 2 194 ? 195.069 39.221 42.417 1.00 54.17 ? 192 TYR B CD1 1 ATOM 3080 C CD2 . TYR B 2 194 ? 195.942 40.073 40.375 1.00 52.27 ? 192 TYR B CD2 1 ATOM 3081 C CE1 . TYR B 2 194 ? 193.822 39.059 41.821 1.00 65.20 ? 192 TYR B CE1 1 ATOM 3082 C CE2 . TYR B 2 194 ? 194.708 39.916 39.777 1.00 47.21 ? 192 TYR B CE2 1 ATOM 3083 C CZ . TYR B 2 194 ? 193.655 39.411 40.501 1.00 52.53 ? 192 TYR B CZ 1 ATOM 3084 O OH . TYR B 2 194 ? 192.432 39.256 39.899 1.00 53.49 ? 192 TYR B OH 1 ATOM 3085 N N . ALA B 2 195 ? 200.595 38.471 42.131 1.00 43.45 ? 193 ALA B N 1 ATOM 3086 C CA . ALA B 2 195 ? 202.001 38.540 42.503 1.00 42.20 ? 193 ALA B CA 1 ATOM 3087 C C . ALA B 2 195 ? 202.840 39.046 41.340 1.00 47.23 ? 193 ALA B C 1 ATOM 3088 O O . ALA B 2 195 ? 202.587 38.678 40.190 1.00 48.22 ? 193 ALA B O 1 ATOM 3089 C CB . ALA B 2 195 ? 202.512 37.165 42.940 1.00 37.01 ? 193 ALA B CB 1 ATOM 3090 N N . CYS B 2 196 ? 203.833 39.893 41.641 1.00 46.88 ? 194 CYS B N 1 ATOM 3091 C CA A CYS B 2 196 ? 204.874 40.249 40.684 0.68 51.16 ? 194 CYS B CA 1 ATOM 3092 C CA B CYS B 2 196 ? 204.874 40.250 40.685 0.32 51.36 ? 194 CYS B CA 1 ATOM 3093 C C . CYS B 2 196 ? 206.203 39.681 41.161 1.00 52.44 ? 194 CYS B C 1 ATOM 3094 O O . CYS B 2 196 ? 206.608 39.907 42.306 1.00 47.06 ? 194 CYS B O 1 ATOM 3095 C CB A CYS B 2 196 ? 204.983 41.764 40.471 0.68 53.38 ? 194 CYS B CB 1 ATOM 3096 C CB B CYS B 2 196 ? 204.976 41.768 40.476 0.32 54.78 ? 194 CYS B CB 1 ATOM 3097 S SG A CYS B 2 196 ? 205.350 42.785 41.919 0.68 64.73 ? 194 CYS B SG 1 ATOM 3098 S SG B CYS B 2 196 ? 205.307 42.813 41.926 0.32 62.16 ? 194 CYS B SG 1 ATOM 3099 N N . GLU B 2 197 ? 206.857 38.924 40.290 1.00 53.09 ? 195 GLU B N 1 ATOM 3100 C CA . GLU B 2 197 ? 208.146 38.320 40.579 1.00 49.06 ? 195 GLU B CA 1 ATOM 3101 C C . GLU B 2 197 ? 209.228 39.114 39.857 1.00 45.81 ? 195 GLU B C 1 ATOM 3102 O O . GLU B 2 197 ? 209.148 39.312 38.641 1.00 45.00 ? 195 GLU B O 1 ATOM 3103 C CB . GLU B 2 197 ? 208.167 36.856 40.146 1.00 51.02 ? 195 GLU B CB 1 ATOM 3104 C CG . GLU B 2 197 ? 209.380 36.093 40.630 1.00 81.41 ? 195 GLU B CG 1 ATOM 3105 C CD . GLU B 2 197 ? 209.750 34.943 39.713 1.00 105.74 ? 195 GLU B CD 1 ATOM 3106 O OE1 . GLU B 2 197 ? 209.226 34.890 38.577 1.00 109.37 ? 195 GLU B OE1 1 ATOM 3107 O OE2 . GLU B 2 197 ? 210.570 34.095 40.130 1.00 117.20 -1 195 GLU B OE2 1 ATOM 3108 N N . VAL B 2 198 ? 210.230 39.559 40.611 1.00 42.51 ? 196 VAL B N 1 ATOM 3109 C CA . VAL B 2 198 ? 211.247 40.497 40.149 1.00 36.01 ? 196 VAL B CA 1 ATOM 3110 C C . VAL B 2 198 ? 212.587 39.774 40.082 1.00 44.20 ? 196 VAL B C 1 ATOM 3111 O O . VAL B 2 198 ? 212.995 39.125 41.051 1.00 39.11 ? 196 VAL B O 1 ATOM 3112 C CB . VAL B 2 198 ? 211.331 41.710 41.087 1.00 40.55 ? 196 VAL B CB 1 ATOM 3113 C CG1 . VAL B 2 198 ? 212.512 42.597 40.719 1.00 41.57 ? 196 VAL B CG1 1 ATOM 3114 C CG2 . VAL B 2 198 ? 210.015 42.482 41.069 1.00 50.95 ? 196 VAL B CG2 1 ATOM 3115 N N . THR B 2 199 ? 213.271 39.889 38.944 1.00 49.92 ? 197 THR B N 1 ATOM 3116 C CA . THR B 2 199 ? 214.609 39.340 38.765 1.00 43.79 ? 197 THR B CA 1 ATOM 3117 C C . THR B 2 199 ? 215.592 40.477 38.524 1.00 37.86 ? 197 THR B C 1 ATOM 3118 O O . THR B 2 199 ? 215.353 41.343 37.675 1.00 45.72 ? 197 THR B O 1 ATOM 3119 C CB . THR B 2 199 ? 214.649 38.345 37.602 1.00 52.04 ? 197 THR B CB 1 ATOM 3120 O OG1 . THR B 2 199 ? 213.715 37.288 37.849 1.00 63.45 ? 197 THR B OG1 1 ATOM 3121 C CG2 . THR B 2 199 ? 216.042 37.748 37.456 1.00 53.12 ? 197 THR B CG2 1 ATOM 3122 N N . HIS B 2 200 ? 216.692 40.479 39.269 1.00 39.08 ? 198 HIS B N 1 ATOM 3123 C CA . HIS B 2 200 ? 217.689 41.534 39.142 1.00 37.19 ? 198 HIS B CA 1 ATOM 3124 C C . HIS B 2 200 ? 218.988 41.031 39.742 1.00 33.49 ? 198 HIS B C 1 ATOM 3125 O O . HIS B 2 200 ? 218.972 40.321 40.751 1.00 39.10 ? 198 HIS B O 1 ATOM 3126 C CB . HIS B 2 200 ? 217.246 42.825 39.843 1.00 39.97 ? 198 HIS B CB 1 ATOM 3127 C CG . HIS B 2 200 ? 218.220 43.950 39.698 1.00 31.44 ? 198 HIS B CG 1 ATOM 3128 N ND1 . HIS B 2 200 ? 219.290 44.127 40.552 1.00 27.49 ? 198 HIS B ND1 1 ATOM 3129 C CD2 . HIS B 2 200 ? 218.295 44.949 38.790 1.00 28.58 ? 198 HIS B CD2 1 ATOM 3130 C CE1 . HIS B 2 200 ? 219.981 45.185 40.171 1.00 29.40 ? 198 HIS B CE1 1 ATOM 3131 N NE2 . HIS B 2 200 ? 219.405 45.697 39.098 1.00 24.78 ? 198 HIS B NE2 1 ATOM 3132 N N . GLN B 2 201 ? 220.115 41.415 39.139 1.00 36.42 ? 199 GLN B N 1 ATOM 3133 C CA . GLN B 2 201 ? 221.369 40.806 39.567 1.00 38.03 ? 199 GLN B CA 1 ATOM 3134 C C . GLN B 2 201 ? 221.730 41.135 41.012 1.00 40.69 ? 199 GLN B C 1 ATOM 3135 O O . GLN B 2 201 ? 222.557 40.437 41.600 1.00 47.61 ? 199 GLN B O 1 ATOM 3136 C CB . GLN B 2 201 ? 222.500 41.228 38.654 1.00 35.65 ? 199 GLN B CB 1 ATOM 3137 C CG . GLN B 2 201 ? 222.884 42.660 38.813 1.00 38.83 ? 199 GLN B CG 1 ATOM 3138 C CD . GLN B 2 201 ? 224.026 43.001 37.909 1.00 50.02 ? 199 GLN B CD 1 ATOM 3139 O OE1 . GLN B 2 201 ? 223.818 43.496 36.802 1.00 44.31 ? 199 GLN B OE1 1 ATOM 3140 N NE2 . GLN B 2 201 ? 225.247 42.702 38.353 1.00 51.34 ? 199 GLN B NE2 1 ATOM 3141 N N . GLY B 2 202 ? 221.138 42.171 41.601 1.00 39.46 ? 200 GLY B N 1 ATOM 3142 C CA . GLY B 2 202 ? 221.428 42.437 42.997 1.00 39.01 ? 200 GLY B CA 1 ATOM 3143 C C . GLY B 2 202 ? 220.755 41.496 43.974 1.00 44.15 ? 200 GLY B C 1 ATOM 3144 O O . GLY B 2 202 ? 220.974 41.636 45.181 1.00 45.54 ? 200 GLY B O 1 ATOM 3145 N N . LEU B 2 203 ? 219.944 40.555 43.488 1.00 47.53 ? 201 LEU B N 1 ATOM 3146 C CA . LEU B 2 203 ? 219.180 39.641 44.330 1.00 47.09 ? 201 LEU B CA 1 ATOM 3147 C C . LEU B 2 203 ? 219.726 38.226 44.196 1.00 58.85 ? 201 LEU B C 1 ATOM 3148 O O . LEU B 2 203 ? 219.913 37.735 43.076 1.00 59.17 ? 201 LEU B O 1 ATOM 3149 C CB . LEU B 2 203 ? 217.701 39.656 43.947 1.00 37.99 ? 201 LEU B CB 1 ATOM 3150 C CG . LEU B 2 203 ? 216.999 41.008 44.015 1.00 48.81 ? 201 LEU B CG 1 ATOM 3151 C CD1 . LEU B 2 203 ? 215.677 40.959 43.264 1.00 41.70 ? 201 LEU B CD1 1 ATOM 3152 C CD2 . LEU B 2 203 ? 216.789 41.412 45.464 1.00 43.29 ? 201 LEU B CD2 1 ATOM 3153 N N . ARG B 2 204 ? 219.962 37.570 45.340 1.00 59.17 ? 202 ARG B N 1 ATOM 3154 C CA . ARG B 2 204 ? 220.459 36.196 45.321 1.00 64.97 ? 202 ARG B CA 1 ATOM 3155 C C . ARG B 2 204 ? 219.497 35.269 44.583 1.00 79.58 ? 202 ARG B C 1 ATOM 3156 O O . ARG B 2 204 ? 219.927 34.382 43.833 1.00 87.11 ? 202 ARG B O 1 ATOM 3157 C CB . ARG B 2 204 ? 220.693 35.705 46.750 1.00 63.15 ? 202 ARG B CB 1 ATOM 3158 N N . SER B 2 205 ? 218.199 35.458 44.780 1.00 72.64 ? 203 SER B N 1 ATOM 3159 C CA . SER B 2 205 ? 217.158 34.751 44.051 1.00 70.71 ? 203 SER B CA 1 ATOM 3160 C C . SER B 2 205 ? 216.026 35.737 43.792 1.00 55.54 ? 203 SER B C 1 ATOM 3161 O O . SER B 2 205 ? 215.951 36.779 44.448 1.00 52.13 ? 203 SER B O 1 ATOM 3162 C CB . SER B 2 205 ? 216.652 33.525 44.828 1.00 80.03 ? 203 SER B CB 1 ATOM 3163 O OG . SER B 2 205 ? 216.283 33.866 46.153 1.00 87.47 ? 203 SER B OG 1 ATOM 3164 N N . PRO B 2 206 ? 215.152 35.448 42.823 1.00 52.69 ? 204 PRO B N 1 ATOM 3165 C CA . PRO B 2 206 ? 214.066 36.391 42.527 1.00 45.79 ? 204 PRO B CA 1 ATOM 3166 C C . PRO B 2 206 ? 213.158 36.609 43.729 1.00 41.49 ? 204 PRO B C 1 ATOM 3167 O O . PRO B 2 206 ? 213.066 35.788 44.643 1.00 51.27 ? 204 PRO B O 1 ATOM 3168 C CB . PRO B 2 206 ? 213.315 35.721 41.370 1.00 47.92 ? 204 PRO B CB 1 ATOM 3169 C CG . PRO B 2 206 ? 214.332 34.867 40.721 1.00 59.03 ? 204 PRO B CG 1 ATOM 3170 C CD . PRO B 2 206 ? 215.183 34.345 41.847 1.00 52.36 ? 204 PRO B CD 1 ATOM 3171 N N . VAL B 2 207 ? 212.486 37.751 43.717 1.00 40.79 ? 205 VAL B N 1 ATOM 3172 C CA . VAL B 2 207 ? 211.687 38.222 44.837 1.00 47.69 ? 205 VAL B CA 1 ATOM 3173 C C . VAL B 2 207 ? 210.246 38.344 44.374 1.00 49.45 ? 205 VAL B C 1 ATOM 3174 O O . VAL B 2 207 ? 209.975 38.851 43.281 1.00 64.56 ? 205 VAL B O 1 ATOM 3175 C CB . VAL B 2 207 ? 212.213 39.571 45.370 1.00 48.76 ? 205 VAL B CB 1 ATOM 3176 C CG1 . VAL B 2 207 ? 211.286 40.139 46.434 1.00 44.86 ? 205 VAL B CG1 1 ATOM 3177 C CG2 . VAL B 2 207 ? 213.621 39.398 45.909 1.00 56.54 ? 205 VAL B CG2 1 ATOM 3178 N N . THR B 2 208 ? 209.326 37.863 45.198 1.00 54.74 ? 206 THR B N 1 ATOM 3179 C CA . THR B 2 208 ? 207.905 37.891 44.890 1.00 52.22 ? 206 THR B CA 1 ATOM 3180 C C . THR B 2 208 ? 207.191 38.653 45.991 1.00 51.20 ? 206 THR B C 1 ATOM 3181 O O . THR B 2 208 ? 207.307 38.302 47.170 1.00 56.23 ? 206 THR B O 1 ATOM 3182 C CB . THR B 2 208 ? 207.332 36.479 44.761 1.00 55.81 ? 206 THR B CB 1 ATOM 3183 O OG1 . THR B 2 208 ? 207.904 35.828 43.620 1.00 68.21 ? 206 THR B OG1 1 ATOM 3184 C CG2 . THR B 2 208 ? 205.819 36.539 44.599 1.00 68.52 ? 206 THR B CG2 1 ATOM 3185 N N . LYS B 2 209 ? 206.482 39.706 45.611 1.00 45.79 ? 207 LYS B N 1 ATOM 3186 C CA . LYS B 2 209 ? 205.539 40.377 46.487 1.00 48.08 ? 207 LYS B CA 1 ATOM 3187 C C . LYS B 2 209 ? 204.141 40.091 45.967 1.00 53.01 ? 207 LYS B C 1 ATOM 3188 O O . LYS B 2 209 ? 203.905 40.130 44.754 1.00 55.71 ? 207 LYS B O 1 ATOM 3189 C CB . LYS B 2 209 ? 205.798 41.879 46.541 1.00 42.04 ? 207 LYS B CB 1 ATOM 3190 C CG . LYS B 2 209 ? 207.138 42.236 47.128 1.00 49.12 ? 207 LYS B CG 1 ATOM 3191 C CD . LYS B 2 209 ? 207.191 41.908 48.600 1.00 62.21 ? 207 LYS B CD 1 ATOM 3192 C CE . LYS B 2 209 ? 208.552 42.249 49.183 1.00 70.78 ? 207 LYS B CE 1 ATOM 3193 N NZ . LYS B 2 209 ? 208.528 42.138 50.668 1.00 74.83 1 207 LYS B NZ 1 ATOM 3194 N N . SER B 2 210 ? 203.224 39.786 46.877 1.00 42.51 ? 208 SER B N 1 ATOM 3195 C CA . SER B 2 210 ? 201.900 39.362 46.469 1.00 43.54 ? 208 SER B CA 1 ATOM 3196 C C . SER B 2 210 ? 200.890 39.841 47.495 1.00 44.56 ? 208 SER B C 1 ATOM 3197 O O . SER B 2 210 ? 201.242 40.381 48.545 1.00 49.67 ? 208 SER B O 1 ATOM 3198 C CB . SER B 2 210 ? 201.832 37.842 46.298 1.00 40.31 ? 208 SER B CB 1 ATOM 3199 O OG . SER B 2 210 ? 202.127 37.185 47.519 1.00 50.49 ? 208 SER B OG 1 ATOM 3200 N N . PHE B 2 211 ? 199.618 39.646 47.166 1.00 43.60 ? 209 PHE B N 1 ATOM 3201 C CA . PHE B 2 211 ? 198.531 39.897 48.093 1.00 47.30 ? 209 PHE B CA 1 ATOM 3202 C C . PHE B 2 211 ? 197.366 39.015 47.680 1.00 48.12 ? 209 PHE B C 1 ATOM 3203 O O . PHE B 2 211 ? 197.269 38.584 46.526 1.00 49.08 ? 209 PHE B O 1 ATOM 3204 C CB . PHE B 2 211 ? 198.121 41.373 48.108 1.00 41.97 ? 209 PHE B CB 1 ATOM 3205 C CG . PHE B 2 211 ? 197.570 41.852 46.807 1.00 47.15 ? 209 PHE B CG 1 ATOM 3206 C CD1 . PHE B 2 211 ? 198.416 42.315 45.812 1.00 44.23 ? 209 PHE B CD1 1 ATOM 3207 C CD2 . PHE B 2 211 ? 196.208 41.830 46.569 1.00 40.95 ? 209 PHE B CD2 1 ATOM 3208 C CE1 . PHE B 2 211 ? 197.911 42.749 44.600 1.00 45.42 ? 209 PHE B CE1 1 ATOM 3209 C CE2 . PHE B 2 211 ? 195.695 42.262 45.357 1.00 46.34 ? 209 PHE B CE2 1 ATOM 3210 C CZ . PHE B 2 211 ? 196.548 42.726 44.371 1.00 46.89 ? 209 PHE B CZ 1 ATOM 3211 N N . ASN B 2 212 ? 196.503 38.726 48.646 1.00 50.31 ? 210 ASN B N 1 ATOM 3212 C CA . ASN B 2 212 ? 195.213 38.107 48.380 1.00 48.93 ? 210 ASN B CA 1 ATOM 3213 C C . ASN B 2 212 ? 194.185 39.225 48.284 1.00 57.52 ? 210 ASN B C 1 ATOM 3214 O O . ASN B 2 212 ? 194.072 40.042 49.204 1.00 60.92 ? 210 ASN B O 1 ATOM 3215 C CB . ASN B 2 212 ? 194.826 37.111 49.476 1.00 54.89 ? 210 ASN B CB 1 ATOM 3216 C CG . ASN B 2 212 ? 195.887 36.046 49.713 1.00 69.68 ? 210 ASN B CG 1 ATOM 3217 O OD1 . ASN B 2 212 ? 196.685 35.729 48.831 1.00 79.17 ? 210 ASN B OD1 1 ATOM 3218 N ND2 . ASN B 2 212 ? 195.897 35.487 50.916 1.00 77.67 ? 210 ASN B ND2 1 ATOM 3219 N N . ARG B 2 213 ? 193.466 39.284 47.164 1.00 56.71 ? 211 ARG B N 1 ATOM 3220 C CA . ARG B 2 213 ? 192.353 40.216 47.035 1.00 56.91 ? 211 ARG B CA 1 ATOM 3221 C C . ARG B 2 213 ? 191.395 40.046 48.210 1.00 67.24 ? 211 ARG B C 1 ATOM 3222 O O . ARG B 2 213 ? 190.902 38.944 48.467 1.00 73.55 ? 211 ARG B O 1 ATOM 3223 C CB . ARG B 2 213 ? 191.631 39.985 45.707 1.00 49.81 ? 211 ARG B CB 1 ATOM 3224 C CG . ARG B 2 213 ? 190.406 40.861 45.505 1.00 52.52 ? 211 ARG B CG 1 ATOM 3225 C CD . ARG B 2 213 ? 189.663 40.513 44.220 1.00 53.30 ? 211 ARG B CD 1 ATOM 3226 N NE . ARG B 2 213 ? 189.356 39.088 44.128 1.00 65.32 ? 211 ARG B NE 1 ATOM 3227 C CZ . ARG B 2 213 ? 188.368 38.487 44.786 1.00 71.95 ? 211 ARG B CZ 1 ATOM 3228 N NH1 . ARG B 2 213 ? 187.583 39.185 45.597 1.00 78.30 1 211 ARG B NH1 1 ATOM 3229 N NH2 . ARG B 2 213 ? 188.172 37.182 44.637 1.00 72.04 ? 211 ARG B NH2 1 ATOM 3230 N N . GLY B 2 214 ? 191.161 41.131 48.941 1.00 68.31 ? 212 GLY B N 1 ATOM 3231 C CA . GLY B 2 214 ? 190.358 41.084 50.152 1.00 68.97 ? 212 GLY B CA 1 ATOM 3232 C C . GLY B 2 214 ? 191.106 41.540 51.393 1.00 77.60 ? 212 GLY B C 1 ATOM 3233 O O . GLY B 2 214 ? 191.968 40.830 51.920 1.00 83.63 ? 212 GLY B O 1 ATOM 3234 N N . ASP C 3 1 ? 154.183 22.201 40.285 1.00 104.29 ? 1 ASP G N 1 ATOM 3235 C CA . ASP C 3 1 ? 153.229 21.610 41.220 1.00 107.57 ? 1 ASP G CA 1 ATOM 3236 C C . ASP C 3 1 ? 153.806 20.322 41.806 1.00 103.74 ? 1 ASP G C 1 ATOM 3237 O O . ASP C 3 1 ? 153.850 20.141 43.026 1.00 97.45 ? 1 ASP G O 1 ATOM 3238 C CB . ASP C 3 1 ? 151.890 21.338 40.521 1.00 112.28 ? 1 ASP G CB 1 ATOM 3239 C CG . ASP C 3 1 ? 150.742 21.122 41.499 1.00 120.93 ? 1 ASP G CG 1 ATOM 3240 O OD1 . ASP C 3 1 ? 150.994 20.636 42.624 1.00 113.46 ? 1 ASP G OD1 1 ATOM 3241 O OD2 . ASP C 3 1 ? 149.583 21.438 41.137 1.00 127.53 -1 1 ASP G OD2 1 ATOM 3242 N N . THR C 3 2 ? 154.264 19.437 40.923 1.00 98.17 ? 2 THR G N 1 ATOM 3243 C CA . THR C 3 2 ? 154.768 18.127 41.306 1.00 89.17 ? 2 THR G CA 1 ATOM 3244 C C . THR C 3 2 ? 155.989 17.785 40.459 1.00 83.40 ? 2 THR G C 1 ATOM 3245 O O . THR C 3 2 ? 156.022 18.071 39.259 1.00 83.36 ? 2 THR G O 1 ATOM 3246 C CB . THR C 3 2 ? 153.674 17.057 41.139 1.00 82.79 ? 2 THR G CB 1 ATOM 3247 O OG1 . THR C 3 2 ? 152.684 17.220 42.162 1.00 82.61 ? 2 THR G OG1 1 ATOM 3248 C CG2 . THR C 3 2 ? 154.253 15.656 41.218 1.00 79.56 ? 2 THR G CG2 1 ATOM 3249 N N . ILE C 3 3 ? 156.998 17.195 41.092 1.00 74.79 ? 3 ILE G N 1 ATOM 3250 C CA . ILE C 3 3 ? 158.179 16.691 40.399 1.00 74.02 ? 3 ILE G CA 1 ATOM 3251 C C . ILE C 3 3 ? 158.048 15.178 40.280 1.00 76.31 ? 3 ILE G C 1 ATOM 3252 O O . ILE C 3 3 ? 158.033 14.467 41.293 1.00 75.80 ? 3 ILE G O 1 ATOM 3253 C CB . ILE C 3 3 ? 159.470 17.075 41.136 1.00 71.17 ? 3 ILE G CB 1 ATOM 3254 C CG1 . ILE C 3 3 ? 159.517 18.582 41.377 1.00 72.81 ? 3 ILE G CG1 1 ATOM 3255 C CG2 . ILE C 3 3 ? 160.685 16.620 40.345 1.00 69.78 ? 3 ILE G CG2 1 ATOM 3256 C CD1 . ILE C 3 3 ? 160.833 19.064 41.950 1.00 68.87 ? 3 ILE G CD1 1 ATOM 3257 N N . THR C 3 4 ? 157.951 14.682 39.049 1.00 74.01 ? 4 THR G N 1 ATOM 3258 C CA . THR C 3 4 ? 157.769 13.259 38.783 1.00 80.00 ? 4 THR G CA 1 ATOM 3259 C C . THR C 3 4 ? 159.079 12.675 38.270 1.00 82.12 ? 4 THR G C 1 ATOM 3260 O O . THR C 3 4 ? 159.579 13.089 37.218 1.00 88.63 ? 4 THR G O 1 ATOM 3261 C CB . THR C 3 4 ? 156.645 13.025 37.772 1.00 83.22 ? 4 THR G CB 1 ATOM 3262 O OG1 . THR C 3 4 ? 157.022 13.569 36.502 1.00 100.94 ? 4 THR G OG1 1 ATOM 3263 C CG2 . THR C 3 4 ? 155.362 13.696 38.238 1.00 72.84 ? 4 THR G CG2 1 ATOM 3264 N N . LEU C 3 5 ? 159.629 11.713 39.012 1.00 79.77 ? 5 LEU G N 1 ATOM 3265 C CA . LEU C 3 5 ? 160.892 11.084 38.650 1.00 76.94 ? 5 LEU G CA 1 ATOM 3266 C C . LEU C 3 5 ? 160.629 9.776 37.927 1.00 71.48 ? 5 LEU G C 1 ATOM 3267 O O . LEU C 3 5 ? 159.938 8.907 38.478 1.00 69.62 ? 5 LEU G O 1 ATOM 3268 C CB . LEU C 3 5 ? 161.735 10.832 39.892 1.00 68.28 ? 5 LEU G CB 1 ATOM 3269 C CG . LEU C 3 5 ? 162.008 12.078 40.725 1.00 69.06 ? 5 LEU G CG 1 ATOM 3270 C CD1 . LEU C 3 5 ? 162.898 11.732 41.898 1.00 63.94 ? 5 LEU G CD1 1 ATOM 3271 C CD2 . LEU C 3 5 ? 162.641 13.144 39.852 1.00 72.05 ? 5 LEU G CD2 1 ATOM 3272 N N . PRO C 3 6 ? 161.151 9.582 36.719 1.00 61.18 ? 6 PRO G N 1 ATOM 3273 C CA . PRO C 3 6 ? 160.988 8.286 36.053 1.00 49.93 ? 6 PRO G CA 1 ATOM 3274 C C . PRO C 3 6 ? 161.842 7.224 36.725 1.00 55.50 ? 6 PRO G C 1 ATOM 3275 O O . PRO C 3 6 ? 163.003 7.462 37.073 1.00 52.75 ? 6 PRO G O 1 ATOM 3276 C CB . PRO C 3 6 ? 161.453 8.563 34.621 1.00 46.20 ? 6 PRO G CB 1 ATOM 3277 C CG . PRO C 3 6 ? 162.421 9.673 34.766 1.00 53.41 ? 6 PRO G CG 1 ATOM 3278 C CD . PRO C 3 6 ? 161.921 10.532 35.901 1.00 52.97 ? 6 PRO G CD 1 ATOM 3279 N N . CYS C 3 7 ? 161.248 6.044 36.909 1.00 51.48 ? 7 CYS G N 1 ATOM 3280 C CA . CYS C 3 7 ? 161.866 4.951 37.642 1.00 46.34 ? 7 CYS G CA 1 ATOM 3281 C C . CYS C 3 7 ? 161.738 3.659 36.854 1.00 52.34 ? 7 CYS G C 1 ATOM 3282 O O . CYS C 3 7 ? 160.677 3.365 36.296 1.00 60.96 ? 7 CYS G O 1 ATOM 3283 C CB . CYS C 3 7 ? 161.225 4.758 39.019 1.00 58.50 ? 7 CYS G CB 1 ATOM 3284 S SG . CYS C 3 7 ? 161.286 6.167 40.138 1.00 75.55 ? 7 CYS G SG 1 ATOM 3285 N N . ARG C 3 8 ? 162.817 2.883 36.830 1.00 50.13 ? 8 ARG G N 1 ATOM 3286 C CA . ARG C 3 8 ? 162.798 1.565 36.209 1.00 55.47 ? 8 ARG G CA 1 ATOM 3287 C C . ARG C 3 8 ? 163.438 0.538 37.138 1.00 59.11 ? 8 ARG G C 1 ATOM 3288 O O . ARG C 3 8 ? 164.570 0.721 37.579 1.00 69.92 ? 8 ARG G O 1 ATOM 3289 C CB . ARG C 3 8 ? 163.518 1.578 34.857 1.00 56.81 ? 8 ARG G CB 1 ATOM 3290 C CG . ARG C 3 8 ? 163.467 0.230 34.136 1.00 66.55 ? 8 ARG G CG 1 ATOM 3291 C CD . ARG C 3 8 ? 164.203 0.248 32.801 1.00 75.08 ? 8 ARG G CD 1 ATOM 3292 N NE . ARG C 3 8 ? 165.628 0.531 32.957 1.00 77.99 ? 8 ARG G NE 1 ATOM 3293 C CZ . ARG C 3 8 ? 166.490 0.593 31.947 1.00 73.24 ? 8 ARG G CZ 1 ATOM 3294 N NH1 . ARG C 3 8 ? 166.069 0.391 30.703 1.00 74.33 1 8 ARG G NH1 1 ATOM 3295 N NH2 . ARG C 3 8 ? 167.770 0.856 32.181 1.00 60.89 ? 8 ARG G NH2 1 ATOM 3296 N N . PRO C 3 9 ? 162.705 -0.539 37.456 1.00 60.53 ? 9 PRO G N 1 ATOM 3297 C CA . PRO C 3 9 ? 161.316 -0.777 37.037 1.00 58.58 ? 9 PRO G CA 1 ATOM 3298 C C . PRO C 3 9 ? 160.312 0.045 37.840 1.00 65.61 ? 9 PRO G C 1 ATOM 3299 O O . PRO C 3 9 ? 160.724 0.880 38.640 1.00 66.31 ? 9 PRO G O 1 ATOM 3300 C CB . PRO C 3 9 ? 161.129 -2.269 37.297 1.00 49.69 ? 9 PRO G CB 1 ATOM 3301 C CG . PRO C 3 9 ? 162.038 -2.554 38.438 1.00 59.85 ? 9 PRO G CG 1 ATOM 3302 C CD . PRO C 3 9 ? 163.243 -1.660 38.246 1.00 49.27 ? 9 PRO G CD 1 ATOM 3303 N N . ALA C 3 10 ? 159.024 -0.187 37.620 1.00 78.93 ? 10 ALA G N 1 ATOM 3304 C CA . ALA C 3 10 ? 157.979 0.584 38.295 1.00 78.73 ? 10 ALA G CA 1 ATOM 3305 C C . ALA C 3 10 ? 157.856 0.172 39.758 1.00 65.30 ? 10 ALA G C 1 ATOM 3306 O O . ALA C 3 10 ? 157.444 -0.961 40.039 1.00 67.66 ? 10 ALA G O 1 ATOM 3307 C CB . ALA C 3 10 ? 156.643 0.394 37.579 1.00 83.40 ? 10 ALA G CB 1 ATOM 3308 N N . PRO C 3 11 ? 158.180 1.044 40.709 1.00 51.55 ? 11 PRO G N 1 ATOM 3309 C CA . PRO C 3 11 ? 158.055 0.689 42.133 1.00 60.78 ? 11 PRO G CA 1 ATOM 3310 C C . PRO C 3 11 ? 156.600 0.567 42.553 1.00 74.53 ? 11 PRO G C 1 ATOM 3311 O O . PRO C 3 11 ? 155.762 1.400 42.171 1.00 74.93 ? 11 PRO G O 1 ATOM 3312 C CB . PRO C 3 11 ? 158.738 1.863 42.853 1.00 52.13 ? 11 PRO G CB 1 ATOM 3313 C CG . PRO C 3 11 ? 159.518 2.584 41.793 1.00 52.91 ? 11 PRO G CG 1 ATOM 3314 C CD . PRO C 3 11 ? 158.785 2.371 40.518 1.00 48.51 ? 11 PRO G CD 1 ATOM 3315 N N . PRO C 3 12 ? 156.265 -0.447 43.349 1.00 75.91 ? 12 PRO G N 1 ATOM 3316 C CA . PRO C 3 12 ? 154.890 -0.589 43.859 1.00 79.98 ? 12 PRO G CA 1 ATOM 3317 C C . PRO C 3 12 ? 154.539 0.521 44.834 1.00 75.42 ? 12 PRO G C 1 ATOM 3318 O O . PRO C 3 12 ? 155.432 1.148 45.426 1.00 72.24 ? 12 PRO G O 1 ATOM 3319 C CB . PRO C 3 12 ? 154.912 -1.957 44.563 1.00 78.06 ? 12 PRO G CB 1 ATOM 3320 C CG . PRO C 3 12 ? 156.078 -2.675 43.998 1.00 77.35 ? 12 PRO G CG 1 ATOM 3321 C CD . PRO C 3 12 ? 157.097 -1.617 43.676 1.00 78.51 ? 12 PRO G CD 1 ATOM 3322 N N . PRO C 3 13 ? 153.244 0.775 45.049 1.00 72.48 ? 13 PRO G N 1 ATOM 3323 C CA . PRO C 3 13 ? 152.846 1.888 45.933 1.00 72.55 ? 13 PRO G CA 1 ATOM 3324 C C . PRO C 3 13 ? 153.364 1.769 47.360 1.00 78.25 ? 13 PRO G C 1 ATOM 3325 O O . PRO C 3 13 ? 153.610 2.799 48.004 1.00 58.77 ? 13 PRO G O 1 ATOM 3326 C CB . PRO C 3 13 ? 151.309 1.835 45.888 1.00 72.74 ? 13 PRO G CB 1 ATOM 3327 C CG . PRO C 3 13 ? 150.984 1.113 44.611 1.00 65.89 ? 13 PRO G CG 1 ATOM 3328 C CD . PRO C 3 13 ? 152.080 0.107 44.436 1.00 71.94 ? 13 PRO G CD 1 ATOM 3329 N N . HIS C 3 14 ? 153.539 0.548 47.876 1.00 75.31 ? 14 HIS G N 1 ATOM 3330 C CA . HIS C 3 14 ? 154.036 0.368 49.236 1.00 80.13 ? 14 HIS G CA 1 ATOM 3331 C C . HIS C 3 14 ? 155.514 0.707 49.374 1.00 77.82 ? 14 HIS G C 1 ATOM 3332 O O . HIS C 3 14 ? 156.026 0.713 50.498 1.00 74.85 ? 14 HIS G O 1 ATOM 3333 C CB . HIS C 3 14 ? 153.788 -1.068 49.718 1.00 87.16 ? 14 HIS G CB 1 ATOM 3334 C CG . HIS C 3 14 ? 154.805 -2.061 49.242 1.00 97.20 ? 14 HIS G CG 1 ATOM 3335 N ND1 . HIS C 3 14 ? 154.731 -2.670 48.007 1.00 100.66 ? 14 HIS G ND1 1 ATOM 3336 C CD2 . HIS C 3 14 ? 155.910 -2.565 49.842 1.00 92.02 ? 14 HIS G CD2 1 ATOM 3337 C CE1 . HIS C 3 14 ? 155.751 -3.497 47.863 1.00 91.97 ? 14 HIS G CE1 1 ATOM 3338 N NE2 . HIS C 3 14 ? 156.480 -3.455 48.964 1.00 88.31 ? 14 HIS G NE2 1 ATOM 3339 N N . CYS C 3 15 ? 156.209 0.983 48.274 1.00 77.79 ? 15 CYS G N 1 ATOM 3340 C CA . CYS C 3 15 ? 157.597 1.419 48.344 1.00 82.26 ? 15 CYS G CA 1 ATOM 3341 C C . CYS C 3 15 ? 157.728 2.924 48.523 1.00 77.84 ? 15 CYS G C 1 ATOM 3342 O O . CYS C 3 15 ? 158.851 3.428 48.610 1.00 72.93 ? 15 CYS G O 1 ATOM 3343 C CB . CYS C 3 15 ? 158.359 0.967 47.096 1.00 88.33 ? 15 CYS G CB 1 ATOM 3344 S SG . CYS C 3 15 ? 158.629 -0.823 47.042 1.00 113.23 ? 15 CYS G SG 1 ATOM 3345 N N . SER C 3 16 ? 156.611 3.646 48.579 1.00 77.63 ? 16 SER G N 1 ATOM 3346 C CA . SER C 3 16 ? 156.647 5.053 48.943 1.00 63.29 ? 16 SER G CA 1 ATOM 3347 C C . SER C 3 16 ? 157.288 5.208 50.313 1.00 61.50 ? 16 SER G C 1 ATOM 3348 O O . SER C 3 16 ? 156.932 4.507 51.265 1.00 80.26 ? 16 SER G O 1 ATOM 3349 C CB . SER C 3 16 ? 155.234 5.632 48.951 1.00 67.04 ? 16 SER G CB 1 ATOM 3350 O OG . SER C 3 16 ? 154.513 5.204 47.811 1.00 78.43 ? 16 SER G OG 1 ATOM 3351 N N . SER C 3 17 ? 158.238 6.126 50.411 1.00 59.66 ? 17 SER G N 1 ATOM 3352 C CA . SER C 3 17 ? 158.996 6.325 51.633 1.00 71.03 ? 17 SER G CA 1 ATOM 3353 C C . SER C 3 17 ? 159.058 7.812 51.947 1.00 65.06 ? 17 SER G C 1 ATOM 3354 O O . SER C 3 17 ? 158.444 8.642 51.271 1.00 65.38 ? 17 SER G O 1 ATOM 3355 C CB . SER C 3 17 ? 160.407 5.737 51.508 1.00 69.82 ? 17 SER G CB 1 ATOM 3356 O OG . SER C 3 17 ? 160.648 5.310 50.181 1.00 68.50 ? 17 SER G OG 1 ATOM 3357 N N . ASN C 3 18 ? 159.802 8.140 52.998 1.00 65.68 ? 18 ASN G N 1 ATOM 3358 C CA . ASN C 3 18 ? 160.086 9.517 53.369 1.00 60.51 ? 18 ASN G CA 1 ATOM 3359 C C . ASN C 3 18 ? 161.556 9.798 53.113 1.00 58.74 ? 18 ASN G C 1 ATOM 3360 O O . ASN C 3 18 ? 162.423 9.003 53.495 1.00 56.22 ? 18 ASN G O 1 ATOM 3361 C CB . ASN C 3 18 ? 159.745 9.783 54.837 1.00 55.47 ? 18 ASN G CB 1 ATOM 3362 C CG . ASN C 3 18 ? 158.257 9.948 55.072 1.00 62.58 ? 18 ASN G CG 1 ATOM 3363 N ND2 . ASN C 3 18 ? 157.837 9.640 56.290 1.00 76.04 ? 18 ASN G ND2 1 ATOM 3364 N N . ILE C 3 19 ? 161.833 10.911 52.445 1.00 56.50 ? 19 ILE G N 1 ATOM 3365 C CA . ILE C 3 19 ? 163.206 11.368 52.289 1.00 43.07 ? 19 ILE G CA 1 ATOM 3366 C C . ILE C 3 19 ? 163.614 12.061 53.581 1.00 56.73 ? 19 ILE G C 1 ATOM 3367 O O . ILE C 3 19 ? 163.010 13.062 53.979 1.00 59.45 ? 19 ILE G O 1 ATOM 3368 C CB . ILE C 3 19 ? 163.351 12.301 51.082 1.00 40.84 ? 19 ILE G CB 1 ATOM 3369 C CG1 . ILE C 3 19 ? 163.014 11.548 49.798 1.00 44.50 ? 19 ILE G CG1 1 ATOM 3370 C CG2 . ILE C 3 19 ? 164.764 12.855 51.000 1.00 42.65 ? 19 ILE G CG2 1 ATOM 3371 C CD1 . ILE C 3 19 ? 162.810 12.464 48.619 1.00 49.72 ? 19 ILE G CD1 1 ATOM 3372 N N . THR C 3 20 ? 164.622 11.507 54.253 1.00 58.14 ? 20 THR G N 1 ATOM 3373 C CA . THR C 3 20 ? 165.124 12.059 55.499 1.00 57.93 ? 20 THR G CA 1 ATOM 3374 C C . THR C 3 20 ? 166.481 12.728 55.353 1.00 51.41 ? 20 THR G C 1 ATOM 3375 O O . THR C 3 20 ? 166.912 13.429 56.273 1.00 54.13 ? 20 THR G O 1 ATOM 3376 C CB . THR C 3 20 ? 165.208 10.957 56.563 1.00 58.21 ? 20 THR G CB 1 ATOM 3377 O OG1 . THR C 3 20 ? 166.031 9.891 56.076 1.00 59.74 ? 20 THR G OG1 1 ATOM 3378 C CG2 . THR C 3 20 ? 163.816 10.419 56.868 1.00 49.86 ? 20 THR G CG2 1 ATOM 3379 N N . GLY C 3 21 ? 167.160 12.542 54.231 1.00 50.90 ? 21 GLY G N 1 ATOM 3380 C CA . GLY C 3 21 ? 168.431 13.206 54.030 1.00 45.72 ? 21 GLY G CA 1 ATOM 3381 C C . GLY C 3 21 ? 168.967 12.909 52.651 1.00 50.18 ? 21 GLY G C 1 ATOM 3382 O O . GLY C 3 21 ? 168.365 12.164 51.868 1.00 49.68 ? 21 GLY G O 1 ATOM 3383 N N . LEU C 3 22 ? 170.119 13.508 52.361 1.00 44.86 ? 22 LEU G N 1 ATOM 3384 C CA . LEU C 3 22 ? 170.812 13.246 51.112 1.00 45.18 ? 22 LEU G CA 1 ATOM 3385 C C . LEU C 3 22 ? 172.303 13.433 51.324 1.00 49.36 ? 22 LEU G C 1 ATOM 3386 O O . LEU C 3 22 ? 172.754 13.871 52.388 1.00 47.90 ? 22 LEU G O 1 ATOM 3387 C CB . LEU C 3 22 ? 170.288 14.135 49.980 1.00 51.11 ? 22 LEU G CB 1 ATOM 3388 C CG . LEU C 3 22 ? 169.795 15.547 50.279 1.00 58.39 ? 22 LEU G CG 1 ATOM 3389 C CD1 . LEU C 3 22 ? 170.960 16.479 50.452 1.00 72.50 ? 22 LEU G CD1 1 ATOM 3390 C CD2 . LEU C 3 22 ? 168.915 16.029 49.147 1.00 52.57 ? 22 LEU G CD2 1 ATOM 3391 N N . ILE C 3 23 ? 173.067 13.085 50.291 1.00 38.20 ? 23 ILE G N 1 ATOM 3392 C CA . ILE C 3 23 ? 174.521 13.089 50.350 1.00 42.33 ? 23 ILE G CA 1 ATOM 3393 C C . ILE C 3 23 ? 175.049 13.717 49.068 1.00 47.23 ? 23 ILE G C 1 ATOM 3394 O O . ILE C 3 23 ? 174.671 13.304 47.965 1.00 35.45 ? 23 ILE G O 1 ATOM 3395 C CB . ILE C 3 23 ? 175.088 11.670 50.565 1.00 42.46 ? 23 ILE G CB 1 ATOM 3396 C CG1 . ILE C 3 23 ? 176.611 11.712 50.661 1.00 38.21 ? 23 ILE G CG1 1 ATOM 3397 C CG2 . ILE C 3 23 ? 174.628 10.708 49.479 1.00 51.41 ? 23 ILE G CG2 1 ATOM 3398 C CD1 . ILE C 3 23 ? 177.210 10.404 51.098 1.00 45.49 ? 23 ILE G CD1 1 ATOM 3399 N N . LEU C 3 24 ? 175.914 14.724 49.217 1.00 41.08 ? 24 LEU G N 1 ATOM 3400 C CA . LEU C 3 24 ? 176.337 15.578 48.117 1.00 35.39 ? 24 LEU G CA 1 ATOM 3401 C C . LEU C 3 24 ? 177.853 15.594 47.987 1.00 48.77 ? 24 LEU G C 1 ATOM 3402 O O . LEU C 3 24 ? 178.588 15.390 48.956 1.00 49.52 ? 24 LEU G O 1 ATOM 3403 C CB . LEU C 3 24 ? 175.855 17.020 48.309 1.00 40.32 ? 24 LEU G CB 1 ATOM 3404 C CG . LEU C 3 24 ? 174.373 17.263 48.544 1.00 42.38 ? 24 LEU G CG 1 ATOM 3405 C CD1 . LEU C 3 24 ? 174.179 18.677 49.064 1.00 43.88 ? 24 LEU G CD1 1 ATOM 3406 C CD2 . LEU C 3 24 ? 173.621 17.061 47.252 1.00 37.03 ? 24 LEU G CD2 1 ATOM 3407 N N . THR C 3 25 ? 178.304 15.873 46.766 1.00 51.36 ? 25 THR G N 1 ATOM 3408 C CA . THR C 3 25 ? 179.704 16.130 46.450 1.00 50.19 ? 25 THR G CA 1 ATOM 3409 C C . THR C 3 25 ? 179.845 17.595 46.055 1.00 47.48 ? 25 THR G C 1 ATOM 3410 O O . THR C 3 25 ? 179.034 18.102 45.274 1.00 43.44 ? 25 THR G O 1 ATOM 3411 C CB . THR C 3 25 ? 180.189 15.220 45.310 1.00 46.77 ? 25 THR G CB 1 ATOM 3412 O OG1 . THR C 3 25 ? 180.379 13.886 45.796 1.00 45.87 ? 25 THR G OG1 1 ATOM 3413 C CG2 . THR C 3 25 ? 181.503 15.719 44.716 1.00 51.13 ? 25 THR G CG2 1 ATOM 3414 N N . ARG C 3 26 ? 180.858 18.277 46.599 1.00 49.93 ? 26 ARG G N 1 ATOM 3415 C CA . ARG C 3 26 ? 181.131 19.667 46.236 1.00 37.59 ? 26 ARG G CA 1 ATOM 3416 C C . ARG C 3 26 ? 182.042 19.712 45.015 1.00 40.44 ? 26 ARG G C 1 ATOM 3417 O O . ARG C 3 26 ? 183.104 19.083 45.005 1.00 47.94 ? 26 ARG G O 1 ATOM 3418 C CB . ARG C 3 26 ? 181.782 20.425 47.392 1.00 36.60 ? 26 ARG G CB 1 ATOM 3419 C CG . ARG C 3 26 ? 182.145 21.862 47.034 1.00 44.08 ? 26 ARG G CG 1 ATOM 3420 C CD . ARG C 3 26 ? 182.604 22.642 48.248 1.00 49.21 ? 26 ARG G CD 1 ATOM 3421 N NE . ARG C 3 26 ? 183.767 22.021 48.877 1.00 45.42 ? 26 ARG G NE 1 ATOM 3422 C CZ . ARG C 3 26 ? 185.025 22.300 48.557 1.00 48.36 ? 26 ARG G CZ 1 ATOM 3423 N NH1 . ARG C 3 26 ? 185.284 23.191 47.611 1.00 62.09 1 26 ARG G NH1 1 ATOM 3424 N NH2 . ARG C 3 26 ? 186.025 21.683 49.180 1.00 55.36 ? 26 ARG G NH2 1 ATOM 3425 N N . GLN C 3 27 ? 181.636 20.465 43.996 1.00 44.87 ? 27 GLN G N 1 ATOM 3426 C CA . GLN C 3 27 ? 182.430 20.541 42.778 1.00 48.73 ? 27 GLN G CA 1 ATOM 3427 C C . GLN C 3 27 ? 183.672 21.383 43.005 1.00 51.92 ? 27 GLN G C 1 ATOM 3428 O O . GLN C 3 27 ? 183.587 22.506 43.506 1.00 51.46 ? 27 GLN G O 1 ATOM 3429 C CB . GLN C 3 27 ? 181.620 21.128 41.627 1.00 49.26 ? 27 GLN G CB 1 ATOM 3430 C CG . GLN C 3 27 ? 182.452 21.299 40.367 1.00 41.71 ? 27 GLN G CG 1 ATOM 3431 C CD . GLN C 3 27 ? 181.735 20.835 39.115 1.00 45.77 ? 27 GLN G CD 1 ATOM 3432 O OE1 . GLN C 3 27 ? 180.506 20.782 39.069 1.00 57.03 ? 27 GLN G OE1 1 ATOM 3433 N NE2 . GLN C 3 27 ? 182.504 20.489 38.093 1.00 41.43 ? 27 GLN G NE2 1 ATOM 3434 N N . GLY C 3 28 ? 184.827 20.836 42.625 1.00 69.44 ? 28 GLY G N 1 ATOM 3435 C CA . GLY C 3 28 ? 186.065 21.579 42.721 1.00 79.75 ? 28 GLY G CA 1 ATOM 3436 C C . GLY C 3 28 ? 186.315 22.427 41.488 1.00 83.39 ? 28 GLY G C 1 ATOM 3437 O O . GLY C 3 28 ? 185.836 22.142 40.393 1.00 72.95 ? 28 GLY G O 1 ATOM 3438 N N . GLY C 3 29 ? 187.075 23.490 41.675 1.00 91.98 ? 29 GLY G N 1 ATOM 3439 C CA . GLY C 3 29 ? 187.354 24.380 40.571 1.00 95.89 ? 29 GLY G CA 1 ATOM 3440 C C . GLY C 3 29 ? 187.755 25.747 41.055 1.00 106.89 ? 29 GLY G C 1 ATOM 3441 O O . GLY C 3 29 ? 187.453 26.161 42.176 1.00 107.35 ? 29 GLY G O 1 ATOM 3442 N N . TYR C 3 30 ? 188.443 26.469 40.171 1.00 125.18 ? 30 TYR G N 1 ATOM 3443 C CA . TYR C 3 30 ? 189.023 27.770 40.497 1.00 139.70 ? 30 TYR G CA 1 ATOM 3444 C C . TYR C 3 30 ? 187.951 28.865 40.494 1.00 153.92 ? 30 TYR G C 1 ATOM 3445 O O . TYR C 3 30 ? 188.030 29.860 39.773 1.00 162.04 ? 30 TYR G O 1 ATOM 3446 C CB . TYR C 3 30 ? 190.149 28.089 39.524 1.00 139.69 ? 30 TYR G CB 1 ATOM 3447 C CG . TYR C 3 30 ? 191.531 27.755 40.042 1.00 138.71 ? 30 TYR G CG 1 ATOM 3448 C CD1 . TYR C 3 30 ? 192.601 28.614 39.815 1.00 141.83 ? 30 TYR G CD1 1 ATOM 3449 C CD2 . TYR C 3 30 ? 191.766 26.590 40.766 1.00 133.42 ? 30 TYR G CD2 1 ATOM 3450 C CE1 . TYR C 3 30 ? 193.867 28.322 40.284 1.00 144.97 ? 30 TYR G CE1 1 ATOM 3451 C CE2 . TYR C 3 30 ? 193.033 26.289 41.244 1.00 139.07 ? 30 TYR G CE2 1 ATOM 3452 C CZ . TYR C 3 30 ? 194.080 27.161 40.997 1.00 144.00 ? 30 TYR G CZ 1 ATOM 3453 O OH . TYR C 3 30 ? 195.343 26.877 41.464 1.00 144.83 ? 30 TYR G OH 1 ATOM 3454 N N . SER C 3 31 ? 186.933 28.654 41.333 1.00 153.53 ? 31 SER G N 1 ATOM 3455 C CA . SER C 3 31 ? 185.866 29.625 41.557 1.00 151.15 ? 31 SER G CA 1 ATOM 3456 C C . SER C 3 31 ? 185.094 29.937 40.279 1.00 150.37 ? 31 SER G C 1 ATOM 3457 O O . SER C 3 31 ? 184.292 29.112 39.826 1.00 144.23 ? 31 SER G O 1 ATOM 3458 C CB . SER C 3 31 ? 186.434 30.917 42.157 1.00 147.43 ? 31 SER G CB 1 ATOM 3459 O OG . SER C 3 31 ? 187.199 30.654 43.321 1.00 140.91 ? 31 SER G OG 1 ATOM 3460 N N . ASN C 3 32 ? 185.383 31.115 39.695 1.00 147.31 ? 32 ASN G N 1 ATOM 3461 C CA . ASN C 3 32 ? 184.649 31.838 38.648 1.00 135.67 ? 32 ASN G CA 1 ATOM 3462 C C . ASN C 3 32 ? 183.802 32.920 39.309 1.00 130.06 ? 32 ASN G C 1 ATOM 3463 O O . ASN C 3 32 ? 184.340 33.916 39.805 1.00 119.25 ? 32 ASN G O 1 ATOM 3464 C CB . ASN C 3 32 ? 183.770 30.932 37.777 1.00 126.83 ? 32 ASN G CB 1 ATOM 3465 N N . ALA C 3 33 ? 182.483 32.743 39.314 1.00 133.63 ? 33 ALA G N 1 ATOM 3466 C CA . ALA C 3 33 ? 181.641 33.563 40.169 1.00 131.23 ? 33 ALA G CA 1 ATOM 3467 C C . ALA C 3 33 ? 181.756 33.079 41.612 1.00 129.22 ? 33 ALA G C 1 ATOM 3468 O O . ALA C 3 33 ? 182.197 31.958 41.884 1.00 130.55 ? 33 ALA G O 1 ATOM 3469 C CB . ALA C 3 33 ? 180.186 33.518 39.703 1.00 124.99 ? 33 ALA G CB 1 ATOM 3470 N N . ASN C 3 34 ? 181.359 33.940 42.550 1.00 122.37 ? 34 ASN G N 1 ATOM 3471 C CA . ASN C 3 34 ? 181.437 33.601 43.972 1.00 111.20 ? 34 ASN G CA 1 ATOM 3472 C C . ASN C 3 34 ? 180.305 32.642 44.356 1.00 106.16 ? 34 ASN G C 1 ATOM 3473 O O . ASN C 3 34 ? 179.451 32.921 45.199 1.00 105.93 ? 34 ASN G O 1 ATOM 3474 C CB . ASN C 3 34 ? 181.413 34.863 44.823 1.00 105.57 ? 34 ASN G CB 1 ATOM 3475 C CG . ASN C 3 34 ? 181.699 34.579 46.283 1.00 104.87 ? 34 ASN G CG 1 ATOM 3476 O OD1 . ASN C 3 34 ? 182.051 33.454 46.653 1.00 98.94 ? 34 ASN G OD1 1 ATOM 3477 N ND2 . ASN C 3 34 ? 181.554 35.600 47.124 1.00 105.00 ? 34 ASN G ND2 1 ATOM 3478 N N . THR C 3 35 ? 180.318 31.478 43.710 1.00 96.51 ? 35 THR G N 1 ATOM 3479 C CA . THR C 3 35 ? 179.301 30.459 43.902 1.00 89.61 ? 35 THR G CA 1 ATOM 3480 C C . THR C 3 35 ? 179.970 29.140 44.267 1.00 76.15 ? 35 THR G C 1 ATOM 3481 O O . THR C 3 35 ? 181.156 28.926 44.005 1.00 77.05 ? 35 THR G O 1 ATOM 3482 C CB . THR C 3 35 ? 178.433 30.286 42.642 1.00 92.75 ? 35 THR G CB 1 ATOM 3483 O OG1 . THR C 3 35 ? 179.156 29.539 41.658 1.00 101.59 ? 35 THR G OG1 1 ATOM 3484 C CG2 . THR C 3 35 ? 178.073 31.640 42.048 1.00 90.50 ? 35 THR G CG2 1 ATOM 3485 N N . VAL C 3 36 ? 179.197 28.255 44.894 1.00 63.36 ? 36 VAL G N 1 ATOM 3486 C CA . VAL C 3 36 ? 179.636 26.900 45.197 1.00 57.22 ? 36 VAL G CA 1 ATOM 3487 C C . VAL C 3 36 ? 178.597 25.933 44.650 1.00 62.01 ? 36 VAL G C 1 ATOM 3488 O O . VAL C 3 36 ? 177.398 26.097 44.899 1.00 70.62 ? 36 VAL G O 1 ATOM 3489 C CB . VAL C 3 36 ? 179.841 26.677 46.708 1.00 61.72 ? 36 VAL G CB 1 ATOM 3490 C CG1 . VAL C 3 36 ? 180.385 25.282 46.960 1.00 52.99 ? 36 VAL G CG1 1 ATOM 3491 C CG2 . VAL C 3 36 ? 180.783 27.721 47.276 1.00 62.83 ? 36 VAL G CG2 1 ATOM 3492 N N . ILE C 3 37 ? 179.059 24.927 43.914 1.00 61.86 ? 37 ILE G N 1 ATOM 3493 C CA . ILE C 3 37 ? 178.201 23.975 43.217 1.00 60.02 ? 37 ILE G CA 1 ATOM 3494 C C . ILE C 3 37 ? 178.168 22.664 43.990 1.00 57.57 ? 37 ILE G C 1 ATOM 3495 O O . ILE C 3 37 ? 179.202 22.191 44.479 1.00 53.54 ? 37 ILE G O 1 ATOM 3496 C CB . ILE C 3 37 ? 178.700 23.747 41.776 1.00 55.20 ? 37 ILE G CB 1 ATOM 3497 C CG1 . ILE C 3 37 ? 178.767 25.071 41.015 1.00 55.18 ? 37 ILE G CG1 1 ATOM 3498 C CG2 . ILE C 3 37 ? 177.818 22.742 41.044 1.00 48.27 ? 37 ILE G CG2 1 ATOM 3499 C CD1 . ILE C 3 37 ? 179.101 24.899 39.553 1.00 64.21 ? 37 ILE G CD1 1 ATOM 3500 N N . PHE C 3 38 ? 176.984 22.064 44.091 1.00 58.89 ? 38 PHE G N 1 ATOM 3501 C CA . PHE C 3 38 ? 176.837 20.742 44.682 1.00 48.86 ? 38 PHE G CA 1 ATOM 3502 C C . PHE C 3 38 ? 176.046 19.837 43.749 1.00 47.95 ? 38 PHE G C 1 ATOM 3503 O O . PHE C 3 38 ? 175.153 20.283 43.021 1.00 48.34 ? 38 PHE G O 1 ATOM 3504 C CB . PHE C 3 38 ? 176.168 20.816 46.062 1.00 41.07 ? 38 PHE G CB 1 ATOM 3505 C CG . PHE C 3 38 ? 176.977 21.580 47.063 1.00 42.27 ? 38 PHE G CG 1 ATOM 3506 C CD1 . PHE C 3 38 ? 177.950 20.945 47.813 1.00 41.48 ? 38 PHE G CD1 1 ATOM 3507 C CD2 . PHE C 3 38 ? 176.804 22.944 47.212 1.00 41.04 ? 38 PHE G CD2 1 ATOM 3508 C CE1 . PHE C 3 38 ? 178.715 21.653 48.715 1.00 48.20 ? 38 PHE G CE1 1 ATOM 3509 C CE2 . PHE C 3 38 ? 177.563 23.655 48.112 1.00 49.19 ? 38 PHE G CE2 1 ATOM 3510 C CZ . PHE C 3 38 ? 178.522 23.010 48.867 1.00 47.27 ? 38 PHE G CZ 1 ATOM 3511 N N . ARG C 3 39 ? 176.407 18.563 43.765 1.00 38.18 ? 39 ARG G N 1 ATOM 3512 C CA . ARG C 3 39 ? 175.768 17.518 42.986 1.00 42.37 ? 39 ARG G CA 1 ATOM 3513 C C . ARG C 3 39 ? 175.562 16.339 43.908 1.00 46.32 ? 39 ARG G C 1 ATOM 3514 O O . ARG C 3 39 ? 176.234 16.232 44.948 1.00 40.33 ? 39 ARG G O 1 ATOM 3515 C CB . ARG C 3 39 ? 176.626 17.104 41.782 1.00 41.81 ? 39 ARG G CB 1 ATOM 3516 C CG . ARG C 3 39 ? 177.063 18.239 40.859 1.00 45.70 ? 39 ARG G CG 1 ATOM 3517 C CD . ARG C 3 39 ? 177.963 17.681 39.745 1.00 37.21 ? 39 ARG G CD 1 ATOM 3518 N NE . ARG C 3 39 ? 178.507 18.710 38.864 1.00 36.63 ? 39 ARG G NE 1 ATOM 3519 C CZ . ARG C 3 39 ? 177.952 19.081 37.720 1.00 42.24 ? 39 ARG G CZ 1 ATOM 3520 N NH1 . ARG C 3 39 ? 176.821 18.518 37.316 1.00 49.72 1 39 ARG G NH1 1 ATOM 3521 N NH2 . ARG C 3 39 ? 178.525 20.023 36.985 1.00 43.00 ? 39 ARG G NH2 1 ATOM 3522 N N . PRO C 3 40 ? 174.630 15.433 43.590 1.00 45.75 ? 40 PRO G N 1 ATOM 3523 C CA . PRO C 3 40 ? 174.517 14.193 44.361 1.00 48.72 ? 40 PRO G CA 1 ATOM 3524 C C . PRO C 3 40 ? 175.846 13.453 44.341 1.00 43.92 ? 40 PRO G C 1 ATOM 3525 O O . PRO C 3 40 ? 176.602 13.534 43.372 1.00 52.13 ? 40 PRO G O 1 ATOM 3526 C CB . PRO C 3 40 ? 173.408 13.410 43.642 1.00 47.80 ? 40 PRO G CB 1 ATOM 3527 C CG . PRO C 3 40 ? 173.210 14.098 42.330 1.00 48.82 ? 40 PRO G CG 1 ATOM 3528 C CD . PRO C 3 40 ? 173.582 15.532 42.556 1.00 48.55 ? 40 PRO G CD 1 ATOM 3529 N N . SER C 3 41 ? 176.124 12.728 45.426 1.00 45.34 ? 41 SER G N 1 ATOM 3530 C CA . SER C 3 41 ? 177.486 12.285 45.715 1.00 43.83 ? 41 SER G CA 1 ATOM 3531 C C . SER C 3 41 ? 178.093 11.503 44.562 1.00 37.02 ? 41 SER G C 1 ATOM 3532 O O . SER C 3 41 ? 177.457 10.616 43.988 1.00 44.38 ? 41 SER G O 1 ATOM 3533 C CB . SER C 3 41 ? 177.511 11.425 46.979 1.00 51.08 ? 41 SER G CB 1 ATOM 3534 O OG . SER C 3 41 ? 178.834 10.970 47.238 1.00 56.04 ? 41 SER G OG 1 ATOM 3535 N N . GLY C 3 42 ? 179.339 11.832 44.234 1.00 43.23 ? 42 GLY G N 1 ATOM 3536 C CA . GLY C 3 42 ? 180.137 11.058 43.310 1.00 38.50 ? 42 GLY G CA 1 ATOM 3537 C C . GLY C 3 42 ? 180.916 9.935 43.960 1.00 47.39 ? 42 GLY G C 1 ATOM 3538 O O . GLY C 3 42 ? 181.775 9.330 43.310 1.00 48.60 ? 42 GLY G O 1 ATOM 3539 N N . GLY C 3 43 ? 180.660 9.648 45.235 1.00 36.65 ? 43 GLY G N 1 ATOM 3540 C CA . GLY C 3 43 ? 181.314 8.563 45.939 1.00 33.39 ? 43 GLY G CA 1 ATOM 3541 C C . GLY C 3 43 ? 180.600 7.243 45.738 1.00 48.37 ? 43 GLY G C 1 ATOM 3542 O O . GLY C 3 43 ? 179.920 7.018 44.733 1.00 52.36 ? 43 GLY G O 1 ATOM 3543 N N . ASP C 3 44 ? 180.750 6.361 46.726 1.00 43.54 ? 44 ASP G N 1 ATOM 3544 C CA . ASP C 3 44 ? 180.184 5.017 46.654 1.00 43.81 ? 44 ASP G CA 1 ATOM 3545 C C . ASP C 3 44 ? 179.488 4.641 47.962 1.00 45.43 ? 44 ASP G C 1 ATOM 3546 O O . ASP C 3 44 ? 178.950 5.509 48.654 1.00 35.58 ? 44 ASP G O 1 ATOM 3547 C CB . ASP C 3 44 ? 181.273 3.995 46.306 1.00 52.06 ? 44 ASP G CB 1 ATOM 3548 C CG . ASP C 3 44 ? 182.509 4.119 47.191 1.00 63.51 ? 44 ASP G CG 1 ATOM 3549 O OD1 . ASP C 3 44 ? 182.450 4.841 48.213 1.00 60.06 ? 44 ASP G OD1 1 ATOM 3550 O OD2 . ASP C 3 44 ? 183.539 3.481 46.868 1.00 72.33 -1 44 ASP G OD2 1 ATOM 3551 N N . TRP C 3 45 ? 179.505 3.355 48.321 1.00 46.75 ? 45 TRP G N 1 ATOM 3552 C CA . TRP C 3 45 ? 178.806 2.924 49.526 1.00 50.77 ? 45 TRP G CA 1 ATOM 3553 C C . TRP C 3 45 ? 179.530 3.331 50.796 1.00 57.17 ? 45 TRP G C 1 ATOM 3554 O O . TRP C 3 45 ? 178.891 3.418 51.854 1.00 43.74 ? 45 TRP G O 1 ATOM 3555 C CB . TRP C 3 45 ? 178.602 1.410 49.523 1.00 44.80 ? 45 TRP G CB 1 ATOM 3556 C CG . TRP C 3 45 ? 177.645 0.913 48.492 1.00 44.80 ? 45 TRP G CG 1 ATOM 3557 C CD1 . TRP C 3 45 ? 177.916 0.048 47.470 1.00 39.91 ? 45 TRP G CD1 1 ATOM 3558 C CD2 . TRP C 3 45 ? 176.253 1.231 48.394 1.00 44.47 ? 45 TRP G CD2 1 ATOM 3559 N NE1 . TRP C 3 45 ? 176.775 -0.194 46.742 1.00 41.50 ? 45 TRP G NE1 1 ATOM 3560 C CE2 . TRP C 3 45 ? 175.741 0.520 47.288 1.00 41.20 ? 45 TRP G CE2 1 ATOM 3561 C CE3 . TRP C 3 45 ? 175.387 2.042 49.140 1.00 42.29 ? 45 TRP G CE3 1 ATOM 3562 C CZ2 . TRP C 3 45 ? 174.406 0.608 46.897 1.00 39.28 ? 45 TRP G CZ2 1 ATOM 3563 C CZ3 . TRP C 3 45 ? 174.058 2.127 48.755 1.00 41.35 ? 45 TRP G CZ3 1 ATOM 3564 C CH2 . TRP C 3 45 ? 173.581 1.410 47.642 1.00 52.47 ? 45 TRP G CH2 1 ATOM 3565 N N . ARG C 3 46 ? 180.841 3.571 50.712 1.00 43.44 ? 46 ARG G N 1 ATOM 3566 C CA . ARG C 3 46 ? 181.590 4.057 51.868 1.00 40.17 ? 46 ARG G CA 1 ATOM 3567 C C . ARG C 3 46 ? 181.085 5.429 52.307 1.00 40.22 ? 46 ARG G C 1 ATOM 3568 O O . ARG C 3 46 ? 180.835 5.654 53.497 1.00 46.24 ? 46 ARG G O 1 ATOM 3569 C CB . ARG C 3 46 ? 183.094 4.093 51.553 1.00 46.53 ? 46 ARG G CB 1 ATOM 3570 C CG . ARG C 3 46 ? 184.018 4.375 52.753 1.00 57.16 ? 46 ARG G CG 1 ATOM 3571 C CD . ARG C 3 46 ? 185.456 4.779 52.331 1.00 84.62 ? 46 ARG G CD 1 ATOM 3572 N NE . ARG C 3 46 ? 186.294 3.665 51.864 1.00 105.00 ? 46 ARG G NE 1 ATOM 3573 C CZ . ARG C 3 46 ? 186.654 3.457 50.594 1.00 99.15 ? 46 ARG G CZ 1 ATOM 3574 N NH1 . ARG C 3 46 ? 186.251 4.283 49.637 1.00 99.91 1 46 ARG G NH1 1 ATOM 3575 N NH2 . ARG C 3 46 ? 187.419 2.419 50.278 1.00 88.59 ? 46 ARG G NH2 1 ATOM 3576 N N . ASP C 3 47 ? 180.908 6.358 51.361 1.00 43.91 ? 47 ASP G N 1 ATOM 3577 C CA . ASP C 3 47 ? 180.368 7.671 51.718 1.00 39.10 ? 47 ASP G CA 1 ATOM 3578 C C . ASP C 3 47 ? 179.009 7.533 52.386 1.00 45.07 ? 47 ASP G C 1 ATOM 3579 O O . ASP C 3 47 ? 178.737 8.172 53.408 1.00 46.44 ? 47 ASP G O 1 ATOM 3580 C CB . ASP C 3 47 ? 180.242 8.578 50.489 1.00 42.93 ? 47 ASP G CB 1 ATOM 3581 C CG . ASP C 3 47 ? 181.543 8.733 49.729 1.00 70.99 ? 47 ASP G CG 1 ATOM 3582 O OD1 . ASP C 3 47 ? 181.918 7.766 49.025 1.00 71.30 ? 47 ASP G OD1 1 ATOM 3583 O OD2 . ASP C 3 47 ? 182.171 9.820 49.811 1.00 78.23 -1 47 ASP G OD2 1 ATOM 3584 N N . ILE C 3 48 ? 178.141 6.696 51.817 1.00 43.81 ? 48 ILE G N 1 ATOM 3585 C CA . ILE C 3 48 ? 176.781 6.581 52.333 1.00 45.45 ? 48 ILE G CA 1 ATOM 3586 C C . ILE C 3 48 ? 176.791 6.018 53.747 1.00 50.73 ? 48 ILE G C 1 ATOM 3587 O O . ILE C 3 48 ? 176.141 6.564 54.645 1.00 60.30 ? 48 ILE G O 1 ATOM 3588 C CB . ILE C 3 48 ? 175.924 5.733 51.378 1.00 54.34 ? 48 ILE G CB 1 ATOM 3589 C CG1 . ILE C 3 48 ? 175.755 6.487 50.060 1.00 41.05 ? 48 ILE G CG1 1 ATOM 3590 C CG2 . ILE C 3 48 ? 174.569 5.404 52.001 1.00 31.87 ? 48 ILE G CG2 1 ATOM 3591 C CD1 . ILE C 3 48 ? 175.041 5.708 48.995 1.00 46.27 ? 48 ILE G CD1 1 ATOM 3592 N N . ALA C 3 49 ? 177.562 4.948 53.978 1.00 45.60 ? 49 ALA G N 1 ATOM 3593 C CA . ALA C 3 49 ? 177.555 4.292 55.284 1.00 43.81 ? 49 ALA G CA 1 ATOM 3594 C C . ALA C 3 49 ? 178.138 5.178 56.379 1.00 56.11 ? 49 ALA G C 1 ATOM 3595 O O . ALA C 3 49 ? 177.715 5.080 57.539 1.00 57.91 ? 49 ALA G O 1 ATOM 3596 C CB . ALA C 3 49 ? 178.316 2.967 55.217 1.00 40.18 ? 49 ALA G CB 1 ATOM 3597 N N . ARG C 3 50 ? 179.093 6.046 56.041 1.00 54.86 ? 50 ARG G N 1 ATOM 3598 C CA . ARG C 3 50 ? 179.724 6.901 57.041 1.00 52.34 ? 50 ARG G CA 1 ATOM 3599 C C . ARG C 3 50 ? 178.868 8.098 57.436 1.00 62.79 ? 50 ARG G C 1 ATOM 3600 O O . ARG C 3 50 ? 179.239 8.817 58.371 1.00 70.84 ? 50 ARG G O 1 ATOM 3601 C CB . ARG C 3 50 ? 181.092 7.382 56.545 1.00 51.98 ? 50 ARG G CB 1 ATOM 3602 C CG . ARG C 3 50 ? 182.134 6.275 56.448 1.00 69.04 ? 50 ARG G CG 1 ATOM 3603 C CD . ARG C 3 50 ? 183.498 6.821 56.051 1.00 83.82 ? 50 ARG G CD 1 ATOM 3604 N NE . ARG C 3 50 ? 184.314 7.162 57.212 1.00 92.34 ? 50 ARG G NE 1 ATOM 3605 C CZ . ARG C 3 50 ? 185.320 6.418 57.659 1.00 93.80 ? 50 ARG G CZ 1 ATOM 3606 N NH1 . ARG C 3 50 ? 185.645 5.291 57.035 1.00 86.71 1 50 ARG G NH1 1 ATOM 3607 N NH2 . ARG C 3 50 ? 186.007 6.806 58.724 1.00 99.33 ? 50 ARG G NH2 1 ATOM 3608 N N . CYS C 3 51 ? 177.734 8.329 56.768 1.00 66.77 ? 51 CYS G N 1 ATOM 3609 C CA . CYS C 3 51 ? 176.823 9.376 57.227 1.00 58.80 ? 51 CYS G CA 1 ATOM 3610 C C . CYS C 3 51 ? 176.128 8.973 58.522 1.00 54.55 ? 51 CYS G C 1 ATOM 3611 O O . CYS C 3 51 ? 175.901 9.816 59.396 1.00 61.44 ? 51 CYS G O 1 ATOM 3612 C CB . CYS C 3 51 ? 175.798 9.698 56.142 1.00 59.64 ? 51 CYS G CB 1 ATOM 3613 S SG . CYS C 3 51 ? 176.491 10.570 54.720 1.00 70.36 ? 51 CYS G SG 1 ATOM 3614 N N . GLN C 3 52 ? 175.789 7.685 58.657 1.00 64.46 ? 52 GLN G N 1 ATOM 3615 C CA . GLN C 3 52 ? 175.126 7.129 59.841 1.00 62.30 ? 52 GLN G CA 1 ATOM 3616 C C . GLN C 3 52 ? 173.771 7.790 60.086 1.00 53.49 ? 52 GLN G C 1 ATOM 3617 O O . GLN C 3 52 ? 173.442 8.191 61.202 1.00 67.51 ? 52 GLN G O 1 ATOM 3618 C CB . GLN C 3 52 ? 176.017 7.231 61.082 1.00 66.32 ? 52 GLN G CB 1 ATOM 3619 C CG . GLN C 3 52 ? 177.387 6.599 60.911 1.00 71.03 ? 52 GLN G CG 1 ATOM 3620 C CD . GLN C 3 52 ? 178.225 6.675 62.172 1.00 75.27 ? 52 GLN G CD 1 ATOM 3621 O OE1 . GLN C 3 52 ? 177.901 6.054 63.182 1.00 74.40 ? 52 GLN G OE1 1 ATOM 3622 N NE2 . GLN C 3 52 ? 179.308 7.445 62.120 1.00 79.30 ? 52 GLN G NE2 1 ATOM 3623 N N . ILE C 3 53 ? 172.979 7.902 59.021 1.00 57.14 ? 53 ILE G N 1 ATOM 3624 C CA . ILE C 3 53 ? 171.622 8.432 59.109 1.00 56.76 ? 53 ILE G CA 1 ATOM 3625 C C . ILE C 3 53 ? 170.693 7.630 58.200 1.00 61.66 ? 53 ILE G C 1 ATOM 3626 O O . ILE C 3 53 ? 169.625 8.116 57.811 1.00 74.33 ? 53 ILE G O 1 ATOM 3627 C CB . ILE C 3 53 ? 171.581 9.932 58.748 1.00 59.11 ? 53 ILE G CB 1 ATOM 3628 C CG1 . ILE C 3 53 ? 172.024 10.159 57.305 1.00 55.80 ? 53 ILE G CG1 1 ATOM 3629 C CG2 . ILE C 3 53 ? 172.476 10.759 59.665 1.00 55.46 ? 53 ILE G CG2 1 ATOM 3630 C CD1 . ILE C 3 53 ? 171.740 11.567 56.803 1.00 40.99 ? 53 ILE G CD1 1 ATOM 3631 N N . ALA C 3 54 ? 171.071 6.381 57.890 1.00 59.68 ? 54 ALA G N 1 ATOM 3632 C CA . ALA C 3 54 ? 170.451 5.652 56.781 1.00 57.11 ? 54 ALA G CA 1 ATOM 3633 C C . ALA C 3 54 ? 169.152 4.954 57.175 1.00 73.28 ? 54 ALA G C 1 ATOM 3634 O O . ALA C 3 54 ? 168.112 5.167 56.542 1.00 93.67 ? 54 ALA G O 1 ATOM 3635 C CB . ALA C 3 54 ? 171.426 4.624 56.206 1.00 43.26 ? 54 ALA G CB 1 ATOM 3636 N N . GLY C 3 55 ? 169.189 4.096 58.185 1.00 61.73 ? 55 GLY G N 1 ATOM 3637 C CA . GLY C 3 55 ? 168.058 3.215 58.423 1.00 58.14 ? 55 GLY G CA 1 ATOM 3638 C C . GLY C 3 55 ? 168.257 1.873 57.744 1.00 59.78 ? 55 GLY G C 1 ATOM 3639 O O . GLY C 3 55 ? 169.352 1.524 57.295 1.00 60.55 ? 55 GLY G O 1 ATOM 3640 N N . THR C 3 56 ? 167.171 1.101 57.659 1.00 63.90 ? 56 THR G N 1 ATOM 3641 C CA . THR C 3 56 ? 167.304 -0.244 57.111 1.00 59.51 ? 56 THR G CA 1 ATOM 3642 C C . THR C 3 56 ? 167.312 -0.282 55.587 1.00 57.13 ? 56 THR G C 1 ATOM 3643 O O . THR C 3 56 ? 167.801 -1.261 55.013 1.00 52.32 ? 56 THR G O 1 ATOM 3644 C CB . THR C 3 56 ? 166.184 -1.152 57.618 1.00 63.52 ? 56 THR G CB 1 ATOM 3645 O OG1 . THR C 3 56 ? 164.940 -0.744 57.039 1.00 75.12 ? 56 THR G OG1 1 ATOM 3646 C CG2 . THR C 3 56 ? 166.097 -1.093 59.132 1.00 58.35 ? 56 THR G CG2 1 ATOM 3647 N N . VAL C 3 57 ? 166.787 0.738 54.919 1.00 54.73 ? 57 VAL G N 1 ATOM 3648 C CA . VAL C 3 57 ? 166.642 0.676 53.470 1.00 64.29 ? 57 VAL G CA 1 ATOM 3649 C C . VAL C 3 57 ? 167.945 1.105 52.814 1.00 57.33 ? 57 VAL G C 1 ATOM 3650 O O . VAL C 3 57 ? 168.539 2.130 53.175 1.00 63.13 ? 57 VAL G O 1 ATOM 3651 C CB . VAL C 3 57 ? 165.450 1.527 52.998 1.00 66.37 ? 57 VAL G CB 1 ATOM 3652 C CG1 . VAL C 3 57 ? 165.120 2.573 54.019 1.00 66.54 ? 57 VAL G CG1 1 ATOM 3653 C CG2 . VAL C 3 57 ? 165.721 2.145 51.627 1.00 43.02 ? 57 VAL G CG2 1 ATOM 3654 N N . VAL C 3 58 ? 168.408 0.296 51.871 1.00 48.13 ? 58 VAL G N 1 ATOM 3655 C CA . VAL C 3 58 ? 169.633 0.581 51.140 1.00 45.95 ? 58 VAL G CA 1 ATOM 3656 C C . VAL C 3 58 ? 169.279 1.499 49.980 1.00 46.50 ? 58 VAL G C 1 ATOM 3657 O O . VAL C 3 58 ? 168.470 1.137 49.120 1.00 50.82 ? 58 VAL G O 1 ATOM 3658 C CB . VAL C 3 58 ? 170.296 -0.714 50.651 1.00 50.85 ? 58 VAL G CB 1 ATOM 3659 C CG1 . VAL C 3 58 ? 171.511 -0.395 49.807 1.00 45.63 ? 58 VAL G CG1 1 ATOM 3660 C CG2 . VAL C 3 58 ? 170.673 -1.598 51.841 1.00 47.22 ? 58 VAL G CG2 1 ATOM 3661 N N . SER C 3 59 ? 169.865 2.696 49.967 1.00 41.31 ? 59 SER G N 1 ATOM 3662 C CA . SER C 3 59 ? 169.557 3.677 48.939 1.00 41.77 ? 59 SER G CA 1 ATOM 3663 C C . SER C 3 59 ? 170.783 4.539 48.665 1.00 49.54 ? 59 SER G C 1 ATOM 3664 O O . SER C 3 59 ? 171.705 4.620 49.481 1.00 54.08 ? 59 SER G O 1 ATOM 3665 C CB . SER C 3 59 ? 168.358 4.551 49.338 1.00 39.46 ? 59 SER G CB 1 ATOM 3666 O OG . SER C 3 59 ? 168.607 5.259 50.538 1.00 54.37 ? 59 SER G OG 1 ATOM 3667 N N . THR C 3 60 ? 170.781 5.170 47.488 1.00 42.95 ? 60 THR G N 1 ATOM 3668 C CA . THR C 3 60 ? 171.795 6.120 47.059 1.00 39.13 ? 60 THR G CA 1 ATOM 3669 C C . THR C 3 60 ? 171.177 7.501 46.879 1.00 48.63 ? 60 THR G C 1 ATOM 3670 O O . THR C 3 60 ? 169.967 7.639 46.657 1.00 46.41 ? 60 THR G O 1 ATOM 3671 C CB . THR C 3 60 ? 172.445 5.714 45.731 1.00 38.22 ? 60 THR G CB 1 ATOM 3672 O OG1 . THR C 3 60 ? 171.432 5.590 44.726 1.00 48.27 ? 60 THR G OG1 1 ATOM 3673 C CG2 . THR C 3 60 ? 173.188 4.403 45.864 1.00 38.35 ? 60 THR G CG2 1 ATOM 3674 N N . GLN C 3 61 ? 172.047 8.518 46.960 1.00 39.06 ? 61 GLN G N 1 ATOM 3675 C CA . GLN C 3 61 ? 171.720 9.929 46.759 1.00 38.37 ? 61 GLN G CA 1 ATOM 3676 C C . GLN C 3 61 ? 170.768 10.461 47.828 1.00 51.21 ? 61 GLN G C 1 ATOM 3677 O O . GLN C 3 61 ? 171.059 11.479 48.467 1.00 45.48 ? 61 GLN G O 1 ATOM 3678 C CB . GLN C 3 61 ? 171.123 10.168 45.364 1.00 36.19 ? 61 GLN G CB 1 ATOM 3679 C CG . GLN C 3 61 ? 172.030 9.796 44.196 1.00 30.53 ? 61 GLN G CG 1 ATOM 3680 C CD . GLN C 3 61 ? 171.564 10.421 42.891 1.00 45.43 ? 61 GLN G CD 1 ATOM 3681 O OE1 . GLN C 3 61 ? 170.607 11.197 42.869 1.00 44.18 ? 61 GLN G OE1 1 ATOM 3682 N NE2 . GLN C 3 61 ? 172.246 10.094 41.799 1.00 44.24 ? 61 GLN G NE2 1 ATOM 3683 N N . LEU C 3 62 ? 169.627 9.800 48.014 1.00 40.15 ? 62 LEU G N 1 ATOM 3684 C CA . LEU C 3 62 ? 168.648 10.176 49.023 1.00 43.62 ? 62 LEU G CA 1 ATOM 3685 C C . LEU C 3 62 ? 168.552 9.098 50.094 1.00 51.15 ? 62 LEU G C 1 ATOM 3686 O O . LEU C 3 62 ? 168.544 7.900 49.787 1.00 53.54 ? 62 LEU G O 1 ATOM 3687 C CB . LEU C 3 62 ? 167.268 10.393 48.400 1.00 46.98 ? 62 LEU G CB 1 ATOM 3688 C CG . LEU C 3 62 ? 167.189 11.377 47.240 1.00 48.75 ? 62 LEU G CG 1 ATOM 3689 C CD1 . LEU C 3 62 ? 165.781 11.409 46.690 1.00 45.72 ? 62 LEU G CD1 1 ATOM 3690 C CD2 . LEU C 3 62 ? 167.608 12.744 47.709 1.00 49.00 ? 62 LEU G CD2 1 ATOM 3691 N N . PHE C 3 63 ? 168.465 9.529 51.349 1.00 43.11 ? 63 PHE G N 1 ATOM 3692 C CA . PHE C 3 63 ? 168.236 8.622 52.464 1.00 40.02 ? 63 PHE G CA 1 ATOM 3693 C C . PHE C 3 63 ? 166.734 8.450 52.655 1.00 54.72 ? 63 PHE G C 1 ATOM 3694 O O . PHE C 3 63 ? 166.019 9.423 52.918 1.00 62.82 ? 63 PHE G O 1 ATOM 3695 C CB . PHE C 3 63 ? 168.896 9.149 53.738 1.00 39.73 ? 63 PHE G CB 1 ATOM 3696 C CG . PHE C 3 63 ? 170.409 9.096 53.712 1.00 44.00 ? 63 PHE G CG 1 ATOM 3697 C CD1 . PHE C 3 63 ? 171.078 7.892 53.892 1.00 46.63 ? 63 PHE G CD1 1 ATOM 3698 C CD2 . PHE C 3 63 ? 171.160 10.252 53.524 1.00 45.32 ? 63 PHE G CD2 1 ATOM 3699 C CE1 . PHE C 3 63 ? 172.470 7.839 53.871 1.00 60.89 ? 63 PHE G CE1 1 ATOM 3700 C CE2 . PHE C 3 63 ? 172.555 10.208 53.506 1.00 51.25 ? 63 PHE G CE2 1 ATOM 3701 C CZ . PHE C 3 63 ? 173.209 9.002 53.680 1.00 52.44 ? 63 PHE G CZ 1 ATOM 3702 N N . LEU C 3 64 ? 166.256 7.222 52.498 1.00 53.90 ? 64 LEU G N 1 ATOM 3703 C CA . LEU C 3 64 ? 164.851 6.891 52.672 1.00 57.20 ? 64 LEU G CA 1 ATOM 3704 C C . LEU C 3 64 ? 164.621 6.345 54.073 1.00 53.25 ? 64 LEU G C 1 ATOM 3705 O O . LEU C 3 64 ? 165.354 5.464 54.530 1.00 54.16 ? 64 LEU G O 1 ATOM 3706 C CB . LEU C 3 64 ? 164.405 5.859 51.635 1.00 56.60 ? 64 LEU G CB 1 ATOM 3707 C CG . LEU C 3 64 ? 163.884 6.356 50.290 1.00 58.62 ? 64 LEU G CG 1 ATOM 3708 C CD1 . LEU C 3 64 ? 164.193 7.822 50.088 1.00 50.28 ? 64 LEU G CD1 1 ATOM 3709 C CD2 . LEU C 3 64 ? 164.479 5.521 49.179 1.00 62.34 ? 64 LEU G CD2 1 ATOM 3710 N N . ASN C 3 65 ? 163.619 6.892 54.761 1.00 49.73 ? 65 ASN G N 1 ATOM 3711 C CA . ASN C 3 65 ? 163.151 6.323 56.023 1.00 56.40 ? 65 ASN G CA 1 ATOM 3712 C C . ASN C 3 65 ? 164.267 6.252 57.064 1.00 59.75 ? 65 ASN G C 1 ATOM 3713 O O . ASN C 3 65 ? 164.345 5.311 57.858 1.00 66.87 ? 65 ASN G O 1 ATOM 3714 C CB . ASN C 3 65 ? 162.551 4.937 55.793 1.00 55.06 ? 65 ASN G CB 1 ATOM 3715 C CG . ASN C 3 65 ? 161.235 4.970 55.047 1.00 46.58 ? 65 ASN G CG 1 ATOM 3716 N ND2 . ASN C 3 65 ? 160.675 3.780 54.901 1.00 51.34 ? 65 ASN G ND2 1 ATOM 3717 N N . GLY C 3 66 ? 165.149 7.251 57.057 1.00 59.09 ? 66 GLY G N 1 ATOM 3718 C CA . GLY C 3 66 ? 166.282 7.289 57.955 1.00 57.97 ? 66 GLY G CA 1 ATOM 3719 C C . GLY C 3 66 ? 166.068 8.221 59.136 1.00 67.46 ? 66 GLY G C 1 ATOM 3720 O O . GLY C 3 66 ? 164.961 8.673 59.425 1.00 61.99 ? 66 GLY G O 1 ATOM 3721 N N . SER C 3 67 ? 167.167 8.506 59.829 1.00 72.69 ? 67 SER G N 1 ATOM 3722 C CA . SER C 3 67 ? 167.097 9.359 61.006 1.00 64.75 ? 67 SER G CA 1 ATOM 3723 C C . SER C 3 67 ? 166.845 10.805 60.606 1.00 67.98 ? 67 SER G C 1 ATOM 3724 O O . SER C 3 67 ? 167.322 11.281 59.572 1.00 81.52 ? 67 SER G O 1 ATOM 3725 C CB . SER C 3 67 ? 168.391 9.274 61.814 1.00 69.80 ? 67 SER G CB 1 ATOM 3726 O OG . SER C 3 67 ? 168.758 7.934 62.081 1.00 84.09 ? 67 SER G OG 1 ATOM 3727 N N . LEU C 3 68 ? 166.090 11.506 61.445 1.00 68.78 ? 68 LEU G N 1 ATOM 3728 C CA . LEU C 3 68 ? 165.842 12.929 61.290 1.00 68.25 ? 68 LEU G CA 1 ATOM 3729 C C . LEU C 3 68 ? 166.590 13.702 62.370 1.00 66.30 ? 68 LEU G C 1 ATOM 3730 O O . LEU C 3 68 ? 166.950 13.160 63.419 1.00 64.84 ? 68 LEU G O 1 ATOM 3731 C CB . LEU C 3 68 ? 164.338 13.240 61.354 1.00 65.13 ? 68 LEU G CB 1 ATOM 3732 C CG . LEU C 3 68 ? 163.502 12.760 60.161 1.00 60.50 ? 68 LEU G CG 1 ATOM 3733 C CD1 . LEU C 3 68 ? 162.005 12.854 60.429 1.00 51.45 ? 68 LEU G CD1 1 ATOM 3734 C CD2 . LEU C 3 68 ? 163.863 13.555 58.915 1.00 54.14 ? 68 LEU G CD2 1 ATOM 3735 N N . ALA C 3 69 ? 166.841 14.978 62.089 1.00 66.30 ? 69 ALA G N 1 ATOM 3736 C CA . ALA C 3 69 ? 167.446 15.869 63.066 1.00 70.77 ? 69 ALA G CA 1 ATOM 3737 C C . ALA C 3 69 ? 166.379 16.399 64.027 1.00 71.39 ? 69 ALA G C 1 ATOM 3738 O O . ALA C 3 69 ? 165.175 16.279 63.790 1.00 81.79 ? 69 ALA G O 1 ATOM 3739 C CB . ALA C 3 69 ? 168.167 17.019 62.366 1.00 64.21 ? 69 ALA G CB 1 ATOM 3740 N N . GLU C 3 70 ? 166.834 16.999 65.128 1.00 77.16 ? 70 GLU G N 1 ATOM 3741 C CA . GLU C 3 70 ? 165.906 17.422 66.175 1.00 81.85 ? 70 GLU G CA 1 ATOM 3742 C C . GLU C 3 70 ? 165.137 18.680 65.781 1.00 88.83 ? 70 GLU G C 1 ATOM 3743 O O . GLU C 3 70 ? 163.902 18.696 65.811 1.00 102.24 ? 70 GLU G O 1 ATOM 3744 C CB . GLU C 3 70 ? 166.657 17.643 67.491 1.00 78.84 ? 70 GLU G CB 1 ATOM 3745 N N . GLU C 3 71 ? 165.848 19.748 65.413 1.00 86.14 ? 71 GLU G N 1 ATOM 3746 C CA . GLU C 3 71 ? 165.211 21.035 65.140 1.00 95.12 ? 71 GLU G CA 1 ATOM 3747 C C . GLU C 3 71 ? 165.451 21.516 63.715 1.00 87.68 ? 71 GLU G C 1 ATOM 3748 O O . GLU C 3 71 ? 164.485 21.800 62.996 1.00 83.63 ? 71 GLU G O 1 ATOM 3749 C CB . GLU C 3 71 ? 165.693 22.089 66.150 1.00 97.73 ? 71 GLU G CB 1 ATOM 3750 C CG . GLU C 3 71 ? 165.168 23.505 65.899 1.00 103.31 ? 71 GLU G CG 1 ATOM 3751 C CD . GLU C 3 71 ? 163.655 23.621 66.046 1.00 116.07 ? 71 GLU G CD 1 ATOM 3752 O OE1 . GLU C 3 71 ? 163.095 24.674 65.665 1.00 112.39 ? 71 GLU G OE1 1 ATOM 3753 O OE2 . GLU C 3 71 ? 163.026 22.662 66.542 1.00 124.98 -1 71 GLU G OE2 1 ATOM 3754 N N . GLU C 3 72 ? 166.702 21.630 63.282 1.00 81.34 ? 72 GLU G N 1 ATOM 3755 C CA . GLU C 3 72 ? 167.011 22.176 61.971 1.00 80.72 ? 72 GLU G CA 1 ATOM 3756 C C . GLU C 3 72 ? 167.804 21.164 61.155 1.00 80.57 ? 72 GLU G C 1 ATOM 3757 O O . GLU C 3 72 ? 168.389 20.218 61.692 1.00 76.90 ? 72 GLU G O 1 ATOM 3758 C CB . GLU C 3 72 ? 167.791 23.499 62.082 1.00 78.05 ? 72 GLU G CB 1 ATOM 3759 C CG . GLU C 3 72 ? 169.054 23.435 62.934 1.00 75.56 ? 72 GLU G CG 1 ATOM 3760 N N . VAL C 3 73 ? 167.792 21.363 59.835 1.00 72.06 ? 73 VAL G N 1 ATOM 3761 C CA . VAL C 3 73 ? 168.635 20.561 58.960 1.00 64.99 ? 73 VAL G CA 1 ATOM 3762 C C . VAL C 3 73 ? 170.087 20.764 59.368 1.00 62.62 ? 73 VAL G C 1 ATOM 3763 O O . VAL C 3 73 ? 170.516 21.890 59.655 1.00 63.56 ? 73 VAL G O 1 ATOM 3764 C CB . VAL C 3 73 ? 168.385 20.935 57.490 1.00 66.09 ? 73 VAL G CB 1 ATOM 3765 C CG1 . VAL C 3 73 ? 168.244 22.435 57.345 1.00 83.32 ? 73 VAL G CG1 1 ATOM 3766 C CG2 . VAL C 3 73 ? 169.506 20.420 56.596 1.00 57.89 ? 73 VAL G CG2 1 ATOM 3767 N N . VAL C 3 74 ? 170.841 19.668 59.450 1.00 50.56 ? 74 VAL G N 1 ATOM 3768 C CA . VAL C 3 74 ? 172.249 19.723 59.824 1.00 58.13 ? 74 VAL G CA 1 ATOM 3769 C C . VAL C 3 74 ? 173.068 19.002 58.760 1.00 58.59 ? 74 VAL G C 1 ATOM 3770 O O . VAL C 3 74 ? 172.636 17.982 58.210 1.00 58.68 ? 74 VAL G O 1 ATOM 3771 C CB . VAL C 3 74 ? 172.507 19.139 61.236 1.00 52.06 ? 74 VAL G CB 1 ATOM 3772 C CG1 . VAL C 3 74 ? 171.234 18.660 61.866 1.00 53.07 ? 74 VAL G CG1 1 ATOM 3773 C CG2 . VAL C 3 74 ? 173.544 18.028 61.206 1.00 45.52 ? 74 VAL G CG2 1 ATOM 3774 N N . ILE C 3 75 ? 174.232 19.569 58.443 1.00 51.90 ? 75 ILE G N 1 ATOM 3775 C CA . ILE C 3 75 ? 175.157 19.040 57.450 1.00 44.28 ? 75 ILE G CA 1 ATOM 3776 C C . ILE C 3 75 ? 176.472 18.705 58.141 1.00 47.16 ? 75 ILE G C 1 ATOM 3777 O O . ILE C 3 75 ? 176.923 19.418 59.045 1.00 50.12 ? 75 ILE G O 1 ATOM 3778 C CB . ILE C 3 75 ? 175.390 20.032 56.283 1.00 47.16 ? 75 ILE G CB 1 ATOM 3779 C CG1 . ILE C 3 75 ? 175.934 21.370 56.803 1.00 56.45 ? 75 ILE G CG1 1 ATOM 3780 C CG2 . ILE C 3 75 ? 174.106 20.264 55.506 1.00 47.25 ? 75 ILE G CG2 1 ATOM 3781 C CD1 . ILE C 3 75 ? 176.423 22.296 55.711 1.00 49.29 ? 75 ILE G CD1 1 ATOM 3782 N N . ARG C 3 76 ? 177.092 17.610 57.712 1.00 46.72 ? 76 ARG G N 1 ATOM 3783 C CA . ARG C 3 76 ? 178.356 17.186 58.288 1.00 47.55 ? 76 ARG G CA 1 ATOM 3784 C C . ARG C 3 76 ? 179.270 16.671 57.184 1.00 61.79 ? 76 ARG G C 1 ATOM 3785 O O . ARG C 3 76 ? 178.804 16.218 56.134 1.00 61.80 ? 76 ARG G O 1 ATOM 3786 C CB . ARG C 3 76 ? 178.133 16.118 59.369 1.00 52.53 ? 76 ARG G CB 1 ATOM 3787 C CG . ARG C 3 76 ? 177.457 16.660 60.633 1.00 61.87 ? 76 ARG G CG 1 ATOM 3788 C CD . ARG C 3 76 ? 177.240 15.575 61.669 1.00 65.33 ? 76 ARG G CD 1 ATOM 3789 N NE . ARG C 3 76 ? 176.099 14.735 61.323 1.00 80.48 ? 76 ARG G NE 1 ATOM 3790 C CZ . ARG C 3 76 ? 174.933 14.751 61.965 1.00 82.62 ? 76 ARG G CZ 1 ATOM 3791 N NH1 . ARG C 3 76 ? 174.752 15.556 63.005 1.00 76.81 1 76 ARG G NH1 1 ATOM 3792 N NH2 . ARG C 3 76 ? 173.947 13.953 61.572 1.00 71.24 ? 76 ARG G NH2 1 ATOM 3793 N N . SER C 3 77 ? 180.579 16.765 57.428 1.00 58.76 ? 77 SER G N 1 ATOM 3794 C CA . SER C 3 77 ? 181.586 16.236 56.519 1.00 59.18 ? 77 SER G CA 1 ATOM 3795 C C . SER C 3 77 ? 182.815 15.814 57.309 1.00 57.98 ? 77 SER G C 1 ATOM 3796 O O . SER C 3 77 ? 183.202 16.484 58.270 1.00 66.13 ? 77 SER G O 1 ATOM 3797 C CB . SER C 3 77 ? 182.001 17.257 55.456 1.00 53.35 ? 77 SER G CB 1 ATOM 3798 O OG . SER C 3 77 ? 183.120 16.772 54.725 1.00 50.59 ? 77 SER G OG 1 ATOM 3799 N N . GLU C 3 78 ? 183.438 14.711 56.885 1.00 51.50 ? 78 GLU G N 1 ATOM 3800 C CA . GLU C 3 78 ? 184.682 14.282 57.509 1.00 52.98 ? 78 GLU G CA 1 ATOM 3801 C C . GLU C 3 78 ? 185.796 15.304 57.291 1.00 58.36 ? 78 GLU G C 1 ATOM 3802 O O . GLU C 3 78 ? 186.735 15.364 58.096 1.00 46.49 ? 78 GLU G O 1 ATOM 3803 C CB . GLU C 3 78 ? 185.085 12.906 56.969 1.00 62.80 ? 78 GLU G CB 1 ATOM 3804 C CG . GLU C 3 78 ? 186.157 12.183 57.781 1.00 75.35 ? 78 GLU G CG 1 ATOM 3805 N N . ASP C 3 79 ? 185.695 16.118 56.233 1.00 61.35 ? 79 ASP G N 1 ATOM 3806 C CA . ASP C 3 79 ? 186.640 17.190 55.937 1.00 48.72 ? 79 ASP G CA 1 ATOM 3807 C C . ASP C 3 79 ? 186.020 18.170 54.946 1.00 51.48 ? 79 ASP G C 1 ATOM 3808 O O . ASP C 3 79 ? 185.878 17.845 53.763 1.00 64.81 ? 79 ASP G O 1 ATOM 3809 C CB . ASP C 3 79 ? 187.941 16.625 55.364 1.00 46.69 ? 79 ASP G CB 1 ATOM 3810 C CG . ASP C 3 79 ? 189.075 17.636 55.383 1.00 59.38 ? 79 ASP G CG 1 ATOM 3811 O OD1 . ASP C 3 79 ? 188.797 18.857 55.400 1.00 54.22 ? 79 ASP G OD1 1 ATOM 3812 O OD2 . ASP C 3 79 ? 190.250 17.201 55.391 1.00 68.46 -1 79 ASP G OD2 1 ATOM 3813 N N . TRP C 3 80 ? 185.671 19.378 55.400 1.00 55.76 ? 80 TRP G N 1 ATOM 3814 C CA . TRP C 3 80 ? 185.000 20.340 54.524 1.00 55.13 ? 80 TRP G CA 1 ATOM 3815 C C . TRP C 3 80 ? 185.862 20.782 53.352 1.00 50.64 ? 80 TRP G C 1 ATOM 3816 O O . TRP C 3 80 ? 185.314 21.239 52.344 1.00 51.89 ? 80 TRP G O 1 ATOM 3817 C CB . TRP C 3 80 ? 184.565 21.577 55.313 1.00 56.06 ? 80 TRP G CB 1 ATOM 3818 C CG . TRP C 3 80 ? 183.583 21.266 56.375 1.00 59.85 ? 80 TRP G CG 1 ATOM 3819 C CD1 . TRP C 3 80 ? 183.823 21.190 57.713 1.00 61.92 ? 80 TRP G CD1 1 ATOM 3820 C CD2 . TRP C 3 80 ? 182.198 20.956 56.194 1.00 62.93 ? 80 TRP G CD2 1 ATOM 3821 N NE1 . TRP C 3 80 ? 182.671 20.860 58.380 1.00 64.74 ? 80 TRP G NE1 1 ATOM 3822 C CE2 . TRP C 3 80 ? 181.657 20.713 57.471 1.00 59.25 ? 80 TRP G CE2 1 ATOM 3823 C CE3 . TRP C 3 80 ? 181.362 20.865 55.077 1.00 62.37 ? 80 TRP G CE3 1 ATOM 3824 C CZ2 . TRP C 3 80 ? 180.316 20.385 57.666 1.00 51.06 ? 80 TRP G CZ2 1 ATOM 3825 C CZ3 . TRP C 3 80 ? 180.031 20.538 55.272 1.00 66.91 ? 80 TRP G CZ3 1 ATOM 3826 C CH2 . TRP C 3 80 ? 179.522 20.303 56.558 1.00 61.12 ? 80 TRP G CH2 1 ATOM 3827 N N . ARG C 3 81 ? 187.188 20.669 53.468 1.00 52.44 ? 81 ARG G N 1 ATOM 3828 C CA . ARG C 3 81 ? 188.125 21.152 52.457 1.00 57.97 ? 81 ARG G CA 1 ATOM 3829 C C . ARG C 3 81 ? 188.496 20.101 51.411 1.00 62.15 ? 81 ARG G C 1 ATOM 3830 O O . ARG C 3 81 ? 189.141 20.443 50.415 1.00 68.10 ? 81 ARG G O 1 ATOM 3831 C CB . ARG C 3 81 ? 189.410 21.662 53.130 1.00 49.72 ? 81 ARG G CB 1 ATOM 3832 C CG . ARG C 3 81 ? 189.253 22.921 53.998 1.00 50.40 ? 81 ARG G CG 1 ATOM 3833 C CD . ARG C 3 81 ? 190.609 23.449 54.494 1.00 51.21 ? 81 ARG G CD 1 ATOM 3834 N N . ASP C 3 82 ? 188.118 18.840 51.607 1.00 53.62 ? 82 ASP G N 1 ATOM 3835 C CA . ASP C 3 82 ? 188.403 17.765 50.661 1.00 44.17 ? 82 ASP G CA 1 ATOM 3836 C C . ASP C 3 82 ? 187.144 17.527 49.829 1.00 42.26 ? 82 ASP G C 1 ATOM 3837 O O . ASP C 3 82 ? 186.165 16.960 50.326 1.00 43.32 ? 82 ASP G O 1 ATOM 3838 C CB . ASP C 3 82 ? 188.840 16.496 51.403 1.00 48.21 ? 82 ASP G CB 1 ATOM 3839 C CG . ASP C 3 82 ? 189.283 15.369 50.467 1.00 59.33 ? 82 ASP G CG 1 ATOM 3840 O OD1 . ASP C 3 82 ? 189.031 15.454 49.247 1.00 53.11 ? 82 ASP G OD1 1 ATOM 3841 O OD2 . ASP C 3 82 ? 189.882 14.386 50.959 1.00 71.84 -1 82 ASP G OD2 1 ATOM 3842 N N . ASN C 3 83 ? 187.173 17.943 48.556 1.00 43.98 ? 83 ASN G N 1 ATOM 3843 C CA . ASN C 3 83 ? 186.013 17.744 47.693 1.00 41.80 ? 83 ASN G CA 1 ATOM 3844 C C . ASN C 3 83 ? 185.771 16.273 47.365 1.00 50.16 ? 83 ASN G C 1 ATOM 3845 O O . ASN C 3 83 ? 184.775 15.959 46.704 1.00 56.88 ? 83 ASN G O 1 ATOM 3846 C CB . ASN C 3 83 ? 186.139 18.578 46.403 1.00 37.68 ? 83 ASN G CB 1 ATOM 3847 C CG . ASN C 3 83 ? 187.272 18.121 45.490 1.00 43.20 ? 83 ASN G CG 1 ATOM 3848 O OD1 . ASN C 3 83 ? 187.713 16.977 45.533 1.00 57.29 ? 83 ASN G OD1 1 ATOM 3849 N ND2 . ASN C 3 83 ? 187.741 19.030 44.643 1.00 44.95 ? 83 ASN G ND2 1 ATOM 3850 N N . ALA C 3 84 ? 186.659 15.376 47.804 1.00 47.53 ? 84 ALA G N 1 ATOM 3851 C CA . ALA C 3 84 ? 186.476 13.940 47.663 1.00 48.45 ? 84 ALA G CA 1 ATOM 3852 C C . ALA C 3 84 ? 185.736 13.324 48.843 1.00 49.39 ? 84 ALA G C 1 ATOM 3853 O O . ALA C 3 84 ? 185.395 12.137 48.787 1.00 47.06 ? 84 ALA G O 1 ATOM 3854 C CB . ALA C 3 84 ? 187.832 13.243 47.486 1.00 36.14 ? 84 ALA G CB 1 ATOM 3855 N N . LYS C 3 85 ? 185.505 14.092 49.909 1.00 53.86 ? 85 LYS G N 1 ATOM 3856 C CA . LYS C 3 85 ? 184.657 13.671 51.018 1.00 46.62 ? 85 LYS G CA 1 ATOM 3857 C C . LYS C 3 85 ? 183.254 14.221 50.820 1.00 44.43 ? 85 LYS G C 1 ATOM 3858 O O . LYS C 3 85 ? 183.075 15.403 50.509 1.00 46.92 ? 85 LYS G O 1 ATOM 3859 C CB . LYS C 3 85 ? 185.196 14.166 52.363 1.00 47.87 ? 85 LYS G CB 1 ATOM 3860 C CG . LYS C 3 85 ? 186.573 13.686 52.724 1.00 58.80 ? 85 LYS G CG 1 ATOM 3861 C CD . LYS C 3 85 ? 186.607 12.193 52.917 1.00 60.09 ? 85 LYS G CD 1 ATOM 3862 C CE . LYS C 3 85 ? 188.021 11.766 53.263 1.00 69.03 ? 85 LYS G CE 1 ATOM 3863 N NZ . LYS C 3 85 ? 188.219 10.290 53.207 1.00 67.82 1 85 LYS G NZ 1 ATOM 3864 N N . SER C 3 86 ? 182.263 13.365 51.030 1.00 42.73 ? 86 SER G N 1 ATOM 3865 C CA . SER C 3 86 ? 180.885 13.760 50.811 1.00 44.19 ? 86 SER G CA 1 ATOM 3866 C C . SER C 3 86 ? 180.361 14.583 51.982 1.00 46.80 ? 86 SER G C 1 ATOM 3867 O O . SER C 3 86 ? 180.954 14.643 53.064 1.00 48.13 ? 86 SER G O 1 ATOM 3868 C CB . SER C 3 86 ? 180.007 12.535 50.583 1.00 47.25 ? 86 SER G CB 1 ATOM 3869 O OG . SER C 3 86 ? 180.223 11.992 49.290 1.00 46.27 ? 86 SER G OG 1 ATOM 3870 N N . ILE C 3 87 ? 179.229 15.234 51.741 1.00 50.68 ? 87 ILE G N 1 ATOM 3871 C CA . ILE C 3 87 ? 178.577 16.100 52.710 1.00 46.71 ? 87 ILE G CA 1 ATOM 3872 C C . ILE C 3 87 ? 177.248 15.449 53.053 1.00 49.58 ? 87 ILE G C 1 ATOM 3873 O O . ILE C 3 87 ? 176.367 15.336 52.191 1.00 52.62 ? 87 ILE G O 1 ATOM 3874 C CB . ILE C 3 87 ? 178.392 17.518 52.158 1.00 55.69 ? 87 ILE G CB 1 ATOM 3875 C CG1 . ILE C 3 87 ? 179.772 18.124 51.874 1.00 53.35 ? 87 ILE G CG1 1 ATOM 3876 C CG2 . ILE C 3 87 ? 177.586 18.385 53.121 1.00 50.55 ? 87 ILE G CG2 1 ATOM 3877 C CD1 . ILE C 3 87 ? 179.748 19.390 51.060 1.00 45.87 ? 87 ILE G CD1 1 ATOM 3878 N N . CYS C 3 88 ? 177.118 14.980 54.295 1.00 60.68 ? 88 CYS G N 1 ATOM 3879 C CA . CYS C 3 88 ? 175.893 14.332 54.750 1.00 61.69 ? 88 CYS G CA 1 ATOM 3880 C C . CYS C 3 88 ? 174.903 15.395 55.188 1.00 58.11 ? 88 CYS G C 1 ATOM 3881 O O . CYS C 3 88 ? 175.220 16.231 56.040 1.00 53.09 ? 88 CYS G O 1 ATOM 3882 C CB . CYS C 3 88 ? 176.175 13.368 55.898 1.00 73.61 ? 88 CYS G CB 1 ATOM 3883 S SG . CYS C 3 88 ? 177.471 12.161 55.538 1.00 109.40 ? 88 CYS G SG 1 ATOM 3884 N N . VAL C 3 89 ? 173.711 15.364 54.606 1.00 51.04 ? 89 VAL G N 1 ATOM 3885 C CA . VAL C 3 89 ? 172.645 16.305 54.921 1.00 52.92 ? 89 VAL G CA 1 ATOM 3886 C C . VAL C 3 89 ? 171.537 15.532 55.617 1.00 54.46 ? 89 VAL G C 1 ATOM 3887 O O . VAL C 3 89 ? 170.979 14.588 55.047 1.00 50.59 ? 89 VAL G O 1 ATOM 3888 C CB . VAL C 3 89 ? 172.122 17.000 53.657 1.00 46.06 ? 89 VAL G CB 1 ATOM 3889 C CG1 . VAL C 3 89 ? 171.006 17.963 54.001 1.00 50.16 ? 89 VAL G CG1 1 ATOM 3890 C CG2 . VAL C 3 89 ? 173.265 17.701 52.927 1.00 42.71 ? 89 VAL G CG2 1 ATOM 3891 N N . GLN C 3 90 ? 171.225 15.914 56.850 1.00 58.53 ? 90 GLN G N 1 ATOM 3892 C CA . GLN C 3 90 ? 170.162 15.274 57.614 1.00 57.58 ? 90 GLN G CA 1 ATOM 3893 C C . GLN C 3 90 ? 169.001 16.248 57.754 1.00 54.31 ? 90 GLN G C 1 ATOM 3894 O O . GLN C 3 90 ? 169.159 17.324 58.339 1.00 52.26 ? 90 GLN G O 1 ATOM 3895 C CB . GLN C 3 90 ? 170.658 14.833 58.986 1.00 46.36 ? 90 GLN G CB 1 ATOM 3896 C CG . GLN C 3 90 ? 169.659 13.983 59.738 1.00 44.27 ? 90 GLN G CG 1 ATOM 3897 C CD . GLN C 3 90 ? 170.144 13.631 61.128 1.00 55.55 ? 90 GLN G CD 1 ATOM 3898 O OE1 . GLN C 3 90 ? 170.828 14.427 61.773 1.00 65.74 ? 90 GLN G OE1 1 ATOM 3899 N NE2 . GLN C 3 90 ? 169.804 12.430 61.594 1.00 46.48 ? 90 GLN G NE2 1 ATOM 3900 N N . LEU C 3 91 ? 167.846 15.877 57.214 1.00 51.90 ? 91 LEU G N 1 ATOM 3901 C CA . LEU C 3 91 ? 166.702 16.763 57.288 1.00 57.22 ? 91 LEU G CA 1 ATOM 3902 C C . LEU C 3 91 ? 166.060 16.686 58.665 1.00 59.18 ? 91 LEU G C 1 ATOM 3903 O O . LEU C 3 91 ? 166.265 15.735 59.425 1.00 59.21 ? 91 LEU G O 1 ATOM 3904 C CB . LEU C 3 91 ? 165.665 16.412 56.226 1.00 63.23 ? 91 LEU G CB 1 ATOM 3905 C CG . LEU C 3 91 ? 166.176 16.393 54.792 1.00 63.32 ? 91 LEU G CG 1 ATOM 3906 C CD1 . LEU C 3 91 ? 165.012 16.141 53.846 1.00 58.77 ? 91 LEU G CD1 1 ATOM 3907 C CD2 . LEU C 3 91 ? 166.872 17.702 54.476 1.00 57.02 ? 91 LEU G CD2 1 ATOM 3908 N N . ALA C 3 92 ? 165.283 17.716 58.988 1.00 57.55 ? 92 ALA G N 1 ATOM 3909 C CA . ALA C 3 92 ? 164.455 17.687 60.183 1.00 64.40 ? 92 ALA G CA 1 ATOM 3910 C C . ALA C 3 92 ? 163.005 17.367 59.866 1.00 70.88 ? 92 ALA G C 1 ATOM 3911 O O . ALA C 3 92 ? 162.336 16.710 60.667 1.00 71.30 ? 92 ALA G O 1 ATOM 3912 C CB . ALA C 3 92 ? 164.539 19.024 60.927 1.00 52.67 ? 92 ALA G CB 1 ATOM 3913 N N . THR C 3 93 ? 162.522 17.803 58.706 1.00 77.77 ? 93 THR G N 1 ATOM 3914 C CA . THR C 3 93 ? 161.199 17.462 58.204 1.00 71.59 ? 93 THR G CA 1 ATOM 3915 C C . THR C 3 93 ? 161.366 16.590 56.970 1.00 68.37 ? 93 THR G C 1 ATOM 3916 O O . THR C 3 93 ? 162.035 16.988 56.008 1.00 71.30 ? 93 THR G O 1 ATOM 3917 C CB . THR C 3 93 ? 160.392 18.715 57.872 1.00 73.14 ? 93 THR G CB 1 ATOM 3918 O OG1 . THR C 3 93 ? 160.143 19.449 59.077 1.00 87.92 ? 93 THR G OG1 1 ATOM 3919 C CG2 . THR C 3 93 ? 159.064 18.336 57.226 1.00 60.89 ? 93 THR G CG2 1 ATOM 3920 N N . SER C 3 94 ? 160.772 15.402 57.007 1.00 71.77 ? 94 SER G N 1 ATOM 3921 C CA . SER C 3 94 ? 160.865 14.478 55.893 1.00 67.54 ? 94 SER G CA 1 ATOM 3922 C C . SER C 3 94 ? 160.062 14.988 54.700 1.00 59.60 ? 94 SER G C 1 ATOM 3923 O O . SER C 3 94 ? 159.139 15.795 54.834 1.00 56.37 ? 94 SER G O 1 ATOM 3924 C CB . SER C 3 94 ? 160.373 13.093 56.311 1.00 68.24 ? 94 SER G CB 1 ATOM 3925 O OG . SER C 3 94 ? 159.143 13.183 57.008 1.00 82.31 ? 94 SER G OG 1 ATOM 3926 N N . VAL C 3 95 ? 160.439 14.514 53.518 1.00 55.12 ? 95 VAL G N 1 ATOM 3927 C CA . VAL C 3 95 ? 159.740 14.814 52.274 1.00 55.21 ? 95 VAL G CA 1 ATOM 3928 C C . VAL C 3 95 ? 159.191 13.497 51.751 1.00 64.08 ? 95 VAL G C 1 ATOM 3929 O O . VAL C 3 95 ? 159.961 12.592 51.403 1.00 67.48 ? 95 VAL G O 1 ATOM 3930 C CB . VAL C 3 95 ? 160.658 15.477 51.239 1.00 57.49 ? 95 VAL G CB 1 ATOM 3931 C CG1 . VAL C 3 95 ? 159.965 15.553 49.892 1.00 54.28 ? 95 VAL G CG1 1 ATOM 3932 C CG2 . VAL C 3 95 ? 161.072 16.861 51.706 1.00 47.29 ? 95 VAL G CG2 1 ATOM 3933 N N . GLU C 3 96 ? 157.867 13.374 51.714 1.00 71.58 ? 96 GLU G N 1 ATOM 3934 C CA . GLU C 3 96 ? 157.265 12.158 51.193 1.00 73.41 ? 96 GLU G CA 1 ATOM 3935 C C . GLU C 3 96 ? 157.505 12.060 49.692 1.00 77.37 ? 96 GLU G C 1 ATOM 3936 O O . GLU C 3 96 ? 157.407 13.052 48.963 1.00 82.80 ? 96 GLU G O 1 ATOM 3937 C CB . GLU C 3 96 ? 155.767 12.124 51.495 1.00 61.90 ? 96 GLU G CB 1 ATOM 3938 N N . ILE C 3 97 ? 157.847 10.859 49.238 1.00 65.85 ? 97 ILE G N 1 ATOM 3939 C CA . ILE C 3 97 ? 158.003 10.556 47.821 1.00 68.45 ? 97 ILE G CA 1 ATOM 3940 C C . ILE C 3 97 ? 157.013 9.439 47.497 1.00 76.62 ? 97 ILE G C 1 ATOM 3941 O O . ILE C 3 97 ? 157.168 8.303 47.964 1.00 78.16 ? 97 ILE G O 1 ATOM 3942 C CB . ILE C 3 97 ? 159.453 10.177 47.472 1.00 64.48 ? 97 ILE G CB 1 ATOM 3943 C CG1 . ILE C 3 97 ? 159.548 9.503 46.107 1.00 63.57 ? 97 ILE G CG1 1 ATOM 3944 C CG2 . ILE C 3 97 ? 160.081 9.311 48.559 1.00 63.58 ? 97 ILE G CG2 1 ATOM 3945 C CD1 . ILE C 3 97 ? 160.977 9.268 45.677 1.00 59.70 ? 97 ILE G CD1 1 ATOM 3946 N N . ALA C 3 98 ? 155.976 9.769 46.722 1.00 76.51 ? 98 ALA G N 1 ATOM 3947 C CA . ALA C 3 98 ? 154.838 8.882 46.490 1.00 72.14 ? 98 ALA G CA 1 ATOM 3948 C C . ALA C 3 98 ? 155.013 8.146 45.166 1.00 78.06 ? 98 ALA G C 1 ATOM 3949 O O . ALA C 3 98 ? 154.985 8.762 44.096 1.00 78.52 ? 98 ALA G O 1 ATOM 3950 C CB . ALA C 3 98 ? 153.532 9.674 46.494 1.00 70.33 ? 98 ALA G CB 1 ATOM 3951 N N . CYS C 3 99 ? 155.169 6.828 45.238 1.00 80.54 ? 99 CYS G N 1 ATOM 3952 C CA . CYS C 3 99 ? 155.268 5.984 44.057 1.00 82.01 ? 99 CYS G CA 1 ATOM 3953 C C . CYS C 3 99 ? 153.907 5.363 43.775 1.00 87.15 ? 99 CYS G C 1 ATOM 3954 O O . CYS C 3 99 ? 153.294 4.765 44.666 1.00 91.08 ? 99 CYS G O 1 ATOM 3955 C CB . CYS C 3 99 ? 156.327 4.900 44.252 1.00 90.02 ? 99 CYS G CB 1 ATOM 3956 S SG . CYS C 3 99 ? 157.969 5.546 44.676 1.00 93.67 ? 99 CYS G SG 1 ATOM 3957 N N . THR C 3 100 ? 153.436 5.508 42.539 1.00 90.38 ? 100 THR G N 1 ATOM 3958 C CA . THR C 3 100 ? 152.079 5.107 42.193 1.00 92.99 ? 100 THR G CA 1 ATOM 3959 C C . THR C 3 100 ? 151.987 3.709 41.596 1.00 93.93 ? 100 THR G C 1 ATOM 3960 O O . THR C 3 100 ? 150.899 3.123 41.603 1.00 93.85 ? 100 THR G O 1 ATOM 3961 C CB . THR C 3 100 ? 151.471 6.109 41.209 1.00 91.21 ? 100 THR G CB 1 ATOM 3962 O OG1 . THR C 3 100 ? 150.219 5.604 40.734 1.00 93.79 ? 100 THR G OG1 1 ATOM 3963 C CG2 . THR C 3 100 ? 152.408 6.333 40.024 1.00 91.65 ? 100 THR G CG2 1 ATOM 3964 N N . GLY C 3 101 ? 153.088 3.163 41.083 1.00 89.95 ? 101 GLY G N 1 ATOM 3965 C CA . GLY C 3 101 ? 153.081 1.882 40.409 1.00 76.49 ? 101 GLY G CA 1 ATOM 3966 C C . GLY C 3 101 ? 153.128 1.967 38.897 1.00 80.56 ? 101 GLY G C 1 ATOM 3967 O O . GLY C 3 101 ? 153.222 0.923 38.238 1.00 73.61 ? 101 GLY G O 1 ATOM 3968 N N . ALA C 3 102 ? 153.082 3.175 38.332 1.00 91.89 ? 102 ALA G N 1 ATOM 3969 C CA . ALA C 3 102 ? 153.003 3.365 36.890 1.00 100.70 ? 102 ALA G CA 1 ATOM 3970 C C . ALA C 3 102 ? 154.363 3.516 36.223 1.00 100.44 ? 102 ALA G C 1 ATOM 3971 O O . ALA C 3 102 ? 154.436 3.474 34.990 1.00 99.97 ? 102 ALA G O 1 ATOM 3972 C CB . ALA C 3 102 ? 152.141 4.591 36.566 1.00 106.23 ? 102 ALA G CB 1 ATOM 3973 N N . GLY C 3 103 ? 155.434 3.687 36.993 1.00 90.48 ? 103 GLY G N 1 ATOM 3974 C CA . GLY C 3 103 ? 156.744 3.854 36.400 1.00 79.31 ? 103 GLY G CA 1 ATOM 3975 C C . GLY C 3 103 ? 157.366 5.189 36.747 1.00 78.36 ? 103 GLY G C 1 ATOM 3976 O O . GLY C 3 103 ? 158.275 5.660 36.055 1.00 72.20 ? 103 GLY G O 1 ATOM 3977 N N . HIS C 3 104 ? 156.879 5.809 37.819 1.00 79.91 ? 104 HIS G N 1 ATOM 3978 C CA . HIS C 3 104 ? 157.448 7.062 38.288 1.00 82.32 ? 104 HIS G CA 1 ATOM 3979 C C . HIS C 3 104 ? 156.994 7.315 39.717 1.00 80.57 ? 104 HIS G C 1 ATOM 3980 O O . HIS C 3 104 ? 155.912 6.884 40.128 1.00 87.06 ? 104 HIS G O 1 ATOM 3981 C CB . HIS C 3 104 ? 157.064 8.241 37.379 1.00 92.44 ? 104 HIS G CB 1 ATOM 3982 C CG . HIS C 3 104 ? 155.653 8.195 36.879 1.00 107.01 ? 104 HIS G CG 1 ATOM 3983 N ND1 . HIS C 3 104 ? 154.562 8.245 37.720 1.00 117.94 ? 104 HIS G ND1 1 ATOM 3984 C CD2 . HIS C 3 104 ? 155.156 8.114 35.622 1.00 108.68 ? 104 HIS G CD2 1 ATOM 3985 C CE1 . HIS C 3 104 ? 153.453 8.192 37.003 1.00 118.68 ? 104 HIS G CE1 1 ATOM 3986 N NE2 . HIS C 3 104 ? 153.785 8.112 35.727 1.00 114.98 ? 104 HIS G NE2 1 ATOM 3987 N N . CYS C 3 105 ? 157.849 8.001 40.470 1.00 76.67 ? 105 CYS G N 1 ATOM 3988 C CA . CYS C 3 105 ? 157.541 8.480 41.808 1.00 82.20 ? 105 CYS G CA 1 ATOM 3989 C C . CYS C 3 105 ? 157.483 10.003 41.783 1.00 75.55 ? 105 CYS G C 1 ATOM 3990 O O . CYS C 3 105 ? 158.096 10.651 40.933 1.00 81.57 ? 105 CYS G O 1 ATOM 3991 C CB . CYS C 3 105 ? 158.578 7.986 42.829 1.00 90.57 ? 105 CYS G CB 1 ATOM 3992 S SG . CYS C 3 105 ? 158.791 6.166 42.899 1.00 106.09 ? 105 CYS G SG 1 ATOM 3993 N N . ALA C 3 106 ? 156.721 10.576 42.714 1.00 68.92 ? 106 ALA G N 1 ATOM 3994 C CA . ALA C 3 106 ? 156.453 12.008 42.723 1.00 70.02 ? 106 ALA G CA 1 ATOM 3995 C C . ALA C 3 106 ? 156.780 12.607 44.086 1.00 68.61 ? 106 ALA G C 1 ATOM 3996 O O . ALA C 3 106 ? 156.588 11.967 45.124 1.00 75.60 ? 106 ALA G O 1 ATOM 3997 C CB . ALA C 3 106 ? 154.984 12.299 42.367 1.00 55.03 ? 106 ALA G CB 1 ATOM 3998 N N . ILE C 3 107 ? 157.278 13.847 44.071 1.00 62.43 ? 107 ILE G N 1 ATOM 3999 C CA . ILE C 3 107 ? 157.559 14.615 45.281 1.00 67.40 ? 107 ILE G CA 1 ATOM 4000 C C . ILE C 3 107 ? 156.963 16.010 45.126 1.00 71.49 ? 107 ILE G C 1 ATOM 4001 O O . ILE C 3 107 ? 156.920 16.568 44.025 1.00 66.59 ? 107 ILE G O 1 ATOM 4002 C CB . ILE C 3 107 ? 159.077 14.705 45.590 1.00 63.67 ? 107 ILE G CB 1 ATOM 4003 C CG1 . ILE C 3 107 ? 159.827 15.373 44.446 1.00 77.80 ? 107 ILE G CG1 1 ATOM 4004 C CG2 . ILE C 3 107 ? 159.683 13.338 45.822 1.00 66.54 ? 107 ILE G CG2 1 ATOM 4005 C CD1 . ILE C 3 107 ? 160.157 16.818 44.705 1.00 93.74 ? 107 ILE G CD1 1 ATOM 4006 N N . SER C 3 108 ? 156.506 16.579 46.245 1.00 76.14 ? 108 SER G N 1 ATOM 4007 C CA . SER C 3 108 ? 155.933 17.925 46.243 1.00 71.06 ? 108 SER G CA 1 ATOM 4008 C C . SER C 3 108 ? 156.990 18.957 45.869 1.00 78.84 ? 108 SER G C 1 ATOM 4009 O O . SER C 3 108 ? 158.003 19.094 46.563 1.00 72.91 ? 108 SER G O 1 ATOM 4010 C CB . SER C 3 108 ? 155.347 18.253 47.612 1.00 65.97 ? 108 SER G CB 1 ATOM 4011 O OG . SER C 3 108 ? 155.031 19.632 47.709 1.00 76.11 ? 108 SER G OG 1 ATOM 4012 N N . ARG C 3 109 ? 156.738 19.700 44.784 1.00 83.76 ? 109 ARG G N 1 ATOM 4013 C CA . ARG C 3 109 ? 157.701 20.700 44.323 1.00 77.00 ? 109 ARG G CA 1 ATOM 4014 C C . ARG C 3 109 ? 157.894 21.804 45.355 1.00 75.01 ? 109 ARG G C 1 ATOM 4015 O O . ARG C 3 109 ? 159.019 22.270 45.574 1.00 80.75 ? 109 ARG G O 1 ATOM 4016 C CB . ARG C 3 109 ? 157.249 21.292 42.986 1.00 78.89 ? 109 ARG G CB 1 ATOM 4017 C CG . ARG C 3 109 ? 158.190 22.345 42.415 1.00 73.75 ? 109 ARG G CG 1 ATOM 4018 C CD . ARG C 3 109 ? 157.767 22.786 41.016 1.00 84.71 ? 109 ARG G CD 1 ATOM 4019 N NE . ARG C 3 109 ? 157.850 21.702 40.037 1.00 93.29 ? 109 ARG G NE 1 ATOM 4020 C CZ . ARG C 3 109 ? 158.923 21.438 39.294 1.00 89.14 ? 109 ARG G CZ 1 ATOM 4021 N NH1 . ARG C 3 109 ? 158.902 20.432 38.431 1.00 87.70 1 109 ARG G NH1 1 ATOM 4022 N NH2 . ARG C 3 109 ? 160.018 22.178 39.415 1.00 83.51 ? 109 ARG G NH2 1 ATOM 4023 N N . ALA C 3 110 ? 156.811 22.233 46.005 1.00 76.33 ? 110 ALA G N 1 ATOM 4024 C CA . ALA C 3 110 ? 156.931 23.263 47.031 1.00 79.08 ? 110 ALA G CA 1 ATOM 4025 C C . ALA C 3 110 ? 157.714 22.754 48.236 1.00 79.51 ? 110 ALA G C 1 ATOM 4026 O O . ALA C 3 110 ? 158.550 23.477 48.791 1.00 82.51 ? 110 ALA G O 1 ATOM 4027 C CB . ALA C 3 110 ? 155.543 23.751 47.450 1.00 73.22 ? 110 ALA G CB 1 ATOM 4028 N N . LYS C 3 111 ? 157.465 21.509 48.651 1.00 77.87 ? 111 LYS G N 1 ATOM 4029 C CA . LYS C 3 111 ? 158.169 20.971 49.811 1.00 74.17 ? 111 LYS G CA 1 ATOM 4030 C C . LYS C 3 111 ? 159.652 20.785 49.518 1.00 83.43 ? 111 LYS G C 1 ATOM 4031 O O . LYS C 3 111 ? 160.497 21.016 50.392 1.00 88.53 ? 111 LYS G O 1 ATOM 4032 C CB . LYS C 3 111 ? 157.534 19.651 50.246 1.00 70.66 ? 111 LYS G CB 1 ATOM 4033 N N . TRP C 3 112 ? 159.991 20.381 48.291 1.00 80.63 ? 112 TRP G N 1 ATOM 4034 C CA . TRP C 3 112 ? 161.391 20.160 47.949 1.00 72.02 ? 112 TRP G CA 1 ATOM 4035 C C . TRP C 3 112 ? 162.154 21.473 47.855 1.00 74.53 ? 112 TRP G C 1 ATOM 4036 O O . TRP C 3 112 ? 163.322 21.549 48.257 1.00 68.91 ? 112 TRP G O 1 ATOM 4037 C CB . TRP C 3 112 ? 161.501 19.395 46.634 1.00 68.80 ? 112 TRP G CB 1 ATOM 4038 C CG . TRP C 3 112 ? 162.895 18.947 46.352 1.00 69.07 ? 112 TRP G CG 1 ATOM 4039 C CD1 . TRP C 3 112 ? 163.709 19.358 45.333 1.00 69.13 ? 112 TRP G CD1 1 ATOM 4040 C CD2 . TRP C 3 112 ? 163.657 18.017 47.124 1.00 68.83 ? 112 TRP G CD2 1 ATOM 4041 N NE1 . TRP C 3 112 ? 164.929 18.726 45.418 1.00 59.99 ? 112 TRP G NE1 1 ATOM 4042 C CE2 . TRP C 3 112 ? 164.920 17.898 46.509 1.00 62.79 ? 112 TRP G CE2 1 ATOM 4043 C CE3 . TRP C 3 112 ? 163.392 17.268 48.275 1.00 67.18 ? 112 TRP G CE3 1 ATOM 4044 C CZ2 . TRP C 3 112 ? 165.911 17.062 47.006 1.00 60.41 ? 112 TRP G CZ2 1 ATOM 4045 C CZ3 . TRP C 3 112 ? 164.379 16.438 48.765 1.00 61.98 ? 112 TRP G CZ3 1 ATOM 4046 C CH2 . TRP C 3 112 ? 165.622 16.342 48.132 1.00 58.19 ? 112 TRP G CH2 1 ATOM 4047 N N . ALA C 3 113 ? 161.518 22.512 47.310 1.00 81.38 ? 113 ALA G N 1 ATOM 4048 C CA . ALA C 3 113 ? 162.176 23.809 47.217 1.00 73.84 ? 113 ALA G CA 1 ATOM 4049 C C . ALA C 3 113 ? 162.454 24.380 48.601 1.00 75.78 ? 113 ALA G C 1 ATOM 4050 O O . ALA C 3 113 ? 163.526 24.947 48.844 1.00 74.50 ? 113 ALA G O 1 ATOM 4051 C CB . ALA C 3 113 ? 161.322 24.770 46.393 1.00 67.27 ? 113 ALA G CB 1 ATOM 4052 N N . ASN C 3 114 ? 161.504 24.230 49.526 1.00 80.38 ? 114 ASN G N 1 ATOM 4053 C CA . ASN C 3 114 ? 161.732 24.719 50.880 1.00 86.82 ? 114 ASN G CA 1 ATOM 4054 C C . ASN C 3 114 ? 162.853 23.945 51.559 1.00 82.07 ? 114 ASN G C 1 ATOM 4055 O O . ASN C 3 114 ? 163.666 24.529 52.286 1.00 85.48 ? 114 ASN G O 1 ATOM 4056 C CB . ASN C 3 114 ? 160.444 24.638 51.696 1.00 90.58 ? 114 ASN G CB 1 ATOM 4057 C CG . ASN C 3 114 ? 160.606 25.212 53.086 1.00 92.84 ? 114 ASN G CG 1 ATOM 4058 O OD1 . ASN C 3 114 ? 160.666 24.474 54.069 1.00 100.48 ? 114 ASN G OD1 1 ATOM 4059 N ND2 . ASN C 3 114 ? 160.697 26.537 53.176 1.00 85.03 ? 114 ASN G ND2 1 ATOM 4060 N N . THR C 3 115 ? 162.918 22.632 51.326 1.00 72.87 ? 115 THR G N 1 ATOM 4061 C CA . THR C 3 115 ? 164.030 21.844 51.846 1.00 63.88 ? 115 THR G CA 1 ATOM 4062 C C . THR C 3 115 ? 165.352 22.316 51.251 1.00 61.88 ? 115 THR G C 1 ATOM 4063 O O . THR C 3 115 ? 166.332 22.521 51.975 1.00 56.28 ? 115 THR G O 1 ATOM 4064 C CB . THR C 3 115 ? 163.804 20.359 51.555 1.00 64.94 ? 115 THR G CB 1 ATOM 4065 O OG1 . THR C 3 115 ? 162.527 19.953 52.062 1.00 66.97 ? 115 THR G OG1 1 ATOM 4066 C CG2 . THR C 3 115 ? 164.883 19.514 52.210 1.00 57.11 ? 115 THR G CG2 1 ATOM 4067 N N . LEU C 3 116 ? 165.390 22.510 49.928 1.00 64.77 ? 116 LEU G N 1 ATOM 4068 C CA . LEU C 3 116 ? 166.612 22.974 49.274 1.00 66.27 ? 116 LEU G CA 1 ATOM 4069 C C . LEU C 3 116 ? 167.069 24.317 49.832 1.00 70.82 ? 116 LEU G C 1 ATOM 4070 O O . LEU C 3 116 ? 168.270 24.536 50.032 1.00 69.92 ? 116 LEU G O 1 ATOM 4071 C CB . LEU C 3 116 ? 166.391 23.070 47.765 1.00 61.48 ? 116 LEU G CB 1 ATOM 4072 C CG . LEU C 3 116 ? 167.008 21.981 46.886 1.00 66.79 ? 116 LEU G CG 1 ATOM 4073 C CD1 . LEU C 3 116 ? 166.758 20.611 47.468 1.00 68.12 ? 116 LEU G CD1 1 ATOM 4074 C CD2 . LEU C 3 116 ? 166.459 22.071 45.467 1.00 69.36 ? 116 LEU G CD2 1 ATOM 4075 N N . LYS C 3 117 ? 166.123 25.225 50.097 1.00 68.29 ? 117 LYS G N 1 ATOM 4076 C CA . LYS C 3 117 ? 166.475 26.545 50.615 1.00 71.92 ? 117 LYS G CA 1 ATOM 4077 C C . LYS C 3 117 ? 167.141 26.452 51.985 1.00 74.13 ? 117 LYS G C 1 ATOM 4078 O O . LYS C 3 117 ? 168.106 27.175 52.263 1.00 76.13 ? 117 LYS G O 1 ATOM 4079 C CB . LYS C 3 117 ? 165.227 27.428 50.675 1.00 73.33 ? 117 LYS G CB 1 ATOM 4080 C CG . LYS C 3 117 ? 165.360 28.669 51.549 1.00 73.05 ? 117 LYS G CG 1 ATOM 4081 C CD . LYS C 3 117 ? 164.240 29.665 51.262 1.00 79.30 ? 117 LYS G CD 1 ATOM 4082 C CE . LYS C 3 117 ? 163.925 30.531 52.475 1.00 90.14 ? 117 LYS G CE 1 ATOM 4083 N NZ . LYS C 3 117 ? 163.112 29.791 53.486 1.00 98.87 1 117 LYS G NZ 1 ATOM 4084 N N . GLN C 3 118 ? 166.643 25.570 52.854 1.00 69.71 ? 118 GLN G N 1 ATOM 4085 C CA . GLN C 3 118 ? 167.284 25.383 54.153 1.00 71.13 ? 118 GLN G CA 1 ATOM 4086 C C . GLN C 3 118 ? 168.650 24.723 54.003 1.00 73.99 ? 118 GLN G C 1 ATOM 4087 O O . GLN C 3 118 ? 169.594 25.063 54.725 1.00 89.61 ? 118 GLN G O 1 ATOM 4088 C CB . GLN C 3 118 ? 166.395 24.546 55.068 1.00 72.46 ? 118 GLN G CB 1 ATOM 4089 C CG . GLN C 3 118 ? 164.966 25.022 55.196 1.00 73.64 ? 118 GLN G CG 1 ATOM 4090 C CD . GLN C 3 118 ? 164.103 23.995 55.896 1.00 80.88 ? 118 GLN G CD 1 ATOM 4091 O OE1 . GLN C 3 118 ? 164.481 23.455 56.937 1.00 84.57 ? 118 GLN G OE1 1 ATOM 4092 N NE2 . GLN C 3 118 ? 162.946 23.700 55.316 1.00 84.57 ? 118 GLN G NE2 1 ATOM 4093 N N . ILE C 3 119 ? 168.772 23.772 53.078 1.00 65.89 ? 119 ILE G N 1 ATOM 4094 C CA . ILE C 3 119 ? 170.059 23.129 52.833 1.00 62.61 ? 119 ILE G CA 1 ATOM 4095 C C . ILE C 3 119 ? 171.062 24.145 52.302 1.00 67.87 ? 119 ILE G C 1 ATOM 4096 O O . ILE C 3 119 ? 172.204 24.220 52.770 1.00 70.37 ? 119 ILE G O 1 ATOM 4097 C CB . ILE C 3 119 ? 169.886 21.942 51.872 1.00 54.19 ? 119 ILE G CB 1 ATOM 4098 C CG1 . ILE C 3 119 ? 169.005 20.877 52.526 1.00 50.12 ? 119 ILE G CG1 1 ATOM 4099 C CG2 . ILE C 3 119 ? 171.239 21.363 51.475 1.00 48.37 ? 119 ILE G CG2 1 ATOM 4100 C CD1 . ILE C 3 119 ? 168.730 19.689 51.644 1.00 52.49 ? 119 ILE G CD1 1 ATOM 4101 N N . ALA C 3 120 ? 170.641 24.957 51.329 1.00 70.06 ? 120 ALA G N 1 ATOM 4102 C CA . ALA C 3 120 ? 171.528 25.978 50.782 1.00 69.32 ? 120 ALA G CA 1 ATOM 4103 C C . ALA C 3 120 ? 171.949 26.976 51.852 1.00 72.36 ? 120 ALA G C 1 ATOM 4104 O O . ALA C 3 120 ? 173.108 27.408 51.887 1.00 70.39 ? 120 ALA G O 1 ATOM 4105 C CB . ALA C 3 120 ? 170.848 26.695 49.616 1.00 65.04 ? 120 ALA G CB 1 ATOM 4106 N N . SER C 3 121 ? 171.025 27.350 52.739 1.00 76.17 ? 121 SER G N 1 ATOM 4107 C CA . SER C 3 121 ? 171.365 28.283 53.807 1.00 69.95 ? 121 SER G CA 1 ATOM 4108 C C . SER C 3 121 ? 172.449 27.709 54.711 1.00 64.27 ? 121 SER G C 1 ATOM 4109 O O . SER C 3 121 ? 173.421 28.394 55.046 1.00 63.70 ? 121 SER G O 1 ATOM 4110 C CB . SER C 3 121 ? 170.116 28.634 54.615 1.00 64.52 ? 121 SER G CB 1 ATOM 4111 O OG . SER C 3 121 ? 170.411 29.628 55.580 1.00 69.93 ? 121 SER G OG 1 ATOM 4112 N N . LYS C 3 122 ? 172.304 26.442 55.109 1.00 65.69 ? 122 LYS G N 1 ATOM 4113 C CA . LYS C 3 122 ? 173.309 25.812 55.960 1.00 67.07 ? 122 LYS G CA 1 ATOM 4114 C C . LYS C 3 122 ? 174.635 25.646 55.225 1.00 67.65 ? 122 LYS G C 1 ATOM 4115 O O . LYS C 3 122 ? 175.706 25.844 55.812 1.00 60.40 ? 122 LYS G O 1 ATOM 4116 C CB . LYS C 3 122 ? 172.797 24.462 56.463 1.00 68.08 ? 122 LYS G CB 1 ATOM 4117 C CG . LYS C 3 122 ? 171.753 24.562 57.569 1.00 69.96 ? 122 LYS G CG 1 ATOM 4118 C CD . LYS C 3 122 ? 172.351 25.183 58.820 1.00 74.04 ? 122 LYS G CD 1 ATOM 4119 C CE . LYS C 3 122 ? 171.328 25.288 59.932 1.00 77.14 ? 122 LYS G CE 1 ATOM 4120 N NZ . LYS C 3 122 ? 171.911 25.935 61.138 1.00 91.60 1 122 LYS G NZ 1 ATOM 4121 N N . LEU C 3 123 ? 174.586 25.270 53.943 1.00 63.11 ? 123 LEU G N 1 ATOM 4122 C CA . LEU C 3 123 ? 175.807 25.224 53.147 1.00 56.04 ? 123 LEU G CA 1 ATOM 4123 C C . LEU C 3 123 ? 176.437 26.602 53.024 1.00 69.08 ? 123 LEU G C 1 ATOM 4124 O O . LEU C 3 123 ? 177.669 26.727 53.005 1.00 65.78 ? 123 LEU G O 1 ATOM 4125 C CB . LEU C 3 123 ? 175.513 24.660 51.758 1.00 54.58 ? 123 LEU G CB 1 ATOM 4126 C CG . LEU C 3 123 ? 175.139 23.183 51.707 1.00 51.05 ? 123 LEU G CG 1 ATOM 4127 C CD1 . LEU C 3 123 ? 174.684 22.836 50.308 1.00 53.88 ? 123 LEU G CD1 1 ATOM 4128 C CD2 . LEU C 3 123 ? 176.326 22.327 52.121 1.00 49.44 ? 123 LEU G CD2 1 ATOM 4129 N N . ARG C 3 124 ? 175.607 27.646 52.944 1.00 76.00 ? 124 ARG G N 1 ATOM 4130 C CA . ARG C 3 124 ? 176.121 28.999 52.774 1.00 74.61 ? 124 ARG G CA 1 ATOM 4131 C C . ARG C 3 124 ? 176.962 29.422 53.974 1.00 81.92 ? 124 ARG G C 1 ATOM 4132 O O . ARG C 3 124 ? 178.042 30.003 53.811 1.00 82.46 ? 124 ARG G O 1 ATOM 4133 C CB . ARG C 3 124 ? 174.955 29.965 52.553 1.00 71.56 ? 124 ARG G CB 1 ATOM 4134 C CG . ARG C 3 124 ? 175.328 31.245 51.842 1.00 71.87 ? 124 ARG G CG 1 ATOM 4135 C CD . ARG C 3 124 ? 174.116 32.141 51.624 1.00 77.74 ? 124 ARG G CD 1 ATOM 4136 N NE . ARG C 3 124 ? 173.229 31.635 50.579 1.00 86.17 ? 124 ARG G NE 1 ATOM 4137 C CZ . ARG C 3 124 ? 171.961 31.283 50.773 1.00 94.68 ? 124 ARG G CZ 1 ATOM 4138 N NH1 . ARG C 3 124 ? 171.415 31.391 51.978 1.00 103.06 1 124 ARG G NH1 1 ATOM 4139 N NH2 . ARG C 3 124 ? 171.234 30.831 49.757 1.00 91.04 ? 124 ARG G NH2 1 ATOM 4140 N N . GLU C 3 125 ? 176.495 29.116 55.187 1.00 84.09 ? 125 GLU G N 1 ATOM 4141 C CA . GLU C 3 125 ? 177.205 29.510 56.398 1.00 85.72 ? 125 GLU G CA 1 ATOM 4142 C C . GLU C 3 125 ? 178.398 28.612 56.706 1.00 83.31 ? 125 GLU G C 1 ATOM 4143 O O . GLU C 3 125 ? 179.226 28.980 57.548 1.00 88.63 ? 125 GLU G O 1 ATOM 4144 C CB . GLU C 3 125 ? 176.244 29.542 57.599 1.00 84.77 ? 125 GLU G CB 1 ATOM 4145 C CG . GLU C 3 125 ? 175.733 28.187 58.063 1.00 82.68 ? 125 GLU G CG 1 ATOM 4146 N N . GLN C 3 126 ? 178.518 27.461 56.045 1.00 78.22 ? 126 GLN G N 1 ATOM 4147 C CA . GLN C 3 126 ? 179.676 26.597 56.241 1.00 72.58 ? 126 GLN G CA 1 ATOM 4148 C C . GLN C 3 126 ? 180.837 26.966 55.327 1.00 76.06 ? 126 GLN G C 1 ATOM 4149 O O . GLN C 3 126 ? 181.993 26.959 55.763 1.00 71.57 ? 126 GLN G O 1 ATOM 4150 C CB . GLN C 3 126 ? 179.295 25.135 56.008 1.00 66.51 ? 126 GLN G CB 1 ATOM 4151 C CG . GLN C 3 126 ? 180.438 24.159 56.253 1.00 64.50 ? 126 GLN G CG 1 ATOM 4152 C CD . GLN C 3 126 ? 180.897 24.161 57.699 1.00 66.31 ? 126 GLN G CD 1 ATOM 4153 O OE1 . GLN C 3 126 ? 180.099 23.944 58.611 1.00 63.75 ? 126 GLN G OE1 1 ATOM 4154 N NE2 . GLN C 3 126 ? 182.186 24.412 57.916 1.00 61.31 ? 126 GLN G NE2 1 ATOM 4155 N N . TYR C 3 127 ? 180.556 27.275 54.063 1.00 78.32 ? 127 TYR G N 1 ATOM 4156 C CA . TYR C 3 127 ? 181.588 27.626 53.097 1.00 77.95 ? 127 TYR G CA 1 ATOM 4157 C C . TYR C 3 127 ? 181.733 29.129 52.913 1.00 82.08 ? 127 TYR G C 1 ATOM 4158 O O . TYR C 3 127 ? 182.512 29.563 52.058 1.00 84.14 ? 127 TYR G O 1 ATOM 4159 C CB . TYR C 3 127 ? 181.304 26.956 51.750 1.00 66.90 ? 127 TYR G CB 1 ATOM 4160 C CG . TYR C 3 127 ? 181.569 25.469 51.745 1.00 60.10 ? 127 TYR G CG 1 ATOM 4161 C CD1 . TYR C 3 127 ? 182.851 24.978 51.569 1.00 72.06 ? 127 TYR G CD1 1 ATOM 4162 C CD2 . TYR C 3 127 ? 180.537 24.555 51.918 1.00 57.32 ? 127 TYR G CD2 1 ATOM 4163 C CE1 . TYR C 3 127 ? 183.104 23.618 51.566 1.00 80.32 ? 127 TYR G CE1 1 ATOM 4164 C CE2 . TYR C 3 127 ? 180.780 23.187 51.912 1.00 68.20 ? 127 TYR G CE2 1 ATOM 4165 C CZ . TYR C 3 127 ? 182.069 22.726 51.736 1.00 72.91 ? 127 TYR G CZ 1 ATOM 4166 O OH . TYR C 3 127 ? 182.338 21.375 51.729 1.00 74.25 ? 127 TYR G OH 1 ATOM 4167 N N . GLY C 3 128 ? 181.011 29.928 53.695 1.00 85.08 ? 128 GLY G N 1 ATOM 4168 C CA . GLY C 3 128 ? 181.092 31.374 53.573 1.00 83.90 ? 128 GLY G CA 1 ATOM 4169 C C . GLY C 3 128 ? 180.781 31.891 52.188 1.00 90.45 ? 128 GLY G C 1 ATOM 4170 O O . GLY C 3 128 ? 181.328 32.921 51.778 1.00 104.11 ? 128 GLY G O 1 ATOM 4171 N N . ALA C 3 129 ? 179.917 31.201 51.450 1.00 87.47 ? 129 ALA G N 1 ATOM 4172 C CA . ALA C 3 129 ? 179.653 31.568 50.070 1.00 93.00 ? 129 ALA G CA 1 ATOM 4173 C C . ALA C 3 129 ? 178.567 32.636 50.001 1.00 100.20 ? 129 ALA G C 1 ATOM 4174 O O . ALA C 3 129 ? 178.023 33.084 51.014 1.00 92.67 ? 129 ALA G O 1 ATOM 4175 C CB . ALA C 3 129 ? 179.259 30.337 49.258 1.00 85.86 ? 129 ALA G CB 1 ATOM 4176 N N . LYS C 3 130 ? 178.259 33.055 48.778 1.00 115.47 ? 130 LYS G N 1 ATOM 4177 C CA . LYS C 3 130 ? 177.158 33.968 48.509 1.00 120.64 ? 130 LYS G CA 1 ATOM 4178 C C . LYS C 3 130 ? 175.988 33.293 47.816 1.00 115.14 ? 130 LYS G C 1 ATOM 4179 O O . LYS C 3 130 ? 174.834 33.598 48.123 1.00 119.59 ? 130 LYS G O 1 ATOM 4180 N N . THR C 3 131 ? 176.258 32.375 46.890 1.00 101.83 ? 131 THR G N 1 ATOM 4181 C CA . THR C 3 131 ? 175.205 31.694 46.153 1.00 91.71 ? 131 THR G CA 1 ATOM 4182 C C . THR C 3 131 ? 175.541 30.211 46.028 1.00 82.11 ? 131 THR G C 1 ATOM 4183 O O . THR C 3 131 ? 176.710 29.834 45.900 1.00 86.44 ? 131 THR G O 1 ATOM 4184 C CB . THR C 3 131 ? 174.987 32.341 44.767 1.00 78.39 ? 131 THR G CB 1 ATOM 4185 O OG1 . THR C 3 131 ? 174.920 31.333 43.750 1.00 73.17 ? 131 THR G OG1 1 ATOM 4186 C CG2 . THR C 3 131 ? 176.098 33.325 44.444 1.00 73.24 ? 131 THR G CG2 1 ATOM 4187 N N . ILE C 3 132 ? 174.505 29.376 46.081 1.00 59.95 ? 132 ILE G N 1 ATOM 4188 C CA . ILE C 3 132 ? 174.623 27.923 46.090 1.00 53.76 ? 132 ILE G CA 1 ATOM 4189 C C . ILE C 3 132 ? 173.837 27.379 44.906 1.00 59.36 ? 132 ILE G C 1 ATOM 4190 O O . ILE C 3 132 ? 172.634 27.638 44.784 1.00 54.83 ? 132 ILE G O 1 ATOM 4191 C CB . ILE C 3 132 ? 174.088 27.320 47.404 1.00 58.15 ? 132 ILE G CB 1 ATOM 4192 C CG1 . ILE C 3 132 ? 174.772 27.942 48.628 1.00 54.45 ? 132 ILE G CG1 1 ATOM 4193 C CG2 . ILE C 3 132 ? 174.238 25.800 47.405 1.00 61.87 ? 132 ILE G CG2 1 ATOM 4194 C CD1 . ILE C 3 132 ? 176.211 27.509 48.819 1.00 55.43 ? 132 ILE G CD1 1 ATOM 4195 N N . ILE C 3 133 ? 174.503 26.612 44.047 1.00 63.51 ? 133 ILE G N 1 ATOM 4196 C CA . ILE C 3 133 ? 173.874 26.005 42.879 1.00 60.89 ? 133 ILE G CA 1 ATOM 4197 C C . ILE C 3 133 ? 173.826 24.497 43.082 1.00 64.22 ? 133 ILE G C 1 ATOM 4198 O O . ILE C 3 133 ? 174.832 23.881 43.458 1.00 68.93 ? 133 ILE G O 1 ATOM 4199 C CB . ILE C 3 133 ? 174.626 26.353 41.582 1.00 62.25 ? 133 ILE G CB 1 ATOM 4200 C CG1 . ILE C 3 133 ? 174.836 27.862 41.465 1.00 65.77 ? 133 ILE G CG1 1 ATOM 4201 C CG2 . ILE C 3 133 ? 173.867 25.842 40.368 1.00 58.42 ? 133 ILE G CG2 1 ATOM 4202 C CD1 . ILE C 3 133 ? 175.600 28.270 40.219 1.00 56.85 ? 133 ILE G CD1 1 ATOM 4203 N N . PHE C 3 134 ? 172.658 23.905 42.842 1.00 61.00 ? 134 PHE G N 1 ATOM 4204 C CA . PHE C 3 134 ? 172.507 22.457 42.767 1.00 56.00 ? 134 PHE G CA 1 ATOM 4205 C C . PHE C 3 134 ? 172.422 22.042 41.304 1.00 53.54 ? 134 PHE G C 1 ATOM 4206 O O . PHE C 3 134 ? 171.631 22.605 40.538 1.00 57.80 ? 134 PHE G O 1 ATOM 4207 C CB . PHE C 3 134 ? 171.260 21.979 43.517 1.00 59.14 ? 134 PHE G CB 1 ATOM 4208 C CG . PHE C 3 134 ? 171.337 22.158 45.000 1.00 56.18 ? 134 PHE G CG 1 ATOM 4209 C CD1 . PHE C 3 134 ? 172.154 21.347 45.767 1.00 50.83 ? 134 PHE G CD1 1 ATOM 4210 C CD2 . PHE C 3 134 ? 170.574 23.125 45.632 1.00 59.70 ? 134 PHE G CD2 1 ATOM 4211 C CE1 . PHE C 3 134 ? 172.228 21.512 47.137 1.00 51.57 ? 134 PHE G CE1 1 ATOM 4212 C CE2 . PHE C 3 134 ? 170.640 23.295 46.998 1.00 60.57 ? 134 PHE G CE2 1 ATOM 4213 C CZ . PHE C 3 134 ? 171.468 22.487 47.755 1.00 53.53 ? 134 PHE G CZ 1 ATOM 4214 N N . LYS C 3 135 ? 173.231 21.064 40.924 1.00 47.13 ? 135 LYS G N 1 ATOM 4215 C CA . LYS C 3 135 ? 173.298 20.534 39.572 1.00 43.89 ? 135 LYS G CA 1 ATOM 4216 C C . LYS C 3 135 ? 173.189 19.019 39.627 1.00 43.00 ? 135 LYS G C 1 ATOM 4217 O O . LYS C 3 135 ? 173.461 18.404 40.666 1.00 41.42 ? 135 LYS G O 1 ATOM 4218 C CB . LYS C 3 135 ? 174.608 20.943 38.880 1.00 53.53 ? 135 LYS G CB 1 ATOM 4219 C CG . LYS C 3 135 ? 174.732 22.428 38.540 1.00 49.23 ? 135 LYS G CG 1 ATOM 4220 C CD . LYS C 3 135 ? 175.983 22.678 37.707 1.00 52.35 ? 135 LYS G CD 1 ATOM 4221 C CE . LYS C 3 135 ? 176.063 24.108 37.190 1.00 61.27 ? 135 LYS G CE 1 ATOM 4222 N NZ . LYS C 3 135 ? 177.169 24.270 36.186 1.00 66.49 1 135 LYS G NZ 1 ATOM 4223 N N . PRO C 3 136 ? 172.784 18.379 38.523 1.00 45.31 ? 136 PRO G N 1 ATOM 4224 C CA . PRO C 3 136 ? 172.608 16.917 38.547 1.00 47.84 ? 136 PRO G CA 1 ATOM 4225 C C . PRO C 3 136 ? 173.910 16.139 38.695 1.00 53.34 ? 136 PRO G C 1 ATOM 4226 O O . PRO C 3 136 ? 174.992 16.724 38.801 1.00 58.95 ? 136 PRO G O 1 ATOM 4227 C CB . PRO C 3 136 ? 171.928 16.622 37.203 1.00 53.17 ? 136 PRO G CB 1 ATOM 4228 C CG . PRO C 3 136 ? 172.218 17.808 36.348 1.00 53.45 ? 136 PRO G CG 1 ATOM 4229 C CD . PRO C 3 136 ? 172.301 18.977 37.267 1.00 44.21 ? 136 PRO G CD 1 ATOM 4230 N N . SER C 3 137 ? 173.810 14.814 38.705 1.00 56.72 ? 137 SER G N 1 ATOM 4231 C CA . SER C 3 137 ? 174.968 13.965 38.941 1.00 46.15 ? 137 SER G CA 1 ATOM 4232 C C . SER C 3 137 ? 175.987 14.102 37.812 1.00 54.77 ? 137 SER G C 1 ATOM 4233 O O . SER C 3 137 ? 175.635 14.279 36.644 1.00 56.97 ? 137 SER G O 1 ATOM 4234 C CB . SER C 3 137 ? 174.532 12.506 39.085 1.00 44.41 ? 137 SER G CB 1 ATOM 4235 O OG . SER C 3 137 ? 175.622 11.662 39.419 1.00 44.37 ? 137 SER G OG 1 ATOM 4236 N N . SER C 3 138 ? 177.269 14.024 38.177 1.00 50.58 ? 138 SER G N 1 ATOM 4237 C CA . SER C 3 138 ? 178.338 14.106 37.189 1.00 46.90 ? 138 SER G CA 1 ATOM 4238 C C . SER C 3 138 ? 178.436 12.854 36.319 1.00 41.78 ? 138 SER G C 1 ATOM 4239 O O . SER C 3 138 ? 179.139 12.873 35.306 1.00 49.48 ? 138 SER G O 1 ATOM 4240 C CB . SER C 3 138 ? 179.676 14.360 37.892 1.00 43.81 ? 138 SER G CB 1 ATOM 4241 O OG . SER C 3 138 ? 180.709 14.601 36.956 1.00 50.18 ? 138 SER G OG 1 ATOM 4242 N N . GLY C 3 139 ? 177.758 11.778 36.687 1.00 42.73 ? 139 GLY G N 1 ATOM 4243 C CA . GLY C 3 139 ? 177.796 10.529 35.957 1.00 46.46 ? 139 GLY G CA 1 ATOM 4244 C C . GLY C 3 139 ? 178.142 9.373 36.875 1.00 50.63 ? 139 GLY G C 1 ATOM 4245 O O . GLY C 3 139 ? 178.283 9.525 38.085 1.00 39.64 ? 139 GLY G O 1 ATOM 4246 N N . GLY C 3 140 ? 178.280 8.199 36.262 1.00 49.12 ? 140 GLY G N 1 ATOM 4247 C CA . GLY C 3 140 ? 178.712 7.032 36.994 1.00 44.41 ? 140 GLY G CA 1 ATOM 4248 C C . GLY C 3 140 ? 177.810 5.855 36.731 1.00 45.29 ? 140 GLY G C 1 ATOM 4249 O O . GLY C 3 140 ? 176.954 5.878 35.840 1.00 51.22 ? 140 GLY G O 1 ATOM 4250 N N . ASP C 3 141 ? 178.013 4.798 37.513 1.00 47.69 ? 141 ASP G N 1 ATOM 4251 C CA . ASP C 3 141 ? 177.257 3.574 37.325 1.00 44.95 ? 141 ASP G CA 1 ATOM 4252 C C . ASP C 3 141 ? 175.782 3.807 37.653 1.00 50.13 ? 141 ASP G C 1 ATOM 4253 O O . ASP C 3 141 ? 175.441 4.724 38.404 1.00 45.75 ? 141 ASP G O 1 ATOM 4254 C CB . ASP C 3 141 ? 177.840 2.456 38.184 1.00 44.45 ? 141 ASP G CB 1 ATOM 4255 C CG . ASP C 3 141 ? 179.097 1.857 37.568 1.00 64.64 ? 141 ASP G CG 1 ATOM 4256 O OD1 . ASP C 3 141 ? 179.417 2.241 36.418 1.00 75.70 ? 141 ASP G OD1 1 ATOM 4257 O OD2 . ASP C 3 141 ? 179.750 1.002 38.213 1.00 51.93 -1 141 ASP G OD2 1 ATOM 4258 N N . PRO C 3 142 ? 174.883 3.015 37.068 1.00 48.54 ? 142 PRO G N 1 ATOM 4259 C CA . PRO C 3 142 ? 173.451 3.344 37.180 1.00 42.98 ? 142 PRO G CA 1 ATOM 4260 C C . PRO C 3 142 ? 172.919 3.347 38.607 1.00 45.17 ? 142 PRO G C 1 ATOM 4261 O O . PRO C 3 142 ? 171.986 4.108 38.902 1.00 45.95 ? 142 PRO G O 1 ATOM 4262 C CB . PRO C 3 142 ? 172.770 2.279 36.305 1.00 44.21 ? 142 PRO G CB 1 ATOM 4263 C CG . PRO C 3 142 ? 173.851 1.333 35.860 1.00 44.71 ? 142 PRO G CG 1 ATOM 4264 C CD . PRO C 3 142 ? 175.152 2.034 36.001 1.00 38.16 ? 142 PRO G CD 1 ATOM 4265 N N . GLU C 3 143 ? 173.493 2.558 39.516 1.00 45.16 ? 143 GLU G N 1 ATOM 4266 C CA . GLU C 3 143 ? 173.011 2.590 40.894 1.00 47.46 ? 143 GLU G CA 1 ATOM 4267 C C . GLU C 3 143 ? 173.354 3.899 41.603 1.00 47.23 ? 143 GLU G C 1 ATOM 4268 O O . GLU C 3 143 ? 172.676 4.255 42.571 1.00 43.53 ? 143 GLU G O 1 ATOM 4269 C CB . GLU C 3 143 ? 173.558 1.391 41.686 1.00 44.69 ? 143 GLU G CB 1 ATOM 4270 C CG . GLU C 3 143 ? 174.927 0.890 41.236 1.00 69.64 ? 143 GLU G CG 1 ATOM 4271 C CD . GLU C 3 143 ? 174.854 -0.243 40.219 1.00 80.77 ? 143 GLU G CD 1 ATOM 4272 O OE1 . GLU C 3 143 ? 174.427 -1.362 40.586 1.00 83.64 ? 143 GLU G OE1 1 ATOM 4273 O OE2 . GLU C 3 143 ? 175.231 -0.013 39.049 1.00 83.83 -1 143 GLU G OE2 1 ATOM 4274 N N . PHE C 3 144 ? 174.367 4.638 41.143 1.00 45.09 ? 144 PHE G N 1 ATOM 4275 C CA . PHE C 3 144 ? 174.776 5.866 41.819 1.00 35.34 ? 144 PHE G CA 1 ATOM 4276 C C . PHE C 3 144 ? 174.454 7.134 41.052 1.00 39.06 ? 144 PHE G C 1 ATOM 4277 O O . PHE C 3 144 ? 174.271 8.183 41.672 1.00 45.66 ? 144 PHE G O 1 ATOM 4278 C CB . PHE C 3 144 ? 176.280 5.842 42.124 1.00 39.99 ? 144 PHE G CB 1 ATOM 4279 C CG . PHE C 3 144 ? 176.666 4.821 43.155 1.00 47.18 ? 144 PHE G CG 1 ATOM 4280 C CD1 . PHE C 3 144 ? 176.596 5.121 44.505 1.00 38.75 ? 144 PHE G CD1 1 ATOM 4281 C CD2 . PHE C 3 144 ? 177.082 3.556 42.773 1.00 46.27 ? 144 PHE G CD2 1 ATOM 4282 C CE1 . PHE C 3 144 ? 176.936 4.178 45.452 1.00 45.40 ? 144 PHE G CE1 1 ATOM 4283 C CE2 . PHE C 3 144 ? 177.430 2.610 43.712 1.00 39.76 ? 144 PHE G CE2 1 ATOM 4284 C CZ . PHE C 3 144 ? 177.354 2.914 45.050 1.00 41.72 ? 144 PHE G CZ 1 ATOM 4285 N N . VAL C 3 145 ? 174.398 7.079 39.722 1.00 34.65 ? 145 VAL G N 1 ATOM 4286 C CA . VAL C 3 145 ? 174.006 8.270 38.982 1.00 38.15 ? 145 VAL G CA 1 ATOM 4287 C C . VAL C 3 145 ? 172.507 8.486 39.127 1.00 43.39 ? 145 VAL G C 1 ATOM 4288 O O . VAL C 3 145 ? 172.030 9.625 39.095 1.00 48.16 ? 145 VAL G O 1 ATOM 4289 C CB . VAL C 3 145 ? 174.448 8.160 37.505 1.00 38.27 ? 145 VAL G CB 1 ATOM 4290 C CG1 . VAL C 3 145 ? 173.661 7.072 36.775 1.00 46.23 ? 145 VAL G CG1 1 ATOM 4291 C CG2 . VAL C 3 145 ? 174.288 9.486 36.798 1.00 39.72 ? 145 VAL G CG2 1 ATOM 4292 N N . ASN C 3 146 ? 171.748 7.410 39.315 1.00 39.56 ? 146 ASN G N 1 ATOM 4293 C CA . ASN C 3 146 ? 170.347 7.507 39.688 1.00 49.84 ? 146 ASN G CA 1 ATOM 4294 C C . ASN C 3 146 ? 170.199 7.438 41.201 1.00 56.46 ? 146 ASN G C 1 ATOM 4295 O O . ASN C 3 146 ? 171.062 6.919 41.915 1.00 55.99 ? 146 ASN G O 1 ATOM 4296 C CB . ASN C 3 146 ? 169.519 6.381 39.065 1.00 42.72 ? 146 ASN G CB 1 ATOM 4297 C CG . ASN C 3 146 ? 169.615 6.346 37.564 1.00 45.03 ? 146 ASN G CG 1 ATOM 4298 O OD1 . ASN C 3 146 ? 168.945 7.108 36.871 1.00 51.36 ? 146 ASN G OD1 1 ATOM 4299 N ND2 . ASN C 3 146 ? 170.438 5.444 37.048 1.00 48.63 ? 146 ASN G ND2 1 ATOM 4300 N N . HIS C 3 147 ? 169.084 7.977 41.687 1.00 52.07 ? 147 HIS G N 1 ATOM 4301 C CA . HIS C 3 147 ? 168.618 7.636 43.023 1.00 48.90 ? 147 HIS G CA 1 ATOM 4302 C C . HIS C 3 147 ? 168.101 6.205 42.994 1.00 47.82 ? 147 HIS G C 1 ATOM 4303 O O . HIS C 3 147 ? 167.063 5.927 42.386 1.00 45.08 ? 147 HIS G O 1 ATOM 4304 C CB . HIS C 3 147 ? 167.522 8.590 43.483 1.00 45.39 ? 147 HIS G CB 1 ATOM 4305 C CG . HIS C 3 147 ? 166.793 8.108 44.698 1.00 51.50 ? 147 HIS G CG 1 ATOM 4306 N ND1 . HIS C 3 147 ? 167.440 7.783 45.871 1.00 55.39 ? 147 HIS G ND1 1 ATOM 4307 C CD2 . HIS C 3 147 ? 165.478 7.870 44.916 1.00 51.92 ? 147 HIS G CD2 1 ATOM 4308 C CE1 . HIS C 3 147 ? 166.554 7.378 46.763 1.00 57.87 ? 147 HIS G CE1 1 ATOM 4309 N NE2 . HIS C 3 147 ? 165.356 7.421 46.209 1.00 55.49 ? 147 HIS G NE2 1 ATOM 4310 N N . SER C 3 148 ? 168.827 5.294 43.632 1.00 39.76 ? 148 SER G N 1 ATOM 4311 C CA . SER C 3 148 ? 168.481 3.883 43.647 1.00 43.07 ? 148 SER G CA 1 ATOM 4312 C C . SER C 3 148 ? 168.108 3.447 45.056 1.00 49.04 ? 148 SER G C 1 ATOM 4313 O O . SER C 3 148 ? 168.576 4.018 46.042 1.00 46.39 ? 148 SER G O 1 ATOM 4314 C CB . SER C 3 148 ? 169.641 3.034 43.135 1.00 51.40 ? 148 SER G CB 1 ATOM 4315 O OG . SER C 3 148 ? 169.980 3.414 41.812 1.00 62.60 ? 148 SER G OG 1 ATOM 4316 N N . PHE C 3 149 ? 167.262 2.426 45.151 1.00 46.87 ? 149 PHE G N 1 ATOM 4317 C CA . PHE C 3 149 ? 166.893 1.952 46.474 1.00 47.33 ? 149 PHE G CA 1 ATOM 4318 C C . PHE C 3 149 ? 166.333 0.540 46.389 1.00 48.47 ? 149 PHE G C 1 ATOM 4319 O O . PHE C 3 149 ? 165.798 0.122 45.356 1.00 44.39 ? 149 PHE G O 1 ATOM 4320 C CB . PHE C 3 149 ? 165.887 2.894 47.148 1.00 39.97 ? 149 PHE G CB 1 ATOM 4321 C CG . PHE C 3 149 ? 164.573 3.009 46.423 1.00 47.10 ? 149 PHE G CG 1 ATOM 4322 C CD1 . PHE C 3 149 ? 164.427 3.873 45.348 1.00 51.90 ? 149 PHE G CD1 1 ATOM 4323 C CD2 . PHE C 3 149 ? 163.476 2.267 46.832 1.00 50.78 ? 149 PHE G CD2 1 ATOM 4324 C CE1 . PHE C 3 149 ? 163.214 3.984 44.689 1.00 52.65 ? 149 PHE G CE1 1 ATOM 4325 C CE2 . PHE C 3 149 ? 162.257 2.375 46.177 1.00 58.77 ? 149 PHE G CE2 1 ATOM 4326 C CZ . PHE C 3 149 ? 162.127 3.235 45.105 1.00 52.45 ? 149 PHE G CZ 1 ATOM 4327 N N A ASN C 3 150 ? 166.449 -0.187 47.493 0.51 46.18 ? 150 ASN G N 1 ATOM 4328 N N B ASN C 3 150 ? 166.512 -0.197 47.479 0.49 46.14 ? 150 ASN G N 1 ATOM 4329 C CA A ASN C 3 150 ? 165.941 -1.547 47.591 0.51 47.62 ? 150 ASN G CA 1 ATOM 4330 C CA B ASN C 3 150 ? 165.929 -1.517 47.625 0.49 47.78 ? 150 ASN G CA 1 ATOM 4331 C C A ASN C 3 150 ? 164.668 -1.554 48.430 0.51 47.86 ? 150 ASN G C 1 ATOM 4332 C C B ASN C 3 150 ? 164.577 -1.391 48.315 0.49 47.76 ? 150 ASN G C 1 ATOM 4333 O O A ASN C 3 150 ? 164.596 -0.902 49.474 0.51 54.08 ? 150 ASN G O 1 ATOM 4334 O O B ASN C 3 150 ? 164.350 -0.481 49.117 0.49 49.98 ? 150 ASN G O 1 ATOM 4335 C CB A ASN C 3 150 ? 166.996 -2.477 48.196 0.51 40.26 ? 150 ASN G CB 1 ATOM 4336 C CB B ASN C 3 150 ? 166.860 -2.453 48.412 0.49 40.43 ? 150 ASN G CB 1 ATOM 4337 C CG A ASN C 3 150 ? 166.547 -3.927 48.240 0.51 53.81 ? 150 ASN G CG 1 ATOM 4338 C CG B ASN C 3 150 ? 166.908 -2.144 49.911 0.49 40.60 ? 150 ASN G CG 1 ATOM 4339 O OD1 A ASN C 3 150 ? 166.533 -4.624 47.221 0.51 50.13 ? 150 ASN G OD1 1 ATOM 4340 O OD1 B ASN C 3 150 ? 166.817 -0.991 50.337 0.49 40.97 ? 150 ASN G OD1 1 ATOM 4341 N ND2 A ASN C 3 150 ? 166.194 -4.395 49.432 0.51 58.59 ? 150 ASN G ND2 1 ATOM 4342 N ND2 B ASN C 3 150 ? 167.065 -3.189 50.715 0.49 46.84 ? 150 ASN G ND2 1 ATOM 4343 N N . CYS C 3 151 ? 163.665 -2.289 47.962 1.00 43.88 ? 151 CYS G N 1 ATOM 4344 C CA . CYS C 3 151 ? 162.357 -2.331 48.606 1.00 61.03 ? 151 CYS G CA 1 ATOM 4345 C C . CYS C 3 151 ? 161.732 -3.674 48.275 1.00 64.20 ? 151 CYS G C 1 ATOM 4346 O O . CYS C 3 151 ? 161.578 -4.009 47.095 1.00 60.50 ? 151 CYS G O 1 ATOM 4347 C CB . CYS C 3 151 ? 161.461 -1.177 48.137 1.00 73.92 ? 151 CYS G CB 1 ATOM 4348 S SG . CYS C 3 151 ? 159.733 -1.257 48.708 1.00 94.04 ? 151 CYS G SG 1 ATOM 4349 N N . GLY C 3 152 ? 161.395 -4.441 49.307 1.00 71.50 ? 152 GLY G N 1 ATOM 4350 C CA . GLY C 3 152 ? 160.785 -5.746 49.100 1.00 79.74 ? 152 GLY G CA 1 ATOM 4351 C C . GLY C 3 152 ? 161.595 -6.673 48.221 1.00 86.23 ? 152 GLY G C 1 ATOM 4352 O O . GLY C 3 152 ? 161.024 -7.394 47.393 1.00 91.99 ? 152 GLY G O 1 ATOM 4353 N N . GLY C 3 153 ? 162.918 -6.661 48.371 1.00 89.19 ? 153 GLY G N 1 ATOM 4354 C CA . GLY C 3 153 ? 163.763 -7.561 47.612 1.00 91.89 ? 153 GLY G CA 1 ATOM 4355 C C . GLY C 3 153 ? 163.932 -7.209 46.152 1.00 88.77 ? 153 GLY G C 1 ATOM 4356 O O . GLY C 3 153 ? 164.370 -8.053 45.367 1.00 84.18 ? 153 GLY G O 1 ATOM 4357 N N . GLU C 3 154 ? 163.589 -5.985 45.761 1.00 81.47 ? 154 GLU G N 1 ATOM 4358 C CA . GLU C 3 154 ? 163.771 -5.520 44.396 1.00 73.15 ? 154 GLU G CA 1 ATOM 4359 C C . GLU C 3 154 ? 164.524 -4.197 44.415 1.00 64.60 ? 154 GLU G C 1 ATOM 4360 O O . GLU C 3 154 ? 164.340 -3.376 45.316 1.00 73.55 ? 154 GLU G O 1 ATOM 4361 C CB . GLU C 3 154 ? 162.427 -5.359 43.683 1.00 75.02 ? 154 GLU G CB 1 ATOM 4362 C CG . GLU C 3 154 ? 162.549 -5.081 42.199 1.00 86.78 ? 154 GLU G CG 1 ATOM 4363 C CD . GLU C 3 154 ? 161.249 -5.308 41.455 1.00 106.84 ? 154 GLU G CD 1 ATOM 4364 O OE1 . GLU C 3 154 ? 161.250 -5.185 40.212 1.00 116.11 ? 154 GLU G OE1 1 ATOM 4365 O OE2 . GLU C 3 154 ? 160.228 -5.616 42.111 1.00 112.81 -1 154 GLU G OE2 1 ATOM 4366 N N . PHE C 3 155 ? 165.384 -3.998 43.420 1.00 58.62 ? 155 PHE G N 1 ATOM 4367 C CA . PHE C 3 155 ? 166.214 -2.803 43.318 1.00 41.11 ? 155 PHE G CA 1 ATOM 4368 C C . PHE C 3 155 ? 165.643 -1.892 42.238 1.00 43.51 ? 155 PHE G C 1 ATOM 4369 O O . PHE C 3 155 ? 165.301 -2.362 41.147 1.00 42.85 ? 155 PHE G O 1 ATOM 4370 C CB . PHE C 3 155 ? 167.664 -3.180 43.001 1.00 40.14 ? 155 PHE G CB 1 ATOM 4371 C CG . PHE C 3 155 ? 168.672 -2.170 43.477 1.00 56.13 ? 155 PHE G CG 1 ATOM 4372 C CD1 . PHE C 3 155 ? 169.423 -1.439 42.570 1.00 53.71 ? 155 PHE G CD1 1 ATOM 4373 C CD2 . PHE C 3 155 ? 168.867 -1.951 44.835 1.00 41.40 ? 155 PHE G CD2 1 ATOM 4374 C CE1 . PHE C 3 155 ? 170.352 -0.510 43.003 1.00 51.46 ? 155 PHE G CE1 1 ATOM 4375 C CE2 . PHE C 3 155 ? 169.786 -1.014 45.274 1.00 44.07 ? 155 PHE G CE2 1 ATOM 4376 C CZ . PHE C 3 155 ? 170.534 -0.293 44.355 1.00 48.71 ? 155 PHE G CZ 1 ATOM 4377 N N . PHE C 3 156 ? 165.537 -0.595 42.539 1.00 46.00 ? 156 PHE G N 1 ATOM 4378 C CA . PHE C 3 156 ? 164.923 0.369 41.633 1.00 52.75 ? 156 PHE G CA 1 ATOM 4379 C C . PHE C 3 156 ? 165.870 1.520 41.331 1.00 54.26 ? 156 PHE G C 1 ATOM 4380 O O . PHE C 3 156 ? 166.764 1.842 42.116 1.00 68.45 ? 156 PHE G O 1 ATOM 4381 C CB . PHE C 3 156 ? 163.618 0.937 42.200 1.00 45.91 ? 156 PHE G CB 1 ATOM 4382 C CG . PHE C 3 156 ? 162.574 -0.098 42.457 1.00 45.97 ? 156 PHE G CG 1 ATOM 4383 C CD1 . PHE C 3 156 ? 161.755 -0.545 41.433 1.00 57.69 ? 156 PHE G CD1 1 ATOM 4384 C CD2 . PHE C 3 156 ? 162.405 -0.622 43.727 1.00 51.64 ? 156 PHE G CD2 1 ATOM 4385 C CE1 . PHE C 3 156 ? 160.777 -1.505 41.673 1.00 56.03 ? 156 PHE G CE1 1 ATOM 4386 C CE2 . PHE C 3 156 ? 161.433 -1.575 43.978 1.00 55.33 ? 156 PHE G CE2 1 ATOM 4387 C CZ . PHE C 3 156 ? 160.619 -2.021 42.945 1.00 57.54 ? 156 PHE G CZ 1 ATOM 4388 N N . TYR C 3 157 ? 165.645 2.148 40.178 1.00 47.63 ? 157 TYR G N 1 ATOM 4389 C CA . TYR C 3 157 ? 166.488 3.225 39.670 1.00 48.96 ? 157 TYR G CA 1 ATOM 4390 C C . TYR C 3 157 ? 165.602 4.378 39.223 1.00 53.20 ? 157 TYR G C 1 ATOM 4391 O O . TYR C 3 157 ? 164.788 4.213 38.307 1.00 48.18 ? 157 TYR G O 1 ATOM 4392 C CB . TYR C 3 157 ? 167.338 2.745 38.492 1.00 49.67 ? 157 TYR G CB 1 ATOM 4393 C CG . TYR C 3 157 ? 168.229 1.560 38.768 1.00 44.36 ? 157 TYR G CG 1 ATOM 4394 C CD1 . TYR C 3 157 ? 167.731 0.265 38.726 1.00 38.44 ? 157 TYR G CD1 1 ATOM 4395 C CD2 . TYR C 3 157 ? 169.585 1.736 39.029 1.00 44.35 ? 157 TYR G CD2 1 ATOM 4396 C CE1 . TYR C 3 157 ? 168.557 -0.822 38.958 1.00 49.60 ? 157 TYR G CE1 1 ATOM 4397 C CE2 . TYR C 3 157 ? 170.420 0.654 39.266 1.00 45.97 ? 157 TYR G CE2 1 ATOM 4398 C CZ . TYR C 3 157 ? 169.902 -0.622 39.227 1.00 47.88 ? 157 TYR G CZ 1 ATOM 4399 O OH . TYR C 3 157 ? 170.730 -1.699 39.464 1.00 54.42 ? 157 TYR G OH 1 ATOM 4400 N N . CYS C 3 158 ? 165.772 5.546 39.843 1.00 56.88 ? 158 CYS G N 1 ATOM 4401 C CA . CYS C 3 158 ? 164.997 6.737 39.504 1.00 61.06 ? 158 CYS G CA 1 ATOM 4402 C C . CYS C 3 158 ? 165.933 7.876 39.125 1.00 60.22 ? 158 CYS G C 1 ATOM 4403 O O . CYS C 3 158 ? 166.854 8.206 39.880 1.00 58.93 ? 158 CYS G O 1 ATOM 4404 C CB . CYS C 3 158 ? 164.101 7.167 40.664 1.00 62.46 ? 158 CYS G CB 1 ATOM 4405 S SG . CYS C 3 158 ? 162.995 5.878 41.220 1.00 85.84 ? 158 CYS G SG 1 ATOM 4406 N N . ALA C 3 159 ? 165.689 8.477 37.963 1.00 53.76 ? 159 ALA G N 1 ATOM 4407 C CA . ALA C 3 159 ? 166.491 9.608 37.522 1.00 48.77 ? 159 ALA G CA 1 ATOM 4408 C C . ALA C 3 159 ? 166.201 10.828 38.390 1.00 54.65 ? 159 ALA G C 1 ATOM 4409 O O . ALA C 3 159 ? 165.046 11.246 38.527 1.00 58.49 ? 159 ALA G O 1 ATOM 4410 C CB . ALA C 3 159 ? 166.208 9.908 36.053 1.00 38.79 ? 159 ALA G CB 1 ATOM 4411 N N . SER C 3 160 ? 167.250 11.398 38.982 1.00 55.21 ? 160 SER G N 1 ATOM 4412 C CA . SER C 3 160 ? 167.107 12.483 39.945 1.00 44.32 ? 160 SER G CA 1 ATOM 4413 C C . SER C 3 160 ? 167.433 13.843 39.354 1.00 48.07 ? 160 SER G C 1 ATOM 4414 O O . SER C 3 160 ? 167.561 14.814 40.107 1.00 54.67 ? 160 SER G O 1 ATOM 4415 C CB . SER C 3 160 ? 167.994 12.232 41.162 1.00 47.92 ? 160 SER G CB 1 ATOM 4416 O OG . SER C 3 160 ? 169.338 12.014 40.757 1.00 54.68 ? 160 SER G OG 1 ATOM 4417 N N . THR C 3 161 ? 167.561 13.935 38.026 1.00 47.19 ? 161 THR G N 1 ATOM 4418 C CA . THR C 3 161 ? 167.919 15.197 37.382 1.00 57.89 ? 161 THR G CA 1 ATOM 4419 C C . THR C 3 161 ? 167.052 16.355 37.868 1.00 61.62 ? 161 THR G C 1 ATOM 4420 O O . THR C 3 161 ? 167.548 17.467 38.086 1.00 64.26 ? 161 THR G O 1 ATOM 4421 C CB . THR C 3 161 ? 167.796 15.053 35.864 1.00 61.08 ? 161 THR G CB 1 ATOM 4422 O OG1 . THR C 3 161 ? 168.498 13.882 35.440 1.00 74.05 ? 161 THR G OG1 1 ATOM 4423 C CG2 . THR C 3 161 ? 168.370 16.269 35.157 1.00 52.96 ? 161 THR G CG2 1 ATOM 4424 N N . GLN C 3 162 ? 165.757 16.112 38.056 1.00 54.53 ? 162 GLN G N 1 ATOM 4425 C CA . GLN C 3 162 ? 164.837 17.197 38.367 1.00 60.67 ? 162 GLN G CA 1 ATOM 4426 C C . GLN C 3 162 ? 164.920 17.661 39.816 1.00 60.05 ? 162 GLN G C 1 ATOM 4427 O O . GLN C 3 162 ? 164.393 18.731 40.137 1.00 63.58 ? 162 GLN G O 1 ATOM 4428 C CB . GLN C 3 162 ? 163.405 16.772 38.033 1.00 59.69 ? 162 GLN G CB 1 ATOM 4429 C CG . GLN C 3 162 ? 163.139 16.574 36.548 1.00 56.79 ? 162 GLN G CG 1 ATOM 4430 C CD . GLN C 3 162 ? 161.669 16.318 36.259 1.00 82.26 ? 162 GLN G CD 1 ATOM 4431 O OE1 . GLN C 3 162 ? 161.253 15.168 36.106 1.00 85.66 ? 162 GLN G OE1 1 ATOM 4432 N NE2 . GLN C 3 162 ? 160.873 17.390 36.189 1.00 79.31 ? 162 GLN G NE2 1 ATOM 4433 N N . LEU C 3 163 ? 165.566 16.896 40.691 1.00 56.66 ? 163 LEU G N 1 ATOM 4434 C CA . LEU C 3 163 ? 165.728 17.285 42.087 1.00 53.10 ? 163 LEU G CA 1 ATOM 4435 C C . LEU C 3 163 ? 166.897 18.240 42.312 1.00 61.35 ? 163 LEU G C 1 ATOM 4436 O O . LEU C 3 163 ? 166.887 18.998 43.290 1.00 62.65 ? 163 LEU G O 1 ATOM 4437 C CB . LEU C 3 163 ? 165.924 16.036 42.953 1.00 58.08 ? 163 LEU G CB 1 ATOM 4438 C CG . LEU C 3 163 ? 164.718 15.360 43.607 1.00 62.50 ? 163 LEU G CG 1 ATOM 4439 C CD1 . LEU C 3 163 ? 163.505 15.319 42.687 1.00 69.31 ? 163 LEU G CD1 1 ATOM 4440 C CD2 . LEU C 3 163 ? 165.107 13.952 44.043 1.00 46.76 ? 163 LEU G CD2 1 ATOM 4441 N N . PHE C 3 164 ? 167.906 18.229 41.443 1.00 61.60 ? 164 PHE G N 1 ATOM 4442 C CA . PHE C 3 164 ? 169.115 19.035 41.625 1.00 62.60 ? 164 PHE G CA 1 ATOM 4443 C C . PHE C 3 164 ? 169.298 19.930 40.403 1.00 60.41 ? 164 PHE G C 1 ATOM 4444 O O . PHE C 3 164 ? 170.114 19.644 39.524 1.00 56.79 ? 164 PHE G O 1 ATOM 4445 C CB . PHE C 3 164 ? 170.335 18.146 41.854 1.00 58.78 ? 164 PHE G CB 1 ATOM 4446 C CG . PHE C 3 164 ? 170.151 17.131 42.943 1.00 51.96 ? 164 PHE G CG 1 ATOM 4447 C CD1 . PHE C 3 164 ? 170.079 17.520 44.272 1.00 51.18 ? 164 PHE G CD1 1 ATOM 4448 C CD2 . PHE C 3 164 ? 170.062 15.785 42.639 1.00 52.57 ? 164 PHE G CD2 1 ATOM 4449 C CE1 . PHE C 3 164 ? 169.921 16.582 45.279 1.00 54.23 ? 164 PHE G CE1 1 ATOM 4450 C CE2 . PHE C 3 164 ? 169.901 14.841 43.639 1.00 53.01 ? 164 PHE G CE2 1 ATOM 4451 C CZ . PHE C 3 164 ? 169.833 15.239 44.962 1.00 49.78 ? 164 PHE G CZ 1 ATOM 4452 N N . ALA C 3 165 ? 168.547 21.031 40.365 1.00 62.53 ? 165 ALA G N 1 ATOM 4453 C CA . ALA C 3 165 ? 168.634 21.973 39.258 1.00 58.70 ? 165 ALA G CA 1 ATOM 4454 C C . ALA C 3 165 ? 168.111 23.347 39.665 1.00 63.29 ? 165 ALA G C 1 ATOM 4455 O O . ALA C 3 165 ? 167.130 23.835 39.096 1.00 67.05 ? 165 ALA G O 1 ATOM 4456 C CB . ALA C 3 165 ? 167.859 21.442 38.051 1.00 58.36 ? 165 ALA G CB 1 ATOM 4457 N N . SER C 3 166 ? 168.764 23.982 40.637 1.00 62.79 ? 166 SER G N 1 ATOM 4458 C CA . SER C 3 166 ? 168.281 25.245 41.176 1.00 65.81 ? 166 SER G CA 1 ATOM 4459 C C . SER C 3 166 ? 169.454 26.080 41.671 1.00 70.67 ? 166 SER G C 1 ATOM 4460 O O . SER C 3 166 ? 170.547 25.567 41.920 1.00 78.76 ? 166 SER G O 1 ATOM 4461 C CB . SER C 3 166 ? 167.272 25.018 42.312 1.00 58.95 ? 166 SER G CB 1 ATOM 4462 O OG . SER C 3 166 ? 167.779 24.115 43.286 1.00 61.84 ? 166 SER G OG 1 ATOM 4463 N N . THR C 3 167 ? 169.199 27.382 41.824 1.00 69.98 ? 167 THR G N 1 ATOM 4464 C CA . THR C 3 167 ? 170.165 28.351 42.327 1.00 73.29 ? 167 THR G CA 1 ATOM 4465 C C . THR C 3 167 ? 169.549 29.099 43.505 1.00 73.92 ? 167 THR G C 1 ATOM 4466 O O . THR C 3 167 ? 168.345 29.373 43.512 1.00 78.04 ? 167 THR G O 1 ATOM 4467 C CB . THR C 3 167 ? 170.589 29.344 41.223 1.00 72.31 ? 167 THR G CB 1 ATOM 4468 O OG1 . THR C 3 167 ? 171.221 28.631 40.151 1.00 87.08 ? 167 THR G OG1 1 ATOM 4469 C CG2 . THR C 3 167 ? 171.554 30.387 41.765 1.00 54.15 ? 167 THR G CG2 1 ATOM 4470 N N . TRP C 3 168 ? 170.373 29.421 44.503 1.00 67.89 ? 168 TRP G N 1 ATOM 4471 C CA . TRP C 3 168 ? 169.898 30.010 45.748 1.00 64.98 ? 168 TRP G CA 1 ATOM 4472 C C . TRP C 3 168 ? 170.851 31.103 46.201 1.00 73.19 ? 168 TRP G C 1 ATOM 4473 O O . TRP C 3 168 ? 172.050 30.856 46.356 1.00 69.06 ? 168 TRP G O 1 ATOM 4474 C CB . TRP C 3 168 ? 169.770 28.942 46.834 1.00 67.86 ? 168 TRP G CB 1 ATOM 4475 C CG . TRP C 3 168 ? 168.872 27.821 46.420 1.00 74.40 ? 168 TRP G CG 1 ATOM 4476 C CD1 . TRP C 3 168 ? 169.239 26.661 45.805 1.00 69.93 ? 168 TRP G CD1 1 ATOM 4477 C CD2 . TRP C 3 168 ? 167.449 27.767 46.561 1.00 70.80 ? 168 TRP G CD2 1 ATOM 4478 N NE1 . TRP C 3 168 ? 168.135 25.880 45.569 1.00 64.52 ? 168 TRP G NE1 1 ATOM 4479 C CE2 . TRP C 3 168 ? 167.023 26.537 46.024 1.00 65.59 ? 168 TRP G CE2 1 ATOM 4480 C CE3 . TRP C 3 168 ? 166.498 28.636 47.098 1.00 68.90 ? 168 TRP G CE3 1 ATOM 4481 C CZ2 . TRP C 3 168 ? 165.686 26.152 46.008 1.00 65.76 ? 168 TRP G CZ2 1 ATOM 4482 C CZ3 . TRP C 3 168 ? 165.173 28.252 47.083 1.00 76.20 ? 168 TRP G CZ3 1 ATOM 4483 C CH2 . TRP C 3 168 ? 164.778 27.022 46.539 1.00 71.18 ? 168 TRP G CH2 1 ATOM 4484 N N . PHE C 3 169 ? 170.316 32.301 46.425 1.00 82.16 ? 169 PHE G N 1 ATOM 4485 C CA . PHE C 3 169 ? 171.128 33.429 46.866 1.00 84.86 ? 169 PHE G CA 1 ATOM 4486 C C . PHE C 3 169 ? 170.962 33.675 48.363 1.00 84.61 ? 169 PHE G C 1 ATOM 4487 O O . PHE C 3 169 ? 171.268 34.761 48.860 1.00 93.58 ? 169 PHE G O 1 ATOM 4488 C CB . PHE C 3 169 ? 170.764 34.690 46.086 1.00 94.03 ? 169 PHE G CB 1 ATOM 4489 C CG . PHE C 3 169 ? 170.943 34.561 44.600 1.00 97.57 ? 169 PHE G CG 1 ATOM 4490 C CD1 . PHE C 3 169 ? 172.122 34.965 43.993 1.00 106.41 ? 169 PHE G CD1 1 ATOM 4491 C CD2 . PHE C 3 169 ? 169.929 34.048 43.808 1.00 93.11 ? 169 PHE G CD2 1 ATOM 4492 C CE1 . PHE C 3 169 ? 172.288 34.854 42.623 1.00 105.29 ? 169 PHE G CE1 1 ATOM 4493 C CE2 . PHE C 3 169 ? 170.088 33.933 42.439 1.00 94.56 ? 169 PHE G CE2 1 ATOM 4494 C CZ . PHE C 3 169 ? 171.269 34.337 41.846 1.00 100.61 ? 169 PHE G CZ 1 ATOM 4495 N N . GLN D 1 1 ? 204.480 -4.211 43.243 1.00 81.76 ? 1 GLN H N 1 ATOM 4496 C CA . GLN D 1 1 ? 204.914 -3.097 42.407 1.00 77.97 ? 1 GLN H CA 1 ATOM 4497 C C . GLN D 1 1 ? 203.750 -2.375 41.719 1.00 74.11 ? 1 GLN H C 1 ATOM 4498 O O . GLN D 1 1 ? 203.219 -2.849 40.715 1.00 79.14 ? 1 GLN H O 1 ATOM 4499 C CB . GLN D 1 1 ? 205.901 -3.595 41.357 1.00 87.66 ? 1 GLN H CB 1 ATOM 4500 C CG . GLN D 1 1 ? 205.506 -4.927 40.737 1.00 100.25 ? 1 GLN H CG 1 ATOM 4501 C CD . GLN D 1 1 ? 206.166 -5.165 39.391 1.00 115.72 ? 1 GLN H CD 1 ATOM 4502 O OE1 . GLN D 1 1 ? 206.833 -4.283 38.846 1.00 120.25 ? 1 GLN H OE1 1 ATOM 4503 N NE2 . GLN D 1 1 ? 205.983 -6.364 38.846 1.00 119.82 ? 1 GLN H NE2 1 ATOM 4504 N N . VAL D 1 2 ? 203.359 -1.223 42.265 1.00 68.51 ? 2 VAL H N 1 ATOM 4505 C CA . VAL D 1 2 ? 202.338 -0.392 41.633 1.00 63.80 ? 2 VAL H CA 1 ATOM 4506 C C . VAL D 1 2 ? 202.874 0.167 40.321 1.00 58.99 ? 2 VAL H C 1 ATOM 4507 O O . VAL D 1 2 ? 203.967 0.743 40.273 1.00 60.44 ? 2 VAL H O 1 ATOM 4508 C CB . VAL D 1 2 ? 201.908 0.742 42.576 1.00 53.45 ? 2 VAL H CB 1 ATOM 4509 C CG1 . VAL D 1 2 ? 200.869 1.623 41.906 1.00 49.93 ? 2 VAL H CG1 1 ATOM 4510 C CG2 . VAL D 1 2 ? 201.375 0.178 43.880 1.00 57.44 ? 2 VAL H CG2 1 ATOM 4511 N N . GLN D 1 3 ? 202.105 0.006 39.248 1.00 55.21 ? 3 GLN H N 1 ATOM 4512 C CA . GLN D 1 3 ? 202.470 0.567 37.953 1.00 56.41 ? 3 GLN H CA 1 ATOM 4513 C C . GLN D 1 3 ? 201.249 1.196 37.300 1.00 55.69 ? 3 GLN H C 1 ATOM 4514 O O . GLN D 1 3 ? 200.186 0.573 37.220 1.00 60.65 ? 3 GLN H O 1 ATOM 4515 C CB . GLN D 1 3 ? 203.052 -0.493 37.017 1.00 64.34 ? 3 GLN H CB 1 ATOM 4516 C CG . GLN D 1 3 ? 204.394 -1.044 37.435 1.00 82.63 ? 3 GLN H CG 1 ATOM 4517 C CD . GLN D 1 3 ? 205.020 -1.884 36.340 1.00 95.95 ? 3 GLN H CD 1 ATOM 4518 O OE1 . GLN D 1 3 ? 204.604 -1.822 35.181 1.00 90.92 ? 3 GLN H OE1 1 ATOM 4519 N NE2 . GLN D 1 3 ? 206.023 -2.677 36.701 1.00 106.95 ? 3 GLN H NE2 1 ATOM 4520 N N . LEU D 1 4 ? 201.418 2.423 36.825 1.00 45.92 ? 4 LEU H N 1 ATOM 4521 C CA . LEU D 1 4 ? 200.423 3.130 36.030 1.00 45.54 ? 4 LEU H CA 1 ATOM 4522 C C . LEU D 1 4 ? 201.048 3.378 34.666 1.00 47.48 ? 4 LEU H C 1 ATOM 4523 O O . LEU D 1 4 ? 201.972 4.192 34.545 1.00 49.57 ? 4 LEU H O 1 ATOM 4524 C CB . LEU D 1 4 ? 200.010 4.445 36.703 1.00 42.55 ? 4 LEU H CB 1 ATOM 4525 C CG . LEU D 1 4 ? 199.439 4.324 38.119 1.00 50.46 ? 4 LEU H CG 1 ATOM 4526 C CD1 . LEU D 1 4 ? 198.863 5.640 38.595 1.00 57.16 ? 4 LEU H CD1 1 ATOM 4527 C CD2 . LEU D 1 4 ? 198.373 3.246 38.159 1.00 48.80 ? 4 LEU H CD2 1 ATOM 4528 N N . VAL D 1 5 ? 200.558 2.670 33.649 1.00 45.50 ? 5 VAL H N 1 ATOM 4529 C CA . VAL D 1 5 ? 201.071 2.760 32.285 1.00 51.44 ? 5 VAL H CA 1 ATOM 4530 C C . VAL D 1 5 ? 200.002 3.405 31.412 1.00 54.45 ? 5 VAL H C 1 ATOM 4531 O O . VAL D 1 5 ? 198.884 2.886 31.305 1.00 56.57 ? 5 VAL H O 1 ATOM 4532 C CB . VAL D 1 5 ? 201.464 1.380 31.736 1.00 53.21 ? 5 VAL H CB 1 ATOM 4533 C CG1 . VAL D 1 5 ? 202.025 1.513 30.330 1.00 40.44 ? 5 VAL H CG1 1 ATOM 4534 C CG2 . VAL D 1 5 ? 202.470 0.706 32.662 1.00 50.11 ? 5 VAL H CG2 1 ATOM 4535 N N . GLN D 1 6 ? 200.349 4.518 30.771 1.00 50.70 ? 6 GLN H N 1 ATOM 4536 C CA . GLN D 1 6 ? 199.424 5.281 29.945 1.00 41.70 ? 6 GLN H CA 1 ATOM 4537 C C . GLN D 1 6 ? 199.644 5.020 28.460 1.00 52.51 ? 6 GLN H C 1 ATOM 4538 O O . GLN D 1 6 ? 200.682 4.507 28.038 1.00 58.04 ? 6 GLN H O 1 ATOM 4539 C CB . GLN D 1 6 ? 199.574 6.778 30.205 1.00 38.04 ? 6 GLN H CB 1 ATOM 4540 C CG . GLN D 1 6 ? 199.426 7.161 31.637 1.00 43.25 ? 6 GLN H CG 1 ATOM 4541 C CD . GLN D 1 6 ? 199.397 8.649 31.807 1.00 41.17 ? 6 GLN H CD 1 ATOM 4542 O OE1 . GLN D 1 6 ? 199.843 9.171 32.821 1.00 36.35 ? 6 GLN H OE1 1 ATOM 4543 N NE2 . GLN D 1 6 ? 198.857 9.347 30.816 1.00 47.65 ? 6 GLN H NE2 1 ATOM 4544 N N . SER D 1 7 ? 198.653 5.423 27.665 1.00 58.33 ? 7 SER H N 1 ATOM 4545 C CA . SER D 1 7 ? 198.721 5.294 26.218 1.00 52.27 ? 7 SER H CA 1 ATOM 4546 C C . SER D 1 7 ? 199.704 6.315 25.636 1.00 49.83 ? 7 SER H C 1 ATOM 4547 O O . SER D 1 7 ? 200.158 7.238 26.314 1.00 49.07 ? 7 SER H O 1 ATOM 4548 C CB . SER D 1 7 ? 197.330 5.463 25.604 1.00 51.59 ? 7 SER H CB 1 ATOM 4549 O OG . SER D 1 7 ? 196.762 6.719 25.941 1.00 50.56 ? 7 SER H OG 1 ATOM 4550 N N . GLY D 1 8 ? 200.016 6.144 24.349 1.00 54.97 ? 8 GLY H N 1 ATOM 4551 C CA . GLY D 1 8 ? 201.063 6.908 23.702 1.00 52.51 ? 8 GLY H CA 1 ATOM 4552 C C . GLY D 1 8 ? 200.657 8.318 23.296 1.00 56.26 ? 8 GLY H C 1 ATOM 4553 O O . GLY D 1 8 ? 199.499 8.728 23.378 1.00 65.89 ? 8 GLY H O 1 ATOM 4554 N N . ALA D 1 9 ? 201.661 9.066 22.837 1.00 58.40 ? 9 ALA H N 1 ATOM 4555 C CA . ALA D 1 9 ? 201.476 10.445 22.401 1.00 54.04 ? 9 ALA H CA 1 ATOM 4556 C C . ALA D 1 9 ? 200.461 10.533 21.269 1.00 52.35 ? 9 ALA H C 1 ATOM 4557 O O . ALA D 1 9 ? 200.334 9.623 20.446 1.00 54.48 ? 9 ALA H O 1 ATOM 4558 C CB . ALA D 1 9 ? 202.810 11.038 21.937 1.00 39.44 ? 9 ALA H CB 1 ATOM 4559 N N . GLU D 1 10 ? 199.741 11.655 21.221 1.00 48.66 ? 10 GLU H N 1 ATOM 4560 C CA . GLU D 1 10 ? 198.710 11.867 20.214 1.00 60.16 ? 10 GLU H CA 1 ATOM 4561 C C . GLU D 1 10 ? 198.842 13.266 19.625 1.00 58.00 ? 10 GLU H C 1 ATOM 4562 O O . GLU D 1 10 ? 199.128 14.227 20.345 1.00 68.72 ? 10 GLU H O 1 ATOM 4563 C CB . GLU D 1 10 ? 197.294 11.689 20.802 1.00 73.33 ? 10 GLU H CB 1 ATOM 4564 C CG . GLU D 1 10 ? 197.099 10.450 21.669 1.00 80.26 ? 10 GLU H CG 1 ATOM 4565 C CD . GLU D 1 10 ? 196.540 9.269 20.903 1.00 91.38 ? 10 GLU H CD 1 ATOM 4566 O OE1 . GLU D 1 10 ? 196.276 9.415 19.691 1.00 99.13 ? 10 GLU H OE1 1 ATOM 4567 O OE2 . GLU D 1 10 ? 196.356 8.195 21.515 1.00 96.51 -1 10 GLU H OE2 1 ATOM 4568 N N . VAL D 1 11 ? 198.638 13.371 18.312 1.00 56.30 ? 11 VAL H N 1 ATOM 4569 C CA . VAL D 1 11 ? 198.480 14.650 17.630 1.00 59.83 ? 11 VAL H CA 1 ATOM 4570 C C . VAL D 1 11 ? 197.045 14.740 17.129 1.00 61.15 ? 11 VAL H C 1 ATOM 4571 O O . VAL D 1 11 ? 196.566 13.834 16.439 1.00 66.71 ? 11 VAL H O 1 ATOM 4572 C CB . VAL D 1 11 ? 199.475 14.814 16.468 1.00 59.36 ? 11 VAL H CB 1 ATOM 4573 C CG1 . VAL D 1 11 ? 199.321 16.196 15.838 1.00 60.57 ? 11 VAL H CG1 1 ATOM 4574 C CG2 . VAL D 1 11 ? 200.904 14.593 16.956 1.00 37.09 ? 11 VAL H CG2 1 ATOM 4575 N N . LYS D 1 12 ? 196.360 15.828 17.481 1.00 60.56 ? 12 LYS H N 1 ATOM 4576 C CA . LYS D 1 12 ? 194.956 16.016 17.148 1.00 56.23 ? 12 LYS H CA 1 ATOM 4577 C C . LYS D 1 12 ? 194.739 17.399 16.548 1.00 64.27 ? 12 LYS H C 1 ATOM 4578 O O . LYS D 1 12 ? 195.419 18.365 16.909 1.00 76.17 ? 12 LYS H O 1 ATOM 4579 C CB . LYS D 1 12 ? 194.054 15.844 18.390 1.00 57.37 ? 12 LYS H CB 1 ATOM 4580 C CG . LYS D 1 12 ? 194.022 14.436 18.969 1.00 55.33 ? 12 LYS H CG 1 ATOM 4581 C CD . LYS D 1 12 ? 193.149 13.523 18.125 1.00 53.65 ? 12 LYS H CD 1 ATOM 4582 C CE . LYS D 1 12 ? 193.204 12.073 18.594 1.00 47.82 ? 12 LYS H CE 1 ATOM 4583 N NZ . LYS D 1 12 ? 192.324 11.223 17.745 1.00 59.03 1 12 LYS H NZ 1 ATOM 4584 N N . LYS D 1 13 ? 193.786 17.481 15.620 1.00 62.21 ? 13 LYS H N 1 ATOM 4585 C CA . LYS D 1 13 ? 193.344 18.749 15.063 1.00 64.64 ? 13 LYS H CA 1 ATOM 4586 C C . LYS D 1 13 ? 192.485 19.496 16.081 1.00 70.52 ? 13 LYS H C 1 ATOM 4587 O O . LYS D 1 13 ? 191.841 18.880 16.937 1.00 64.01 ? 13 LYS H O 1 ATOM 4588 C CB . LYS D 1 13 ? 192.537 18.514 13.783 1.00 67.52 ? 13 LYS H CB 1 ATOM 4589 C CG . LYS D 1 13 ? 193.300 18.712 12.474 1.00 71.38 ? 13 LYS H CG 1 ATOM 4590 C CD . LYS D 1 13 ? 194.326 17.618 12.236 1.00 77.73 ? 13 LYS H CD 1 ATOM 4591 C CE . LYS D 1 13 ? 195.208 17.941 11.035 1.00 84.46 ? 13 LYS H CE 1 ATOM 4592 N NZ . LYS D 1 13 ? 194.403 18.125 9.793 1.00 90.00 1 13 LYS H NZ 1 ATOM 4593 N N . PRO D 1 14 ? 192.462 20.828 16.017 1.00 74.06 ? 14 PRO H N 1 ATOM 4594 C CA . PRO D 1 14 ? 191.541 21.585 16.874 1.00 59.64 ? 14 PRO H CA 1 ATOM 4595 C C . PRO D 1 14 ? 190.100 21.172 16.610 1.00 64.93 ? 14 PRO H C 1 ATOM 4596 O O . PRO D 1 14 ? 189.690 20.991 15.463 1.00 76.30 ? 14 PRO H O 1 ATOM 4597 C CB . PRO D 1 14 ? 191.793 23.041 16.470 1.00 47.29 ? 14 PRO H CB 1 ATOM 4598 C CG . PRO D 1 14 ? 193.168 23.040 15.878 1.00 61.58 ? 14 PRO H CG 1 ATOM 4599 C CD . PRO D 1 14 ? 193.323 21.708 15.207 1.00 68.53 ? 14 PRO H CD 1 ATOM 4600 N N . GLY D 1 15 ? 189.334 21.016 17.690 1.00 63.47 ? 15 GLY H N 1 ATOM 4601 C CA . GLY D 1 15 ? 187.962 20.569 17.623 1.00 65.29 ? 15 GLY H CA 1 ATOM 4602 C C . GLY D 1 15 ? 187.766 19.084 17.858 1.00 68.30 ? 15 GLY H C 1 ATOM 4603 O O . GLY D 1 15 ? 186.673 18.672 18.274 1.00 79.47 ? 15 GLY H O 1 ATOM 4604 N N . ALA D 1 16 ? 188.792 18.276 17.608 1.00 60.41 ? 16 ALA H N 1 ATOM 4605 C CA . ALA D 1 16 ? 188.699 16.837 17.779 1.00 59.66 ? 16 ALA H CA 1 ATOM 4606 C C . ALA D 1 16 ? 188.708 16.471 19.264 1.00 59.07 ? 16 ALA H C 1 ATOM 4607 O O . ALA D 1 16 ? 188.783 17.327 20.151 1.00 60.58 ? 16 ALA H O 1 ATOM 4608 C CB . ALA D 1 16 ? 189.842 16.144 17.039 1.00 45.33 ? 16 ALA H CB 1 ATOM 4609 N N . SER D 1 17 ? 188.621 15.171 19.527 1.00 58.48 ? 17 SER H N 1 ATOM 4610 C CA . SER D 1 17 ? 188.692 14.602 20.863 1.00 54.23 ? 17 SER H CA 1 ATOM 4611 C C . SER D 1 17 ? 189.923 13.718 20.976 1.00 51.50 ? 17 SER H C 1 ATOM 4612 O O . SER D 1 17 ? 190.450 13.214 19.980 1.00 61.74 ? 17 SER H O 1 ATOM 4613 C CB . SER D 1 17 ? 187.447 13.766 21.186 1.00 47.78 ? 17 SER H CB 1 ATOM 4614 O OG . SER D 1 17 ? 186.295 14.576 21.286 1.00 63.11 ? 17 SER H OG 1 ATOM 4615 N N . VAL D 1 18 ? 190.367 13.514 22.207 1.00 45.77 ? 18 VAL H N 1 ATOM 4616 C CA . VAL D 1 18 ? 191.446 12.582 22.490 1.00 57.54 ? 18 VAL H CA 1 ATOM 4617 C C . VAL D 1 18 ? 191.016 11.735 23.679 1.00 59.02 ? 18 VAL H C 1 ATOM 4618 O O . VAL D 1 18 ? 190.347 12.229 24.594 1.00 62.45 ? 18 VAL H O 1 ATOM 4619 C CB . VAL D 1 18 ? 192.781 13.323 22.748 1.00 51.60 ? 18 VAL H CB 1 ATOM 4620 C CG1 . VAL D 1 18 ? 192.644 14.294 23.911 1.00 55.20 ? 18 VAL H CG1 1 ATOM 4621 C CG2 . VAL D 1 18 ? 193.925 12.343 22.966 1.00 43.67 ? 18 VAL H CG2 1 ATOM 4622 N N . LYS D 1 19 ? 191.349 10.446 23.638 1.00 53.62 ? 19 LYS H N 1 ATOM 4623 C CA . LYS D 1 19 ? 191.019 9.524 24.718 1.00 47.33 ? 19 LYS H CA 1 ATOM 4624 C C . LYS D 1 19 ? 192.309 8.902 25.234 1.00 53.70 ? 19 LYS H C 1 ATOM 4625 O O . LYS D 1 19 ? 192.906 8.045 24.574 1.00 62.86 ? 19 LYS H O 1 ATOM 4626 C CB . LYS D 1 19 ? 190.031 8.451 24.264 1.00 41.95 ? 19 LYS H CB 1 ATOM 4627 C CG . LYS D 1 19 ? 189.321 7.782 25.443 1.00 53.18 ? 19 LYS H CG 1 ATOM 4628 C CD . LYS D 1 19 ? 188.093 7.006 25.009 1.00 54.05 ? 19 LYS H CD 1 ATOM 4629 C CE . LYS D 1 19 ? 187.396 6.364 26.203 1.00 55.11 ? 19 LYS H CE 1 ATOM 4630 N NZ . LYS D 1 19 ? 186.333 5.392 25.774 1.00 70.63 1 19 LYS H NZ 1 ATOM 4631 N N . VAL D 1 20 ? 192.722 9.331 26.399 1.00 49.38 ? 20 VAL H N 1 ATOM 4632 C CA . VAL D 1 20 ? 193.924 8.839 27.052 1.00 48.39 ? 20 VAL H CA 1 ATOM 4633 C C . VAL D 1 20 ? 193.528 7.727 28.008 1.00 54.29 ? 20 VAL H C 1 ATOM 4634 O O . VAL D 1 20 ? 192.521 7.831 28.718 1.00 58.04 ? 20 VAL H O 1 ATOM 4635 C CB . VAL D 1 20 ? 194.635 9.985 27.796 1.00 49.28 ? 20 VAL H CB 1 ATOM 4636 C CG1 . VAL D 1 20 ? 195.969 9.518 28.357 1.00 42.57 ? 20 VAL H CG1 1 ATOM 4637 C CG2 . VAL D 1 20 ? 194.801 11.188 26.876 1.00 44.20 ? 20 VAL H CG2 1 ATOM 4638 N N . SER D 1 21 ? 194.308 6.657 28.034 1.00 51.34 ? 21 SER H N 1 ATOM 4639 C CA . SER D 1 21 ? 194.026 5.551 28.933 1.00 44.68 ? 21 SER H CA 1 ATOM 4640 C C . SER D 1 21 ? 195.158 5.407 29.935 1.00 40.26 ? 21 SER H C 1 ATOM 4641 O O . SER D 1 21 ? 196.229 6.002 29.796 1.00 47.31 ? 21 SER H O 1 ATOM 4642 C CB . SER D 1 21 ? 193.804 4.239 28.164 1.00 41.52 ? 21 SER H CB 1 ATOM 4643 O OG . SER D 1 21 ? 195.000 3.770 27.577 1.00 53.59 ? 21 SER H OG 1 ATOM 4644 N N . CYS D 1 22 ? 194.898 4.607 30.968 1.00 52.99 ? 22 CYS H N 1 ATOM 4645 C CA . CYS D 1 22 ? 195.853 4.461 32.060 1.00 47.72 ? 22 CYS H CA 1 ATOM 4646 C C . CYS D 1 22 ? 195.587 3.117 32.737 1.00 55.78 ? 22 CYS H C 1 ATOM 4647 O O . CYS D 1 22 ? 194.613 2.979 33.483 1.00 67.40 ? 22 CYS H O 1 ATOM 4648 C CB . CYS D 1 22 ? 195.731 5.622 33.028 1.00 53.73 ? 22 CYS H CB 1 ATOM 4649 S SG . CYS D 1 22 ? 196.508 5.397 34.635 1.00 65.26 ? 22 CYS H SG 1 ATOM 4650 N N . LYS D 1 23 ? 196.450 2.142 32.456 1.00 46.60 ? 23 LYS H N 1 ATOM 4651 C CA . LYS D 1 23 ? 196.342 0.802 33.014 1.00 48.64 ? 23 LYS H CA 1 ATOM 4652 C C . LYS D 1 23 ? 197.081 0.752 34.344 1.00 43.85 ? 23 LYS H C 1 ATOM 4653 O O . LYS D 1 23 ? 198.273 1.075 34.409 1.00 47.28 ? 23 LYS H O 1 ATOM 4654 C CB . LYS D 1 23 ? 196.911 -0.241 32.051 1.00 46.98 ? 23 LYS H CB 1 ATOM 4655 C CG . LYS D 1 23 ? 196.547 -1.665 32.424 1.00 58.29 ? 23 LYS H CG 1 ATOM 4656 C CD . LYS D 1 23 ? 197.080 -2.676 31.421 1.00 74.69 ? 23 LYS H CD 1 ATOM 4657 C CE . LYS D 1 23 ? 196.305 -3.985 31.521 1.00 83.94 ? 23 LYS H CE 1 ATOM 4658 N NZ . LYS D 1 23 ? 196.146 -4.441 32.941 1.00 84.96 1 23 LYS H NZ 1 ATOM 4659 N N . ALA D 1 24 ? 196.374 0.337 35.394 1.00 45.92 ? 24 ALA H N 1 ATOM 4660 C CA . ALA D 1 24 ? 196.914 0.209 36.740 1.00 49.64 ? 24 ALA H CA 1 ATOM 4661 C C . ALA D 1 24 ? 197.197 -1.253 37.055 1.00 45.26 ? 24 ALA H C 1 ATOM 4662 O O . ALA D 1 24 ? 196.477 -2.151 36.611 1.00 60.93 ? 24 ALA H O 1 ATOM 4663 C CB . ALA D 1 24 ? 195.937 0.772 37.774 1.00 57.13 ? 24 ALA H CB 1 ATOM 4664 N N . SER D 1 25 ? 198.251 -1.484 37.835 1.00 43.09 ? 25 SER H N 1 ATOM 4665 C CA . SER D 1 25 ? 198.598 -2.832 38.276 1.00 54.74 ? 25 SER H CA 1 ATOM 4666 C C . SER D 1 25 ? 199.316 -2.754 39.616 1.00 54.62 ? 25 SER H C 1 ATOM 4667 O O . SER D 1 25 ? 199.869 -1.715 39.988 1.00 57.59 ? 25 SER H O 1 ATOM 4668 C CB . SER D 1 25 ? 199.471 -3.567 37.244 1.00 50.82 ? 25 SER H CB 1 ATOM 4669 O OG . SER D 1 25 ? 200.441 -2.696 36.676 1.00 71.07 ? 25 SER H OG 1 ATOM 4670 N N . GLY D 1 26 ? 199.290 -3.868 40.345 1.00 53.22 ? 26 GLY H N 1 ATOM 4671 C CA . GLY D 1 26 ? 199.990 -3.976 41.610 1.00 53.48 ? 26 GLY H CA 1 ATOM 4672 C C . GLY D 1 26 ? 199.200 -3.576 42.838 1.00 59.72 ? 26 GLY H C 1 ATOM 4673 O O . GLY D 1 26 ? 199.731 -3.680 43.951 1.00 62.31 ? 26 GLY H O 1 ATOM 4674 N N . TYR D 1 27 ? 197.955 -3.129 42.681 1.00 56.23 ? 27 TYR H N 1 ATOM 4675 C CA . TYR D 1 27 ? 197.134 -2.740 43.816 1.00 49.68 ? 27 TYR H CA 1 ATOM 4676 C C . TYR D 1 27 ? 195.667 -2.958 43.456 1.00 56.25 ? 27 TYR H C 1 ATOM 4677 O O . TYR D 1 27 ? 195.325 -3.178 42.292 1.00 62.51 ? 27 TYR H O 1 ATOM 4678 C CB . TYR D 1 27 ? 197.408 -1.285 44.220 1.00 46.00 ? 27 TYR H CB 1 ATOM 4679 C CG . TYR D 1 27 ? 196.855 -0.249 43.258 1.00 49.29 ? 27 TYR H CG 1 ATOM 4680 C CD1 . TYR D 1 27 ? 197.595 0.178 42.160 1.00 41.21 ? 27 TYR H CD1 1 ATOM 4681 C CD2 . TYR D 1 27 ? 195.593 0.309 43.454 1.00 46.11 ? 27 TYR H CD2 1 ATOM 4682 C CE1 . TYR D 1 27 ? 197.093 1.126 41.281 1.00 36.92 ? 27 TYR H CE1 1 ATOM 4683 C CE2 . TYR D 1 27 ? 195.085 1.264 42.583 1.00 36.15 ? 27 TYR H CE2 1 ATOM 4684 C CZ . TYR D 1 27 ? 195.835 1.662 41.502 1.00 46.88 ? 27 TYR H CZ 1 ATOM 4685 O OH . TYR D 1 27 ? 195.322 2.601 40.644 1.00 51.94 ? 27 TYR H OH 1 ATOM 4686 N N . THR D 1 28 ? 194.796 -2.897 44.469 1.00 55.15 ? 28 THR H N 1 ATOM 4687 C CA . THR D 1 28 ? 193.361 -3.077 44.244 1.00 56.54 ? 28 THR H CA 1 ATOM 4688 C C . THR D 1 28 ? 192.804 -1.854 43.529 1.00 56.30 ? 28 THR H C 1 ATOM 4689 O O . THR D 1 28 ? 192.633 -0.796 44.146 1.00 51.72 ? 28 THR H O 1 ATOM 4690 C CB . THR D 1 28 ? 192.617 -3.296 45.557 1.00 55.89 ? 28 THR H CB 1 ATOM 4691 O OG1 . THR D 1 28 ? 193.147 -4.443 46.230 1.00 66.39 ? 28 THR H OG1 1 ATOM 4692 C CG2 . THR D 1 28 ? 191.130 -3.519 45.276 1.00 48.15 ? 28 THR H CG2 1 ATOM 4693 N N . PHE D 1 29 ? 192.488 -2.007 42.237 1.00 56.58 ? 29 PHE H N 1 ATOM 4694 C CA . PHE D 1 29 ? 192.132 -0.857 41.407 1.00 55.79 ? 29 PHE H CA 1 ATOM 4695 C C . PHE D 1 29 ? 190.947 -0.080 41.980 1.00 53.47 ? 29 PHE H C 1 ATOM 4696 O O . PHE D 1 29 ? 190.968 1.154 42.010 1.00 53.09 ? 29 PHE H O 1 ATOM 4697 C CB . PHE D 1 29 ? 191.842 -1.323 39.978 1.00 43.69 ? 29 PHE H CB 1 ATOM 4698 C CG . PHE D 1 29 ? 191.517 -0.204 39.021 1.00 38.54 ? 29 PHE H CG 1 ATOM 4699 C CD1 . PHE D 1 29 ? 192.467 0.744 38.686 1.00 36.58 ? 29 PHE H CD1 1 ATOM 4700 C CD2 . PHE D 1 29 ? 190.265 -0.117 38.442 1.00 43.45 ? 29 PHE H CD2 1 ATOM 4701 C CE1 . PHE D 1 29 ? 192.169 1.763 37.798 1.00 44.86 ? 29 PHE H CE1 1 ATOM 4702 C CE2 . PHE D 1 29 ? 189.961 0.896 37.552 1.00 48.58 ? 29 PHE H CE2 1 ATOM 4703 C CZ . PHE D 1 29 ? 190.910 1.839 37.231 1.00 42.44 ? 29 PHE H CZ 1 ATOM 4704 N N . THR D 1 30 ? 189.914 -0.777 42.462 1.00 59.64 ? 30 THR H N 1 ATOM 4705 C CA . THR D 1 30 ? 188.729 -0.087 42.975 1.00 57.98 ? 30 THR H CA 1 ATOM 4706 C C . THR D 1 30 ? 188.943 0.574 44.334 1.00 52.68 ? 30 THR H C 1 ATOM 4707 O O . THR D 1 30 ? 188.015 1.217 44.835 1.00 54.51 ? 30 THR H O 1 ATOM 4708 C CB . THR D 1 30 ? 187.550 -1.056 43.085 1.00 59.28 ? 30 THR H CB 1 ATOM 4709 O OG1 . THR D 1 30 ? 187.921 -2.165 43.915 1.00 62.44 ? 30 THR H OG1 1 ATOM 4710 C CG2 . THR D 1 30 ? 187.132 -1.561 41.712 1.00 52.40 ? 30 THR H CG2 1 ATOM 4711 N N . GLY D 1 31 ? 190.119 0.446 44.942 1.00 43.36 ? 31 GLY H N 1 ATOM 4712 C CA . GLY D 1 31 ? 190.300 0.919 46.297 1.00 37.66 ? 31 GLY H CA 1 ATOM 4713 C C . GLY D 1 31 ? 190.797 2.332 46.471 1.00 37.93 ? 31 GLY H C 1 ATOM 4714 O O . GLY D 1 31 ? 190.789 2.835 47.596 1.00 45.35 ? 31 GLY H O 1 ATOM 4715 N N . TYR D 1 32 ? 191.242 2.995 45.407 1.00 39.45 ? 32 TYR H N 1 ATOM 4716 C CA . TYR D 1 32 ? 191.812 4.331 45.524 1.00 41.85 ? 32 TYR H CA 1 ATOM 4717 C C . TYR D 1 32 ? 191.296 5.193 44.389 1.00 40.53 ? 32 TYR H C 1 ATOM 4718 O O . TYR D 1 32 ? 191.257 4.744 43.240 1.00 45.16 ? 32 TYR H O 1 ATOM 4719 C CB . TYR D 1 32 ? 193.346 4.293 45.487 1.00 44.36 ? 32 TYR H CB 1 ATOM 4720 C CG . TYR D 1 32 ? 193.953 3.498 46.615 1.00 50.96 ? 32 TYR H CG 1 ATOM 4721 C CD1 . TYR D 1 32 ? 194.041 2.113 46.548 1.00 48.32 ? 32 TYR H CD1 1 ATOM 4722 C CD2 . TYR D 1 32 ? 194.432 4.132 47.752 1.00 58.17 ? 32 TYR H CD2 1 ATOM 4723 C CE1 . TYR D 1 32 ? 194.587 1.385 47.584 1.00 59.36 ? 32 TYR H CE1 1 ATOM 4724 C CE2 . TYR D 1 32 ? 194.981 3.413 48.791 1.00 65.20 ? 32 TYR H CE2 1 ATOM 4725 C CZ . TYR D 1 32 ? 195.059 2.042 48.699 1.00 67.80 ? 32 TYR H CZ 1 ATOM 4726 O OH . TYR D 1 32 ? 195.607 1.326 49.732 1.00 81.03 ? 32 TYR H OH 1 ATOM 4727 N N . TYR D 1 33 ? 190.907 6.424 44.712 1.00 45.12 ? 33 TYR H N 1 ATOM 4728 C CA . TYR D 1 33 ? 190.492 7.355 43.675 1.00 51.52 ? 33 TYR H CA 1 ATOM 4729 C C . TYR D 1 33 ? 191.634 7.580 42.692 1.00 58.35 ? 33 TYR H C 1 ATOM 4730 O O . TYR D 1 33 ? 192.815 7.506 43.045 1.00 56.86 ? 33 TYR H O 1 ATOM 4731 C CB . TYR D 1 33 ? 190.062 8.689 44.283 1.00 43.28 ? 33 TYR H CB 1 ATOM 4732 C CG . TYR D 1 33 ? 188.671 8.715 44.874 1.00 50.23 ? 33 TYR H CG 1 ATOM 4733 C CD1 . TYR D 1 33 ? 188.156 7.624 45.556 1.00 52.61 ? 33 TYR H CD1 1 ATOM 4734 C CD2 . TYR D 1 33 ? 187.883 9.855 44.780 1.00 51.35 ? 33 TYR H CD2 1 ATOM 4735 C CE1 . TYR D 1 33 ? 186.881 7.660 46.110 1.00 42.42 ? 33 TYR H CE1 1 ATOM 4736 C CE2 . TYR D 1 33 ? 186.613 9.899 45.329 1.00 47.68 ? 33 TYR H CE2 1 ATOM 4737 C CZ . TYR D 1 33 ? 186.112 8.797 45.992 1.00 39.64 ? 33 TYR H CZ 1 ATOM 4738 O OH . TYR D 1 33 ? 184.843 8.845 46.542 1.00 46.00 ? 33 TYR H OH 1 ATOM 4739 N N . MET D 1 34 ? 191.270 7.840 41.446 1.00 45.18 ? 34 MET H N 1 ATOM 4740 C CA . MET D 1 34 ? 192.222 8.131 40.391 1.00 31.61 ? 34 MET H CA 1 ATOM 4741 C C . MET D 1 34 ? 192.018 9.570 39.932 1.00 42.12 ? 34 MET H C 1 ATOM 4742 O O . MET D 1 34 ? 190.892 9.975 39.627 1.00 38.87 ? 34 MET H O 1 ATOM 4743 C CB . MET D 1 34 ? 192.049 7.154 39.228 1.00 35.60 ? 34 MET H CB 1 ATOM 4744 C CG . MET D 1 34 ? 193.112 7.285 38.150 1.00 62.24 ? 34 MET H CG 1 ATOM 4745 S SD . MET D 1 34 ? 194.699 6.601 38.664 1.00 75.94 ? 34 MET H SD 1 ATOM 4746 C CE . MET D 1 34 ? 194.306 4.854 38.684 1.00 67.14 ? 34 MET H CE 1 ATOM 4747 N N . HIS D 1 35 ? 193.097 10.345 39.906 1.00 35.43 ? 35 HIS H N 1 ATOM 4748 C CA . HIS D 1 35 ? 193.039 11.741 39.500 1.00 36.85 ? 35 HIS H CA 1 ATOM 4749 C C . HIS D 1 35 ? 193.771 11.946 38.180 1.00 34.19 ? 35 HIS H C 1 ATOM 4750 O O . HIS D 1 35 ? 194.630 11.155 37.787 1.00 35.34 ? 35 HIS H O 1 ATOM 4751 C CB . HIS D 1 35 ? 193.650 12.655 40.566 1.00 30.10 ? 35 HIS H CB 1 ATOM 4752 C CG . HIS D 1 35 ? 192.927 12.637 41.878 1.00 43.81 ? 35 HIS H CG 1 ATOM 4753 N ND1 . HIS D 1 35 ? 192.323 13.757 42.406 1.00 36.64 ? 35 HIS H ND1 1 ATOM 4754 C CD2 . HIS D 1 35 ? 192.732 11.645 42.780 1.00 39.78 ? 35 HIS H CD2 1 ATOM 4755 C CE1 . HIS D 1 35 ? 191.780 13.455 43.572 1.00 41.48 ? 35 HIS H CE1 1 ATOM 4756 N NE2 . HIS D 1 35 ? 192.013 12.179 43.821 1.00 43.88 ? 35 HIS H NE2 1 ATOM 4757 N N . TRP D 1 36 ? 193.435 13.038 37.502 1.00 34.96 ? 36 TRP H N 1 ATOM 4758 C CA . TRP D 1 36 ? 194.097 13.411 36.258 1.00 34.29 ? 36 TRP H CA 1 ATOM 4759 C C . TRP D 1 36 ? 194.651 14.818 36.393 1.00 41.78 ? 36 TRP H C 1 ATOM 4760 O O . TRP D 1 36 ? 193.913 15.752 36.729 1.00 42.25 ? 36 TRP H O 1 ATOM 4761 C CB . TRP D 1 36 ? 193.145 13.324 35.069 1.00 38.60 ? 36 TRP H CB 1 ATOM 4762 C CG . TRP D 1 36 ? 192.744 11.930 34.728 1.00 48.71 ? 36 TRP H CG 1 ATOM 4763 C CD1 . TRP D 1 36 ? 191.716 11.217 35.273 1.00 42.66 ? 36 TRP H CD1 1 ATOM 4764 C CD2 . TRP D 1 36 ? 193.359 11.074 33.762 1.00 50.64 ? 36 TRP H CD2 1 ATOM 4765 N NE1 . TRP D 1 36 ? 191.650 9.972 34.703 1.00 42.73 ? 36 TRP H NE1 1 ATOM 4766 C CE2 . TRP D 1 36 ? 192.645 9.857 33.769 1.00 46.74 ? 36 TRP H CE2 1 ATOM 4767 C CE3 . TRP D 1 36 ? 194.436 11.221 32.881 1.00 45.47 ? 36 TRP H CE3 1 ATOM 4768 C CZ2 . TRP D 1 36 ? 192.977 8.788 32.935 1.00 50.85 ? 36 TRP H CZ2 1 ATOM 4769 C CZ3 . TRP D 1 36 ? 194.766 10.158 32.053 1.00 47.88 ? 36 TRP H CZ3 1 ATOM 4770 C CH2 . TRP D 1 36 ? 194.039 8.957 32.088 1.00 52.56 ? 36 TRP H CH2 1 ATOM 4771 N N . VAL D 1 37 ? 195.949 14.960 36.133 1.00 39.18 ? 37 VAL H N 1 ATOM 4772 C CA . VAL D 1 37 ? 196.644 16.239 36.169 1.00 35.54 ? 37 VAL H CA 1 ATOM 4773 C C . VAL D 1 37 ? 197.319 16.437 34.821 1.00 40.18 ? 37 VAL H C 1 ATOM 4774 O O . VAL D 1 37 ? 197.850 15.482 34.246 1.00 45.87 ? 37 VAL H O 1 ATOM 4775 C CB . VAL D 1 37 ? 197.667 16.268 37.318 1.00 35.82 ? 37 VAL H CB 1 ATOM 4776 C CG1 . VAL D 1 37 ? 198.387 17.606 37.375 1.00 39.12 ? 37 VAL H CG1 1 ATOM 4777 C CG2 . VAL D 1 37 ? 196.984 15.947 38.639 1.00 32.51 ? 37 VAL H CG2 1 ATOM 4778 N N . ARG D 1 38 ? 197.272 17.655 34.295 1.00 35.91 ? 38 ARG H N 1 ATOM 4779 C CA . ARG D 1 38 ? 197.953 17.933 33.039 1.00 42.48 ? 38 ARG H CA 1 ATOM 4780 C C . ARG D 1 38 ? 199.002 19.019 33.234 1.00 41.21 ? 38 ARG H C 1 ATOM 4781 O O . ARG D 1 38 ? 198.952 19.809 34.184 1.00 39.21 ? 38 ARG H O 1 ATOM 4782 C CB . ARG D 1 38 ? 196.971 18.334 31.933 1.00 36.91 ? 38 ARG H CB 1 ATOM 4783 C CG . ARG D 1 38 ? 196.459 19.750 32.016 1.00 37.01 ? 38 ARG H CG 1 ATOM 4784 C CD . ARG D 1 38 ? 195.605 20.047 30.807 1.00 35.08 ? 38 ARG H CD 1 ATOM 4785 N NE . ARG D 1 38 ? 195.166 21.436 30.767 1.00 36.00 ? 38 ARG H NE 1 ATOM 4786 C CZ . ARG D 1 38 ? 194.361 21.929 29.831 1.00 42.71 ? 38 ARG H CZ 1 ATOM 4787 N NH1 . ARG D 1 38 ? 193.905 21.146 28.857 1.00 41.24 1 38 ARG H NH1 1 ATOM 4788 N NH2 . ARG D 1 38 ? 194.020 23.207 29.866 1.00 39.65 ? 38 ARG H NH2 1 ATOM 4789 N N . GLN D 1 39 ? 199.972 19.036 32.328 1.00 38.96 ? 39 GLN H N 1 ATOM 4790 C CA . GLN D 1 39 ? 201.105 19.958 32.422 1.00 37.23 ? 39 GLN H CA 1 ATOM 4791 C C . GLN D 1 39 ? 201.396 20.507 31.034 1.00 28.97 ? 39 GLN H C 1 ATOM 4792 O O . GLN D 1 39 ? 201.875 19.773 30.165 1.00 37.77 ? 39 GLN H O 1 ATOM 4793 C CB . GLN D 1 39 ? 202.335 19.258 33.000 1.00 39.29 ? 39 GLN H CB 1 ATOM 4794 C CG . GLN D 1 39 ? 203.502 20.191 33.289 1.00 46.35 ? 39 GLN H CG 1 ATOM 4795 C CD . GLN D 1 39 ? 204.514 19.574 34.241 1.00 42.94 ? 39 GLN H CD 1 ATOM 4796 O OE1 . GLN D 1 39 ? 205.003 20.232 35.164 1.00 43.83 ? 39 GLN H OE1 1 ATOM 4797 N NE2 . GLN D 1 39 ? 204.822 18.303 34.029 1.00 29.71 ? 39 GLN H NE2 1 ATOM 4798 N N . ALA D 1 40 ? 201.090 21.779 30.814 1.00 37.26 ? 40 ALA H N 1 ATOM 4799 C CA . ALA D 1 40 ? 201.465 22.407 29.555 1.00 47.74 ? 40 ALA H CA 1 ATOM 4800 C C . ALA D 1 40 ? 202.983 22.579 29.502 1.00 50.56 ? 40 ALA H C 1 ATOM 4801 O O . ALA D 1 40 ? 203.616 22.843 30.528 1.00 56.13 ? 40 ALA H O 1 ATOM 4802 C CB . ALA D 1 40 ? 200.774 23.761 29.401 1.00 31.15 ? 40 ALA H CB 1 ATOM 4803 N N . PRO D 1 41 ? 203.589 22.431 28.322 1.00 63.69 ? 41 PRO H N 1 ATOM 4804 C CA . PRO D 1 41 ? 205.061 22.431 28.233 1.00 63.37 ? 41 PRO H CA 1 ATOM 4805 C C . PRO D 1 41 ? 205.658 23.711 28.798 1.00 53.14 ? 41 PRO H C 1 ATOM 4806 O O . PRO D 1 41 ? 205.358 24.816 28.342 1.00 58.06 ? 41 PRO H O 1 ATOM 4807 C CB . PRO D 1 41 ? 205.322 22.294 26.729 1.00 61.52 ? 41 PRO H CB 1 ATOM 4808 C CG . PRO D 1 41 ? 204.075 22.799 26.081 1.00 67.71 ? 41 PRO H CG 1 ATOM 4809 C CD . PRO D 1 41 ? 202.957 22.389 26.993 1.00 66.68 ? 41 PRO H CD 1 ATOM 4810 N N . GLY D 1 42 ? 206.492 23.553 29.823 1.00 47.36 ? 42 GLY H N 1 ATOM 4811 C CA . GLY D 1 42 ? 207.097 24.678 30.501 1.00 44.04 ? 42 GLY H CA 1 ATOM 4812 C C . GLY D 1 42 ? 206.311 25.243 31.667 1.00 55.08 ? 42 GLY H C 1 ATOM 4813 O O . GLY D 1 42 ? 206.822 26.134 32.358 1.00 50.83 ? 42 GLY H O 1 ATOM 4814 N N . GLN D 1 43 ? 205.097 24.759 31.924 1.00 52.70 ? 43 GLN H N 1 ATOM 4815 C CA . GLN D 1 43 ? 204.261 25.314 32.981 1.00 54.79 ? 43 GLN H CA 1 ATOM 4816 C C . GLN D 1 43 ? 204.099 24.310 34.124 1.00 39.25 ? 43 GLN H C 1 ATOM 4817 O O . GLN D 1 43 ? 204.703 23.237 34.139 1.00 44.24 ? 43 GLN H O 1 ATOM 4818 C CB . GLN D 1 43 ? 202.901 25.745 32.424 1.00 66.61 ? 43 GLN H CB 1 ATOM 4819 C CG . GLN D 1 43 ? 202.966 26.795 31.326 1.00 75.19 ? 43 GLN H CG 1 ATOM 4820 C CD . GLN D 1 43 ? 201.584 27.163 30.804 1.00 98.79 ? 43 GLN H CD 1 ATOM 4821 O OE1 . GLN D 1 43 ? 200.571 26.907 31.460 1.00 105.48 ? 43 GLN H OE1 1 ATOM 4822 N NE2 . GLN D 1 43 ? 201.537 27.759 29.615 1.00 108.63 ? 43 GLN H NE2 1 ATOM 4823 N N . GLY D 1 44 ? 203.269 24.679 35.093 1.00 40.76 ? 44 GLY H N 1 ATOM 4824 C CA . GLY D 1 44 ? 203.036 23.875 36.273 1.00 30.55 ? 44 GLY H CA 1 ATOM 4825 C C . GLY D 1 44 ? 201.995 22.801 36.054 1.00 43.23 ? 44 GLY H C 1 ATOM 4826 O O . GLY D 1 44 ? 201.718 22.381 34.928 1.00 47.65 ? 44 GLY H O 1 ATOM 4827 N N . LEU D 1 45 ? 201.411 22.350 37.161 1.00 54.33 ? 45 LEU H N 1 ATOM 4828 C CA . LEU D 1 45 ? 200.516 21.199 37.185 1.00 48.59 ? 45 LEU H CA 1 ATOM 4829 C C . LEU D 1 45 ? 199.087 21.675 37.412 1.00 48.26 ? 45 LEU H C 1 ATOM 4830 O O . LEU D 1 45 ? 198.826 22.434 38.349 1.00 46.77 ? 45 LEU H O 1 ATOM 4831 C CB . LEU D 1 45 ? 200.937 20.215 38.283 1.00 39.72 ? 45 LEU H CB 1 ATOM 4832 C CG . LEU D 1 45 ? 202.354 19.632 38.192 1.00 45.64 ? 45 LEU H CG 1 ATOM 4833 C CD1 . LEU D 1 45 ? 202.841 19.136 39.545 1.00 41.56 ? 45 LEU H CD1 1 ATOM 4834 C CD2 . LEU D 1 45 ? 202.415 18.504 37.169 1.00 35.74 ? 45 LEU H CD2 1 ATOM 4835 N N . GLU D 1 46 ? 198.163 21.230 36.564 1.00 39.83 ? 46 GLU H N 1 ATOM 4836 C CA . GLU D 1 46 ? 196.769 21.653 36.647 1.00 40.51 ? 46 GLU H CA 1 ATOM 4837 C C . GLU D 1 46 ? 195.879 20.437 36.855 1.00 44.06 ? 46 GLU H C 1 ATOM 4838 O O . GLU D 1 46 ? 195.825 19.543 36.001 1.00 44.64 ? 46 GLU H O 1 ATOM 4839 C CB . GLU D 1 46 ? 196.355 22.422 35.392 1.00 37.16 ? 46 GLU H CB 1 ATOM 4840 C CG . GLU D 1 46 ? 194.928 22.938 35.421 1.00 52.78 ? 46 GLU H CG 1 ATOM 4841 C CD . GLU D 1 46 ? 194.627 23.853 34.240 1.00 75.76 ? 46 GLU H CD 1 ATOM 4842 O OE1 . GLU D 1 46 ? 193.984 24.906 34.442 1.00 78.55 ? 46 GLU H OE1 1 ATOM 4843 O OE2 . GLU D 1 46 ? 195.053 23.527 33.109 1.00 88.21 -1 46 GLU H OE2 1 ATOM 4844 N N . TRP D 1 47 ? 195.186 20.415 37.988 1.00 44.05 ? 47 TRP H N 1 ATOM 4845 C CA . TRP D 1 47 ? 194.300 19.320 38.350 1.00 35.94 ? 47 TRP H CA 1 ATOM 4846 C C . TRP D 1 47 ? 193.020 19.370 37.522 1.00 38.73 ? 47 TRP H C 1 ATOM 4847 O O . TRP D 1 47 ? 192.431 20.435 37.327 1.00 42.55 ? 47 TRP H O 1 ATOM 4848 C CB . TRP D 1 47 ? 193.982 19.401 39.843 1.00 39.14 ? 47 TRP H CB 1 ATOM 4849 C CG . TRP D 1 47 ? 193.100 18.323 40.362 1.00 48.45 ? 47 TRP H CG 1 ATOM 4850 C CD1 . TRP D 1 47 ? 193.468 17.054 40.723 1.00 51.38 ? 47 TRP H CD1 1 ATOM 4851 C CD2 . TRP D 1 47 ? 191.694 18.420 40.608 1.00 41.10 ? 47 TRP H CD2 1 ATOM 4852 N NE1 . TRP D 1 47 ? 192.370 16.352 41.164 1.00 49.04 ? 47 TRP H NE1 1 ATOM 4853 C CE2 . TRP D 1 47 ? 191.270 17.168 41.108 1.00 47.68 ? 47 TRP H CE2 1 ATOM 4854 C CE3 . TRP D 1 47 ? 190.748 19.441 40.445 1.00 36.88 ? 47 TRP H CE3 1 ATOM 4855 C CZ2 . TRP D 1 47 ? 189.942 16.914 41.454 1.00 50.37 ? 47 TRP H CZ2 1 ATOM 4856 C CZ3 . TRP D 1 47 ? 189.425 19.183 40.782 1.00 42.52 ? 47 TRP H CZ3 1 ATOM 4857 C CH2 . TRP D 1 47 ? 189.036 17.930 41.279 1.00 47.97 ? 47 TRP H CH2 1 ATOM 4858 N N . MET D 1 48 ? 192.587 18.205 37.037 1.00 37.74 ? 48 MET H N 1 ATOM 4859 C CA . MET D 1 48 ? 191.451 18.127 36.130 1.00 43.06 ? 48 MET H CA 1 ATOM 4860 C C . MET D 1 48 ? 190.215 17.483 36.735 1.00 42.22 ? 48 MET H C 1 ATOM 4861 O O . MET D 1 48 ? 189.104 17.780 36.294 1.00 42.78 ? 48 MET H O 1 ATOM 4862 C CB . MET D 1 48 ? 191.831 17.351 34.866 1.00 37.43 ? 48 MET H CB 1 ATOM 4863 C CG . MET D 1 48 ? 192.855 18.052 33.994 1.00 44.59 ? 48 MET H CG 1 ATOM 4864 S SD . MET D 1 48 ? 193.171 17.108 32.502 1.00 48.43 ? 48 MET H SD 1 ATOM 4865 C CE . MET D 1 48 ? 191.715 17.493 31.542 1.00 45.00 ? 48 MET H CE 1 ATOM 4866 N N . GLY D 1 49 ? 190.373 16.616 37.715 1.00 41.94 ? 49 GLY H N 1 ATOM 4867 C CA . GLY D 1 49 ? 189.238 15.957 38.333 1.00 47.71 ? 49 GLY H CA 1 ATOM 4868 C C . GLY D 1 49 ? 189.636 14.600 38.862 1.00 46.16 ? 49 GLY H C 1 ATOM 4869 O O . GLY D 1 49 ? 190.715 14.079 38.572 1.00 44.85 ? 49 GLY H O 1 ATOM 4870 N N . TRP D 1 50 ? 188.744 14.024 39.663 1.00 31.98 ? 50 TRP H N 1 ATOM 4871 C CA . TRP D 1 50 ? 188.956 12.656 40.109 1.00 31.89 ? 50 TRP H CA 1 ATOM 4872 C C . TRP D 1 50 ? 187.824 11.746 39.644 1.00 38.92 ? 50 TRP H C 1 ATOM 4873 O O . TRP D 1 50 ? 186.765 12.201 39.198 1.00 39.41 ? 50 TRP H O 1 ATOM 4874 C CB . TRP D 1 50 ? 189.139 12.565 41.636 1.00 31.98 ? 50 TRP H CB 1 ATOM 4875 C CG . TRP D 1 50 ? 188.083 13.154 42.551 1.00 39.47 ? 50 TRP H CG 1 ATOM 4876 C CD1 . TRP D 1 50 ? 188.221 14.259 43.346 1.00 41.16 ? 50 TRP H CD1 1 ATOM 4877 C CD2 . TRP D 1 50 ? 186.771 12.626 42.832 1.00 42.54 ? 50 TRP H CD2 1 ATOM 4878 N NE1 . TRP D 1 50 ? 187.074 14.465 44.082 1.00 35.49 ? 50 TRP H NE1 1 ATOM 4879 C CE2 . TRP D 1 50 ? 186.172 13.476 43.786 1.00 40.01 ? 50 TRP H CE2 1 ATOM 4880 C CE3 . TRP D 1 50 ? 186.044 11.527 42.360 1.00 43.49 ? 50 TRP H CE3 1 ATOM 4881 C CZ2 . TRP D 1 50 ? 184.878 13.263 44.271 1.00 37.84 ? 50 TRP H CZ2 1 ATOM 4882 C CZ3 . TRP D 1 50 ? 184.764 11.316 42.846 1.00 44.25 ? 50 TRP H CZ3 1 ATOM 4883 C CH2 . TRP D 1 50 ? 184.192 12.181 43.786 1.00 35.05 ? 50 TRP H CH2 1 ATOM 4884 N N . ILE D 1 51 ? 188.081 10.439 39.721 1.00 39.60 ? 51 ILE H N 1 ATOM 4885 C CA . ILE D 1 51 ? 187.078 9.423 39.436 1.00 37.82 ? 51 ILE H CA 1 ATOM 4886 C C . ILE D 1 51 ? 187.144 8.362 40.519 1.00 42.82 ? 51 ILE H C 1 ATOM 4887 O O . ILE D 1 51 ? 188.232 7.944 40.929 1.00 39.77 ? 51 ILE H O 1 ATOM 4888 C CB . ILE D 1 51 ? 187.257 8.782 38.043 1.00 40.08 ? 51 ILE H CB 1 ATOM 4889 C CG1 . ILE D 1 51 ? 186.172 7.726 37.830 1.00 39.94 ? 51 ILE H CG1 1 ATOM 4890 C CG2 . ILE D 1 51 ? 188.660 8.161 37.893 1.00 33.11 ? 51 ILE H CG2 1 ATOM 4891 C CD1 . ILE D 1 51 ? 186.109 7.171 36.433 1.00 42.53 ? 51 ILE H CD1 1 ATOM 4892 N N . ASN D 1 52 ? 185.975 7.934 40.991 1.00 50.26 ? 52 ASN H N 1 ATOM 4893 C CA . ASN D 1 52 ? 185.886 6.832 41.939 1.00 36.62 ? 52 ASN H CA 1 ATOM 4894 C C . ASN D 1 52 ? 185.816 5.541 41.141 1.00 41.43 ? 52 ASN H C 1 ATOM 4895 O O . ASN D 1 52 ? 184.788 5.282 40.503 1.00 46.02 ? 52 ASN H O 1 ATOM 4896 C CB . ASN D 1 52 ? 184.660 6.986 42.823 1.00 36.12 ? 52 ASN H CB 1 ATOM 4897 C CG . ASN D 1 52 ? 184.525 5.886 43.857 1.00 41.59 ? 52 ASN H CG 1 ATOM 4898 O OD1 . ASN D 1 52 ? 184.835 4.725 43.603 1.00 48.48 ? 52 ASN H OD1 1 ATOM 4899 N ND2 . ASN D 1 52 ? 184.033 6.252 45.035 1.00 46.40 ? 52 ASN H ND2 1 ATOM 4900 N N . PRO D 1 53 A 186.855 4.702 41.159 1.00 47.06 ? 52 PRO H N 1 ATOM 4901 C CA . PRO D 1 53 A 186.819 3.460 40.367 1.00 36.27 ? 52 PRO H CA 1 ATOM 4902 C C . PRO D 1 53 A 185.724 2.495 40.776 1.00 44.56 ? 52 PRO H C 1 ATOM 4903 O O . PRO D 1 53 A 185.300 1.660 39.962 1.00 46.48 ? 52 PRO H O 1 ATOM 4904 C CB . PRO D 1 53 A 188.202 2.844 40.617 1.00 36.04 ? 52 PRO H CB 1 ATOM 4905 C CG . PRO D 1 53 A 189.021 3.899 41.181 1.00 39.64 ? 52 PRO H CG 1 ATOM 4906 C CD . PRO D 1 53 A 188.118 4.854 41.891 1.00 48.67 ? 52 PRO H CD 1 ATOM 4907 N N . ASN D 1 54 ? 185.276 2.553 42.031 1.00 43.79 ? 53 ASN H N 1 ATOM 4908 C CA . ASN D 1 54 ? 184.289 1.590 42.500 1.00 44.96 ? 53 ASN H CA 1 ATOM 4909 C C . ASN D 1 54 ? 182.906 1.903 41.942 1.00 45.37 ? 53 ASN H C 1 ATOM 4910 O O . ASN D 1 54 ? 182.181 0.999 41.509 1.00 51.19 ? 53 ASN H O 1 ATOM 4911 C CB . ASN D 1 54 ? 184.271 1.579 44.027 1.00 48.12 ? 53 ASN H CB 1 ATOM 4912 C CG . ASN D 1 54 ? 183.654 0.321 44.587 1.00 51.02 ? 53 ASN H CG 1 ATOM 4913 O OD1 . ASN D 1 54 ? 183.681 -0.729 43.949 1.00 57.05 ? 53 ASN H OD1 1 ATOM 4914 N ND2 . ASN D 1 54 ? 183.090 0.420 45.787 1.00 51.62 ? 53 ASN H ND2 1 ATOM 4915 N N . SER D 1 55 ? 182.538 3.182 41.919 1.00 41.63 ? 54 SER H N 1 ATOM 4916 C CA . SER D 1 55 ? 181.223 3.626 41.482 1.00 49.37 ? 54 SER H CA 1 ATOM 4917 C C . SER D 1 55 ? 181.218 4.280 40.111 1.00 53.04 ? 54 SER H C 1 ATOM 4918 O O . SER D 1 55 ? 180.151 4.373 39.494 1.00 58.08 ? 54 SER H O 1 ATOM 4919 C CB . SER D 1 55 ? 180.647 4.635 42.484 1.00 52.55 ? 54 SER H CB 1 ATOM 4920 O OG . SER D 1 55 ? 181.435 5.819 42.486 1.00 41.57 ? 54 SER H OG 1 ATOM 4921 N N . GLY D 1 56 ? 182.366 4.745 39.627 1.00 48.92 ? 55 GLY H N 1 ATOM 4922 C CA . GLY D 1 56 ? 182.399 5.544 38.429 1.00 38.43 ? 55 GLY H CA 1 ATOM 4923 C C . GLY D 1 56 ? 181.995 6.986 38.629 1.00 47.48 ? 55 GLY H C 1 ATOM 4924 O O . GLY D 1 56 ? 181.909 7.728 37.641 1.00 41.52 ? 55 GLY H O 1 ATOM 4925 N N . GLY D 1 57 ? 181.737 7.400 39.868 1.00 37.80 ? 56 GLY H N 1 ATOM 4926 C CA . GLY D 1 57 ? 181.461 8.801 40.141 1.00 38.05 ? 56 GLY H CA 1 ATOM 4927 C C . GLY D 1 57 ? 182.671 9.678 39.863 1.00 38.57 ? 56 GLY H C 1 ATOM 4928 O O . GLY D 1 57 ? 183.820 9.286 40.072 1.00 37.73 ? 56 GLY H O 1 ATOM 4929 N N . THR D 1 58 ? 182.403 10.874 39.357 1.00 40.44 ? 57 THR H N 1 ATOM 4930 C CA . THR D 1 58 ? 183.445 11.810 38.982 1.00 45.52 ? 57 THR H CA 1 ATOM 4931 C C . THR D 1 58 ? 183.181 13.161 39.629 1.00 51.00 ? 57 THR H C 1 ATOM 4932 O O . THR D 1 58 ? 182.047 13.488 39.989 1.00 54.24 ? 57 THR H O 1 ATOM 4933 C CB . THR D 1 58 ? 183.535 11.974 37.459 1.00 42.03 ? 57 THR H CB 1 ATOM 4934 O OG1 . THR D 1 58 ? 182.274 12.423 36.949 1.00 40.96 ? 57 THR H OG1 1 ATOM 4935 C CG2 . THR D 1 58 ? 183.901 10.655 36.803 1.00 36.01 ? 57 THR H CG2 1 ATOM 4936 N N . ASN D 1 59 ? 184.249 13.936 39.783 1.00 47.69 ? 58 ASN H N 1 ATOM 4937 C CA . ASN D 1 59 ? 184.165 15.337 40.190 1.00 41.39 ? 58 ASN H CA 1 ATOM 4938 C C . ASN D 1 59 ? 185.255 16.064 39.408 1.00 44.53 ? 58 ASN H C 1 ATOM 4939 O O . ASN D 1 59 ? 186.446 15.859 39.664 1.00 41.76 ? 58 ASN H O 1 ATOM 4940 C CB . ASN D 1 59 ? 184.341 15.492 41.694 1.00 35.21 ? 58 ASN H CB 1 ATOM 4941 C CG . ASN D 1 59 ? 184.190 16.931 42.165 1.00 44.50 ? 58 ASN H CG 1 ATOM 4942 O OD1 . ASN D 1 59 ? 183.779 17.818 41.412 1.00 51.94 ? 58 ASN H OD1 1 ATOM 4943 N ND2 . ASN D 1 59 ? 184.518 17.164 43.426 1.00 51.51 ? 58 ASN H ND2 1 ATOM 4944 N N . TYR D 1 60 ? 184.837 16.876 38.437 1.00 39.95 ? 59 TYR H N 1 ATOM 4945 C CA . TYR D 1 60 ? 185.730 17.571 37.525 1.00 38.87 ? 59 TYR H CA 1 ATOM 4946 C C . TYR D 1 60 ? 185.969 18.990 38.008 1.00 49.52 ? 59 TYR H C 1 ATOM 4947 O O . TYR D 1 60 ? 185.104 19.595 38.645 1.00 43.01 ? 59 TYR H O 1 ATOM 4948 C CB . TYR D 1 60 ? 185.137 17.636 36.116 1.00 36.43 ? 59 TYR H CB 1 ATOM 4949 C CG . TYR D 1 60 ? 184.713 16.314 35.533 1.00 37.98 ? 59 TYR H CG 1 ATOM 4950 C CD1 . TYR D 1 60 ? 185.568 15.225 35.542 1.00 44.20 ? 59 TYR H CD1 1 ATOM 4951 C CD2 . TYR D 1 60 ? 183.449 16.155 34.979 1.00 40.75 ? 59 TYR H CD2 1 ATOM 4952 C CE1 . TYR D 1 60 ? 185.179 14.011 35.006 1.00 42.39 ? 59 TYR H CE1 1 ATOM 4953 C CE2 . TYR D 1 60 ? 183.048 14.948 34.437 1.00 41.38 ? 59 TYR H CE2 1 ATOM 4954 C CZ . TYR D 1 60 ? 183.915 13.881 34.456 1.00 41.11 ? 59 TYR H CZ 1 ATOM 4955 O OH . TYR D 1 60 ? 183.524 12.677 33.924 1.00 39.96 ? 59 TYR H OH 1 ATOM 4956 N N . ALA D 1 61 ? 187.143 19.529 37.680 1.00 42.16 ? 60 ALA H N 1 ATOM 4957 C CA . ALA D 1 61 ? 187.362 20.955 37.883 1.00 50.67 ? 60 ALA H CA 1 ATOM 4958 C C . ALA D 1 61 ? 186.421 21.742 36.979 1.00 52.76 ? 60 ALA H C 1 ATOM 4959 O O . ALA D 1 61 ? 186.203 21.372 35.821 1.00 45.57 ? 60 ALA H O 1 ATOM 4960 C CB . ALA D 1 61 ? 188.817 21.326 37.592 1.00 33.99 ? 60 ALA H CB 1 ATOM 4961 N N . GLN D 1 62 ? 185.852 22.829 37.518 1.00 52.63 ? 61 GLN H N 1 ATOM 4962 C CA . GLN D 1 62 ? 184.862 23.609 36.773 1.00 50.37 ? 61 GLN H CA 1 ATOM 4963 C C . GLN D 1 62 ? 185.389 24.066 35.420 1.00 57.65 ? 61 GLN H C 1 ATOM 4964 O O . GLN D 1 62 ? 184.607 24.255 34.481 1.00 61.03 ? 61 GLN H O 1 ATOM 4965 C CB . GLN D 1 62 ? 184.417 24.824 37.588 1.00 46.97 ? 61 GLN H CB 1 ATOM 4966 C CG . GLN D 1 62 ? 183.452 24.496 38.716 1.00 69.96 ? 61 GLN H CG 1 ATOM 4967 C CD . GLN D 1 62 ? 183.071 25.722 39.523 1.00 82.96 ? 61 GLN H CD 1 ATOM 4968 O OE1 . GLN D 1 62 ? 182.744 26.769 38.962 1.00 87.46 ? 61 GLN H OE1 1 ATOM 4969 N NE2 . GLN D 1 62 ? 183.130 25.605 40.847 1.00 81.25 ? 61 GLN H NE2 1 ATOM 4970 N N . LYS D 1 63 ? 186.708 24.237 35.302 1.00 62.47 ? 62 LYS H N 1 ATOM 4971 C CA . LYS D 1 63 ? 187.309 24.651 34.039 1.00 60.69 ? 62 LYS H CA 1 ATOM 4972 C C . LYS D 1 63 ? 186.984 23.679 32.905 1.00 61.17 ? 62 LYS H C 1 ATOM 4973 O O . LYS D 1 63 ? 186.902 24.088 31.743 1.00 60.75 ? 62 LYS H O 1 ATOM 4974 C CB . LYS D 1 63 ? 188.822 24.784 34.228 1.00 53.30 ? 62 LYS H CB 1 ATOM 4975 C CG . LYS D 1 63 ? 189.566 25.489 33.110 1.00 57.31 ? 62 LYS H CG 1 ATOM 4976 C CD . LYS D 1 63 ? 191.071 25.387 33.338 1.00 72.07 ? 62 LYS H CD 1 ATOM 4977 C CE . LYS D 1 63 ? 191.873 26.228 32.347 1.00 77.67 ? 62 LYS H CE 1 ATOM 4978 N NZ . LYS D 1 63 ? 191.809 27.693 32.666 1.00 82.49 1 62 LYS H NZ 1 ATOM 4979 N N . PHE D 1 64 ? 186.770 22.400 33.220 1.00 53.34 ? 63 PHE H N 1 ATOM 4980 C CA . PHE D 1 64 ? 186.611 21.361 32.211 1.00 41.86 ? 63 PHE H CA 1 ATOM 4981 C C . PHE D 1 64 ? 185.213 20.748 32.179 1.00 53.13 ? 63 PHE H C 1 ATOM 4982 O O . PHE D 1 64 ? 184.993 19.788 31.433 1.00 53.79 ? 63 PHE H O 1 ATOM 4983 C CB . PHE D 1 64 ? 187.665 20.269 32.428 1.00 46.86 ? 63 PHE H CB 1 ATOM 4984 C CG . PHE D 1 64 ? 189.082 20.779 32.378 1.00 56.88 ? 63 PHE H CG 1 ATOM 4985 C CD1 . PHE D 1 64 ? 189.709 21.008 31.162 1.00 56.49 ? 63 PHE H CD1 1 ATOM 4986 C CD2 . PHE D 1 64 ? 189.789 21.029 33.545 1.00 62.64 ? 63 PHE H CD2 1 ATOM 4987 C CE1 . PHE D 1 64 ? 191.015 21.479 31.113 1.00 51.51 ? 63 PHE H CE1 1 ATOM 4988 C CE2 . PHE D 1 64 ? 191.096 21.499 33.501 1.00 48.16 ? 63 PHE H CE2 1 ATOM 4989 C CZ . PHE D 1 64 ? 191.705 21.726 32.284 1.00 38.67 ? 63 PHE H CZ 1 ATOM 4990 N N . GLN D 1 65 ? 184.263 21.282 32.955 1.00 56.55 ? 64 GLN H N 1 ATOM 4991 C CA . GLN D 1 65 ? 182.883 20.804 32.914 1.00 54.66 ? 64 GLN H CA 1 ATOM 4992 C C . GLN D 1 65 ? 182.323 20.868 31.500 1.00 52.26 ? 64 GLN H C 1 ATOM 4993 O O . GLN D 1 65 ? 182.289 21.937 30.886 1.00 60.71 ? 64 GLN H O 1 ATOM 4994 C CB . GLN D 1 65 ? 182.002 21.632 33.849 1.00 62.43 ? 64 GLN H CB 1 ATOM 4995 C CG . GLN D 1 65 ? 181.703 20.969 35.165 1.00 67.32 ? 64 GLN H CG 1 ATOM 4996 C CD . GLN D 1 65 ? 180.997 19.635 35.012 1.00 57.47 ? 64 GLN H CD 1 ATOM 4997 O OE1 . GLN D 1 65 ? 181.264 18.694 35.761 1.00 55.41 ? 64 GLN H OE1 1 ATOM 4998 N NE2 . GLN D 1 65 ? 180.081 19.552 34.053 1.00 45.82 ? 64 GLN H NE2 1 ATOM 4999 N N . GLY D 1 66 ? 181.866 19.729 30.991 1.00 56.43 ? 65 GLY H N 1 ATOM 5000 C CA . GLY D 1 66 ? 181.301 19.649 29.666 1.00 61.17 ? 65 GLY H CA 1 ATOM 5001 C C . GLY D 1 66 ? 182.277 19.243 28.580 1.00 60.92 ? 65 GLY H C 1 ATOM 5002 O O . GLY D 1 66 ? 181.840 18.815 27.507 1.00 66.81 ? 65 GLY H O 1 ATOM 5003 N N . ARG D 1 67 ? 183.580 19.361 28.823 1.00 51.17 ? 66 ARG H N 1 ATOM 5004 C CA . ARG D 1 67 ? 184.558 18.921 27.836 1.00 58.09 ? 66 ARG H CA 1 ATOM 5005 C C . ARG D 1 67 ? 185.229 17.617 28.208 1.00 59.15 ? 66 ARG H C 1 ATOM 5006 O O . ARG D 1 67 ? 185.612 16.853 27.315 1.00 71.49 ? 66 ARG H O 1 ATOM 5007 C CB . ARG D 1 67 ? 185.642 19.983 27.624 1.00 60.82 ? 66 ARG H CB 1 ATOM 5008 C CG . ARG D 1 67 ? 185.144 21.220 26.927 1.00 61.56 ? 66 ARG H CG 1 ATOM 5009 C CD . ARG D 1 67 ? 186.235 21.881 26.110 1.00 59.73 ? 66 ARG H CD 1 ATOM 5010 N NE . ARG D 1 67 ? 187.321 22.414 26.926 1.00 56.95 ? 66 ARG H NE 1 ATOM 5011 C CZ . ARG D 1 67 ? 188.604 22.110 26.753 1.00 56.16 ? 66 ARG H CZ 1 ATOM 5012 N NH1 . ARG D 1 67 ? 188.969 21.272 25.791 1.00 53.41 1 66 ARG H NH1 1 ATOM 5013 N NH2 . ARG D 1 67 ? 189.527 22.651 27.536 1.00 49.91 ? 66 ARG H NH2 1 ATOM 5014 N N . VAL D 1 68 ? 185.376 17.347 29.487 1.00 53.33 ? 67 VAL H N 1 ATOM 5015 C CA . VAL D 1 68 ? 186.113 16.184 29.950 1.00 50.75 ? 67 VAL H CA 1 ATOM 5016 C C . VAL D 1 68 ? 185.124 15.102 30.349 1.00 48.14 ? 67 VAL H C 1 ATOM 5017 O O . VAL D 1 68 ? 184.016 15.378 30.826 1.00 57.35 ? 67 VAL H O 1 ATOM 5018 C CB . VAL D 1 68 ? 187.049 16.549 31.120 1.00 47.83 ? 67 VAL H CB 1 ATOM 5019 C CG1 . VAL D 1 68 ? 186.243 16.800 32.386 1.00 43.77 ? 67 VAL H CG1 1 ATOM 5020 C CG2 . VAL D 1 68 ? 188.066 15.448 31.338 1.00 46.99 ? 67 VAL H CG2 1 ATOM 5021 N N . THR D 1 69 ? 185.525 13.852 30.135 1.00 48.32 ? 68 THR H N 1 ATOM 5022 C CA . THR D 1 69 ? 184.753 12.697 30.576 1.00 53.01 ? 68 THR H CA 1 ATOM 5023 C C . THR D 1 69 ? 185.721 11.645 31.092 1.00 55.03 ? 68 THR H C 1 ATOM 5024 O O . THR D 1 69 ? 186.578 11.173 30.338 1.00 54.57 ? 68 THR H O 1 ATOM 5025 C CB . THR D 1 69 ? 183.902 12.124 29.441 1.00 51.44 ? 68 THR H CB 1 ATOM 5026 O OG1 . THR D 1 69 ? 183.046 13.145 28.920 1.00 62.86 ? 68 THR H OG1 1 ATOM 5027 C CG2 . THR D 1 69 ? 183.054 10.984 29.957 1.00 40.37 ? 68 THR H CG2 1 ATOM 5028 N N . MET D 1 70 ? 185.588 11.278 32.364 1.00 48.99 ? 69 MET H N 1 ATOM 5029 C CA . MET D 1 70 ? 186.423 10.249 32.971 1.00 41.55 ? 69 MET H CA 1 ATOM 5030 C C . MET D 1 70 ? 185.606 8.985 33.181 1.00 48.88 ? 69 MET H C 1 ATOM 5031 O O . MET D 1 70 ? 184.532 9.026 33.792 1.00 64.94 ? 69 MET H O 1 ATOM 5032 C CB . MET D 1 70 ? 187.012 10.721 34.298 1.00 36.92 ? 69 MET H CB 1 ATOM 5033 C CG . MET D 1 70 ? 187.984 11.863 34.148 1.00 40.80 ? 69 MET H CG 1 ATOM 5034 S SD . MET D 1 70 ? 188.547 12.499 35.732 1.00 48.70 ? 69 MET H SD 1 ATOM 5035 C CE . MET D 1 70 ? 189.338 14.023 35.217 1.00 43.97 ? 69 MET H CE 1 ATOM 5036 N N . THR D 1 71 ? 186.115 7.868 32.668 1.00 47.71 ? 70 THR H N 1 ATOM 5037 C CA . THR D 1 71 ? 185.518 6.555 32.840 1.00 47.94 ? 70 THR H CA 1 ATOM 5038 C C . THR D 1 71 ? 186.606 5.581 33.273 1.00 48.36 ? 70 THR H C 1 ATOM 5039 O O . THR D 1 71 ? 187.780 5.945 33.412 1.00 47.88 ? 70 THR H O 1 ATOM 5040 C CB . THR D 1 71 ? 184.826 6.075 31.553 1.00 39.45 ? 70 THR H CB 1 ATOM 5041 O OG1 . THR D 1 71 ? 185.744 6.149 30.456 1.00 60.76 ? 70 THR H OG1 1 ATOM 5042 C CG2 . THR D 1 71 ? 183.616 6.931 31.248 1.00 40.35 ? 70 THR H CG2 1 ATOM 5043 N N . ARG D 1 72 ? 186.208 4.331 33.495 1.00 38.26 ? 71 ARG H N 1 ATOM 5044 C CA . ARG D 1 72 ? 187.161 3.288 33.837 1.00 51.06 ? 71 ARG H CA 1 ATOM 5045 C C . ARG D 1 72 ? 186.521 1.940 33.555 1.00 54.13 ? 71 ARG H C 1 ATOM 5046 O O . ARG D 1 72 ? 185.298 1.821 33.460 1.00 47.24 ? 71 ARG H O 1 ATOM 5047 C CB . ARG D 1 72 ? 187.614 3.385 35.298 1.00 50.15 ? 71 ARG H CB 1 ATOM 5048 C CG . ARG D 1 72 ? 186.766 2.619 36.292 1.00 47.41 ? 71 ARG H CG 1 ATOM 5049 C CD . ARG D 1 72 ? 185.351 3.150 36.402 1.00 47.03 ? 71 ARG H CD 1 ATOM 5050 N NE . ARG D 1 72 ? 184.576 2.314 37.307 1.00 50.13 ? 71 ARG H NE 1 ATOM 5051 C CZ . ARG D 1 72 ? 183.264 2.119 37.219 1.00 57.13 ? 71 ARG H CZ 1 ATOM 5052 N NH1 . ARG D 1 72 ? 182.660 1.336 38.103 1.00 42.36 1 71 ARG H NH1 1 ATOM 5053 N NH2 . ARG D 1 72 ? 182.557 2.692 36.250 1.00 40.95 ? 71 ARG H NH2 1 ATOM 5054 N N . ASP D 1 73 ? 187.369 0.927 33.417 1.00 55.13 ? 72 ASP H N 1 ATOM 5055 C CA . ASP D 1 73 ? 186.953 -0.439 33.109 1.00 49.35 ? 72 ASP H CA 1 ATOM 5056 C C . ASP D 1 73 ? 187.580 -1.330 34.177 1.00 51.24 ? 72 ASP H C 1 ATOM 5057 O O . ASP D 1 73 ? 188.749 -1.717 34.066 1.00 54.10 ? 72 ASP H O 1 ATOM 5058 C CB . ASP D 1 73 ? 187.390 -0.842 31.701 1.00 54.19 ? 72 ASP H CB 1 ATOM 5059 C CG . ASP D 1 73 ? 186.814 -2.176 31.260 1.00 75.85 ? 72 ASP H CG 1 ATOM 5060 O OD1 . ASP D 1 73 ? 186.240 -2.901 32.107 1.00 83.45 ? 72 ASP H OD1 1 ATOM 5061 O OD2 . ASP D 1 73 ? 186.943 -2.500 30.058 1.00 84.06 -1 72 ASP H OD2 1 ATOM 5062 N N . THR D 1 74 ? 186.797 -1.655 35.208 1.00 47.46 ? 73 THR H N 1 ATOM 5063 C CA . THR D 1 74 ? 187.346 -2.364 36.359 1.00 51.04 ? 73 THR H CA 1 ATOM 5064 C C . THR D 1 74 ? 187.866 -3.749 35.985 1.00 60.73 ? 73 THR H C 1 ATOM 5065 O O . THR D 1 74 ? 188.797 -4.252 36.625 1.00 66.17 ? 73 THR H O 1 ATOM 5066 C CB . THR D 1 74 ? 186.291 -2.458 37.461 1.00 46.74 ? 73 THR H CB 1 ATOM 5067 O OG1 . THR D 1 74 ? 185.081 -3.000 36.917 1.00 51.91 ? 73 THR H OG1 1 ATOM 5068 C CG2 . THR D 1 74 ? 186.009 -1.072 38.044 1.00 42.91 ? 73 THR H CG2 1 ATOM 5069 N N . SER D 1 75 ? 187.307 -4.366 34.937 1.00 56.93 ? 74 SER H N 1 ATOM 5070 C CA . SER D 1 75 ? 187.723 -5.711 34.547 1.00 68.03 ? 74 SER H CA 1 ATOM 5071 C C . SER D 1 75 ? 189.153 -5.756 34.010 1.00 65.79 ? 74 SER H C 1 ATOM 5072 O O . SER D 1 75 ? 189.796 -6.809 34.084 1.00 75.79 ? 74 SER H O 1 ATOM 5073 C CB . SER D 1 75 ? 186.746 -6.286 33.513 1.00 70.88 ? 74 SER H CB 1 ATOM 5074 O OG . SER D 1 75 ? 186.616 -5.442 32.379 1.00 70.96 ? 74 SER H OG 1 ATOM 5075 N N . ILE D 1 76 ? 189.665 -4.651 33.467 1.00 64.60 ? 75 ILE H N 1 ATOM 5076 C CA . ILE D 1 76 ? 191.043 -4.576 33.001 1.00 59.64 ? 75 ILE H CA 1 ATOM 5077 C C . ILE D 1 76 ? 191.842 -3.517 33.749 1.00 59.21 ? 75 ILE H C 1 ATOM 5078 O O . ILE D 1 76 ? 192.950 -3.179 33.336 1.00 57.80 ? 75 ILE H O 1 ATOM 5079 C CB . ILE D 1 76 ? 191.107 -4.337 31.479 1.00 62.34 ? 75 ILE H CB 1 ATOM 5080 C CG1 . ILE D 1 76 ? 190.614 -2.931 31.130 1.00 72.16 ? 75 ILE H CG1 1 ATOM 5081 C CG2 . ILE D 1 76 ? 190.288 -5.383 30.737 1.00 47.97 ? 75 ILE H CG2 1 ATOM 5082 C CD1 . ILE D 1 76 ? 190.483 -2.682 29.641 1.00 44.86 ? 75 ILE H CD1 1 ATOM 5083 N N . SER D 1 77 ? 191.287 -2.973 34.838 1.00 60.19 ? 76 SER H N 1 ATOM 5084 C CA . SER D 1 77 ? 191.998 -2.056 35.736 1.00 52.57 ? 76 SER H CA 1 ATOM 5085 C C . SER D 1 77 ? 192.546 -0.843 34.992 1.00 46.91 ? 76 SER H C 1 ATOM 5086 O O . SER D 1 77 ? 193.662 -0.388 35.249 1.00 50.35 ? 76 SER H O 1 ATOM 5087 C CB . SER D 1 77 ? 193.118 -2.778 36.483 1.00 56.06 ? 76 SER H CB 1 ATOM 5088 O OG . SER D 1 77 ? 192.600 -3.866 37.224 1.00 71.90 ? 76 SER H OG 1 ATOM 5089 N N . THR D 1 78 ? 191.754 -0.311 34.066 1.00 45.31 ? 77 THR H N 1 ATOM 5090 C CA . THR D 1 78 ? 192.170 0.791 33.210 1.00 50.03 ? 77 THR H CA 1 ATOM 5091 C C . THR D 1 78 ? 191.235 1.971 33.419 1.00 54.66 ? 77 THR H C 1 ATOM 5092 O O . THR D 1 78 ? 190.009 1.808 33.417 1.00 48.43 ? 77 THR H O 1 ATOM 5093 C CB . THR D 1 78 ? 192.169 0.386 31.730 1.00 55.21 ? 77 THR H CB 1 ATOM 5094 O OG1 . THR D 1 78 ? 193.068 -0.712 31.522 1.00 61.79 ? 77 THR H OG1 1 ATOM 5095 C CG2 . THR D 1 78 ? 192.603 1.551 30.871 1.00 43.51 ? 77 THR H CG2 1 ATOM 5096 N N . ALA D 1 79 ? 191.815 3.150 33.603 1.00 47.38 ? 78 ALA H N 1 ATOM 5097 C CA . ALA D 1 79 ? 191.068 4.392 33.669 1.00 37.67 ? 78 ALA H CA 1 ATOM 5098 C C . ALA D 1 79 ? 191.203 5.137 32.347 1.00 49.59 ? 78 ALA H C 1 ATOM 5099 O O . ALA D 1 79 ? 192.164 4.941 31.597 1.00 49.25 ? 78 ALA H O 1 ATOM 5100 C CB . ALA D 1 79 ? 191.565 5.260 34.826 1.00 37.20 ? 78 ALA H CB 1 ATOM 5101 N N . TYR D 1 80 ? 190.228 5.994 32.065 1.00 48.26 ? 79 TYR H N 1 ATOM 5102 C CA . TYR D 1 80 ? 190.174 6.717 30.806 1.00 35.24 ? 79 TYR H CA 1 ATOM 5103 C C . TYR D 1 80 ? 189.830 8.172 31.053 1.00 47.80 ? 79 TYR H C 1 ATOM 5104 O O . TYR D 1 80 ? 189.021 8.501 31.929 1.00 52.72 ? 79 TYR H O 1 ATOM 5105 C CB . TYR D 1 80 ? 189.142 6.132 29.842 1.00 42.40 ? 79 TYR H CB 1 ATOM 5106 C CG . TYR D 1 80 ? 189.369 4.686 29.490 1.00 52.04 ? 79 TYR H CG 1 ATOM 5107 C CD1 . TYR D 1 80 ? 188.601 3.685 30.070 1.00 48.97 ? 79 TYR H CD1 1 ATOM 5108 C CD2 . TYR D 1 80 ? 190.343 4.320 28.564 1.00 55.75 ? 79 TYR H CD2 1 ATOM 5109 C CE1 . TYR D 1 80 ? 188.800 2.355 29.746 1.00 61.95 ? 79 TYR H CE1 1 ATOM 5110 C CE2 . TYR D 1 80 ? 190.547 2.997 28.230 1.00 55.71 ? 79 TYR H CE2 1 ATOM 5111 C CZ . TYR D 1 80 ? 189.774 2.018 28.827 1.00 57.80 ? 79 TYR H CZ 1 ATOM 5112 O OH . TYR D 1 80 ? 189.972 0.695 28.510 1.00 55.96 ? 79 TYR H OH 1 ATOM 5113 N N . MET D 1 81 ? 190.446 9.032 30.256 1.00 41.07 ? 80 MET H N 1 ATOM 5114 C CA . MET D 1 81 ? 190.188 10.460 30.270 1.00 39.18 ? 80 MET H CA 1 ATOM 5115 C C . MET D 1 81 ? 189.957 10.885 28.829 1.00 46.34 ? 80 MET H C 1 ATOM 5116 O O . MET D 1 81 ? 190.798 10.625 27.962 1.00 56.65 ? 80 MET H O 1 ATOM 5117 C CB . MET D 1 81 ? 191.367 11.211 30.902 1.00 35.35 ? 80 MET H CB 1 ATOM 5118 C CG . MET D 1 81 ? 191.104 12.671 31.285 1.00 56.05 ? 80 MET H CG 1 ATOM 5119 S SD . MET D 1 81 ? 191.184 13.818 29.889 1.00 73.36 ? 80 MET H SD 1 ATOM 5120 C CE . MET D 1 81 ? 192.806 13.447 29.213 1.00 68.77 ? 80 MET H CE 1 ATOM 5121 N N . GLU D 1 82 ? 188.815 11.503 28.561 1.00 40.72 ? 81 GLU H N 1 ATOM 5122 C CA . GLU D 1 82 ? 188.499 11.981 27.223 1.00 50.25 ? 81 GLU H CA 1 ATOM 5123 C C . GLU D 1 82 ? 188.256 13.477 27.291 1.00 48.79 ? 81 GLU H C 1 ATOM 5124 O O . GLU D 1 82 ? 187.444 13.939 28.097 1.00 52.65 ? 81 GLU H O 1 ATOM 5125 C CB . GLU D 1 82 ? 187.283 11.263 26.641 1.00 48.39 ? 81 GLU H CB 1 ATOM 5126 C CG . GLU D 1 82 ? 186.840 11.812 25.304 1.00 54.95 ? 81 GLU H CG 1 ATOM 5127 C CD . GLU D 1 82 ? 185.761 10.969 24.659 1.00 73.06 ? 81 GLU H CD 1 ATOM 5128 O OE1 . GLU D 1 82 ? 185.367 9.943 25.257 1.00 77.94 ? 81 GLU H OE1 1 ATOM 5129 O OE2 . GLU D 1 82 ? 185.307 11.334 23.554 1.00 82.44 -1 81 GLU H OE2 1 ATOM 5130 N N . LEU D 1 83 ? 188.976 14.228 26.467 1.00 44.11 ? 82 LEU H N 1 ATOM 5131 C CA . LEU D 1 83 ? 188.840 15.672 26.393 1.00 48.18 ? 82 LEU H CA 1 ATOM 5132 C C . LEU D 1 83 ? 188.379 16.031 24.991 1.00 51.91 ? 82 LEU H C 1 ATOM 5133 O O . LEU D 1 83 ? 188.983 15.595 24.005 1.00 62.36 ? 82 LEU H O 1 ATOM 5134 C CB . LEU D 1 83 ? 190.162 16.365 26.728 1.00 43.34 ? 82 LEU H CB 1 ATOM 5135 C CG . LEU D 1 83 ? 190.063 17.879 26.883 1.00 48.87 ? 82 LEU H CG 1 ATOM 5136 C CD1 . LEU D 1 83 ? 189.116 18.236 28.025 1.00 44.47 ? 82 LEU H CD1 1 ATOM 5137 C CD2 . LEU D 1 83 ? 191.444 18.467 27.113 1.00 45.30 ? 82 LEU H CD2 1 ATOM 5138 N N . SER D 1 84 A 187.304 16.800 24.900 1.00 52.40 ? 82 SER H N 1 ATOM 5139 C CA . SER D 1 84 A 186.674 17.077 23.620 1.00 56.86 ? 82 SER H CA 1 ATOM 5140 C C . SER D 1 84 A 186.740 18.567 23.317 1.00 57.50 ? 82 SER H C 1 ATOM 5141 O O . SER D 1 84 A 187.037 19.394 24.184 1.00 56.09 ? 82 SER H O 1 ATOM 5142 C CB . SER D 1 84 A 185.220 16.590 23.607 1.00 58.19 ? 82 SER H CB 1 ATOM 5143 O OG . SER D 1 84 A 184.381 17.493 24.302 1.00 66.07 ? 82 SER H OG 1 ATOM 5144 N N . ARG D 1 85 B 186.458 18.901 22.059 1.00 59.57 ? 82 ARG H N 1 ATOM 5145 C CA . ARG D 1 85 B 186.516 20.276 21.572 1.00 60.35 ? 82 ARG H CA 1 ATOM 5146 C C . ARG D 1 85 B 187.889 20.891 21.850 1.00 58.00 ? 82 ARG H C 1 ATOM 5147 O O . ARG D 1 85 B 188.028 21.943 22.478 1.00 59.15 ? 82 ARG H O 1 ATOM 5148 C CB . ARG D 1 85 B 185.379 21.102 22.177 1.00 58.37 ? 82 ARG H CB 1 ATOM 5149 C CG . ARG D 1 85 B 184.057 20.842 21.493 1.00 58.64 ? 82 ARG H CG 1 ATOM 5150 C CD . ARG D 1 85 B 182.908 21.553 22.171 1.00 63.89 ? 82 ARG H CD 1 ATOM 5151 N NE . ARG D 1 85 B 182.373 20.763 23.273 1.00 74.87 ? 82 ARG H NE 1 ATOM 5152 C CZ . ARG D 1 85 B 182.444 21.114 24.551 1.00 82.08 ? 82 ARG H CZ 1 ATOM 5153 N NH1 . ARG D 1 85 B 183.018 22.260 24.900 1.00 81.60 1 82 ARG H NH1 1 ATOM 5154 N NH2 . ARG D 1 85 B 181.928 20.320 25.479 1.00 84.15 ? 82 ARG H NH2 1 ATOM 5155 N N . LEU D 1 86 C 188.907 20.205 21.339 1.00 63.35 ? 82 LEU H N 1 ATOM 5156 C CA . LEU D 1 86 C 190.296 20.548 21.610 1.00 68.38 ? 82 LEU H CA 1 ATOM 5157 C C . LEU D 1 86 C 190.677 21.913 21.042 1.00 68.67 ? 82 LEU H C 1 ATOM 5158 O O . LEU D 1 86 C 190.323 22.261 19.912 1.00 67.49 ? 82 LEU H O 1 ATOM 5159 C CB . LEU D 1 86 C 191.212 19.477 21.020 1.00 63.10 ? 82 LEU H CB 1 ATOM 5160 C CG . LEU D 1 86 C 191.837 18.435 21.943 1.00 56.77 ? 82 LEU H CG 1 ATOM 5161 C CD1 . LEU D 1 86 C 191.234 18.477 23.331 1.00 53.12 ? 82 LEU H CD1 1 ATOM 5162 C CD2 . LEU D 1 86 C 191.713 17.048 21.319 1.00 49.48 ? 82 LEU H CD2 1 ATOM 5163 N N . ARG D 1 87 ? 191.416 22.680 21.836 1.00 59.96 ? 83 ARG H N 1 ATOM 5164 C CA . ARG D 1 87 ? 192.027 23.933 21.423 1.00 59.60 ? 83 ARG H CA 1 ATOM 5165 C C . ARG D 1 87 ? 193.543 23.800 21.529 1.00 61.60 ? 83 ARG H C 1 ATOM 5166 O O . ARG D 1 87 ? 194.062 22.837 22.101 1.00 56.16 ? 83 ARG H O 1 ATOM 5167 C CB . ARG D 1 87 ? 191.529 25.101 22.284 1.00 67.94 ? 83 ARG H CB 1 ATOM 5168 C CG . ARG D 1 87 ? 190.030 25.123 22.491 1.00 79.85 ? 83 ARG H CG 1 ATOM 5169 C CD . ARG D 1 87 ? 189.596 26.388 23.210 1.00 92.51 ? 83 ARG H CD 1 ATOM 5170 N NE . ARG D 1 87 ? 190.079 26.430 24.587 1.00 93.29 ? 83 ARG H NE 1 ATOM 5171 C CZ . ARG D 1 87 ? 189.336 26.122 25.644 1.00 94.86 ? 83 ARG H CZ 1 ATOM 5172 N NH1 . ARG D 1 87 ? 189.858 26.193 26.861 1.00 94.10 1 83 ARG H NH1 1 ATOM 5173 N NH2 . ARG D 1 87 ? 188.070 25.753 25.483 1.00 91.50 ? 83 ARG H NH2 1 ATOM 5174 N N . SER D 1 88 ? 194.260 24.786 20.974 1.00 70.37 ? 84 SER H N 1 ATOM 5175 C CA . SER D 1 88 ? 195.721 24.706 20.950 1.00 60.09 ? 84 SER H CA 1 ATOM 5176 C C . SER D 1 88 ? 196.298 24.671 22.359 1.00 54.60 ? 84 SER H C 1 ATOM 5177 O O . SER D 1 88 ? 197.218 23.892 22.638 1.00 53.02 ? 84 SER H O 1 ATOM 5178 C CB . SER D 1 88 ? 196.309 25.870 20.151 1.00 61.76 ? 84 SER H CB 1 ATOM 5179 O OG . SER D 1 88 ? 195.656 27.087 20.470 1.00 77.94 ? 84 SER H OG 1 ATOM 5180 N N . ASP D 1 89 ? 195.746 25.483 23.275 1.00 48.31 ? 85 ASP H N 1 ATOM 5181 C CA . ASP D 1 89 ? 196.177 25.507 24.674 1.00 48.27 ? 85 ASP H CA 1 ATOM 5182 C C . ASP D 1 89 ? 195.758 24.230 25.472 1.00 53.25 ? 85 ASP H C 1 ATOM 5183 O O . ASP D 1 89 ? 195.931 24.167 26.698 1.00 56.66 ? 85 ASP H O 1 ATOM 5184 C CB . ASP D 1 89 ? 195.646 26.767 25.362 1.00 61.69 ? 85 ASP H CB 1 ATOM 5185 C CG . ASP D 1 89 ? 194.143 26.912 25.239 1.00 81.21 ? 85 ASP H CG 1 ATOM 5186 O OD1 . ASP D 1 89 ? 193.520 27.441 26.185 1.00 75.28 ? 85 ASP H OD1 1 ATOM 5187 O OD2 . ASP D 1 89 ? 193.589 26.500 24.197 1.00 99.43 -1 85 ASP H OD2 1 ATOM 5188 N N . ASP D 1 90 ? 195.190 23.211 24.829 1.00 52.96 ? 86 ASP H N 1 ATOM 5189 C CA . ASP D 1 90 ? 195.079 21.897 25.445 1.00 52.52 ? 86 ASP H CA 1 ATOM 5190 C C . ASP D 1 90 ? 196.330 21.060 25.223 1.00 50.71 ? 86 ASP H C 1 ATOM 5191 O O . ASP D 1 90 ? 196.423 19.946 25.753 1.00 49.62 ? 86 ASP H O 1 ATOM 5192 C CB . ASP D 1 90 ? 193.845 21.165 24.907 1.00 54.47 ? 86 ASP H CB 1 ATOM 5193 C CG . ASP D 1 90 ? 192.547 21.821 25.344 1.00 66.37 ? 86 ASP H CG 1 ATOM 5194 O OD1 . ASP D 1 90 ? 192.456 22.222 26.524 1.00 69.55 ? 86 ASP H OD1 1 ATOM 5195 O OD2 . ASP D 1 90 ? 191.625 21.951 24.509 1.00 70.73 -1 86 ASP H OD2 1 ATOM 5196 N N . THR D 1 91 ? 197.281 21.568 24.444 1.00 55.04 ? 87 THR H N 1 ATOM 5197 C CA . THR D 1 91 ? 198.570 20.913 24.298 1.00 48.14 ? 87 THR H CA 1 ATOM 5198 C C . THR D 1 91 ? 199.239 20.809 25.657 1.00 42.73 ? 87 THR H C 1 ATOM 5199 O O . THR D 1 91 ? 199.485 21.827 26.314 1.00 48.19 ? 87 THR H O 1 ATOM 5200 C CB . THR D 1 91 ? 199.451 21.694 23.326 1.00 47.23 ? 87 THR H CB 1 ATOM 5201 O OG1 . THR D 1 91 ? 198.903 21.601 22.004 1.00 52.57 ? 87 THR H OG1 1 ATOM 5202 C CG2 . THR D 1 91 ? 200.855 21.136 23.329 1.00 28.94 ? 87 THR H CG2 1 ATOM 5203 N N . ALA D 1 92 ? 199.518 19.580 26.079 1.00 39.89 ? 88 ALA H N 1 ATOM 5204 C CA . ALA D 1 92 ? 200.069 19.331 27.402 1.00 44.77 ? 88 ALA H CA 1 ATOM 5205 C C . ALA D 1 92 ? 200.405 17.857 27.530 1.00 36.11 ? 88 ALA H C 1 ATOM 5206 O O . ALA D 1 92 ? 200.003 17.033 26.703 1.00 37.26 ? 88 ALA H O 1 ATOM 5207 C CB . ALA D 1 92 ? 199.092 19.737 28.510 1.00 45.31 ? 88 ALA H CB 1 ATOM 5208 N N . VAL D 1 93 ? 201.164 17.544 28.577 1.00 34.94 ? 89 VAL H N 1 ATOM 5209 C CA . VAL D 1 93 ? 201.333 16.169 29.038 1.00 38.66 ? 89 VAL H CA 1 ATOM 5210 C C . VAL D 1 93 ? 200.209 15.847 30.016 1.00 47.43 ? 89 VAL H C 1 ATOM 5211 O O . VAL D 1 93 ? 199.946 16.614 30.951 1.00 43.03 ? 89 VAL H O 1 ATOM 5212 C CB . VAL D 1 93 ? 202.713 15.984 29.691 1.00 37.04 ? 89 VAL H CB 1 ATOM 5213 C CG1 . VAL D 1 93 ? 202.860 14.574 30.269 1.00 30.57 ? 89 VAL H CG1 1 ATOM 5214 C CG2 . VAL D 1 93 ? 203.821 16.293 28.688 1.00 39.44 ? 89 VAL H CG2 1 ATOM 5215 N N . TYR D 1 94 ? 199.535 14.721 29.802 1.00 44.47 ? 90 TYR H N 1 ATOM 5216 C CA . TYR D 1 94 ? 198.402 14.315 30.626 1.00 42.26 ? 90 TYR H CA 1 ATOM 5217 C C . TYR D 1 94 ? 198.788 13.111 31.476 1.00 46.92 ? 90 TYR H C 1 ATOM 5218 O O . TYR D 1 94 ? 199.272 12.100 30.953 1.00 41.34 ? 90 TYR H O 1 ATOM 5219 C CB . TYR D 1 94 ? 197.171 14.002 29.762 1.00 33.12 ? 90 TYR H CB 1 ATOM 5220 C CG . TYR D 1 94 ? 196.547 15.249 29.166 1.00 34.64 ? 90 TYR H CG 1 ATOM 5221 C CD1 . TYR D 1 94 ? 197.136 15.897 28.090 1.00 40.24 ? 90 TYR H CD1 1 ATOM 5222 C CD2 . TYR D 1 94 ? 195.387 15.792 29.696 1.00 29.51 ? 90 TYR H CD2 1 ATOM 5223 C CE1 . TYR D 1 94 ? 196.587 17.047 27.553 1.00 42.84 ? 90 TYR H CE1 1 ATOM 5224 C CE2 . TYR D 1 94 ? 194.831 16.939 29.164 1.00 40.15 ? 90 TYR H CE2 1 ATOM 5225 C CZ . TYR D 1 94 ? 195.434 17.558 28.091 1.00 39.63 ? 90 TYR H CZ 1 ATOM 5226 O OH . TYR D 1 94 ? 194.891 18.700 27.557 1.00 41.92 ? 90 TYR H OH 1 ATOM 5227 N N . TYR D 1 95 ? 198.565 13.229 32.784 1.00 37.30 ? 91 TYR H N 1 ATOM 5228 C CA . TYR D 1 95 ? 198.953 12.234 33.775 1.00 41.77 ? 91 TYR H CA 1 ATOM 5229 C C . TYR D 1 95 ? 197.727 11.680 34.487 1.00 42.46 ? 91 TYR H C 1 ATOM 5230 O O . TYR D 1 95 ? 196.856 12.446 34.911 1.00 36.30 ? 91 TYR H O 1 ATOM 5231 C CB . TYR D 1 95 ? 199.869 12.835 34.844 1.00 38.41 ? 91 TYR H CB 1 ATOM 5232 C CG . TYR D 1 95 ? 201.227 13.308 34.389 1.00 39.85 ? 91 TYR H CG 1 ATOM 5233 C CD1 . TYR D 1 95 ? 202.259 12.406 34.181 1.00 40.65 ? 91 TYR H CD1 1 ATOM 5234 C CD2 . TYR D 1 95 ? 201.498 14.661 34.234 1.00 35.77 ? 91 TYR H CD2 1 ATOM 5235 C CE1 . TYR D 1 95 ? 203.511 12.832 33.798 1.00 39.82 ? 91 TYR H CE1 1 ATOM 5236 C CE2 . TYR D 1 95 ? 202.755 15.096 33.847 1.00 43.72 ? 91 TYR H CE2 1 ATOM 5237 C CZ . TYR D 1 95 ? 203.753 14.174 33.629 1.00 42.12 ? 91 TYR H CZ 1 ATOM 5238 O OH . TYR D 1 95 ? 205.005 14.582 33.241 1.00 45.44 ? 91 TYR H OH 1 ATOM 5239 N N . CYS D 1 96 ? 197.673 10.357 34.649 1.00 48.21 ? 92 CYS H N 1 ATOM 5240 C CA . CYS D 1 96 ? 196.835 9.760 35.685 1.00 56.31 ? 92 CYS H CA 1 ATOM 5241 C C . CYS D 1 96 ? 197.681 9.582 36.938 1.00 52.67 ? 92 CYS H C 1 ATOM 5242 O O . CYS D 1 96 ? 198.877 9.279 36.858 1.00 48.63 ? 92 CYS H O 1 ATOM 5243 C CB . CYS D 1 96 ? 196.245 8.413 35.257 1.00 48.32 ? 92 CYS H CB 1 ATOM 5244 S SG . CYS D 1 96 ? 197.498 7.164 34.907 1.00 66.53 ? 92 CYS H SG 1 ATOM 5245 N N . ALA D 1 97 ? 197.058 9.785 38.097 1.00 42.28 ? 93 ALA H N 1 ATOM 5246 C CA . ALA D 1 97 ? 197.765 9.726 39.365 1.00 40.19 ? 93 ALA H CA 1 ATOM 5247 C C . ALA D 1 97 ? 196.861 9.097 40.410 1.00 41.64 ? 93 ALA H C 1 ATOM 5248 O O . ALA D 1 97 ? 195.670 9.409 40.483 1.00 51.60 ? 93 ALA H O 1 ATOM 5249 C CB . ALA D 1 97 ? 198.225 11.122 39.822 1.00 34.27 ? 93 ALA H CB 1 ATOM 5250 N N . LYS D 1 98 ? 197.440 8.216 41.221 1.00 37.88 ? 94 LYS H N 1 ATOM 5251 C CA . LYS D 1 98 ? 196.710 7.472 42.238 1.00 41.18 ? 94 LYS H CA 1 ATOM 5252 C C . LYS D 1 98 ? 196.908 8.137 43.597 1.00 53.71 ? 94 LYS H C 1 ATOM 5253 O O . LYS D 1 98 ? 198.041 8.271 44.070 1.00 52.68 ? 94 LYS H O 1 ATOM 5254 C CB . LYS D 1 98 ? 197.175 6.018 42.267 1.00 33.41 ? 94 LYS H CB 1 ATOM 5255 C CG . LYS D 1 98 ? 196.814 5.272 43.515 1.00 39.41 ? 94 LYS H CG 1 ATOM 5256 C CD . LYS D 1 98 ? 197.461 3.900 43.527 1.00 44.52 ? 94 LYS H CD 1 ATOM 5257 C CE . LYS D 1 98 ? 197.534 3.378 44.938 1.00 48.20 ? 94 LYS H CE 1 ATOM 5258 N NZ . LYS D 1 98 ? 198.081 4.439 45.829 1.00 53.02 1 94 LYS H NZ 1 ATOM 5259 N N . ILE D 1 99 ? 195.806 8.560 44.207 1.00 45.16 ? 95 ILE H N 1 ATOM 5260 C CA . ILE D 1 99 ? 195.823 9.144 45.540 1.00 40.43 ? 95 ILE H CA 1 ATOM 5261 C C . ILE D 1 99 ? 196.122 8.058 46.569 1.00 44.13 ? 95 ILE H C 1 ATOM 5262 O O . ILE D 1 99 ? 195.775 6.881 46.397 1.00 47.27 ? 95 ILE H O 1 ATOM 5263 C CB . ILE D 1 99 ? 194.478 9.846 45.820 1.00 36.39 ? 95 ILE H CB 1 ATOM 5264 C CG1 . ILE D 1 99 ? 194.617 10.876 46.943 1.00 36.67 ? 95 ILE H CG1 1 ATOM 5265 C CG2 . ILE D 1 99 ? 193.396 8.831 46.142 1.00 34.04 ? 95 ILE H CG2 1 ATOM 5266 C CD1 . ILE D 1 99 ? 195.540 12.022 46.593 1.00 44.28 ? 95 ILE H CD1 1 ATOM 5267 N N . SER D 1 100 ? 196.791 8.450 47.643 1.00 43.03 ? 96 SER H N 1 ATOM 5268 C CA . SER D 1 100 ? 197.144 7.558 48.738 1.00 44.61 ? 96 SER H CA 1 ATOM 5269 C C . SER D 1 100 ? 196.309 7.911 49.963 1.00 40.93 ? 96 SER H C 1 ATOM 5270 O O . SER D 1 100 ? 195.546 8.880 49.968 1.00 52.20 ? 96 SER H O 1 ATOM 5271 C CB . SER D 1 100 ? 198.635 7.665 49.056 1.00 47.85 ? 96 SER H CB 1 ATOM 5272 O OG . SER D 1 100 ? 198.893 8.817 49.848 1.00 51.70 ? 96 SER H OG 1 ATOM 5273 N N . GLY D 1 101 ? 196.479 7.128 51.025 1.00 45.51 ? 97 GLY H N 1 ATOM 5274 C CA . GLY D 1 101 ? 195.793 7.429 52.271 1.00 48.09 ? 97 GLY H CA 1 ATOM 5275 C C . GLY D 1 101 ? 196.318 8.648 53.002 1.00 56.74 ? 97 GLY H C 1 ATOM 5276 O O . GLY D 1 101 ? 195.694 9.077 53.980 1.00 58.71 ? 97 GLY H O 1 ATOM 5277 N N . SER D 1 102 ? 197.448 9.202 52.562 1.00 50.58 ? 98 SER H N 1 ATOM 5278 C CA . SER D 1 102 ? 197.994 10.431 53.119 1.00 57.23 ? 98 SER H CA 1 ATOM 5279 C C . SER D 1 102 ? 197.615 11.651 52.294 1.00 57.62 ? 98 SER H C 1 ATOM 5280 O O . SER D 1 102 ? 198.174 12.731 52.508 1.00 56.57 ? 98 SER H O 1 ATOM 5281 C CB . SER D 1 102 ? 199.519 10.334 53.239 1.00 53.93 ? 98 SER H CB 1 ATOM 5282 O OG . SER D 1 102 ? 200.117 10.116 51.971 1.00 59.06 ? 98 SER H OG 1 ATOM 5283 N N . TYR D 1 103 ? 196.684 11.493 51.354 1.00 62.13 ? 99 TYR H N 1 ATOM 5284 C CA . TYR D 1 103 ? 196.226 12.578 50.489 1.00 64.78 ? 99 TYR H CA 1 ATOM 5285 C C . TYR D 1 103 ? 197.399 13.196 49.733 1.00 55.42 ? 99 TYR H C 1 ATOM 5286 O O . TYR D 1 103 ? 197.561 14.413 49.653 1.00 62.12 ? 99 TYR H O 1 ATOM 5287 C CB . TYR D 1 103 ? 195.432 13.609 51.294 1.00 71.99 ? 99 TYR H CB 1 ATOM 5288 C CG . TYR D 1 103 ? 194.230 12.943 51.925 1.00 86.49 ? 99 TYR H CG 1 ATOM 5289 C CD1 . TYR D 1 103 ? 193.500 11.987 51.214 1.00 83.07 ? 99 TYR H CD1 1 ATOM 5290 C CD2 . TYR D 1 103 ? 193.854 13.217 53.232 1.00 94.87 ? 99 TYR H CD2 1 ATOM 5291 C CE1 . TYR D 1 103 ? 192.415 11.347 51.772 1.00 87.03 ? 99 TYR H CE1 1 ATOM 5292 C CE2 . TYR D 1 103 ? 192.765 12.578 53.804 1.00 102.29 ? 99 TYR H CE2 1 ATOM 5293 C CZ . TYR D 1 103 ? 192.052 11.643 53.067 1.00 101.46 ? 99 TYR H CZ 1 ATOM 5294 O OH . TYR D 1 103 ? 190.974 11.004 53.631 1.00 106.08 ? 99 TYR H OH 1 ATOM 5295 N N . SER D 1 104 ? 198.228 12.316 49.181 1.00 50.70 ? 100 SER H N 1 ATOM 5296 C CA . SER D 1 104 ? 199.326 12.669 48.298 1.00 49.67 ? 100 SER H CA 1 ATOM 5297 C C . SER D 1 104 ? 199.327 11.682 47.139 1.00 55.63 ? 100 SER H C 1 ATOM 5298 O O . SER D 1 104 ? 198.725 10.608 47.218 1.00 54.51 ? 100 SER H O 1 ATOM 5299 C CB . SER D 1 104 ? 200.668 12.641 49.037 1.00 37.85 ? 100 SER H CB 1 ATOM 5300 O OG . SER D 1 104 ? 200.828 11.418 49.737 1.00 47.23 ? 100 SER H OG 1 ATOM 5301 N N . PHE D 1 105 A 200.004 12.053 46.051 1.00 50.50 ? 100 PHE H N 1 ATOM 5302 C CA . PHE D 1 105 A 200.059 11.224 44.845 1.00 36.97 ? 100 PHE H CA 1 ATOM 5303 C C . PHE D 1 105 A 201.380 10.459 44.846 1.00 39.83 ? 100 PHE H C 1 ATOM 5304 O O . PHE D 1 105 A 202.409 10.976 44.400 1.00 49.89 ? 100 PHE H O 1 ATOM 5305 C CB . PHE D 1 105 A 199.897 12.086 43.595 1.00 39.81 ? 100 PHE H CB 1 ATOM 5306 C CG . PHE D 1 105 A 198.564 12.788 43.515 1.00 49.59 ? 100 PHE H CG 1 ATOM 5307 C CD1 . PHE D 1 105 A 197.401 12.074 43.268 1.00 48.53 ? 100 PHE H CD1 1 ATOM 5308 C CD2 . PHE D 1 105 A 198.473 14.158 43.691 1.00 58.53 ? 100 PHE H CD2 1 ATOM 5309 C CE1 . PHE D 1 105 A 196.170 12.718 43.197 1.00 51.23 ? 100 PHE H CE1 1 ATOM 5310 C CE2 . PHE D 1 105 A 197.248 14.806 43.619 1.00 62.58 ? 100 PHE H CE2 1 ATOM 5311 C CZ . PHE D 1 105 A 196.096 14.084 43.371 1.00 59.88 ? 100 PHE H CZ 1 ATOM 5312 N N . ASP D 1 106 ? 201.351 9.219 45.350 1.00 41.55 ? 101 ASP H N 1 ATOM 5313 C CA . ASP D 1 106 ? 202.555 8.394 45.443 1.00 49.86 ? 101 ASP H CA 1 ATOM 5314 C C . ASP D 1 106 ? 202.905 7.673 44.143 1.00 45.00 ? 101 ASP H C 1 ATOM 5315 O O . ASP D 1 106 ? 204.057 7.257 43.976 1.00 54.12 ? 101 ASP H O 1 ATOM 5316 C CB . ASP D 1 106 ? 202.426 7.368 46.583 1.00 54.55 ? 101 ASP H CB 1 ATOM 5317 C CG . ASP D 1 106 ? 201.114 6.573 46.538 1.00 84.35 ? 101 ASP H CG 1 ATOM 5318 O OD1 . ASP D 1 106 ? 200.237 6.878 45.697 1.00 86.40 ? 101 ASP H OD1 1 ATOM 5319 O OD2 . ASP D 1 106 ? 200.958 5.643 47.367 1.00 90.07 -1 101 ASP H OD2 1 ATOM 5320 N N . TYR D 1 107 ? 201.962 7.531 43.213 1.00 37.20 ? 102 TYR H N 1 ATOM 5321 C CA . TYR D 1 107 ? 202.232 6.845 41.954 1.00 45.66 ? 102 TYR H CA 1 ATOM 5322 C C . TYR D 1 107 ? 201.587 7.591 40.798 1.00 43.35 ? 102 TYR H C 1 ATOM 5323 O O . TYR D 1 107 ? 200.405 7.945 40.864 1.00 44.64 ? 102 TYR H O 1 ATOM 5324 C CB . TYR D 1 107 ? 201.728 5.405 41.994 1.00 43.33 ? 102 TYR H CB 1 ATOM 5325 C CG . TYR D 1 107 ? 202.542 4.529 42.903 1.00 41.41 ? 102 TYR H CG 1 ATOM 5326 C CD1 . TYR D 1 107 ? 203.740 3.971 42.469 1.00 35.71 ? 102 TYR H CD1 1 ATOM 5327 C CD2 . TYR D 1 107 ? 202.115 4.257 44.203 1.00 36.65 ? 102 TYR H CD2 1 ATOM 5328 C CE1 . TYR D 1 107 ? 204.493 3.163 43.312 1.00 49.03 ? 102 TYR H CE1 1 ATOM 5329 C CE2 . TYR D 1 107 ? 202.857 3.448 45.051 1.00 43.83 ? 102 TYR H CE2 1 ATOM 5330 C CZ . TYR D 1 107 ? 204.049 2.912 44.603 1.00 50.61 ? 102 TYR H CZ 1 ATOM 5331 O OH . TYR D 1 107 ? 204.791 2.110 45.439 1.00 65.32 ? 102 TYR H OH 1 ATOM 5332 N N . TRP D 1 108 ? 202.369 7.823 39.749 1.00 35.44 ? 103 TRP H N 1 ATOM 5333 C CA . TRP D 1 108 ? 201.935 8.555 38.571 1.00 33.84 ? 103 TRP H CA 1 ATOM 5334 C C . TRP D 1 108 ? 202.114 7.702 37.327 1.00 33.58 ? 103 TRP H C 1 ATOM 5335 O O . TRP D 1 108 ? 202.966 6.813 37.279 1.00 42.25 ? 103 TRP H O 1 ATOM 5336 C CB . TRP D 1 108 ? 202.739 9.845 38.394 1.00 35.44 ? 103 TRP H CB 1 ATOM 5337 C CG . TRP D 1 108 ? 202.554 10.832 39.480 1.00 32.71 ? 103 TRP H CG 1 ATOM 5338 C CD1 . TRP D 1 108 ? 202.895 10.687 40.791 1.00 30.53 ? 103 TRP H CD1 1 ATOM 5339 C CD2 . TRP D 1 108 ? 202.000 12.144 39.348 1.00 34.30 ? 103 TRP H CD2 1 ATOM 5340 N NE1 . TRP D 1 108 ? 202.571 11.827 41.491 1.00 35.31 ? 103 TRP H NE1 1 ATOM 5341 C CE2 . TRP D 1 108 ? 202.027 12.739 40.622 1.00 32.25 ? 103 TRP H CE2 1 ATOM 5342 C CE3 . TRP D 1 108 ? 201.482 12.873 38.273 1.00 42.66 ? 103 TRP H CE3 1 ATOM 5343 C CZ2 . TRP D 1 108 ? 201.550 14.028 40.851 1.00 34.18 ? 103 TRP H CZ2 1 ATOM 5344 C CZ3 . TRP D 1 108 ? 201.009 14.156 38.505 1.00 39.79 ? 103 TRP H CZ3 1 ATOM 5345 C CH2 . TRP D 1 108 ? 201.041 14.715 39.782 1.00 28.90 ? 103 TRP H CH2 1 ATOM 5346 N N . GLY D 1 109 ? 201.313 7.992 36.305 1.00 32.46 ? 104 GLY H N 1 ATOM 5347 C CA . GLY D 1 109 ? 201.615 7.491 34.979 1.00 40.28 ? 104 GLY H CA 1 ATOM 5348 C C . GLY D 1 109 ? 202.854 8.166 34.419 1.00 37.56 ? 104 GLY H C 1 ATOM 5349 O O . GLY D 1 109 ? 203.374 9.131 34.978 1.00 38.44 ? 104 GLY H O 1 ATOM 5350 N N . GLN D 1 110 ? 203.355 7.637 33.301 1.00 41.40 ? 105 GLN H N 1 ATOM 5351 C CA . GLN D 1 110 ? 204.531 8.241 32.676 1.00 47.44 ? 105 GLN H CA 1 ATOM 5352 C C . GLN D 1 110 ? 204.178 9.472 31.855 1.00 50.80 ? 105 GLN H C 1 ATOM 5353 O O . GLN D 1 110 ? 205.084 10.195 31.433 1.00 54.73 ? 105 GLN H O 1 ATOM 5354 C CB . GLN D 1 110 ? 205.286 7.220 31.800 1.00 36.92 ? 105 GLN H CB 1 ATOM 5355 C CG . GLN D 1 110 ? 204.728 6.979 30.383 1.00 39.98 ? 105 GLN H CG 1 ATOM 5356 C CD . GLN D 1 110 ? 203.549 6.007 30.344 1.00 47.52 ? 105 GLN H CD 1 ATOM 5357 O OE1 . GLN D 1 110 ? 202.964 5.669 31.378 1.00 46.54 ? 105 GLN H OE1 1 ATOM 5358 N NE2 . GLN D 1 110 ? 203.196 5.555 29.142 1.00 42.91 ? 105 GLN H NE2 1 ATOM 5359 N N . GLY D 1 111 ? 202.898 9.737 31.649 1.00 48.47 ? 106 GLY H N 1 ATOM 5360 C CA . GLY D 1 111 ? 202.450 10.920 30.945 1.00 41.64 ? 106 GLY H CA 1 ATOM 5361 C C . GLY D 1 111 ? 202.112 10.629 29.497 1.00 45.95 ? 106 GLY H C 1 ATOM 5362 O O . GLY D 1 111 ? 202.620 9.682 28.884 1.00 49.94 ? 106 GLY H O 1 ATOM 5363 N N . THR D 1 112 ? 201.230 11.451 28.938 1.00 42.92 ? 107 THR H N 1 ATOM 5364 C CA . THR D 1 112 ? 200.782 11.301 27.558 1.00 39.97 ? 107 THR H CA 1 ATOM 5365 C C . THR D 1 112 ? 200.753 12.680 26.921 1.00 44.58 ? 107 THR H C 1 ATOM 5366 O O . THR D 1 112 ? 199.880 13.500 27.238 1.00 47.20 ? 107 THR H O 1 ATOM 5367 C CB . THR D 1 112 ? 199.407 10.632 27.483 1.00 46.79 ? 107 THR H CB 1 ATOM 5368 O OG1 . THR D 1 112 ? 199.489 9.304 28.011 1.00 48.88 ? 107 THR H OG1 1 ATOM 5369 C CG2 . THR D 1 112 ? 198.929 10.559 26.040 1.00 46.33 ? 107 THR H CG2 1 ATOM 5370 N N . LEU D 1 113 ? 201.716 12.936 26.042 1.00 40.07 ? 108 LEU H N 1 ATOM 5371 C CA . LEU D 1 113 ? 201.745 14.193 25.311 1.00 38.92 ? 108 LEU H CA 1 ATOM 5372 C C . LEU D 1 113 ? 200.582 14.247 24.334 1.00 43.76 ? 108 LEU H C 1 ATOM 5373 O O . LEU D 1 113 ? 200.356 13.312 23.559 1.00 45.87 ? 108 LEU H O 1 ATOM 5374 C CB . LEU D 1 113 ? 203.064 14.356 24.563 1.00 45.91 ? 108 LEU H CB 1 ATOM 5375 C CG . LEU D 1 113 ? 203.182 15.692 23.833 1.00 50.13 ? 108 LEU H CG 1 ATOM 5376 C CD1 . LEU D 1 113 ? 203.092 16.837 24.838 1.00 42.31 ? 108 LEU H CD1 1 ATOM 5377 C CD2 . LEU D 1 113 ? 204.476 15.775 23.008 1.00 28.26 ? 108 LEU H CD2 1 ATOM 5378 N N . VAL D 1 114 ? 199.833 15.336 24.386 1.00 35.50 ? 109 VAL H N 1 ATOM 5379 C CA . VAL D 1 114 ? 198.751 15.589 23.453 1.00 42.99 ? 109 VAL H CA 1 ATOM 5380 C C . VAL D 1 114 ? 199.045 16.936 22.816 1.00 38.75 ? 109 VAL H C 1 ATOM 5381 O O . VAL D 1 114 ? 199.071 17.964 23.505 1.00 48.68 ? 109 VAL H O 1 ATOM 5382 C CB . VAL D 1 114 ? 197.379 15.579 24.141 1.00 49.62 ? 109 VAL H CB 1 ATOM 5383 C CG1 . VAL D 1 114 ? 196.299 15.943 23.145 1.00 47.86 ? 109 VAL H CG1 1 ATOM 5384 C CG2 . VAL D 1 114 ? 197.102 14.211 24.749 1.00 46.96 ? 109 VAL H CG2 1 ATOM 5385 N N . THR D 1 115 ? 199.295 16.934 21.514 1.00 43.99 ? 110 THR H N 1 ATOM 5386 C CA . THR D 1 115 ? 199.606 18.150 20.779 1.00 53.21 ? 110 THR H CA 1 ATOM 5387 C C . THR D 1 115 ? 198.441 18.455 19.853 1.00 55.64 ? 110 THR H C 1 ATOM 5388 O O . THR D 1 115 ? 198.102 17.641 18.987 1.00 67.93 ? 110 THR H O 1 ATOM 5389 C CB . THR D 1 115 ? 200.910 18.007 19.996 1.00 56.23 ? 110 THR H CB 1 ATOM 5390 O OG1 . THR D 1 115 ? 201.962 17.638 20.897 1.00 59.70 ? 110 THR H OG1 1 ATOM 5391 C CG2 . THR D 1 115 ? 201.274 19.328 19.326 1.00 52.72 ? 110 THR H CG2 1 ATOM 5392 N N . VAL D 1 116 ? 197.819 19.612 20.056 1.00 52.92 ? 111 VAL H N 1 ATOM 5393 C CA . VAL D 1 116 ? 196.679 20.052 19.261 1.00 52.78 ? 111 VAL H CA 1 ATOM 5394 C C . VAL D 1 116 ? 197.188 21.053 18.237 1.00 53.15 ? 111 VAL H C 1 ATOM 5395 O O . VAL D 1 116 ? 197.739 22.099 18.603 1.00 51.28 ? 111 VAL H O 1 ATOM 5396 C CB . VAL D 1 116 ? 195.584 20.673 20.143 1.00 49.62 ? 111 VAL H CB 1 ATOM 5397 C CG1 . VAL D 1 116 ? 194.396 21.087 19.298 1.00 49.85 ? 111 VAL H CG1 1 ATOM 5398 C CG2 . VAL D 1 116 ? 195.168 19.704 21.240 1.00 47.55 ? 111 VAL H CG2 1 ATOM 5399 N N . SER D 1 117 ? 197.003 20.745 16.955 1.00 46.24 ? 112 SER H N 1 ATOM 5400 C CA . SER D 1 117 ? 197.578 21.582 15.915 1.00 41.39 ? 112 SER H CA 1 ATOM 5401 C C . SER D 1 117 ? 196.869 21.322 14.595 1.00 47.88 ? 112 SER H C 1 ATOM 5402 O O . SER D 1 117 ? 196.355 20.227 14.354 1.00 58.05 ? 112 SER H O 1 ATOM 5403 C CB . SER D 1 117 ? 199.086 21.323 15.785 1.00 38.07 ? 112 SER H CB 1 ATOM 5404 O OG . SER D 1 117 ? 199.618 21.901 14.605 1.00 50.18 ? 112 SER H OG 1 ATOM 5405 N N . SER D 1 118 ? 196.848 22.345 13.742 1.00 53.43 ? 113 SER H N 1 ATOM 5406 C CA . SER D 1 118 ? 196.340 22.204 12.384 1.00 60.81 ? 113 SER H CA 1 ATOM 5407 C C . SER D 1 118 ? 197.407 21.746 11.398 1.00 53.64 ? 113 SER H C 1 ATOM 5408 O O . SER D 1 118 ? 197.071 21.409 10.255 1.00 52.53 ? 113 SER H O 1 ATOM 5409 C CB . SER D 1 118 ? 195.739 23.528 11.903 1.00 71.61 ? 113 SER H CB 1 ATOM 5410 O OG . SER D 1 118 ? 194.638 23.906 12.710 1.00 82.61 ? 113 SER H OG 1 ATOM 5411 N N . ALA D 1 119 ? 198.671 21.721 11.815 1.00 46.53 ? 114 ALA H N 1 ATOM 5412 C CA . ALA D 1 119 ? 199.768 21.374 10.926 1.00 44.74 ? 114 ALA H CA 1 ATOM 5413 C C . ALA D 1 119 ? 199.726 19.896 10.550 1.00 54.12 ? 114 ALA H C 1 ATOM 5414 O O . ALA D 1 119 ? 199.232 19.047 11.299 1.00 56.57 ? 114 ALA H O 1 ATOM 5415 C CB . ALA D 1 119 ? 201.110 21.700 11.585 1.00 37.67 ? 114 ALA H CB 1 ATOM 5416 N N . SER D 1 120 ? 200.257 19.598 9.372 1.00 51.79 ? 115 SER H N 1 ATOM 5417 C CA . SER D 1 120 ? 200.433 18.235 8.905 1.00 59.67 ? 115 SER H CA 1 ATOM 5418 C C . SER D 1 120 ? 201.908 17.867 8.979 1.00 58.49 ? 115 SER H C 1 ATOM 5419 O O . SER D 1 120 ? 202.778 18.731 9.111 1.00 54.16 ? 115 SER H O 1 ATOM 5420 C CB . SER D 1 120 ? 199.904 18.080 7.478 1.00 63.70 ? 115 SER H CB 1 ATOM 5421 O OG . SER D 1 120 ? 198.523 18.400 7.432 1.00 78.83 ? 115 SER H OG 1 ATOM 5422 N N . THR D 1 121 ? 202.183 16.567 8.914 1.00 53.50 ? 116 THR H N 1 ATOM 5423 C CA . THR D 1 121 ? 203.552 16.097 9.073 1.00 52.84 ? 116 THR H CA 1 ATOM 5424 C C . THR D 1 121 ? 204.428 16.648 7.951 1.00 48.69 ? 116 THR H C 1 ATOM 5425 O O . THR D 1 121 ? 204.048 16.616 6.778 1.00 47.34 ? 116 THR H O 1 ATOM 5426 C CB . THR D 1 121 ? 203.577 14.568 9.094 1.00 47.22 ? 116 THR H CB 1 ATOM 5427 O OG1 . THR D 1 121 ? 202.762 14.105 10.175 1.00 53.02 ? 116 THR H OG1 1 ATOM 5428 C CG2 . THR D 1 121 ? 204.988 14.049 9.303 1.00 43.78 ? 116 THR H CG2 1 ATOM 5429 N N . LYS D 1 122 ? 205.588 17.195 8.315 1.00 43.95 ? 117 LYS H N 1 ATOM 5430 C CA . LYS D 1 122 ? 206.475 17.781 7.320 1.00 44.77 ? 117 LYS H CA 1 ATOM 5431 C C . LYS D 1 122 ? 207.910 17.734 7.818 1.00 45.17 ? 117 LYS H C 1 ATOM 5432 O O . LYS D 1 122 ? 208.198 18.156 8.940 1.00 39.84 ? 117 LYS H O 1 ATOM 5433 C CB . LYS D 1 122 ? 206.082 19.225 6.999 1.00 39.15 ? 117 LYS H CB 1 ATOM 5434 C CG . LYS D 1 122 ? 207.062 19.903 6.061 1.00 57.39 ? 117 LYS H CG 1 ATOM 5435 C CD . LYS D 1 122 ? 206.753 21.375 5.859 1.00 60.96 ? 117 LYS H CD 1 ATOM 5436 C CE . LYS D 1 122 ? 207.803 22.016 4.953 1.00 68.01 ? 117 LYS H CE 1 ATOM 5437 N NZ . LYS D 1 122 ? 209.202 21.772 5.450 1.00 66.64 1 117 LYS H NZ 1 ATOM 5438 N N . GLY D 1 123 ? 208.805 17.225 6.979 1.00 53.20 ? 118 GLY H N 1 ATOM 5439 C CA . GLY D 1 123 ? 210.200 17.127 7.328 1.00 43.15 ? 118 GLY H CA 1 ATOM 5440 C C . GLY D 1 123 ? 210.875 18.480 7.335 1.00 40.40 ? 118 GLY H C 1 ATOM 5441 O O . GLY D 1 123 ? 210.391 19.452 6.745 1.00 49.83 ? 118 GLY H O 1 ATOM 5442 N N . PRO D 1 124 ? 212.020 18.566 7.999 1.00 40.23 ? 119 PRO H N 1 ATOM 5443 C CA . PRO D 1 124 ? 212.715 19.846 8.117 1.00 47.22 ? 119 PRO H CA 1 ATOM 5444 C C . PRO D 1 124 ? 213.587 20.159 6.916 1.00 51.33 ? 119 PRO H C 1 ATOM 5445 O O . PRO D 1 124 ? 214.071 19.279 6.201 1.00 47.14 ? 119 PRO H O 1 ATOM 5446 C CB . PRO D 1 124 ? 213.588 19.639 9.360 1.00 43.54 ? 119 PRO H CB 1 ATOM 5447 C CG . PRO D 1 124 ? 213.958 18.200 9.273 1.00 34.61 ? 119 PRO H CG 1 ATOM 5448 C CD . PRO D 1 124 ? 212.719 17.499 8.737 1.00 44.40 ? 119 PRO H CD 1 ATOM 5449 N N . SER D 1 125 ? 213.773 21.453 6.704 1.00 50.80 ? 120 SER H N 1 ATOM 5450 C CA . SER D 1 125 ? 214.847 21.964 5.873 1.00 48.92 ? 120 SER H CA 1 ATOM 5451 C C . SER D 1 125 ? 215.993 22.308 6.808 1.00 47.20 ? 120 SER H C 1 ATOM 5452 O O . SER D 1 125 ? 215.774 22.927 7.856 1.00 50.40 ? 120 SER H O 1 ATOM 5453 C CB . SER D 1 125 ? 214.396 23.194 5.085 1.00 55.74 ? 120 SER H CB 1 ATOM 5454 O OG . SER D 1 125 ? 213.121 22.978 4.501 1.00 71.41 ? 120 SER H OG 1 ATOM 5455 N N . VAL D 1 126 ? 217.200 21.872 6.466 1.00 41.98 ? 121 VAL H N 1 ATOM 5456 C CA . VAL D 1 126 ? 218.364 22.129 7.303 1.00 50.40 ? 121 VAL H CA 1 ATOM 5457 C C . VAL D 1 126 ? 219.365 22.938 6.484 1.00 53.26 ? 121 VAL H C 1 ATOM 5458 O O . VAL D 1 126 ? 219.788 22.516 5.400 1.00 44.40 ? 121 VAL H O 1 ATOM 5459 C CB . VAL D 1 126 ? 218.958 20.831 7.888 1.00 45.39 ? 121 VAL H CB 1 ATOM 5460 C CG1 . VAL D 1 126 ? 218.347 19.625 7.244 1.00 50.26 ? 121 VAL H CG1 1 ATOM 5461 C CG2 . VAL D 1 126 ? 220.471 20.801 7.827 1.00 42.81 ? 121 VAL H CG2 1 ATOM 5462 N N . PHE D 1 127 ? 219.681 24.142 6.981 1.00 51.68 ? 122 PHE H N 1 ATOM 5463 C CA . PHE D 1 127 ? 220.533 25.172 6.418 1.00 49.28 ? 122 PHE H CA 1 ATOM 5464 C C . PHE D 1 127 ? 221.796 25.314 7.253 1.00 51.13 ? 122 PHE H C 1 ATOM 5465 O O . PHE D 1 127 ? 221.738 25.193 8.480 1.00 52.78 ? 122 PHE H O 1 ATOM 5466 C CB . PHE D 1 127 ? 219.810 26.524 6.373 1.00 35.56 ? 122 PHE H CB 1 ATOM 5467 C CG . PHE D 1 127 ? 218.517 26.489 5.621 1.00 46.28 ? 122 PHE H CG 1 ATOM 5468 C CD1 . PHE D 1 127 ? 218.484 26.093 4.292 1.00 50.14 ? 122 PHE H CD1 1 ATOM 5469 C CD2 . PHE D 1 127 ? 217.328 26.850 6.239 1.00 47.44 ? 122 PHE H CD2 1 ATOM 5470 C CE1 . PHE D 1 127 ? 217.282 26.053 3.586 1.00 48.22 ? 122 PHE H CE1 1 ATOM 5471 C CE2 . PHE D 1 127 ? 216.124 26.814 5.540 1.00 48.07 ? 122 PHE H CE2 1 ATOM 5472 C CZ . PHE D 1 127 ? 216.103 26.416 4.211 1.00 44.75 ? 122 PHE H CZ 1 ATOM 5473 N N . PRO D 1 128 ? 222.942 25.564 6.635 1.00 45.72 ? 123 PRO H N 1 ATOM 5474 C CA . PRO D 1 128 ? 224.169 25.719 7.415 1.00 50.15 ? 123 PRO H CA 1 ATOM 5475 C C . PRO D 1 128 ? 224.266 27.108 8.023 1.00 49.88 ? 123 PRO H C 1 ATOM 5476 O O . PRO D 1 128 ? 223.799 28.099 7.457 1.00 57.38 ? 123 PRO H O 1 ATOM 5477 C CB . PRO D 1 128 ? 225.277 25.484 6.381 1.00 49.51 ? 123 PRO H CB 1 ATOM 5478 C CG . PRO D 1 128 ? 224.676 25.965 5.093 1.00 46.07 ? 123 PRO H CG 1 ATOM 5479 C CD . PRO D 1 128 ? 223.182 25.699 5.186 1.00 48.75 ? 123 PRO H CD 1 ATOM 5480 N N . LEU D 1 129 ? 224.845 27.153 9.220 1.00 52.51 ? 124 LEU H N 1 ATOM 5481 C CA . LEU D 1 129 ? 225.267 28.390 9.875 1.00 51.77 ? 124 LEU H CA 1 ATOM 5482 C C . LEU D 1 129 ? 226.791 28.395 9.759 1.00 52.69 ? 124 LEU H C 1 ATOM 5483 O O . LEU D 1 129 ? 227.496 27.797 10.574 1.00 49.80 ? 124 LEU H O 1 ATOM 5484 C CB . LEU D 1 129 ? 224.785 28.453 11.323 1.00 47.60 ? 124 LEU H CB 1 ATOM 5485 C CG . LEU D 1 129 ? 223.261 28.432 11.497 1.00 52.37 ? 124 LEU H CG 1 ATOM 5486 C CD1 . LEU D 1 129 ? 222.845 28.391 12.970 1.00 38.19 ? 124 LEU H CD1 1 ATOM 5487 C CD2 . LEU D 1 129 ? 222.629 29.626 10.791 1.00 46.36 ? 124 LEU H CD2 1 ATOM 5488 N N . ALA D 1 130 ? 227.288 29.050 8.715 1.00 53.67 ? 125 ALA H N 1 ATOM 5489 C CA . ALA D 1 130 ? 228.676 28.879 8.321 1.00 48.57 ? 125 ALA H CA 1 ATOM 5490 C C . ALA D 1 130 ? 229.604 29.635 9.263 1.00 52.20 ? 125 ALA H C 1 ATOM 5491 O O . ALA D 1 130 ? 229.280 30.748 9.696 1.00 50.25 ? 125 ALA H O 1 ATOM 5492 C CB . ALA D 1 130 ? 228.890 29.364 6.891 1.00 52.24 ? 125 ALA H CB 1 ATOM 5493 N N . PRO D 1 131 ? 230.758 29.059 9.601 1.00 47.39 ? 126 PRO H N 1 ATOM 5494 C CA . PRO D 1 131 ? 231.793 29.837 10.283 1.00 50.91 ? 126 PRO H CA 1 ATOM 5495 C C . PRO D 1 131 ? 232.377 30.872 9.338 1.00 74.64 ? 126 PRO H C 1 ATOM 5496 O O . PRO D 1 131 ? 232.524 30.630 8.137 1.00 75.15 ? 126 PRO H O 1 ATOM 5497 C CB . PRO D 1 131 ? 232.834 28.781 10.670 1.00 48.23 ? 126 PRO H CB 1 ATOM 5498 C CG . PRO D 1 131 ? 232.693 27.738 9.618 1.00 33.82 ? 126 PRO H CG 1 ATOM 5499 C CD . PRO D 1 131 ? 231.207 27.683 9.319 1.00 44.73 ? 126 PRO H CD 1 ATOM 5500 N N . SER D 1 132 ? 232.704 32.033 9.887 1.00 92.48 ? 127 SER H N 1 ATOM 5501 C CA . SER D 1 132 ? 233.284 33.109 9.095 1.00 101.45 ? 127 SER H CA 1 ATOM 5502 C C . SER D 1 132 ? 234.206 33.911 10.002 1.00 97.75 ? 127 SER H C 1 ATOM 5503 O O . SER D 1 132 ? 234.698 33.401 11.014 1.00 84.45 ? 127 SER H O 1 ATOM 5504 C CB . SER D 1 132 ? 232.175 33.972 8.469 1.00 100.55 ? 127 SER H CB 1 ATOM 5505 O OG . SER D 1 132 ? 231.309 34.477 9.473 1.00 94.75 ? 127 SER H OG 1 ATOM 5506 N N . SER D 1 133 ? 234.436 35.173 9.639 1.00 108.44 ? 128 SER H N 1 ATOM 5507 C CA . SER D 1 133 ? 235.138 36.094 10.522 1.00 111.78 ? 128 SER H CA 1 ATOM 5508 C C . SER D 1 133 ? 234.217 36.693 11.583 1.00 114.90 ? 128 SER H C 1 ATOM 5509 O O . SER D 1 133 ? 234.707 37.127 12.632 1.00 110.05 ? 128 SER H O 1 ATOM 5510 C CB . SER D 1 133 ? 235.794 37.200 9.695 1.00 105.55 ? 128 SER H CB 1 ATOM 5511 O OG . SER D 1 133 ? 236.540 36.641 8.624 1.00 105.33 ? 128 SER H OG 1 ATOM 5512 N N . LYS D 1 134 ? 232.901 36.713 11.338 1.00 114.01 ? 129 LYS H N 1 ATOM 5513 C CA . LYS D 1 134 ? 231.900 37.163 12.303 1.00 102.66 ? 129 LYS H CA 1 ATOM 5514 C C . LYS D 1 134 ? 231.414 36.043 13.220 1.00 107.70 ? 129 LYS H C 1 ATOM 5515 O O . LYS D 1 134 ? 230.504 36.269 14.029 1.00 86.89 ? 129 LYS H O 1 ATOM 5516 C CB . LYS D 1 134 ? 230.700 37.788 11.573 1.00 80.11 ? 129 LYS H CB 1 ATOM 5517 C CG . LYS D 1 134 ? 230.612 39.314 11.665 1.00 58.95 ? 129 LYS H CG 1 ATOM 5518 N N . SER D 1 135 ? 231.992 34.841 13.098 1.00 126.78 ? 130 SER H N 1 ATOM 5519 C CA . SER D 1 135 ? 231.690 33.712 13.972 1.00 130.57 ? 130 SER H CA 1 ATOM 5520 C C . SER D 1 135 ? 232.950 33.138 14.619 1.00 135.25 ? 130 SER H C 1 ATOM 5521 O O . SER D 1 135 ? 232.950 31.974 15.032 1.00 133.29 ? 130 SER H O 1 ATOM 5522 C CB . SER D 1 135 ? 230.938 32.620 13.205 1.00 120.88 ? 130 SER H CB 1 ATOM 5523 O OG . SER D 1 135 ? 231.490 32.447 11.913 1.00 117.73 ? 130 SER H OG 1 ATOM 5524 N N . THR D 1 136 ? 234.022 33.926 14.705 1.00 138.30 ? 131 THR H N 1 ATOM 5525 C CA . THR D 1 136 ? 235.211 33.578 15.472 1.00 135.29 ? 131 THR H CA 1 ATOM 5526 C C . THR D 1 136 ? 235.412 34.597 16.588 1.00 134.64 ? 131 THR H C 1 ATOM 5527 O O . THR D 1 136 ? 234.873 35.707 16.549 1.00 134.41 ? 131 THR H O 1 ATOM 5528 C CB . THR D 1 136 ? 236.481 33.520 14.594 1.00 130.68 ? 131 THR H CB 1 ATOM 5529 O OG1 . THR D 1 136 ? 236.735 34.803 14.006 1.00 129.70 ? 131 THR H OG1 1 ATOM 5530 C CG2 . THR D 1 136 ? 236.346 32.473 13.495 1.00 124.76 ? 131 THR H CG2 1 ATOM 5531 N N . SER D 1 137 ? 236.184 34.198 17.601 1.00 134.15 ? 132 SER H N 1 ATOM 5532 C CA . SER D 1 137 ? 236.584 35.113 18.665 1.00 130.54 ? 132 SER H CA 1 ATOM 5533 C C . SER D 1 137 ? 238.106 35.123 18.796 1.00 130.49 ? 132 SER H C 1 ATOM 5534 O O . SER D 1 137 ? 238.789 35.867 18.083 1.00 124.24 ? 132 SER H O 1 ATOM 5535 C CB . SER D 1 137 ? 235.913 34.737 19.993 1.00 121.92 ? 132 SER H CB 1 ATOM 5536 O OG . SER D 1 137 ? 236.219 33.412 20.384 1.00 120.15 ? 132 SER H OG 1 ATOM 5537 N N . GLY D 1 138 ? 238.649 34.301 19.691 0.86 128.48 ? 133 GLY H N 1 ATOM 5538 C CA . GLY D 1 138 ? 240.089 34.201 19.836 0.86 122.76 ? 133 GLY H CA 1 ATOM 5539 C C . GLY D 1 138 ? 240.581 32.771 19.757 0.86 112.43 ? 133 GLY H C 1 ATOM 5540 O O . GLY D 1 138 ? 240.863 32.145 20.784 0.86 114.59 ? 133 GLY H O 1 ATOM 5541 N N . GLY D 1 139 ? 240.689 32.241 18.541 1.00 97.61 ? 134 GLY H N 1 ATOM 5542 C CA . GLY D 1 139 ? 241.033 30.852 18.344 1.00 96.30 ? 134 GLY H CA 1 ATOM 5543 C C . GLY D 1 139 ? 239.858 29.893 18.321 1.00 93.99 ? 134 GLY H C 1 ATOM 5544 O O . GLY D 1 139 ? 240.047 28.720 17.974 1.00 91.64 ? 134 GLY H O 1 ATOM 5545 N N . THR D 1 140 ? 238.655 30.345 18.676 1.00 91.17 ? 135 THR H N 1 ATOM 5546 C CA . THR D 1 140 ? 237.462 29.506 18.666 1.00 95.71 ? 135 THR H CA 1 ATOM 5547 C C . THR D 1 140 ? 236.466 30.044 17.649 1.00 81.14 ? 135 THR H C 1 ATOM 5548 O O . THR D 1 140 ? 236.183 31.245 17.623 1.00 80.43 ? 135 THR H O 1 ATOM 5549 C CB . THR D 1 140 ? 236.803 29.439 20.050 1.00 105.74 ? 135 THR H CB 1 ATOM 5550 O OG1 . THR D 1 140 ? 236.398 30.753 20.456 1.00 114.50 ? 135 THR H OG1 1 ATOM 5551 C CG2 . THR D 1 140 ? 237.762 28.858 21.085 1.00 107.38 ? 135 THR H CG2 1 ATOM 5552 N N . ALA D 1 141 ? 235.934 29.154 16.820 1.00 68.07 ? 136 ALA H N 1 ATOM 5553 C CA . ALA D 1 141 ? 234.913 29.496 15.843 1.00 56.31 ? 136 ALA H CA 1 ATOM 5554 C C . ALA D 1 141 ? 233.606 28.795 16.194 1.00 52.45 ? 136 ALA H C 1 ATOM 5555 O O . ALA D 1 141 ? 233.603 27.716 16.794 1.00 48.43 ? 136 ALA H O 1 ATOM 5556 C CB . ALA D 1 141 ? 235.351 29.107 14.422 1.00 37.11 ? 136 ALA H CB 1 ATOM 5557 N N . ALA D 1 142 ? 232.492 29.414 15.817 1.00 49.01 ? 137 ALA H N 1 ATOM 5558 C CA . ALA D 1 142 ? 231.170 28.836 16.006 1.00 45.25 ? 137 ALA H CA 1 ATOM 5559 C C . ALA D 1 142 ? 230.560 28.501 14.653 1.00 39.46 ? 137 ALA H C 1 ATOM 5560 O O . ALA D 1 142 ? 230.674 29.275 13.699 1.00 46.04 ? 137 ALA H O 1 ATOM 5561 C CB . ALA D 1 142 ? 230.250 29.794 16.768 1.00 39.13 ? 137 ALA H CB 1 ATOM 5562 N N . LEU D 1 143 ? 229.919 27.341 14.571 1.00 40.19 ? 138 LEU H N 1 ATOM 5563 C CA . LEU D 1 143 ? 229.200 26.960 13.368 1.00 34.02 ? 138 LEU H CA 1 ATOM 5564 C C . LEU D 1 143 ? 227.987 26.148 13.790 1.00 38.76 ? 138 LEU H C 1 ATOM 5565 O O . LEU D 1 143 ? 227.874 25.736 14.946 1.00 38.29 ? 138 LEU H O 1 ATOM 5566 C CB . LEU D 1 143 ? 230.109 26.190 12.397 1.00 35.79 ? 138 LEU H CB 1 ATOM 5567 C CG . LEU D 1 143 ? 230.812 24.921 12.897 1.00 53.26 ? 138 LEU H CG 1 ATOM 5568 C CD1 . LEU D 1 143 ? 230.022 23.703 12.463 1.00 54.38 ? 138 LEU H CD1 1 ATOM 5569 C CD2 . LEU D 1 143 ? 232.257 24.818 12.407 1.00 33.53 ? 138 LEU H CD2 1 ATOM 5570 N N . GLY D 1 144 ? 227.067 25.935 12.859 1.00 43.78 ? 139 GLY H N 1 ATOM 5571 C CA . GLY D 1 144 ? 225.860 25.234 13.243 1.00 41.67 ? 139 GLY H CA 1 ATOM 5572 C C . GLY D 1 144 ? 224.994 24.873 12.059 1.00 41.34 ? 139 GLY H C 1 ATOM 5573 O O . GLY D 1 144 ? 225.393 25.014 10.904 1.00 42.55 ? 139 GLY H O 1 ATOM 5574 N N . CYS D 1 145 ? 223.802 24.367 12.377 1.00 38.46 ? 140 CYS H N 1 ATOM 5575 C CA A CYS D 1 145 ? 222.783 24.056 11.386 0.39 39.18 ? 140 CYS H CA 1 ATOM 5576 C CA B CYS D 1 145 ? 222.786 24.062 11.381 0.61 38.53 ? 140 CYS H CA 1 ATOM 5577 C C . CYS D 1 145 ? 221.435 24.546 11.886 1.00 51.00 ? 140 CYS H C 1 ATOM 5578 O O . CYS D 1 145 ? 221.107 24.387 13.067 1.00 51.72 ? 140 CYS H O 1 ATOM 5579 C CB A CYS D 1 145 ? 222.711 22.555 11.090 0.39 38.14 ? 140 CYS H CB 1 ATOM 5580 C CB B CYS D 1 145 ? 222.727 22.557 11.043 0.61 35.79 ? 140 CYS H CB 1 ATOM 5581 S SG A CYS D 1 145 ? 223.981 21.991 9.959 0.39 33.08 ? 140 CYS H SG 1 ATOM 5582 S SG B CYS D 1 145 ? 222.868 21.404 12.441 0.61 58.42 ? 140 CYS H SG 1 ATOM 5583 N N . LEU D 1 146 ? 220.668 25.149 10.981 1.00 40.33 ? 141 LEU H N 1 ATOM 5584 C CA . LEU D 1 146 ? 219.322 25.625 11.265 1.00 44.76 ? 141 LEU H CA 1 ATOM 5585 C C . LEU D 1 146 ? 218.340 24.589 10.726 1.00 50.67 ? 141 LEU H C 1 ATOM 5586 O O . LEU D 1 146 ? 218.284 24.348 9.517 1.00 44.55 ? 141 LEU H O 1 ATOM 5587 C CB . LEU D 1 146 ? 219.096 27.000 10.642 1.00 37.80 ? 141 LEU H CB 1 ATOM 5588 C CG . LEU D 1 146 ? 217.729 27.665 10.748 1.00 43.91 ? 141 LEU H CG 1 ATOM 5589 C CD1 . LEU D 1 146 ? 217.384 27.996 12.185 1.00 37.79 ? 141 LEU H CD1 1 ATOM 5590 C CD2 . LEU D 1 146 ? 217.747 28.923 9.904 1.00 49.51 ? 141 LEU H CD2 1 ATOM 5591 N N . VAL D 1 147 ? 217.588 23.969 11.628 1.00 47.88 ? 142 VAL H N 1 ATOM 5592 C CA . VAL D 1 147 ? 216.653 22.900 11.302 1.00 44.09 ? 142 VAL H CA 1 ATOM 5593 C C . VAL D 1 147 ? 215.264 23.528 11.322 1.00 45.37 ? 142 VAL H C 1 ATOM 5594 O O . VAL D 1 147 ? 214.696 23.769 12.387 1.00 55.72 ? 142 VAL H O 1 ATOM 5595 C CB . VAL D 1 147 ? 216.781 21.740 12.290 1.00 40.43 ? 142 VAL H CB 1 ATOM 5596 C CG1 . VAL D 1 147 ? 215.875 20.587 11.905 1.00 41.05 ? 142 VAL H CG1 1 ATOM 5597 C CG2 . VAL D 1 147 ? 218.251 21.297 12.378 1.00 34.85 ? 142 VAL H CG2 1 ATOM 5598 N N . LYS D 1 148 ? 214.715 23.805 10.143 1.00 43.80 ? 143 LYS H N 1 ATOM 5599 C CA . LYS D 1 148 ? 213.606 24.738 9.998 1.00 47.39 ? 143 LYS H CA 1 ATOM 5600 C C . LYS D 1 148 ? 212.375 24.076 9.383 1.00 51.32 ? 143 LYS H C 1 ATOM 5601 O O . LYS D 1 148 ? 212.486 23.273 8.444 1.00 42.05 ? 143 LYS H O 1 ATOM 5602 C CB . LYS D 1 148 ? 214.036 25.942 9.139 1.00 45.00 ? 143 LYS H CB 1 ATOM 5603 C CG . LYS D 1 148 ? 213.298 27.216 9.472 1.00 57.56 ? 143 LYS H CG 1 ATOM 5604 C CD . LYS D 1 148 ? 213.739 28.359 8.589 1.00 59.98 ? 143 LYS H CD 1 ATOM 5605 C CE . LYS D 1 148 ? 212.980 29.627 8.940 1.00 62.16 ? 143 LYS H CE 1 ATOM 5606 N NZ . LYS D 1 148 ? 211.517 29.484 8.706 1.00 53.53 1 143 LYS H NZ 1 ATOM 5607 N N . ASP D 1 149 ? 211.205 24.423 9.934 1.00 45.98 ? 144 ASP H N 1 ATOM 5608 C CA . ASP D 1 149 ? 209.887 24.142 9.352 1.00 46.37 ? 144 ASP H CA 1 ATOM 5609 C C . ASP D 1 149 ? 209.588 22.641 9.319 1.00 43.12 ? 144 ASP H C 1 ATOM 5610 O O . ASP D 1 149 ? 209.506 22.018 8.264 1.00 62.54 ? 144 ASP H O 1 ATOM 5611 C CB . ASP D 1 149 ? 209.764 24.737 7.944 1.00 44.06 ? 144 ASP H CB 1 ATOM 5612 C CG . ASP D 1 149 ? 209.735 26.243 7.958 1.00 53.52 ? 144 ASP H CG 1 ATOM 5613 O OD1 . ASP D 1 149 ? 209.382 26.804 9.021 1.00 61.51 ? 144 ASP H OD1 1 ATOM 5614 O OD2 . ASP D 1 149 ? 210.058 26.858 6.910 1.00 57.38 -1 144 ASP H OD2 1 ATOM 5615 N N . TYR D 1 150 ? 209.389 22.081 10.505 1.00 44.43 ? 145 TYR H N 1 ATOM 5616 C CA . TYR D 1 150 ? 209.048 20.673 10.606 1.00 47.18 ? 145 TYR H CA 1 ATOM 5617 C C . TYR D 1 150 ? 207.926 20.479 11.614 1.00 41.59 ? 145 TYR H C 1 ATOM 5618 O O . TYR D 1 150 ? 207.719 21.293 12.518 1.00 42.80 ? 145 TYR H O 1 ATOM 5619 C CB . TYR D 1 150 ? 210.261 19.812 11.000 1.00 42.11 ? 145 TYR H CB 1 ATOM 5620 C CG . TYR D 1 150 ? 210.825 20.114 12.366 1.00 35.72 ? 145 TYR H CG 1 ATOM 5621 C CD1 . TYR D 1 150 ? 211.818 21.074 12.534 1.00 34.36 ? 145 TYR H CD1 1 ATOM 5622 C CD2 . TYR D 1 150 ? 210.375 19.433 13.487 1.00 39.73 ? 145 TYR H CD2 1 ATOM 5623 C CE1 . TYR D 1 150 ? 212.339 21.350 13.788 1.00 38.15 ? 145 TYR H CE1 1 ATOM 5624 C CE2 . TYR D 1 150 ? 210.887 19.704 14.745 1.00 34.86 ? 145 TYR H CE2 1 ATOM 5625 C CZ . TYR D 1 150 ? 211.867 20.658 14.890 1.00 37.89 ? 145 TYR H CZ 1 ATOM 5626 O OH . TYR D 1 150 ? 212.369 20.917 16.144 1.00 40.34 ? 145 TYR H OH 1 ATOM 5627 N N . PHE D 1 151 ? 207.208 19.383 11.438 1.00 33.52 ? 146 PHE H N 1 ATOM 5628 C CA . PHE D 1 151 ? 206.147 18.980 12.341 1.00 38.62 ? 146 PHE H CA 1 ATOM 5629 C C . PHE D 1 151 ? 205.931 17.475 12.189 1.00 44.52 ? 146 PHE H C 1 ATOM 5630 O O . PHE D 1 151 ? 206.005 16.943 11.081 1.00 55.41 ? 146 PHE H O 1 ATOM 5631 C CB . PHE D 1 151 ? 204.856 19.749 12.046 1.00 38.65 ? 146 PHE H CB 1 ATOM 5632 C CG . PHE D 1 151 ? 203.759 19.469 13.024 1.00 43.15 ? 146 PHE H CG 1 ATOM 5633 C CD1 . PHE D 1 151 ? 203.680 20.180 14.211 1.00 39.51 ? 146 PHE H CD1 1 ATOM 5634 C CD2 . PHE D 1 151 ? 202.822 18.479 12.770 1.00 35.29 ? 146 PHE H CD2 1 ATOM 5635 C CE1 . PHE D 1 151 ? 202.678 19.918 15.128 1.00 45.08 ? 146 PHE H CE1 1 ATOM 5636 C CE2 . PHE D 1 151 ? 201.820 18.206 13.680 1.00 36.84 ? 146 PHE H CE2 1 ATOM 5637 C CZ . PHE D 1 151 ? 201.749 18.924 14.869 1.00 33.98 ? 146 PHE H CZ 1 ATOM 5638 N N . PRO D 1 152 ? 205.696 16.773 13.304 1.00 47.86 ? 147 PRO H N 1 ATOM 5639 C CA . PRO D 1 152 ? 205.759 17.301 14.666 1.00 41.00 ? 147 PRO H CA 1 ATOM 5640 C C . PRO D 1 152 ? 207.149 17.118 15.257 1.00 43.76 ? 147 PRO H C 1 ATOM 5641 O O . PRO D 1 152 ? 208.121 16.946 14.524 1.00 49.15 ? 147 PRO H O 1 ATOM 5642 C CB . PRO D 1 152 ? 204.736 16.446 15.408 1.00 38.06 ? 147 PRO H CB 1 ATOM 5643 C CG . PRO D 1 152 ? 204.869 15.099 14.748 1.00 39.34 ? 147 PRO H CG 1 ATOM 5644 C CD . PRO D 1 152 ? 205.271 15.361 13.297 1.00 48.81 ? 147 PRO H CD 1 ATOM 5645 N N . GLU D 1 153 ? 207.227 17.138 16.577 1.00 42.98 ? 148 GLU H N 1 ATOM 5646 C CA . GLU D 1 153 ? 208.466 16.888 17.288 1.00 45.09 ? 148 GLU H CA 1 ATOM 5647 C C . GLU D 1 153 ? 208.670 15.386 17.495 1.00 51.60 ? 148 GLU H C 1 ATOM 5648 O O . GLU D 1 153 ? 207.710 14.615 17.414 1.00 63.96 ? 148 GLU H O 1 ATOM 5649 C CB . GLU D 1 153 ? 208.443 17.620 18.624 1.00 40.29 ? 148 GLU H CB 1 ATOM 5650 C CG . GLU D 1 153 ? 208.354 19.121 18.499 1.00 51.35 ? 148 GLU H CG 1 ATOM 5651 C CD . GLU D 1 153 ? 209.501 19.800 19.204 1.00 70.37 ? 148 GLU H CD 1 ATOM 5652 O OE1 . GLU D 1 153 ? 210.663 19.623 18.752 1.00 65.99 ? 148 GLU H OE1 1 ATOM 5653 O OE2 . GLU D 1 153 ? 209.236 20.480 20.225 1.00 76.81 -1 148 GLU H OE2 1 ATOM 5654 N N . PRO D 1 154 ? 209.922 14.960 17.743 1.00 49.18 ? 149 PRO H N 1 ATOM 5655 C CA . PRO D 1 154 ? 211.136 15.785 17.721 1.00 44.08 ? 149 PRO H CA 1 ATOM 5656 C C . PRO D 1 154 ? 211.985 15.572 16.465 1.00 37.80 ? 149 PRO H C 1 ATOM 5657 O O . PRO D 1 154 ? 211.667 14.709 15.639 1.00 46.32 ? 149 PRO H O 1 ATOM 5658 C CB . PRO D 1 154 ? 211.891 15.282 18.943 1.00 36.47 ? 149 PRO H CB 1 ATOM 5659 C CG . PRO D 1 154 ? 211.649 13.773 18.853 1.00 31.12 ? 149 PRO H CG 1 ATOM 5660 C CD . PRO D 1 154 ? 210.209 13.629 18.317 1.00 34.73 ? 149 PRO H CD 1 ATOM 5661 N N . VAL D 1 155 ? 213.052 16.365 16.337 1.00 36.22 ? 150 VAL H N 1 ATOM 5662 C CA . VAL D 1 155 ? 214.195 16.042 15.492 1.00 41.02 ? 150 VAL H CA 1 ATOM 5663 C C . VAL D 1 155 ? 215.351 15.661 16.408 1.00 44.17 ? 150 VAL H C 1 ATOM 5664 O O . VAL D 1 155 ? 215.406 16.074 17.570 1.00 51.07 ? 150 VAL H O 1 ATOM 5665 C CB . VAL D 1 155 ? 214.615 17.201 14.558 1.00 47.11 ? 150 VAL H CB 1 ATOM 5666 C CG1 . VAL D 1 155 ? 213.492 17.561 13.598 1.00 54.88 ? 150 VAL H CG1 1 ATOM 5667 C CG2 . VAL D 1 155 ? 215.051 18.408 15.370 1.00 44.70 ? 150 VAL H CG2 1 ATOM 5668 N N . THR D 1 156 ? 216.274 14.858 15.883 1.00 44.84 ? 151 THR H N 1 ATOM 5669 C CA . THR D 1 156 ? 217.492 14.485 16.589 1.00 31.08 ? 151 THR H CA 1 ATOM 5670 C C . THR D 1 156 ? 218.683 14.991 15.791 1.00 49.23 ? 151 THR H C 1 ATOM 5671 O O . THR D 1 156 ? 218.734 14.811 14.569 1.00 60.21 ? 151 THR H O 1 ATOM 5672 C CB . THR D 1 156 ? 217.588 12.966 16.792 1.00 55.39 ? 151 THR H CB 1 ATOM 5673 O OG1 . THR D 1 156 ? 217.729 12.307 15.525 1.00 66.27 ? 151 THR H OG1 1 ATOM 5674 C CG2 . THR D 1 156 ? 216.341 12.437 17.502 1.00 55.99 ? 151 THR H CG2 1 ATOM 5675 N N . VAL D 1 157 ? 219.624 15.646 16.473 1.00 46.67 ? 152 VAL H N 1 ATOM 5676 C CA . VAL D 1 157 ? 220.810 16.203 15.833 1.00 45.30 ? 152 VAL H CA 1 ATOM 5677 C C . VAL D 1 157 ? 222.051 15.609 16.482 1.00 51.95 ? 152 VAL H C 1 ATOM 5678 O O . VAL D 1 157 ? 222.122 15.476 17.708 1.00 53.04 ? 152 VAL H O 1 ATOM 5679 C CB . VAL D 1 157 ? 220.855 17.742 15.904 1.00 45.96 ? 152 VAL H CB 1 ATOM 5680 C CG1 . VAL D 1 157 ? 222.140 18.253 15.262 1.00 37.64 ? 152 VAL H CG1 1 ATOM 5681 C CG2 . VAL D 1 157 ? 219.639 18.348 15.208 1.00 44.16 ? 152 VAL H CG2 1 ATOM 5682 N N . SER D 1 158 ? 223.013 15.215 15.650 1.00 45.93 ? 153 SER H N 1 ATOM 5683 C CA . SER D 1 158 ? 224.364 14.938 16.101 1.00 45.77 ? 153 SER H CA 1 ATOM 5684 C C . SER D 1 158 ? 225.334 15.614 15.143 1.00 49.60 ? 153 SER H C 1 ATOM 5685 O O . SER D 1 158 ? 224.943 16.150 14.102 1.00 47.88 ? 153 SER H O 1 ATOM 5686 C CB . SER D 1 158 ? 224.648 13.438 16.184 1.00 37.45 ? 153 SER H CB 1 ATOM 5687 O OG . SER D 1 158 ? 224.668 12.879 14.890 1.00 66.44 ? 153 SER H OG 1 ATOM 5688 N N . TRP D 1 159 ? 226.611 15.597 15.510 1.00 41.91 ? 154 TRP H N 1 ATOM 5689 C CA . TRP D 1 159 ? 227.670 16.154 14.685 1.00 45.48 ? 154 TRP H CA 1 ATOM 5690 C C . TRP D 1 159 ? 228.700 15.070 14.403 1.00 45.63 ? 154 TRP H C 1 ATOM 5691 O O . TRP D 1 159 ? 229.139 14.371 15.324 1.00 41.02 ? 154 TRP H O 1 ATOM 5692 C CB . TRP D 1 159 ? 228.310 17.368 15.365 1.00 46.12 ? 154 TRP H CB 1 ATOM 5693 C CG . TRP D 1 159 ? 227.425 18.566 15.302 1.00 42.24 ? 154 TRP H CG 1 ATOM 5694 C CD1 . TRP D 1 159 ? 226.446 18.904 16.181 1.00 41.60 ? 154 TRP H CD1 1 ATOM 5695 C CD2 . TRP D 1 159 ? 227.423 19.578 14.288 1.00 40.76 ? 154 TRP H CD2 1 ATOM 5696 N NE1 . TRP D 1 159 ? 225.830 20.059 15.781 1.00 30.65 ? 154 TRP H NE1 1 ATOM 5697 C CE2 . TRP D 1 159 ? 226.413 20.498 14.622 1.00 33.39 ? 154 TRP H CE2 1 ATOM 5698 C CE3 . TRP D 1 159 ? 228.179 19.796 13.133 1.00 43.07 ? 154 TRP H CE3 1 ATOM 5699 C CZ2 . TRP D 1 159 ? 226.141 21.625 13.847 1.00 37.51 ? 154 TRP H CZ2 1 ATOM 5700 C CZ3 . TRP D 1 159 ? 227.903 20.910 12.360 1.00 52.14 ? 154 TRP H CZ3 1 ATOM 5701 C CH2 . TRP D 1 159 ? 226.896 21.813 12.723 1.00 52.08 ? 154 TRP H CH2 1 ATOM 5702 N N . ASN D 1 160 ? 229.051 14.917 13.124 1.00 45.00 ? 155 ASN H N 1 ATOM 5703 C CA . ASN D 1 160 ? 230.045 13.937 12.678 1.00 37.60 ? 155 ASN H CA 1 ATOM 5704 C C . ASN D 1 160 ? 229.747 12.539 13.220 1.00 54.59 ? 155 ASN H C 1 ATOM 5705 O O . ASN D 1 160 ? 230.651 11.801 13.624 1.00 43.46 ? 155 ASN H O 1 ATOM 5706 C CB . ASN D 1 160 ? 231.458 14.384 13.053 1.00 38.21 ? 155 ASN H CB 1 ATOM 5707 C CG . ASN D 1 160 ? 231.894 15.621 12.287 1.00 55.94 ? 155 ASN H CG 1 ATOM 5708 O OD1 . ASN D 1 160 ? 231.222 16.041 11.341 1.00 52.17 ? 155 ASN H OD1 1 ATOM 5709 N ND2 . ASN D 1 160 ? 233.023 16.206 12.683 1.00 48.70 ? 155 ASN H ND2 1 ATOM 5710 N N . SER D 1 161 ? 228.456 12.182 13.233 1.00 41.51 ? 156 SER H N 1 ATOM 5711 C CA . SER D 1 161 ? 228.002 10.837 13.601 1.00 50.86 ? 156 SER H CA 1 ATOM 5712 C C . SER D 1 161 ? 228.499 10.429 14.988 1.00 54.46 ? 156 SER H C 1 ATOM 5713 O O . SER D 1 161 ? 228.934 9.293 15.203 1.00 63.16 ? 156 SER H O 1 ATOM 5714 C CB . SER D 1 161 ? 228.429 9.805 12.554 1.00 50.87 ? 156 SER H CB 1 ATOM 5715 O OG . SER D 1 161 ? 228.186 10.275 11.242 1.00 60.25 ? 156 SER H OG 1 ATOM 5716 N N . GLY D 1 162 ? 228.439 11.363 15.939 1.00 50.14 ? 157 GLY H N 1 ATOM 5717 C CA . GLY D 1 162 ? 228.831 11.099 17.307 1.00 49.87 ? 157 GLY H CA 1 ATOM 5718 C C . GLY D 1 162 ? 230.292 11.351 17.633 1.00 54.43 ? 157 GLY H C 1 ATOM 5719 O O . GLY D 1 162 ? 230.669 11.262 18.807 1.00 58.24 ? 157 GLY H O 1 ATOM 5720 N N . ALA D 1 163 ? 231.131 11.656 16.641 1.00 45.43 ? 158 ALA H N 1 ATOM 5721 C CA . ALA D 1 163 ? 232.549 11.881 16.897 1.00 56.19 ? 158 ALA H CA 1 ATOM 5722 C C . ALA D 1 163 ? 232.834 13.261 17.467 1.00 66.25 ? 158 ALA H C 1 ATOM 5723 O O . ALA D 1 163 ? 233.976 13.530 17.853 1.00 70.66 ? 158 ALA H O 1 ATOM 5724 C CB . ALA D 1 163 ? 233.360 11.693 15.614 1.00 52.24 ? 158 ALA H CB 1 ATOM 5725 N N . LEU D 1 164 ? 231.829 14.131 17.525 1.00 64.43 ? 159 LEU H N 1 ATOM 5726 C CA . LEU D 1 164 ? 231.991 15.519 17.944 1.00 53.04 ? 159 LEU H CA 1 ATOM 5727 C C . LEU D 1 164 ? 230.874 15.828 18.935 1.00 56.49 ? 159 LEU H C 1 ATOM 5728 O O . LEU D 1 164 ? 229.736 16.091 18.536 1.00 65.82 ? 159 LEU H O 1 ATOM 5729 C CB . LEU D 1 164 ? 231.955 16.456 16.741 1.00 47.28 ? 159 LEU H CB 1 ATOM 5730 C CG . LEU D 1 164 ? 231.954 17.953 17.039 1.00 50.08 ? 159 LEU H CG 1 ATOM 5731 C CD1 . LEU D 1 164 ? 233.151 18.319 17.898 1.00 47.90 ? 159 LEU H CD1 1 ATOM 5732 C CD2 . LEU D 1 164 ? 231.951 18.751 15.746 1.00 37.80 ? 159 LEU H CD2 1 ATOM 5733 N N . THR D 1 165 ? 231.194 15.776 20.226 1.00 64.89 ? 160 THR H N 1 ATOM 5734 C CA . THR D 1 165 ? 230.252 16.127 21.279 1.00 64.27 ? 160 THR H CA 1 ATOM 5735 C C . THR D 1 165 ? 230.675 17.338 22.097 1.00 56.50 ? 160 THR H C 1 ATOM 5736 O O . THR D 1 165 ? 229.810 18.110 22.521 1.00 67.15 ? 160 THR H O 1 ATOM 5737 C CB . THR D 1 165 ? 230.043 14.940 22.232 1.00 74.68 ? 160 THR H CB 1 ATOM 5738 O OG1 . THR D 1 165 ? 231.207 14.770 23.051 1.00 77.22 ? 160 THR H OG1 1 ATOM 5739 C CG2 . THR D 1 165 ? 229.804 13.669 21.438 1.00 81.46 ? 160 THR H CG2 1 ATOM 5740 N N . SER D 1 166 ? 231.972 17.524 22.329 1.00 58.99 ? 161 SER H N 1 ATOM 5741 C CA . SER D 1 166 ? 232.453 18.669 23.091 1.00 60.74 ? 161 SER H CA 1 ATOM 5742 C C . SER D 1 166 ? 232.119 19.973 22.373 1.00 54.78 ? 161 SER H C 1 ATOM 5743 O O . SER D 1 166 ? 232.427 20.142 21.188 1.00 55.95 ? 161 SER H O 1 ATOM 5744 C CB . SER D 1 166 ? 233.960 18.557 23.309 1.00 63.92 ? 161 SER H CB 1 ATOM 5745 O OG . SER D 1 166 ? 234.467 19.704 23.967 1.00 71.67 ? 161 SER H OG 1 ATOM 5746 N N . GLY D 1 167 ? 231.491 20.896 23.097 1.00 42.88 ? 162 GLY H N 1 ATOM 5747 C CA . GLY D 1 167 ? 231.124 22.179 22.534 1.00 50.34 ? 162 GLY H CA 1 ATOM 5748 C C . GLY D 1 167 ? 229.803 22.222 21.793 1.00 55.90 ? 162 GLY H C 1 ATOM 5749 O O . GLY D 1 167 ? 229.480 23.260 21.204 1.00 54.69 ? 162 GLY H O 1 ATOM 5750 N N . VAL D 1 168 ? 229.024 21.144 21.810 1.00 33.40 ? 163 VAL H N 1 ATOM 5751 C CA . VAL D 1 168 ? 227.772 21.073 21.063 1.00 33.61 ? 163 VAL H CA 1 ATOM 5752 C C . VAL D 1 168 ? 226.646 21.619 21.926 1.00 36.97 ? 163 VAL H C 1 ATOM 5753 O O . VAL D 1 168 ? 226.580 21.341 23.129 1.00 42.21 ? 163 VAL H O 1 ATOM 5754 C CB . VAL D 1 168 ? 227.480 19.624 20.619 1.00 43.15 ? 163 VAL H CB 1 ATOM 5755 C CG1 . VAL D 1 168 ? 226.094 19.516 19.986 1.00 31.12 ? 163 VAL H CG1 1 ATOM 5756 C CG2 . VAL D 1 168 ? 228.555 19.126 19.655 1.00 33.02 ? 163 VAL H CG2 1 ATOM 5757 N N . HIS D 1 169 ? 225.761 22.408 21.316 1.00 40.96 ? 164 HIS H N 1 ATOM 5758 C CA . HIS D 1 169 ? 224.554 22.896 21.981 1.00 43.35 ? 164 HIS H CA 1 ATOM 5759 C C . HIS D 1 169 ? 223.392 22.794 21.013 1.00 40.02 ? 164 HIS H C 1 ATOM 5760 O O . HIS D 1 169 ? 223.395 23.461 19.975 1.00 45.46 ? 164 HIS H O 1 ATOM 5761 C CB . HIS D 1 169 ? 224.704 24.345 22.448 1.00 40.85 ? 164 HIS H CB 1 ATOM 5762 C CG . HIS D 1 169 ? 225.629 24.518 23.609 1.00 43.32 ? 164 HIS H CG 1 ATOM 5763 N ND1 . HIS D 1 169 ? 226.803 25.233 23.521 1.00 47.99 ? 164 HIS H ND1 1 ATOM 5764 C CD2 . HIS D 1 169 ? 225.544 24.085 24.889 1.00 33.96 ? 164 HIS H CD2 1 ATOM 5765 C CE1 . HIS D 1 169 ? 227.407 25.228 24.697 1.00 50.28 ? 164 HIS H CE1 1 ATOM 5766 N NE2 . HIS D 1 169 ? 226.661 24.541 25.545 1.00 40.40 ? 164 HIS H NE2 1 ATOM 5767 N N . THR D 1 170 ? 222.395 21.981 21.348 1.00 39.66 ? 165 THR H N 1 ATOM 5768 C CA . THR D 1 170 ? 221.181 21.887 20.550 1.00 32.38 ? 165 THR H CA 1 ATOM 5769 C C . THR D 1 170 ? 220.053 22.580 21.305 1.00 35.82 ? 165 THR H C 1 ATOM 5770 O O . THR D 1 170 ? 219.757 22.231 22.452 1.00 41.76 ? 165 THR H O 1 ATOM 5771 C CB . THR D 1 170 ? 220.838 20.436 20.230 1.00 45.69 ? 165 THR H CB 1 ATOM 5772 O OG1 . THR D 1 170 ? 221.873 19.882 19.404 1.00 54.58 ? 165 THR H OG1 1 ATOM 5773 C CG2 . THR D 1 170 ? 219.495 20.352 19.485 1.00 32.70 ? 165 THR H CG2 1 ATOM 5774 N N . PHE D 1 171 ? 219.440 23.563 20.667 1.00 31.97 ? 166 PHE H N 1 ATOM 5775 C CA . PHE D 1 171 ? 218.473 24.339 21.418 1.00 37.65 ? 166 PHE H CA 1 ATOM 5776 C C . PHE D 1 171 ? 217.089 23.708 21.355 1.00 41.85 ? 166 PHE H C 1 ATOM 5777 O O . PHE D 1 171 ? 216.791 22.932 20.442 1.00 51.70 ? 166 PHE H O 1 ATOM 5778 C CB . PHE D 1 171 ? 218.419 25.758 20.882 1.00 33.58 ? 166 PHE H CB 1 ATOM 5779 C CG . PHE D 1 171 ? 219.682 26.511 21.100 1.00 35.44 ? 166 PHE H CG 1 ATOM 5780 C CD1 . PHE D 1 171 ? 219.917 27.153 22.302 1.00 29.25 ? 166 PHE H CD1 1 ATOM 5781 C CD2 . PHE D 1 171 ? 220.655 26.550 20.116 1.00 36.62 ? 166 PHE H CD2 1 ATOM 5782 C CE1 . PHE D 1 171 ? 221.097 27.845 22.510 1.00 38.50 ? 166 PHE H CE1 1 ATOM 5783 C CE2 . PHE D 1 171 ? 221.831 27.240 20.318 1.00 37.27 ? 166 PHE H CE2 1 ATOM 5784 C CZ . PHE D 1 171 ? 222.055 27.887 21.516 1.00 32.53 ? 166 PHE H CZ 1 ATOM 5785 N N . PRO D 1 172 ? 216.234 24.014 22.329 1.00 41.79 ? 167 PRO H N 1 ATOM 5786 C CA . PRO D 1 172 ? 214.841 23.560 22.244 1.00 34.93 ? 167 PRO H CA 1 ATOM 5787 C C . PRO D 1 172 ? 214.148 24.192 21.045 1.00 39.96 ? 167 PRO H C 1 ATOM 5788 O O . PRO D 1 172 ? 214.445 25.321 20.649 1.00 41.08 ? 167 PRO H O 1 ATOM 5789 C CB . PRO D 1 172 ? 214.219 24.035 23.566 1.00 26.50 ? 167 PRO H CB 1 ATOM 5790 C CG . PRO D 1 172 ? 215.397 24.323 24.483 1.00 33.49 ? 167 PRO H CG 1 ATOM 5791 C CD . PRO D 1 172 ? 216.520 24.742 23.581 1.00 36.97 ? 167 PRO H CD 1 ATOM 5792 N N . ALA D 1 173 ? 213.227 23.436 20.457 1.00 37.68 ? 168 ALA H N 1 ATOM 5793 C CA . ALA D 1 173 ? 212.467 23.932 19.322 1.00 36.08 ? 168 ALA H CA 1 ATOM 5794 C C . ALA D 1 173 ? 211.542 25.065 19.748 1.00 40.01 ? 168 ALA H C 1 ATOM 5795 O O . ALA D 1 173 ? 210.991 25.054 20.852 1.00 48.26 ? 168 ALA H O 1 ATOM 5796 C CB . ALA D 1 173 ? 211.646 22.798 18.709 1.00 40.80 ? 168 ALA H CB 1 ATOM 5797 N N . VAL D 1 174 ? 211.367 26.046 18.870 1.00 43.13 ? 169 VAL H N 1 ATOM 5798 C CA . VAL D 1 174 ? 210.358 27.081 19.057 1.00 47.10 ? 169 VAL H CA 1 ATOM 5799 C C . VAL D 1 174 ? 209.242 26.822 18.058 1.00 51.87 ? 169 VAL H C 1 ATOM 5800 O O . VAL D 1 174 ? 209.486 26.348 16.940 1.00 45.79 ? 169 VAL H O 1 ATOM 5801 C CB . VAL D 1 174 ? 210.911 28.512 18.899 1.00 47.18 ? 169 VAL H CB 1 ATOM 5802 C CG1 . VAL D 1 174 ? 212.061 28.749 19.860 1.00 51.55 ? 169 VAL H CG1 1 ATOM 5803 C CG2 . VAL D 1 174 ? 211.335 28.784 17.456 1.00 54.20 ? 169 VAL H CG2 1 ATOM 5804 N N . LEU D 1 175 ? 208.016 27.111 18.476 1.00 42.32 ? 170 LEU H N 1 ATOM 5805 C CA . LEU D 1 175 ? 206.846 26.981 17.620 1.00 31.76 ? 170 LEU H CA 1 ATOM 5806 C C . LEU D 1 175 ? 206.681 28.288 16.856 1.00 43.07 ? 170 LEU H C 1 ATOM 5807 O O . LEU D 1 175 ? 206.355 29.321 17.446 1.00 59.41 ? 170 LEU H O 1 ATOM 5808 C CB . LEU D 1 175 ? 205.611 26.653 18.454 1.00 35.33 ? 170 LEU H CB 1 ATOM 5809 C CG . LEU D 1 175 ? 204.326 26.280 17.707 1.00 52.87 ? 170 LEU H CG 1 ATOM 5810 C CD1 . LEU D 1 175 ? 204.584 25.246 16.608 1.00 44.72 ? 170 LEU H CD1 1 ATOM 5811 C CD2 . LEU D 1 175 ? 203.296 25.756 18.693 1.00 45.09 ? 170 LEU H CD2 1 ATOM 5812 N N . GLN D 1 176 ? 206.950 28.255 15.555 1.00 42.57 ? 171 GLN H N 1 ATOM 5813 C CA . GLN D 1 176 ? 206.741 29.428 14.725 1.00 45.10 ? 171 GLN H CA 1 ATOM 5814 C C . GLN D 1 176 ? 205.248 29.682 14.527 1.00 51.24 ? 171 GLN H C 1 ATOM 5815 O O . GLN D 1 176 ? 204.407 28.800 14.715 1.00 54.80 ? 171 GLN H O 1 ATOM 5816 C CB . GLN D 1 176 ? 207.407 29.253 13.364 1.00 46.06 ? 171 GLN H CB 1 ATOM 5817 C CG . GLN D 1 176 ? 208.889 28.954 13.398 1.00 43.00 ? 171 GLN H CG 1 ATOM 5818 C CD . GLN D 1 176 ? 209.391 28.544 12.028 1.00 63.56 ? 171 GLN H CD 1 ATOM 5819 O OE1 . GLN D 1 176 ? 210.042 29.321 11.327 1.00 72.47 ? 171 GLN H OE1 1 ATOM 5820 N NE2 . GLN D 1 176 ? 209.062 27.322 11.626 1.00 70.73 ? 171 GLN H NE2 1 ATOM 5821 N N . SER D 1 177 ? 204.927 30.904 14.103 1.00 58.55 ? 172 SER H N 1 ATOM 5822 C CA . SER D 1 177 ? 203.533 31.294 13.916 1.00 67.16 ? 172 SER H CA 1 ATOM 5823 C C . SER D 1 177 ? 202.850 30.546 12.778 1.00 65.68 ? 172 SER H C 1 ATOM 5824 O O . SER D 1 177 ? 201.633 30.680 12.622 1.00 64.37 ? 172 SER H O 1 ATOM 5825 C CB . SER D 1 177 ? 203.439 32.801 13.672 1.00 70.98 ? 172 SER H CB 1 ATOM 5826 O OG . SER D 1 177 ? 204.324 33.205 12.641 1.00 91.09 ? 172 SER H OG 1 ATOM 5827 N N . SER D 1 178 ? 203.593 29.770 11.991 1.00 60.68 ? 173 SER H N 1 ATOM 5828 C CA . SER D 1 178 ? 203.053 28.960 10.906 1.00 48.22 ? 173 SER H CA 1 ATOM 5829 C C . SER D 1 178 ? 202.572 27.584 11.362 1.00 55.04 ? 173 SER H C 1 ATOM 5830 O O . SER D 1 178 ? 202.107 26.797 10.528 1.00 57.21 ? 173 SER H O 1 ATOM 5831 C CB . SER D 1 178 ? 204.118 28.781 9.823 1.00 53.42 ? 173 SER H CB 1 ATOM 5832 O OG . SER D 1 178 ? 205.300 28.212 10.377 1.00 56.05 ? 173 SER H OG 1 ATOM 5833 N N . GLY D 1 179 ? 202.689 27.267 12.652 1.00 42.33 ? 174 GLY H N 1 ATOM 5834 C CA . GLY D 1 179 ? 202.371 25.950 13.156 1.00 46.66 ? 174 GLY H CA 1 ATOM 5835 C C . GLY D 1 179 ? 203.525 24.968 13.154 1.00 56.62 ? 174 GLY H C 1 ATOM 5836 O O . GLY D 1 179 ? 203.416 23.906 13.782 1.00 61.87 ? 174 GLY H O 1 ATOM 5837 N N . LEU D 1 180 ? 204.622 25.289 12.476 1.00 48.46 ? 175 LEU H N 1 ATOM 5838 C CA . LEU D 1 180 ? 205.766 24.402 12.348 1.00 48.48 ? 175 LEU H CA 1 ATOM 5839 C C . LEU D 1 180 ? 206.847 24.787 13.351 1.00 46.02 ? 175 LEU H C 1 ATOM 5840 O O . LEU D 1 180 ? 206.925 25.927 13.817 1.00 41.03 ? 175 LEU H O 1 ATOM 5841 C CB . LEU D 1 180 ? 206.318 24.443 10.916 1.00 34.40 ? 175 LEU H CB 1 ATOM 5842 C CG . LEU D 1 180 ? 205.284 24.167 9.813 1.00 51.10 ? 175 LEU H CG 1 ATOM 5843 C CD1 . LEU D 1 180 ? 205.860 24.389 8.414 1.00 37.25 ? 175 LEU H CD1 1 ATOM 5844 C CD2 . LEU D 1 180 ? 204.706 22.756 9.944 1.00 36.41 ? 175 LEU H CD2 1 ATOM 5845 N N . TYR D 1 181 ? 207.682 23.812 13.688 1.00 39.85 ? 176 TYR H N 1 ATOM 5846 C CA . TYR D 1 181 ? 208.776 24.038 14.614 1.00 33.55 ? 176 TYR H CA 1 ATOM 5847 C C . TYR D 1 181 ? 210.067 24.320 13.864 1.00 43.05 ? 176 TYR H C 1 ATOM 5848 O O . TYR D 1 181 ? 210.207 24.023 12.674 1.00 47.00 ? 176 TYR H O 1 ATOM 5849 C CB . TYR D 1 181 ? 208.969 22.833 15.532 1.00 37.92 ? 176 TYR H CB 1 ATOM 5850 C CG . TYR D 1 181 ? 207.818 22.553 16.480 1.00 42.30 ? 176 TYR H CG 1 ATOM 5851 C CD1 . TYR D 1 181 ? 207.776 23.124 17.743 1.00 42.78 ? 176 TYR H CD1 1 ATOM 5852 C CD2 . TYR D 1 181 ? 206.791 21.692 16.120 1.00 38.55 ? 176 TYR H CD2 1 ATOM 5853 C CE1 . TYR D 1 181 ? 206.741 22.850 18.615 1.00 37.62 ? 176 TYR H CE1 1 ATOM 5854 C CE2 . TYR D 1 181 ? 205.747 21.412 16.982 1.00 47.10 ? 176 TYR H CE2 1 ATOM 5855 C CZ . TYR D 1 181 ? 205.726 21.995 18.227 1.00 52.21 ? 176 TYR H CZ 1 ATOM 5856 O OH . TYR D 1 181 ? 204.691 21.721 19.091 1.00 54.09 ? 176 TYR H OH 1 ATOM 5857 N N . SER D 1 182 ? 211.016 24.914 14.580 1.00 51.56 ? 177 SER H N 1 ATOM 5858 C CA . SER D 1 182 ? 212.382 24.997 14.088 1.00 53.90 ? 177 SER H CA 1 ATOM 5859 C C . SER D 1 182 ? 213.313 25.129 15.279 1.00 44.94 ? 177 SER H C 1 ATOM 5860 O O . SER D 1 182 ? 212.900 25.517 16.374 1.00 41.30 ? 177 SER H O 1 ATOM 5861 C CB . SER D 1 182 ? 212.577 26.159 13.112 1.00 54.25 ? 177 SER H CB 1 ATOM 5862 O OG . SER D 1 182 ? 212.387 27.392 13.755 1.00 60.74 ? 177 SER H OG 1 ATOM 5863 N N . LEU D 1 183 ? 214.577 24.783 15.056 1.00 48.96 ? 178 LEU H N 1 ATOM 5864 C CA . LEU D 1 183 ? 215.578 24.884 16.102 1.00 49.06 ? 178 LEU H CA 1 ATOM 5865 C C . LEU D 1 183 ? 216.948 25.058 15.468 1.00 46.12 ? 178 LEU H C 1 ATOM 5866 O O . LEU D 1 183 ? 217.089 25.127 14.245 1.00 45.71 ? 178 LEU H O 1 ATOM 5867 C CB . LEU D 1 183 ? 215.547 23.663 17.026 1.00 51.91 ? 178 LEU H CB 1 ATOM 5868 C CG . LEU D 1 183 ? 215.842 22.242 16.538 1.00 43.99 ? 178 LEU H CG 1 ATOM 5869 C CD1 . LEU D 1 183 ? 217.312 21.995 16.189 1.00 41.60 ? 178 LEU H CD1 1 ATOM 5870 C CD2 . LEU D 1 183 ? 215.422 21.287 17.632 1.00 38.63 ? 178 LEU H CD2 1 ATOM 5871 N N . SER D 1 184 ? 217.964 25.092 16.326 1.00 47.26 ? 179 SER H N 1 ATOM 5872 C CA . SER D 1 184 ? 219.348 25.274 15.926 1.00 47.07 ? 179 SER H CA 1 ATOM 5873 C C . SER D 1 184 ? 220.246 24.379 16.766 1.00 49.01 ? 179 SER H C 1 ATOM 5874 O O . SER D 1 184 ? 220.024 24.213 17.969 1.00 48.29 ? 179 SER H O 1 ATOM 5875 C CB . SER D 1 184 ? 219.780 26.731 16.084 1.00 46.99 ? 179 SER H CB 1 ATOM 5876 O OG . SER D 1 184 ? 219.264 27.514 15.025 1.00 71.91 ? 179 SER H OG 1 ATOM 5877 N N . SER D 1 185 ? 221.251 23.794 16.119 1.00 35.67 ? 180 SER H N 1 ATOM 5878 C CA . SER D 1 185 ? 222.335 23.097 16.792 1.00 31.09 ? 180 SER H CA 1 ATOM 5879 C C . SER D 1 185 ? 223.637 23.774 16.403 1.00 40.43 ? 180 SER H C 1 ATOM 5880 O O . SER D 1 185 ? 223.885 24.004 15.215 1.00 45.74 ? 180 SER H O 1 ATOM 5881 C CB . SER D 1 185 ? 222.370 21.617 16.412 1.00 47.44 ? 180 SER H CB 1 ATOM 5882 O OG . SER D 1 185 ? 223.312 20.914 17.201 1.00 55.57 ? 180 SER H OG 1 ATOM 5883 N N . VAL D 1 186 ? 224.458 24.107 17.398 1.00 43.06 ? 181 VAL H N 1 ATOM 5884 C CA . VAL D 1 186 ? 225.706 24.823 17.175 1.00 42.94 ? 181 VAL H CA 1 ATOM 5885 C C . VAL D 1 186 ? 226.837 24.082 17.867 1.00 48.24 ? 181 VAL H C 1 ATOM 5886 O O . VAL D 1 186 ? 226.626 23.278 18.778 1.00 47.62 ? 181 VAL H O 1 ATOM 5887 C CB . VAL D 1 186 ? 225.652 26.271 17.692 1.00 37.86 ? 181 VAL H CB 1 ATOM 5888 C CG1 . VAL D 1 186 ? 224.538 27.037 17.008 1.00 34.87 ? 181 VAL H CG1 1 ATOM 5889 C CG2 . VAL D 1 186 ? 225.465 26.268 19.203 1.00 35.69 ? 181 VAL H CG2 1 ATOM 5890 N N . VAL D 1 187 ? 228.054 24.386 17.434 1.00 41.98 ? 182 VAL H N 1 ATOM 5891 C CA . VAL D 1 187 ? 229.251 23.840 18.054 1.00 36.64 ? 182 VAL H CA 1 ATOM 5892 C C . VAL D 1 187 ? 230.357 24.880 17.945 1.00 47.18 ? 182 VAL H C 1 ATOM 5893 O O . VAL D 1 187 ? 230.478 25.574 16.930 1.00 42.26 ? 182 VAL H O 1 ATOM 5894 C CB . VAL D 1 187 ? 229.657 22.504 17.401 1.00 44.76 ? 182 VAL H CB 1 ATOM 5895 C CG1 . VAL D 1 187 ? 229.781 22.668 15.903 1.00 47.56 ? 182 VAL H CG1 1 ATOM 5896 C CG2 . VAL D 1 187 ? 230.957 21.989 17.998 1.00 47.33 ? 182 VAL H CG2 1 ATOM 5897 N N . THR D 1 188 ? 231.149 25.006 19.006 1.00 40.57 ? 183 THR H N 1 ATOM 5898 C CA . THR D 1 188 ? 232.360 25.816 18.971 1.00 45.76 ? 183 THR H CA 1 ATOM 5899 C C . THR D 1 188 ? 233.565 24.904 18.789 1.00 46.32 ? 183 THR H C 1 ATOM 5900 O O . THR D 1 188 ? 233.698 23.888 19.479 1.00 62.73 ? 183 THR H O 1 ATOM 5901 C CB . THR D 1 188 ? 232.510 26.667 20.233 1.00 46.22 ? 183 THR H CB 1 ATOM 5902 O OG1 . THR D 1 188 ? 232.200 25.881 21.389 1.00 53.25 ? 183 THR H OG1 1 ATOM 5903 C CG2 . THR D 1 188 ? 231.578 27.870 20.166 1.00 45.38 ? 183 THR H CG2 1 ATOM 5904 N N . VAL D 1 189 ? 234.417 25.257 17.837 1.00 43.29 ? 184 VAL H N 1 ATOM 5905 C CA . VAL D 1 189 ? 235.567 24.437 17.455 1.00 49.70 ? 184 VAL H CA 1 ATOM 5906 C C . VAL D 1 189 ? 236.767 25.338 17.349 1.00 55.94 ? 184 VAL H C 1 ATOM 5907 O O . VAL D 1 189 ? 236.631 26.577 17.252 1.00 61.18 ? 184 VAL H O 1 ATOM 5908 C CB . VAL D 1 189 ? 235.311 23.699 16.116 1.00 42.38 ? 184 VAL H CB 1 ATOM 5909 C CG1 . VAL D 1 189 ? 234.028 22.895 16.178 1.00 48.98 ? 184 VAL H CG1 1 ATOM 5910 C CG2 . VAL D 1 189 ? 235.261 24.704 14.972 1.00 47.55 ? 184 VAL H CG2 1 ATOM 5911 N N . PRO D 1 190 ? 237.982 24.783 17.375 1.00 63.12 ? 185 PRO H N 1 ATOM 5912 C CA . PRO D 1 190 ? 239.171 25.601 17.119 1.00 64.24 ? 185 PRO H CA 1 ATOM 5913 C C . PRO D 1 190 ? 239.120 26.180 15.713 1.00 63.81 ? 185 PRO H C 1 ATOM 5914 O O . PRO D 1 190 ? 238.766 25.490 14.754 1.00 67.54 ? 185 PRO H O 1 ATOM 5915 C CB . PRO D 1 190 ? 240.333 24.617 17.292 1.00 51.41 ? 185 PRO H CB 1 ATOM 5916 C CG . PRO D 1 190 ? 239.788 23.563 18.209 1.00 51.67 ? 185 PRO H CG 1 ATOM 5917 C CD . PRO D 1 190 ? 238.339 23.420 17.820 1.00 54.98 ? 185 PRO H CD 1 ATOM 5918 N N . SER D 1 191 ? 239.443 27.470 15.603 1.00 63.30 ? 186 SER H N 1 ATOM 5919 C CA . SER D 1 191 ? 239.408 28.133 14.303 1.00 67.94 ? 186 SER H CA 1 ATOM 5920 C C . SER D 1 191 ? 240.519 27.652 13.382 1.00 69.15 ? 186 SER H C 1 ATOM 5921 O O . SER D 1 191 ? 240.410 27.812 12.162 1.00 68.77 ? 186 SER H O 1 ATOM 5922 C CB . SER D 1 191 ? 239.490 29.649 14.478 1.00 67.53 ? 186 SER H CB 1 ATOM 5923 O OG . SER D 1 191 ? 240.679 30.014 15.157 1.00 86.27 ? 186 SER H OG 1 ATOM 5924 N N . SER D 1 192 ? 241.584 27.069 13.931 1.00 66.25 ? 187 SER H N 1 ATOM 5925 C CA . SER D 1 192 ? 242.599 26.451 13.089 1.00 74.75 ? 187 SER H CA 1 ATOM 5926 C C . SER D 1 192 ? 242.087 25.202 12.379 1.00 81.80 ? 187 SER H C 1 ATOM 5927 O O . SER D 1 192 ? 242.736 24.732 11.436 1.00 86.43 ? 187 SER H O 1 ATOM 5928 C CB . SER D 1 192 ? 243.834 26.116 13.927 1.00 72.43 ? 187 SER H CB 1 ATOM 5929 O OG . SER D 1 192 ? 243.465 25.609 15.199 1.00 71.03 ? 187 SER H OG 1 ATOM 5930 N N . SER D 1 193 ? 240.939 24.665 12.798 1.00 74.57 ? 188 SER H N 1 ATOM 5931 C CA . SER D 1 193 ? 240.382 23.465 12.185 1.00 78.56 ? 188 SER H CA 1 ATOM 5932 C C . SER D 1 193 ? 239.556 23.757 10.941 1.00 75.97 ? 188 SER H C 1 ATOM 5933 O O . SER D 1 193 ? 239.254 22.826 10.189 1.00 69.97 ? 188 SER H O 1 ATOM 5934 C CB . SER D 1 193 ? 239.513 22.709 13.193 1.00 85.44 ? 188 SER H CB 1 ATOM 5935 O OG . SER D 1 193 ? 240.233 22.417 14.377 1.00 92.22 ? 188 SER H OG 1 ATOM 5936 N N . LEU D 1 194 ? 239.175 25.015 10.712 1.00 79.18 ? 189 LEU H N 1 ATOM 5937 C CA . LEU D 1 194 ? 238.347 25.369 9.564 1.00 75.46 ? 189 LEU H CA 1 ATOM 5938 C C . LEU D 1 194 ? 239.132 25.274 8.260 1.00 89.68 ? 189 LEU H C 1 ATOM 5939 O O . LEU D 1 194 ? 239.464 26.295 7.649 1.00 99.74 ? 189 LEU H O 1 ATOM 5940 C CB . LEU D 1 194 ? 237.780 26.779 9.728 1.00 63.99 ? 189 LEU H CB 1 ATOM 5941 C CG . LEU D 1 194 ? 237.084 27.107 11.047 1.00 57.16 ? 189 LEU H CG 1 ATOM 5942 C CD1 . LEU D 1 194 ? 236.498 28.506 10.975 1.00 54.66 ? 189 LEU H CD1 1 ATOM 5943 C CD2 . LEU D 1 194 ? 236.007 26.080 11.363 1.00 47.38 ? 189 LEU H CD2 1 ATOM 5944 N N . GLY D 1 195 ? 239.428 24.056 7.823 1.00 90.40 ? 190 GLY H N 1 ATOM 5945 C CA . GLY D 1 195 ? 240.208 23.849 6.621 1.00 87.12 ? 190 GLY H CA 1 ATOM 5946 C C . GLY D 1 195 ? 240.830 22.470 6.604 1.00 87.62 ? 190 GLY H C 1 ATOM 5947 O O . GLY D 1 195 ? 241.160 21.936 5.542 1.00 93.34 ? 190 GLY H O 1 ATOM 5948 N N . THR D 1 196 ? 240.988 21.885 7.792 1.00 83.62 ? 191 THR H N 1 ATOM 5949 C CA . THR D 1 196 ? 241.539 20.547 7.945 1.00 84.96 ? 191 THR H CA 1 ATOM 5950 C C . THR D 1 196 ? 240.545 19.554 8.532 1.00 84.10 ? 191 THR H C 1 ATOM 5951 O O . THR D 1 196 ? 240.881 18.370 8.659 1.00 83.89 ? 191 THR H O 1 ATOM 5952 C CB . THR D 1 196 ? 242.791 20.583 8.833 1.00 84.25 ? 191 THR H CB 1 ATOM 5953 O OG1 . THR D 1 196 ? 242.398 20.661 10.210 1.00 91.25 ? 191 THR H OG1 1 ATOM 5954 C CG2 . THR D 1 196 ? 243.641 21.795 8.498 1.00 78.09 ? 191 THR H CG2 1 ATOM 5955 N N . GLN D 1 197 ? 239.342 19.995 8.897 1.00 73.20 ? 192 GLN H N 1 ATOM 5956 C CA . GLN D 1 197 ? 238.360 19.142 9.552 1.00 71.03 ? 192 GLN H CA 1 ATOM 5957 C C . GLN D 1 197 ? 236.989 19.399 8.944 1.00 65.23 ? 192 GLN H C 1 ATOM 5958 O O . GLN D 1 197 ? 236.583 20.557 8.796 1.00 52.56 ? 192 GLN H O 1 ATOM 5959 C CB . GLN D 1 197 ? 238.335 19.400 11.066 1.00 77.38 ? 192 GLN H CB 1 ATOM 5960 C CG . GLN D 1 197 ? 237.293 18.593 11.835 1.00 84.99 ? 192 GLN H CG 1 ATOM 5961 C CD . GLN D 1 197 ? 237.716 17.156 12.071 1.00 86.19 ? 192 GLN H CD 1 ATOM 5962 O OE1 . GLN D 1 197 ? 238.898 16.867 12.286 1.00 79.64 ? 192 GLN H OE1 1 ATOM 5963 N NE2 . GLN D 1 197 ? 236.748 16.244 12.031 1.00 80.51 ? 192 GLN H NE2 1 ATOM 5964 N N . THR D 1 198 ? 236.285 18.326 8.579 1.00 61.41 ? 193 THR H N 1 ATOM 5965 C CA . THR D 1 198 ? 234.942 18.447 8.027 1.00 67.07 ? 193 THR H CA 1 ATOM 5966 C C . THR D 1 198 ? 233.917 18.352 9.147 1.00 59.49 ? 193 THR H C 1 ATOM 5967 O O . THR D 1 198 ? 234.024 17.504 10.040 1.00 48.03 ? 193 THR H O 1 ATOM 5968 C CB . THR D 1 198 ? 234.657 17.375 6.969 1.00 76.46 ? 193 THR H CB 1 ATOM 5969 O OG1 . THR D 1 198 ? 234.920 16.075 7.510 1.00 91.37 ? 193 THR H OG1 1 ATOM 5970 C CG2 . THR D 1 198 ? 235.515 17.595 5.728 1.00 75.54 ? 193 THR H CG2 1 ATOM 5971 N N . TYR D 1 199 ? 232.931 19.240 9.097 1.00 53.63 ? 194 TYR H N 1 ATOM 5972 C CA . TYR D 1 199 ? 231.883 19.317 10.106 1.00 50.71 ? 194 TYR H CA 1 ATOM 5973 C C . TYR D 1 199 ? 230.554 19.026 9.431 1.00 57.97 ? 194 TYR H C 1 ATOM 5974 O O . TYR D 1 199 ? 230.089 19.811 8.595 1.00 56.90 ? 194 TYR H O 1 ATOM 5975 C CB . TYR D 1 199 ? 231.889 20.684 10.785 1.00 37.01 ? 194 TYR H CB 1 ATOM 5976 C CG . TYR D 1 199 ? 233.134 20.894 11.605 1.00 42.94 ? 194 TYR H CG 1 ATOM 5977 C CD1 . TYR D 1 199 ? 233.276 20.280 12.846 1.00 45.93 ? 194 TYR H CD1 1 ATOM 5978 C CD2 . TYR D 1 199 ? 234.178 21.684 11.135 1.00 41.68 ? 194 TYR H CD2 1 ATOM 5979 C CE1 . TYR D 1 199 ? 234.416 20.454 13.605 1.00 47.33 ? 194 TYR H CE1 1 ATOM 5980 C CE2 . TYR D 1 199 ? 235.331 21.864 11.888 1.00 46.84 ? 194 TYR H CE2 1 ATOM 5981 C CZ . TYR D 1 199 ? 235.440 21.246 13.124 1.00 55.30 ? 194 TYR H CZ 1 ATOM 5982 O OH . TYR D 1 199 ? 236.572 21.411 13.892 1.00 64.11 ? 194 TYR H OH 1 ATOM 5983 N N . ILE D 1 200 ? 229.951 17.898 9.793 1.00 53.74 ? 195 ILE H N 1 ATOM 5984 C CA . ILE D 1 200 ? 228.694 17.447 9.213 1.00 41.06 ? 195 ILE H CA 1 ATOM 5985 C C . ILE D 1 200 ? 227.655 17.382 10.321 1.00 46.86 ? 195 ILE H C 1 ATOM 5986 O O . ILE D 1 200 ? 227.854 16.694 11.332 1.00 51.95 ? 195 ILE H O 1 ATOM 5987 C CB . ILE D 1 200 ? 228.843 16.081 8.523 1.00 50.04 ? 195 ILE H CB 1 ATOM 5988 C CG1 . ILE D 1 200 ? 229.918 16.153 7.442 1.00 43.64 ? 195 ILE H CG1 1 ATOM 5989 C CG2 . ILE D 1 200 ? 227.516 15.625 7.927 1.00 46.92 ? 195 ILE H CG2 1 ATOM 5990 C CD1 . ILE D 1 200 ? 230.178 14.852 6.780 1.00 41.88 ? 195 ILE H CD1 1 ATOM 5991 N N . CYS D 1 201 ? 226.554 18.096 10.136 1.00 36.10 ? 196 CYS H N 1 ATOM 5992 C CA A CYS D 1 201 ? 225.424 18.004 11.048 0.50 40.80 ? 196 CYS H CA 1 ATOM 5993 C CA B CYS D 1 201 ? 225.411 18.027 11.035 0.50 40.79 ? 196 CYS H CA 1 ATOM 5994 C C . CYS D 1 201 ? 224.454 16.953 10.519 1.00 42.77 ? 196 CYS H C 1 ATOM 5995 O O . CYS D 1 201 ? 224.050 16.992 9.349 1.00 46.74 ? 196 CYS H O 1 ATOM 5996 C CB A CYS D 1 201 ? 224.735 19.357 11.232 0.50 42.20 ? 196 CYS H CB 1 ATOM 5997 C CB B CYS D 1 201 ? 224.759 19.410 11.118 0.50 42.23 ? 196 CYS H CB 1 ATOM 5998 S SG A CYS D 1 201 ? 223.744 19.974 9.851 0.50 40.66 ? 196 CYS H SG 1 ATOM 5999 S SG B CYS D 1 201 ? 223.029 19.545 11.611 0.50 53.04 ? 196 CYS H SG 1 ATOM 6000 N N . ASN D 1 202 ? 224.121 15.986 11.376 1.00 39.93 ? 197 ASN H N 1 ATOM 6001 C CA . ASN D 1 202 ? 223.231 14.878 11.037 1.00 39.08 ? 197 ASN H CA 1 ATOM 6002 C C . ASN D 1 202 ? 221.874 15.127 11.679 1.00 33.03 ? 197 ASN H C 1 ATOM 6003 O O . ASN D 1 202 ? 221.785 15.265 12.901 1.00 44.72 ? 197 ASN H O 1 ATOM 6004 C CB . ASN D 1 202 ? 223.782 13.540 11.531 1.00 43.62 ? 197 ASN H CB 1 ATOM 6005 C CG . ASN D 1 202 ? 225.285 13.431 11.393 1.00 56.65 ? 197 ASN H CG 1 ATOM 6006 O OD1 . ASN D 1 202 ? 226.007 13.461 12.389 1.00 56.90 ? 197 ASN H OD1 1 ATOM 6007 N ND2 . ASN D 1 202 ? 225.763 13.271 10.163 1.00 52.49 ? 197 ASN H ND2 1 ATOM 6008 N N . VAL D 1 203 ? 220.821 15.151 10.865 1.00 37.29 ? 198 VAL H N 1 ATOM 6009 C CA . VAL D 1 203 ? 219.481 15.502 11.314 1.00 32.54 ? 198 VAL H CA 1 ATOM 6010 C C . VAL D 1 203 ? 218.525 14.378 10.942 1.00 35.01 ? 198 VAL H C 1 ATOM 6011 O O . VAL D 1 203 ? 218.467 13.957 9.779 1.00 44.19 ? 198 VAL H O 1 ATOM 6012 C CB . VAL D 1 203 ? 219.030 16.841 10.705 1.00 44.89 ? 198 VAL H CB 1 ATOM 6013 C CG1 . VAL D 1 203 ? 217.652 17.231 11.217 1.00 43.95 ? 198 VAL H CG1 1 ATOM 6014 C CG2 . VAL D 1 203 ? 220.043 17.918 11.033 1.00 43.42 ? 198 VAL H CG2 1 ATOM 6015 N N . ASN D 1 204 ? 217.772 13.902 11.928 1.00 33.70 ? 199 ASN H N 1 ATOM 6016 C CA . ASN D 1 204 ? 216.789 12.849 11.735 1.00 34.02 ? 199 ASN H CA 1 ATOM 6017 C C . ASN D 1 204 ? 215.440 13.343 12.219 1.00 43.52 ? 199 ASN H C 1 ATOM 6018 O O . ASN D 1 204 ? 215.342 13.941 13.294 1.00 45.56 ? 199 ASN H O 1 ATOM 6019 C CB . ASN D 1 204 ? 217.181 11.571 12.483 1.00 43.66 ? 199 ASN H CB 1 ATOM 6020 C CG . ASN D 1 204 ? 218.378 10.874 11.857 1.00 52.72 ? 199 ASN H CG 1 ATOM 6021 O OD1 . ASN D 1 204 ? 218.234 10.022 10.975 1.00 61.58 ? 199 ASN H OD1 1 ATOM 6022 N ND2 . ASN D 1 204 ? 219.569 11.244 12.303 1.00 44.95 ? 199 ASN H ND2 1 ATOM 6023 N N . HIS D 1 205 ? 214.403 13.092 11.429 1.00 39.93 ? 200 HIS H N 1 ATOM 6024 C CA . HIS D 1 205 ? 213.032 13.426 11.802 1.00 33.82 ? 200 HIS H CA 1 ATOM 6025 C C . HIS D 1 205 ? 212.226 12.169 11.507 1.00 43.21 ? 200 HIS H C 1 ATOM 6026 O O . HIS D 1 205 ? 211.817 11.934 10.367 1.00 42.58 ? 200 HIS H O 1 ATOM 6027 C CB . HIS D 1 205 ? 212.517 14.641 11.041 1.00 33.75 ? 200 HIS H CB 1 ATOM 6028 C CG . HIS D 1 205 ? 211.151 15.077 11.462 1.00 41.24 ? 200 HIS H CG 1 ATOM 6029 N ND1 . HIS D 1 205 ? 210.060 15.018 10.621 1.00 34.68 ? 200 HIS H ND1 1 ATOM 6030 C CD2 . HIS D 1 205 ? 210.694 15.576 12.637 1.00 33.47 ? 200 HIS H CD2 1 ATOM 6031 C CE1 . HIS D 1 205 ? 208.989 15.457 11.260 1.00 34.26 ? 200 HIS H CE1 1 ATOM 6032 N NE2 . HIS D 1 205 ? 209.346 15.800 12.486 1.00 39.66 ? 200 HIS H NE2 1 ATOM 6033 N N . LYS D 1 206 ? 212.037 11.349 12.536 1.00 40.66 ? 201 LYS H N 1 ATOM 6034 C CA . LYS D 1 206 ? 211.344 10.073 12.375 1.00 40.69 ? 201 LYS H CA 1 ATOM 6035 C C . LYS D 1 206 ? 209.954 10.208 11.762 1.00 41.16 ? 201 LYS H C 1 ATOM 6036 O O . LYS D 1 206 ? 209.670 9.495 10.787 1.00 38.93 ? 201 LYS H O 1 ATOM 6037 C CB . LYS D 1 206 ? 211.298 9.363 13.734 1.00 35.91 ? 201 LYS H CB 1 ATOM 6038 C CG . LYS D 1 206 ? 210.503 8.064 13.751 1.00 42.42 ? 201 LYS H CG 1 ATOM 6039 C CD . LYS D 1 206 ? 210.501 7.475 15.154 1.00 47.40 ? 201 LYS H CD 1 ATOM 6040 C CE . LYS D 1 206 ? 209.488 6.362 15.311 1.00 58.22 ? 201 LYS H CE 1 ATOM 6041 N NZ . LYS D 1 206 ? 209.326 5.976 16.743 1.00 64.64 1 201 LYS H NZ 1 ATOM 6042 N N . PRO D 1 207 ? 209.066 11.090 12.237 1.00 39.65 ? 202 PRO H N 1 ATOM 6043 C CA . PRO D 1 207 ? 207.689 11.072 11.707 1.00 37.32 ? 202 PRO H CA 1 ATOM 6044 C C . PRO D 1 207 ? 207.601 11.285 10.206 1.00 47.16 ? 202 PRO H C 1 ATOM 6045 O O . PRO D 1 207 ? 206.666 10.780 9.578 1.00 50.91 ? 202 PRO H O 1 ATOM 6046 C CB . PRO D 1 207 ? 206.994 12.203 12.479 1.00 35.98 ? 202 PRO H CB 1 ATOM 6047 C CG . PRO D 1 207 ? 207.827 12.410 13.708 1.00 37.96 ? 202 PRO H CG 1 ATOM 6048 C CD . PRO D 1 207 ? 209.235 12.142 13.261 1.00 37.92 ? 202 PRO H CD 1 ATOM 6049 N N . SER D 1 208 ? 208.541 12.005 9.602 1.00 50.62 ? 203 SER H N 1 ATOM 6050 C CA . SER D 1 208 ? 208.551 12.196 8.158 1.00 45.58 ? 203 SER H CA 1 ATOM 6051 C C . SER D 1 208 ? 209.601 11.348 7.448 1.00 52.50 ? 203 SER H C 1 ATOM 6052 O O . SER D 1 208 ? 209.757 11.478 6.229 1.00 47.72 ? 203 SER H O 1 ATOM 6053 C CB . SER D 1 208 ? 208.790 13.669 7.827 1.00 44.33 ? 203 SER H CB 1 ATOM 6054 O OG . SER D 1 208 ? 210.083 14.067 8.251 1.00 43.89 ? 203 SER H OG 1 ATOM 6055 N N . ASN D 1 209 ? 210.335 10.505 8.180 1.00 51.32 ? 204 ASN H N 1 ATOM 6056 C CA . ASN D 1 209 ? 211.379 9.659 7.602 1.00 47.98 ? 204 ASN H CA 1 ATOM 6057 C C . ASN D 1 209 ? 212.389 10.503 6.831 1.00 47.58 ? 204 ASN H C 1 ATOM 6058 O O . ASN D 1 209 ? 212.773 10.188 5.703 1.00 50.23 ? 204 ASN H O 1 ATOM 6059 C CB . ASN D 1 209 ? 210.778 8.564 6.713 1.00 44.20 ? 204 ASN H CB 1 ATOM 6060 C CG . ASN D 1 209 ? 211.807 7.536 6.283 1.00 57.57 ? 204 ASN H CG 1 ATOM 6061 O OD1 . ASN D 1 209 ? 212.803 7.313 6.970 1.00 60.02 ? 204 ASN H OD1 1 ATOM 6062 N ND2 . ASN D 1 209 ? 211.583 6.920 5.130 1.00 51.50 ? 204 ASN H ND2 1 ATOM 6063 N N . THR D 1 210 ? 212.803 11.603 7.449 1.00 48.08 ? 205 THR H N 1 ATOM 6064 C CA . THR D 1 210 ? 213.748 12.541 6.863 1.00 45.82 ? 205 THR H CA 1 ATOM 6065 C C . THR D 1 210 ? 215.104 12.374 7.535 1.00 44.48 ? 205 THR H C 1 ATOM 6066 O O . THR D 1 210 ? 215.212 12.453 8.764 1.00 44.84 ? 205 THR H O 1 ATOM 6067 C CB . THR D 1 210 ? 213.255 13.981 7.029 1.00 57.21 ? 205 THR H CB 1 ATOM 6068 O OG1 . THR D 1 210 ? 212.094 14.192 6.216 1.00 68.27 ? 205 THR H OG1 1 ATOM 6069 C CG2 . THR D 1 210 ? 214.346 14.978 6.644 1.00 46.79 ? 205 THR H CG2 1 ATOM 6070 N N . LYS D 1 211 ? 216.130 12.142 6.730 1.00 42.01 ? 206 LYS H N 1 ATOM 6071 C CA . LYS D 1 211 ? 217.500 12.057 7.208 1.00 43.19 ? 206 LYS H CA 1 ATOM 6072 C C . LYS D 1 211 ? 218.355 12.941 6.314 1.00 53.43 ? 206 LYS H C 1 ATOM 6073 O O . LYS D 1 211 ? 218.379 12.752 5.093 1.00 51.56 ? 206 LYS H O 1 ATOM 6074 C CB . LYS D 1 211 ? 217.993 10.608 7.198 1.00 45.32 ? 206 LYS H CB 1 ATOM 6075 C CG . LYS D 1 211 ? 219.382 10.405 7.763 1.00 52.63 ? 206 LYS H CG 1 ATOM 6076 C CD . LYS D 1 211 ? 219.786 8.947 7.637 1.00 63.85 ? 206 LYS H CD 1 ATOM 6077 C CE . LYS D 1 211 ? 221.265 8.779 7.890 1.00 79.27 ? 206 LYS H CE 1 ATOM 6078 N NZ . LYS D 1 211 ? 222.067 9.730 7.062 1.00 91.09 1 206 LYS H NZ 1 ATOM 6079 N N . VAL D 1 212 ? 219.017 13.925 6.914 1.00 51.27 ? 207 VAL H N 1 ATOM 6080 C CA . VAL D 1 212 ? 219.888 14.849 6.198 1.00 54.94 ? 207 VAL H CA 1 ATOM 6081 C C . VAL D 1 212 ? 221.252 14.836 6.868 1.00 60.43 ? 207 VAL H C 1 ATOM 6082 O O . VAL D 1 212 ? 221.349 14.879 8.101 1.00 61.88 ? 207 VAL H O 1 ATOM 6083 C CB . VAL D 1 212 ? 219.332 16.291 6.188 1.00 49.35 ? 207 VAL H CB 1 ATOM 6084 C CG1 . VAL D 1 212 ? 220.216 17.193 5.324 1.00 46.64 ? 207 VAL H CG1 1 ATOM 6085 C CG2 . VAL D 1 212 ? 217.897 16.326 5.716 1.00 42.96 ? 207 VAL H CG2 1 ATOM 6086 N N . ASP D 1 213 ? 222.307 14.799 6.059 1.00 58.74 ? 208 ASP H N 1 ATOM 6087 C CA . ASP D 1 213 ? 223.674 14.984 6.537 1.00 49.93 ? 208 ASP H CA 1 ATOM 6088 C C . ASP D 1 213 ? 224.251 16.176 5.784 1.00 54.15 ? 208 ASP H C 1 ATOM 6089 O O . ASP D 1 213 ? 224.581 16.062 4.601 1.00 61.07 ? 208 ASP H O 1 ATOM 6090 C CB . ASP D 1 213 ? 224.512 13.716 6.341 1.00 42.65 ? 208 ASP H CB 1 ATOM 6091 C CG . ASP D 1 213 ? 224.049 12.552 7.232 1.00 77.06 ? 208 ASP H CG 1 ATOM 6092 O OD1 . ASP D 1 213 ? 223.588 12.808 8.366 1.00 85.22 ? 208 ASP H OD1 1 ATOM 6093 O OD2 . ASP D 1 213 ? 224.146 11.378 6.806 1.00 88.94 -1 208 ASP H OD2 1 ATOM 6094 N N . LYS D 1 214 ? 224.354 17.321 6.460 1.00 45.15 ? 209 LYS H N 1 ATOM 6095 C CA . LYS D 1 214 ? 224.747 18.584 5.838 1.00 47.75 ? 209 LYS H CA 1 ATOM 6096 C C . LYS D 1 214 ? 226.147 18.982 6.294 1.00 55.47 ? 209 LYS H C 1 ATOM 6097 O O . LYS D 1 214 ? 226.397 19.137 7.498 1.00 49.20 ? 209 LYS H O 1 ATOM 6098 C CB . LYS D 1 214 ? 223.742 19.692 6.175 1.00 50.88 ? 209 LYS H CB 1 ATOM 6099 C CG . LYS D 1 214 ? 224.094 21.066 5.617 1.00 53.56 ? 209 LYS H CG 1 ATOM 6100 C CD . LYS D 1 214 ? 223.800 21.173 4.127 1.00 58.23 ? 209 LYS H CD 1 ATOM 6101 C CE . LYS D 1 214 ? 222.306 21.125 3.857 1.00 78.01 ? 209 LYS H CE 1 ATOM 6102 N NZ . LYS D 1 214 ? 221.980 21.338 2.419 1.00 96.65 1 209 LYS H NZ 1 ATOM 6103 N N . LYS D 1 215 ? 227.048 19.164 5.328 1.00 53.49 ? 210 LYS H N 1 ATOM 6104 C CA . LYS D 1 215 ? 228.395 19.644 5.604 1.00 49.63 ? 210 LYS H CA 1 ATOM 6105 C C . LYS D 1 215 ? 228.384 21.163 5.720 1.00 55.33 ? 210 LYS H C 1 ATOM 6106 O O . LYS D 1 215 ? 227.817 21.852 4.868 1.00 55.44 ? 210 LYS H O 1 ATOM 6107 C CB . LYS D 1 215 ? 229.360 19.201 4.501 1.00 45.69 ? 210 LYS H CB 1 ATOM 6108 C CG . LYS D 1 215 ? 230.778 19.763 4.636 1.00 57.26 ? 210 LYS H CG 1 ATOM 6109 C CD . LYS D 1 215 ? 231.674 19.356 3.463 1.00 61.45 ? 210 LYS H CD 1 ATOM 6110 N N . VAL D 1 216 ? 229.001 21.682 6.779 1.00 54.81 ? 211 VAL H N 1 ATOM 6111 C CA . VAL D 1 216 ? 229.061 23.116 7.041 1.00 54.58 ? 211 VAL H CA 1 ATOM 6112 C C . VAL D 1 216 ? 230.474 23.588 6.706 1.00 58.91 ? 211 VAL H C 1 ATOM 6113 O O . VAL D 1 216 ? 231.435 23.252 7.406 1.00 62.19 ? 211 VAL H O 1 ATOM 6114 C CB . VAL D 1 216 ? 228.676 23.434 8.492 1.00 54.12 ? 211 VAL H CB 1 ATOM 6115 C CG1 . VAL D 1 216 ? 228.770 24.922 8.774 1.00 51.64 ? 211 VAL H CG1 1 ATOM 6116 C CG2 . VAL D 1 216 ? 227.272 22.935 8.775 1.00 51.39 ? 211 VAL H CG2 1 ATOM 6117 N N . GLU D 1 217 ? 230.609 24.367 5.598 1.00 69.20 ? 212 GLU H N 1 ATOM 6118 C CA . GLU D 1 217 ? 231.876 24.850 5.067 1.00 68.07 ? 212 GLU H CA 1 ATOM 6119 C C . GLU D 1 217 ? 232.086 26.322 5.416 1.00 70.54 ? 212 GLU H C 1 ATOM 6120 O O . GLU D 1 217 ? 231.119 27.081 5.536 1.00 59.43 ? 212 GLU H O 1 ATOM 6121 C CB . GLU D 1 217 ? 231.928 24.675 3.543 1.00 64.63 ? 212 GLU H CB 1 ATOM 6122 C CG . GLU D 1 217 ? 232.093 23.233 3.074 1.00 65.65 ? 212 GLU H CG 1 ATOM 6123 N N . PRO D 1 218 ? 233.340 26.751 5.575 1.00 78.35 ? 213 PRO H N 1 ATOM 6124 C CA . PRO D 1 218 ? 233.606 28.132 6.000 1.00 81.30 ? 213 PRO H CA 1 ATOM 6125 C C . PRO D 1 218 ? 233.206 29.163 4.952 1.00 91.81 ? 213 PRO H C 1 ATOM 6126 O O . PRO D 1 218 ? 233.129 28.872 3.754 1.00 73.18 ? 213 PRO H O 1 ATOM 6127 C CB . PRO D 1 218 ? 235.123 28.149 6.234 1.00 70.00 ? 213 PRO H CB 1 ATOM 6128 C CG . PRO D 1 218 ? 235.523 26.701 6.359 1.00 63.82 ? 213 PRO H CG 1 ATOM 6129 C CD . PRO D 1 218 ? 234.575 25.951 5.484 1.00 72.14 ? 213 PRO H CD 1 ATOM 6130 N N A LYS D 1 219 ? 232.996 30.391 5.425 0.08 99.15 ? 214 LYS H N 1 ATOM 6131 N N B LYS D 1 219 ? 232.978 30.386 5.428 0.08 99.14 ? 214 LYS H N 1 ATOM 6132 N N C LYS D 1 219 ? 232.938 30.377 5.434 0.33 99.47 ? 214 LYS H N 1 ATOM 6133 N N D LYS D 1 219 ? 232.927 30.376 5.439 0.50 99.70 ? 214 LYS H N 1 ATOM 6134 C CA A LYS D 1 219 ? 232.659 31.534 4.575 0.08 100.04 ? 214 LYS H CA 1 ATOM 6135 C CA B LYS D 1 219 ? 232.616 31.524 4.583 0.08 100.09 ? 214 LYS H CA 1 ATOM 6136 C CA C LYS D 1 219 ? 232.526 31.509 4.603 0.33 99.95 ? 214 LYS H CA 1 ATOM 6137 C CA D LYS D 1 219 ? 232.396 31.520 4.673 0.50 99.98 ? 214 LYS H CA 1 ATOM 6138 C C A LYS D 1 219 ? 231.357 31.303 3.813 0.08 100.46 ? 214 LYS H C 1 ATOM 6139 C C B LYS D 1 219 ? 231.341 31.252 3.788 0.08 100.45 ? 214 LYS H C 1 ATOM 6140 C C C LYS D 1 219 ? 231.350 31.165 3.689 0.33 100.55 ? 214 LYS H C 1 ATOM 6141 C C D LYS D 1 219 ? 231.750 31.186 3.327 0.50 101.07 ? 214 LYS H C 1 ATOM 6142 O O A LYS D 1 219 ? 230.483 32.169 3.781 0.08 101.66 ? 214 LYS H O 1 ATOM 6143 O O B LYS D 1 219 ? 230.505 32.140 3.614 0.08 101.75 ? 214 LYS H O 1 ATOM 6144 O O C LYS D 1 219 ? 230.307 31.819 3.729 0.33 101.23 ? 214 LYS H O 1 ATOM 6145 O O D LYS D 1 219 ? 230.846 31.888 2.871 0.50 102.26 ? 214 LYS H O 1 ATOM 6146 C CB A LYS D 1 219 ? 233.797 31.836 3.592 0.08 100.14 ? 214 LYS H CB 1 ATOM 6147 C CB B LYS D 1 219 ? 233.763 31.879 3.630 0.08 100.12 ? 214 LYS H CB 1 ATOM 6148 C CB C LYS D 1 219 ? 233.715 32.022 3.780 0.33 100.39 ? 214 LYS H CB 1 ATOM 6149 C CB D LYS D 1 219 ? 233.503 32.559 4.449 0.50 100.29 ? 214 LYS H CB 1 ATOM 6150 C CG A LYS D 1 219 ? 235.143 32.111 4.249 0.08 100.68 ? 214 LYS H CG 1 ATOM 6151 C CG B LYS D 1 219 ? 235.109 32.078 4.314 0.08 100.64 ? 214 LYS H CG 1 ATOM 6152 C CG C LYS D 1 219 ? 233.351 32.550 2.403 0.33 97.94 ? 214 LYS H CG 1 ATOM 6153 C CG D LYS D 1 219 ? 234.717 32.057 3.681 0.50 100.67 ? 214 LYS H CG 1 ATOM 6154 C CD A LYS D 1 219 ? 235.226 33.530 4.792 0.08 99.93 ? 214 LYS H CD 1 ATOM 6155 C CD B LYS D 1 219 ? 235.109 33.305 5.213 0.08 99.59 ? 214 LYS H CD 1 ATOM 6156 C CD C LYS D 1 219 ? 233.685 31.524 1.335 0.33 84.62 ? 214 LYS H CD 1 ATOM 6157 C CD D LYS D 1 219 ? 235.768 33.151 3.551 0.50 100.26 ? 214 LYS H CD 1 ATOM 6158 C CE A LYS D 1 219 ? 235.198 34.553 3.666 0.08 99.30 ? 214 LYS H CE 1 ATOM 6159 C CE B LYS D 1 219 ? 235.019 34.587 4.400 0.08 99.06 ? 214 LYS H CE 1 ATOM 6160 C CE C LYS D 1 219 ? 232.961 31.821 0.041 0.33 79.26 ? 214 LYS H CE 1 ATOM 6161 C CE D LYS D 1 219 ? 236.028 33.825 4.891 0.50 99.49 ? 214 LYS H CE 1 ATOM 6162 N NZ A LYS D 1 219 ? 235.348 35.945 4.172 0.08 98.71 1 214 LYS H NZ 1 ATOM 6163 N NZ B LYS D 1 219 ? 236.174 34.739 3.473 0.08 99.36 1 214 LYS H NZ 1 ATOM 6164 N NZ C LYS D 1 219 ? 233.171 30.731 -0.947 0.33 78.71 1 214 LYS H NZ 1 ATOM 6165 N NZ D LYS D 1 219 ? 236.282 32.830 5.971 0.50 98.29 1 214 LYS H NZ 1 ATOM 6166 N N . ASP E 3 1 ? 208.891 59.761 -32.182 1.00 123.73 ? 1 ASP I N 1 ATOM 6167 C CA . ASP E 3 1 ? 207.850 60.779 -32.124 1.00 125.10 ? 1 ASP I CA 1 ATOM 6168 C C . ASP E 3 1 ? 208.448 62.128 -31.721 1.00 119.13 ? 1 ASP I C 1 ATOM 6169 O O . ASP E 3 1 ? 209.554 62.474 -32.138 1.00 116.11 ? 1 ASP I O 1 ATOM 6170 C CB . ASP E 3 1 ? 206.745 60.362 -31.146 1.00 127.89 ? 1 ASP I CB 1 ATOM 6171 C CG . ASP E 3 1 ? 205.426 61.070 -31.412 1.00 130.91 ? 1 ASP I CG 1 ATOM 6172 O OD1 . ASP E 3 1 ? 205.185 61.474 -32.570 1.00 135.70 ? 1 ASP I OD1 1 ATOM 6173 O OD2 . ASP E 3 1 ? 204.634 61.225 -30.457 1.00 127.32 -1 1 ASP I OD2 1 ATOM 6174 N N . THR E 3 2 ? 207.717 62.878 -30.898 1.00 109.67 ? 2 THR I N 1 ATOM 6175 C CA . THR E 3 2 ? 208.098 64.240 -30.550 1.00 93.62 ? 2 THR I CA 1 ATOM 6176 C C . THR E 3 2 ? 207.613 64.562 -29.145 1.00 85.79 ? 2 THR I C 1 ATOM 6177 O O . THR E 3 2 ? 206.426 64.409 -28.843 1.00 82.69 ? 2 THR I O 1 ATOM 6178 C CB . THR E 3 2 ? 207.517 65.243 -31.555 1.00 90.20 ? 2 THR I CB 1 ATOM 6179 O OG1 . THR E 3 2 ? 208.221 65.145 -32.800 1.00 83.29 ? 2 THR I OG1 1 ATOM 6180 C CG2 . THR E 3 2 ? 207.630 66.660 -31.022 1.00 90.29 ? 2 THR I CG2 1 ATOM 6181 N N . ILE E 3 3 ? 208.535 65.002 -28.295 1.00 78.86 ? 3 ILE I N 1 ATOM 6182 C CA . ILE E 3 3 ? 208.208 65.487 -26.959 1.00 72.73 ? 3 ILE I CA 1 ATOM 6183 C C . ILE E 3 3 ? 208.068 67.002 -27.027 1.00 75.62 ? 3 ILE I C 1 ATOM 6184 O O . ILE E 3 3 ? 209.049 67.711 -27.278 1.00 78.64 ? 3 ILE I O 1 ATOM 6185 C CB . ILE E 3 3 ? 209.286 65.089 -25.941 1.00 69.54 ? 3 ILE I CB 1 ATOM 6186 C CG1 . ILE E 3 3 ? 209.549 63.586 -25.990 1.00 71.43 ? 3 ILE I CG1 1 ATOM 6187 C CG2 . ILE E 3 3 ? 208.874 65.515 -24.545 1.00 72.68 ? 3 ILE I CG2 1 ATOM 6188 C CD1 . ILE E 3 3 ? 210.586 63.131 -24.989 1.00 66.44 ? 3 ILE I CD1 1 ATOM 6189 N N . THR E 3 4 ? 206.860 67.503 -26.793 1.00 70.00 ? 4 THR I N 1 ATOM 6190 C CA . THR E 3 4 ? 206.594 68.933 -26.844 1.00 72.58 ? 4 THR I CA 1 ATOM 6191 C C . THR E 3 4 ? 206.516 69.490 -25.431 1.00 76.97 ? 4 THR I C 1 ATOM 6192 O O . THR E 3 4 ? 205.775 68.971 -24.590 1.00 90.89 ? 4 THR I O 1 ATOM 6193 C CB . THR E 3 4 ? 205.298 69.231 -27.597 1.00 77.43 ? 4 THR I CB 1 ATOM 6194 O OG1 . THR E 3 4 ? 204.187 68.728 -26.846 1.00 92.21 ? 4 THR I OG1 1 ATOM 6195 C CG2 . THR E 3 4 ? 205.318 68.573 -28.965 1.00 64.07 ? 4 THR I CG2 1 ATOM 6196 N N . LEU E 3 5 ? 207.282 70.547 -25.177 1.00 74.26 ? 5 LEU I N 1 ATOM 6197 C CA . LEU E 3 5 ? 207.329 71.192 -23.875 1.00 64.63 ? 5 LEU I CA 1 ATOM 6198 C C . LEU E 3 5 ? 206.568 72.505 -23.937 1.00 63.98 ? 5 LEU I C 1 ATOM 6199 O O . LEU E 3 5 ? 206.881 73.351 -24.787 1.00 63.40 ? 5 LEU I O 1 ATOM 6200 C CB . LEU E 3 5 ? 208.775 71.437 -23.452 1.00 59.48 ? 5 LEU I CB 1 ATOM 6201 C CG . LEU E 3 5 ? 209.660 70.193 -23.465 1.00 62.35 ? 5 LEU I CG 1 ATOM 6202 C CD1 . LEU E 3 5 ? 211.043 70.520 -22.936 1.00 57.68 ? 5 LEU I CD1 1 ATOM 6203 C CD2 . LEU E 3 5 ? 209.010 69.083 -22.653 1.00 66.70 ? 5 LEU I CD2 1 ATOM 6204 N N . PRO E 3 6 ? 205.571 72.724 -23.084 1.00 59.42 ? 6 PRO I N 1 ATOM 6205 C CA . PRO E 3 6 ? 204.896 74.030 -23.069 1.00 50.67 ? 6 PRO I CA 1 ATOM 6206 C C . PRO E 3 6 ? 205.799 75.099 -22.466 1.00 56.15 ? 6 PRO I C 1 ATOM 6207 O O . PRO E 3 6 ? 206.425 74.892 -21.423 1.00 56.93 ? 6 PRO I O 1 ATOM 6208 C CB . PRO E 3 6 ? 203.655 73.777 -22.207 1.00 47.07 ? 6 PRO I CB 1 ATOM 6209 C CG . PRO E 3 6 ? 204.040 72.632 -21.333 1.00 51.79 ? 6 PRO I CG 1 ATOM 6210 C CD . PRO E 3 6 ? 204.949 71.762 -22.160 1.00 51.69 ? 6 PRO I CD 1 ATOM 6211 N N . CYS E 3 7 ? 205.871 76.245 -23.139 1.00 60.66 ? 7 CYS I N 1 ATOM 6212 C CA . CYS E 3 7 ? 206.728 77.348 -22.735 1.00 59.16 ? 7 CYS I CA 1 ATOM 6213 C C . CYS E 3 7 ? 205.906 78.615 -22.587 1.00 60.68 ? 7 CYS I C 1 ATOM 6214 O O . CYS E 3 7 ? 205.018 78.890 -23.401 1.00 64.16 ? 7 CYS I O 1 ATOM 6215 C CB . CYS E 3 7 ? 207.848 77.615 -23.748 1.00 63.63 ? 7 CYS I CB 1 ATOM 6216 S SG . CYS E 3 7 ? 209.016 76.275 -24.021 1.00 86.27 ? 7 CYS I SG 1 ATOM 6217 N N . ARG E 3 8 ? 206.223 79.393 -21.560 1.00 53.01 ? 8 ARG I N 1 ATOM 6218 C CA . ARG E 3 8 ? 205.633 80.709 -21.396 1.00 57.10 ? 8 ARG I CA 1 ATOM 6219 C C . ARG E 3 8 ? 206.731 81.728 -21.117 1.00 59.98 ? 8 ARG I C 1 ATOM 6220 O O . ARG E 3 8 ? 207.499 81.571 -20.175 1.00 67.82 ? 8 ARG I O 1 ATOM 6221 C CB . ARG E 3 8 ? 204.596 80.710 -20.272 1.00 58.10 ? 8 ARG I CB 1 ATOM 6222 C CG . ARG E 3 8 ? 203.793 82.000 -20.188 1.00 67.21 ? 8 ARG I CG 1 ATOM 6223 C CD . ARG E 3 8 ? 202.727 81.936 -19.107 1.00 80.29 ? 8 ARG I CD 1 ATOM 6224 N NE . ARG E 3 8 ? 203.300 81.766 -17.776 1.00 82.74 ? 8 ARG I NE 1 ATOM 6225 C CZ . ARG E 3 8 ? 202.588 81.761 -16.655 1.00 76.08 ? 8 ARG I CZ 1 ATOM 6226 N NH1 . ARG E 3 8 ? 201.272 81.916 -16.707 1.00 76.53 1 8 ARG I NH1 1 ATOM 6227 N NH2 . ARG E 3 8 ? 203.192 81.604 -15.485 1.00 71.50 ? 8 ARG I NH2 1 ATOM 6228 N N . PRO E 3 9 ? 206.822 82.769 -21.954 1.00 65.42 ? 9 PRO I N 1 ATOM 6229 C CA . PRO E 3 9 ? 206.000 82.945 -23.158 1.00 61.36 ? 9 PRO I CA 1 ATOM 6230 C C . PRO E 3 9 ? 206.486 82.113 -24.346 1.00 70.97 ? 9 PRO I C 1 ATOM 6231 O O . PRO E 3 9 ? 207.355 81.255 -24.189 1.00 69.58 ? 9 PRO I O 1 ATOM 6232 C CB . PRO E 3 9 ? 206.135 84.437 -23.452 1.00 55.70 ? 9 PRO I CB 1 ATOM 6233 C CG . PRO E 3 9 ? 207.466 84.800 -22.894 1.00 52.75 ? 9 PRO I CG 1 ATOM 6234 C CD . PRO E 3 9 ? 207.651 83.953 -21.672 1.00 53.93 ? 9 PRO I CD 1 ATOM 6235 N N . ALA E 3 10 ? 205.918 82.367 -25.515 1.00 80.02 ? 10 ALA I N 1 ATOM 6236 C CA . ALA E 3 10 ? 206.265 81.606 -26.711 1.00 80.54 ? 10 ALA I CA 1 ATOM 6237 C C . ALA E 3 10 ? 207.653 81.997 -27.205 1.00 73.97 ? 10 ALA I C 1 ATOM 6238 O O . ALA E 3 10 ? 207.862 83.157 -27.581 1.00 76.85 ? 10 ALA I O 1 ATOM 6239 C CB . ALA E 3 10 ? 205.224 81.843 -27.803 1.00 79.77 ? 10 ALA I CB 1 ATOM 6240 N N . PRO E 3 11 ? 208.617 81.084 -27.226 1.00 61.38 ? 11 PRO I N 1 ATOM 6241 C CA . PRO E 3 11 ? 209.949 81.420 -27.738 1.00 60.99 ? 11 PRO I CA 1 ATOM 6242 C C . PRO E 3 11 ? 209.935 81.539 -29.251 1.00 74.14 ? 11 PRO I C 1 ATOM 6243 O O . PRO E 3 11 ? 209.358 80.687 -29.945 1.00 79.99 ? 11 PRO I O 1 ATOM 6244 C CB . PRO E 3 11 ? 210.817 80.234 -27.285 1.00 59.56 ? 11 PRO I CB 1 ATOM 6245 C CG . PRO E 3 11 ? 209.961 79.451 -26.311 1.00 54.46 ? 11 PRO I CG 1 ATOM 6246 C CD . PRO E 3 11 ? 208.554 79.707 -26.714 1.00 54.96 ? 11 PRO I CD 1 ATOM 6247 N N . PRO E 3 12 ? 210.561 82.577 -29.802 1.00 71.69 ? 12 PRO I N 1 ATOM 6248 C CA . PRO E 3 12 ? 210.641 82.713 -31.261 1.00 76.18 ? 12 PRO I CA 1 ATOM 6249 C C . PRO E 3 12 ? 211.442 81.577 -31.872 1.00 80.17 ? 12 PRO I C 1 ATOM 6250 O O . PRO E 3 12 ? 212.215 80.902 -31.173 1.00 73.24 ? 12 PRO I O 1 ATOM 6251 C CB . PRO E 3 12 ? 211.353 84.063 -31.457 1.00 73.82 ? 12 PRO I CB 1 ATOM 6252 C CG . PRO E 3 12 ? 211.199 84.779 -30.161 1.00 75.36 ? 12 PRO I CG 1 ATOM 6253 C CD . PRO E 3 12 ? 211.176 83.718 -29.104 1.00 67.35 ? 12 PRO I CD 1 ATOM 6254 N N . PRO E 3 13 ? 211.288 81.337 -33.177 1.00 79.95 ? 13 PRO I N 1 ATOM 6255 C CA . PRO E 3 13 ? 212.021 80.227 -33.811 1.00 78.66 ? 13 PRO I CA 1 ATOM 6256 C C . PRO E 3 13 ? 213.534 80.351 -33.719 1.00 76.62 ? 13 PRO I C 1 ATOM 6257 O O . PRO E 3 13 ? 214.222 79.324 -33.661 1.00 70.79 ? 13 PRO I O 1 ATOM 6258 C CB . PRO E 3 13 ? 211.540 80.284 -35.269 1.00 77.84 ? 13 PRO I CB 1 ATOM 6259 C CG . PRO E 3 13 ? 210.204 80.955 -35.196 1.00 75.20 ? 13 PRO I CG 1 ATOM 6260 C CD . PRO E 3 13 ? 210.327 81.967 -34.098 1.00 74.81 ? 13 PRO I CD 1 ATOM 6261 N N . HIS E 3 14 ? 214.075 81.571 -33.699 1.00 77.40 ? 14 HIS I N 1 ATOM 6262 C CA . HIS E 3 14 ? 215.519 81.763 -33.623 1.00 81.51 ? 14 HIS I CA 1 ATOM 6263 C C . HIS E 3 14 ? 216.089 81.445 -32.247 1.00 83.04 ? 14 HIS I C 1 ATOM 6264 O O . HIS E 3 14 ? 217.312 81.496 -32.077 1.00 88.30 ? 14 HIS I O 1 ATOM 6265 C CB . HIS E 3 14 ? 215.895 83.197 -34.033 1.00 89.84 ? 14 HIS I CB 1 ATOM 6266 C CG . HIS E 3 14 ? 215.841 84.195 -32.915 1.00 98.30 ? 14 HIS I CG 1 ATOM 6267 N ND1 . HIS E 3 14 ? 214.675 84.822 -32.528 1.00 99.95 ? 14 HIS I ND1 1 ATOM 6268 C CD2 . HIS E 3 14 ? 216.817 84.697 -32.120 1.00 101.01 ? 14 HIS I CD2 1 ATOM 6269 C CE1 . HIS E 3 14 ? 214.932 85.654 -31.534 1.00 95.91 ? 14 HIS I CE1 1 ATOM 6270 N NE2 . HIS E 3 14 ? 216.225 85.597 -31.267 1.00 97.98 ? 14 HIS I NE2 1 ATOM 6271 N N . CYS E 3 15 ? 215.248 81.122 -31.267 1.00 80.01 ? 15 CYS I N 1 ATOM 6272 C CA . CYS E 3 15 ? 215.718 80.679 -29.963 1.00 80.37 ? 15 CYS I CA 1 ATOM 6273 C C . CYS E 3 15 ? 215.925 79.171 -29.899 1.00 72.38 ? 15 CYS I C 1 ATOM 6274 O O . CYS E 3 15 ? 216.227 78.644 -28.824 1.00 64.24 ? 15 CYS I O 1 ATOM 6275 C CB . CYS E 3 15 ? 214.746 81.124 -28.866 1.00 91.52 ? 15 CYS I CB 1 ATOM 6276 S SG . CYS E 3 15 ? 214.745 82.911 -28.585 1.00 113.13 ? 15 CYS I SG 1 ATOM 6277 N N . SER E 3 16 ? 215.766 78.470 -31.020 1.00 75.11 ? 16 SER I N 1 ATOM 6278 C CA . SER E 3 16 ? 216.111 77.056 -31.067 1.00 65.33 ? 16 SER I CA 1 ATOM 6279 C C . SER E 3 16 ? 217.592 76.883 -30.763 1.00 60.87 ? 16 SER I C 1 ATOM 6280 O O . SER E 3 16 ? 218.439 77.608 -31.293 1.00 65.78 ? 16 SER I O 1 ATOM 6281 C CB . SER E 3 16 ? 215.773 76.465 -32.436 1.00 65.74 ? 16 SER I CB 1 ATOM 6282 O OG . SER E 3 16 ? 214.385 76.564 -32.705 1.00 73.17 ? 16 SER I OG 1 ATOM 6283 N N . SER E 3 17 ? 217.901 75.925 -29.896 1.00 58.81 ? 17 SER I N 1 ATOM 6284 C CA . SER E 3 17 ? 219.254 75.726 -29.407 1.00 65.51 ? 17 SER I CA 1 ATOM 6285 C C . SER E 3 17 ? 219.616 74.254 -29.517 1.00 62.91 ? 17 SER I C 1 ATOM 6286 O O . SER E 3 17 ? 218.803 73.416 -29.920 1.00 66.31 ? 17 SER I O 1 ATOM 6287 C CB . SER E 3 17 ? 219.396 76.199 -27.955 1.00 68.14 ? 17 SER I CB 1 ATOM 6288 O OG . SER E 3 17 ? 218.833 77.486 -27.769 1.00 71.80 ? 17 SER I OG 1 ATOM 6289 N N . ASN E 3 18 ? 220.855 73.941 -29.158 1.00 61.10 ? 18 ASN I N 1 ATOM 6290 C CA . ASN E 3 18 ? 221.295 72.566 -28.992 1.00 61.40 ? 18 ASN I CA 1 ATOM 6291 C C . ASN E 3 18 ? 221.486 72.293 -27.508 1.00 57.00 ? 18 ASN I C 1 ATOM 6292 O O . ASN E 3 18 ? 222.081 73.108 -26.792 1.00 54.63 ? 18 ASN I O 1 ATOM 6293 C CB . ASN E 3 18 ? 222.586 72.297 -29.769 1.00 53.69 ? 18 ASN I CB 1 ATOM 6294 C CG . ASN E 3 18 ? 222.355 72.214 -31.268 1.00 54.24 ? 18 ASN I CG 1 ATOM 6295 N ND2 . ASN E 3 18 ? 223.408 72.483 -32.028 1.00 77.40 ? 18 ASN I ND2 1 ATOM 6296 N N . ILE E 3 19 ? 220.938 71.177 -27.041 1.00 58.29 ? 19 ILE I N 1 ATOM 6297 C CA . ILE E 3 19 ? 221.187 70.726 -25.678 1.00 51.11 ? 19 ILE I CA 1 ATOM 6298 C C . ILE E 3 19 ? 222.561 70.071 -25.647 1.00 52.45 ? 19 ILE I C 1 ATOM 6299 O O . ILE E 3 19 ? 222.806 69.076 -26.336 1.00 48.19 ? 19 ILE I O 1 ATOM 6300 C CB . ILE E 3 19 ? 220.093 69.767 -25.197 1.00 44.20 ? 19 ILE I CB 1 ATOM 6301 C CG1 . ILE E 3 19 ? 218.741 70.475 -25.212 1.00 48.36 ? 19 ILE I CG1 1 ATOM 6302 C CG2 . ILE E 3 19 ? 220.384 69.289 -23.789 1.00 40.49 ? 19 ILE I CG2 1 ATOM 6303 C CD1 . ILE E 3 19 ? 217.574 69.535 -25.042 1.00 45.34 ? 19 ILE I CD1 1 ATOM 6304 N N . THR E 3 20 ? 223.474 70.660 -24.880 1.00 52.64 ? 20 THR I N 1 ATOM 6305 C CA . THR E 3 20 ? 224.833 70.165 -24.748 1.00 51.69 ? 20 THR I CA 1 ATOM 6306 C C . THR E 3 20 ? 225.082 69.476 -23.414 1.00 43.88 ? 20 THR I C 1 ATOM 6307 O O . THR E 3 20 ? 226.111 68.814 -23.257 1.00 49.97 ? 20 THR I O 1 ATOM 6308 C CB . THR E 3 20 ? 225.828 71.321 -24.931 1.00 57.06 ? 20 THR I CB 1 ATOM 6309 O OG1 . THR E 3 20 ? 225.590 72.326 -23.935 1.00 60.88 ? 20 THR I OG1 1 ATOM 6310 C CG2 . THR E 3 20 ? 225.662 71.945 -26.316 1.00 49.39 ? 20 THR I CG2 1 ATOM 6311 N N . GLY E 3 21 ? 224.169 69.606 -22.463 1.00 49.14 ? 21 GLY I N 1 ATOM 6312 C CA . GLY E 3 21 ? 224.336 68.952 -21.181 1.00 44.33 ? 21 GLY I CA 1 ATOM 6313 C C . GLY E 3 21 ? 223.160 69.252 -20.280 1.00 49.22 ? 21 GLY I C 1 ATOM 6314 O O . GLY E 3 21 ? 222.248 70.008 -20.634 1.00 45.63 ? 21 GLY I O 1 ATOM 6315 N N . LEU E 3 22 ? 223.189 68.642 -19.098 1.00 49.81 ? 22 LEU I N 1 ATOM 6316 C CA . LEU E 3 22 ? 222.173 68.908 -18.092 1.00 50.64 ? 22 LEU I CA 1 ATOM 6317 C C . LEU E 3 22 ? 222.788 68.731 -16.712 1.00 48.87 ? 22 LEU I C 1 ATOM 6318 O O . LEU E 3 22 ? 223.929 68.277 -16.572 1.00 45.23 ? 22 LEU I O 1 ATOM 6319 C CB . LEU E 3 22 ? 220.941 68.017 -18.291 1.00 57.58 ? 22 LEU I CB 1 ATOM 6320 C CG . LEU E 3 22 ? 221.093 66.559 -18.719 1.00 59.62 ? 22 LEU I CG 1 ATOM 6321 C CD1 . LEU E 3 22 ? 221.509 65.710 -17.552 1.00 64.62 ? 22 LEU I CD1 1 ATOM 6322 C CD2 . LEU E 3 22 ? 219.785 66.053 -19.282 1.00 54.46 ? 22 LEU I CD2 1 ATOM 6323 N N . ILE E 3 23 ? 222.017 69.101 -15.687 1.00 39.70 ? 23 ILE I N 1 ATOM 6324 C CA . ILE E 3 23 ? 222.496 69.104 -14.310 1.00 42.55 ? 23 ILE I CA 1 ATOM 6325 C C . ILE E 3 23 ? 221.436 68.452 -13.432 1.00 40.74 ? 23 ILE I C 1 ATOM 6326 O O . ILE E 3 23 ? 220.262 68.833 -13.473 1.00 37.93 ? 23 ILE I O 1 ATOM 6327 C CB . ILE E 3 23 ? 222.849 70.531 -13.831 1.00 40.90 ? 23 ILE I CB 1 ATOM 6328 C CG1 . ILE E 3 23 ? 223.453 70.513 -12.430 1.00 45.98 ? 23 ILE I CG1 1 ATOM 6329 C CG2 . ILE E 3 23 ? 221.650 71.463 -13.891 1.00 46.65 ? 23 ILE I CG2 1 ATOM 6330 C CD1 . ILE E 3 23 ? 223.875 71.891 -11.946 1.00 42.35 ? 23 ILE I CD1 1 ATOM 6331 N N . LEU E 3 24 ? 221.848 67.447 -12.661 1.00 40.18 ? 24 LEU I N 1 ATOM 6332 C CA . LEU E 3 24 ? 220.934 66.575 -11.941 1.00 38.81 ? 24 LEU I CA 1 ATOM 6333 C C . LEU E 3 24 ? 221.230 66.576 -10.450 1.00 43.97 ? 24 LEU I C 1 ATOM 6334 O O . LEU E 3 24 ? 222.347 66.863 -10.010 1.00 50.28 ? 24 LEU I O 1 ATOM 6335 C CB . LEU E 3 24 ? 221.025 65.131 -12.445 1.00 36.57 ? 24 LEU I CB 1 ATOM 6336 C CG . LEU E 3 24 ? 220.861 64.919 -13.947 1.00 40.18 ? 24 LEU I CG 1 ATOM 6337 C CD1 . LEU E 3 24 ? 221.407 63.558 -14.336 1.00 37.18 ? 24 LEU I CD1 1 ATOM 6338 C CD2 . LEU E 3 24 ? 219.396 65.040 -14.322 1.00 40.56 ? 24 LEU I CD2 1 ATOM 6339 N N . THR E 3 25 ? 220.210 66.210 -9.683 1.00 48.56 ? 25 THR I N 1 ATOM 6340 C CA . THR E 3 25 ? 220.336 65.941 -8.259 1.00 42.12 ? 25 THR I CA 1 ATOM 6341 C C . THR E 3 25 ? 220.008 64.473 -8.023 1.00 50.09 ? 25 THR I C 1 ATOM 6342 O O . THR E 3 25 ? 219.081 63.937 -8.640 1.00 53.00 ? 25 THR I O 1 ATOM 6343 C CB . THR E 3 25 ? 219.413 66.859 -7.443 1.00 36.43 ? 25 THR I CB 1 ATOM 6344 O OG1 . THR E 3 25 ? 219.919 68.201 -7.484 1.00 51.47 ? 25 THR I OG1 1 ATOM 6345 C CG2 . THR E 3 25 ? 219.322 66.416 -5.989 1.00 34.49 ? 25 THR I CG2 1 ATOM 6346 N N . ARG E 3 26 ? 220.794 63.815 -7.167 1.00 47.51 ? 26 ARG I N 1 ATOM 6347 C CA . ARG E 3 26 ? 220.528 62.436 -6.780 1.00 36.29 ? 26 ARG I CA 1 ATOM 6348 C C . ARG E 3 26 ? 219.574 62.417 -5.591 1.00 48.60 ? 26 ARG I C 1 ATOM 6349 O O . ARG E 3 26 ? 219.844 63.046 -4.561 1.00 39.03 ? 26 ARG I O 1 ATOM 6350 C CB . ARG E 3 26 ? 221.825 61.711 -6.427 1.00 37.70 ? 26 ARG I CB 1 ATOM 6351 C CG . ARG E 3 26 ? 221.616 60.285 -5.946 1.00 52.41 ? 26 ARG I CG 1 ATOM 6352 C CD . ARG E 3 26 ? 222.938 59.539 -5.883 1.00 58.50 ? 26 ARG I CD 1 ATOM 6353 N NE . ARG E 3 26 ? 223.881 60.208 -4.991 1.00 54.32 ? 26 ARG I NE 1 ATOM 6354 C CZ . ARG E 3 26 ? 223.887 60.051 -3.671 1.00 51.87 ? 26 ARG I CZ 1 ATOM 6355 N NH1 . ARG E 3 26 ? 222.999 59.250 -3.102 1.00 54.40 1 26 ARG I NH1 1 ATOM 6356 N NH2 . ARG E 3 26 ? 224.770 60.699 -2.919 1.00 52.24 ? 26 ARG I NH2 1 ATOM 6357 N N . GLN E 3 27 ? 218.462 61.698 -5.731 1.00 48.35 ? 27 GLN I N 1 ATOM 6358 C CA . GLN E 3 27 ? 217.469 61.673 -4.663 1.00 47.64 ? 27 GLN I CA 1 ATOM 6359 C C . GLN E 3 27 ? 218.018 60.953 -3.440 1.00 55.16 ? 27 GLN I C 1 ATOM 6360 O O . GLN E 3 27 ? 218.537 59.836 -3.542 1.00 49.66 ? 27 GLN I O 1 ATOM 6361 C CB . GLN E 3 27 ? 216.179 61.000 -5.126 1.00 45.14 ? 27 GLN I CB 1 ATOM 6362 C CG . GLN E 3 27 ? 215.236 60.692 -3.964 1.00 50.75 ? 27 GLN I CG 1 ATOM 6363 C CD . GLN E 3 27 ? 213.841 61.247 -4.158 1.00 49.57 ? 27 GLN I CD 1 ATOM 6364 O OE1 . GLN E 3 27 ? 213.308 61.241 -5.265 1.00 56.23 ? 27 GLN I OE1 1 ATOM 6365 N NE2 . GLN E 3 27 ? 213.242 61.737 -3.076 1.00 42.91 ? 27 GLN I NE2 1 ATOM 6366 N N . GLY E 3 28 ? 217.882 61.594 -2.279 1.00 74.87 ? 28 GLY I N 1 ATOM 6367 C CA . GLY E 3 28 ? 218.363 61.051 -1.026 1.00 78.17 ? 28 GLY I CA 1 ATOM 6368 C C . GLY E 3 28 ? 217.465 59.971 -0.453 1.00 77.02 ? 28 GLY I C 1 ATOM 6369 O O . GLY E 3 28 ? 216.660 59.348 -1.148 1.00 78.64 ? 28 GLY I O 1 ATOM 6370 N N . GLY E 3 29 ? 217.614 59.752 0.845 1.00 81.54 ? 29 GLY I N 1 ATOM 6371 C CA . GLY E 3 29 ? 216.916 58.674 1.499 1.00 85.87 ? 29 GLY I CA 1 ATOM 6372 C C . GLY E 3 29 ? 217.560 57.334 1.205 1.00 96.72 ? 29 GLY I C 1 ATOM 6373 O O . GLY E 3 29 ? 218.635 57.234 0.606 1.00 103.01 ? 29 GLY I O 1 ATOM 6374 N N . TYR E 3 30 ? 216.874 56.279 1.638 1.00 107.07 ? 30 TYR I N 1 ATOM 6375 C CA . TYR E 3 30 ? 217.425 54.936 1.514 1.00 118.63 ? 30 TYR I CA 1 ATOM 6376 C C . TYR E 3 30 ? 216.889 54.223 0.279 1.00 129.93 ? 30 TYR I C 1 ATOM 6377 O O . TYR E 3 30 ? 217.578 54.147 -0.746 1.00 130.16 ? 30 TYR I O 1 ATOM 6378 C CB . TYR E 3 30 ? 217.126 54.107 2.770 1.00 122.03 ? 30 TYR I CB 1 ATOM 6379 C CG . TYR E 3 30 ? 217.970 54.454 3.984 1.00 125.87 ? 30 TYR I CG 1 ATOM 6380 C CD1 . TYR E 3 30 ? 218.021 53.600 5.085 1.00 131.20 ? 30 TYR I CD1 1 ATOM 6381 C CD2 . TYR E 3 30 ? 218.709 55.635 4.036 1.00 120.85 ? 30 TYR I CD2 1 ATOM 6382 C CE1 . TYR E 3 30 ? 218.789 53.912 6.200 1.00 132.91 ? 30 TYR I CE1 1 ATOM 6383 C CE2 . TYR E 3 30 ? 219.477 55.955 5.144 1.00 123.26 ? 30 TYR I CE2 1 ATOM 6384 C CZ . TYR E 3 30 ? 219.514 55.092 6.222 1.00 130.12 ? 30 TYR I CZ 1 ATOM 6385 O OH . TYR E 3 30 ? 220.278 55.411 7.323 1.00 129.30 ? 30 TYR I OH 1 ATOM 6386 N N . SER E 3 31 ? 215.660 53.706 0.372 1.00 136.79 ? 31 SER I N 1 ATOM 6387 C CA . SER E 3 31 ? 215.106 52.760 -0.595 1.00 137.32 ? 31 SER I CA 1 ATOM 6388 C C . SER E 3 31 ? 215.984 51.517 -0.668 1.00 145.69 ? 31 SER I C 1 ATOM 6389 C CB . SER E 3 31 ? 214.961 53.388 -1.984 1.00 127.81 ? 31 SER I CB 1 ATOM 6390 N N . ASN E 3 32 ? 217.213 51.684 -1.158 1.00 148.35 ? 32 ASN I N 1 ATOM 6391 C CA . ASN E 3 32 ? 218.165 50.583 -1.279 1.00 145.92 ? 32 ASN I CA 1 ATOM 6392 C C . ASN E 3 32 ? 217.560 49.408 -2.037 1.00 145.42 ? 32 ASN I C 1 ATOM 6393 C CB . ASN E 3 32 ? 218.677 50.138 0.094 1.00 140.94 ? 32 ASN I CB 1 ATOM 6394 C CG . ASN E 3 32 ? 219.646 51.135 0.704 1.00 133.26 ? 32 ASN I CG 1 ATOM 6395 O OD1 . ASN E 3 32 ? 219.240 52.102 1.347 1.00 128.12 ? 32 ASN I OD1 1 ATOM 6396 N ND2 . ASN E 3 32 ? 220.938 50.902 0.504 1.00 132.32 ? 32 ASN I ND2 1 ATOM 6397 N N . ALA E 3 33 ? 216.663 49.713 -2.975 1.00 140.72 ? 33 ALA I N 1 ATOM 6398 C CA . ALA E 3 33 ? 216.062 48.701 -3.831 1.00 135.33 ? 33 ALA I CA 1 ATOM 6399 C C . ALA E 3 33 ? 216.917 48.514 -5.076 1.00 132.31 ? 33 ALA I C 1 ATOM 6400 O O . ALA E 3 33 ? 216.401 48.190 -6.150 1.00 133.34 ? 33 ALA I O 1 ATOM 6401 C CB . ALA E 3 33 ? 214.629 49.088 -4.198 1.00 129.30 ? 33 ALA I CB 1 ATOM 6402 N N . ASN E 3 34 ? 218.227 48.730 -4.931 1.00 122.70 ? 34 ASN I N 1 ATOM 6403 C CA . ASN E 3 34 ? 219.222 48.641 -5.997 1.00 107.45 ? 34 ASN I CA 1 ATOM 6404 C C . ASN E 3 34 ? 218.997 49.667 -7.103 1.00 100.74 ? 34 ASN I C 1 ATOM 6405 O O . ASN E 3 34 ? 219.626 49.576 -8.166 1.00 90.94 ? 34 ASN I O 1 ATOM 6406 C CB . ASN E 3 34 ? 219.279 47.227 -6.588 1.00 105.93 ? 34 ASN I CB 1 ATOM 6407 C CG . ASN E 3 34 ? 220.692 46.703 -6.694 1.00 108.93 ? 34 ASN I CG 1 ATOM 6408 O OD1 . ASN E 3 34 ? 221.644 47.477 -6.801 1.00 119.13 ? 34 ASN I OD1 1 ATOM 6409 N ND2 . ASN E 3 34 ? 220.841 45.382 -6.661 1.00 100.21 ? 34 ASN I ND2 1 ATOM 6410 N N . THR E 3 35 ? 218.125 50.648 -6.877 1.00 96.52 ? 35 THR I N 1 ATOM 6411 C CA . THR E 3 35 ? 217.824 51.695 -7.841 1.00 88.08 ? 35 THR I CA 1 ATOM 6412 C C . THR E 3 35 ? 218.303 53.044 -7.314 1.00 79.40 ? 35 THR I C 1 ATOM 6413 O O . THR E 3 35 ? 218.334 53.280 -6.103 1.00 78.01 ? 35 THR I O 1 ATOM 6414 C CB . THR E 3 35 ? 216.317 51.760 -8.134 1.00 87.61 ? 35 THR I CB 1 ATOM 6415 O OG1 . THR E 3 35 ? 215.634 52.328 -7.011 1.00 96.75 ? 35 THR I OG1 1 ATOM 6416 C CG2 . THR E 3 35 ? 215.757 50.369 -8.380 1.00 86.34 ? 35 THR I CG2 1 ATOM 6417 N N . VAL E 3 36 ? 218.684 53.930 -8.234 1.00 72.13 ? 36 VAL I N 1 ATOM 6418 C CA . VAL E 3 36 ? 219.066 55.297 -7.900 1.00 59.91 ? 36 VAL I CA 1 ATOM 6419 C C . VAL E 3 36 ? 218.229 56.246 -8.742 1.00 61.46 ? 36 VAL I C 1 ATOM 6420 O O . VAL E 3 36 ? 218.233 56.159 -9.975 1.00 68.22 ? 36 VAL I O 1 ATOM 6421 C CB . VAL E 3 36 ? 220.564 55.570 -8.136 1.00 57.74 ? 36 VAL I CB 1 ATOM 6422 C CG1 . VAL E 3 36 ? 220.930 56.953 -7.611 1.00 58.51 ? 36 VAL I CG1 1 ATOM 6423 C CG2 . VAL E 3 36 ? 221.421 54.505 -7.482 1.00 58.18 ? 36 VAL I CG2 1 ATOM 6424 N N . ILE E 3 37 ? 217.541 57.154 -8.086 1.00 58.83 ? 37 ILE I N 1 ATOM 6425 C CA . ILE E 3 37 ? 216.674 58.113 -8.759 1.00 53.33 ? 37 ILE I CA 1 ATOM 6426 C C . ILE E 3 37 ? 217.451 59.398 -9.025 1.00 54.72 ? 37 ILE I C 1 ATOM 6427 O O . ILE E 3 37 ? 218.343 59.777 -8.262 1.00 50.86 ? 37 ILE I O 1 ATOM 6428 C CB . ILE E 3 37 ? 215.414 58.371 -7.910 1.00 47.48 ? 37 ILE I CB 1 ATOM 6429 C CG1 . ILE E 3 37 ? 214.789 57.048 -7.474 1.00 45.62 ? 37 ILE I CG1 1 ATOM 6430 C CG2 . ILE E 3 37 ? 214.389 59.180 -8.683 1.00 50.23 ? 37 ILE I CG2 1 ATOM 6431 C CD1 . ILE E 3 37 ? 213.592 57.239 -6.576 1.00 57.48 ? 37 ILE I CD1 1 ATOM 6432 N N . PHE E 3 38 ? 217.118 60.075 -10.125 1.00 61.83 ? 38 PHE I N 1 ATOM 6433 C CA . PHE E 3 38 ? 217.690 61.378 -10.437 1.00 54.21 ? 38 PHE I CA 1 ATOM 6434 C C . PHE E 3 38 ? 216.593 62.324 -10.902 1.00 54.01 ? 38 PHE I C 1 ATOM 6435 O O . PHE E 3 38 ? 215.645 61.919 -11.582 1.00 53.42 ? 38 PHE I O 1 ATOM 6436 C CB . PHE E 3 38 ? 218.790 61.278 -11.503 1.00 47.79 ? 38 PHE I CB 1 ATOM 6437 C CG . PHE E 3 38 ? 220.024 60.599 -11.013 1.00 45.53 ? 38 PHE I CG 1 ATOM 6438 C CD1 . PHE E 3 38 ? 221.011 61.316 -10.367 1.00 49.84 ? 38 PHE I CD1 1 ATOM 6439 C CD2 . PHE E 3 38 ? 220.180 59.236 -11.158 1.00 48.58 ? 38 PHE I CD2 1 ATOM 6440 C CE1 . PHE E 3 38 ? 222.141 60.686 -9.894 1.00 52.55 ? 38 PHE I CE1 1 ATOM 6441 C CE2 . PHE E 3 38 ? 221.306 58.603 -10.685 1.00 57.09 ? 38 PHE I CE2 1 ATOM 6442 C CZ . PHE E 3 38 ? 222.291 59.330 -10.055 1.00 50.42 ? 38 PHE I CZ 1 ATOM 6443 N N . ARG E 3 39 ? 216.734 63.586 -10.520 1.00 47.02 ? 39 ARG I N 1 ATOM 6444 C CA . ARG E 3 39 ? 215.835 64.666 -10.888 1.00 47.11 ? 39 ARG I CA 1 ATOM 6445 C C . ARG E 3 39 ? 216.666 65.830 -11.399 1.00 49.15 ? 39 ARG I C 1 ATOM 6446 O O . ARG E 3 39 ? 217.873 65.895 -11.140 1.00 48.69 ? 39 ARG I O 1 ATOM 6447 C CB . ARG E 3 39 ? 214.991 65.120 -9.688 1.00 46.07 ? 39 ARG I CB 1 ATOM 6448 C CG . ARG E 3 39 ? 214.156 64.023 -9.040 1.00 38.65 ? 39 ARG I CG 1 ATOM 6449 C CD . ARG E 3 39 ? 213.470 64.557 -7.783 1.00 38.25 ? 39 ARG I CD 1 ATOM 6450 N NE . ARG E 3 39 ? 212.715 63.524 -7.073 1.00 43.17 ? 39 ARG I NE 1 ATOM 6451 C CZ . ARG E 3 39 ? 211.491 63.138 -7.407 1.00 38.52 ? 39 ARG I CZ 1 ATOM 6452 N NH1 . ARG E 3 39 ? 210.881 63.691 -8.447 1.00 45.94 1 39 ARG I NH1 1 ATOM 6453 N NH2 . ARG E 3 39 ? 210.880 62.200 -6.704 1.00 49.90 ? 39 ARG I NH2 1 ATOM 6454 N N . PRO E 3 40 ? 216.060 66.758 -12.145 1.00 45.43 ? 40 PRO I N 1 ATOM 6455 C CA . PRO E 3 40 ? 216.769 67.999 -12.480 1.00 48.83 ? 40 PRO I CA 1 ATOM 6456 C C . PRO E 3 40 ? 217.127 68.765 -11.214 1.00 41.16 ? 40 PRO I C 1 ATOM 6457 O O . PRO E 3 40 ? 216.435 68.680 -10.199 1.00 43.37 ? 40 PRO I O 1 ATOM 6458 C CB . PRO E 3 40 ? 215.765 68.770 -13.350 1.00 57.05 ? 40 PRO I CB 1 ATOM 6459 C CG . PRO E 3 40 ? 214.445 68.092 -13.137 1.00 54.77 ? 40 PRO I CG 1 ATOM 6460 C CD . PRO E 3 40 ? 214.758 66.665 -12.829 1.00 52.36 ? 40 PRO I CD 1 ATOM 6461 N N . SER E 3 41 ? 218.213 69.537 -11.293 1.00 44.52 ? 41 SER I N 1 ATOM 6462 C CA . SER E 3 41 ? 218.914 69.985 -10.094 1.00 41.31 ? 41 SER I CA 1 ATOM 6463 C C . SER E 3 41 ? 218.020 70.780 -9.155 1.00 42.86 ? 41 SER I C 1 ATOM 6464 O O . SER E 3 41 ? 217.375 71.753 -9.558 1.00 51.64 ? 41 SER I O 1 ATOM 6465 C CB . SER E 3 41 ? 220.129 70.834 -10.464 1.00 48.29 ? 41 SER I CB 1 ATOM 6466 O OG . SER E 3 41 ? 220.847 71.185 -9.282 1.00 47.73 ? 41 SER I OG 1 ATOM 6467 N N . GLY E 3 42 ? 218.025 70.385 -7.885 1.00 36.19 ? 42 GLY I N 1 ATOM 6468 C CA . GLY E 3 42 ? 217.384 71.147 -6.836 1.00 35.39 ? 42 GLY I CA 1 ATOM 6469 C C . GLY E 3 42 ? 218.225 72.280 -6.286 1.00 41.13 ? 42 GLY I C 1 ATOM 6470 O O . GLY E 3 42 ? 217.843 72.890 -5.281 1.00 46.96 ? 42 GLY I O 1 ATOM 6471 N N . GLY E 3 43 ? 219.370 72.571 -6.898 1.00 31.84 ? 43 GLY I N 1 ATOM 6472 C CA . GLY E 3 43 ? 220.227 73.670 -6.484 1.00 36.21 ? 43 GLY I CA 1 ATOM 6473 C C . GLY E 3 43 ? 219.844 74.981 -7.139 1.00 48.89 ? 43 GLY I C 1 ATOM 6474 O O . GLY E 3 43 ? 218.688 75.201 -7.515 1.00 53.53 ? 43 GLY I O 1 ATOM 6475 N N . ASP E 3 44 ? 220.837 75.860 -7.290 1.00 37.82 ? 44 ASP I N 1 ATOM 6476 C CA . ASP E 3 44 ? 220.632 77.198 -7.840 1.00 46.29 ? 44 ASP I CA 1 ATOM 6477 C C . ASP E 3 44 ? 221.701 77.556 -8.875 1.00 47.36 ? 44 ASP I C 1 ATOM 6478 O O . ASP E 3 44 ? 222.204 76.680 -9.586 1.00 46.23 ? 44 ASP I O 1 ATOM 6479 C CB . ASP E 3 44 ? 220.612 78.239 -6.713 1.00 41.63 ? 44 ASP I CB 1 ATOM 6480 C CG . ASP E 3 44 ? 221.781 78.089 -5.756 1.00 54.14 ? 44 ASP I CG 1 ATOM 6481 O OD1 . ASP E 3 44 ? 222.740 77.361 -6.096 1.00 59.07 ? 44 ASP I OD1 1 ATOM 6482 O OD2 . ASP E 3 44 ? 221.742 78.698 -4.661 1.00 70.47 -1 44 ASP I OD2 1 ATOM 6483 N N . TRP E 3 45 ? 222.067 78.839 -8.964 1.00 49.83 ? 45 TRP I N 1 ATOM 6484 C CA . TRP E 3 45 ? 223.023 79.255 -9.986 1.00 53.68 ? 45 TRP I CA 1 ATOM 6485 C C . TRP E 3 45 ? 224.443 78.819 -9.651 1.00 59.34 ? 45 TRP I C 1 ATOM 6486 O O . TRP E 3 45 ? 225.273 78.675 -10.560 1.00 48.77 ? 45 TRP I O 1 ATOM 6487 C CB . TRP E 3 45 ? 222.977 80.770 -10.188 1.00 43.62 ? 45 TRP I CB 1 ATOM 6488 C CG . TRP E 3 45 ? 221.682 81.287 -10.774 1.00 43.17 ? 45 TRP I CG 1 ATOM 6489 C CD1 . TRP E 3 45 ? 220.776 82.114 -10.164 1.00 41.19 ? 45 TRP I CD1 1 ATOM 6490 C CD2 . TRP E 3 45 ? 221.160 81.020 -12.081 1.00 38.81 ? 45 TRP I CD2 1 ATOM 6491 N NE1 . TRP E 3 45 ? 219.730 82.383 -11.014 1.00 41.74 ? 45 TRP I NE1 1 ATOM 6492 C CE2 . TRP E 3 45 ? 219.940 81.721 -12.195 1.00 46.37 ? 45 TRP I CE2 1 ATOM 6493 C CE3 . TRP E 3 45 ? 221.608 80.264 -13.169 1.00 43.50 ? 45 TRP I CE3 1 ATOM 6494 C CZ2 . TRP E 3 45 ? 219.159 81.677 -13.349 1.00 43.09 ? 45 TRP I CZ2 1 ATOM 6495 C CZ3 . TRP E 3 45 ? 220.836 80.225 -14.313 1.00 42.60 ? 45 TRP I CZ3 1 ATOM 6496 C CH2 . TRP E 3 45 ? 219.626 80.928 -14.395 1.00 49.96 ? 45 TRP I CH2 1 ATOM 6497 N N . ARG E 3 46 ? 224.747 78.615 -8.366 1.00 55.92 ? 46 ARG I N 1 ATOM 6498 C CA . ARG E 3 46 ? 226.069 78.116 -7.989 1.00 52.48 ? 46 ARG I CA 1 ATOM 6499 C C . ARG E 3 46 ? 226.316 76.736 -8.592 1.00 50.87 ? 46 ARG I C 1 ATOM 6500 O O . ARG E 3 46 ? 227.360 76.499 -9.212 1.00 52.68 ? 46 ARG I O 1 ATOM 6501 C CB . ARG E 3 46 ? 226.211 78.087 -6.463 1.00 50.06 ? 46 ARG I CB 1 ATOM 6502 C CG . ARG E 3 46 ? 227.631 77.857 -5.937 1.00 58.22 ? 46 ARG I CG 1 ATOM 6503 C CD . ARG E 3 46 ? 227.632 77.369 -4.471 1.00 84.02 ? 46 ARG I CD 1 ATOM 6504 N NE . ARG E 3 46 ? 227.279 78.402 -3.486 1.00 102.30 ? 46 ARG I NE 1 ATOM 6505 C CZ . ARG E 3 46 ? 226.080 78.543 -2.915 1.00 94.72 ? 46 ARG I CZ 1 ATOM 6506 N NH1 . ARG E 3 46 ? 225.081 77.722 -3.223 1.00 94.21 1 46 ARG I NH1 1 ATOM 6507 N NH2 . ARG E 3 46 ? 225.877 79.513 -2.030 1.00 78.56 ? 46 ARG I NH2 1 ATOM 6508 N N . ASP E 3 47 ? 225.353 75.817 -8.438 1.00 46.35 ? 47 ASP I N 1 ATOM 6509 C CA . ASP E 3 47 ? 225.473 74.497 -9.060 1.00 36.89 ? 47 ASP I CA 1 ATOM 6510 C C . ASP E 3 47 ? 225.710 74.618 -10.559 1.00 40.10 ? 47 ASP I C 1 ATOM 6511 O O . ASP E 3 47 ? 226.614 73.980 -11.110 1.00 39.10 ? 47 ASP I O 1 ATOM 6512 C CB . ASP E 3 47 ? 224.220 73.651 -8.802 1.00 47.56 ? 47 ASP I CB 1 ATOM 6513 C CG . ASP E 3 47 ? 223.918 73.466 -7.322 1.00 66.72 ? 47 ASP I CG 1 ATOM 6514 O OD1 . ASP E 3 47 ? 223.376 74.413 -6.710 1.00 62.88 ? 47 ASP I OD1 1 ATOM 6515 O OD2 . ASP E 3 47 ? 224.203 72.370 -6.778 1.00 73.74 -1 47 ASP I OD2 1 ATOM 6516 N N . ILE E 3 48 ? 224.904 75.438 -11.240 1.00 45.12 ? 48 ILE I N 1 ATOM 6517 C CA . ILE E 3 48 ? 225.032 75.574 -12.690 1.00 42.52 ? 48 ILE I CA 1 ATOM 6518 C C . ILE E 3 48 ? 226.397 76.142 -13.058 1.00 42.13 ? 48 ILE I C 1 ATOM 6519 O O . ILE E 3 48 ? 227.106 75.591 -13.907 1.00 50.40 ? 48 ILE I O 1 ATOM 6520 C CB . ILE E 3 48 ? 223.889 76.437 -13.251 1.00 44.07 ? 48 ILE I CB 1 ATOM 6521 C CG1 . ILE E 3 48 ? 222.550 75.743 -13.013 1.00 34.31 ? 48 ILE I CG1 1 ATOM 6522 C CG2 . ILE E 3 48 ? 224.091 76.684 -14.735 1.00 38.02 ? 48 ILE I CG2 1 ATOM 6523 C CD1 . ILE E 3 48 ? 221.371 76.525 -13.512 1.00 43.51 ? 48 ILE I CD1 1 ATOM 6524 N N . ALA E 3 49 ? 226.795 77.240 -12.402 1.00 43.32 ? 49 ALA I N 1 ATOM 6525 C CA . ALA E 3 49 ? 228.026 77.940 -12.770 1.00 39.96 ? 49 ALA I CA 1 ATOM 6526 C C . ALA E 3 49 ? 229.265 77.078 -12.584 1.00 50.96 ? 49 ALA I C 1 ATOM 6527 O O . ALA E 3 49 ? 230.257 77.259 -13.298 1.00 56.08 ? 49 ALA I O 1 ATOM 6528 C CB . ALA E 3 49 ? 228.176 79.224 -11.952 1.00 40.19 ? 49 ALA I CB 1 ATOM 6529 N N . ARG E 3 50 ? 229.245 76.156 -11.629 1.00 56.86 ? 50 ARG I N 1 ATOM 6530 C CA . ARG E 3 50 ? 230.430 75.366 -11.340 1.00 50.71 ? 50 ARG I CA 1 ATOM 6531 C C . ARG E 3 50 ? 230.534 74.117 -12.206 1.00 61.98 ? 50 ARG I C 1 ATOM 6532 O O . ARG E 3 50 ? 231.525 73.389 -12.101 1.00 78.27 ? 50 ARG I O 1 ATOM 6533 C CB . ARG E 3 50 ? 230.470 75.013 -9.847 1.00 49.67 ? 50 ARG I CB 1 ATOM 6534 C CG . ARG E 3 50 ? 230.692 76.259 -8.968 1.00 65.37 ? 50 ARG I CG 1 ATOM 6535 C CD . ARG E 3 50 ? 230.737 75.976 -7.465 1.00 79.47 ? 50 ARG I CD 1 ATOM 6536 N NE . ARG E 3 50 ? 231.957 75.290 -7.047 1.00 90.45 ? 50 ARG I NE 1 ATOM 6537 C CZ . ARG E 3 50 ? 232.307 75.100 -5.779 1.00 99.55 ? 50 ARG I CZ 1 ATOM 6538 N NH1 . ARG E 3 50 ? 231.535 75.554 -4.797 1.00 96.99 1 50 ARG I NH1 1 ATOM 6539 N NH2 . ARG E 3 50 ? 233.433 74.460 -5.493 1.00 107.44 ? 50 ARG I NH2 1 ATOM 6540 N N . CYS E 3 51 ? 229.555 73.866 -13.080 1.00 58.42 ? 51 CYS I N 1 ATOM 6541 C CA . CYS E 3 51 ? 229.710 72.801 -14.065 1.00 58.99 ? 51 CYS I CA 1 ATOM 6542 C C . CYS E 3 51 ? 230.739 73.167 -15.126 1.00 64.18 ? 51 CYS I C 1 ATOM 6543 O O . CYS E 3 51 ? 231.443 72.286 -15.632 1.00 75.02 ? 51 CYS I O 1 ATOM 6544 C CB . CYS E 3 51 ? 228.366 72.483 -14.719 1.00 71.86 ? 51 CYS I CB 1 ATOM 6545 S SG . CYS E 3 51 ? 227.234 71.556 -13.662 1.00 82.65 ? 51 CYS I SG 1 ATOM 6546 N N . GLN E 3 52 ? 230.834 74.453 -15.473 1.00 67.49 ? 52 GLN I N 1 ATOM 6547 C CA . GLN E 3 52 ? 231.812 74.959 -16.440 1.00 67.94 ? 52 GLN I CA 1 ATOM 6548 C C . GLN E 3 52 ? 231.608 74.350 -17.825 1.00 61.28 ? 52 GLN I C 1 ATOM 6549 O O . GLN E 3 52 ? 232.568 73.971 -18.499 1.00 68.65 ? 52 GLN I O 1 ATOM 6550 C CB . GLN E 3 52 ? 233.246 74.729 -15.957 1.00 72.26 ? 52 GLN I CB 1 ATOM 6551 C CG . GLN E 3 52 ? 233.522 75.249 -14.556 1.00 73.03 ? 52 GLN I CG 1 ATOM 6552 C CD . GLN E 3 52 ? 235.003 75.272 -14.228 1.00 75.66 ? 52 GLN I CD 1 ATOM 6553 O OE1 . GLN E 3 52 ? 235.798 75.881 -14.944 1.00 83.60 ? 52 GLN I OE1 1 ATOM 6554 N NE2 . GLN E 3 52 ? 235.383 74.598 -13.148 1.00 71.18 ? 52 GLN I NE2 1 ATOM 6555 N N . ILE E 3 53 ? 230.347 74.252 -18.254 1.00 62.14 ? 53 ILE I N 1 ATOM 6556 C CA . ILE E 3 53 ? 230.015 73.767 -19.592 1.00 61.26 ? 53 ILE I CA 1 ATOM 6557 C C . ILE E 3 53 ? 228.894 74.613 -20.192 1.00 64.50 ? 53 ILE I C 1 ATOM 6558 O O . ILE E 3 53 ? 228.267 74.215 -21.181 1.00 72.38 ? 53 ILE I O 1 ATOM 6559 C CB . ILE E 3 53 ? 229.620 72.274 -19.571 1.00 57.35 ? 53 ILE I CB 1 ATOM 6560 C CG1 . ILE E 3 53 ? 228.341 72.051 -18.762 1.00 57.22 ? 53 ILE I CG1 1 ATOM 6561 C CG2 . ILE E 3 53 ? 230.745 71.401 -19.008 1.00 49.06 ? 53 ILE I CG2 1 ATOM 6562 C CD1 . ILE E 3 53 ? 227.830 70.610 -18.827 1.00 50.93 ? 53 ILE I CD1 1 ATOM 6563 N N . ALA E 3 54 ? 228.665 75.805 -19.629 1.00 63.92 ? 54 ALA I N 1 ATOM 6564 C CA . ALA E 3 54 ? 227.436 76.553 -19.900 1.00 65.41 ? 54 ALA I CA 1 ATOM 6565 C C . ALA E 3 54 ? 227.449 77.238 -21.264 1.00 79.79 ? 54 ALA I C 1 ATOM 6566 O O . ALA E 3 54 ? 226.531 77.043 -22.071 1.00 102.54 ? 54 ALA I O 1 ATOM 6567 C CB . ALA E 3 54 ? 227.193 77.591 -18.801 1.00 57.66 ? 54 ALA I CB 1 ATOM 6568 N N . GLY E 3 55 ? 228.449 78.066 -21.532 1.00 59.07 ? 55 GLY I N 1 ATOM 6569 C CA . GLY E 3 55 ? 228.372 78.941 -22.689 1.00 59.68 ? 55 GLY I CA 1 ATOM 6570 C C . GLY E 3 55 ? 227.737 80.277 -22.346 1.00 65.70 ? 55 GLY I C 1 ATOM 6571 O O . GLY E 3 55 ? 227.510 80.620 -21.181 1.00 73.73 ? 55 GLY I O 1 ATOM 6572 N N . THR E 3 56 ? 227.430 81.047 -23.396 1.00 61.42 ? 56 THR I N 1 ATOM 6573 C CA . THR E 3 56 ? 226.934 82.406 -23.183 1.00 61.93 ? 56 THR I CA 1 ATOM 6574 C C . THR E 3 56 ? 225.479 82.439 -22.726 1.00 55.60 ? 56 THR I C 1 ATOM 6575 O O . THR E 3 56 ? 225.073 83.390 -22.046 1.00 55.65 ? 56 THR I O 1 ATOM 6576 C CB . THR E 3 56 ? 227.080 83.239 -24.457 1.00 70.45 ? 56 THR I CB 1 ATOM 6577 O OG1 . THR E 3 56 ? 226.191 82.736 -25.463 1.00 80.75 ? 56 THR I OG1 1 ATOM 6578 C CG2 . THR E 3 56 ? 228.508 83.189 -24.970 1.00 72.06 ? 56 THR I CG2 1 ATOM 6579 N N . VAL E 3 57 ? 224.678 81.443 -23.094 1.00 49.95 ? 57 VAL I N 1 ATOM 6580 C CA . VAL E 3 57 ? 223.252 81.488 -22.794 1.00 56.52 ? 57 VAL I CA 1 ATOM 6581 C C . VAL E 3 57 ? 223.025 81.055 -21.352 1.00 53.62 ? 57 VAL I C 1 ATOM 6582 O O . VAL E 3 57 ? 223.581 80.050 -20.889 1.00 60.59 ? 57 VAL I O 1 ATOM 6583 C CB . VAL E 3 57 ? 222.448 80.630 -23.789 1.00 57.23 ? 57 VAL I CB 1 ATOM 6584 C CG1 . VAL E 3 57 ? 223.359 79.688 -24.533 1.00 47.79 ? 57 VAL I CG1 1 ATOM 6585 C CG2 . VAL E 3 57 ? 221.305 79.876 -23.086 1.00 45.60 ? 57 VAL I CG2 1 ATOM 6586 N N . VAL E 3 58 ? 222.234 81.842 -20.631 1.00 53.49 ? 58 VAL I N 1 ATOM 6587 C CA . VAL E 3 58 ? 221.893 81.564 -19.243 1.00 50.94 ? 58 VAL I CA 1 ATOM 6588 C C . VAL E 3 58 ? 220.680 80.644 -19.228 1.00 43.85 ? 58 VAL I C 1 ATOM 6589 O O . VAL E 3 58 ? 219.617 81.001 -19.747 1.00 51.36 ? 58 VAL I O 1 ATOM 6590 C CB . VAL E 3 58 ? 221.613 82.865 -18.479 1.00 51.28 ? 58 VAL I CB 1 ATOM 6591 C CG1 . VAL E 3 58 ? 221.082 82.560 -17.094 1.00 43.86 ? 58 VAL I CG1 1 ATOM 6592 C CG2 . VAL E 3 58 ? 222.882 83.715 -18.412 1.00 53.04 ? 58 VAL I CG2 1 ATOM 6593 N N . SER E 3 59 ? 220.839 79.455 -18.649 1.00 38.07 ? 59 SER I N 1 ATOM 6594 C CA . SER E 3 59 ? 219.767 78.472 -18.640 1.00 40.60 ? 59 SER I CA 1 ATOM 6595 C C . SER E 3 59 ? 219.836 77.661 -17.355 1.00 49.84 ? 59 SER I C 1 ATOM 6596 O O . SER E 3 59 ? 220.847 77.666 -16.648 1.00 48.87 ? 59 SER I O 1 ATOM 6597 C CB . SER E 3 59 ? 219.834 77.545 -19.864 1.00 41.65 ? 59 SER I CB 1 ATOM 6598 O OG . SER E 3 59 ? 221.030 76.783 -19.880 1.00 53.21 ? 59 SER I OG 1 ATOM 6599 N N . THR E 3 60 ? 218.731 76.974 -17.055 1.00 36.14 ? 60 THR I N 1 ATOM 6600 C CA . THR E 3 60 ? 218.644 76.047 -15.941 1.00 39.69 ? 60 THR I CA 1 ATOM 6601 C C . THR E 3 60 ? 218.291 74.662 -16.463 1.00 48.59 ? 60 THR I C 1 ATOM 6602 O O . THR E 3 60 ? 217.750 74.515 -17.565 1.00 39.20 ? 60 THR I O 1 ATOM 6603 C CB . THR E 3 60 ? 217.592 76.476 -14.908 1.00 42.26 ? 60 THR I CB 1 ATOM 6604 O OG1 . THR E 3 60 ? 216.298 76.471 -15.518 1.00 41.63 ? 60 THR I OG1 1 ATOM 6605 C CG2 . THR E 3 60 ? 217.889 77.861 -14.375 1.00 40.12 ? 60 THR I CG2 1 ATOM 6606 N N . GLN E 3 61 ? 218.607 73.648 -15.641 1.00 33.64 ? 61 GLN I N 1 ATOM 6607 C CA . GLN E 3 61 ? 218.281 72.246 -15.897 1.00 38.00 ? 61 GLN I CA 1 ATOM 6608 C C . GLN E 3 61 ? 219.034 71.696 -17.107 1.00 52.42 ? 61 GLN I C 1 ATOM 6609 O O . GLN E 3 61 ? 219.727 70.676 -17.008 1.00 47.50 ? 61 GLN I O 1 ATOM 6610 C CB . GLN E 3 61 ? 216.768 72.058 -16.096 1.00 37.20 ? 61 GLN I CB 1 ATOM 6611 C CG . GLN E 3 61 ? 215.904 72.554 -14.946 1.00 38.27 ? 61 GLN I CG 1 ATOM 6612 C CD . GLN E 3 61 ? 214.558 71.858 -14.898 1.00 53.02 ? 61 GLN I CD 1 ATOM 6613 O OE1 . GLN E 3 61 ? 214.265 70.988 -15.720 1.00 48.88 ? 61 GLN I OE1 1 ATOM 6614 N NE2 . GLN E 3 61 ? 213.733 72.231 -13.926 1.00 62.97 ? 61 GLN I NE2 1 ATOM 6615 N N . LEU E 3 62 ? 218.887 72.352 -18.254 1.00 37.55 ? 62 LEU I N 1 ATOM 6616 C CA . LEU E 3 62 ? 219.552 71.961 -19.485 1.00 49.89 ? 62 LEU I CA 1 ATOM 6617 C C . LEU E 3 62 ? 220.552 73.034 -19.888 1.00 50.69 ? 62 LEU I C 1 ATOM 6618 O O . LEU E 3 62 ? 220.278 74.232 -19.760 1.00 54.05 ? 62 LEU I O 1 ATOM 6619 C CB . LEU E 3 62 ? 218.539 71.750 -20.611 1.00 49.19 ? 62 LEU I CB 1 ATOM 6620 C CG . LEU E 3 62 ? 217.468 70.704 -20.328 1.00 52.40 ? 62 LEU I CG 1 ATOM 6621 C CD1 . LEU E 3 62 ? 216.363 70.784 -21.357 1.00 55.08 ? 62 LEU I CD1 1 ATOM 6622 C CD2 . LEU E 3 62 ? 218.098 69.335 -20.339 1.00 59.73 ? 62 LEU I CD2 1 ATOM 6623 N N . PHE E 3 63 ? 221.711 72.602 -20.373 1.00 43.08 ? 63 PHE I N 1 ATOM 6624 C CA . PHE E 3 63 ? 222.698 73.516 -20.930 1.00 46.33 ? 63 PHE I CA 1 ATOM 6625 C C . PHE E 3 63 ? 222.426 73.692 -22.420 1.00 54.71 ? 63 PHE I C 1 ATOM 6626 O O . PHE E 3 63 ? 222.404 72.714 -23.173 1.00 67.92 ? 63 PHE I O 1 ATOM 6627 C CB . PHE E 3 63 ? 224.116 73.001 -20.685 1.00 44.21 ? 63 PHE I CB 1 ATOM 6628 C CG . PHE E 3 63 ? 224.546 73.091 -19.248 1.00 52.56 ? 63 PHE I CG 1 ATOM 6629 C CD1 . PHE E 3 63 ? 224.934 74.305 -18.707 1.00 56.83 ? 63 PHE I CD1 1 ATOM 6630 C CD2 . PHE E 3 63 ? 224.558 71.969 -18.438 1.00 54.98 ? 63 PHE I CD2 1 ATOM 6631 C CE1 . PHE E 3 63 ? 225.321 74.399 -17.384 1.00 63.29 ? 63 PHE I CE1 1 ATOM 6632 C CE2 . PHE E 3 63 ? 224.952 72.056 -17.114 1.00 58.16 ? 63 PHE I CE2 1 ATOM 6633 C CZ . PHE E 3 63 ? 225.330 73.273 -16.586 1.00 58.38 ? 63 PHE I CZ 1 ATOM 6634 N N . LEU E 3 64 ? 222.200 74.934 -22.835 1.00 55.54 ? 64 LEU I N 1 ATOM 6635 C CA . LEU E 3 64 ? 221.960 75.271 -24.230 1.00 49.85 ? 64 LEU I CA 1 ATOM 6636 C C . LEU E 3 64 ? 223.228 75.841 -24.842 1.00 48.32 ? 64 LEU I C 1 ATOM 6637 O O . LEU E 3 64 ? 223.863 76.721 -24.249 1.00 51.56 ? 64 LEU I O 1 ATOM 6638 C CB . LEU E 3 64 ? 220.830 76.291 -24.359 1.00 47.25 ? 64 LEU I CB 1 ATOM 6639 C CG . LEU E 3 64 ? 219.395 75.780 -24.459 1.00 55.42 ? 64 LEU I CG 1 ATOM 6640 C CD1 . LEU E 3 64 ? 219.275 74.340 -24.009 1.00 49.09 ? 64 LEU I CD1 1 ATOM 6641 C CD2 . LEU E 3 64 ? 218.507 76.671 -23.634 1.00 55.20 ? 64 LEU I CD2 1 ATOM 6642 N N . ASN E 3 65 ? 223.598 75.333 -26.018 1.00 48.99 ? 65 ASN I N 1 ATOM 6643 C CA . ASN E 3 65 ? 224.659 75.934 -26.829 1.00 52.33 ? 65 ASN I CA 1 ATOM 6644 C C . ASN E 3 65 ? 225.973 76.045 -26.054 1.00 47.66 ? 65 ASN I C 1 ATOM 6645 O O . ASN E 3 65 ? 226.699 77.035 -26.161 1.00 65.69 ? 65 ASN I O 1 ATOM 6646 C CB . ASN E 3 65 ? 224.228 77.309 -27.339 1.00 55.69 ? 65 ASN I CB 1 ATOM 6647 C CG . ASN E 3 65 ? 223.104 77.247 -28.346 1.00 44.33 ? 65 ASN I CG 1 ATOM 6648 N ND2 . ASN E 3 65 ? 222.773 78.421 -28.853 1.00 51.44 ? 65 ASN I ND2 1 ATOM 6649 N N . GLY E 3 66 ? 226.273 75.026 -25.250 1.00 47.87 ? 66 GLY I N 1 ATOM 6650 C CA . GLY E 3 66 ? 227.453 75.021 -24.414 1.00 52.55 ? 66 GLY I CA 1 ATOM 6651 C C . GLY E 3 66 ? 228.547 74.120 -24.962 1.00 59.16 ? 66 GLY I C 1 ATOM 6652 O O . GLY E 3 66 ? 228.548 73.727 -26.126 1.00 56.87 ? 66 GLY I O 1 ATOM 6653 N N . SER E 3 67 ? 229.493 73.793 -24.085 1.00 71.01 ? 67 SER I N 1 ATOM 6654 C CA . SER E 3 67 ? 230.599 72.927 -24.475 1.00 67.44 ? 67 SER I CA 1 ATOM 6655 C C . SER E 3 67 ? 230.129 71.484 -24.577 1.00 68.44 ? 67 SER I C 1 ATOM 6656 O O . SER E 3 67 ? 229.361 71.003 -23.738 1.00 75.08 ? 67 SER I O 1 ATOM 6657 C CB . SER E 3 67 ? 231.741 73.019 -23.465 1.00 63.29 ? 67 SER I CB 1 ATOM 6658 O OG . SER E 3 67 ? 232.001 74.359 -23.090 1.00 75.89 ? 67 SER I OG 1 ATOM 6659 N N . LEU E 3 68 ? 230.601 70.794 -25.609 1.00 64.34 ? 68 LEU I N 1 ATOM 6660 C CA . LEU E 3 68 ? 230.314 69.383 -25.813 1.00 64.46 ? 68 LEU I CA 1 ATOM 6661 C C . LEU E 3 68 ? 231.507 68.533 -25.395 1.00 66.98 ? 68 LEU I C 1 ATOM 6662 O O . LEU E 3 68 ? 232.657 68.979 -25.407 1.00 70.73 ? 68 LEU I O 1 ATOM 6663 C CB . LEU E 3 68 ? 229.962 69.102 -27.277 1.00 64.98 ? 68 LEU I CB 1 ATOM 6664 C CG . LEU E 3 68 ? 228.551 69.475 -27.726 1.00 62.53 ? 68 LEU I CG 1 ATOM 6665 C CD1 . LEU E 3 68 ? 228.389 69.242 -29.221 1.00 62.12 ? 68 LEU I CD1 1 ATOM 6666 C CD2 . LEU E 3 68 ? 227.520 68.678 -26.950 1.00 58.62 ? 68 LEU I CD2 1 ATOM 6667 N N . ALA E 3 69 ? 231.216 67.290 -25.026 1.00 69.37 ? 69 ALA I N 1 ATOM 6668 C CA . ALA E 3 69 ? 232.265 66.363 -24.638 1.00 74.42 ? 69 ALA I CA 1 ATOM 6669 C C . ALA E 3 69 ? 233.049 65.895 -25.860 1.00 86.03 ? 69 ALA I C 1 ATOM 6670 O O . ALA E 3 69 ? 232.590 65.977 -27.003 1.00 93.78 ? 69 ALA I O 1 ATOM 6671 C CB . ALA E 3 69 ? 231.674 65.163 -23.902 1.00 80.26 ? 69 ALA I CB 1 ATOM 6672 N N . GLU E 3 70 ? 234.248 65.381 -25.598 1.00 100.29 ? 70 GLU I N 1 ATOM 6673 C CA . GLU E 3 70 ? 235.182 65.059 -26.670 1.00 109.57 ? 70 GLU I CA 1 ATOM 6674 C C . GLU E 3 70 ? 234.778 63.788 -27.411 1.00 97.93 ? 70 GLU I C 1 ATOM 6675 O O . GLU E 3 70 ? 234.811 63.754 -28.647 1.00 101.91 ? 70 GLU I O 1 ATOM 6676 C CB . GLU E 3 70 ? 236.600 64.926 -26.103 1.00 124.17 ? 70 GLU I CB 1 ATOM 6677 C CG . GLU E 3 70 ? 236.966 65.979 -25.050 1.00 132.05 ? 70 GLU I CG 1 ATOM 6678 C CD . GLU E 3 70 ? 236.422 65.653 -23.662 1.00 134.15 ? 70 GLU I CD 1 ATOM 6679 O OE1 . GLU E 3 70 ? 236.416 64.459 -23.290 1.00 131.53 ? 70 GLU I OE1 1 ATOM 6680 O OE2 . GLU E 3 70 ? 235.984 66.588 -22.953 1.00 134.46 -1 70 GLU I OE2 1 ATOM 6681 N N . GLU E 3 71 ? 234.392 62.738 -26.682 1.00 85.00 ? 71 GLU I N 1 ATOM 6682 C CA . GLU E 3 71 ? 234.068 61.459 -27.306 1.00 92.30 ? 71 GLU I CA 1 ATOM 6683 C C . GLU E 3 71 ? 232.788 60.850 -26.745 1.00 92.02 ? 71 GLU I C 1 ATOM 6684 O O . GLU E 3 71 ? 231.867 60.523 -27.501 1.00 91.84 ? 71 GLU I O 1 ATOM 6685 C CB . GLU E 3 71 ? 235.233 60.476 -27.137 1.00 100.48 ? 71 GLU I CB 1 ATOM 6686 C CG . GLU E 3 71 ? 234.858 58.996 -27.267 1.00 107.20 ? 71 GLU I CG 1 ATOM 6687 C CD . GLU E 3 71 ? 234.343 58.620 -28.649 1.00 120.33 ? 71 GLU I CD 1 ATOM 6688 O OE1 . GLU E 3 71 ? 234.136 57.411 -28.897 1.00 123.40 ? 71 GLU I OE1 1 ATOM 6689 O OE2 . GLU E 3 71 ? 234.145 59.524 -29.487 1.00 126.92 -1 71 GLU I OE2 1 ATOM 6690 N N . GLU E 3 72 ? 232.732 60.678 -25.428 1.00 89.84 ? 72 GLU I N 1 ATOM 6691 C CA . GLU E 3 72 ? 231.604 60.064 -24.746 1.00 87.58 ? 72 GLU I CA 1 ATOM 6692 C C . GLU E 3 72 ? 230.931 61.075 -23.833 1.00 89.38 ? 72 GLU I C 1 ATOM 6693 O O . GLU E 3 72 ? 231.519 62.090 -23.452 1.00 88.63 ? 72 GLU I O 1 ATOM 6694 C CB . GLU E 3 72 ? 232.046 58.859 -23.908 1.00 96.30 ? 72 GLU I CB 1 ATOM 6695 C CG . GLU E 3 72 ? 232.373 57.607 -24.691 1.00 111.84 ? 72 GLU I CG 1 ATOM 6696 C CD . GLU E 3 72 ? 232.907 56.501 -23.798 1.00 120.61 ? 72 GLU I CD 1 ATOM 6697 O OE1 . GLU E 3 72 ? 233.287 56.796 -22.643 1.00 118.16 ? 72 GLU I OE1 1 ATOM 6698 O OE2 . GLU E 3 72 ? 232.944 55.336 -24.249 1.00 126.79 -1 72 GLU I OE2 1 ATOM 6699 N N . VAL E 3 73 ? 229.683 60.776 -23.471 1.00 80.14 ? 73 VAL I N 1 ATOM 6700 C CA . VAL E 3 73 ? 229.034 61.542 -22.420 1.00 69.38 ? 73 VAL I CA 1 ATOM 6701 C C . VAL E 3 73 ? 229.844 61.382 -21.141 1.00 65.66 ? 73 VAL I C 1 ATOM 6702 O O . VAL E 3 73 ? 230.254 60.271 -20.781 1.00 75.66 ? 73 VAL I O 1 ATOM 6703 C CB . VAL E 3 73 ? 227.574 61.093 -22.253 1.00 63.32 ? 73 VAL I CB 1 ATOM 6704 C CG1 . VAL E 3 73 ? 227.475 59.587 -22.374 1.00 86.59 ? 73 VAL I CG1 1 ATOM 6705 C CG2 . VAL E 3 73 ? 227.010 61.567 -20.920 1.00 50.55 ? 73 VAL I CG2 1 ATOM 6706 N N . VAL E 3 74 ? 230.122 62.503 -20.476 1.00 51.81 ? 74 VAL I N 1 ATOM 6707 C CA . VAL E 3 74 ? 230.969 62.542 -19.290 1.00 58.58 ? 74 VAL I CA 1 ATOM 6708 C C . VAL E 3 74 ? 230.200 63.228 -18.168 1.00 54.83 ? 74 VAL I C 1 ATOM 6709 O O . VAL E 3 74 ? 229.616 64.299 -18.372 1.00 61.59 ? 74 VAL I O 1 ATOM 6710 C CB . VAL E 3 74 ? 232.306 63.265 -19.562 1.00 61.41 ? 74 VAL I CB 1 ATOM 6711 C CG1 . VAL E 3 74 ? 232.083 64.471 -20.439 1.00 74.75 ? 74 VAL I CG1 1 ATOM 6712 C CG2 . VAL E 3 74 ? 232.959 63.692 -18.256 1.00 52.19 ? 74 VAL I CG2 1 ATOM 6713 N N . ILE E 3 75 ? 230.183 62.601 -16.994 1.00 54.78 ? 75 ILE I N 1 ATOM 6714 C CA . ILE E 3 75 ? 229.508 63.131 -15.816 1.00 48.94 ? 75 ILE I CA 1 ATOM 6715 C C . ILE E 3 75 ? 230.554 63.509 -14.775 1.00 54.51 ? 75 ILE I C 1 ATOM 6716 O O . ILE E 3 75 ? 231.590 62.850 -14.634 1.00 56.25 ? 75 ILE I O 1 ATOM 6717 C CB . ILE E 3 75 ? 228.488 62.120 -15.243 1.00 51.26 ? 75 ILE I CB 1 ATOM 6718 C CG1 . ILE E 3 75 ? 229.194 60.849 -14.767 1.00 52.13 ? 75 ILE I CG1 1 ATOM 6719 C CG2 . ILE E 3 75 ? 227.449 61.751 -16.289 1.00 51.89 ? 75 ILE I CG2 1 ATOM 6720 C CD1 . ILE E 3 75 ? 228.278 59.888 -14.054 1.00 58.00 ? 75 ILE I CD1 1 ATOM 6721 N N . ARG E 3 76 ? 230.283 64.586 -14.041 1.00 54.95 ? 76 ARG I N 1 ATOM 6722 C CA . ARG E 3 76 ? 231.198 65.045 -13.008 1.00 50.88 ? 76 ARG I CA 1 ATOM 6723 C C . ARG E 3 76 ? 230.407 65.515 -11.795 1.00 54.99 ? 76 ARG I C 1 ATOM 6724 O O . ARG E 3 76 ? 229.221 65.845 -11.888 1.00 47.57 ? 76 ARG I O 1 ATOM 6725 C CB . ARG E 3 76 ? 232.110 66.168 -13.521 1.00 58.27 ? 76 ARG I CB 1 ATOM 6726 C CG . ARG E 3 76 ? 233.232 65.694 -14.439 1.00 63.30 ? 76 ARG I CG 1 ATOM 6727 C CD . ARG E 3 76 ? 234.049 66.866 -14.957 1.00 68.25 ? 76 ARG I CD 1 ATOM 6728 N NE . ARG E 3 76 ? 233.374 67.536 -16.064 1.00 87.88 ? 76 ARG I NE 1 ATOM 6729 C CZ . ARG E 3 76 ? 233.726 67.414 -17.342 1.00 93.84 ? 76 ARG I CZ 1 ATOM 6730 N NH1 . ARG E 3 76 ? 234.762 66.655 -17.682 1.00 90.61 1 76 ARG I NH1 1 ATOM 6731 N NH2 . ARG E 3 76 ? 233.045 68.056 -18.283 1.00 85.03 ? 76 ARG I NH2 1 ATOM 6732 N N . SER E 3 77 ? 231.081 65.530 -10.646 1.00 49.33 ? 77 SER I N 1 ATOM 6733 C CA . SER E 3 77 ? 230.500 66.052 -9.420 1.00 46.60 ? 77 SER I CA 1 ATOM 6734 C C . SER E 3 77 ? 231.612 66.436 -8.458 1.00 49.81 ? 77 SER I C 1 ATOM 6735 O O . SER E 3 77 ? 232.684 65.828 -8.453 1.00 54.38 ? 77 SER I O 1 ATOM 6736 C CB . SER E 3 77 ? 229.571 65.044 -8.744 1.00 46.62 ? 77 SER I CB 1 ATOM 6737 O OG . SER E 3 77 ? 229.381 65.413 -7.389 1.00 41.72 ? 77 SER I OG 1 ATOM 6738 N N . GLU E 3 78 ? 231.332 67.446 -7.634 1.00 48.08 ? 78 GLU I N 1 ATOM 6739 C CA . GLU E 3 78 ? 232.288 67.854 -6.617 1.00 47.82 ? 78 GLU I CA 1 ATOM 6740 C C . GLU E 3 78 ? 232.425 66.789 -5.534 1.00 61.92 ? 78 GLU I C 1 ATOM 6741 O O . GLU E 3 78 ? 233.496 66.659 -4.928 1.00 60.96 ? 78 GLU I O 1 ATOM 6742 C CB . GLU E 3 78 ? 231.864 69.203 -6.027 1.00 60.29 ? 78 GLU I CB 1 ATOM 6743 C CG . GLU E 3 78 ? 232.886 69.859 -5.110 1.00 74.19 ? 78 GLU I CG 1 ATOM 6744 N N . ASP E 3 79 ? 231.367 66.004 -5.302 1.00 56.78 ? 79 ASP I N 1 ATOM 6745 C CA . ASP E 3 79 ? 231.381 64.951 -4.284 1.00 51.71 ? 79 ASP I CA 1 ATOM 6746 C C . ASP E 3 79 ? 230.226 63.999 -4.572 1.00 57.79 ? 79 ASP I C 1 ATOM 6747 O O . ASP E 3 79 ? 229.069 64.343 -4.316 1.00 65.21 ? 79 ASP I O 1 ATOM 6748 C CB . ASP E 3 79 ? 231.260 65.548 -2.888 1.00 50.30 ? 79 ASP I CB 1 ATOM 6749 C CG . ASP E 3 79 ? 231.442 64.513 -1.791 1.00 59.60 ? 79 ASP I CG 1 ATOM 6750 O OD1 . ASP E 3 79 ? 231.472 63.299 -2.102 1.00 56.97 ? 79 ASP I OD1 1 ATOM 6751 O OD2 . ASP E 3 79 ? 231.557 64.918 -0.614 1.00 64.62 -1 79 ASP I OD2 1 ATOM 6752 N N . TRP E 3 80 ? 230.536 62.803 -5.079 1.00 59.43 ? 80 TRP I N 1 ATOM 6753 C CA . TRP E 3 80 ? 229.480 61.867 -5.458 1.00 56.69 ? 80 TRP I CA 1 ATOM 6754 C C . TRP E 3 80 ? 228.646 61.429 -4.260 1.00 54.27 ? 80 TRP I C 1 ATOM 6755 O O . TRP E 3 80 ? 227.483 61.042 -4.423 1.00 54.33 ? 80 TRP I O 1 ATOM 6756 C CB . TRP E 3 80 ? 230.080 60.640 -6.147 1.00 56.45 ? 80 TRP I CB 1 ATOM 6757 C CG . TRP E 3 80 ? 230.799 60.956 -7.415 1.00 58.48 ? 80 TRP I CG 1 ATOM 6758 C CD1 . TRP E 3 80 ? 232.144 61.046 -7.588 1.00 56.83 ? 80 TRP I CD1 1 ATOM 6759 C CD2 . TRP E 3 80 ? 230.209 61.238 -8.690 1.00 62.34 ? 80 TRP I CD2 1 ATOM 6760 N NE1 . TRP E 3 80 ? 232.435 61.364 -8.890 1.00 64.77 ? 80 TRP I NE1 1 ATOM 6761 C CE2 . TRP E 3 80 ? 231.264 61.489 -9.589 1.00 66.77 ? 80 TRP I CE2 1 ATOM 6762 C CE3 . TRP E 3 80 ? 228.894 61.302 -9.158 1.00 61.11 ? 80 TRP I CE3 1 ATOM 6763 C CZ2 . TRP E 3 80 ? 231.047 61.799 -10.930 1.00 63.77 ? 80 TRP I CZ2 1 ATOM 6764 C CZ3 . TRP E 3 80 ? 228.679 61.610 -10.488 1.00 65.26 ? 80 TRP I CZ3 1 ATOM 6765 C CH2 . TRP E 3 80 ? 229.751 61.854 -11.361 1.00 65.56 ? 80 TRP I CH2 1 ATOM 6766 N N . ARG E 3 81 ? 229.218 61.481 -3.061 1.00 47.84 ? 81 ARG I N 1 ATOM 6767 C CA . ARG E 3 81 ? 228.587 60.989 -1.844 1.00 55.83 ? 81 ARG I CA 1 ATOM 6768 C C . ARG E 3 81 ? 227.697 62.025 -1.167 1.00 59.93 ? 81 ARG I C 1 ATOM 6769 O O . ARG E 3 81 ? 227.091 61.717 -0.135 1.00 68.82 ? 81 ARG I O 1 ATOM 6770 C CB . ARG E 3 81 ? 229.659 60.513 -0.849 1.00 52.19 ? 81 ARG I CB 1 ATOM 6771 C CG . ARG E 3 81 ? 230.360 59.207 -1.215 1.00 51.09 ? 81 ARG I CG 1 ATOM 6772 C CD . ARG E 3 81 ? 231.200 58.677 -0.047 1.00 54.09 ? 81 ARG I CD 1 ATOM 6773 N N . ASP E 3 82 ? 227.599 63.232 -1.717 1.00 46.69 ? 82 ASP I N 1 ATOM 6774 C CA . ASP E 3 82 ? 226.833 64.324 -1.130 1.00 47.61 ? 82 ASP I CA 1 ATOM 6775 C C . ASP E 3 82 ? 225.651 64.600 -2.051 1.00 42.53 ? 82 ASP I C 1 ATOM 6776 O O . ASP E 3 82 ? 225.814 65.247 -3.090 1.00 43.77 ? 82 ASP I O 1 ATOM 6777 C CB . ASP E 3 82 ? 227.714 65.566 -0.958 1.00 58.32 ? 82 ASP I CB 1 ATOM 6778 C CG . ASP E 3 82 ? 227.012 66.708 -0.214 1.00 68.31 ? 82 ASP I CG 1 ATOM 6779 O OD1 . ASP E 3 82 ? 225.764 66.748 -0.189 1.00 56.50 ? 82 ASP I OD1 1 ATOM 6780 O OD2 . ASP E 3 82 ? 227.723 67.575 0.346 1.00 74.96 -1 82 ASP I OD2 1 ATOM 6781 N N . ASN E 3 83 ? 224.454 64.140 -1.657 1.00 42.45 ? 83 ASN I N 1 ATOM 6782 C CA . ASN E 3 83 ? 223.282 64.356 -2.503 1.00 37.79 ? 83 ASN I CA 1 ATOM 6783 C C . ASN E 3 83 ? 222.917 65.834 -2.624 1.00 52.79 ? 83 ASN I C 1 ATOM 6784 O O . ASN E 3 83 ? 221.971 66.165 -3.349 1.00 60.00 ? 83 ASN I O 1 ATOM 6785 C CB . ASN E 3 83 ? 222.078 63.530 -2.008 1.00 40.74 ? 83 ASN I CB 1 ATOM 6786 C CG . ASN E 3 83 ? 221.518 63.998 -0.648 1.00 47.50 ? 83 ASN I CG 1 ATOM 6787 O OD1 . ASN E 3 83 ? 221.568 65.173 -0.295 1.00 62.18 ? 83 ASN I OD1 1 ATOM 6788 N ND2 . ASN E 3 83 ? 220.958 63.061 0.103 1.00 48.07 ? 83 ASN I ND2 1 ATOM 6789 N N . ALA E 3 84 ? 223.643 66.726 -1.942 1.00 48.32 ? 84 ALA I N 1 ATOM 6790 C CA . ALA E 3 84 ? 223.454 68.163 -2.092 1.00 53.55 ? 84 ALA I CA 1 ATOM 6791 C C . ALA E 3 84 ? 224.392 68.778 -3.125 1.00 49.91 ? 84 ALA I C 1 ATOM 6792 O O . ALA E 3 84 ? 224.288 69.979 -3.398 1.00 46.31 ? 84 ALA I O 1 ATOM 6793 C CB . ALA E 3 84 ? 223.639 68.872 -0.747 1.00 36.09 ? 84 ALA I CB 1 ATOM 6794 N N . LYS E 3 85 ? 225.309 67.998 -3.690 1.00 46.38 ? 85 LYS I N 1 ATOM 6795 C CA . LYS E 3 85 ? 226.120 68.461 -4.802 1.00 43.47 ? 85 LYS I CA 1 ATOM 6796 C C . LYS E 3 85 ? 225.519 67.936 -6.093 1.00 47.03 ? 85 LYS I C 1 ATOM 6797 O O . LYS E 3 85 ? 225.141 66.764 -6.186 1.00 44.47 ? 85 LYS I O 1 ATOM 6798 C CB . LYS E 3 85 ? 227.577 68.002 -4.675 1.00 41.32 ? 85 LYS I CB 1 ATOM 6799 C CG . LYS E 3 85 ? 228.339 68.649 -3.526 1.00 52.22 ? 85 LYS I CG 1 ATOM 6800 C CD . LYS E 3 85 ? 228.224 70.167 -3.566 1.00 51.72 ? 85 LYS I CD 1 ATOM 6801 C CE . LYS E 3 85 ? 229.062 70.818 -2.473 1.00 61.90 ? 85 LYS I CE 1 ATOM 6802 N NZ . LYS E 3 85 ? 230.515 70.781 -2.799 1.00 79.45 1 85 LYS I NZ 1 ATOM 6803 N N . SER E 3 86 ? 225.425 68.814 -7.086 1.00 44.06 ? 86 SER I N 1 ATOM 6804 C CA . SER E 3 86 ? 224.805 68.439 -8.340 1.00 45.87 ? 86 SER I CA 1 ATOM 6805 C C . SER E 3 86 ? 225.769 67.634 -9.211 1.00 47.86 ? 86 SER I C 1 ATOM 6806 O O . SER E 3 86 ? 226.987 67.613 -9.007 1.00 43.61 ? 86 SER I O 1 ATOM 6807 C CB . SER E 3 86 ? 224.312 69.677 -9.078 1.00 51.00 ? 86 SER I CB 1 ATOM 6808 O OG . SER E 3 86 ? 223.203 70.244 -8.399 1.00 50.53 ? 86 SER I OG 1 ATOM 6809 N N . ILE E 3 87 ? 225.193 66.950 -10.190 1.00 47.85 ? 87 ILE I N 1 ATOM 6810 C CA . ILE E 3 87 ? 225.927 66.079 -11.091 1.00 54.10 ? 87 ILE I CA 1 ATOM 6811 C C . ILE E 3 87 ? 225.862 66.720 -12.467 1.00 53.95 ? 87 ILE I C 1 ATOM 6812 O O . ILE E 3 87 ? 224.779 66.822 -13.057 1.00 54.30 ? 87 ILE I O 1 ATOM 6813 C CB . ILE E 3 87 ? 225.348 64.660 -11.091 1.00 57.12 ? 87 ILE I CB 1 ATOM 6814 C CG1 . ILE E 3 87 ? 225.450 64.083 -9.673 1.00 57.23 ? 87 ILE I CG1 1 ATOM 6815 C CG2 . ILE E 3 87 ? 226.061 63.776 -12.096 1.00 47.89 ? 87 ILE I CG2 1 ATOM 6816 C CD1 . ILE E 3 87 ? 224.813 62.729 -9.503 1.00 55.25 ? 87 ILE I CD1 1 ATOM 6817 N N . CYS E 3 88 ? 227.009 67.199 -12.955 1.00 55.33 ? 88 CYS I N 1 ATOM 6818 C CA . CYS E 3 88 ? 227.090 67.835 -14.265 1.00 58.48 ? 88 CYS I CA 1 ATOM 6819 C C . CYS E 3 88 ? 227.213 66.760 -15.326 1.00 54.51 ? 88 CYS I C 1 ATOM 6820 O O . CYS E 3 88 ? 228.135 65.939 -15.277 1.00 59.55 ? 88 CYS I O 1 ATOM 6821 C CB . CYS E 3 88 ? 228.283 68.784 -14.345 1.00 75.24 ? 88 CYS I CB 1 ATOM 6822 S SG . CYS E 3 88 ? 228.353 69.983 -13.004 1.00 113.70 ? 88 CYS I SG 1 ATOM 6823 N N . VAL E 3 89 ? 226.289 66.759 -16.280 1.00 41.45 ? 89 VAL I N 1 ATOM 6824 C CA . VAL E 3 89 ? 226.293 65.804 -17.382 1.00 50.81 ? 89 VAL I CA 1 ATOM 6825 C C . VAL E 3 89 ? 226.623 66.566 -18.656 1.00 52.09 ? 89 VAL I C 1 ATOM 6826 O O . VAL E 3 89 ? 225.865 67.452 -19.066 1.00 48.53 ? 89 VAL I O 1 ATOM 6827 C CB . VAL E 3 89 ? 224.945 65.080 -17.501 1.00 47.90 ? 89 VAL I CB 1 ATOM 6828 C CG1 . VAL E 3 89 ? 224.970 64.104 -18.652 1.00 60.94 ? 89 VAL I CG1 1 ATOM 6829 C CG2 . VAL E 3 89 ? 224.600 64.388 -16.188 1.00 36.10 ? 89 VAL I CG2 1 ATOM 6830 N N . GLN E 3 90 ? 227.757 66.247 -19.269 1.00 56.76 ? 90 GLN I N 1 ATOM 6831 C CA . GLN E 3 90 ? 228.154 66.865 -20.529 1.00 57.11 ? 90 GLN I CA 1 ATOM 6832 C C . GLN E 3 90 ? 227.920 65.875 -21.662 1.00 52.36 ? 90 GLN I C 1 ATOM 6833 O O . GLN E 3 90 ? 228.454 64.762 -21.640 1.00 51.29 ? 90 GLN I O 1 ATOM 6834 C CB . GLN E 3 90 ? 229.616 67.306 -20.497 1.00 50.86 ? 90 GLN I CB 1 ATOM 6835 C CG . GLN E 3 90 ? 230.000 68.147 -21.698 1.00 47.22 ? 90 GLN I CG 1 ATOM 6836 C CD . GLN E 3 90 ? 231.436 68.630 -21.639 1.00 60.11 ? 90 GLN I CD 1 ATOM 6837 O OE1 . GLN E 3 90 ? 232.354 67.852 -21.378 1.00 73.16 ? 90 GLN I OE1 1 ATOM 6838 N NE2 . GLN E 3 90 ? 231.637 69.921 -21.882 1.00 56.85 ? 90 GLN I NE2 1 ATOM 6839 N N . LEU E 3 91 ? 227.123 66.277 -22.643 1.00 46.52 ? 91 LEU I N 1 ATOM 6840 C CA . LEU E 3 91 ? 226.839 65.408 -23.773 1.00 54.52 ? 91 LEU I CA 1 ATOM 6841 C C . LEU E 3 91 ? 227.971 65.465 -24.788 1.00 59.69 ? 91 LEU I C 1 ATOM 6842 O O . LEU E 3 91 ? 228.703 66.454 -24.881 1.00 63.94 ? 91 LEU I O 1 ATOM 6843 C CB . LEU E 3 91 ? 225.532 65.813 -24.451 1.00 59.78 ? 91 LEU I CB 1 ATOM 6844 C CG . LEU E 3 91 ? 224.193 65.292 -23.937 1.00 57.95 ? 91 LEU I CG 1 ATOM 6845 C CD1 . LEU E 3 91 ? 224.277 64.839 -22.498 1.00 57.38 ? 91 LEU I CD1 1 ATOM 6846 C CD2 . LEU E 3 91 ? 223.148 66.389 -24.101 1.00 57.33 ? 91 LEU I CD2 1 ATOM 6847 N N . ALA E 3 92 ? 228.113 64.388 -25.556 1.00 57.35 ? 92 ALA I N 1 ATOM 6848 C CA . ALA E 3 92 ? 229.025 64.411 -26.691 1.00 61.50 ? 92 ALA I CA 1 ATOM 6849 C C . ALA E 3 92 ? 228.303 64.741 -27.986 1.00 65.42 ? 92 ALA I C 1 ATOM 6850 O O . ALA E 3 92 ? 228.897 65.349 -28.881 1.00 57.74 ? 92 ALA I O 1 ATOM 6851 C CB . ALA E 3 92 ? 229.753 63.071 -26.829 1.00 51.97 ? 92 ALA I CB 1 ATOM 6852 N N . THR E 3 93 ? 227.032 64.359 -28.092 1.00 71.09 ? 93 THR I N 1 ATOM 6853 C CA . THR E 3 93 ? 226.180 64.677 -29.230 1.00 69.79 ? 93 THR I CA 1 ATOM 6854 C C . THR E 3 93 ? 225.072 65.602 -28.748 1.00 69.37 ? 93 THR I C 1 ATOM 6855 O O . THR E 3 93 ? 224.333 65.256 -27.820 1.00 63.96 ? 93 THR I O 1 ATOM 6856 C CB . THR E 3 93 ? 225.580 63.411 -29.842 1.00 76.82 ? 93 THR I CB 1 ATOM 6857 O OG1 . THR E 3 93 ? 226.632 62.517 -30.224 1.00 96.13 ? 93 THR I OG1 1 ATOM 6858 C CG2 . THR E 3 93 ? 224.734 63.760 -31.063 1.00 70.79 ? 93 THR I CG2 1 ATOM 6859 N N . SER E 3 94 ? 224.961 66.771 -29.370 1.00 69.22 ? 94 SER I N 1 ATOM 6860 C CA . SER E 3 94 ? 223.924 67.706 -28.970 1.00 68.40 ? 94 SER I CA 1 ATOM 6861 C C . SER E 3 94 ? 222.553 67.197 -29.405 1.00 66.20 ? 94 SER I C 1 ATOM 6862 O O . SER E 3 94 ? 222.425 66.410 -30.344 1.00 68.34 ? 94 SER I O 1 ATOM 6863 C CB . SER E 3 94 ? 224.194 69.086 -29.562 1.00 68.94 ? 94 SER I CB 1 ATOM 6864 O OG . SER E 3 94 ? 224.341 69.012 -30.965 1.00 83.44 ? 94 SER I OG 1 ATOM 6865 N N . VAL E 3 95 ? 221.521 67.641 -28.696 1.00 65.54 ? 95 VAL I N 1 ATOM 6866 C CA . VAL E 3 95 ? 220.134 67.317 -29.015 1.00 62.92 ? 95 VAL I CA 1 ATOM 6867 C C . VAL E 3 95 ? 219.430 68.623 -29.350 1.00 57.97 ? 95 VAL I C 1 ATOM 6868 O O . VAL E 3 95 ? 219.250 69.482 -28.476 1.00 68.57 ? 95 VAL I O 1 ATOM 6869 C CB . VAL E 3 95 ? 219.426 66.596 -27.862 1.00 53.18 ? 95 VAL I CB 1 ATOM 6870 C CG1 . VAL E 3 95 ? 217.946 66.446 -28.176 1.00 49.39 ? 95 VAL I CG1 1 ATOM 6871 C CG2 . VAL E 3 95 ? 220.060 65.239 -27.618 1.00 51.42 ? 95 VAL I CG2 1 ATOM 6872 N N . GLU E 3 96 ? 219.032 68.779 -30.607 1.00 58.65 ? 96 GLU I N 1 ATOM 6873 C CA . GLU E 3 96 ? 218.402 70.021 -31.026 1.00 69.60 ? 96 GLU I CA 1 ATOM 6874 C C . GLU E 3 96 ? 217.016 70.139 -30.410 1.00 79.13 ? 96 GLU I C 1 ATOM 6875 O O . GLU E 3 96 ? 216.270 69.159 -30.317 1.00 84.89 ? 96 GLU I O 1 ATOM 6876 C CB . GLU E 3 96 ? 218.314 70.099 -32.551 1.00 51.60 ? 96 GLU I CB 1 ATOM 6877 N N . ILE E 3 97 ? 216.685 71.347 -29.966 1.00 78.71 ? 97 ILE I N 1 ATOM 6878 C CA . ILE E 3 97 ? 215.373 71.669 -29.423 1.00 76.34 ? 97 ILE I CA 1 ATOM 6879 C C . ILE E 3 97 ? 214.810 72.795 -30.283 1.00 73.04 ? 97 ILE I C 1 ATOM 6880 O O . ILE E 3 97 ? 215.355 73.907 -30.300 1.00 75.62 ? 97 ILE I O 1 ATOM 6881 C CB . ILE E 3 97 ? 215.444 72.049 -27.934 1.00 73.11 ? 97 ILE I CB 1 ATOM 6882 C CG1 . ILE E 3 97 ? 214.185 72.781 -27.479 1.00 65.82 ? 97 ILE I CG1 1 ATOM 6883 C CG2 . ILE E 3 97 ? 216.702 72.850 -27.618 1.00 79.48 ? 97 ILE I CG2 1 ATOM 6884 C CD1 . ILE E 3 97 ? 214.198 73.079 -25.999 1.00 60.94 ? 97 ILE I CD1 1 ATOM 6885 N N . ALA E 3 98 ? 213.741 72.498 -31.022 1.00 67.13 ? 98 ALA I N 1 ATOM 6886 C CA . ALA E 3 98 ? 213.202 73.392 -32.041 1.00 66.69 ? 98 ALA I CA 1 ATOM 6887 C C . ALA E 3 98 ? 211.997 74.150 -31.495 1.00 75.40 ? 98 ALA I C 1 ATOM 6888 O O . ALA E 3 98 ? 210.987 73.539 -31.128 1.00 74.55 ? 98 ALA I O 1 ATOM 6889 C CB . ALA E 3 98 ? 212.811 72.608 -33.294 1.00 62.04 ? 98 ALA I CB 1 ATOM 6890 N N . CYS E 3 99 ? 212.099 75.477 -31.462 1.00 84.41 ? 99 CYS I N 1 ATOM 6891 C CA . CYS E 3 99 ? 210.997 76.335 -31.047 1.00 90.11 ? 99 CYS I CA 1 ATOM 6892 C C . CYS E 3 99 ? 210.181 76.715 -32.273 1.00 92.42 ? 99 CYS I C 1 ATOM 6893 O O . CYS E 3 99 ? 210.715 77.294 -33.226 1.00 90.93 ? 99 CYS I O 1 ATOM 6894 C CB . CYS E 3 99 ? 211.512 77.591 -30.347 1.00 98.64 ? 99 CYS I CB 1 ATOM 6895 S SG . CYS E 3 99 ? 212.692 77.283 -29.024 1.00 96.90 ? 99 CYS I SG 1 ATOM 6896 N N . THR E 3 100 ? 208.888 76.397 -32.244 1.00 98.51 ? 100 THR I N 1 ATOM 6897 C CA . THR E 3 100 ? 208.013 76.728 -33.362 1.00 95.08 ? 100 THR I CA 1 ATOM 6898 C C . THR E 3 100 ? 207.519 78.169 -33.298 1.00 93.88 ? 100 THR I C 1 ATOM 6899 O O . THR E 3 100 ? 207.233 78.768 -34.340 1.00 96.09 ? 100 THR I O 1 ATOM 6900 C CB . THR E 3 100 ? 206.828 75.759 -33.396 1.00 92.22 ? 100 THR I CB 1 ATOM 6901 O OG1 . THR E 3 100 ? 205.904 76.155 -34.417 1.00 94.00 ? 100 THR I OG1 1 ATOM 6902 C CG2 . THR E 3 100 ? 206.112 75.735 -32.047 1.00 88.46 ? 100 THR I CG2 1 ATOM 6903 N N . GLY E 3 101 ? 207.430 78.745 -32.099 1.00 95.45 ? 101 GLY I N 1 ATOM 6904 C CA . GLY E 3 101 ? 206.879 80.068 -31.909 1.00 90.25 ? 101 GLY I CA 1 ATOM 6905 C C . GLY E 3 101 ? 205.434 80.085 -31.459 1.00 88.01 ? 101 GLY I C 1 ATOM 6906 O O . GLY E 3 101 ? 204.900 81.169 -31.185 1.00 74.86 ? 101 GLY I O 1 ATOM 6907 N N . ALA E 3 102 ? 204.792 78.920 -31.372 1.00 97.91 ? 102 ALA I N 1 ATOM 6908 C CA . ALA E 3 102 ? 203.395 78.822 -30.975 1.00 103.90 ? 102 ALA I CA 1 ATOM 6909 C C . ALA E 3 102 ? 203.205 78.655 -29.474 1.00 100.85 ? 102 ALA I C 1 ATOM 6910 O O . ALA E 3 102 ? 202.065 78.706 -29.001 1.00 103.84 ? 102 ALA I O 1 ATOM 6911 C CB . ALA E 3 102 ? 202.720 77.655 -31.705 1.00 106.45 ? 102 ALA I CB 1 ATOM 6912 N N . GLY E 3 103 ? 204.278 78.458 -28.713 1.00 87.34 ? 103 GLY I N 1 ATOM 6913 C CA . GLY E 3 103 ? 204.136 78.308 -27.280 1.00 78.76 ? 103 GLY I CA 1 ATOM 6914 C C . GLY E 3 103 ? 204.620 76.962 -26.788 1.00 78.88 ? 103 GLY I C 1 ATOM 6915 O O . GLY E 3 103 ? 204.268 76.523 -25.688 1.00 74.06 ? 103 GLY I O 1 ATOM 6916 N N . HIS E 3 104 ? 205.429 76.294 -27.602 1.00 77.74 ? 104 HIS I N 1 ATOM 6917 C CA . HIS E 3 104 ? 206.001 75.024 -27.189 1.00 83.93 ? 104 HIS I CA 1 ATOM 6918 C C . HIS E 3 104 ? 207.287 74.780 -27.959 1.00 90.39 ? 104 HIS I C 1 ATOM 6919 O O . HIS E 3 104 ? 207.450 75.241 -29.093 1.00 93.72 ? 104 HIS I O 1 ATOM 6920 C CB . HIS E 3 104 ? 205.014 73.865 -27.389 1.00 94.69 ? 104 HIS I CB 1 ATOM 6921 C CG . HIS E 3 104 ? 204.275 73.913 -28.689 1.00 108.62 ? 104 HIS I CG 1 ATOM 6922 N ND1 . HIS E 3 104 ? 203.047 74.525 -28.825 1.00 114.78 ? 104 HIS I ND1 1 ATOM 6923 C CD2 . HIS E 3 104 ? 204.586 73.420 -29.910 1.00 114.01 ? 104 HIS I CD2 1 ATOM 6924 C CE1 . HIS E 3 104 ? 202.636 74.410 -30.075 1.00 117.05 ? 104 HIS I CE1 1 ATOM 6925 N NE2 . HIS E 3 104 ? 203.551 73.744 -30.755 1.00 117.14 ? 104 HIS I NE2 1 ATOM 6926 N N . CYS E 3 105 ? 208.202 74.065 -27.311 1.00 91.89 ? 105 CYS I N 1 ATOM 6927 C CA . CYS E 3 105 ? 209.458 73.631 -27.902 1.00 84.71 ? 105 CYS I CA 1 ATOM 6928 C C . CYS E 3 105 ? 209.467 72.114 -27.990 1.00 75.27 ? 105 CYS I C 1 ATOM 6929 O O . CYS E 3 105 ? 209.038 71.428 -27.057 1.00 78.05 ? 105 CYS I O 1 ATOM 6930 C CB . CYS E 3 105 ? 210.651 74.107 -27.075 1.00 92.47 ? 105 CYS I CB 1 ATOM 6931 S SG . CYS E 3 105 ? 210.707 75.883 -26.854 1.00 100.45 ? 105 CYS I SG 1 ATOM 6932 N N . ALA E 3 106 ? 209.962 71.592 -29.105 1.00 71.16 ? 106 ALA I N 1 ATOM 6933 C CA . ALA E 3 106 ? 209.905 70.167 -29.391 1.00 67.42 ? 106 ALA I CA 1 ATOM 6934 C C . ALA E 3 106 ? 211.311 69.599 -29.515 1.00 71.59 ? 106 ALA I C 1 ATOM 6935 O O . ALA E 3 106 ? 212.205 70.246 -30.070 1.00 80.78 ? 106 ALA I O 1 ATOM 6936 C CB . ALA E 3 106 ? 209.114 69.903 -30.677 1.00 61.40 ? 106 ALA I CB 1 ATOM 6937 N N . ILE E 3 107 ? 211.501 68.388 -28.984 1.00 67.49 ? 107 ILE I N 1 ATOM 6938 C CA . ILE E 3 107 ? 212.734 67.625 -29.147 1.00 71.36 ? 107 ILE I CA 1 ATOM 6939 C C . ILE E 3 107 ? 212.368 66.221 -29.606 1.00 74.25 ? 107 ILE I C 1 ATOM 6940 O O . ILE E 3 107 ? 211.298 65.699 -29.277 1.00 79.57 ? 107 ILE I O 1 ATOM 6941 C CB . ILE E 3 107 ? 213.577 67.569 -27.850 1.00 74.41 ? 107 ILE I CB 1 ATOM 6942 C CG1 . ILE E 3 107 ? 212.813 66.858 -26.741 1.00 85.31 ? 107 ILE I CG1 1 ATOM 6943 C CG2 . ILE E 3 107 ? 213.940 68.952 -27.375 1.00 78.28 ? 107 ILE I CG2 1 ATOM 6944 C CD1 . ILE E 3 107 ? 213.245 65.438 -26.532 1.00 97.73 ? 107 ILE I CD1 1 ATOM 6945 N N . SER E 3 108 ? 213.269 65.603 -30.367 1.00 76.49 ? 108 SER I N 1 ATOM 6946 C CA . SER E 3 108 ? 213.006 64.270 -30.896 1.00 74.45 ? 108 SER I CA 1 ATOM 6947 C C . SER E 3 108 ? 213.019 63.237 -29.778 1.00 84.06 ? 108 SER I C 1 ATOM 6948 O O . SER E 3 108 ? 213.986 63.145 -29.013 1.00 82.78 ? 108 SER I O 1 ATOM 6949 C CB . SER E 3 108 ? 214.039 63.906 -31.956 1.00 73.84 ? 108 SER I CB 1 ATOM 6950 O OG . SER E 3 108 ? 213.793 62.610 -32.471 1.00 85.45 ? 108 SER I OG 1 ATOM 6951 N N . ARG E 3 109 ? 211.942 62.448 -29.692 1.00 83.73 ? 109 ARG I N 1 ATOM 6952 C CA . ARG E 3 109 ? 211.837 61.454 -28.627 1.00 75.50 ? 109 ARG I CA 1 ATOM 6953 C C . ARG E 3 109 ? 212.933 60.404 -28.745 1.00 74.83 ? 109 ARG I C 1 ATOM 6954 O O . ARG E 3 109 ? 213.488 59.958 -27.733 1.00 84.28 ? 109 ARG I O 1 ATOM 6955 C CB . ARG E 3 109 ? 210.458 60.791 -28.651 1.00 77.11 ? 109 ARG I CB 1 ATOM 6956 C CG . ARG E 3 109 ? 210.224 59.817 -27.498 1.00 67.48 ? 109 ARG I CG 1 ATOM 6957 C CD . ARG E 3 109 ? 208.797 59.282 -27.474 1.00 75.55 ? 109 ARG I CD 1 ATOM 6958 N NE . ARG E 3 109 ? 207.806 60.315 -27.170 1.00 84.88 ? 109 ARG I NE 1 ATOM 6959 C CZ . ARG E 3 109 ? 207.475 60.701 -25.939 1.00 85.63 ? 109 ARG I CZ 1 ATOM 6960 N NH1 . ARG E 3 109 ? 206.558 61.642 -25.762 1.00 84.08 1 109 ARG I NH1 1 ATOM 6961 N NH2 . ARG E 3 109 ? 208.066 60.152 -24.884 1.00 77.76 ? 109 ARG I NH2 1 ATOM 6962 N N . ALA E 3 110 ? 213.264 60.006 -29.973 1.00 77.35 ? 110 ALA I N 1 ATOM 6963 C CA . ALA E 3 110 ? 214.303 59.004 -30.180 1.00 79.80 ? 110 ALA I CA 1 ATOM 6964 C C . ALA E 3 110 ? 215.668 59.524 -29.740 1.00 80.48 ? 110 ALA I C 1 ATOM 6965 O O . ALA E 3 110 ? 216.395 58.840 -29.009 1.00 77.53 ? 110 ALA I O 1 ATOM 6966 C CB . ALA E 3 110 ? 214.329 58.580 -31.649 1.00 62.44 ? 110 ALA I CB 1 ATOM 6967 N N . LYS E 3 111 ? 216.033 60.735 -30.173 1.00 84.08 ? 111 LYS I N 1 ATOM 6968 C CA . LYS E 3 111 ? 217.335 61.288 -29.807 1.00 79.71 ? 111 LYS I CA 1 ATOM 6969 C C . LYS E 3 111 ? 217.470 61.438 -28.295 1.00 78.97 ? 111 LYS I C 1 ATOM 6970 O O . LYS E 3 111 ? 218.544 61.190 -27.733 1.00 85.03 ? 111 LYS I O 1 ATOM 6971 C CB . LYS E 3 111 ? 217.560 62.635 -30.503 1.00 79.54 ? 111 LYS I CB 1 ATOM 6972 C CG . LYS E 3 111 ? 218.116 62.566 -31.937 1.00 83.34 ? 111 LYS I CG 1 ATOM 6973 C CD . LYS E 3 111 ? 217.027 62.293 -32.972 1.00 87.54 ? 111 LYS I CD 1 ATOM 6974 C CE . LYS E 3 111 ? 217.274 63.047 -34.281 1.00 86.32 ? 111 LYS I CE 1 ATOM 6975 N NZ . LYS E 3 111 ? 216.129 62.914 -35.240 1.00 86.71 1 111 LYS I NZ 1 ATOM 6976 N N . TRP E 3 112 ? 216.387 61.827 -27.615 1.00 70.44 ? 112 TRP I N 1 ATOM 6977 C CA . TRP E 3 112 ? 216.452 62.026 -26.168 1.00 72.64 ? 112 TRP I CA 1 ATOM 6978 C C . TRP E 3 112 ? 216.599 60.703 -25.428 1.00 77.48 ? 112 TRP I C 1 ATOM 6979 O O . TRP E 3 112 ? 217.374 60.604 -24.468 1.00 73.76 ? 112 TRP I O 1 ATOM 6980 C CB . TRP E 3 112 ? 215.206 62.767 -25.684 1.00 68.92 ? 112 TRP I CB 1 ATOM 6981 C CG . TRP E 3 112 ? 215.275 63.204 -24.255 1.00 68.46 ? 112 TRP I CG 1 ATOM 6982 C CD1 . TRP E 3 112 ? 214.470 62.795 -23.230 1.00 69.52 ? 112 TRP I CD1 1 ATOM 6983 C CD2 . TRP E 3 112 ? 216.206 64.132 -23.689 1.00 66.20 ? 112 TRP I CD2 1 ATOM 6984 N NE1 . TRP E 3 112 ? 214.841 63.419 -22.059 1.00 62.41 ? 112 TRP I NE1 1 ATOM 6985 C CE2 . TRP E 3 112 ? 215.905 64.243 -22.315 1.00 59.42 ? 112 TRP I CE2 1 ATOM 6986 C CE3 . TRP E 3 112 ? 217.265 64.882 -24.212 1.00 64.85 ? 112 TRP I CE3 1 ATOM 6987 C CZ2 . TRP E 3 112 ? 216.622 65.074 -21.460 1.00 51.62 ? 112 TRP I CZ2 1 ATOM 6988 C CZ3 . TRP E 3 112 ? 217.977 65.705 -23.360 1.00 62.88 ? 112 TRP I CZ3 1 ATOM 6989 C CH2 . TRP E 3 112 ? 217.652 65.793 -21.999 1.00 59.05 ? 112 TRP I CH2 1 ATOM 6990 N N . ALA E 3 113 ? 215.855 59.678 -25.854 1.00 79.83 ? 113 ALA I N 1 ATOM 6991 C CA . ALA E 3 113 ? 215.948 58.375 -25.208 1.00 68.21 ? 113 ALA I CA 1 ATOM 6992 C C . ALA E 3 113 ? 217.347 57.787 -25.346 1.00 74.95 ? 113 ALA I C 1 ATOM 6993 O O . ALA E 3 113 ? 217.856 57.152 -24.415 1.00 87.79 ? 113 ALA I O 1 ATOM 6994 C CB . ALA E 3 113 ? 214.903 57.429 -25.797 1.00 61.81 ? 113 ALA I CB 1 ATOM 6995 N N . ASN E 3 114 ? 217.991 57.989 -26.498 1.00 71.29 ? 114 ASN I N 1 ATOM 6996 C CA . ASN E 3 114 ? 219.340 57.463 -26.669 1.00 81.64 ? 114 ASN I CA 1 ATOM 6997 C C . ASN E 3 114 ? 220.343 58.217 -25.809 1.00 79.43 ? 114 ASN I C 1 ATOM 6998 O O . ASN E 3 114 ? 221.291 57.614 -25.294 1.00 89.01 ? 114 ASN I O 1 ATOM 6999 C CB . ASN E 3 114 ? 219.753 57.518 -28.139 1.00 91.50 ? 114 ASN I CB 1 ATOM 7000 C CG . ASN E 3 114 ? 221.188 57.083 -28.353 1.00 99.13 ? 114 ASN I CG 1 ATOM 7001 O OD1 . ASN E 3 114 ? 222.086 57.917 -28.475 1.00 107.98 ? 114 ASN I OD1 1 ATOM 7002 N ND2 . ASN E 3 114 ? 221.415 55.773 -28.389 1.00 96.06 ? 114 ASN I ND2 1 ATOM 7003 N N . THR E 3 115 ? 220.150 59.525 -25.642 1.00 72.46 ? 115 THR I N 1 ATOM 7004 C CA . THR E 3 115 ? 220.990 60.290 -24.729 1.00 72.02 ? 115 THR I CA 1 ATOM 7005 C C . THR E 3 115 ? 220.818 59.800 -23.294 1.00 70.51 ? 115 THR I C 1 ATOM 7006 O O . THR E 3 115 ? 221.805 59.553 -22.592 1.00 65.67 ? 115 THR I O 1 ATOM 7007 C CB . THR E 3 115 ? 220.659 61.781 -24.848 1.00 63.60 ? 115 THR I CB 1 ATOM 7008 O OG1 . THR E 3 115 ? 220.705 62.169 -26.226 1.00 73.73 ? 115 THR I OG1 1 ATOM 7009 C CG2 . THR E 3 115 ? 221.658 62.630 -24.071 1.00 50.66 ? 115 THR I CG2 1 ATOM 7010 N N . LEU E 3 116 ? 219.565 59.636 -22.850 1.00 70.23 ? 116 LEU I N 1 ATOM 7011 C CA . LEU E 3 116 ? 219.303 59.165 -21.490 1.00 70.29 ? 116 LEU I CA 1 ATOM 7012 C C . LEU E 3 116 ? 219.939 57.802 -21.238 1.00 72.46 ? 116 LEU I C 1 ATOM 7013 O O . LEU E 3 116 ? 220.476 57.552 -20.152 1.00 75.28 ? 116 LEU I O 1 ATOM 7014 C CB . LEU E 3 116 ? 217.795 59.104 -21.240 1.00 68.69 ? 116 LEU I CB 1 ATOM 7015 C CG . LEU E 3 116 ? 217.136 60.235 -20.447 1.00 68.98 ? 116 LEU I CG 1 ATOM 7016 C CD1 . LEU E 3 116 ? 217.598 61.583 -20.944 1.00 73.51 ? 116 LEU I CD1 1 ATOM 7017 C CD2 . LEU E 3 116 ? 215.619 60.128 -20.536 1.00 67.21 ? 116 LEU I CD2 1 ATOM 7018 N N . LYS E 3 117 ? 219.888 56.910 -22.233 1.00 72.08 ? 117 LYS I N 1 ATOM 7019 C CA . LYS E 3 117 ? 220.498 55.589 -22.094 1.00 67.50 ? 117 LYS I CA 1 ATOM 7020 C C . LYS E 3 117 ? 222.004 55.690 -21.866 1.00 73.10 ? 117 LYS I C 1 ATOM 7021 O O . LYS E 3 117 ? 222.576 54.915 -21.089 1.00 70.42 ? 117 LYS I O 1 ATOM 7022 C CB . LYS E 3 117 ? 220.191 54.748 -23.334 1.00 60.16 ? 117 LYS I CB 1 ATOM 7023 C CG . LYS E 3 117 ? 220.791 53.342 -23.324 1.00 58.38 ? 117 LYS I CG 1 ATOM 7024 N N . GLN E 3 118 ? 222.666 56.640 -22.535 1.00 78.64 ? 118 GLN I N 1 ATOM 7025 C CA . GLN E 3 118 ? 224.099 56.830 -22.326 1.00 73.71 ? 118 GLN I CA 1 ATOM 7026 C C . GLN E 3 118 ? 224.377 57.499 -20.987 1.00 71.52 ? 118 GLN I C 1 ATOM 7027 O O . GLN E 3 118 ? 225.366 57.179 -20.318 1.00 83.80 ? 118 GLN I O 1 ATOM 7028 C CB . GLN E 3 118 ? 224.692 57.661 -23.461 1.00 61.20 ? 118 GLN I CB 1 ATOM 7029 C CG . GLN E 3 118 ? 224.460 57.106 -24.845 1.00 65.59 ? 118 GLN I CG 1 ATOM 7030 C CD . GLN E 3 118 ? 224.879 58.088 -25.918 1.00 72.07 ? 118 GLN I CD 1 ATOM 7031 O OE1 . GLN E 3 118 ? 226.014 58.571 -25.930 1.00 70.43 ? 118 GLN I OE1 1 ATOM 7032 N NE2 . GLN E 3 118 ? 223.956 58.408 -26.815 1.00 72.97 ? 118 GLN I NE2 1 ATOM 7033 N N . ILE E 3 119 ? 223.528 58.447 -20.592 1.00 65.90 ? 119 ILE I N 1 ATOM 7034 C CA . ILE E 3 119 ? 223.646 59.047 -19.267 1.00 63.61 ? 119 ILE I CA 1 ATOM 7035 C C . ILE E 3 119 ? 223.454 57.989 -18.192 1.00 68.74 ? 119 ILE I C 1 ATOM 7036 O O . ILE E 3 119 ? 224.203 57.929 -17.210 1.00 70.16 ? 119 ILE I O 1 ATOM 7037 C CB . ILE E 3 119 ? 222.631 60.190 -19.108 1.00 54.93 ? 119 ILE I CB 1 ATOM 7038 C CG1 . ILE E 3 119 ? 222.965 61.317 -20.084 1.00 50.28 ? 119 ILE I CG1 1 ATOM 7039 C CG2 . ILE E 3 119 ? 222.595 60.669 -17.660 1.00 53.21 ? 119 ILE I CG2 1 ATOM 7040 C CD1 . ILE E 3 119 ? 221.989 62.457 -20.044 1.00 47.34 ? 119 ILE I CD1 1 ATOM 7041 N N . ALA E 3 120 ? 222.439 57.140 -18.361 1.00 68.95 ? 120 ALA I N 1 ATOM 7042 C CA . ALA E 3 120 ? 222.182 56.099 -17.376 1.00 65.58 ? 120 ALA I CA 1 ATOM 7043 C C . ALA E 3 120 ? 223.359 55.141 -17.281 1.00 65.21 ? 120 ALA I C 1 ATOM 7044 O O . ALA E 3 120 ? 223.746 54.726 -16.182 1.00 59.69 ? 120 ALA I O 1 ATOM 7045 C CB . ALA E 3 120 ? 220.898 55.348 -17.725 1.00 60.83 ? 120 ALA I CB 1 ATOM 7046 N N . SER E 3 121 ? 223.957 54.797 -18.423 1.00 63.73 ? 121 SER I N 1 ATOM 7047 C CA . SER E 3 121 ? 225.091 53.880 -18.410 1.00 64.83 ? 121 SER I CA 1 ATOM 7048 C C . SER E 3 121 ? 226.278 54.478 -17.662 1.00 66.99 ? 121 SER I C 1 ATOM 7049 O O . SER E 3 121 ? 226.989 53.765 -16.945 1.00 68.69 ? 121 SER I O 1 ATOM 7050 C CB . SER E 3 121 ? 225.479 53.512 -19.841 1.00 65.08 ? 121 SER I CB 1 ATOM 7051 O OG . SER E 3 121 ? 226.479 52.511 -19.847 1.00 73.18 ? 121 SER I OG 1 ATOM 7052 N N . LYS E 3 122 ? 226.506 55.787 -17.811 1.00 66.23 ? 122 LYS I N 1 ATOM 7053 C CA . LYS E 3 122 ? 227.596 56.432 -17.084 1.00 64.66 ? 122 LYS I CA 1 ATOM 7054 C C . LYS E 3 122 ? 227.244 56.617 -15.612 1.00 71.18 ? 122 LYS I C 1 ATOM 7055 O O . LYS E 3 122 ? 228.117 56.512 -14.741 1.00 69.84 ? 122 LYS I O 1 ATOM 7056 C CB . LYS E 3 122 ? 227.941 57.777 -17.729 1.00 66.57 ? 122 LYS I CB 1 ATOM 7057 C CG . LYS E 3 122 ? 228.676 57.670 -19.059 1.00 68.50 ? 122 LYS I CG 1 ATOM 7058 C CD . LYS E 3 122 ? 230.009 56.954 -18.891 1.00 73.31 ? 122 LYS I CD 1 ATOM 7059 C CE . LYS E 3 122 ? 230.693 56.726 -20.229 1.00 68.62 ? 122 LYS I CE 1 ATOM 7060 N N . LEU E 3 123 ? 225.972 56.905 -15.317 1.00 74.48 ? 123 LEU I N 1 ATOM 7061 C CA . LEU E 3 123 ? 225.520 56.958 -13.929 1.00 66.98 ? 123 LEU I CA 1 ATOM 7062 C C . LEU E 3 123 ? 225.561 55.582 -13.280 1.00 73.12 ? 123 LEU I C 1 ATOM 7063 O O . LEU E 3 123 ? 225.894 55.455 -12.095 1.00 68.15 ? 123 LEU I O 1 ATOM 7064 C CB . LEU E 3 123 ? 224.105 57.522 -13.856 1.00 52.83 ? 123 LEU I CB 1 ATOM 7065 C CG . LEU E 3 123 ? 223.979 59.023 -14.031 1.00 47.29 ? 123 LEU I CG 1 ATOM 7066 C CD1 . LEU E 3 123 ? 222.508 59.403 -14.043 1.00 51.59 ? 123 LEU I CD1 1 ATOM 7067 C CD2 . LEU E 3 123 ? 224.715 59.713 -12.896 1.00 40.79 ? 123 LEU I CD2 1 ATOM 7068 N N . ARG E 3 124 ? 225.209 54.544 -14.042 1.00 73.70 ? 124 ARG I N 1 ATOM 7069 C CA . ARG E 3 124 ? 225.174 53.192 -13.498 1.00 71.56 ? 124 ARG I CA 1 ATOM 7070 C C . ARG E 3 124 ? 226.562 52.743 -13.055 1.00 78.22 ? 124 ARG I C 1 ATOM 7071 O O . ARG E 3 124 ? 226.707 52.074 -12.025 1.00 83.23 ? 124 ARG I O 1 ATOM 7072 C CB . ARG E 3 124 ? 224.592 52.235 -14.542 1.00 69.75 ? 124 ARG I CB 1 ATOM 7073 C CG . ARG E 3 124 ? 224.288 50.838 -14.042 1.00 76.73 ? 124 ARG I CG 1 ATOM 7074 C CD . ARG E 3 124 ? 223.780 49.932 -15.167 1.00 84.95 ? 124 ARG I CD 1 ATOM 7075 N NE . ARG E 3 124 ? 222.436 50.294 -15.612 1.00 93.43 ? 124 ARG I NE 1 ATOM 7076 C CZ . ARG E 3 124 ? 222.164 50.921 -16.754 1.00 98.96 ? 124 ARG I CZ 1 ATOM 7077 N NH1 . ARG E 3 124 ? 223.148 51.252 -17.580 1.00 103.33 1 124 ARG I NH1 1 ATOM 7078 N NH2 . ARG E 3 124 ? 220.909 51.213 -17.074 1.00 92.92 ? 124 ARG I NH2 1 ATOM 7079 N N . GLU E 3 125 ? 227.598 53.122 -13.806 1.00 74.40 ? 125 GLU I N 1 ATOM 7080 C CA . GLU E 3 125 ? 228.956 52.725 -13.458 1.00 76.80 ? 125 GLU I CA 1 ATOM 7081 C C . GLU E 3 125 ? 229.540 53.563 -12.331 1.00 75.06 ? 125 GLU I C 1 ATOM 7082 O O . GLU E 3 125 ? 230.467 53.107 -11.655 1.00 80.38 ? 125 GLU I O 1 ATOM 7083 C CB . GLU E 3 125 ? 229.873 52.809 -14.685 1.00 87.51 ? 125 GLU I CB 1 ATOM 7084 C CG . GLU E 3 125 ? 230.397 54.209 -14.985 1.00 96.35 ? 125 GLU I CG 1 ATOM 7085 C CD . GLU E 3 125 ? 231.514 54.211 -16.011 1.00 108.25 ? 125 GLU I CD 1 ATOM 7086 O OE1 . GLU E 3 125 ? 231.824 55.294 -16.557 1.00 112.30 ? 125 GLU I OE1 1 ATOM 7087 O OE2 . GLU E 3 125 ? 232.084 53.128 -16.272 1.00 111.59 -1 125 GLU I OE2 1 ATOM 7088 N N . GLN E 3 126 ? 229.021 54.772 -12.105 1.00 77.16 ? 126 GLN I N 1 ATOM 7089 C CA . GLN E 3 126 ? 229.566 55.627 -11.057 1.00 71.95 ? 126 GLN I CA 1 ATOM 7090 C C . GLN E 3 126 ? 229.003 55.270 -9.687 1.00 74.52 ? 126 GLN I C 1 ATOM 7091 O O . GLN E 3 126 ? 229.724 55.313 -8.685 1.00 67.31 ? 126 GLN I O 1 ATOM 7092 C CB . GLN E 3 126 ? 229.286 57.092 -11.381 1.00 73.59 ? 126 GLN I CB 1 ATOM 7093 C CG . GLN E 3 126 ? 229.841 58.071 -10.362 1.00 75.05 ? 126 GLN I CG 1 ATOM 7094 C CD . GLN E 3 126 ? 231.349 58.027 -10.276 1.00 70.74 ? 126 GLN I CD 1 ATOM 7095 O OE1 . GLN E 3 126 ? 232.043 58.263 -11.263 1.00 75.07 ? 126 GLN I OE1 1 ATOM 7096 N NE2 . GLN E 3 126 ? 231.867 57.723 -9.091 1.00 67.80 ? 126 GLN I NE2 1 ATOM 7097 N N . TYR E 3 127 ? 227.721 54.920 -9.620 1.00 80.24 ? 127 TYR I N 1 ATOM 7098 C CA . TYR E 3 127 ? 227.082 54.563 -8.362 1.00 76.21 ? 127 TYR I CA 1 ATOM 7099 C C . TYR E 3 127 ? 226.947 53.059 -8.173 1.00 86.76 ? 127 TYR I C 1 ATOM 7100 O O . TYR E 3 127 ? 226.333 52.624 -7.193 1.00 90.89 ? 127 TYR I O 1 ATOM 7101 C CB . TYR E 3 127 ? 225.710 55.239 -8.260 1.00 68.12 ? 127 TYR I CB 1 ATOM 7102 C CG . TYR E 3 127 ? 225.815 56.720 -7.963 1.00 57.72 ? 127 TYR I CG 1 ATOM 7103 C CD1 . TYR E 3 127 ? 226.147 57.159 -6.692 1.00 57.84 ? 127 TYR I CD1 1 ATOM 7104 C CD2 . TYR E 3 127 ? 225.600 57.676 -8.952 1.00 58.44 ? 127 TYR I CD2 1 ATOM 7105 C CE1 . TYR E 3 127 ? 226.260 58.505 -6.403 1.00 63.25 ? 127 TYR I CE1 1 ATOM 7106 C CE2 . TYR E 3 127 ? 225.706 59.040 -8.667 1.00 60.42 ? 127 TYR I CE2 1 ATOM 7107 C CZ . TYR E 3 127 ? 226.038 59.441 -7.386 1.00 64.42 ? 127 TYR I CZ 1 ATOM 7108 O OH . TYR E 3 127 ? 226.158 60.773 -7.061 1.00 67.91 ? 127 TYR I OH 1 ATOM 7109 N N . GLY E 3 128 ? 227.517 52.262 -9.076 1.00 89.71 ? 128 GLY I N 1 ATOM 7110 C CA . GLY E 3 128 ? 227.478 50.814 -8.954 1.00 88.60 ? 128 GLY I CA 1 ATOM 7111 C C . GLY E 3 128 ? 226.091 50.237 -8.789 1.00 97.60 ? 128 GLY I C 1 ATOM 7112 O O . GLY E 3 128 ? 225.920 49.244 -8.072 1.00 114.47 ? 128 GLY I O 1 ATOM 7113 N N . ALA E 3 129 ? 225.090 50.833 -9.426 1.00 92.09 ? 129 ALA I N 1 ATOM 7114 C CA . ALA E 3 129 ? 223.722 50.367 -9.288 1.00 97.65 ? 129 ALA I CA 1 ATOM 7115 C C . ALA E 3 129 ? 223.340 49.503 -10.485 1.00 107.81 ? 129 ALA I C 1 ATOM 7116 O O . ALA E 3 129 ? 224.161 49.187 -11.349 1.00 106.20 ? 129 ALA I O 1 ATOM 7117 C CB . ALA E 3 129 ? 222.760 51.546 -9.129 1.00 82.72 ? 129 ALA I CB 1 ATOM 7118 N N . LYS E 3 130 ? 222.075 49.107 -10.523 1.00 116.69 ? 130 LYS I N 1 ATOM 7119 C CA . LYS E 3 130 ? 221.517 48.345 -11.630 1.00 114.93 ? 130 LYS I CA 1 ATOM 7120 C C . LYS E 3 130 ? 220.398 49.081 -12.349 1.00 113.48 ? 130 LYS I C 1 ATOM 7121 O O . LYS E 3 130 ? 220.291 48.982 -13.574 1.00 123.70 ? 130 LYS I O 1 ATOM 7122 C CB . LYS E 3 130 ? 221.002 46.986 -11.129 1.00 104.79 ? 130 LYS I CB 1 ATOM 7123 N N . THR E 3 131 ? 219.569 49.830 -11.626 1.00 95.14 ? 131 THR I N 1 ATOM 7124 C CA . THR E 3 131 ? 218.448 50.554 -12.211 1.00 82.55 ? 131 THR I CA 1 ATOM 7125 C C . THR E 3 131 ? 218.623 52.047 -11.969 1.00 81.58 ? 131 THR I C 1 ATOM 7126 O O . THR E 3 131 ? 218.933 52.467 -10.849 1.00 89.62 ? 131 THR I O 1 ATOM 7127 C CB . THR E 3 131 ? 217.113 50.075 -11.628 1.00 67.29 ? 131 THR I CB 1 ATOM 7128 O OG1 . THR E 3 131 ? 216.927 48.687 -11.928 1.00 72.65 ? 131 THR I OG1 1 ATOM 7129 C CG2 . THR E 3 131 ? 215.956 50.869 -12.213 1.00 56.56 ? 131 THR I CG2 1 ATOM 7130 N N . ILE E 3 132 ? 218.430 52.841 -13.018 1.00 67.90 ? 132 ILE I N 1 ATOM 7131 C CA . ILE E 3 132 ? 218.518 54.294 -12.953 1.00 60.15 ? 132 ILE I CA 1 ATOM 7132 C C . ILE E 3 132 ? 217.166 54.853 -13.373 1.00 65.15 ? 132 ILE I C 1 ATOM 7133 O O . ILE E 3 132 ? 216.711 54.614 -14.501 1.00 56.47 ? 132 ILE I O 1 ATOM 7134 C CB . ILE E 3 132 ? 219.637 54.845 -13.853 1.00 62.74 ? 132 ILE I CB 1 ATOM 7135 C CG1 . ILE E 3 132 ? 220.960 54.116 -13.600 1.00 55.46 ? 132 ILE I CG1 1 ATOM 7136 C CG2 . ILE E 3 132 ? 219.802 56.342 -13.642 1.00 68.23 ? 132 ILE I CG2 1 ATOM 7137 C CD1 . ILE E 3 132 ? 221.561 54.377 -12.245 1.00 53.11 ? 132 ILE I CD1 1 ATOM 7138 N N . ILE E 3 133 ? 216.526 55.595 -12.475 1.00 68.97 ? 133 ILE I N 1 ATOM 7139 C CA . ILE E 3 133 ? 215.230 56.210 -12.737 1.00 65.46 ? 133 ILE I CA 1 ATOM 7140 C C . ILE E 3 133 ? 215.419 57.715 -12.816 1.00 64.51 ? 133 ILE I C 1 ATOM 7141 O O . ILE E 3 133 ? 216.060 58.315 -11.944 1.00 68.73 ? 133 ILE I O 1 ATOM 7142 C CB . ILE E 3 133 ? 214.198 55.857 -11.655 1.00 63.55 ? 133 ILE I CB 1 ATOM 7143 C CG1 . ILE E 3 133 ? 214.112 54.346 -11.462 1.00 57.91 ? 133 ILE I CG1 1 ATOM 7144 C CG2 . ILE E 3 133 ? 212.832 56.421 -12.018 1.00 59.43 ? 133 ILE I CG2 1 ATOM 7145 C CD1 . ILE E 3 133 ? 213.264 53.955 -10.272 1.00 50.62 ? 133 ILE I CD1 1 ATOM 7146 N N . PHE E 3 134 ? 214.865 58.320 -13.859 1.00 62.72 ? 134 PHE I N 1 ATOM 7147 C CA . PHE E 3 134 ? 214.765 59.766 -13.967 1.00 59.94 ? 134 PHE I CA 1 ATOM 7148 C C . PHE E 3 134 ? 213.344 60.180 -13.614 1.00 59.92 ? 134 PHE I C 1 ATOM 7149 O O . PHE E 3 134 ? 212.379 59.622 -14.146 1.00 57.76 ? 134 PHE I O 1 ATOM 7150 C CB . PHE E 3 134 ? 215.129 60.242 -15.373 1.00 58.38 ? 134 PHE I CB 1 ATOM 7151 C CG . PHE E 3 134 ? 216.553 59.973 -15.751 1.00 58.71 ? 134 PHE I CG 1 ATOM 7152 C CD1 . PHE E 3 134 ? 217.576 60.747 -15.232 1.00 54.73 ? 134 PHE I CD1 1 ATOM 7153 C CD2 . PHE E 3 134 ? 216.870 58.956 -16.633 1.00 58.22 ? 134 PHE I CD2 1 ATOM 7154 C CE1 . PHE E 3 134 ? 218.892 60.505 -15.574 1.00 51.41 ? 134 PHE I CE1 1 ATOM 7155 C CE2 . PHE E 3 134 ? 218.183 58.711 -16.981 1.00 57.80 ? 134 PHE I CE2 1 ATOM 7156 C CZ . PHE E 3 134 ? 219.196 59.487 -16.450 1.00 53.78 ? 134 PHE I CZ 1 ATOM 7157 N N . LYS E 3 135 ? 213.221 61.134 -12.705 1.00 53.69 ? 135 LYS I N 1 ATOM 7158 C CA . LYS E 3 135 ? 211.937 61.658 -12.282 1.00 50.33 ? 135 LYS I CA 1 ATOM 7159 C C . LYS E 3 135 ? 211.923 63.170 -12.448 1.00 53.62 ? 135 LYS I C 1 ATOM 7160 O O . LYS E 3 135 ? 212.983 63.809 -12.520 1.00 47.36 ? 135 LYS I O 1 ATOM 7161 C CB . LYS E 3 135 ? 211.640 61.276 -10.824 1.00 47.91 ? 135 LYS I CB 1 ATOM 7162 C CG . LYS E 3 135 ? 211.302 59.800 -10.630 1.00 46.47 ? 135 LYS I CG 1 ATOM 7163 C CD . LYS E 3 135 ? 210.753 59.545 -9.243 1.00 44.56 ? 135 LYS I CD 1 ATOM 7164 C CE . LYS E 3 135 ? 210.525 58.074 -8.995 1.00 50.96 ? 135 LYS I CE 1 ATOM 7165 N NZ . LYS E 3 135 ? 209.897 57.836 -7.656 1.00 66.51 1 135 LYS I NZ 1 ATOM 7166 N N . PRO E 3 136 ? 210.743 63.777 -12.532 1.00 52.01 ? 136 PRO I N 1 ATOM 7167 C CA . PRO E 3 136 ? 210.686 65.232 -12.726 1.00 52.33 ? 136 PRO I CA 1 ATOM 7168 C C . PRO E 3 136 ? 211.198 66.009 -11.521 1.00 57.95 ? 136 PRO I C 1 ATOM 7169 O O . PRO E 3 136 ? 211.622 65.423 -10.520 1.00 63.92 ? 136 PRO I O 1 ATOM 7170 C CB . PRO E 3 136 ? 209.194 65.493 -12.982 1.00 49.32 ? 136 PRO I CB 1 ATOM 7171 C CG . PRO E 3 136 ? 208.489 64.325 -12.410 1.00 51.68 ? 136 PRO I CG 1 ATOM 7172 C CD . PRO E 3 136 ? 209.406 63.158 -12.574 1.00 49.36 ? 136 PRO I CD 1 ATOM 7173 N N . SER E 3 137 ? 211.160 67.335 -11.615 1.00 51.19 ? 137 SER I N 1 ATOM 7174 C CA . SER E 3 137 ? 211.724 68.186 -10.580 1.00 41.30 ? 137 SER I CA 1 ATOM 7175 C C . SER E 3 137 ? 210.963 68.037 -9.267 1.00 51.61 ? 137 SER I C 1 ATOM 7176 O O . SER E 3 137 ? 209.755 67.794 -9.245 1.00 60.08 ? 137 SER I O 1 ATOM 7177 C CB . SER E 3 137 ? 211.703 69.646 -11.025 1.00 34.44 ? 137 SER I CB 1 ATOM 7178 O OG . SER E 3 137 ? 212.004 70.505 -9.939 1.00 43.85 ? 137 SER I OG 1 ATOM 7179 N N . SER E 3 138 ? 211.690 68.194 -8.161 1.00 50.08 ? 138 SER I N 1 ATOM 7180 C CA . SER E 3 138 ? 211.083 68.121 -6.839 1.00 48.64 ? 138 SER I CA 1 ATOM 7181 C C . SER E 3 138 ? 210.281 69.370 -6.490 1.00 45.33 ? 138 SER I C 1 ATOM 7182 O O . SER E 3 138 ? 209.558 69.365 -5.489 1.00 45.17 ? 138 SER I O 1 ATOM 7183 C CB . SER E 3 138 ? 212.163 67.882 -5.776 1.00 42.72 ? 138 SER I CB 1 ATOM 7184 O OG . SER E 3 138 ? 211.583 67.594 -4.515 1.00 48.50 ? 138 SER I OG 1 ATOM 7185 N N . GLY E 3 139 ? 210.383 70.423 -7.286 1.00 45.79 ? 139 GLY I N 1 ATOM 7186 C CA . GLY E 3 139 ? 209.711 71.678 -7.033 1.00 45.77 ? 139 GLY I CA 1 ATOM 7187 C C . GLY E 3 139 ? 210.706 72.813 -6.949 1.00 55.41 ? 139 GLY I C 1 ATOM 7188 O O . GLY E 3 139 ? 211.905 72.649 -7.194 1.00 50.72 ? 139 GLY I O 1 ATOM 7189 N N . GLY E 3 140 ? 210.194 73.987 -6.595 1.00 56.31 ? 140 GLY I N 1 ATOM 7190 C CA . GLY E 3 140 ? 211.010 75.167 -6.436 1.00 44.15 ? 140 GLY I CA 1 ATOM 7191 C C . GLY E 3 140 ? 210.422 76.333 -7.185 1.00 46.95 ? 140 GLY I C 1 ATOM 7192 O O . GLY E 3 140 ? 209.288 76.286 -7.673 1.00 52.07 ? 140 GLY I O 1 ATOM 7193 N N . ASP E 3 141 ? 211.210 77.402 -7.276 1.00 48.34 ? 141 ASP I N 1 ATOM 7194 C CA . ASP E 3 141 ? 210.783 78.606 -7.959 1.00 43.32 ? 141 ASP I CA 1 ATOM 7195 C C . ASP E 3 141 ? 210.698 78.362 -9.462 1.00 48.80 ? 141 ASP I C 1 ATOM 7196 O O . ASP E 3 141 ? 211.319 77.433 -9.985 1.00 46.88 ? 141 ASP I O 1 ATOM 7197 C CB . ASP E 3 141 ? 211.739 79.754 -7.652 1.00 55.08 ? 141 ASP I CB 1 ATOM 7198 C CG . ASP E 3 141 ? 211.572 80.282 -6.246 1.00 67.00 ? 141 ASP I CG 1 ATOM 7199 O OD1 . ASP E 3 141 ? 210.648 79.813 -5.544 1.00 67.69 ? 141 ASP I OD1 1 ATOM 7200 O OD2 . ASP E 3 141 ? 212.354 81.173 -5.848 1.00 78.18 -1 141 ASP I OD2 1 ATOM 7201 N N . PRO E 3 142 ? 209.921 79.188 -10.174 1.00 52.79 ? 142 PRO I N 1 ATOM 7202 C CA . PRO E 3 142 ? 209.647 78.902 -11.596 1.00 52.20 ? 142 PRO I CA 1 ATOM 7203 C C . PRO E 3 142 ? 210.884 78.816 -12.481 1.00 48.89 ? 142 PRO I C 1 ATOM 7204 O O . PRO E 3 142 ? 210.918 77.987 -13.404 1.00 45.99 ? 142 PRO I O 1 ATOM 7205 C CB . PRO E 3 142 ? 208.733 80.067 -12.000 1.00 55.76 ? 142 PRO I CB 1 ATOM 7206 C CG . PRO E 3 142 ? 208.045 80.451 -10.730 1.00 51.44 ? 142 PRO I CG 1 ATOM 7207 C CD . PRO E 3 142 ? 209.068 80.275 -9.655 1.00 49.87 ? 142 PRO I CD 1 ATOM 7208 N N . GLU E 3 143 ? 211.907 79.638 -12.238 1.00 42.80 ? 143 GLU I N 1 ATOM 7209 C CA . GLU E 3 143 ? 213.099 79.551 -13.073 1.00 46.09 ? 143 GLU I CA 1 ATOM 7210 C C . GLU E 3 143 ? 213.817 78.214 -12.924 1.00 46.99 ? 143 GLU I C 1 ATOM 7211 O O . GLU E 3 143 ? 214.467 77.770 -13.877 1.00 43.55 ? 143 GLU I O 1 ATOM 7212 C CB . GLU E 3 143 ? 214.066 80.709 -12.777 1.00 43.47 ? 143 GLU I CB 1 ATOM 7213 C CG . GLU E 3 143 ? 214.059 81.215 -11.345 1.00 56.50 ? 143 GLU I CG 1 ATOM 7214 C CD . GLU E 3 143 ? 213.128 82.402 -11.130 1.00 72.72 ? 143 GLU I CD 1 ATOM 7215 O OE1 . GLU E 3 143 ? 213.301 83.441 -11.809 1.00 84.55 ? 143 GLU I OE1 1 ATOM 7216 O OE2 . GLU E 3 143 ? 212.221 82.293 -10.276 1.00 70.99 -1 143 GLU I OE2 1 ATOM 7217 N N . PHE E 3 144 ? 213.689 77.538 -11.778 1.00 43.48 ? 144 PHE I N 1 ATOM 7218 C CA . PHE E 3 144 ? 214.418 76.292 -11.556 1.00 34.86 ? 144 PHE I CA 1 ATOM 7219 C C . PHE E 3 144 ? 213.568 75.038 -11.642 1.00 41.74 ? 144 PHE I C 1 ATOM 7220 O O . PHE E 3 144 ? 214.097 73.981 -11.999 1.00 41.61 ? 144 PHE I O 1 ATOM 7221 C CB . PHE E 3 144 ? 215.130 76.326 -10.201 1.00 33.43 ? 144 PHE I CB 1 ATOM 7222 C CG . PHE E 3 144 ? 216.292 77.267 -10.172 1.00 43.31 ? 144 PHE I CG 1 ATOM 7223 C CD1 . PHE E 3 144 ? 217.517 76.887 -10.695 1.00 45.44 ? 144 PHE I CD1 1 ATOM 7224 C CD2 . PHE E 3 144 ? 216.153 78.541 -9.652 1.00 49.25 ? 144 PHE I CD2 1 ATOM 7225 C CE1 . PHE E 3 144 ? 218.585 77.758 -10.684 1.00 51.31 ? 144 PHE I CE1 1 ATOM 7226 C CE2 . PHE E 3 144 ? 217.212 79.418 -9.637 1.00 36.46 ? 144 PHE I CE2 1 ATOM 7227 C CZ . PHE E 3 144 ? 218.429 79.029 -10.154 1.00 51.82 ? 144 PHE I CZ 1 ATOM 7228 N N . VAL E 3 145 ? 212.272 75.115 -11.332 1.00 44.17 ? 145 VAL I N 1 ATOM 7229 C CA . VAL E 3 145 ? 211.427 73.936 -11.501 1.00 36.85 ? 145 VAL I CA 1 ATOM 7230 C C . VAL E 3 145 ? 211.157 73.705 -12.979 1.00 40.20 ? 145 VAL I C 1 ATOM 7231 O O . VAL E 3 145 ? 210.903 72.574 -13.410 1.00 53.75 ? 145 VAL I O 1 ATOM 7232 C CB . VAL E 3 145 ? 210.121 74.081 -10.696 1.00 44.40 ? 145 VAL I CB 1 ATOM 7233 C CG1 . VAL E 3 145 ? 209.189 75.115 -11.343 1.00 36.64 ? 145 VAL I CG1 1 ATOM 7234 C CG2 . VAL E 3 145 ? 209.430 72.749 -10.580 1.00 38.26 ? 145 VAL I CG2 1 ATOM 7235 N N . ASN E 3 146 ? 211.217 74.759 -13.776 1.00 41.07 ? 146 ASN I N 1 ATOM 7236 C CA . ASN E 3 146 ? 211.139 74.660 -15.221 1.00 46.29 ? 146 ASN I CA 1 ATOM 7237 C C . ASN E 3 146 ? 212.539 74.721 -15.809 1.00 48.84 ? 146 ASN I C 1 ATOM 7238 O O . ASN E 3 146 ? 213.482 75.215 -15.185 1.00 48.99 ? 146 ASN I O 1 ATOM 7239 C CB . ASN E 3 146 ? 210.286 75.792 -15.804 1.00 46.91 ? 146 ASN I CB 1 ATOM 7240 C CG . ASN E 3 146 ? 208.854 75.751 -15.324 1.00 49.89 ? 146 ASN I CG 1 ATOM 7241 O OD1 . ASN E 3 146 ? 208.089 74.863 -15.703 1.00 58.33 ? 146 ASN I OD1 1 ATOM 7242 N ND2 . ASN E 3 146 ? 208.482 76.712 -14.480 1.00 43.75 ? 146 ASN I ND2 1 ATOM 7243 N N . HIS E 3 147 ? 212.671 74.191 -17.016 1.00 48.97 ? 147 HIS I N 1 ATOM 7244 C CA . HIS E 3 147 ? 213.827 74.516 -17.836 1.00 49.99 ? 147 HIS I CA 1 ATOM 7245 C C . HIS E 3 147 ? 213.661 75.948 -18.326 1.00 44.68 ? 147 HIS I C 1 ATOM 7246 O O . HIS E 3 147 ? 212.746 76.240 -19.101 1.00 41.48 ? 147 HIS I O 1 ATOM 7247 C CB . HIS E 3 147 ? 213.944 73.545 -19.004 1.00 47.12 ? 147 HIS I CB 1 ATOM 7248 C CG . HIS E 3 147 ? 214.820 74.047 -20.107 1.00 53.35 ? 147 HIS I CG 1 ATOM 7249 N ND1 . HIS E 3 147 ? 216.132 74.416 -19.904 1.00 58.17 ? 147 HIS I ND1 1 ATOM 7250 C CD2 . HIS E 3 147 ? 214.570 74.256 -21.420 1.00 49.18 ? 147 HIS I CD2 1 ATOM 7251 C CE1 . HIS E 3 147 ? 216.657 74.819 -21.047 1.00 53.58 ? 147 HIS I CE1 1 ATOM 7252 N NE2 . HIS E 3 147 ? 215.729 74.735 -21.982 1.00 56.47 ? 147 HIS I NE2 1 ATOM 7253 N N . SER E 3 148 ? 214.517 76.848 -17.858 1.00 44.78 ? 148 SER I N 1 ATOM 7254 C CA . SER E 3 148 ? 214.388 78.266 -18.152 1.00 40.06 ? 148 SER I CA 1 ATOM 7255 C C . SER E 3 148 ? 215.635 78.761 -18.860 1.00 42.15 ? 148 SER I C 1 ATOM 7256 O O . SER E 3 148 ? 216.747 78.338 -18.540 1.00 46.20 ? 148 SER I O 1 ATOM 7257 C CB . SER E 3 148 ? 214.158 79.060 -16.883 1.00 44.44 ? 148 SER I CB 1 ATOM 7258 O OG . SER E 3 148 ? 213.061 78.509 -16.174 1.00 58.02 ? 148 SER I OG 1 ATOM 7259 N N . PHE E 3 149 ? 215.453 79.654 -19.826 1.00 40.58 ? 149 PHE I N 1 ATOM 7260 C CA . PHE E 3 149 ? 216.605 80.108 -20.582 1.00 49.57 ? 149 PHE I CA 1 ATOM 7261 C C . PHE E 3 149 ? 216.401 81.535 -21.058 1.00 56.54 ? 149 PHE I C 1 ATOM 7262 O O . PHE E 3 149 ? 215.278 82.022 -21.222 1.00 53.90 ? 149 PHE I O 1 ATOM 7263 C CB . PHE E 3 149 ? 216.906 79.187 -21.770 1.00 48.43 ? 149 PHE I CB 1 ATOM 7264 C CG . PHE E 3 149 ? 215.815 79.141 -22.800 1.00 48.55 ? 149 PHE I CG 1 ATOM 7265 C CD1 . PHE E 3 149 ? 214.749 78.266 -22.661 1.00 48.11 ? 149 PHE I CD1 1 ATOM 7266 C CD2 . PHE E 3 149 ? 215.863 79.962 -23.916 1.00 55.41 ? 149 PHE I CD2 1 ATOM 7267 C CE1 . PHE E 3 149 ? 213.747 78.218 -23.609 1.00 53.38 ? 149 PHE I CE1 1 ATOM 7268 C CE2 . PHE E 3 149 ? 214.867 79.914 -24.870 1.00 58.16 ? 149 PHE I CE2 1 ATOM 7269 C CZ . PHE E 3 149 ? 213.807 79.040 -24.716 1.00 57.86 ? 149 PHE I CZ 1 ATOM 7270 N N . ASN E 3 150 ? 217.532 82.187 -21.279 1.00 57.15 ? 150 ASN I N 1 ATOM 7271 C CA . ASN E 3 150 ? 217.612 83.564 -21.723 1.00 54.58 ? 150 ASN I CA 1 ATOM 7272 C C . ASN E 3 150 ? 217.858 83.573 -23.225 1.00 52.68 ? 150 ASN I C 1 ATOM 7273 O O . ASN E 3 150 ? 218.739 82.864 -23.718 1.00 63.14 ? 150 ASN I O 1 ATOM 7274 C CB . ASN E 3 150 ? 218.749 84.267 -20.983 1.00 64.38 ? 150 ASN I CB 1 ATOM 7275 C CG . ASN E 3 150 ? 218.754 85.751 -21.194 1.00 73.72 ? 150 ASN I CG 1 ATOM 7276 O OD1 . ASN E 3 150 ? 217.703 86.366 -21.381 1.00 70.45 ? 150 ASN I OD1 1 ATOM 7277 N ND2 . ASN E 3 150 ? 219.944 86.347 -21.154 1.00 77.89 ? 150 ASN I ND2 1 ATOM 7278 N N . CYS E 3 151 ? 217.074 84.359 -23.950 1.00 41.38 ? 151 CYS I N 1 ATOM 7279 C CA . CYS E 3 151 ? 217.240 84.466 -25.394 1.00 61.83 ? 151 CYS I CA 1 ATOM 7280 C C . CYS E 3 151 ? 216.742 85.835 -25.828 1.00 59.30 ? 151 CYS I C 1 ATOM 7281 O O . CYS E 3 151 ? 215.566 86.159 -25.636 1.00 66.16 ? 151 CYS I O 1 ATOM 7282 C CB . CYS E 3 151 ? 216.484 83.348 -26.118 1.00 78.47 ? 151 CYS I CB 1 ATOM 7283 S SG . CYS E 3 151 ? 216.630 83.358 -27.926 1.00 100.86 ? 151 CYS I SG 1 ATOM 7284 N N . GLY E 3 152 ? 217.639 86.637 -26.392 1.00 64.53 ? 152 GLY I N 1 ATOM 7285 C CA . GLY E 3 152 ? 217.264 87.949 -26.902 1.00 68.80 ? 152 GLY I CA 1 ATOM 7286 C C . GLY E 3 152 ? 216.686 88.882 -25.861 1.00 77.46 ? 152 GLY I C 1 ATOM 7287 O O . GLY E 3 152 ? 215.727 89.609 -26.149 1.00 86.70 ? 152 GLY I O 1 ATOM 7288 N N . GLY E 3 153 ? 217.242 88.876 -24.650 1.00 79.42 ? 153 GLY I N 1 ATOM 7289 C CA . GLY E 3 153 ? 216.790 89.773 -23.603 1.00 84.42 ? 153 GLY I CA 1 ATOM 7290 C C . GLY E 3 153 ? 215.478 89.405 -22.950 1.00 85.72 ? 153 GLY I C 1 ATOM 7291 O O . GLY E 3 153 ? 215.000 90.154 -22.093 1.00 89.52 ? 153 GLY I O 1 ATOM 7292 N N . GLU E 3 154 ? 214.880 88.276 -23.324 1.00 76.78 ? 154 GLU I N 1 ATOM 7293 C CA . GLU E 3 154 ? 213.632 87.806 -22.742 1.00 63.47 ? 154 GLU I CA 1 ATOM 7294 C C . GLU E 3 154 ? 213.856 86.446 -22.090 1.00 54.19 ? 154 GLU I C 1 ATOM 7295 O O . GLU E 3 154 ? 214.634 85.629 -22.592 1.00 57.90 ? 154 GLU I O 1 ATOM 7296 C CB . GLU E 3 154 ? 212.541 87.720 -23.810 1.00 65.56 ? 154 GLU I CB 1 ATOM 7297 C CG . GLU E 3 154 ? 211.164 87.351 -23.288 1.00 74.41 ? 154 GLU I CG 1 ATOM 7298 C CD . GLU E 3 154 ? 210.084 87.551 -24.335 1.00 93.49 ? 154 GLU I CD 1 ATOM 7299 O OE1 . GLU E 3 154 ? 208.889 87.450 -23.984 1.00 102.42 ? 154 GLU I OE1 1 ATOM 7300 O OE2 . GLU E 3 154 ? 210.431 87.817 -25.509 1.00 96.55 -1 154 GLU I OE2 1 ATOM 7301 N N . PHE E 3 155 ? 213.179 86.209 -20.968 1.00 53.86 ? 155 PHE I N 1 ATOM 7302 C CA . PHE E 3 155 ? 213.314 84.980 -20.196 1.00 38.63 ? 155 PHE I CA 1 ATOM 7303 C C . PHE E 3 155 ? 212.133 84.053 -20.474 1.00 46.05 ? 155 PHE I C 1 ATOM 7304 O O . PHE E 3 155 ? 210.980 84.496 -20.496 1.00 50.59 ? 155 PHE I O 1 ATOM 7305 C CB . PHE E 3 155 ? 213.400 85.302 -18.700 1.00 39.68 ? 155 PHE I CB 1 ATOM 7306 C CG . PHE E 3 155 ? 214.207 84.312 -17.910 1.00 53.29 ? 155 PHE I CG 1 ATOM 7307 C CD1 . PHE E 3 155 ? 215.585 84.258 -18.052 1.00 42.97 ? 155 PHE I CD1 1 ATOM 7308 C CD2 . PHE E 3 155 ? 213.593 83.440 -17.019 1.00 60.94 ? 155 PHE I CD2 1 ATOM 7309 C CE1 . PHE E 3 155 ? 216.337 83.342 -17.330 1.00 53.39 ? 155 PHE I CE1 1 ATOM 7310 C CE2 . PHE E 3 155 ? 214.340 82.525 -16.288 1.00 61.38 ? 155 PHE I CE2 1 ATOM 7311 C CZ . PHE E 3 155 ? 215.714 82.476 -16.445 1.00 55.46 ? 155 PHE I CZ 1 ATOM 7312 N N . PHE E 3 156 ? 212.421 82.765 -20.687 1.00 45.15 ? 156 PHE I N 1 ATOM 7313 C CA . PHE E 3 156 ? 211.404 81.784 -21.058 1.00 50.32 ? 156 PHE I CA 1 ATOM 7314 C C . PHE E 3 156 ? 211.389 80.620 -20.081 1.00 51.52 ? 156 PHE I C 1 ATOM 7315 O O . PHE E 3 156 ? 212.441 80.177 -19.610 1.00 59.90 ? 156 PHE I O 1 ATOM 7316 C CB . PHE E 3 156 ? 211.630 81.237 -22.469 1.00 43.30 ? 156 PHE I CB 1 ATOM 7317 C CG . PHE E 3 156 ? 211.569 82.282 -23.541 1.00 46.59 ? 156 PHE I CG 1 ATOM 7318 C CD1 . PHE E 3 156 ? 210.349 82.704 -24.050 1.00 52.34 ? 156 PHE I CD1 1 ATOM 7319 C CD2 . PHE E 3 156 ? 212.731 82.829 -24.057 1.00 55.57 ? 156 PHE I CD2 1 ATOM 7320 C CE1 . PHE E 3 156 ? 210.288 83.663 -25.048 1.00 55.77 ? 156 PHE I CE1 1 ATOM 7321 C CE2 . PHE E 3 156 ? 212.679 83.790 -25.052 1.00 64.90 ? 156 PHE I CE2 1 ATOM 7322 C CZ . PHE E 3 156 ? 211.453 84.208 -25.546 1.00 58.81 ? 156 PHE I CZ 1 ATOM 7323 N N . TYR E 3 157 ? 210.192 80.106 -19.809 1.00 49.11 ? 157 TYR I N 1 ATOM 7324 C CA . TYR E 3 157 ? 209.983 79.022 -18.855 1.00 48.67 ? 157 TYR I CA 1 ATOM 7325 C C . TYR E 3 157 ? 209.279 77.874 -19.560 1.00 49.32 ? 157 TYR I C 1 ATOM 7326 O O . TYR E 3 157 ? 208.166 78.053 -20.066 1.00 43.93 ? 157 TYR I O 1 ATOM 7327 C CB . TYR E 3 157 ? 209.133 79.490 -17.676 1.00 42.94 ? 157 TYR I CB 1 ATOM 7328 C CG . TYR E 3 157 ? 209.644 80.685 -16.912 1.00 39.27 ? 157 TYR I CG 1 ATOM 7329 C CD1 . TYR E 3 157 ? 209.409 81.976 -17.363 1.00 36.97 ? 157 TYR I CD1 1 ATOM 7330 C CD2 . TYR E 3 157 ? 210.311 80.523 -15.707 1.00 41.33 ? 157 TYR I CD2 1 ATOM 7331 C CE1 . TYR E 3 157 ? 209.851 83.077 -16.644 1.00 41.72 ? 157 TYR I CE1 1 ATOM 7332 C CE2 . TYR E 3 157 ? 210.759 81.615 -14.984 1.00 42.96 ? 157 TYR I CE2 1 ATOM 7333 C CZ . TYR E 3 157 ? 210.522 82.889 -15.456 1.00 44.07 ? 157 TYR I CZ 1 ATOM 7334 O OH . TYR E 3 157 ? 210.976 83.968 -14.736 1.00 58.18 ? 157 TYR I OH 1 ATOM 7335 N N . CYS E 3 158 ? 209.903 76.693 -19.563 1.00 51.72 ? 158 CYS I N 1 ATOM 7336 C CA . CYS E 3 158 ? 209.353 75.524 -20.242 1.00 51.76 ? 158 CYS I CA 1 ATOM 7337 C C . CYS E 3 158 ? 209.279 74.345 -19.283 1.00 54.10 ? 158 CYS I C 1 ATOM 7338 O O . CYS E 3 158 ? 210.254 74.047 -18.586 1.00 56.77 ? 158 CYS I O 1 ATOM 7339 C CB . CYS E 3 158 ? 210.190 75.147 -21.464 1.00 53.88 ? 158 CYS I CB 1 ATOM 7340 S SG . CYS E 3 158 ? 210.450 76.507 -22.598 1.00 81.80 ? 158 CYS I SG 1 ATOM 7341 N N . ALA E 3 159 ? 208.129 73.673 -19.259 1.00 56.51 ? 159 ALA I N 1 ATOM 7342 C CA . ALA E 3 159 ? 207.923 72.557 -18.345 1.00 50.92 ? 159 ALA I CA 1 ATOM 7343 C C . ALA E 3 159 ? 208.690 71.339 -18.840 1.00 55.48 ? 159 ALA I C 1 ATOM 7344 O O . ALA E 3 159 ? 208.508 70.900 -19.980 1.00 49.57 ? 159 ALA I O 1 ATOM 7345 C CB . ALA E 3 159 ? 206.435 72.247 -18.216 1.00 43.06 ? 159 ALA I CB 1 ATOM 7346 N N . SER E 3 160 ? 209.555 70.795 -17.988 1.00 57.27 ? 160 SER I N 1 ATOM 7347 C CA . SER E 3 160 ? 210.457 69.727 -18.390 1.00 55.67 ? 160 SER I CA 1 ATOM 7348 C C . SER E 3 160 ? 210.005 68.360 -17.902 1.00 53.91 ? 160 SER I C 1 ATOM 7349 O O . SER E 3 160 ? 210.792 67.408 -17.949 1.00 53.47 ? 160 SER I O 1 ATOM 7350 C CB . SER E 3 160 ? 211.873 70.019 -17.890 1.00 53.88 ? 160 SER I CB 1 ATOM 7351 O OG . SER E 3 160 ? 211.894 70.170 -16.480 1.00 41.15 ? 160 SER I OG 1 ATOM 7352 N N . THR E 3 161 ? 208.752 68.242 -17.452 1.00 54.36 ? 161 THR I N 1 ATOM 7353 C CA . THR E 3 161 ? 208.273 67.001 -16.845 1.00 58.52 ? 161 THR I CA 1 ATOM 7354 C C . THR E 3 161 ? 208.434 65.814 -17.788 1.00 59.01 ? 161 THR I C 1 ATOM 7355 O O . THR E 3 161 ? 208.905 64.744 -17.384 1.00 59.79 ? 161 THR I O 1 ATOM 7356 C CB . THR E 3 161 ? 206.812 67.167 -16.436 1.00 61.43 ? 161 THR I CB 1 ATOM 7357 O OG1 . THR E 3 161 ? 206.674 68.377 -15.681 1.00 68.82 ? 161 THR I OG1 1 ATOM 7358 C CG2 . THR E 3 161 ? 206.349 65.986 -15.595 1.00 56.06 ? 161 THR I CG2 1 ATOM 7359 N N . GLN E 3 162 ? 208.060 65.990 -19.058 1.00 47.87 ? 162 GLN I N 1 ATOM 7360 C CA . GLN E 3 162 ? 208.105 64.896 -20.022 1.00 55.79 ? 162 GLN I CA 1 ATOM 7361 C C . GLN E 3 162 ? 209.524 64.462 -20.372 1.00 58.60 ? 162 GLN I C 1 ATOM 7362 O O . GLN E 3 162 ? 209.692 63.425 -21.019 1.00 63.53 ? 162 GLN I O 1 ATOM 7363 C CB . GLN E 3 162 ? 207.370 65.296 -21.300 1.00 54.65 ? 162 GLN I CB 1 ATOM 7364 C CG . GLN E 3 162 ? 205.890 65.578 -21.119 1.00 58.68 ? 162 GLN I CG 1 ATOM 7365 C CD . GLN E 3 162 ? 205.201 65.856 -22.441 1.00 76.71 ? 162 GLN I CD 1 ATOM 7366 O OE1 . GLN E 3 162 ? 204.638 64.954 -23.069 1.00 83.74 ? 162 GLN I OE1 1 ATOM 7367 N NE2 . GLN E 3 162 ? 205.252 67.110 -22.880 1.00 75.83 ? 162 GLN I NE2 1 ATOM 7368 N N . LEU E 3 163 ? 210.538 65.224 -19.976 1.00 50.55 ? 163 LEU I N 1 ATOM 7369 C CA . LEU E 3 163 ? 211.921 64.872 -20.265 1.00 51.70 ? 163 LEU I CA 1 ATOM 7370 C C . LEU E 3 163 ? 212.547 63.978 -19.202 1.00 54.80 ? 163 LEU I C 1 ATOM 7371 O O . LEU E 3 163 ? 213.574 63.348 -19.470 1.00 58.46 ? 163 LEU I O 1 ATOM 7372 C CB . LEU E 3 163 ? 212.767 66.144 -20.406 1.00 49.15 ? 163 LEU I CB 1 ATOM 7373 C CG . LEU E 3 163 ? 213.073 66.717 -21.788 1.00 54.44 ? 163 LEU I CG 1 ATOM 7374 C CD1 . LEU E 3 163 ? 211.822 66.866 -22.624 1.00 63.02 ? 163 LEU I CD1 1 ATOM 7375 C CD2 . LEU E 3 163 ? 213.776 68.058 -21.638 1.00 49.63 ? 163 LEU I CD2 1 ATOM 7376 N N . PHE E 3 164 ? 211.967 63.912 -18.003 1.00 54.22 ? 164 PHE I N 1 ATOM 7377 C CA . PHE E 3 164 ? 212.538 63.147 -16.897 1.00 60.76 ? 164 PHE I CA 1 ATOM 7378 C C . PHE E 3 164 ? 211.475 62.194 -16.355 1.00 58.53 ? 164 PHE I C 1 ATOM 7379 O O . PHE E 3 164 ? 210.940 62.385 -15.265 1.00 58.22 ? 164 PHE I O 1 ATOM 7380 C CB . PHE E 3 164 ? 213.063 64.072 -15.811 1.00 59.82 ? 164 PHE I CB 1 ATOM 7381 C CG . PHE E 3 164 ? 214.073 65.051 -16.307 1.00 51.85 ? 164 PHE I CG 1 ATOM 7382 C CD1 . PHE E 3 164 ? 215.343 64.631 -16.666 1.00 53.78 ? 164 PHE I CD1 1 ATOM 7383 C CD2 . PHE E 3 164 ? 213.754 66.392 -16.426 1.00 53.08 ? 164 PHE I CD2 1 ATOM 7384 C CE1 . PHE E 3 164 ? 216.284 65.534 -17.132 1.00 51.86 ? 164 PHE I CE1 1 ATOM 7385 C CE2 . PHE E 3 164 ? 214.688 67.302 -16.888 1.00 55.00 ? 164 PHE I CE2 1 ATOM 7386 C CZ . PHE E 3 164 ? 215.957 66.872 -17.239 1.00 49.38 ? 164 PHE I CZ 1 ATOM 7387 N N . ALA E 3 165 ? 211.181 61.150 -17.127 1.00 61.91 ? 165 ALA I N 1 ATOM 7388 C CA . ALA E 3 165 ? 210.168 60.178 -16.741 1.00 62.59 ? 165 ALA I CA 1 ATOM 7389 C C . ALA E 3 165 ? 210.442 58.829 -17.396 1.00 65.87 ? 165 ALA I C 1 ATOM 7390 O O . ALA E 3 165 ? 209.628 58.332 -18.184 1.00 68.68 ? 165 ALA I O 1 ATOM 7391 C CB . ALA E 3 165 ? 208.777 60.695 -17.105 1.00 70.09 ? 165 ALA I CB 1 ATOM 7392 N N . SER E 3 166 ? 211.586 58.227 -17.074 1.00 64.65 ? 166 SER I N 1 ATOM 7393 C CA . SER E 3 166 ? 211.952 56.952 -17.671 1.00 62.11 ? 166 SER I CA 1 ATOM 7394 C C . SER E 3 166 ? 212.736 56.121 -16.666 1.00 68.28 ? 166 SER I C 1 ATOM 7395 O O . SER E 3 166 ? 213.255 56.637 -15.674 1.00 74.98 ? 166 SER I O 1 ATOM 7396 C CB . SER E 3 166 ? 212.758 57.149 -18.962 1.00 53.61 ? 166 SER I CB 1 ATOM 7397 O OG . SER E 3 166 ? 213.874 58.002 -18.742 1.00 61.25 ? 166 SER I OG 1 ATOM 7398 N N . THR E 3 167 ? 212.819 54.821 -16.948 1.00 67.86 ? 167 THR I N 1 ATOM 7399 C CA . THR E 3 167 ? 213.563 53.858 -16.147 1.00 68.94 ? 167 THR I CA 1 ATOM 7400 C C . THR E 3 167 ? 214.523 53.105 -17.060 1.00 75.97 ? 167 THR I C 1 ATOM 7401 O O . THR E 3 167 ? 214.197 52.828 -18.219 1.00 83.32 ? 167 THR I O 1 ATOM 7402 C CB . THR E 3 167 ? 212.612 52.873 -15.437 1.00 70.75 ? 167 THR I CB 1 ATOM 7403 O OG1 . THR E 3 167 ? 211.698 53.604 -14.608 1.00 79.65 ? 167 THR I OG1 1 ATOM 7404 C CG2 . THR E 3 167 ? 213.385 51.886 -14.575 1.00 64.55 ? 167 THR I CG2 1 ATOM 7405 N N . TRP E 3 168 ? 215.710 52.783 -16.544 1.00 71.72 ? 168 TRP I N 1 ATOM 7406 C CA . TRP E 3 168 ? 216.766 52.176 -17.348 1.00 72.44 ? 168 TRP I CA 1 ATOM 7407 C C . TRP E 3 168 ? 217.466 51.094 -16.539 1.00 84.69 ? 168 TRP I C 1 ATOM 7408 O O . TRP E 3 168 ? 218.071 51.389 -15.504 1.00 83.73 ? 168 TRP I O 1 ATOM 7409 C CB . TRP E 3 168 ? 217.765 53.241 -17.811 1.00 69.23 ? 168 TRP I CB 1 ATOM 7410 C CG . TRP E 3 168 ? 217.103 54.393 -18.517 1.00 74.36 ? 168 TRP I CG 1 ATOM 7411 C CD1 . TRP E 3 168 ? 216.593 55.526 -17.945 1.00 73.38 ? 168 TRP I CD1 1 ATOM 7412 C CD2 . TRP E 3 168 ? 216.863 54.514 -19.923 1.00 72.58 ? 168 TRP I CD2 1 ATOM 7413 N NE1 . TRP E 3 168 ? 216.060 56.345 -18.909 1.00 61.56 ? 168 TRP I NE1 1 ATOM 7414 C CE2 . TRP E 3 168 ? 216.212 55.746 -20.132 1.00 68.80 ? 168 TRP I CE2 1 ATOM 7415 C CE3 . TRP E 3 168 ? 217.138 53.701 -21.026 1.00 68.61 ? 168 TRP I CE3 1 ATOM 7416 C CZ2 . TRP E 3 168 ? 215.832 56.185 -21.397 1.00 69.48 ? 168 TRP I CZ2 1 ATOM 7417 C CZ3 . TRP E 3 168 ? 216.764 54.140 -22.279 1.00 76.20 ? 168 TRP I CZ3 1 ATOM 7418 C CH2 . TRP E 3 168 ? 216.116 55.369 -22.455 1.00 74.95 ? 168 TRP I CH2 1 ATOM 7419 N N . PHE E 3 169 ? 217.394 49.852 -17.015 1.00 92.62 ? 169 PHE I N 1 ATOM 7420 C CA . PHE E 3 169 ? 218.025 48.723 -16.332 1.00 92.01 ? 169 PHE I CA 1 ATOM 7421 C C . PHE E 3 169 ? 219.445 48.491 -16.828 1.00 90.31 ? 169 PHE I C 1 ATOM 7422 O O . PHE E 3 169 ? 219.703 48.525 -18.030 1.00 93.84 ? 169 PHE I O 1 ATOM 7423 C CB . PHE E 3 169 ? 217.200 47.453 -16.523 1.00 100.36 ? 169 PHE I CB 1 ATOM 7424 C CG . PHE E 3 169 ? 215.811 47.553 -15.979 1.00 107.99 ? 169 PHE I CG 1 ATOM 7425 C CD1 . PHE E 3 169 ? 215.527 47.134 -14.691 1.00 115.99 ? 169 PHE I CD1 1 ATOM 7426 C CD2 . PHE E 3 169 ? 214.789 48.073 -16.752 1.00 108.37 ? 169 PHE I CD2 1 ATOM 7427 C CE1 . PHE E 3 169 ? 214.246 47.227 -14.185 1.00 117.60 ? 169 PHE I CE1 1 ATOM 7428 C CE2 . PHE E 3 169 ? 213.507 48.170 -16.253 1.00 111.88 ? 169 PHE I CE2 1 ATOM 7429 C CZ . PHE E 3 169 ? 213.234 47.747 -14.968 1.00 115.10 ? 169 PHE I CZ 1 ATOM 7430 N N . ASP F 2 1 ? 188.342 26.378 45.211 1.00 126.59 ? 1 ASP L N 1 ATOM 7431 C CA . ASP F 2 1 ? 189.292 25.758 46.129 1.00 121.06 ? 1 ASP L CA 1 ATOM 7432 C C . ASP F 2 1 ? 190.309 26.771 46.660 1.00 106.19 ? 1 ASP L C 1 ATOM 7433 O O . ASP F 2 1 ? 190.053 27.977 46.696 1.00 95.65 ? 1 ASP L O 1 ATOM 7434 C CB . ASP F 2 1 ? 190.024 24.592 45.448 1.00 114.13 ? 1 ASP L CB 1 ATOM 7435 C CG . ASP F 2 1 ? 189.116 23.397 45.181 1.00 108.53 ? 1 ASP L CG 1 ATOM 7436 O OD1 . ASP F 2 1 ? 188.161 23.169 45.961 1.00 101.07 ? 1 ASP L OD1 1 ATOM 7437 O OD2 . ASP F 2 1 ? 189.367 22.682 44.186 1.00 104.43 -1 1 ASP L OD2 1 ATOM 7438 N N . ILE F 2 2 ? 191.467 26.262 47.068 1.00 88.63 ? 2 ILE L N 1 ATOM 7439 C CA . ILE F 2 2 ? 192.509 27.060 47.697 1.00 72.63 ? 2 ILE L CA 1 ATOM 7440 C C . ILE F 2 2 ? 193.635 27.266 46.693 1.00 67.56 ? 2 ILE L C 1 ATOM 7441 O O . ILE F 2 2 ? 193.829 26.464 45.775 1.00 71.64 ? 2 ILE L O 1 ATOM 7442 C CB . ILE F 2 2 ? 193.010 26.376 48.989 1.00 80.41 ? 2 ILE L CB 1 ATOM 7443 C CG1 . ILE F 2 2 ? 191.818 25.954 49.856 1.00 77.16 ? 2 ILE L CG1 1 ATOM 7444 C CG2 . ILE F 2 2 ? 193.920 27.298 49.781 1.00 83.78 ? 2 ILE L CG2 1 ATOM 7445 C CD1 . ILE F 2 2 ? 192.187 25.118 51.072 1.00 76.46 ? 2 ILE L CD1 1 ATOM 7446 N N . VAL F 2 3 ? 194.362 28.367 46.849 1.00 63.47 ? 3 VAL L N 1 ATOM 7447 C CA . VAL F 2 3 ? 195.489 28.695 45.985 1.00 62.05 ? 3 VAL L CA 1 ATOM 7448 C C . VAL F 2 3 ? 196.773 28.556 46.795 1.00 54.73 ? 3 VAL L C 1 ATOM 7449 O O . VAL F 2 3 ? 196.922 29.185 47.851 1.00 60.90 ? 3 VAL L O 1 ATOM 7450 C CB . VAL F 2 3 ? 195.357 30.106 45.396 1.00 57.02 ? 3 VAL L CB 1 ATOM 7451 C CG1 . VAL F 2 3 ? 196.557 30.423 44.512 1.00 54.91 ? 3 VAL L CG1 1 ATOM 7452 C CG2 . VAL F 2 3 ? 194.057 30.230 44.612 1.00 50.99 ? 3 VAL L CG2 1 ATOM 7453 N N . MET F 2 4 ? 197.691 27.724 46.309 1.00 48.16 ? 4 MET L N 1 ATOM 7454 C CA . MET F 2 4 ? 199.005 27.547 46.917 1.00 47.76 ? 4 MET L CA 1 ATOM 7455 C C . MET F 2 4 ? 200.004 28.390 46.148 1.00 45.14 ? 4 MET L C 1 ATOM 7456 O O . MET F 2 4 ? 200.083 28.297 44.920 1.00 37.29 ? 4 MET L O 1 ATOM 7457 C CB . MET F 2 4 ? 199.455 26.086 46.891 1.00 46.80 ? 4 MET L CB 1 ATOM 7458 C CG . MET F 2 4 ? 198.413 25.109 47.376 1.00 49.64 ? 4 MET L CG 1 ATOM 7459 S SD . MET F 2 4 ? 198.094 25.329 49.129 1.00 64.61 ? 4 MET L SD 1 ATOM 7460 C CE . MET F 2 4 ? 199.669 24.831 49.815 1.00 56.32 ? 4 MET L CE 1 ATOM 7461 N N . THR F 2 5 ? 200.762 29.202 46.865 1.00 47.00 ? 5 THR L N 1 ATOM 7462 C CA . THR F 2 5 ? 201.733 30.100 46.259 1.00 55.95 ? 5 THR L CA 1 ATOM 7463 C C . THR F 2 5 ? 203.124 29.671 46.706 1.00 53.51 ? 5 THR L C 1 ATOM 7464 O O . THR F 2 5 ? 203.389 29.566 47.908 1.00 51.73 ? 5 THR L O 1 ATOM 7465 C CB . THR F 2 5 ? 201.432 31.549 46.645 1.00 60.91 ? 5 THR L CB 1 ATOM 7466 O OG1 . THR F 2 5 ? 200.118 31.886 46.184 1.00 67.03 ? 5 THR L OG1 1 ATOM 7467 C CG2 . THR F 2 5 ? 202.432 32.500 46.015 1.00 55.44 ? 5 THR L CG2 1 ATOM 7468 N N . GLN F 2 6 ? 203.994 29.394 45.744 1.00 41.87 ? 6 GLN L N 1 ATOM 7469 C CA . GLN F 2 6 ? 205.364 29.008 46.039 1.00 56.01 ? 6 GLN L CA 1 ATOM 7470 C C . GLN F 2 6 ? 206.314 30.168 45.813 1.00 57.12 ? 6 GLN L C 1 ATOM 7471 O O . GLN F 2 6 ? 206.249 30.841 44.779 1.00 59.26 ? 6 GLN L O 1 ATOM 7472 C CB . GLN F 2 6 ? 205.810 27.842 45.176 1.00 46.51 ? 6 GLN L CB 1 ATOM 7473 C CG . GLN F 2 6 ? 205.291 26.550 45.633 1.00 47.54 ? 6 GLN L CG 1 ATOM 7474 C CD . GLN F 2 6 ? 205.849 25.461 44.799 1.00 49.97 ? 6 GLN L CD 1 ATOM 7475 O OE1 . GLN F 2 6 ? 205.109 24.736 44.139 1.00 46.77 ? 6 GLN L OE1 1 ATOM 7476 N NE2 . GLN F 2 6 ? 207.177 25.344 44.792 1.00 39.15 ? 6 GLN L NE2 1 ATOM 7477 N N . SER F 2 7 ? 207.219 30.363 46.759 1.00 56.42 ? 7 SER L N 1 ATOM 7478 C CA . SER F 2 7 ? 208.259 31.357 46.614 1.00 58.46 ? 7 SER L CA 1 ATOM 7479 C C . SER F 2 7 ? 209.599 30.770 47.041 1.00 59.82 ? 7 SER L C 1 ATOM 7480 O O . SER F 2 7 ? 209.674 30.050 48.037 1.00 59.13 ? 7 SER L O 1 ATOM 7481 C CB . SER F 2 7 ? 207.931 32.595 47.439 1.00 56.52 ? 7 SER L CB 1 ATOM 7482 O OG . SER F 2 7 ? 208.070 32.315 48.818 1.00 70.82 ? 7 SER L OG 1 ATOM 7483 N N . PRO F 2 8 ? 210.662 31.075 46.283 1.00 51.33 ? 8 PRO L N 1 ATOM 7484 C CA . PRO F 2 8 ? 210.581 31.845 45.039 1.00 50.67 ? 8 PRO L CA 1 ATOM 7485 C C . PRO F 2 8 ? 210.251 30.945 43.848 1.00 52.85 ? 8 PRO L C 1 ATOM 7486 O O . PRO F 2 8 ? 210.107 29.742 44.046 1.00 70.32 ? 8 PRO L O 1 ATOM 7487 C CB . PRO F 2 8 ? 211.981 32.438 44.917 1.00 49.73 ? 8 PRO L CB 1 ATOM 7488 C CG . PRO F 2 8 ? 212.852 31.395 45.540 1.00 38.80 ? 8 PRO L CG 1 ATOM 7489 C CD . PRO F 2 8 ? 212.060 30.827 46.684 1.00 42.28 ? 8 PRO L CD 1 ATOM 7490 N N . ASP F 2 9 ? 210.131 31.512 42.643 1.00 42.77 ? 9 ASP L N 1 ATOM 7491 C CA . ASP F 2 9 ? 209.850 30.702 41.458 1.00 50.77 ? 9 ASP L CA 1 ATOM 7492 C C . ASP F 2 9 ? 211.112 30.084 40.874 1.00 53.24 ? 9 ASP L C 1 ATOM 7493 O O . ASP F 2 9 ? 211.027 29.093 40.139 1.00 54.94 ? 9 ASP L O 1 ATOM 7494 C CB . ASP F 2 9 ? 209.148 31.545 40.384 1.00 70.29 ? 9 ASP L CB 1 ATOM 7495 C CG . ASP F 2 9 ? 207.737 31.965 40.783 1.00 95.50 ? 9 ASP L CG 1 ATOM 7496 O OD1 . ASP F 2 9 ? 207.089 31.232 41.566 1.00 107.43 ? 9 ASP L OD1 1 ATOM 7497 O OD2 . ASP F 2 9 ? 207.272 33.026 40.306 1.00 98.84 -1 9 ASP L OD2 1 ATOM 7498 N N . SER F 2 10 ? 212.275 30.663 41.175 1.00 48.95 ? 10 SER L N 1 ATOM 7499 C CA . SER F 2 10 ? 213.575 30.149 40.765 1.00 44.66 ? 10 SER L CA 1 ATOM 7500 C C . SER F 2 10 ? 214.548 30.325 41.915 1.00 45.86 ? 10 SER L C 1 ATOM 7501 O O . SER F 2 10 ? 214.547 31.353 42.594 1.00 47.97 ? 10 SER L O 1 ATOM 7502 C CB . SER F 2 10 ? 214.138 30.867 39.536 1.00 50.82 ? 10 SER L CB 1 ATOM 7503 O OG . SER F 2 10 ? 213.374 30.601 38.379 1.00 73.70 ? 10 SER L OG 1 ATOM 7504 N N . LEU F 2 11 ? 215.388 29.325 42.122 1.00 43.34 ? 11 LEU L N 1 ATOM 7505 C CA . LEU F 2 11 ? 216.338 29.350 43.222 1.00 43.06 ? 11 LEU L CA 1 ATOM 7506 C C . LEU F 2 11 ? 217.666 28.812 42.712 1.00 44.03 ? 11 LEU L C 1 ATOM 7507 O O . LEU F 2 11 ? 217.721 27.709 42.161 1.00 42.61 ? 11 LEU L O 1 ATOM 7508 C CB . LEU F 2 11 ? 215.811 28.523 44.393 1.00 35.19 ? 11 LEU L CB 1 ATOM 7509 C CG . LEU F 2 11 ? 216.631 28.515 45.671 1.00 48.31 ? 11 LEU L CG 1 ATOM 7510 C CD1 . LEU F 2 11 ? 216.908 29.923 46.122 1.00 41.10 ? 11 LEU L CD1 1 ATOM 7511 C CD2 . LEU F 2 11 ? 215.853 27.755 46.725 1.00 56.27 ? 11 LEU L CD2 1 ATOM 7512 N N . ALA F 2 12 ? 218.723 29.601 42.852 1.00 46.24 ? 12 ALA L N 1 ATOM 7513 C CA . ALA F 2 12 ? 220.064 29.182 42.469 1.00 33.12 ? 12 ALA L CA 1 ATOM 7514 C C . ALA F 2 12 ? 220.878 29.041 43.741 1.00 33.66 ? 12 ALA L C 1 ATOM 7515 O O . ALA F 2 12 ? 221.050 30.016 44.483 1.00 37.89 ? 12 ALA L O 1 ATOM 7516 C CB . ALA F 2 12 ? 220.720 30.174 41.506 1.00 30.12 ? 12 ALA L CB 1 ATOM 7517 N N . VAL F 2 13 ? 221.353 27.828 43.995 1.00 31.02 ? 13 VAL L N 1 ATOM 7518 C CA . VAL F 2 13 ? 222.084 27.479 45.206 1.00 42.87 ? 13 VAL L CA 1 ATOM 7519 C C . VAL F 2 13 ? 223.458 26.957 44.803 1.00 37.30 ? 13 VAL L C 1 ATOM 7520 O O . VAL F 2 13 ? 223.578 26.172 43.855 1.00 30.16 ? 13 VAL L O 1 ATOM 7521 C CB . VAL F 2 13 ? 221.320 26.415 46.029 1.00 45.14 ? 13 VAL L CB 1 ATOM 7522 C CG1 . VAL F 2 13 ? 221.898 26.285 47.429 1.00 47.66 ? 13 VAL L CG1 1 ATOM 7523 C CG2 . VAL F 2 13 ? 219.833 26.734 46.072 1.00 47.15 ? 13 VAL L CG2 1 ATOM 7524 N N . SER F 2 14 ? 224.491 27.388 45.520 1.00 37.41 ? 14 SER L N 1 ATOM 7525 C CA . SER F 2 14 ? 225.811 26.807 45.331 1.00 38.41 ? 14 SER L CA 1 ATOM 7526 C C . SER F 2 14 ? 225.818 25.360 45.808 1.00 41.59 ? 14 SER L C 1 ATOM 7527 O O . SER F 2 14 ? 225.123 24.996 46.763 1.00 47.54 ? 14 SER L O 1 ATOM 7528 C CB . SER F 2 14 ? 226.871 27.603 46.095 1.00 38.94 ? 14 SER L CB 1 ATOM 7529 O OG . SER F 2 14 ? 226.822 28.969 45.752 1.00 55.17 ? 14 SER L OG 1 ATOM 7530 N N . LEU F 2 15 ? 226.611 24.535 45.126 1.00 39.56 ? 15 LEU L N 1 ATOM 7531 C CA . LEU F 2 15 ? 226.798 23.152 45.534 1.00 30.87 ? 15 LEU L CA 1 ATOM 7532 C C . LEU F 2 15 ? 227.163 23.074 47.005 1.00 38.30 ? 15 LEU L C 1 ATOM 7533 O O . LEU F 2 15 ? 228.037 23.804 47.480 1.00 42.22 ? 15 LEU L O 1 ATOM 7534 C CB . LEU F 2 15 ? 227.897 22.502 44.693 1.00 36.87 ? 15 LEU L CB 1 ATOM 7535 C CG . LEU F 2 15 ? 227.492 22.037 43.299 1.00 44.44 ? 15 LEU L CG 1 ATOM 7536 C CD1 . LEU F 2 15 ? 228.668 21.340 42.670 1.00 45.46 ? 15 LEU L CD1 1 ATOM 7537 C CD2 . LEU F 2 15 ? 226.286 21.097 43.388 1.00 34.09 ? 15 LEU L CD2 1 ATOM 7538 N N . GLY F 2 16 ? 226.482 22.190 47.729 1.00 39.81 ? 16 GLY L N 1 ATOM 7539 C CA . GLY F 2 16 ? 226.752 22.013 49.135 1.00 36.34 ? 16 GLY L CA 1 ATOM 7540 C C . GLY F 2 16 ? 226.016 22.962 50.050 1.00 41.37 ? 16 GLY L C 1 ATOM 7541 O O . GLY F 2 16 ? 226.077 22.784 51.273 1.00 47.69 ? 16 GLY L O 1 ATOM 7542 N N . GLU F 2 17 ? 225.315 23.954 49.516 1.00 40.88 ? 17 GLU L N 1 ATOM 7543 C CA . GLU F 2 17 ? 224.640 24.926 50.363 1.00 47.86 ? 17 GLU L CA 1 ATOM 7544 C C . GLU F 2 17 ? 223.168 24.555 50.549 1.00 43.41 ? 17 GLU L C 1 ATOM 7545 O O . GLU F 2 17 ? 222.622 23.689 49.862 1.00 44.40 ? 17 GLU L O 1 ATOM 7546 C CB . GLU F 2 17 ? 224.792 26.338 49.785 1.00 45.83 ? 17 GLU L CB 1 ATOM 7547 C CG . GLU F 2 17 ? 226.244 26.774 49.573 1.00 58.16 ? 17 GLU L CG 1 ATOM 7548 C CD . GLU F 2 17 ? 226.943 27.220 50.851 1.00 81.16 ? 17 GLU L CD 1 ATOM 7549 O OE1 . GLU F 2 17 ? 226.471 26.877 51.958 1.00 96.77 ? 17 GLU L OE1 1 ATOM 7550 O OE2 . GLU F 2 17 ? 227.972 27.925 50.750 1.00 83.85 -1 17 GLU L OE2 1 ATOM 7551 N N . ARG F 2 18 ? 222.532 25.212 51.515 1.00 47.91 ? 18 ARG L N 1 ATOM 7552 C CA . ARG F 2 18 ? 221.144 24.937 51.857 1.00 37.48 ? 18 ARG L CA 1 ATOM 7553 C C . ARG F 2 18 ? 220.199 25.634 50.889 1.00 40.28 ? 18 ARG L C 1 ATOM 7554 O O . ARG F 2 18 ? 220.409 26.789 50.514 1.00 41.00 ? 18 ARG L O 1 ATOM 7555 C CB . ARG F 2 18 ? 220.836 25.386 53.284 1.00 52.31 ? 18 ARG L CB 1 ATOM 7556 C CG . ARG F 2 18 ? 219.571 24.784 53.844 1.00 69.42 ? 18 ARG L CG 1 ATOM 7557 C CD . ARG F 2 18 ? 219.474 25.018 55.333 1.00 77.46 ? 18 ARG L CD 1 ATOM 7558 N NE . ARG F 2 18 ? 219.104 26.396 55.626 1.00 92.44 ? 18 ARG L NE 1 ATOM 7559 C CZ . ARG F 2 18 ? 218.613 26.804 56.792 1.00 105.04 ? 18 ARG L CZ 1 ATOM 7560 N NH1 . ARG F 2 18 ? 218.430 25.933 57.776 1.00 99.37 1 18 ARG L NH1 1 ATOM 7561 N NH2 . ARG F 2 18 ? 218.300 28.080 56.971 1.00 113.85 ? 18 ARG L NH2 1 ATOM 7562 N N . ALA F 2 19 ? 219.168 24.911 50.470 1.00 37.68 ? 19 ALA L N 1 ATOM 7563 C CA . ALA F 2 19 ? 218.096 25.463 49.658 1.00 39.89 ? 19 ALA L CA 1 ATOM 7564 C C . ALA F 2 19 ? 216.801 25.418 50.454 1.00 40.50 ? 19 ALA L C 1 ATOM 7565 O O . ALA F 2 19 ? 216.505 24.425 51.123 1.00 51.71 ? 19 ALA L O 1 ATOM 7566 C CB . ALA F 2 19 ? 217.933 24.690 48.348 1.00 33.51 ? 19 ALA L CB 1 ATOM 7567 N N . THR F 2 20 ? 216.036 26.498 50.388 1.00 40.82 ? 20 THR L N 1 ATOM 7568 C CA A THR F 2 20 ? 214.777 26.600 51.106 0.73 43.59 ? 20 THR L CA 1 ATOM 7569 C CA B THR F 2 20 ? 214.776 26.604 51.107 0.27 45.76 ? 20 THR L CA 1 ATOM 7570 C C . THR F 2 20 ? 213.703 27.075 50.140 1.00 45.69 ? 20 THR L C 1 ATOM 7571 O O . THR F 2 20 ? 213.892 28.072 49.435 1.00 49.29 ? 20 THR L O 1 ATOM 7572 C CB A THR F 2 20 ? 214.911 27.546 52.308 0.73 53.66 ? 20 THR L CB 1 ATOM 7573 C CB B THR F 2 20 ? 214.896 27.560 52.306 0.27 53.54 ? 20 THR L CB 1 ATOM 7574 O OG1 A THR F 2 20 ? 215.650 26.889 53.347 0.73 52.61 ? 20 THR L OG1 1 ATOM 7575 O OG1 B THR F 2 20 ? 213.596 27.844 52.838 0.27 60.25 ? 20 THR L OG1 1 ATOM 7576 C CG2 A THR F 2 20 ? 213.548 27.948 52.844 0.73 61.16 ? 20 THR L CG2 1 ATOM 7577 C CG2 B THR F 2 20 ? 215.587 28.861 51.906 0.27 54.68 ? 20 THR L CG2 1 ATOM 7578 N N . ILE F 2 21 ? 212.595 26.343 50.087 1.00 36.94 ? 21 ILE L N 1 ATOM 7579 C CA . ILE F 2 21 ? 211.464 26.667 49.227 1.00 38.51 ? 21 ILE L CA 1 ATOM 7580 C C . ILE F 2 21 ? 210.245 26.856 50.113 1.00 39.37 ? 21 ILE L C 1 ATOM 7581 O O . ILE F 2 21 ? 209.985 26.040 51.005 1.00 40.45 ? 21 ILE L O 1 ATOM 7582 C CB . ILE F 2 21 ? 211.207 25.573 48.178 1.00 44.30 ? 21 ILE L CB 1 ATOM 7583 C CG1 . ILE F 2 21 ? 212.447 25.359 47.314 1.00 45.98 ? 21 ILE L CG1 1 ATOM 7584 C CG2 . ILE F 2 21 ? 210.003 25.940 47.307 1.00 51.30 ? 21 ILE L CG2 1 ATOM 7585 C CD1 . ILE F 2 21 ? 212.322 24.165 46.392 1.00 51.44 ? 21 ILE L CD1 1 ATOM 7586 N N . ASN F 2 22 ? 209.504 27.926 49.876 1.00 44.58 ? 22 ASN L N 1 ATOM 7587 C CA . ASN F 2 22 ? 208.352 28.241 50.701 1.00 48.26 ? 22 ASN L CA 1 ATOM 7588 C C . ASN F 2 22 ? 207.064 28.031 49.912 1.00 40.74 ? 22 ASN L C 1 ATOM 7589 O O . ASN F 2 22 ? 207.041 28.063 48.681 1.00 55.44 ? 22 ASN L O 1 ATOM 7590 C CB . ASN F 2 22 ? 208.440 29.677 51.231 1.00 51.86 ? 22 ASN L CB 1 ATOM 7591 C CG . ASN F 2 22 ? 207.424 29.953 52.325 1.00 87.36 ? 22 ASN L CG 1 ATOM 7592 O OD1 . ASN F 2 22 ? 206.299 30.383 52.054 1.00 88.88 ? 22 ASN L OD1 1 ATOM 7593 N ND2 . ASN F 2 22 ? 207.812 29.694 53.569 1.00 101.07 ? 22 ASN L ND2 1 ATOM 7594 N N . CYS F 2 23 ? 205.984 27.808 50.645 1.00 38.94 ? 23 CYS L N 1 ATOM 7595 C CA . CYS F 2 23 ? 204.680 27.568 50.041 1.00 55.52 ? 23 CYS L CA 1 ATOM 7596 C C . CYS F 2 23 ? 203.649 27.959 51.083 1.00 54.67 ? 23 CYS L C 1 ATOM 7597 O O . CYS F 2 23 ? 203.740 27.508 52.231 1.00 54.81 ? 23 CYS L O 1 ATOM 7598 C CB . CYS F 2 23 ? 204.552 26.093 49.615 1.00 64.18 ? 23 CYS L CB 1 ATOM 7599 S SG . CYS F 2 23 ? 202.928 25.439 49.173 1.00 79.59 ? 23 CYS L SG 1 ATOM 7600 N N . LYS F 2 24 ? 202.719 28.845 50.719 1.00 50.48 ? 24 LYS L N 1 ATOM 7601 C CA . LYS F 2 24 ? 201.637 29.208 51.622 1.00 57.43 ? 24 LYS L CA 1 ATOM 7602 C C . LYS F 2 24 ? 200.311 29.167 50.883 1.00 50.31 ? 24 LYS L C 1 ATOM 7603 O O . LYS F 2 24 ? 200.242 29.410 49.676 1.00 48.85 ? 24 LYS L O 1 ATOM 7604 C CB . LYS F 2 24 ? 201.844 30.590 52.254 1.00 70.68 ? 24 LYS L CB 1 ATOM 7605 C CG . LYS F 2 24 ? 202.123 31.705 51.276 1.00 77.12 ? 24 LYS L CG 1 ATOM 7606 C CD . LYS F 2 24 ? 202.696 32.907 52.014 1.00 87.31 ? 24 LYS L CD 1 ATOM 7607 C CE . LYS F 2 24 ? 203.868 32.495 52.904 1.00 82.98 ? 24 LYS L CE 1 ATOM 7608 N NZ . LYS F 2 24 ? 204.525 33.655 53.569 1.00 81.56 1 24 LYS L NZ 1 ATOM 7609 N N . SER F 2 25 ? 199.258 28.852 51.627 1.00 54.41 ? 25 SER L N 1 ATOM 7610 C CA . SER F 2 25 ? 197.924 28.785 51.061 1.00 52.10 ? 25 SER L CA 1 ATOM 7611 C C . SER F 2 25 ? 197.192 30.095 51.296 1.00 55.88 ? 25 SER L C 1 ATOM 7612 O O . SER F 2 25 ? 197.503 30.850 52.222 1.00 59.11 ? 25 SER L O 1 ATOM 7613 C CB . SER F 2 25 ? 197.128 27.623 51.663 1.00 58.95 ? 25 SER L CB 1 ATOM 7614 O OG . SER F 2 25 ? 196.877 27.828 53.041 1.00 75.55 ? 25 SER L OG 1 ATOM 7615 N N . SER F 2 26 ? 196.214 30.362 50.432 1.00 64.37 ? 26 SER L N 1 ATOM 7616 C CA . SER F 2 26 ? 195.352 31.526 50.573 1.00 66.75 ? 26 SER L CA 1 ATOM 7617 C C . SER F 2 26 ? 194.265 31.329 51.618 1.00 71.22 ? 26 SER L C 1 ATOM 7618 O O . SER F 2 26 ? 193.464 32.244 51.833 1.00 93.10 ? 26 SER L O 1 ATOM 7619 C CB . SER F 2 26 ? 194.719 31.863 49.224 1.00 67.27 ? 26 SER L CB 1 ATOM 7620 O OG . SER F 2 26 ? 194.096 30.717 48.670 1.00 73.88 ? 26 SER L OG 1 ATOM 7621 N N . GLN F 2 27 ? 194.213 30.167 52.262 1.00 75.44 ? 27 GLN L N 1 ATOM 7622 C CA . GLN F 2 27 ? 193.247 29.909 53.323 1.00 94.51 ? 27 GLN L CA 1 ATOM 7623 C C . GLN F 2 27 ? 193.955 29.475 54.602 1.00 103.18 ? 27 GLN L C 1 ATOM 7624 O O . GLN F 2 27 ? 193.958 30.201 55.596 1.00 112.89 ? 27 GLN L O 1 ATOM 7625 C CB . GLN F 2 27 ? 192.238 28.841 52.890 1.00 100.31 ? 27 GLN L CB 1 ATOM 7626 C CG . GLN F 2 27 ? 191.168 29.341 51.930 1.00 106.55 ? 27 GLN L CG 1 ATOM 7627 C CD . GLN F 2 27 ? 190.219 30.332 52.577 1.00 113.76 ? 27 GLN L CD 1 ATOM 7628 O OE1 . GLN F 2 27 ? 190.001 30.301 53.790 1.00 122.41 ? 27 GLN L OE1 1 ATOM 7629 N NE2 . GLN F 2 27 ? 189.650 31.220 51.769 1.00 110.12 ? 27 GLN L NE2 1 ATOM 7630 N N . LYS F 2 36 ? 197.676 15.887 60.265 1.00 117.76 ? 30 LYS L N 1 ATOM 7631 C CA . LYS F 2 36 ? 196.878 17.074 60.558 1.00 118.85 ? 30 LYS L CA 1 ATOM 7632 C C . LYS F 2 36 ? 197.064 18.145 59.473 1.00 112.40 ? 30 LYS L C 1 ATOM 7633 O O . LYS F 2 36 ? 196.107 18.812 59.074 1.00 114.31 ? 30 LYS L O 1 ATOM 7634 C CB . LYS F 2 36 ? 197.237 17.628 61.942 1.00 121.85 ? 30 LYS L CB 1 ATOM 7635 C CG . LYS F 2 36 ? 198.729 17.633 62.248 1.00 125.48 ? 30 LYS L CG 1 ATOM 7636 C CD . LYS F 2 36 ? 199.001 17.947 63.713 1.00 125.18 ? 30 LYS L CD 1 ATOM 7637 C CE . LYS F 2 36 ? 200.485 17.839 64.036 1.00 124.53 ? 30 LYS L CE 1 ATOM 7638 N NZ . LYS F 2 36 ? 200.754 18.008 65.492 1.00 122.71 1 30 LYS L NZ 1 ATOM 7639 N N . ASN F 2 37 ? 198.296 18.297 58.993 1.00 97.92 ? 31 ASN L N 1 ATOM 7640 C CA . ASN F 2 37 ? 198.614 19.206 57.896 1.00 83.97 ? 31 ASN L CA 1 ATOM 7641 C C . ASN F 2 37 ? 198.935 18.372 56.663 1.00 73.87 ? 31 ASN L C 1 ATOM 7642 O O . ASN F 2 37 ? 199.960 17.687 56.626 1.00 70.50 ? 31 ASN L O 1 ATOM 7643 C CB . ASN F 2 37 ? 199.784 20.114 58.258 1.00 77.63 ? 31 ASN L CB 1 ATOM 7644 C CG . ASN F 2 37 ? 199.401 21.179 59.257 1.00 90.33 ? 31 ASN L CG 1 ATOM 7645 O OD1 . ASN F 2 37 ? 200.051 21.338 60.290 1.00 95.91 ? 31 ASN L OD1 1 ATOM 7646 N ND2 . ASN F 2 37 ? 198.337 21.917 58.958 1.00 96.61 ? 31 ASN L ND2 1 ATOM 7647 N N . TYR F 2 38 ? 198.056 18.421 55.659 1.00 76.12 ? 32 TYR L N 1 ATOM 7648 C CA . TYR F 2 38 ? 198.257 17.666 54.421 1.00 83.34 ? 32 TYR L CA 1 ATOM 7649 C C . TYR F 2 38 ? 198.987 18.544 53.417 1.00 78.69 ? 32 TYR L C 1 ATOM 7650 O O . TYR F 2 38 ? 198.403 19.112 52.497 1.00 87.92 ? 32 TYR L O 1 ATOM 7651 C CB . TYR F 2 38 ? 196.938 17.179 53.839 1.00 93.95 ? 32 TYR L CB 1 ATOM 7652 C CG . TYR F 2 38 ? 195.981 16.563 54.816 1.00 104.77 ? 32 TYR L CG 1 ATOM 7653 C CD1 . TYR F 2 38 ? 196.337 15.451 55.566 1.00 108.00 ? 32 TYR L CD1 1 ATOM 7654 C CD2 . TYR F 2 38 ? 194.700 17.077 54.960 1.00 104.90 ? 32 TYR L CD2 1 ATOM 7655 C CE1 . TYR F 2 38 ? 195.446 14.883 56.451 1.00 111.17 ? 32 TYR L CE1 1 ATOM 7656 C CE2 . TYR F 2 38 ? 193.806 16.519 55.835 1.00 108.27 ? 32 TYR L CE2 1 ATOM 7657 C CZ . TYR F 2 38 ? 194.177 15.424 56.581 1.00 113.46 ? 32 TYR L CZ 1 ATOM 7658 O OH . TYR F 2 38 ? 193.268 14.875 57.457 1.00 117.43 ? 32 TYR L OH 1 ATOM 7659 N N . LEU F 2 39 ? 200.292 18.650 53.607 1.00 61.04 ? 33 LEU L N 1 ATOM 7660 C CA . LEU F 2 39 ? 201.175 19.245 52.624 1.00 52.71 ? 33 LEU L CA 1 ATOM 7661 C C . LEU F 2 39 ? 202.046 18.137 52.055 1.00 48.18 ? 33 LEU L C 1 ATOM 7662 O O . LEU F 2 39 ? 202.542 17.288 52.804 1.00 47.60 ? 33 LEU L O 1 ATOM 7663 C CB . LEU F 2 39 ? 202.029 20.348 53.251 1.00 51.66 ? 33 LEU L CB 1 ATOM 7664 C CG . LEU F 2 39 ? 202.481 21.494 52.349 1.00 46.50 ? 33 LEU L CG 1 ATOM 7665 C CD1 . LEU F 2 39 ? 203.695 21.082 51.556 1.00 39.14 ? 33 LEU L CD1 1 ATOM 7666 C CD2 . LEU F 2 39 ? 201.361 21.953 51.428 1.00 46.80 ? 33 LEU L CD2 1 ATOM 7667 N N . ALA F 2 40 ? 202.209 18.127 50.736 1.00 38.66 ? 34 ALA L N 1 ATOM 7668 C CA . ALA F 2 40 ? 203.099 17.176 50.088 1.00 42.30 ? 34 ALA L CA 1 ATOM 7669 C C . ALA F 2 40 ? 204.065 17.930 49.193 1.00 40.45 ? 34 ALA L C 1 ATOM 7670 O O . ALA F 2 40 ? 203.703 18.949 48.607 1.00 34.65 ? 34 ALA L O 1 ATOM 7671 C CB . ALA F 2 40 ? 202.323 16.127 49.283 1.00 36.58 ? 34 ALA L CB 1 ATOM 7672 N N . TRP F 2 41 ? 205.292 17.430 49.094 1.00 33.90 ? 35 TRP L N 1 ATOM 7673 C CA . TRP F 2 41 ? 206.315 18.021 48.240 1.00 32.55 ? 35 TRP L CA 1 ATOM 7674 C C . TRP F 2 41 ? 206.736 17.026 47.174 1.00 32.21 ? 35 TRP L C 1 ATOM 7675 O O . TRP F 2 41 ? 206.982 15.857 47.480 1.00 36.58 ? 35 TRP L O 1 ATOM 7676 C CB . TRP F 2 41 ? 207.526 18.449 49.060 1.00 32.32 ? 35 TRP L CB 1 ATOM 7677 C CG . TRP F 2 41 ? 207.280 19.637 49.940 1.00 38.67 ? 35 TRP L CG 1 ATOM 7678 C CD1 . TRP F 2 41 ? 207.011 19.625 51.280 1.00 35.99 ? 35 TRP L CD1 1 ATOM 7679 C CD2 . TRP F 2 41 ? 207.292 21.016 49.546 1.00 40.94 ? 35 TRP L CD2 1 ATOM 7680 N NE1 . TRP F 2 41 ? 206.863 20.911 51.745 1.00 38.39 ? 35 TRP L NE1 1 ATOM 7681 C CE2 . TRP F 2 41 ? 207.028 21.783 50.700 1.00 32.73 ? 35 TRP L CE2 1 ATOM 7682 C CE3 . TRP F 2 41 ? 207.498 21.677 48.329 1.00 30.82 ? 35 TRP L CE3 1 ATOM 7683 C CZ2 . TRP F 2 41 ? 206.963 23.175 50.673 1.00 32.54 ? 35 TRP L CZ2 1 ATOM 7684 C CZ3 . TRP F 2 41 ? 207.442 23.062 48.308 1.00 38.02 ? 35 TRP L CZ3 1 ATOM 7685 C CH2 . TRP F 2 41 ? 207.179 23.794 49.472 1.00 31.47 ? 35 TRP L CH2 1 ATOM 7686 N N . TYR F 2 42 ? 206.824 17.489 45.931 1.00 33.51 ? 36 TYR L N 1 ATOM 7687 C CA . TYR F 2 42 ? 207.192 16.647 44.803 1.00 35.68 ? 36 TYR L CA 1 ATOM 7688 C C . TYR F 2 42 ? 208.426 17.205 44.112 1.00 32.53 ? 36 TYR L C 1 ATOM 7689 O O . TYR F 2 42 ? 208.684 18.408 44.145 1.00 42.62 ? 36 TYR L O 1 ATOM 7690 C CB . TYR F 2 42 ? 206.064 16.541 43.780 1.00 31.33 ? 36 TYR L CB 1 ATOM 7691 C CG . TYR F 2 42 ? 204.789 15.949 44.316 1.00 33.69 ? 36 TYR L CG 1 ATOM 7692 C CD1 . TYR F 2 42 ? 203.876 16.732 45.028 1.00 33.06 ? 36 TYR L CD1 1 ATOM 7693 C CD2 . TYR F 2 42 ? 204.479 14.612 44.096 1.00 33.61 ? 36 TYR L CD2 1 ATOM 7694 C CE1 . TYR F 2 42 ? 202.696 16.188 45.513 1.00 40.19 ? 36 TYR L CE1 1 ATOM 7695 C CE2 . TYR F 2 42 ? 203.304 14.064 44.581 1.00 43.88 ? 36 TYR L CE2 1 ATOM 7696 C CZ . TYR F 2 42 ? 202.416 14.856 45.281 1.00 38.55 ? 36 TYR L CZ 1 ATOM 7697 O OH . TYR F 2 42 ? 201.253 14.299 45.759 1.00 53.18 ? 36 TYR L OH 1 ATOM 7698 N N . GLN F 2 43 ? 209.182 16.317 43.478 1.00 38.34 ? 37 GLN L N 1 ATOM 7699 C CA . GLN F 2 43 ? 210.335 16.683 42.668 1.00 29.00 ? 37 GLN L CA 1 ATOM 7700 C C . GLN F 2 43 ? 210.102 16.202 41.243 1.00 33.83 ? 37 GLN L C 1 ATOM 7701 O O . GLN F 2 43 ? 209.758 15.033 41.030 1.00 29.85 ? 37 GLN L O 1 ATOM 7702 C CB . GLN F 2 43 ? 211.610 16.066 43.239 1.00 36.41 ? 37 GLN L CB 1 ATOM 7703 C CG . GLN F 2 43 ? 212.828 16.250 42.367 1.00 41.71 ? 37 GLN L CG 1 ATOM 7704 C CD . GLN F 2 43 ? 213.963 15.345 42.790 1.00 46.50 ? 37 GLN L CD 1 ATOM 7705 O OE1 . GLN F 2 43 ? 213.888 14.125 42.637 1.00 45.82 ? 37 GLN L OE1 1 ATOM 7706 N NE2 . GLN F 2 43 ? 215.011 15.934 43.350 1.00 46.69 ? 37 GLN L NE2 1 ATOM 7707 N N . GLN F 2 44 ? 210.273 17.094 40.271 1.00 28.12 ? 38 GLN L N 1 ATOM 7708 C CA . GLN F 2 44 ? 210.080 16.731 38.871 1.00 40.66 ? 38 GLN L CA 1 ATOM 7709 C C . GLN F 2 44 ? 211.310 17.095 38.050 1.00 35.70 ? 38 GLN L C 1 ATOM 7710 O O . GLN F 2 44 ? 211.749 18.248 38.047 1.00 43.97 ? 38 GLN L O 1 ATOM 7711 C CB . GLN F 2 44 ? 208.836 17.399 38.277 1.00 31.98 ? 38 GLN L CB 1 ATOM 7712 C CG . GLN F 2 44 ? 208.512 16.930 36.863 1.00 28.60 ? 38 GLN L CG 1 ATOM 7713 C CD . GLN F 2 44 ? 207.263 17.583 36.297 1.00 37.92 ? 38 GLN L CD 1 ATOM 7714 O OE1 . GLN F 2 44 ? 206.463 16.941 35.612 1.00 34.72 ? 38 GLN L OE1 1 ATOM 7715 N NE2 . GLN F 2 44 ? 207.089 18.866 36.583 1.00 28.28 ? 38 GLN L NE2 1 ATOM 7716 N N . LYS F 2 45 ? 211.847 16.110 37.352 1.00 39.59 ? 39 LYS L N 1 ATOM 7717 C CA . LYS F 2 45 ? 212.949 16.244 36.421 1.00 41.14 ? 39 LYS L CA 1 ATOM 7718 C C . LYS F 2 45 ? 212.428 16.162 34.993 1.00 53.33 ? 39 LYS L C 1 ATOM 7719 O O . LYS F 2 45 ? 211.292 15.730 34.764 1.00 41.54 ? 39 LYS L O 1 ATOM 7720 C CB . LYS F 2 45 ? 213.994 15.146 36.684 1.00 28.56 ? 39 LYS L CB 1 ATOM 7721 C CG . LYS F 2 45 ? 214.685 15.351 38.033 1.00 34.06 ? 39 LYS L CG 1 ATOM 7722 C CD . LYS F 2 45 ? 215.854 14.436 38.248 1.00 39.37 ? 39 LYS L CD 1 ATOM 7723 C CE . LYS F 2 45 ? 216.442 14.653 39.633 1.00 40.41 ? 39 LYS L CE 1 ATOM 7724 N NZ . LYS F 2 45 ? 217.462 13.603 39.966 1.00 58.33 1 39 LYS L NZ 1 ATOM 7725 N N . PRO F 2 46 ? 213.214 16.600 34.007 1.00 59.31 ? 40 PRO L N 1 ATOM 7726 C CA . PRO F 2 46 ? 212.733 16.593 32.617 1.00 50.91 ? 40 PRO L CA 1 ATOM 7727 C C . PRO F 2 46 ? 212.344 15.202 32.134 1.00 45.66 ? 40 PRO L C 1 ATOM 7728 O O . PRO F 2 46 ? 213.041 14.214 32.377 1.00 49.68 ? 40 PRO L O 1 ATOM 7729 C CB . PRO F 2 46 ? 213.929 17.144 31.836 1.00 51.70 ? 40 PRO L CB 1 ATOM 7730 C CG . PRO F 2 46 ? 214.597 18.050 32.814 1.00 51.56 ? 40 PRO L CG 1 ATOM 7731 C CD . PRO F 2 46 ? 214.461 17.372 34.149 1.00 51.77 ? 40 PRO L CD 1 ATOM 7732 N N . GLY F 2 47 ? 211.206 15.138 31.441 1.00 47.75 ? 41 GLY L N 1 ATOM 7733 C CA . GLY F 2 47 ? 210.705 13.907 30.866 1.00 44.31 ? 41 GLY L CA 1 ATOM 7734 C C . GLY F 2 47 ? 210.088 12.936 31.845 1.00 46.93 ? 41 GLY L C 1 ATOM 7735 O O . GLY F 2 47 ? 209.710 11.829 31.439 1.00 54.43 ? 41 GLY L O 1 ATOM 7736 N N . GLN F 2 48 ? 209.971 13.302 33.116 1.00 44.07 ? 42 GLN L N 1 ATOM 7737 C CA . GLN F 2 48 ? 209.469 12.358 34.095 1.00 51.96 ? 42 GLN L CA 1 ATOM 7738 C C . GLN F 2 48 ? 208.265 12.944 34.825 1.00 48.75 ? 42 GLN L C 1 ATOM 7739 O O . GLN F 2 48 ? 208.118 14.167 34.903 1.00 38.88 ? 42 GLN L O 1 ATOM 7740 C CB . GLN F 2 48 ? 210.563 11.989 35.107 1.00 57.51 ? 42 GLN L CB 1 ATOM 7741 C CG . GLN F 2 48 ? 211.728 11.196 34.521 1.00 59.92 ? 42 GLN L CG 1 ATOM 7742 C CD . GLN F 2 48 ? 212.800 10.877 35.553 1.00 74.61 ? 42 GLN L CD 1 ATOM 7743 O OE1 . GLN F 2 48 ? 212.924 11.560 36.569 1.00 69.79 ? 42 GLN L OE1 1 ATOM 7744 N NE2 . GLN F 2 48 ? 213.575 9.828 35.297 1.00 94.24 ? 42 GLN L NE2 1 ATOM 7745 N N . PRO F 2 49 ? 207.379 12.101 35.354 1.00 50.67 ? 43 PRO L N 1 ATOM 7746 C CA . PRO F 2 49 ? 206.305 12.602 36.211 1.00 45.70 ? 43 PRO L CA 1 ATOM 7747 C C . PRO F 2 49 ? 206.879 13.136 37.509 1.00 45.70 ? 43 PRO L C 1 ATOM 7748 O O . PRO F 2 49 ? 208.022 12.812 37.861 1.00 55.80 ? 43 PRO L O 1 ATOM 7749 C CB . PRO F 2 49 ? 205.442 11.357 36.458 1.00 34.87 ? 43 PRO L CB 1 ATOM 7750 C CG . PRO F 2 49 ? 206.393 10.218 36.300 1.00 44.72 ? 43 PRO L CG 1 ATOM 7751 C CD . PRO F 2 49 ? 207.320 10.634 35.200 1.00 40.86 ? 43 PRO L CD 1 ATOM 7752 N N . PRO F 2 50 ? 206.124 13.951 38.245 1.00 48.06 ? 44 PRO L N 1 ATOM 7753 C CA . PRO F 2 50 ? 206.580 14.357 39.578 1.00 46.98 ? 44 PRO L CA 1 ATOM 7754 C C . PRO F 2 50 ? 206.765 13.140 40.474 1.00 47.51 ? 44 PRO L C 1 ATOM 7755 O O . PRO F 2 50 ? 206.056 12.136 40.354 1.00 48.71 ? 44 PRO L O 1 ATOM 7756 C CB . PRO F 2 50 ? 205.449 15.262 40.087 1.00 49.54 ? 44 PRO L CB 1 ATOM 7757 C CG . PRO F 2 50 ? 204.638 15.615 38.883 1.00 36.19 ? 44 PRO L CG 1 ATOM 7758 C CD . PRO F 2 50 ? 204.777 14.469 37.941 1.00 38.52 ? 44 PRO L CD 1 ATOM 7759 N N . LYS F 2 51 ? 207.742 13.236 41.372 1.00 39.14 ? 45 LYS L N 1 ATOM 7760 C CA . LYS F 2 51 ? 208.049 12.184 42.334 1.00 34.52 ? 45 LYS L CA 1 ATOM 7761 C C . LYS F 2 51 ? 207.802 12.703 43.747 1.00 37.34 ? 45 LYS L C 1 ATOM 7762 O O . LYS F 2 51 ? 208.270 13.789 44.109 1.00 38.23 ? 45 LYS L O 1 ATOM 7763 C CB . LYS F 2 51 ? 209.495 11.713 42.149 1.00 35.69 ? 45 LYS L CB 1 ATOM 7764 C CG . LYS F 2 51 ? 210.054 10.818 43.236 1.00 52.98 ? 45 LYS L CG 1 ATOM 7765 C CD . LYS F 2 51 ? 211.572 10.697 43.071 1.00 63.45 ? 45 LYS L CD 1 ATOM 7766 C CE . LYS F 2 51 ? 212.241 10.119 44.313 1.00 72.27 ? 45 LYS L CE 1 ATOM 7767 N NZ . LYS F 2 51 ? 213.703 10.418 44.353 1.00 81.45 1 45 LYS L NZ 1 ATOM 7768 N N . LEU F 2 52 ? 207.051 11.939 44.534 1.00 36.15 ? 46 LEU L N 1 ATOM 7769 C CA . LEU F 2 52 ? 206.722 12.340 45.896 1.00 35.91 ? 46 LEU L CA 1 ATOM 7770 C C . LEU F 2 52 ? 207.944 12.229 46.804 1.00 43.51 ? 46 LEU L C 1 ATOM 7771 O O . LEU F 2 52 ? 208.553 11.159 46.909 1.00 50.70 ? 46 LEU L O 1 ATOM 7772 C CB . LEU F 2 52 ? 205.587 11.480 46.430 1.00 36.29 ? 46 LEU L CB 1 ATOM 7773 C CG . LEU F 2 52 ? 205.207 11.645 47.898 1.00 51.45 ? 46 LEU L CG 1 ATOM 7774 C CD1 . LEU F 2 52 ? 204.736 13.055 48.174 1.00 36.32 ? 46 LEU L CD1 1 ATOM 7775 C CD2 . LEU F 2 52 ? 204.121 10.646 48.240 1.00 40.80 ? 46 LEU L CD2 1 ATOM 7776 N N . LEU F 2 53 ? 208.285 13.332 47.473 1.00 46.22 ? 47 LEU L N 1 ATOM 7777 C CA . LEU F 2 53 ? 209.364 13.393 48.452 1.00 40.42 ? 47 LEU L CA 1 ATOM 7778 C C . LEU F 2 53 ? 208.857 13.387 49.890 1.00 46.92 ? 47 LEU L C 1 ATOM 7779 O O . LEU F 2 53 ? 209.339 12.605 50.716 1.00 46.28 ? 47 LEU L O 1 ATOM 7780 C CB . LEU F 2 53 ? 210.200 14.658 48.242 1.00 36.68 ? 47 LEU L CB 1 ATOM 7781 C CG . LEU F 2 53 ? 210.890 14.946 46.922 1.00 41.03 ? 47 LEU L CG 1 ATOM 7782 C CD1 . LEU F 2 53 ? 211.692 16.208 47.115 1.00 36.87 ? 47 LEU L CD1 1 ATOM 7783 C CD2 . LEU F 2 53 ? 211.783 13.796 46.529 1.00 35.99 ? 47 LEU L CD2 1 ATOM 7784 N N . ILE F 2 54 ? 207.906 14.272 50.200 1.00 35.25 ? 48 ILE L N 1 ATOM 7785 C CA . ILE F 2 54 ? 207.418 14.536 51.548 1.00 42.87 ? 48 ILE L CA 1 ATOM 7786 C C . ILE F 2 54 ? 205.895 14.508 51.516 1.00 49.54 ? 48 ILE L C 1 ATOM 7787 O O . ILE F 2 54 ? 205.283 15.058 50.594 1.00 47.66 ? 48 ILE L O 1 ATOM 7788 C CB . ILE F 2 54 ? 207.899 15.916 52.069 1.00 47.39 ? 48 ILE L CB 1 ATOM 7789 C CG1 . ILE F 2 54 ? 209.422 16.069 51.968 1.00 47.71 ? 48 ILE L CG1 1 ATOM 7790 C CG2 . ILE F 2 54 ? 207.380 16.189 53.485 1.00 36.87 ? 48 ILE L CG2 1 ATOM 7791 C CD1 . ILE F 2 54 ? 210.199 15.025 52.711 1.00 50.26 ? 48 ILE L CD1 1 ATOM 7792 N N . TYR F 2 55 ? 205.287 13.880 52.524 1.00 49.34 ? 49 TYR L N 1 ATOM 7793 C CA . TYR F 2 55 ? 203.844 13.943 52.749 1.00 47.48 ? 49 TYR L CA 1 ATOM 7794 C C . TYR F 2 55 ? 203.589 14.175 54.238 1.00 47.93 ? 49 TYR L C 1 ATOM 7795 O O . TYR F 2 55 ? 204.473 13.972 55.074 1.00 45.02 ? 49 TYR L O 1 ATOM 7796 C CB . TYR F 2 55 ? 203.127 12.671 52.253 1.00 40.15 ? 49 TYR L CB 1 ATOM 7797 C CG . TYR F 2 55 ? 203.584 11.381 52.902 1.00 41.34 ? 49 TYR L CG 1 ATOM 7798 C CD1 . TYR F 2 55 ? 203.012 10.936 54.088 1.00 52.45 ? 49 TYR L CD1 1 ATOM 7799 C CD2 . TYR F 2 55 ? 204.578 10.598 52.325 1.00 49.44 ? 49 TYR L CD2 1 ATOM 7800 C CE1 . TYR F 2 55 ? 203.421 9.752 54.686 1.00 45.32 ? 49 TYR L CE1 1 ATOM 7801 C CE2 . TYR F 2 55 ? 204.995 9.411 52.919 1.00 45.04 ? 49 TYR L CE2 1 ATOM 7802 C CZ . TYR F 2 55 ? 204.410 8.996 54.098 1.00 49.15 ? 49 TYR L CZ 1 ATOM 7803 O OH . TYR F 2 55 ? 204.815 7.824 54.699 1.00 60.64 ? 49 TYR L OH 1 ATOM 7804 N N . TRP F 2 56 ? 202.367 14.608 54.565 1.00 53.12 ? 50 TRP L N 1 ATOM 7805 C CA . TRP F 2 56 ? 202.016 15.046 55.923 1.00 50.54 ? 50 TRP L CA 1 ATOM 7806 C C . TRP F 2 56 ? 202.977 16.131 56.408 1.00 49.16 ? 50 TRP L C 1 ATOM 7807 O O . TRP F 2 56 ? 203.405 16.145 57.564 1.00 57.07 ? 50 TRP L O 1 ATOM 7808 C CB . TRP F 2 56 ? 201.966 13.869 56.908 1.00 44.11 ? 50 TRP L CB 1 ATOM 7809 C CG . TRP F 2 56 ? 200.734 13.018 56.763 1.00 55.69 ? 50 TRP L CG 1 ATOM 7810 C CD1 . TRP F 2 56 ? 199.507 13.420 56.305 1.00 60.77 ? 50 TRP L CD1 1 ATOM 7811 C CD2 . TRP F 2 56 ? 200.613 11.617 57.053 1.00 69.46 ? 50 TRP L CD2 1 ATOM 7812 N NE1 . TRP F 2 56 ? 198.631 12.359 56.302 1.00 66.23 ? 50 TRP L NE1 1 ATOM 7813 C CE2 . TRP F 2 56 ? 199.285 11.241 56.754 1.00 74.01 ? 50 TRP L CE2 1 ATOM 7814 C CE3 . TRP F 2 56 ? 201.496 10.645 57.542 1.00 77.24 ? 50 TRP L CE3 1 ATOM 7815 C CZ2 . TRP F 2 56 ? 198.820 9.934 56.924 1.00 78.65 ? 50 TRP L CZ2 1 ATOM 7816 C CZ3 . TRP F 2 56 ? 201.030 9.346 57.714 1.00 77.93 ? 50 TRP L CZ3 1 ATOM 7817 C CH2 . TRP F 2 56 ? 199.705 9.004 57.403 1.00 78.28 ? 50 TRP L CH2 1 ATOM 7818 N N . ALA F 2 57 ? 203.328 17.037 55.491 1.00 53.98 ? 51 ALA L N 1 ATOM 7819 C CA . ALA F 2 57 ? 204.143 18.225 55.739 1.00 54.36 ? 51 ALA L CA 1 ATOM 7820 C C . ALA F 2 57 ? 205.603 17.900 56.031 1.00 53.11 ? 51 ALA L C 1 ATOM 7821 O O . ALA F 2 57 ? 206.499 18.674 55.672 1.00 51.54 ? 51 ALA L O 1 ATOM 7822 C CB . ALA F 2 57 ? 203.563 19.054 56.888 1.00 56.21 ? 51 ALA L CB 1 ATOM 7823 N N . SER F 2 58 ? 205.859 16.770 56.672 1.00 45.73 ? 52 SER L N 1 ATOM 7824 C CA . SER F 2 58 ? 207.208 16.506 57.153 1.00 45.48 ? 52 SER L CA 1 ATOM 7825 C C . SER F 2 58 ? 207.599 15.037 57.149 1.00 47.98 ? 52 SER L C 1 ATOM 7826 O O . SER F 2 58 ? 208.738 14.737 57.510 1.00 46.50 ? 52 SER L O 1 ATOM 7827 C CB . SER F 2 58 ? 207.377 17.076 58.572 1.00 47.74 ? 52 SER L CB 1 ATOM 7828 O OG . SER F 2 58 ? 206.451 16.491 59.474 1.00 57.33 ? 52 SER L OG 1 ATOM 7829 N N . THR F 2 59 ? 206.726 14.111 56.760 1.00 45.96 ? 53 THR L N 1 ATOM 7830 C CA . THR F 2 59 ? 207.125 12.712 56.715 1.00 50.24 ? 53 THR L CA 1 ATOM 7831 C C . THR F 2 59 ? 207.752 12.405 55.364 1.00 52.84 ? 53 THR L C 1 ATOM 7832 O O . THR F 2 59 ? 207.174 12.699 54.314 1.00 57.09 ? 53 THR L O 1 ATOM 7833 C CB . THR F 2 59 ? 205.946 11.777 56.988 1.00 54.11 ? 53 THR L CB 1 ATOM 7834 O OG1 . THR F 2 59 ? 205.520 11.940 58.348 1.00 55.34 ? 53 THR L OG1 1 ATOM 7835 C CG2 . THR F 2 59 ? 206.359 10.324 56.765 1.00 44.37 ? 53 THR L CG2 1 ATOM 7836 N N . ARG F 2 60 ? 208.944 11.822 55.404 1.00 51.51 ? 54 ARG L N 1 ATOM 7837 C CA . ARG F 2 60 ? 209.735 11.563 54.215 1.00 45.65 ? 54 ARG L CA 1 ATOM 7838 C C . ARG F 2 60 ? 209.374 10.207 53.617 1.00 54.14 ? 54 ARG L C 1 ATOM 7839 O O . ARG F 2 60 ? 209.301 9.200 54.330 1.00 69.41 ? 54 ARG L O 1 ATOM 7840 C CB . ARG F 2 60 ? 211.221 11.625 54.564 1.00 44.48 ? 54 ARG L CB 1 ATOM 7841 C CG . ARG F 2 60 ? 212.136 11.678 53.370 1.00 62.40 ? 54 ARG L CG 1 ATOM 7842 C CD . ARG F 2 60 ? 213.556 12.068 53.768 1.00 69.23 ? 54 ARG L CD 1 ATOM 7843 N NE . ARG F 2 60 ? 214.014 11.350 54.952 1.00 76.64 ? 54 ARG L NE 1 ATOM 7844 C CZ . ARG F 2 60 ? 214.192 11.918 56.139 1.00 82.42 ? 54 ARG L CZ 1 ATOM 7845 N NH1 . ARG F 2 60 ? 213.959 13.221 56.290 1.00 72.84 1 54 ARG L NH1 1 ATOM 7846 N NH2 . ARG F 2 60 ? 214.604 11.184 57.168 1.00 82.56 ? 54 ARG L NH2 1 ATOM 7847 N N . GLU F 2 61 ? 209.132 10.200 52.309 1.00 49.52 ? 55 GLU L N 1 ATOM 7848 C CA . GLU F 2 61 ? 208.907 8.979 51.549 1.00 53.41 ? 55 GLU L CA 1 ATOM 7849 C C . GLU F 2 61 ? 210.115 8.044 51.667 1.00 66.33 ? 55 GLU L C 1 ATOM 7850 O O . GLU F 2 61 ? 211.235 8.469 51.971 1.00 73.43 ? 55 GLU L O 1 ATOM 7851 C CB . GLU F 2 61 ? 208.633 9.340 50.082 1.00 46.52 ? 55 GLU L CB 1 ATOM 7852 C CG . GLU F 2 61 ? 208.278 8.188 49.147 1.00 62.48 ? 55 GLU L CG 1 ATOM 7853 C CD . GLU F 2 61 ? 206.820 7.786 49.242 1.00 77.11 ? 55 GLU L CD 1 ATOM 7854 O OE1 . GLU F 2 61 ? 206.062 8.480 49.948 1.00 86.36 ? 55 GLU L OE1 1 ATOM 7855 O OE2 . GLU F 2 61 ? 206.430 6.783 48.607 1.00 81.46 -1 55 GLU L OE2 1 ATOM 7856 N N . SER F 2 62 ? 209.878 6.753 51.425 1.00 65.01 ? 56 SER L N 1 ATOM 7857 C CA . SER F 2 62 ? 210.956 5.769 51.466 1.00 62.87 ? 56 SER L CA 1 ATOM 7858 C C . SER F 2 62 ? 211.924 5.963 50.300 1.00 63.28 ? 56 SER L C 1 ATOM 7859 O O . SER F 2 62 ? 211.524 6.320 49.187 1.00 52.45 ? 56 SER L O 1 ATOM 7860 C CB . SER F 2 62 ? 210.379 4.356 51.443 1.00 71.85 ? 56 SER L CB 1 ATOM 7861 O OG . SER F 2 62 ? 209.548 4.128 52.570 1.00 80.92 ? 56 SER L OG 1 ATOM 7862 N N . GLY F 2 63 ? 213.210 5.727 50.563 1.00 61.59 ? 57 GLY L N 1 ATOM 7863 C CA . GLY F 2 63 ? 214.244 5.937 49.569 1.00 63.26 ? 57 GLY L CA 1 ATOM 7864 C C . GLY F 2 63 ? 214.680 7.376 49.374 1.00 67.48 ? 57 GLY L C 1 ATOM 7865 O O . GLY F 2 63 ? 215.632 7.620 48.622 1.00 76.41 ? 57 GLY L O 1 ATOM 7866 N N . VAL F 2 64 ? 214.030 8.331 50.033 1.00 59.55 ? 58 VAL L N 1 ATOM 7867 C CA . VAL F 2 64 ? 214.310 9.754 49.862 1.00 50.77 ? 58 VAL L CA 1 ATOM 7868 C C . VAL F 2 64 ? 215.432 10.178 50.804 1.00 46.39 ? 58 VAL L C 1 ATOM 7869 O O . VAL F 2 64 ? 215.296 10.026 52.027 1.00 47.76 ? 58 VAL L O 1 ATOM 7870 C CB . VAL F 2 64 ? 213.049 10.599 50.109 1.00 50.23 ? 58 VAL L CB 1 ATOM 7871 C CG1 . VAL F 2 64 ? 213.379 12.083 50.032 1.00 44.23 ? 58 VAL L CG1 1 ATOM 7872 C CG2 . VAL F 2 64 ? 211.960 10.241 49.113 1.00 48.32 ? 58 VAL L CG2 1 ATOM 7873 N N . PRO F 2 65 ? 216.526 10.744 50.286 1.00 45.60 ? 59 PRO L N 1 ATOM 7874 C CA . PRO F 2 65 ? 217.675 11.080 51.139 1.00 49.63 ? 59 PRO L CA 1 ATOM 7875 C C . PRO F 2 65 ? 217.301 11.957 52.326 1.00 50.63 ? 59 PRO L C 1 ATOM 7876 O O . PRO F 2 65 ? 216.372 12.766 52.268 1.00 52.36 ? 59 PRO L O 1 ATOM 7877 C CB . PRO F 2 65 ? 218.617 11.829 50.185 1.00 52.63 ? 59 PRO L CB 1 ATOM 7878 C CG . PRO F 2 65 ? 218.221 11.395 48.826 1.00 54.75 ? 59 PRO L CG 1 ATOM 7879 C CD . PRO F 2 65 ? 216.751 11.110 48.876 1.00 50.73 ? 59 PRO L CD 1 ATOM 7880 N N . ASP F 2 66 ? 218.074 11.800 53.406 1.00 47.58 ? 60 ASP L N 1 ATOM 7881 C CA . ASP F 2 66 ? 217.849 12.534 54.648 1.00 58.07 ? 60 ASP L CA 1 ATOM 7882 C C . ASP F 2 66 ? 217.998 14.041 54.494 1.00 51.00 ? 60 ASP L C 1 ATOM 7883 O O . ASP F 2 66 ? 217.519 14.784 55.357 1.00 51.22 ? 60 ASP L O 1 ATOM 7884 C CB . ASP F 2 66 ? 218.826 12.054 55.725 1.00 83.60 ? 60 ASP L CB 1 ATOM 7885 C CG . ASP F 2 66 ? 218.711 10.571 55.998 1.00 112.61 ? 60 ASP L CG 1 ATOM 7886 O OD1 . ASP F 2 66 ? 217.584 10.036 55.906 1.00 120.69 ? 60 ASP L OD1 1 ATOM 7887 O OD2 . ASP F 2 66 ? 219.749 9.941 56.304 1.00 123.36 -1 60 ASP L OD2 1 ATOM 7888 N N . ARG F 2 67 ? 218.671 14.514 53.440 1.00 38.44 ? 61 ARG L N 1 ATOM 7889 C CA . ARG F 2 67 ? 218.889 15.948 53.305 1.00 43.71 ? 61 ARG L CA 1 ATOM 7890 C C . ARG F 2 67 ? 217.624 16.708 52.917 1.00 52.00 ? 61 ARG L C 1 ATOM 7891 O O . ARG F 2 67 ? 217.630 17.944 52.962 1.00 50.30 ? 61 ARG L O 1 ATOM 7892 C CB . ARG F 2 67 ? 219.999 16.216 52.289 1.00 44.80 ? 61 ARG L CB 1 ATOM 7893 C CG . ARG F 2 67 ? 219.721 15.679 50.897 1.00 49.63 ? 61 ARG L CG 1 ATOM 7894 C CD . ARG F 2 67 ? 220.916 15.914 49.986 1.00 51.36 ? 61 ARG L CD 1 ATOM 7895 N NE . ARG F 2 67 ? 220.625 15.536 48.609 1.00 50.53 ? 61 ARG L NE 1 ATOM 7896 C CZ . ARG F 2 67 ? 220.804 14.315 48.117 1.00 57.98 ? 61 ARG L CZ 1 ATOM 7897 N NH1 . ARG F 2 67 ? 221.284 13.346 48.891 1.00 56.89 1 61 ARG L NH1 1 ATOM 7898 N NH2 . ARG F 2 67 ? 220.505 14.069 46.848 1.00 43.13 ? 61 ARG L NH2 1 ATOM 7899 N N . PHE F 2 68 ? 216.552 16.009 52.550 1.00 44.60 ? 62 PHE L N 1 ATOM 7900 C CA . PHE F 2 68 ? 215.256 16.629 52.304 1.00 42.77 ? 62 PHE L CA 1 ATOM 7901 C C . PHE F 2 68 ? 214.435 16.605 53.589 1.00 46.17 ? 62 PHE L C 1 ATOM 7902 O O . PHE F 2 68 ? 214.186 15.534 54.149 1.00 56.15 ? 62 PHE L O 1 ATOM 7903 C CB . PHE F 2 68 ? 214.499 15.899 51.194 1.00 35.74 ? 62 PHE L CB 1 ATOM 7904 C CG . PHE F 2 68 ? 215.133 16.018 49.838 1.00 37.80 ? 62 PHE L CG 1 ATOM 7905 C CD1 . PHE F 2 68 ? 215.986 15.030 49.366 1.00 39.59 ? 62 PHE L CD1 1 ATOM 7906 C CD2 . PHE F 2 68 ? 214.855 17.108 49.024 1.00 35.18 ? 62 PHE L CD2 1 ATOM 7907 C CE1 . PHE F 2 68 ? 216.568 15.138 48.119 1.00 40.06 ? 62 PHE L CE1 1 ATOM 7908 C CE2 . PHE F 2 68 ? 215.432 17.221 47.773 1.00 37.45 ? 62 PHE L CE2 1 ATOM 7909 C CZ . PHE F 2 68 ? 216.290 16.232 47.317 1.00 39.28 ? 62 PHE L CZ 1 ATOM 7910 N N . SER F 2 69 ? 214.012 17.778 54.049 1.00 40.77 ? 63 SER L N 1 ATOM 7911 C CA . SER F 2 69 ? 213.106 17.884 55.182 1.00 50.70 ? 63 SER L CA 1 ATOM 7912 C C . SER F 2 69 ? 212.034 18.923 54.886 1.00 52.04 ? 63 SER L C 1 ATOM 7913 O O . SER F 2 69 ? 212.262 19.892 54.153 1.00 50.81 ? 63 SER L O 1 ATOM 7914 C CB . SER F 2 69 ? 213.846 18.256 56.472 1.00 59.88 ? 63 SER L CB 1 ATOM 7915 O OG . SER F 2 69 ? 214.716 19.351 56.248 1.00 71.43 ? 63 SER L OG 1 ATOM 7916 N N . GLY F 2 70 ? 210.857 18.703 55.456 1.00 48.44 ? 64 GLY L N 1 ATOM 7917 C CA . GLY F 2 70 ? 209.801 19.691 55.417 1.00 38.70 ? 64 GLY L CA 1 ATOM 7918 C C . GLY F 2 70 ? 209.336 20.043 56.813 1.00 46.51 ? 64 GLY L C 1 ATOM 7919 O O . GLY F 2 70 ? 209.519 19.262 57.756 1.00 49.25 ? 64 GLY L O 1 ATOM 7920 N N . SER F 2 71 ? 208.727 21.216 56.956 1.00 47.74 ? 65 SER L N 1 ATOM 7921 C CA . SER F 2 71 ? 208.205 21.658 58.242 1.00 56.75 ? 65 SER L CA 1 ATOM 7922 C C . SER F 2 71 ? 207.149 22.728 58.006 1.00 61.99 ? 65 SER L C 1 ATOM 7923 O O . SER F 2 71 ? 206.944 23.193 56.882 1.00 55.33 ? 65 SER L O 1 ATOM 7924 C CB . SER F 2 71 ? 209.325 22.181 59.146 1.00 54.86 ? 65 SER L CB 1 ATOM 7925 O OG . SER F 2 71 ? 209.994 23.259 58.524 1.00 73.34 ? 65 SER L OG 1 ATOM 7926 N N . GLY F 2 72 ? 206.491 23.117 59.088 1.00 70.62 ? 66 GLY L N 1 ATOM 7927 C CA . GLY F 2 72 ? 205.432 24.104 59.055 1.00 68.71 ? 66 GLY L CA 1 ATOM 7928 C C . GLY F 2 72 ? 204.102 23.523 59.502 1.00 69.74 ? 66 GLY L C 1 ATOM 7929 O O . GLY F 2 72 ? 203.945 22.320 59.708 1.00 65.63 ? 66 GLY L O 1 ATOM 7930 N N . SER F 2 73 ? 203.136 24.427 59.652 0.91 72.02 ? 67 SER L N 1 ATOM 7931 C CA . SER F 2 73 ? 201.777 24.056 60.022 0.91 73.35 ? 67 SER L CA 1 ATOM 7932 C C . SER F 2 73 ? 200.837 25.174 59.595 0.91 76.71 ? 67 SER L C 1 ATOM 7933 O O . SER F 2 73 ? 201.268 26.289 59.286 0.91 70.32 ? 67 SER L O 1 ATOM 7934 C CB . SER F 2 73 ? 201.650 23.784 61.526 0.91 77.07 ? 67 SER L CB 1 ATOM 7935 O OG . SER F 2 73 ? 201.651 24.992 62.268 0.91 86.64 ? 67 SER L OG 1 ATOM 7936 N N . GLY F 2 74 ? 199.545 24.854 59.580 1.00 85.85 ? 68 GLY L N 1 ATOM 7937 C CA . GLY F 2 74 ? 198.529 25.819 59.210 1.00 88.66 ? 68 GLY L CA 1 ATOM 7938 C C . GLY F 2 74 ? 198.613 26.282 57.769 1.00 89.69 ? 68 GLY L C 1 ATOM 7939 O O . GLY F 2 74 ? 198.129 25.599 56.860 1.00 86.44 ? 68 GLY L O 1 ATOM 7940 N N . THR F 2 75 ? 199.231 27.444 57.549 1.00 88.15 ? 69 THR L N 1 ATOM 7941 C CA . THR F 2 75 ? 199.291 28.051 56.228 1.00 81.99 ? 69 THR L CA 1 ATOM 7942 C C . THR F 2 75 ? 200.707 28.314 55.731 1.00 76.24 ? 69 THR L C 1 ATOM 7943 O O . THR F 2 75 ? 200.867 28.745 54.584 1.00 70.81 ? 69 THR L O 1 ATOM 7944 C CB . THR F 2 75 ? 198.497 29.365 56.212 1.00 84.81 ? 69 THR L CB 1 ATOM 7945 O OG1 . THR F 2 75 ? 199.071 30.281 57.153 1.00 89.20 ? 69 THR L OG1 1 ATOM 7946 C CG2 . THR F 2 75 ? 197.035 29.113 56.576 1.00 84.67 ? 69 THR L CG2 1 ATOM 7947 N N . ASP F 2 76 ? 201.736 28.057 56.540 1.00 73.19 ? 70 ASP L N 1 ATOM 7948 C CA . ASP F 2 76 ? 203.125 28.275 56.147 1.00 67.59 ? 70 ASP L CA 1 ATOM 7949 C C . ASP F 2 76 ? 203.881 26.955 56.158 1.00 61.13 ? 70 ASP L C 1 ATOM 7950 O O . ASP F 2 76 ? 203.877 26.243 57.167 1.00 86.69 ? 70 ASP L O 1 ATOM 7951 C CB . ASP F 2 76 ? 203.809 29.274 57.078 1.00 84.33 ? 70 ASP L CB 1 ATOM 7952 C CG . ASP F 2 76 ? 204.197 30.546 56.368 1.00 98.03 ? 70 ASP L CG 1 ATOM 7953 O OD1 . ASP F 2 76 ? 204.662 30.453 55.210 1.00 103.69 ? 70 ASP L OD1 1 ATOM 7954 O OD2 . ASP F 2 76 ? 204.029 31.633 56.964 1.00 98.08 -1 70 ASP L OD2 1 ATOM 7955 N N . PHE F 2 77 ? 204.541 26.639 55.045 1.00 46.68 ? 71 PHE L N 1 ATOM 7956 C CA . PHE F 2 77 ? 205.231 25.366 54.879 1.00 43.43 ? 71 PHE L CA 1 ATOM 7957 C C . PHE F 2 77 ? 206.537 25.569 54.124 1.00 50.65 ? 71 PHE L C 1 ATOM 7958 O O . PHE F 2 77 ? 206.633 26.414 53.228 1.00 50.79 ? 71 PHE L O 1 ATOM 7959 C CB . PHE F 2 77 ? 204.365 24.353 54.127 1.00 40.73 ? 71 PHE L CB 1 ATOM 7960 C CG . PHE F 2 77 ? 203.101 24.003 54.835 1.00 46.15 ? 71 PHE L CG 1 ATOM 7961 C CD1 . PHE F 2 77 ? 201.927 24.682 54.557 1.00 53.00 ? 71 PHE L CD1 1 ATOM 7962 C CD2 . PHE F 2 77 ? 203.083 22.999 55.786 1.00 49.45 ? 71 PHE L CD2 1 ATOM 7963 C CE1 . PHE F 2 77 ? 200.751 24.361 55.218 1.00 64.39 ? 71 PHE L CE1 1 ATOM 7964 C CE2 . PHE F 2 77 ? 201.908 22.666 56.448 1.00 60.34 ? 71 PHE L CE2 1 ATOM 7965 C CZ . PHE F 2 77 ? 200.744 23.351 56.164 1.00 63.01 ? 71 PHE L CZ 1 ATOM 7966 N N . THR F 2 78 ? 207.535 24.759 54.477 1.00 47.23 ? 72 THR L N 1 ATOM 7967 C CA . THR F 2 78 ? 208.890 24.924 53.966 1.00 39.80 ? 72 THR L CA 1 ATOM 7968 C C . THR F 2 78 ? 209.474 23.573 53.578 1.00 40.58 ? 72 THR L C 1 ATOM 7969 O O . THR F 2 78 ? 209.329 22.593 54.315 1.00 45.99 ? 72 THR L O 1 ATOM 7970 C CB . THR F 2 78 ? 209.780 25.614 55.015 1.00 49.37 ? 72 THR L CB 1 ATOM 7971 O OG1 . THR F 2 78 ? 209.387 26.986 55.148 1.00 55.21 ? 72 THR L OG1 1 ATOM 7972 C CG2 . THR F 2 78 ? 211.249 25.554 54.624 1.00 56.27 ? 72 THR L CG2 1 ATOM 7973 N N . LEU F 2 79 ? 210.119 23.524 52.418 1.00 38.56 ? 73 LEU L N 1 ATOM 7974 C CA . LEU F 2 79 ? 210.930 22.388 52.004 1.00 38.12 ? 73 LEU L CA 1 ATOM 7975 C C . LEU F 2 79 ? 212.392 22.807 52.046 1.00 36.57 ? 73 LEU L C 1 ATOM 7976 O O . LEU F 2 79 ? 212.755 23.858 51.508 1.00 43.09 ? 73 LEU L O 1 ATOM 7977 C CB . LEU F 2 79 ? 210.551 21.918 50.597 1.00 33.10 ? 73 LEU L CB 1 ATOM 7978 C CG . LEU F 2 79 ? 211.416 20.765 50.076 1.00 46.17 ? 73 LEU L CG 1 ATOM 7979 C CD1 . LEU F 2 79 ? 211.077 19.476 50.787 1.00 41.86 ? 73 LEU L CD1 1 ATOM 7980 C CD2 . LEU F 2 79 ? 211.286 20.600 48.575 1.00 44.66 ? 73 LEU L CD2 1 ATOM 7981 N N . THR F 2 80 ? 213.227 22.003 52.696 1.00 45.06 ? 74 THR L N 1 ATOM 7982 C CA . THR F 2 80 ? 214.636 22.341 52.864 1.00 39.95 ? 74 THR L CA 1 ATOM 7983 C C . THR F 2 80 ? 215.505 21.211 52.339 1.00 42.14 ? 74 THR L C 1 ATOM 7984 O O . THR F 2 80 ? 215.295 20.049 52.695 1.00 48.04 ? 74 THR L O 1 ATOM 7985 C CB . THR F 2 80 ? 214.978 22.609 54.338 1.00 50.57 ? 74 THR L CB 1 ATOM 7986 O OG1 . THR F 2 80 ? 214.407 23.857 54.747 1.00 59.64 ? 74 THR L OG1 1 ATOM 7987 C CG2 . THR F 2 80 ? 216.486 22.665 54.538 1.00 57.73 ? 74 THR L CG2 1 ATOM 7988 N N . ILE F 2 81 ? 216.470 21.555 51.493 1.00 39.66 ? 75 ILE L N 1 ATOM 7989 C CA . ILE F 2 81 ? 217.555 20.656 51.118 1.00 42.28 ? 75 ILE L CA 1 ATOM 7990 C C . ILE F 2 81 ? 218.801 21.162 51.831 1.00 51.40 ? 75 ILE L C 1 ATOM 7991 O O . ILE F 2 81 ? 219.289 22.260 51.540 1.00 59.63 ? 75 ILE L O 1 ATOM 7992 C CB . ILE F 2 81 ? 217.763 20.608 49.599 1.00 43.16 ? 75 ILE L CB 1 ATOM 7993 C CG1 . ILE F 2 81 ? 216.426 20.534 48.871 1.00 49.03 ? 75 ILE L CG1 1 ATOM 7994 C CG2 . ILE F 2 81 ? 218.612 19.407 49.223 1.00 41.74 ? 75 ILE L CG2 1 ATOM 7995 C CD1 . ILE F 2 81 ? 216.568 20.534 47.363 1.00 54.24 ? 75 ILE L CD1 1 ATOM 7996 N N . SER F 2 82 ? 219.321 20.372 52.771 1.00 49.87 ? 76 SER L N 1 ATOM 7997 C CA . SER F 2 82 ? 220.379 20.875 53.642 1.00 49.61 ? 76 SER L CA 1 ATOM 7998 C C . SER F 2 82 ? 221.696 21.038 52.893 1.00 55.63 ? 76 SER L C 1 ATOM 7999 O O . SER F 2 82 ? 222.463 21.968 53.176 1.00 72.52 ? 76 SER L O 1 ATOM 8000 C CB . SER F 2 82 ? 220.558 19.951 54.841 1.00 51.52 ? 76 SER L CB 1 ATOM 8001 O OG . SER F 2 82 ? 220.936 18.654 54.423 1.00 64.15 ? 76 SER L OG 1 ATOM 8002 N N . SER F 2 83 ? 221.976 20.158 51.934 1.00 46.62 ? 77 SER L N 1 ATOM 8003 C CA . SER F 2 83 ? 223.235 20.193 51.191 1.00 49.49 ? 77 SER L CA 1 ATOM 8004 C C . SER F 2 83 ? 222.925 19.839 49.744 1.00 46.75 ? 77 SER L C 1 ATOM 8005 O O . SER F 2 83 ? 222.620 18.684 49.438 1.00 55.79 ? 77 SER L O 1 ATOM 8006 C CB . SER F 2 83 ? 224.260 19.232 51.801 1.00 52.86 ? 77 SER L CB 1 ATOM 8007 O OG . SER F 2 83 ? 225.478 19.245 51.088 1.00 62.55 ? 77 SER L OG 1 ATOM 8008 N N . LEU F 2 84 ? 222.989 20.832 48.858 1.00 43.75 ? 78 LEU L N 1 ATOM 8009 C CA . LEU F 2 84 ? 222.527 20.641 47.489 1.00 42.39 ? 78 LEU L CA 1 ATOM 8010 C C . LEU F 2 84 ? 223.514 19.802 46.687 1.00 41.86 ? 78 LEU L C 1 ATOM 8011 O O . LEU F 2 84 ? 224.702 20.128 46.595 1.00 35.42 ? 78 LEU L O 1 ATOM 8012 C CB . LEU F 2 84 ? 222.320 21.989 46.801 1.00 42.04 ? 78 LEU L CB 1 ATOM 8013 C CG . LEU F 2 84 ? 221.682 21.882 45.417 1.00 44.24 ? 78 LEU L CG 1 ATOM 8014 C CD1 . LEU F 2 84 ? 220.156 21.908 45.533 1.00 38.66 ? 78 LEU L CD1 1 ATOM 8015 C CD2 . LEU F 2 84 ? 222.171 22.976 44.506 1.00 53.28 ? 78 LEU L CD2 1 ATOM 8016 N N . GLN F 2 85 ? 223.020 18.729 46.089 1.00 39.17 ? 79 GLN L N 1 ATOM 8017 C CA . GLN F 2 85 ? 223.825 17.919 45.194 1.00 36.39 ? 79 GLN L CA 1 ATOM 8018 C C . GLN F 2 85 ? 223.381 18.155 43.759 1.00 39.05 ? 79 GLN L C 1 ATOM 8019 O O . GLN F 2 85 ? 222.259 18.605 43.504 1.00 43.07 ? 79 GLN L O 1 ATOM 8020 C CB . GLN F 2 85 ? 223.726 16.444 45.574 1.00 32.50 ? 79 GLN L CB 1 ATOM 8021 C CG . GLN F 2 85 ? 224.313 16.167 46.943 1.00 53.62 ? 79 GLN L CG 1 ATOM 8022 C CD . GLN F 2 85 ? 224.362 14.695 47.259 1.00 72.74 ? 79 GLN L CD 1 ATOM 8023 O OE1 . GLN F 2 85 ? 224.298 13.851 46.360 1.00 78.61 ? 79 GLN L OE1 1 ATOM 8024 N NE2 . GLN F 2 85 ? 224.466 14.372 48.542 1.00 82.80 ? 79 GLN L NE2 1 ATOM 8025 N N . ALA F 2 86 ? 224.289 17.882 42.816 1.00 38.63 ? 80 ALA L N 1 ATOM 8026 C CA . ALA F 2 86 ? 223.966 18.125 41.411 1.00 42.98 ? 80 ALA L CA 1 ATOM 8027 C C . ALA F 2 86 ? 222.666 17.428 41.007 1.00 48.51 ? 80 ALA L C 1 ATOM 8028 O O . ALA F 2 86 ? 221.874 17.976 40.232 1.00 54.69 ? 80 ALA L O 1 ATOM 8029 C CB . ALA F 2 86 ? 225.122 17.671 40.519 1.00 34.64 ? 80 ALA L CB 1 ATOM 8030 N N . GLU F 2 87 ? 222.413 16.238 41.562 1.00 45.89 ? 81 GLU L N 1 ATOM 8031 C CA A GLU F 2 87 ? 221.216 15.464 41.247 0.43 48.29 ? 81 GLU L CA 1 ATOM 8032 C CA B GLU F 2 87 ? 221.217 15.456 41.260 0.57 48.51 ? 81 GLU L CA 1 ATOM 8033 C C . GLU F 2 87 ? 219.941 16.055 41.841 1.00 50.96 ? 81 GLU L C 1 ATOM 8034 O O . GLU F 2 87 ? 218.857 15.529 41.565 1.00 37.77 ? 81 GLU L O 1 ATOM 8035 C CB A GLU F 2 87 ? 221.376 14.016 41.727 0.43 47.85 ? 81 GLU L CB 1 ATOM 8036 C CB B GLU F 2 87 ? 221.384 14.018 41.768 0.57 47.51 ? 81 GLU L CB 1 ATOM 8037 C CG A GLU F 2 87 ? 222.706 13.358 41.363 0.43 47.69 ? 81 GLU L CG 1 ATOM 8038 C CG B GLU F 2 87 ? 221.438 13.872 43.291 0.57 52.56 ? 81 GLU L CG 1 ATOM 8039 C CD A GLU F 2 87 ? 223.844 13.803 42.269 0.43 47.02 ? 81 GLU L CD 1 ATOM 8040 C CD B GLU F 2 87 ? 221.721 12.439 43.740 0.57 72.79 ? 81 GLU L CD 1 ATOM 8041 O OE1 A GLU F 2 87 ? 223.590 14.024 43.473 0.43 44.76 ? 81 GLU L OE1 1 ATOM 8042 O OE1 B GLU F 2 87 ? 222.103 11.608 42.886 0.57 83.30 ? 81 GLU L OE1 1 ATOM 8043 O OE2 A GLU F 2 87 ? 224.981 13.953 41.775 0.43 46.07 -1 81 GLU L OE2 1 ATOM 8044 O OE2 B GLU F 2 87 ? 221.560 12.142 44.946 0.57 72.02 -1 81 GLU L OE2 1 ATOM 8045 N N . ASP F 2 88 ? 220.025 17.118 42.642 1.00 28.74 ? 82 ASP L N 1 ATOM 8046 C CA . ASP F 2 88 ? 218.833 17.735 43.215 1.00 35.69 ? 82 ASP L CA 1 ATOM 8047 C C . ASP F 2 88 ? 218.286 18.863 42.351 1.00 36.87 ? 82 ASP L C 1 ATOM 8048 O O . ASP F 2 88 ? 217.293 19.491 42.727 1.00 40.78 ? 82 ASP L O 1 ATOM 8049 C CB . ASP F 2 88 ? 219.118 18.282 44.618 1.00 33.86 ? 82 ASP L CB 1 ATOM 8050 C CG . ASP F 2 88 ? 219.601 17.222 45.581 1.00 51.96 ? 82 ASP L CG 1 ATOM 8051 O OD1 . ASP F 2 88 ? 219.128 16.065 45.501 1.00 60.17 ? 82 ASP L OD1 1 ATOM 8052 O OD2 . ASP F 2 88 ? 220.451 17.561 46.436 1.00 64.96 -1 82 ASP L OD2 1 ATOM 8053 N N . VAL F 2 89 ? 218.924 19.145 41.220 1.00 31.77 ? 83 VAL L N 1 ATOM 8054 C CA . VAL F 2 89 ? 218.445 20.149 40.277 1.00 33.87 ? 83 VAL L CA 1 ATOM 8055 C C . VAL F 2 89 ? 217.158 19.632 39.631 1.00 38.88 ? 83 VAL L C 1 ATOM 8056 O O . VAL F 2 89 ? 217.176 18.654 38.877 1.00 36.75 ? 83 VAL L O 1 ATOM 8057 C CB . VAL F 2 89 ? 219.519 20.476 39.232 1.00 29.84 ? 83 VAL L CB 1 ATOM 8058 C CG1 . VAL F 2 89 ? 218.941 21.308 38.093 1.00 41.89 ? 83 VAL L CG1 1 ATOM 8059 C CG2 . VAL F 2 89 ? 220.658 21.235 39.903 1.00 40.90 ? 83 VAL L CG2 1 ATOM 8060 N N . ALA F 2 90 ? 216.037 20.282 39.930 1.00 27.86 ? 84 ALA L N 1 ATOM 8061 C CA . ALA F 2 90 ? 214.733 19.861 39.422 1.00 26.60 ? 84 ALA L CA 1 ATOM 8062 C C . ALA F 2 90 ? 213.742 20.981 39.696 1.00 36.61 ? 84 ALA L C 1 ATOM 8063 O O . ALA F 2 90 ? 214.110 22.060 40.170 1.00 38.43 ? 84 ALA L O 1 ATOM 8064 C CB . ALA F 2 90 ? 214.264 18.559 40.063 1.00 28.18 ? 84 ALA L CB 1 ATOM 8065 N N . VAL F 2 91 ? 212.480 20.724 39.370 1.00 30.31 ? 85 VAL L N 1 ATOM 8066 C CA . VAL F 2 91 ? 211.374 21.584 39.768 1.00 25.49 ? 85 VAL L CA 1 ATOM 8067 C C . VAL F 2 91 ? 210.663 20.916 40.939 1.00 32.53 ? 85 VAL L C 1 ATOM 8068 O O . VAL F 2 91 ? 210.462 19.696 40.936 1.00 34.48 ? 85 VAL L O 1 ATOM 8069 C CB . VAL F 2 91 ? 210.417 21.851 38.595 1.00 37.25 ? 85 VAL L CB 1 ATOM 8070 C CG1 . VAL F 2 91 ? 209.301 22.811 39.021 1.00 25.79 ? 85 VAL L CG1 1 ATOM 8071 C CG2 . VAL F 2 91 ? 211.198 22.430 37.421 1.00 29.48 ? 85 VAL L CG2 1 ATOM 8072 N N . TYR F 2 92 ? 210.328 21.704 41.958 1.00 38.73 ? 86 TYR L N 1 ATOM 8073 C CA . TYR F 2 92 ? 209.685 21.220 43.173 1.00 32.11 ? 86 TYR L CA 1 ATOM 8074 C C . TYR F 2 92 ? 208.305 21.847 43.307 1.00 40.50 ? 86 TYR L C 1 ATOM 8075 O O . TYR F 2 92 ? 208.150 23.065 43.165 1.00 35.09 ? 86 TYR L O 1 ATOM 8076 C CB . TYR F 2 92 ? 210.532 21.535 44.406 1.00 28.54 ? 86 TYR L CB 1 ATOM 8077 C CG . TYR F 2 92 ? 211.849 20.793 44.416 1.00 36.63 ? 86 TYR L CG 1 ATOM 8078 C CD1 . TYR F 2 92 ? 212.930 21.251 43.686 1.00 35.12 ? 86 TYR L CD1 1 ATOM 8079 C CD2 . TYR F 2 92 ? 212.004 19.629 45.148 1.00 33.80 ? 86 TYR L CD2 1 ATOM 8080 C CE1 . TYR F 2 92 ? 214.135 20.568 43.683 1.00 35.87 ? 86 TYR L CE1 1 ATOM 8081 C CE2 . TYR F 2 92 ? 213.204 18.951 45.167 1.00 32.10 ? 86 TYR L CE2 1 ATOM 8082 C CZ . TYR F 2 92 ? 214.271 19.424 44.432 1.00 33.22 ? 86 TYR L CZ 1 ATOM 8083 O OH . TYR F 2 92 ? 215.468 18.736 44.431 1.00 42.69 ? 86 TYR L OH 1 ATOM 8084 N N . TYR F 2 93 ? 207.310 21.011 43.565 1.00 33.60 ? 87 TYR L N 1 ATOM 8085 C CA . TYR F 2 93 ? 205.935 21.440 43.751 1.00 39.13 ? 87 TYR L CA 1 ATOM 8086 C C . TYR F 2 93 ? 205.470 21.081 45.153 1.00 36.40 ? 87 TYR L C 1 ATOM 8087 O O . TYR F 2 93 ? 205.818 20.023 45.680 1.00 43.73 ? 87 TYR L O 1 ATOM 8088 C CB . TYR F 2 93 ? 205.009 20.777 42.729 1.00 29.78 ? 87 TYR L CB 1 ATOM 8089 C CG . TYR F 2 93 ? 205.304 21.145 41.292 1.00 31.84 ? 87 TYR L CG 1 ATOM 8090 C CD1 . TYR F 2 93 ? 204.715 22.254 40.710 1.00 29.06 ? 87 TYR L CD1 1 ATOM 8091 C CD2 . TYR F 2 93 ? 206.155 20.373 40.515 1.00 36.30 ? 87 TYR L CD2 1 ATOM 8092 C CE1 . TYR F 2 93 ? 204.967 22.592 39.392 1.00 32.64 ? 87 TYR L CE1 1 ATOM 8093 C CE2 . TYR F 2 93 ? 206.417 20.701 39.192 1.00 28.07 ? 87 TYR L CE2 1 ATOM 8094 C CZ . TYR F 2 93 ? 205.820 21.816 38.638 1.00 38.40 ? 87 TYR L CZ 1 ATOM 8095 O OH . TYR F 2 93 ? 206.068 22.154 37.325 1.00 41.50 ? 87 TYR L OH 1 ATOM 8096 N N . CYS F 2 94 ? 204.693 21.966 45.759 1.00 38.14 ? 88 CYS L N 1 ATOM 8097 C CA . CYS F 2 94 ? 203.907 21.606 46.927 1.00 36.82 ? 88 CYS L CA 1 ATOM 8098 C C . CYS F 2 94 ? 202.482 21.296 46.486 1.00 36.73 ? 88 CYS L C 1 ATOM 8099 O O . CYS F 2 94 ? 202.030 21.738 45.427 1.00 39.73 ? 88 CYS L O 1 ATOM 8100 C CB . CYS F 2 94 ? 203.912 22.718 47.989 1.00 40.29 ? 88 CYS L CB 1 ATOM 8101 S SG . CYS F 2 94 ? 203.228 24.313 47.462 1.00 55.16 ? 88 CYS L SG 1 ATOM 8102 N N . GLN F 2 95 ? 201.780 20.525 47.303 1.00 36.50 ? 89 GLN L N 1 ATOM 8103 C CA . GLN F 2 95 ? 200.401 20.169 47.020 1.00 36.36 ? 89 GLN L CA 1 ATOM 8104 C C . GLN F 2 95 ? 199.631 20.071 48.324 1.00 41.39 ? 89 GLN L C 1 ATOM 8105 O O . GLN F 2 95 ? 200.127 19.510 49.303 1.00 45.91 ? 89 GLN L O 1 ATOM 8106 C CB . GLN F 2 95 ? 200.322 18.848 46.240 1.00 39.75 ? 89 GLN L CB 1 ATOM 8107 C CG . GLN F 2 95 ? 198.925 18.279 46.100 1.00 49.04 ? 89 GLN L CG 1 ATOM 8108 C CD . GLN F 2 95 ? 198.792 16.935 46.784 1.00 56.92 ? 89 GLN L CD 1 ATOM 8109 O OE1 . GLN F 2 95 ? 199.651 16.064 46.636 1.00 57.01 ? 89 GLN L OE1 1 ATOM 8110 N NE2 . GLN F 2 95 ? 197.723 16.765 47.556 1.00 57.95 ? 89 GLN L NE2 1 ATOM 8111 N N . GLN F 2 96 ? 198.437 20.657 48.338 1.00 41.09 ? 90 GLN L N 1 ATOM 8112 C CA . GLN F 2 96 ? 197.512 20.535 49.456 1.00 43.46 ? 90 GLN L CA 1 ATOM 8113 C C . GLN F 2 96 ? 196.123 20.301 48.885 1.00 46.66 ? 90 GLN L C 1 ATOM 8114 O O . GLN F 2 96 ? 195.632 21.109 48.088 1.00 42.68 ? 90 GLN L O 1 ATOM 8115 C CB . GLN F 2 96 ? 197.531 21.776 50.350 1.00 47.59 ? 90 GLN L CB 1 ATOM 8116 C CG . GLN F 2 96 ? 196.639 21.639 51.566 1.00 53.03 ? 90 GLN L CG 1 ATOM 8117 C CD . GLN F 2 96 ? 196.634 22.875 52.436 1.00 63.30 ? 90 GLN L CD 1 ATOM 8118 O OE1 . GLN F 2 96 ? 196.690 24.000 51.938 1.00 68.96 ? 90 GLN L OE1 1 ATOM 8119 N NE2 . GLN F 2 96 ? 196.565 22.671 53.750 1.00 64.42 ? 90 GLN L NE2 1 ATOM 8120 N N . TYR F 2 97 ? 195.497 19.200 49.288 1.00 47.14 ? 91 TYR L N 1 ATOM 8121 C CA . TYR F 2 97 ? 194.259 18.708 48.667 1.00 51.64 ? 91 TYR L CA 1 ATOM 8122 C C . TYR F 2 97 ? 194.562 18.573 47.178 1.00 46.94 ? 91 TYR L C 1 ATOM 8123 O O . TYR F 2 97 ? 195.537 17.895 46.821 1.00 44.13 ? 91 TYR L O 1 ATOM 8124 C CB . TYR F 2 97 ? 193.091 19.604 49.034 1.00 44.92 ? 91 TYR L CB 1 ATOM 8125 C CG . TYR F 2 97 ? 192.785 19.552 50.504 1.00 46.15 ? 91 TYR L CG 1 ATOM 8126 C CD1 . TYR F 2 97 ? 192.271 18.402 51.080 1.00 50.93 ? 91 TYR L CD1 1 ATOM 8127 C CD2 . TYR F 2 97 ? 193.023 20.643 51.320 1.00 65.17 ? 91 TYR L CD2 1 ATOM 8128 C CE1 . TYR F 2 97 ? 192.002 18.336 52.426 1.00 57.04 ? 91 TYR L CE1 1 ATOM 8129 C CE2 . TYR F 2 97 ? 192.756 20.592 52.670 1.00 65.52 ? 91 TYR L CE2 1 ATOM 8130 C CZ . TYR F 2 97 ? 192.242 19.434 53.222 1.00 62.26 ? 91 TYR L CZ 1 ATOM 8131 O OH . TYR F 2 97 ? 191.968 19.375 54.576 1.00 61.73 ? 91 TYR L OH 1 ATOM 8132 N N . TYR F 2 98 ? 193.790 19.181 46.281 1.00 52.00 ? 96 TYR L N 1 ATOM 8133 C CA . TYR F 2 98 ? 194.027 19.012 44.851 1.00 53.19 ? 96 TYR L CA 1 ATOM 8134 C C . TYR F 2 98 ? 194.410 20.331 44.192 1.00 51.55 ? 96 TYR L C 1 ATOM 8135 O O . TYR F 2 98 ? 194.068 20.585 43.037 1.00 54.27 ? 96 TYR L O 1 ATOM 8136 C CB . TYR F 2 98 ? 192.808 18.363 44.197 1.00 52.33 ? 96 TYR L CB 1 ATOM 8137 C CG . TYR F 2 98 ? 192.290 17.256 45.079 1.00 48.30 ? 96 TYR L CG 1 ATOM 8138 C CD1 . TYR F 2 98 ? 193.125 16.202 45.453 1.00 44.77 ? 96 TYR L CD1 1 ATOM 8139 C CD2 . TYR F 2 98 ? 191.000 17.283 45.583 1.00 47.26 ? 96 TYR L CD2 1 ATOM 8140 C CE1 . TYR F 2 98 ? 192.689 15.200 46.289 1.00 45.92 ? 96 TYR L CE1 1 ATOM 8141 C CE2 . TYR F 2 98 ? 190.553 16.282 46.418 1.00 48.57 ? 96 TYR L CE2 1 ATOM 8142 C CZ . TYR F 2 98 ? 191.401 15.242 46.769 1.00 47.88 ? 96 TYR L CZ 1 ATOM 8143 O OH . TYR F 2 98 ? 190.953 14.246 47.607 1.00 49.34 ? 96 TYR L OH 1 ATOM 8144 N N . SER F 2 99 ? 195.122 21.174 44.935 1.00 44.34 ? 97 SER L N 1 ATOM 8145 C CA . SER F 2 99 ? 195.718 22.396 44.420 1.00 39.13 ? 97 SER L CA 1 ATOM 8146 C C . SER F 2 99 ? 197.230 22.241 44.449 1.00 50.43 ? 97 SER L C 1 ATOM 8147 O O . SER F 2 99 ? 197.794 21.809 45.459 1.00 49.66 ? 97 SER L O 1 ATOM 8148 C CB . SER F 2 99 ? 195.293 23.610 45.245 1.00 46.00 ? 97 SER L CB 1 ATOM 8149 O OG . SER F 2 99 ? 193.932 23.913 45.039 1.00 72.05 ? 97 SER L OG 1 ATOM 8150 N N . PHE F 2 100 ? 197.879 22.588 43.348 1.00 47.60 ? 98 PHE L N 1 ATOM 8151 C CA . PHE F 2 100 ? 199.323 22.500 43.237 1.00 34.54 ? 98 PHE L CA 1 ATOM 8152 C C . PHE F 2 100 ? 199.942 23.889 43.264 1.00 43.69 ? 98 PHE L C 1 ATOM 8153 O O . PHE F 2 100 ? 199.350 24.860 42.787 1.00 51.41 ? 98 PHE L O 1 ATOM 8154 C CB . PHE F 2 100 ? 199.731 21.784 41.952 1.00 36.93 ? 98 PHE L CB 1 ATOM 8155 C CG . PHE F 2 100 ? 199.630 20.291 42.027 1.00 38.95 ? 98 PHE L CG 1 ATOM 8156 C CD1 . PHE F 2 100 ? 198.507 19.634 41.550 1.00 49.95 ? 98 PHE L CD1 1 ATOM 8157 C CD2 . PHE F 2 100 ? 200.671 19.541 42.557 1.00 44.79 ? 98 PHE L CD2 1 ATOM 8158 C CE1 . PHE F 2 100 ? 198.414 18.254 41.614 1.00 52.70 ? 98 PHE L CE1 1 ATOM 8159 C CE2 . PHE F 2 100 ? 200.591 18.162 42.619 1.00 45.63 ? 98 PHE L CE2 1 ATOM 8160 C CZ . PHE F 2 100 ? 199.458 17.517 42.148 1.00 51.58 ? 98 PHE L CZ 1 ATOM 8161 N N . GLY F 2 101 ? 201.140 23.976 43.831 1.00 32.76 ? 99 GLY L N 1 ATOM 8162 C CA . GLY F 2 101 ? 201.909 25.195 43.715 1.00 32.81 ? 99 GLY L CA 1 ATOM 8163 C C . GLY F 2 101 ? 202.378 25.414 42.293 1.00 34.09 ? 99 GLY L C 1 ATOM 8164 O O . GLY F 2 101 ? 202.351 24.520 41.441 1.00 41.02 ? 99 GLY L O 1 ATOM 8165 N N . GLY F 2 102 ? 202.810 26.645 42.024 1.00 32.50 ? 100 GLY L N 1 ATOM 8166 C CA . GLY F 2 102 ? 203.280 26.974 40.688 1.00 29.91 ? 100 GLY L CA 1 ATOM 8167 C C . GLY F 2 102 ? 204.608 26.340 40.318 1.00 42.36 ? 100 GLY L C 1 ATOM 8168 O O . GLY F 2 102 ? 204.932 26.262 39.129 1.00 47.02 ? 100 GLY L O 1 ATOM 8169 N N . GLY F 2 103 ? 205.374 25.884 41.303 1.00 34.40 ? 101 GLY L N 1 ATOM 8170 C CA . GLY F 2 103 ? 206.656 25.245 41.078 1.00 35.82 ? 101 GLY L CA 1 ATOM 8171 C C . GLY F 2 103 ? 207.824 26.170 41.375 1.00 43.16 ? 101 GLY L C 1 ATOM 8172 O O . GLY F 2 103 ? 207.727 27.398 41.272 1.00 50.93 ? 101 GLY L O 1 ATOM 8173 N N . THR F 2 104 ? 208.954 25.568 41.752 1.00 40.26 ? 102 THR L N 1 ATOM 8174 C CA . THR F 2 104 ? 210.198 26.284 42.031 1.00 37.48 ? 102 THR L CA 1 ATOM 8175 C C . THR F 2 104 ? 211.321 25.559 41.305 1.00 38.62 ? 102 THR L C 1 ATOM 8176 O O . THR F 2 104 ? 211.645 24.417 41.645 1.00 36.55 ? 102 THR L O 1 ATOM 8177 C CB . THR F 2 104 ? 210.479 26.347 43.535 1.00 35.72 ? 102 THR L CB 1 ATOM 8178 O OG1 . THR F 2 104 ? 209.424 27.062 44.186 1.00 51.79 ? 102 THR L OG1 1 ATOM 8179 C CG2 . THR F 2 104 ? 211.814 27.037 43.820 1.00 40.24 ? 102 THR L CG2 1 ATOM 8180 N N . LYS F 2 105 ? 211.902 26.198 40.296 1.00 31.17 ? 103 LYS L N 1 ATOM 8181 C CA . LYS F 2 105 ? 213.018 25.591 39.585 1.00 33.98 ? 103 LYS L CA 1 ATOM 8182 C C . LYS F 2 105 ? 214.292 25.820 40.390 1.00 43.92 ? 103 LYS L C 1 ATOM 8183 O O . LYS F 2 105 ? 214.641 26.966 40.695 1.00 45.42 ? 103 LYS L O 1 ATOM 8184 C CB . LYS F 2 105 ? 213.144 26.168 38.180 1.00 36.98 ? 103 LYS L CB 1 ATOM 8185 C CG . LYS F 2 105 ? 213.864 25.245 37.209 1.00 53.86 ? 103 LYS L CG 1 ATOM 8186 C CD . LYS F 2 105 ? 213.904 25.834 35.813 1.00 65.05 ? 103 LYS L CD 1 ATOM 8187 C CE . LYS F 2 105 ? 214.447 24.834 34.810 1.00 79.46 ? 103 LYS L CE 1 ATOM 8188 N NZ . LYS F 2 105 ? 214.369 25.352 33.411 1.00 91.31 1 103 LYS L NZ 1 ATOM 8189 N N . VAL F 2 106 ? 214.965 24.733 40.765 1.00 28.31 ? 104 VAL L N 1 ATOM 8190 C CA . VAL F 2 106 ? 216.208 24.797 41.521 1.00 27.32 ? 104 VAL L CA 1 ATOM 8191 C C . VAL F 2 106 ? 217.361 24.566 40.557 1.00 32.30 ? 104 VAL L C 1 ATOM 8192 O O . VAL F 2 106 ? 217.354 23.592 39.795 1.00 32.88 ? 104 VAL L O 1 ATOM 8193 C CB . VAL F 2 106 ? 216.221 23.773 42.666 1.00 39.08 ? 104 VAL L CB 1 ATOM 8194 C CG1 . VAL F 2 106 ? 217.615 23.677 43.255 1.00 29.31 ? 104 VAL L CG1 1 ATOM 8195 C CG2 . VAL F 2 106 ? 215.206 24.171 43.745 1.00 34.26 ? 104 VAL L CG2 1 ATOM 8196 N N . GLU F 2 107 ? 218.335 25.479 40.559 1.00 40.86 ? 105 GLU L N 1 ATOM 8197 C CA . GLU F 2 107 ? 219.469 25.441 39.641 1.00 38.85 ? 105 GLU L CA 1 ATOM 8198 C C . GLU F 2 107 ? 220.772 25.565 40.426 1.00 38.45 ? 105 GLU L C 1 ATOM 8199 O O . GLU F 2 107 ? 220.777 25.910 41.610 1.00 32.39 ? 105 GLU L O 1 ATOM 8200 C CB . GLU F 2 107 ? 219.379 26.564 38.597 1.00 39.26 ? 105 GLU L CB 1 ATOM 8201 C CG . GLU F 2 107 ? 218.004 26.739 37.946 1.00 51.69 ? 105 GLU L CG 1 ATOM 8202 N N . ILE F 2 108 ? 221.888 25.283 39.756 1.00 38.35 ? 106 ILE L N 1 ATOM 8203 C CA . ILE F 2 108 ? 223.208 25.453 40.359 1.00 35.27 ? 106 ILE L CA 1 ATOM 8204 C C . ILE F 2 108 ? 223.635 26.903 40.199 1.00 31.45 ? 106 ILE L C 1 ATOM 8205 O O . ILE F 2 108 ? 223.681 27.428 39.081 1.00 30.61 ? 106 ILE L O 1 ATOM 8206 C CB . ILE F 2 108 ? 224.248 24.520 39.710 1.00 42.34 ? 106 ILE L CB 1 ATOM 8207 C CG1 . ILE F 2 108 ? 223.932 23.033 39.938 1.00 31.09 ? 106 ILE L CG1 1 ATOM 8208 C CG2 . ILE F 2 108 ? 225.648 24.889 40.190 1.00 26.41 ? 106 ILE L CG2 1 ATOM 8209 C CD1 . ILE F 2 108 ? 223.737 22.660 41.367 1.00 50.52 ? 106 ILE L CD1 1 ATOM 8210 N N . LYS F 2 109 ? 223.953 27.556 41.311 1.00 25.64 ? 107 LYS L N 1 ATOM 8211 C CA . LYS F 2 109 ? 224.586 28.866 41.251 1.00 35.94 ? 107 LYS L CA 1 ATOM 8212 C C . LYS F 2 109 ? 226.088 28.705 41.014 1.00 33.26 ? 107 LYS L C 1 ATOM 8213 O O . LYS F 2 109 ? 226.745 27.886 41.661 1.00 31.18 ? 107 LYS L O 1 ATOM 8214 C CB . LYS F 2 109 ? 224.317 29.645 42.541 1.00 39.79 ? 107 LYS L CB 1 ATOM 8215 C CG . LYS F 2 109 ? 225.054 30.970 42.670 1.00 43.00 ? 107 LYS L CG 1 ATOM 8216 C CD . LYS F 2 109 ? 224.950 31.517 44.091 1.00 62.47 ? 107 LYS L CD 1 ATOM 8217 C CE . LYS F 2 109 ? 223.830 32.532 44.230 1.00 69.08 ? 107 LYS L CE 1 ATOM 8218 N NZ . LYS F 2 109 ? 224.125 33.756 43.442 1.00 66.79 1 107 LYS L NZ 1 ATOM 8219 N N . ARG F 2 110 ? 226.619 29.469 40.063 1.00 40.97 ? 108 ARG L N 1 ATOM 8220 C CA . ARG F 2 110 ? 228.047 29.542 39.778 1.00 27.25 ? 108 ARG L CA 1 ATOM 8221 C C . ARG F 2 110 ? 228.402 31.004 39.534 1.00 30.30 ? 108 ARG L C 1 ATOM 8222 O O . ARG F 2 110 ? 227.523 31.865 39.439 1.00 44.95 ? 108 ARG L O 1 ATOM 8223 C CB . ARG F 2 110 ? 228.428 28.697 38.552 1.00 26.79 ? 108 ARG L CB 1 ATOM 8224 C CG . ARG F 2 110 ? 227.599 29.030 37.310 1.00 44.17 ? 108 ARG L CG 1 ATOM 8225 C CD . ARG F 2 110 ? 228.397 28.830 36.039 1.00 32.73 ? 108 ARG L CD 1 ATOM 8226 N NE . ARG F 2 110 ? 229.580 29.681 36.017 1.00 31.63 ? 108 ARG L NE 1 ATOM 8227 C CZ . ARG F 2 110 ? 230.676 29.426 35.307 1.00 34.72 ? 108 ARG L CZ 1 ATOM 8228 N NH1 . ARG F 2 110 ? 231.702 30.259 35.353 1.00 39.97 1 108 ARG L NH1 1 ATOM 8229 N NH2 . ARG F 2 110 ? 230.761 28.324 34.576 1.00 28.30 ? 108 ARG L NH2 1 ATOM 8230 N N . THR F 2 111 ? 229.699 31.282 39.408 1.00 30.53 ? 109 THR L N 1 ATOM 8231 C CA . THR F 2 111 ? 230.141 32.645 39.121 1.00 37.85 ? 109 THR L CA 1 ATOM 8232 C C . THR F 2 111 ? 229.602 33.131 37.780 1.00 30.25 ? 109 THR L C 1 ATOM 8233 O O . THR F 2 111 ? 229.171 32.353 36.926 1.00 36.51 ? 109 THR L O 1 ATOM 8234 C CB . THR F 2 111 ? 231.666 32.745 39.081 1.00 31.86 ? 109 THR L CB 1 ATOM 8235 O OG1 . THR F 2 111 ? 232.166 31.847 38.084 1.00 39.61 ? 109 THR L OG1 1 ATOM 8236 C CG2 . THR F 2 111 ? 232.265 32.408 40.426 1.00 31.04 ? 109 THR L CG2 1 ATOM 8237 N N . VAL F 2 112 ? 229.663 34.449 37.604 1.00 37.78 ? 110 VAL L N 1 ATOM 8238 C CA . VAL F 2 112 ? 229.211 35.099 36.379 1.00 34.33 ? 110 VAL L CA 1 ATOM 8239 C C . VAL F 2 112 ? 230.147 34.749 35.229 1.00 44.71 ? 110 VAL L C 1 ATOM 8240 O O . VAL F 2 112 ? 231.376 34.817 35.363 1.00 48.77 ? 110 VAL L O 1 ATOM 8241 C CB . VAL F 2 112 ? 229.140 36.620 36.590 1.00 28.46 ? 110 VAL L CB 1 ATOM 8242 C CG1 . VAL F 2 112 ? 228.729 37.320 35.311 1.00 37.31 ? 110 VAL L CG1 1 ATOM 8243 C CG2 . VAL F 2 112 ? 228.164 36.941 37.701 1.00 34.62 ? 110 VAL L CG2 1 ATOM 8244 N N . ALA F 2 113 ? 229.566 34.372 34.090 1.00 46.57 ? 111 ALA L N 1 ATOM 8245 C CA . ALA F 2 113 ? 230.303 34.155 32.852 1.00 30.47 ? 111 ALA L CA 1 ATOM 8246 C C . ALA F 2 113 ? 229.611 34.928 31.742 1.00 36.13 ? 111 ALA L C 1 ATOM 8247 O O . ALA F 2 113 ? 228.404 34.772 31.535 1.00 34.83 ? 111 ALA L O 1 ATOM 8248 C CB . ALA F 2 113 ? 230.380 32.669 32.494 1.00 28.34 ? 111 ALA L CB 1 ATOM 8249 N N . ALA F 2 114 ? 230.369 35.770 31.046 1.00 40.33 ? 112 ALA L N 1 ATOM 8250 C CA . ALA F 2 114 ? 229.809 36.562 29.967 1.00 35.22 ? 112 ALA L CA 1 ATOM 8251 C C . ALA F 2 114 ? 229.609 35.711 28.714 1.00 33.80 ? 112 ALA L C 1 ATOM 8252 O O . ALA F 2 114 ? 230.385 34.789 28.443 1.00 38.36 ? 112 ALA L O 1 ATOM 8253 C CB . ALA F 2 114 ? 230.715 37.745 29.644 1.00 27.68 ? 112 ALA L CB 1 ATOM 8254 N N . PRO F 2 115 ? 228.569 35.995 27.942 1.00 36.85 ? 113 PRO L N 1 ATOM 8255 C CA . PRO F 2 115 ? 228.358 35.244 26.703 1.00 39.65 ? 113 PRO L CA 1 ATOM 8256 C C . PRO F 2 115 ? 229.412 35.585 25.667 1.00 40.35 ? 113 PRO L C 1 ATOM 8257 O O . PRO F 2 115 ? 229.897 36.716 25.589 1.00 44.24 ? 113 PRO L O 1 ATOM 8258 C CB . PRO F 2 115 ? 226.968 35.701 26.241 1.00 32.90 ? 113 PRO L CB 1 ATOM 8259 C CG . PRO F 2 115 ? 226.792 37.069 26.849 1.00 30.44 ? 113 PRO L CG 1 ATOM 8260 C CD . PRO F 2 115 ? 227.536 37.025 28.166 1.00 35.38 ? 113 PRO L CD 1 ATOM 8261 N N . SER F 2 116 ? 229.773 34.586 24.873 1.00 43.71 ? 114 SER L N 1 ATOM 8262 C CA . SER F 2 116 ? 230.403 34.825 23.582 1.00 46.58 ? 114 SER L CA 1 ATOM 8263 C C . SER F 2 116 ? 229.290 34.977 22.549 1.00 43.08 ? 114 SER L C 1 ATOM 8264 O O . SER F 2 116 ? 228.340 34.189 22.533 1.00 52.81 ? 114 SER L O 1 ATOM 8265 C CB . SER F 2 116 ? 231.343 33.681 23.205 1.00 38.67 ? 114 SER L CB 1 ATOM 8266 O OG . SER F 2 116 ? 231.998 33.174 24.349 1.00 57.65 ? 114 SER L OG 1 ATOM 8267 N N . VAL F 2 117 ? 229.398 35.996 21.701 1.00 40.81 ? 115 VAL L N 1 ATOM 8268 C CA . VAL F 2 117 ? 228.321 36.393 20.800 1.00 37.67 ? 115 VAL L CA 1 ATOM 8269 C C . VAL F 2 117 ? 228.766 36.156 19.367 1.00 38.46 ? 115 VAL L C 1 ATOM 8270 O O . VAL F 2 117 ? 229.803 36.676 18.936 1.00 38.73 ? 115 VAL L O 1 ATOM 8271 C CB . VAL F 2 117 ? 227.920 37.860 21.013 1.00 33.34 ? 115 VAL L CB 1 ATOM 8272 C CG1 . VAL F 2 117 ? 226.687 38.198 20.171 1.00 28.07 ? 115 VAL L CG1 1 ATOM 8273 C CG2 . VAL F 2 117 ? 227.675 38.126 22.488 1.00 38.40 ? 115 VAL L CG2 1 ATOM 8274 N N . PHE F 2 118 ? 227.969 35.386 18.628 1.00 38.61 ? 116 PHE L N 1 ATOM 8275 C CA . PHE F 2 118 ? 228.195 35.112 17.218 1.00 29.43 ? 116 PHE L CA 1 ATOM 8276 C C . PHE F 2 118 ? 226.922 35.419 16.437 1.00 41.43 ? 116 PHE L C 1 ATOM 8277 O O . PHE F 2 118 ? 225.816 35.128 16.896 1.00 37.72 ? 116 PHE L O 1 ATOM 8278 C CB . PHE F 2 118 ? 228.580 33.656 16.976 1.00 31.22 ? 116 PHE L CB 1 ATOM 8279 C CG . PHE F 2 118 ? 229.703 33.152 17.840 1.00 30.90 ? 116 PHE L CG 1 ATOM 8280 C CD1 . PHE F 2 118 ? 231.011 33.181 17.383 1.00 34.82 ? 116 PHE L CD1 1 ATOM 8281 C CD2 . PHE F 2 118 ? 229.444 32.594 19.085 1.00 28.62 ? 116 PHE L CD2 1 ATOM 8282 C CE1 . PHE F 2 118 ? 232.045 32.688 18.165 1.00 41.21 ? 116 PHE L CE1 1 ATOM 8283 C CE2 . PHE F 2 118 ? 230.467 32.106 19.869 1.00 37.38 ? 116 PHE L CE2 1 ATOM 8284 C CZ . PHE F 2 118 ? 231.773 32.149 19.407 1.00 41.24 ? 116 PHE L CZ 1 ATOM 8285 N N . ILE F 2 119 ? 227.074 35.992 15.251 1.00 36.92 ? 117 ILE L N 1 ATOM 8286 C CA . ILE F 2 119 ? 225.941 36.279 14.384 1.00 43.92 ? 117 ILE L CA 1 ATOM 8287 C C . ILE F 2 119 ? 226.180 35.599 13.042 1.00 42.37 ? 117 ILE L C 1 ATOM 8288 O O . ILE F 2 119 ? 227.313 35.559 12.545 1.00 47.68 ? 117 ILE L O 1 ATOM 8289 C CB . ILE F 2 119 ? 225.711 37.801 14.231 1.00 39.70 ? 117 ILE L CB 1 ATOM 8290 C CG1 . ILE F 2 119 ? 224.366 38.085 13.557 1.00 41.39 ? 117 ILE L CG1 1 ATOM 8291 C CG2 . ILE F 2 119 ? 226.857 38.461 13.483 1.00 32.73 ? 117 ILE L CG2 1 ATOM 8292 C CD1 . ILE F 2 119 ? 224.070 39.559 13.385 1.00 38.04 ? 117 ILE L CD1 1 ATOM 8293 N N . PHE F 2 120 ? 225.119 35.019 12.484 1.00 48.29 ? 118 PHE L N 1 ATOM 8294 C CA . PHE F 2 120 ? 225.179 34.242 11.250 1.00 42.99 ? 118 PHE L CA 1 ATOM 8295 C C . PHE F 2 120 ? 224.209 34.841 10.239 1.00 46.15 ? 118 PHE L C 1 ATOM 8296 O O . PHE F 2 120 ? 222.997 34.898 10.513 1.00 50.11 ? 118 PHE L O 1 ATOM 8297 C CB . PHE F 2 120 ? 224.824 32.772 11.494 1.00 37.16 ? 118 PHE L CB 1 ATOM 8298 C CG . PHE F 2 120 ? 225.721 32.062 12.482 1.00 46.90 ? 118 PHE L CG 1 ATOM 8299 C CD1 . PHE F 2 120 ? 226.887 31.435 12.056 1.00 33.28 ? 118 PHE L CD1 1 ATOM 8300 C CD2 . PHE F 2 120 ? 225.373 31.982 13.827 1.00 37.30 ? 118 PHE L CD2 1 ATOM 8301 C CE1 . PHE F 2 120 ? 227.705 30.757 12.953 1.00 32.74 ? 118 PHE L CE1 1 ATOM 8302 C CE2 . PHE F 2 120 ? 226.184 31.309 14.731 1.00 44.34 ? 118 PHE L CE2 1 ATOM 8303 C CZ . PHE F 2 120 ? 227.355 30.694 14.294 1.00 37.16 ? 118 PHE L CZ 1 ATOM 8304 N N . PRO F 2 121 ? 224.671 35.298 9.079 1.00 47.64 ? 119 PRO L N 1 ATOM 8305 C CA . PRO F 2 121 ? 223.745 35.704 8.011 1.00 51.78 ? 119 PRO L CA 1 ATOM 8306 C C . PRO F 2 121 ? 223.001 34.508 7.444 1.00 49.51 ? 119 PRO L C 1 ATOM 8307 O O . PRO F 2 121 ? 223.393 33.354 7.676 1.00 53.78 ? 119 PRO L O 1 ATOM 8308 C CB . PRO F 2 121 ? 224.675 36.330 6.960 1.00 52.25 ? 119 PRO L CB 1 ATOM 8309 C CG . PRO F 2 121 ? 226.016 35.760 7.252 1.00 49.98 ? 119 PRO L CG 1 ATOM 8310 C CD . PRO F 2 121 ? 226.069 35.603 8.741 1.00 40.67 ? 119 PRO L CD 1 ATOM 8311 N N . PRO F 2 122 ? 221.917 34.736 6.700 1.00 48.57 ? 120 PRO L N 1 ATOM 8312 C CA . PRO F 2 122 ? 221.210 33.613 6.071 1.00 51.57 ? 120 PRO L CA 1 ATOM 8313 C C . PRO F 2 122 ? 222.074 32.937 5.018 1.00 57.23 ? 120 PRO L C 1 ATOM 8314 O O . PRO F 2 122 ? 222.792 33.597 4.263 1.00 54.32 ? 120 PRO L O 1 ATOM 8315 C CB . PRO F 2 122 ? 219.980 34.271 5.428 1.00 48.42 ? 120 PRO L CB 1 ATOM 8316 C CG . PRO F 2 122 ? 219.872 35.610 6.042 1.00 50.59 ? 120 PRO L CG 1 ATOM 8317 C CD . PRO F 2 122 ? 221.256 36.023 6.427 1.00 49.83 ? 120 PRO L CD 1 ATOM 8318 N N . SER F 2 123 ? 221.985 31.610 4.966 1.00 41.64 ? 121 SER L N 1 ATOM 8319 C CA . SER F 2 123 ? 222.658 30.858 3.919 1.00 54.78 ? 121 SER L CA 1 ATOM 8320 C C . SER F 2 123 ? 222.047 31.178 2.560 1.00 57.25 ? 121 SER L C 1 ATOM 8321 O O . SER F 2 123 ? 220.875 31.550 2.451 1.00 61.20 ? 121 SER L O 1 ATOM 8322 C CB . SER F 2 123 ? 222.563 29.355 4.185 1.00 59.84 ? 121 SER L CB 1 ATOM 8323 O OG . SER F 2 123 ? 221.265 28.868 3.890 1.00 64.55 ? 121 SER L OG 1 ATOM 8324 N N . ASP F 2 124 ? 222.863 31.041 1.514 1.00 59.52 ? 122 ASP L N 1 ATOM 8325 C CA . ASP F 2 124 ? 222.338 31.204 0.163 1.00 72.29 ? 122 ASP L CA 1 ATOM 8326 C C . ASP F 2 124 ? 221.275 30.158 -0.145 1.00 67.15 ? 122 ASP L C 1 ATOM 8327 O O . ASP F 2 124 ? 220.349 30.426 -0.919 1.00 71.97 ? 122 ASP L O 1 ATOM 8328 C CB . ASP F 2 124 ? 223.473 31.132 -0.860 1.00 84.91 ? 122 ASP L CB 1 ATOM 8329 C CG . ASP F 2 124 ? 224.381 32.346 -0.809 1.00 97.89 ? 122 ASP L CG 1 ATOM 8330 O OD1 . ASP F 2 124 ? 223.856 33.482 -0.810 1.00 94.82 ? 122 ASP L OD1 1 ATOM 8331 O OD2 . ASP F 2 124 ? 225.617 32.164 -0.759 1.00 112.00 -1 122 ASP L OD2 1 ATOM 8332 N N . GLU F 2 125 ? 221.383 28.972 0.458 1.00 63.31 ? 123 GLU L N 1 ATOM 8333 C CA . GLU F 2 125 ? 220.398 27.924 0.210 1.00 63.87 ? 123 GLU L CA 1 ATOM 8334 C C . GLU F 2 125 ? 219.019 28.327 0.726 1.00 55.54 ? 123 GLU L C 1 ATOM 8335 O O . GLU F 2 125 ? 218.001 28.050 0.082 1.00 58.08 ? 123 GLU L O 1 ATOM 8336 C CB . GLU F 2 125 ? 220.865 26.616 0.852 1.00 70.74 ? 123 GLU L CB 1 ATOM 8337 C CG . GLU F 2 125 ? 222.380 26.406 0.783 1.00 92.98 ? 123 GLU L CG 1 ATOM 8338 C CD . GLU F 2 125 ? 222.854 25.171 1.546 1.00 110.59 ? 123 GLU L CD 1 ATOM 8339 O OE1 . GLU F 2 125 ? 221.999 24.354 1.961 1.00 118.63 ? 123 GLU L OE1 1 ATOM 8340 O OE2 . GLU F 2 125 ? 224.084 25.023 1.733 1.00 109.01 -1 123 GLU L OE2 1 ATOM 8341 N N . GLN F 2 126 ? 218.962 28.997 1.879 1.00 48.99 ? 124 GLN L N 1 ATOM 8342 C CA . GLN F 2 126 ? 217.671 29.430 2.404 1.00 52.31 ? 124 GLN L CA 1 ATOM 8343 C C . GLN F 2 126 ? 217.060 30.531 1.549 1.00 57.81 ? 124 GLN L C 1 ATOM 8344 O O . GLN F 2 126 ? 215.839 30.575 1.370 1.00 65.39 ? 124 GLN L O 1 ATOM 8345 C CB . GLN F 2 126 ? 217.814 29.907 3.848 1.00 50.25 ? 124 GLN L CB 1 ATOM 8346 C CG . GLN F 2 126 ? 216.487 30.207 4.536 1.00 51.32 ? 124 GLN L CG 1 ATOM 8347 C CD . GLN F 2 126 ? 216.680 30.749 5.937 1.00 57.46 ? 124 GLN L CD 1 ATOM 8348 O OE1 . GLN F 2 126 ? 217.786 31.149 6.315 1.00 57.20 ? 124 GLN L OE1 1 ATOM 8349 N NE2 . GLN F 2 126 ? 215.606 30.760 6.720 1.00 50.76 ? 124 GLN L NE2 1 ATOM 8350 N N . LEU F 2 127 ? 217.894 31.424 1.009 1.00 67.39 ? 125 LEU L N 1 ATOM 8351 C CA . LEU F 2 127 ? 217.386 32.578 0.272 1.00 65.19 ? 125 LEU L CA 1 ATOM 8352 C C . LEU F 2 127 ? 216.637 32.176 -0.994 1.00 76.41 ? 125 LEU L C 1 ATOM 8353 O O . LEU F 2 127 ? 215.782 32.932 -1.471 1.00 83.69 ? 125 LEU L O 1 ATOM 8354 C CB . LEU F 2 127 ? 218.536 33.521 -0.071 1.00 66.39 ? 125 LEU L CB 1 ATOM 8355 C CG . LEU F 2 127 ? 219.168 34.259 1.106 1.00 65.78 ? 125 LEU L CG 1 ATOM 8356 C CD1 . LEU F 2 127 ? 220.427 34.979 0.652 1.00 64.41 ? 125 LEU L CD1 1 ATOM 8357 C CD2 . LEU F 2 127 ? 218.174 35.237 1.729 1.00 47.74 ? 125 LEU L CD2 1 ATOM 8358 N N . LYS F 2 128 ? 216.939 31.005 -1.556 1.00 78.96 ? 126 LYS L N 1 ATOM 8359 C CA . LYS F 2 128 ? 216.170 30.510 -2.690 1.00 78.75 ? 126 LYS L CA 1 ATOM 8360 C C . LYS F 2 128 ? 214.808 29.958 -2.284 1.00 79.82 ? 126 LYS L C 1 ATOM 8361 O O . LYS F 2 128 ? 213.968 29.729 -3.159 1.00 93.00 ? 126 LYS L O 1 ATOM 8362 C CB . LYS F 2 128 ? 216.967 29.439 -3.442 1.00 82.97 ? 126 LYS L CB 1 ATOM 8363 C CG . LYS F 2 128 ? 218.202 29.972 -4.169 1.00 89.36 ? 126 LYS L CG 1 ATOM 8364 C CD . LYS F 2 128 ? 217.855 31.118 -5.126 1.00 100.58 ? 126 LYS L CD 1 ATOM 8365 C CE . LYS F 2 128 ? 216.942 30.662 -6.268 1.00 100.93 ? 126 LYS L CE 1 ATOM 8366 N NZ . LYS F 2 128 ? 216.611 31.766 -7.219 1.00 90.74 1 126 LYS L NZ 1 ATOM 8367 N N . SER F 2 129 ? 214.561 29.753 -0.989 1.00 79.09 ? 127 SER L N 1 ATOM 8368 C CA . SER F 2 129 ? 213.286 29.216 -0.530 1.00 80.12 ? 127 SER L CA 1 ATOM 8369 C C . SER F 2 129 ? 212.228 30.289 -0.302 1.00 89.16 ? 127 SER L C 1 ATOM 8370 O O . SER F 2 129 ? 211.036 29.961 -0.262 1.00 96.28 ? 127 SER L O 1 ATOM 8371 C CB . SER F 2 129 ? 213.476 28.421 0.766 1.00 71.69 ? 127 SER L CB 1 ATOM 8372 O OG . SER F 2 129 ? 213.567 29.287 1.885 1.00 74.56 ? 127 SER L OG 1 ATOM 8373 N N . GLY F 2 130 ? 212.626 31.549 -0.133 1.00 83.28 ? 128 GLY L N 1 ATOM 8374 C CA . GLY F 2 130 ? 211.696 32.657 -0.005 1.00 75.13 ? 128 GLY L CA 1 ATOM 8375 C C . GLY F 2 130 ? 211.802 33.440 1.289 1.00 72.24 ? 128 GLY L C 1 ATOM 8376 O O . GLY F 2 130 ? 211.273 34.559 1.365 1.00 74.59 ? 128 GLY L O 1 ATOM 8377 N N . THR F 2 131 ? 212.453 32.900 2.314 1.00 58.88 ? 129 THR L N 1 ATOM 8378 C CA . THR F 2 131 ? 212.584 33.592 3.586 1.00 61.17 ? 129 THR L CA 1 ATOM 8379 C C . THR F 2 131 ? 214.052 33.655 3.983 1.00 57.26 ? 129 THR L C 1 ATOM 8380 O O . THR F 2 131 ? 214.914 32.998 3.394 1.00 59.18 ? 129 THR L O 1 ATOM 8381 C CB . THR F 2 131 ? 211.758 32.911 4.689 1.00 71.24 ? 129 THR L CB 1 ATOM 8382 O OG1 . THR F 2 131 ? 212.080 31.517 4.732 1.00 87.21 ? 129 THR L OG1 1 ATOM 8383 C CG2 . THR F 2 131 ? 210.264 33.080 4.426 1.00 66.65 ? 129 THR L CG2 1 ATOM 8384 N N . ALA F 2 132 ? 214.334 34.470 4.994 1.00 50.63 ? 130 ALA L N 1 ATOM 8385 C CA . ALA F 2 132 ? 215.693 34.658 5.473 1.00 48.52 ? 130 ALA L CA 1 ATOM 8386 C C . ALA F 2 132 ? 215.677 34.679 6.992 1.00 52.70 ? 130 ALA L C 1 ATOM 8387 O O . ALA F 2 132 ? 214.850 35.365 7.599 1.00 60.24 ? 130 ALA L O 1 ATOM 8388 C CB . ALA F 2 132 ? 216.306 35.951 4.925 1.00 46.09 ? 130 ALA L CB 1 ATOM 8389 N N . SER F 2 133 ? 216.580 33.915 7.596 1.00 54.15 ? 131 SER L N 1 ATOM 8390 C CA . SER F 2 133 ? 216.696 33.819 9.044 1.00 47.49 ? 131 SER L CA 1 ATOM 8391 C C . SER F 2 133 ? 218.108 34.217 9.434 1.00 44.98 ? 131 SER L C 1 ATOM 8392 O O . SER F 2 133 ? 219.079 33.629 8.946 1.00 46.38 ? 131 SER L O 1 ATOM 8393 C CB . SER F 2 133 ? 216.386 32.404 9.535 1.00 39.69 ? 131 SER L CB 1 ATOM 8394 O OG . SER F 2 133 ? 215.044 32.042 9.258 1.00 46.67 ? 131 SER L OG 1 ATOM 8395 N N . VAL F 2 134 ? 218.218 35.221 10.294 1.00 40.81 ? 132 VAL L N 1 ATOM 8396 C CA . VAL F 2 134 ? 219.489 35.636 10.867 1.00 36.76 ? 132 VAL L CA 1 ATOM 8397 C C . VAL F 2 134 ? 219.536 35.113 12.296 1.00 43.33 ? 132 VAL L C 1 ATOM 8398 O O . VAL F 2 134 ? 218.571 35.276 13.052 1.00 44.09 ? 132 VAL L O 1 ATOM 8399 C CB . VAL F 2 134 ? 219.643 37.165 10.819 1.00 44.87 ? 132 VAL L CB 1 ATOM 8400 C CG1 . VAL F 2 134 ? 221.093 37.563 11.019 1.00 43.60 ? 132 VAL L CG1 1 ATOM 8401 C CG2 . VAL F 2 134 ? 219.101 37.714 9.494 1.00 44.96 ? 132 VAL L CG2 1 ATOM 8402 N N . VAL F 2 135 ? 220.637 34.461 12.664 1.00 37.55 ? 133 VAL L N 1 ATOM 8403 C CA . VAL F 2 135 ? 220.756 33.793 13.954 1.00 33.68 ? 133 VAL L CA 1 ATOM 8404 C C . VAL F 2 135 ? 221.859 34.464 14.758 1.00 44.87 ? 133 VAL L C 1 ATOM 8405 O O . VAL F 2 135 ? 223.016 34.506 14.323 1.00 53.40 ? 133 VAL L O 1 ATOM 8406 C CB . VAL F 2 135 ? 221.039 32.293 13.793 1.00 43.68 ? 133 VAL L CB 1 ATOM 8407 C CG1 . VAL F 2 135 ? 221.270 31.659 15.149 1.00 42.72 ? 133 VAL L CG1 1 ATOM 8408 C CG2 . VAL F 2 135 ? 219.881 31.615 13.072 1.00 43.22 ? 133 VAL L CG2 1 ATOM 8409 N N . CYS F 2 136 ? 221.500 34.985 15.928 1.00 44.78 ? 134 CYS L N 1 ATOM 8410 C CA . CYS F 2 136 ? 222.452 35.449 16.927 1.00 46.09 ? 134 CYS L CA 1 ATOM 8411 C C . CYS F 2 136 ? 222.606 34.357 17.979 1.00 44.44 ? 134 CYS L C 1 ATOM 8412 O O . CYS F 2 136 ? 221.608 33.792 18.439 1.00 43.94 ? 134 CYS L O 1 ATOM 8413 C CB . CYS F 2 136 ? 221.964 36.752 17.564 1.00 49.28 ? 134 CYS L CB 1 ATOM 8414 S SG . CYS F 2 136 ? 223.131 37.702 18.588 1.00 58.75 ? 134 CYS L SG 1 ATOM 8415 N N . LEU F 2 137 ? 223.846 34.039 18.342 1.00 35.65 ? 135 LEU L N 1 ATOM 8416 C CA . LEU F 2 137 ? 224.112 33.016 19.347 1.00 34.60 ? 135 LEU L CA 1 ATOM 8417 C C . LEU F 2 137 ? 224.863 33.622 20.527 1.00 42.09 ? 135 LEU L C 1 ATOM 8418 O O . LEU F 2 137 ? 225.875 34.308 20.341 1.00 40.83 ? 135 LEU L O 1 ATOM 8419 C CB . LEU F 2 137 ? 224.903 31.848 18.757 1.00 27.26 ? 135 LEU L CB 1 ATOM 8420 C CG . LEU F 2 137 ? 225.676 30.955 19.732 1.00 45.92 ? 135 LEU L CG 1 ATOM 8421 C CD1 . LEU F 2 137 ? 224.764 30.161 20.669 1.00 38.57 ? 135 LEU L CD1 1 ATOM 8422 C CD2 . LEU F 2 137 ? 226.591 30.020 18.956 1.00 47.83 ? 135 LEU L CD2 1 ATOM 8423 N N . LEU F 2 138 ? 224.348 33.372 21.732 1.00 36.10 ? 136 LEU L N 1 ATOM 8424 C CA . LEU F 2 138 ? 225.012 33.692 22.989 1.00 31.54 ? 136 LEU L CA 1 ATOM 8425 C C . LEU F 2 138 ? 225.413 32.378 23.641 1.00 31.36 ? 136 LEU L C 1 ATOM 8426 O O . LEU F 2 138 ? 224.547 31.601 24.058 1.00 44.12 ? 136 LEU L O 1 ATOM 8427 C CB . LEU F 2 138 ? 224.099 34.473 23.936 1.00 37.19 ? 136 LEU L CB 1 ATOM 8428 C CG . LEU F 2 138 ? 223.688 35.924 23.727 1.00 31.32 ? 136 LEU L CG 1 ATOM 8429 C CD1 . LEU F 2 138 ? 223.071 36.123 22.358 1.00 39.44 ? 136 LEU L CD1 1 ATOM 8430 C CD2 . LEU F 2 138 ? 222.689 36.296 24.798 1.00 29.35 ? 136 LEU L CD2 1 ATOM 8431 N N . ASN F 2 139 ? 226.715 32.145 23.766 1.00 33.44 ? 137 ASN L N 1 ATOM 8432 C CA . ASN F 2 139 ? 227.234 30.839 24.149 1.00 40.54 ? 137 ASN L CA 1 ATOM 8433 C C . ASN F 2 139 ? 227.879 30.896 25.533 1.00 32.14 ? 137 ASN L C 1 ATOM 8434 O O . ASN F 2 139 ? 228.699 31.778 25.798 1.00 39.57 ? 137 ASN L O 1 ATOM 8435 C CB . ASN F 2 139 ? 228.233 30.358 23.093 1.00 34.81 ? 137 ASN L CB 1 ATOM 8436 C CG . ASN F 2 139 ? 228.582 28.905 23.243 1.00 46.21 ? 137 ASN L CG 1 ATOM 8437 O OD1 . ASN F 2 139 ? 229.712 28.564 23.581 1.00 56.50 ? 137 ASN L OD1 1 ATOM 8438 N ND2 . ASN F 2 139 ? 227.611 28.034 23.005 1.00 56.25 ? 137 ASN L ND2 1 ATOM 8439 N N . ASN F 2 140 ? 227.468 29.975 26.416 1.00 37.00 ? 138 ASN L N 1 ATOM 8440 C CA . ASN F 2 140 ? 228.143 29.630 27.679 1.00 40.13 ? 138 ASN L CA 1 ATOM 8441 C C . ASN F 2 140 ? 228.224 30.823 28.638 1.00 41.46 ? 138 ASN L C 1 ATOM 8442 O O . ASN F 2 140 ? 229.302 31.289 29.014 1.00 34.91 ? 138 ASN L O 1 ATOM 8443 C CB . ASN F 2 140 ? 229.550 29.068 27.433 1.00 29.47 ? 138 ASN L CB 1 ATOM 8444 C CG . ASN F 2 140 ? 229.528 27.737 26.723 1.00 39.59 ? 138 ASN L CG 1 ATOM 8445 O OD1 . ASN F 2 140 ? 228.535 27.022 26.761 1.00 39.25 ? 138 ASN L OD1 1 ATOM 8446 N ND2 . ASN F 2 140 ? 230.623 27.406 26.054 1.00 54.72 ? 138 ASN L ND2 1 ATOM 8447 N N . PHE F 2 141 ? 227.053 31.268 29.074 1.00 36.37 ? 139 PHE L N 1 ATOM 8448 C CA . PHE F 2 141 ? 226.964 32.405 29.978 1.00 32.33 ? 139 PHE L CA 1 ATOM 8449 C C . PHE F 2 141 ? 226.208 32.030 31.250 1.00 28.71 ? 139 PHE L C 1 ATOM 8450 O O . PHE F 2 141 ? 225.493 31.023 31.312 1.00 32.79 ? 139 PHE L O 1 ATOM 8451 C CB . PHE F 2 141 ? 226.293 33.607 29.290 1.00 27.99 ? 139 PHE L CB 1 ATOM 8452 C CG . PHE F 2 141 ? 224.858 33.371 28.898 1.00 30.34 ? 139 PHE L CG 1 ATOM 8453 C CD1 . PHE F 2 141 ? 223.828 33.676 29.776 1.00 23.33 ? 139 PHE L CD1 1 ATOM 8454 C CD2 . PHE F 2 141 ? 224.536 32.871 27.640 1.00 29.03 ? 139 PHE L CD2 1 ATOM 8455 C CE1 . PHE F 2 141 ? 222.502 33.471 29.413 1.00 39.71 ? 139 PHE L CE1 1 ATOM 8456 C CE2 . PHE F 2 141 ? 223.214 32.658 27.272 1.00 29.34 ? 139 PHE L CE2 1 ATOM 8457 C CZ . PHE F 2 141 ? 222.197 32.963 28.152 1.00 27.48 ? 139 PHE L CZ 1 ATOM 8458 N N . TYR F 2 142 ? 226.394 32.849 32.274 1.00 35.27 ? 140 TYR L N 1 ATOM 8459 C CA . TYR F 2 142 ? 225.686 32.696 33.538 1.00 27.11 ? 140 TYR L CA 1 ATOM 8460 C C . TYR F 2 142 ? 225.667 34.061 34.223 1.00 34.64 ? 140 TYR L C 1 ATOM 8461 O O . TYR F 2 142 ? 226.660 34.793 34.177 1.00 44.41 ? 140 TYR L O 1 ATOM 8462 C CB . TYR F 2 142 ? 226.344 31.635 34.448 1.00 25.56 ? 140 TYR L CB 1 ATOM 8463 C CG . TYR F 2 142 ? 225.485 31.350 35.657 1.00 28.84 ? 140 TYR L CG 1 ATOM 8464 C CD1 . TYR F 2 142 ? 224.509 30.369 35.611 1.00 23.66 ? 140 TYR L CD1 1 ATOM 8465 C CD2 . TYR F 2 142 ? 225.592 32.121 36.816 1.00 24.98 ? 140 TYR L CD2 1 ATOM 8466 C CE1 . TYR F 2 142 ? 223.686 30.135 36.688 1.00 23.64 ? 140 TYR L CE1 1 ATOM 8467 C CE2 . TYR F 2 142 ? 224.763 31.899 37.891 1.00 30.71 ? 140 TYR L CE2 1 ATOM 8468 C CZ . TYR F 2 142 ? 223.812 30.899 37.820 1.00 24.12 ? 140 TYR L CZ 1 ATOM 8469 O OH . TYR F 2 142 ? 222.992 30.657 38.896 1.00 46.96 ? 140 TYR L OH 1 ATOM 8470 N N . PRO F 2 143 ? 224.538 34.419 34.851 1.00 33.52 ? 141 PRO L N 1 ATOM 8471 C CA . PRO F 2 143 ? 223.284 33.661 34.893 1.00 29.55 ? 141 PRO L CA 1 ATOM 8472 C C . PRO F 2 143 ? 222.455 33.797 33.619 1.00 27.99 ? 141 PRO L C 1 ATOM 8473 O O . PRO F 2 143 ? 222.931 34.338 32.625 1.00 32.69 ? 141 PRO L O 1 ATOM 8474 C CB . PRO F 2 143 ? 222.548 34.276 36.088 1.00 28.33 ? 141 PRO L CB 1 ATOM 8475 C CG . PRO F 2 143 ? 223.008 35.682 36.101 1.00 33.55 ? 141 PRO L CG 1 ATOM 8476 C CD . PRO F 2 143 ? 224.483 35.606 35.721 1.00 32.14 ? 141 PRO L CD 1 ATOM 8477 N N . ARG F 2 144 ? 221.203 33.342 33.692 1.00 32.13 ? 142 ARG L N 1 ATOM 8478 C CA . ARG F 2 144 ? 220.365 33.154 32.515 1.00 39.66 ? 142 ARG L CA 1 ATOM 8479 C C . ARG F 2 144 ? 219.899 34.467 31.904 1.00 40.59 ? 142 ARG L C 1 ATOM 8480 O O . ARG F 2 144 ? 219.738 34.552 30.681 1.00 53.82 ? 142 ARG L O 1 ATOM 8481 C CB . ARG F 2 144 ? 219.151 32.306 32.895 1.00 39.36 ? 142 ARG L CB 1 ATOM 8482 C CG . ARG F 2 144 ? 218.285 31.832 31.741 1.00 54.30 ? 142 ARG L CG 1 ATOM 8483 C CD . ARG F 2 144 ? 216.950 31.373 32.291 1.00 69.91 ? 142 ARG L CD 1 ATOM 8484 N NE . ARG F 2 144 ? 216.298 30.352 31.479 1.00 75.40 ? 142 ARG L NE 1 ATOM 8485 C CZ . ARG F 2 144 ? 215.407 30.605 30.526 1.00 85.55 ? 142 ARG L CZ 1 ATOM 8486 N NH1 . ARG F 2 144 ? 215.065 31.855 30.241 1.00 85.83 1 142 ARG L NH1 1 ATOM 8487 N NH2 . ARG F 2 144 ? 214.861 29.604 29.851 1.00 93.24 ? 142 ARG L NH2 1 ATOM 8488 N N . GLU F 2 145 ? 219.683 35.483 32.730 1.00 27.95 ? 143 GLU L N 1 ATOM 8489 C CA . GLU F 2 145 ? 219.086 36.731 32.281 1.00 42.10 ? 143 GLU L CA 1 ATOM 8490 C C . GLU F 2 145 ? 219.950 37.395 31.229 1.00 44.36 ? 143 GLU L C 1 ATOM 8491 O O . GLU F 2 145 ? 221.132 37.644 31.454 1.00 46.00 ? 143 GLU L O 1 ATOM 8492 C CB . GLU F 2 145 ? 218.872 37.666 33.469 1.00 42.37 ? 143 GLU L CB 1 ATOM 8493 C CG . GLU F 2 145 ? 217.703 37.261 34.358 1.00 77.40 ? 143 GLU L CG 1 ATOM 8494 C CD . GLU F 2 145 ? 217.961 35.981 35.157 1.00 90.06 ? 143 GLU L CD 1 ATOM 8495 O OE1 . GLU F 2 145 ? 219.047 35.867 35.776 1.00 76.70 ? 143 GLU L OE1 1 ATOM 8496 O OE2 . GLU F 2 145 ? 217.075 35.090 35.154 1.00 96.42 -1 143 GLU L OE2 1 ATOM 8497 N N . ALA F 2 146 ? 219.350 37.684 30.084 1.00 40.82 ? 144 ALA L N 1 ATOM 8498 C CA . ALA F 2 146 ? 220.046 38.317 28.981 1.00 41.39 ? 144 ALA L CA 1 ATOM 8499 C C . ALA F 2 146 ? 219.017 38.991 28.083 1.00 46.12 ? 144 ALA L C 1 ATOM 8500 O O . ALA F 2 146 ? 217.956 38.426 27.801 1.00 55.74 ? 144 ALA L O 1 ATOM 8501 C CB . ALA F 2 146 ? 220.880 37.298 28.196 1.00 24.74 ? 144 ALA L CB 1 ATOM 8502 N N . LYS F 2 147 ? 219.333 40.209 27.659 1.00 41.42 ? 145 LYS L N 1 ATOM 8503 C CA . LYS F 2 147 ? 218.512 40.973 26.728 1.00 45.59 ? 145 LYS L CA 1 ATOM 8504 C C . LYS F 2 147 ? 219.179 40.913 25.357 1.00 49.66 ? 145 LYS L C 1 ATOM 8505 O O . LYS F 2 147 ? 220.365 41.235 25.229 1.00 46.68 ? 145 LYS L O 1 ATOM 8506 C CB . LYS F 2 147 ? 218.354 42.423 27.203 1.00 52.18 ? 145 LYS L CB 1 ATOM 8507 C CG . LYS F 2 147 ? 217.151 43.174 26.614 1.00 64.19 ? 145 LYS L CG 1 ATOM 8508 C CD . LYS F 2 147 ? 217.017 44.591 27.183 1.00 59.18 ? 145 LYS L CD 1 ATOM 8509 N N . VAL F 2 148 ? 218.424 40.481 24.347 1.00 48.65 ? 146 VAL L N 1 ATOM 8510 C CA . VAL F 2 148 ? 218.894 40.390 22.968 1.00 43.47 ? 146 VAL L CA 1 ATOM 8511 C C . VAL F 2 148 ? 217.971 41.248 22.112 1.00 51.19 ? 146 VAL L C 1 ATOM 8512 O O . VAL F 2 148 ? 216.752 41.036 22.104 1.00 57.38 ? 146 VAL L O 1 ATOM 8513 C CB . VAL F 2 148 ? 218.916 38.938 22.462 1.00 47.59 ? 146 VAL L CB 1 ATOM 8514 C CG1 . VAL F 2 148 ? 219.465 38.875 21.037 1.00 50.01 ? 146 VAL L CG1 1 ATOM 8515 C CG2 . VAL F 2 148 ? 219.730 38.068 23.388 1.00 46.49 ? 146 VAL L CG2 1 ATOM 8516 N N . GLN F 2 149 ? 218.547 42.211 21.395 1.00 45.43 ? 147 GLN L N 1 ATOM 8517 C CA . GLN F 2 149 ? 217.779 43.145 20.584 1.00 51.76 ? 147 GLN L CA 1 ATOM 8518 C C . GLN F 2 149 ? 218.331 43.180 19.167 1.00 51.81 ? 147 GLN L C 1 ATOM 8519 O O . GLN F 2 149 ? 219.545 43.293 18.971 1.00 50.69 ? 147 GLN L O 1 ATOM 8520 C CB . GLN F 2 149 ? 217.793 44.550 21.189 1.00 55.99 ? 147 GLN L CB 1 ATOM 8521 C CG . GLN F 2 149 ? 216.956 44.669 22.445 1.00 70.06 ? 147 GLN L CG 1 ATOM 8522 C CD . GLN F 2 149 ? 216.993 46.060 23.031 1.00 82.24 ? 147 GLN L CD 1 ATOM 8523 O OE1 . GLN F 2 149 ? 218.064 46.648 23.195 1.00 86.37 ? 147 GLN L OE1 1 ATOM 8524 N NE2 . GLN F 2 149 ? 215.820 46.603 23.345 1.00 85.85 ? 147 GLN L NE2 1 ATOM 8525 N N . TRP F 2 150 ? 217.439 43.084 18.190 1.00 50.63 ? 148 TRP L N 1 ATOM 8526 C CA . TRP F 2 150 ? 217.802 43.116 16.784 1.00 43.62 ? 148 TRP L CA 1 ATOM 8527 C C . TRP F 2 150 ? 217.636 44.525 16.246 1.00 46.81 ? 148 TRP L C 1 ATOM 8528 O O . TRP F 2 150 ? 216.657 45.211 16.556 1.00 59.51 ? 148 TRP L O 1 ATOM 8529 C CB . TRP F 2 150 ? 216.943 42.145 15.970 1.00 47.08 ? 148 TRP L CB 1 ATOM 8530 C CG . TRP F 2 150 ? 217.289 40.709 16.211 1.00 40.55 ? 148 TRP L CG 1 ATOM 8531 C CD1 . TRP F 2 150 ? 216.664 39.841 17.062 1.00 45.45 ? 148 TRP L CD1 1 ATOM 8532 C CD2 . TRP F 2 150 ? 218.353 39.975 15.600 1.00 41.91 ? 148 TRP L CD2 1 ATOM 8533 N NE1 . TRP F 2 150 ? 217.273 38.609 17.015 1.00 46.80 ? 148 TRP L NE1 1 ATOM 8534 C CE2 . TRP F 2 150 ? 218.312 38.666 16.123 1.00 44.11 ? 148 TRP L CE2 1 ATOM 8535 C CE3 . TRP F 2 150 ? 219.338 40.296 14.660 1.00 48.03 ? 148 TRP L CE3 1 ATOM 8536 C CZ2 . TRP F 2 150 ? 219.212 37.683 15.735 1.00 46.36 ? 148 TRP L CZ2 1 ATOM 8537 C CZ3 . TRP F 2 150 ? 220.233 39.318 14.279 1.00 46.65 ? 148 TRP L CZ3 1 ATOM 8538 C CH2 . TRP F 2 150 ? 220.164 38.027 14.814 1.00 47.93 ? 148 TRP L CH2 1 ATOM 8539 N N . LYS F 2 151 ? 218.603 44.958 15.446 1.00 51.64 ? 149 LYS L N 1 ATOM 8540 C CA . LYS F 2 151 ? 218.544 46.258 14.798 1.00 50.71 ? 149 LYS L CA 1 ATOM 8541 C C . LYS F 2 151 ? 218.879 46.063 13.330 1.00 53.83 ? 149 LYS L C 1 ATOM 8542 O O . LYS F 2 151 ? 219.833 45.355 12.992 1.00 53.14 ? 149 LYS L O 1 ATOM 8543 C CB . LYS F 2 151 ? 219.488 47.267 15.473 1.00 37.57 ? 149 LYS L CB 1 ATOM 8544 C CG . LYS F 2 151 ? 219.021 47.670 16.884 1.00 59.87 ? 149 LYS L CG 1 ATOM 8545 C CD . LYS F 2 151 ? 219.895 48.742 17.532 1.00 65.85 ? 149 LYS L CD 1 ATOM 8546 N N . VAL F 2 152 ? 218.061 46.651 12.467 1.00 51.84 ? 150 VAL L N 1 ATOM 8547 C CA . VAL F 2 152 ? 218.201 46.539 11.025 1.00 44.62 ? 150 VAL L CA 1 ATOM 8548 C C . VAL F 2 152 ? 218.325 47.954 10.489 1.00 53.47 ? 150 VAL L C 1 ATOM 8549 O O . VAL F 2 152 ? 217.346 48.712 10.496 1.00 56.05 ? 150 VAL L O 1 ATOM 8550 C CB . VAL F 2 152 ? 217.012 45.814 10.389 1.00 48.04 ? 150 VAL L CB 1 ATOM 8551 C CG1 . VAL F 2 152 ? 217.167 45.801 8.887 1.00 54.21 ? 150 VAL L CG1 1 ATOM 8552 C CG2 . VAL F 2 152 ? 216.898 44.402 10.939 1.00 44.53 ? 150 VAL L CG2 1 ATOM 8553 N N . ASP F 2 153 ? 219.526 48.314 10.032 1.00 51.76 ? 151 ASP L N 1 ATOM 8554 C CA . ASP F 2 153 ? 219.831 49.688 9.635 1.00 48.22 ? 151 ASP L CA 1 ATOM 8555 C C . ASP F 2 153 ? 219.470 50.666 10.752 1.00 46.03 ? 151 ASP L C 1 ATOM 8556 O O . ASP F 2 153 ? 218.880 51.724 10.517 1.00 52.93 ? 151 ASP L O 1 ATOM 8557 C CB . ASP F 2 153 ? 219.125 50.064 8.330 1.00 54.13 ? 151 ASP L CB 1 ATOM 8558 C CG . ASP F 2 153 ? 219.772 49.436 7.111 1.00 72.49 ? 151 ASP L CG 1 ATOM 8559 O OD1 . ASP F 2 153 ? 220.932 48.986 7.219 1.00 81.17 ? 151 ASP L OD1 1 ATOM 8560 O OD2 . ASP F 2 153 ? 219.128 49.412 6.037 1.00 81.51 -1 151 ASP L OD2 1 ATOM 8561 N N . ASN F 2 154 ? 219.809 50.288 11.984 1.00 46.84 ? 152 ASN L N 1 ATOM 8562 C CA . ASN F 2 154 ? 219.641 51.055 13.217 1.00 52.41 ? 152 ASN L CA 1 ATOM 8563 C C . ASN F 2 154 ? 218.199 51.072 13.723 1.00 55.37 ? 152 ASN L C 1 ATOM 8564 O O . ASN F 2 154 ? 217.944 51.652 14.781 1.00 60.95 ? 152 ASN L O 1 ATOM 8565 C CB . ASN F 2 154 ? 220.149 52.501 13.085 1.00 49.59 ? 152 ASN L CB 1 ATOM 8566 C CG . ASN F 2 154 ? 221.658 52.579 12.857 1.00 54.91 ? 152 ASN L CG 1 ATOM 8567 O OD1 . ASN F 2 154 ? 222.427 51.790 13.408 1.00 62.15 ? 152 ASN L OD1 1 ATOM 8568 N ND2 . ASN F 2 154 ? 222.082 53.540 12.048 1.00 61.79 ? 152 ASN L ND2 1 ATOM 8569 N N . ALA F 2 155 ? 217.254 50.446 13.022 1.00 52.52 ? 153 ALA L N 1 ATOM 8570 C CA . ALA F 2 155 ? 215.865 50.372 13.469 1.00 51.82 ? 153 ALA L CA 1 ATOM 8571 C C . ALA F 2 155 ? 215.685 49.189 14.416 1.00 49.16 ? 153 ALA L C 1 ATOM 8572 O O . ALA F 2 155 ? 215.908 48.037 14.030 1.00 52.09 ? 153 ALA L O 1 ATOM 8573 C CB . ALA F 2 155 ? 214.920 50.244 12.276 1.00 45.95 ? 153 ALA L CB 1 ATOM 8574 N N . LEU F 2 156 ? 215.267 49.469 15.646 1.00 57.50 ? 154 LEU L N 1 ATOM 8575 C CA . LEU F 2 156 ? 214.967 48.403 16.592 1.00 61.35 ? 154 LEU L CA 1 ATOM 8576 C C . LEU F 2 156 ? 213.820 47.539 16.071 1.00 61.81 ? 154 LEU L C 1 ATOM 8577 O O . LEU F 2 156 ? 212.777 48.055 15.662 1.00 68.36 ? 154 LEU L O 1 ATOM 8578 C CB . LEU F 2 156 ? 214.616 49.003 17.953 1.00 64.21 ? 154 LEU L CB 1 ATOM 8579 C CG . LEU F 2 156 ? 214.168 48.048 19.058 1.00 71.07 ? 154 LEU L CG 1 ATOM 8580 C CD1 . LEU F 2 156 ? 215.206 46.949 19.291 1.00 78.53 ? 154 LEU L CD1 1 ATOM 8581 C CD2 . LEU F 2 156 ? 213.892 48.827 20.337 1.00 63.47 ? 154 LEU L CD2 1 ATOM 8582 N N . GLN F 2 157 ? 214.024 46.222 16.076 1.00 55.30 ? 155 GLN L N 1 ATOM 8583 C CA . GLN F 2 157 ? 213.035 45.271 15.580 1.00 56.89 ? 155 GLN L CA 1 ATOM 8584 C C . GLN F 2 157 ? 212.098 44.823 16.693 1.00 55.76 ? 155 GLN L C 1 ATOM 8585 O O . GLN F 2 157 ? 212.479 44.746 17.864 1.00 51.32 ? 155 GLN L O 1 ATOM 8586 C CB . GLN F 2 157 ? 213.706 44.036 14.970 1.00 48.17 ? 155 GLN L CB 1 ATOM 8587 C CG . GLN F 2 157 ? 214.501 44.307 13.710 1.00 46.29 ? 155 GLN L CG 1 ATOM 8588 C CD . GLN F 2 157 ? 213.706 45.085 12.688 1.00 42.64 ? 155 GLN L CD 1 ATOM 8589 O OE1 . GLN F 2 157 ? 212.681 44.621 12.195 1.00 52.89 ? 155 GLN L OE1 1 ATOM 8590 N NE2 . GLN F 2 157 ? 214.170 46.281 12.375 1.00 50.89 ? 155 GLN L NE2 1 ATOM 8591 N N . SER F 2 158 ? 210.868 44.495 16.309 1.00 59.48 ? 156 SER L N 1 ATOM 8592 C CA . SER F 2 158 ? 209.867 44.082 17.280 1.00 64.60 ? 156 SER L CA 1 ATOM 8593 C C . SER F 2 158 ? 208.935 43.054 16.650 1.00 51.99 ? 156 SER L C 1 ATOM 8594 O O . SER F 2 158 ? 208.484 43.229 15.515 1.00 56.49 ? 156 SER L O 1 ATOM 8595 C CB . SER F 2 158 ? 209.069 45.288 17.789 1.00 79.27 ? 156 SER L CB 1 ATOM 8596 O OG . SER F 2 158 ? 208.306 44.952 18.934 1.00 92.17 ? 156 SER L OG 1 ATOM 8597 N N . GLY F 2 159 ? 208.657 41.985 17.398 1.00 38.59 ? 157 GLY L N 1 ATOM 8598 C CA . GLY F 2 159 ? 207.673 40.988 17.016 1.00 43.42 ? 157 GLY L CA 1 ATOM 8599 C C . GLY F 2 159 ? 208.060 40.072 15.875 1.00 54.74 ? 157 GLY L C 1 ATOM 8600 O O . GLY F 2 159 ? 207.196 39.347 15.369 1.00 59.97 ? 157 GLY L O 1 ATOM 8601 N N . ASN F 2 160 ? 209.325 40.077 15.450 1.00 51.07 ? 158 ASN L N 1 ATOM 8602 C CA . ASN F 2 160 ? 209.777 39.236 14.348 1.00 49.45 ? 158 ASN L CA 1 ATOM 8603 C C . ASN F 2 160 ? 211.013 38.434 14.738 1.00 42.56 ? 158 ASN L C 1 ATOM 8604 O O . ASN F 2 160 ? 211.866 38.140 13.896 1.00 47.60 ? 158 ASN L O 1 ATOM 8605 C CB . ASN F 2 160 ? 210.042 40.069 13.090 1.00 39.77 ? 158 ASN L CB 1 ATOM 8606 C CG . ASN F 2 160 ? 211.020 41.207 13.326 1.00 53.18 ? 158 ASN L CG 1 ATOM 8607 O OD1 . ASN F 2 160 ? 211.424 41.482 14.461 1.00 47.61 ? 158 ASN L OD1 1 ATOM 8608 N ND2 . ASN F 2 160 ? 211.397 41.887 12.247 1.00 46.31 ? 158 ASN L ND2 1 ATOM 8609 N N . SER F 2 161 ? 211.121 38.064 16.010 1.00 42.19 ? 159 SER L N 1 ATOM 8610 C CA . SER F 2 161 ? 212.216 37.215 16.445 1.00 40.44 ? 159 SER L CA 1 ATOM 8611 C C . SER F 2 161 ? 211.731 36.298 17.555 1.00 43.91 ? 159 SER L C 1 ATOM 8612 O O . SER F 2 161 ? 210.750 36.594 18.242 1.00 58.20 ? 159 SER L O 1 ATOM 8613 C CB . SER F 2 161 ? 213.423 38.036 16.914 1.00 40.28 ? 159 SER L CB 1 ATOM 8614 O OG . SER F 2 161 ? 213.113 38.808 18.055 1.00 50.04 ? 159 SER L OG 1 ATOM 8615 N N . GLN F 2 162 ? 212.436 35.180 17.719 1.00 36.23 ? 160 GLN L N 1 ATOM 8616 C CA . GLN F 2 162 ? 212.151 34.211 18.762 1.00 43.27 ? 160 GLN L CA 1 ATOM 8617 C C . GLN F 2 162 ? 213.465 33.755 19.372 1.00 41.51 ? 160 GLN L C 1 ATOM 8618 O O . GLN F 2 162 ? 214.489 33.685 18.689 1.00 45.47 ? 160 GLN L O 1 ATOM 8619 C CB . GLN F 2 162 ? 211.367 33.009 18.219 1.00 44.34 ? 160 GLN L CB 1 ATOM 8620 C CG . GLN F 2 162 ? 209.999 33.375 17.676 1.00 46.47 ? 160 GLN L CG 1 ATOM 8621 C CD . GLN F 2 162 ? 209.226 32.168 17.191 1.00 57.22 ? 160 GLN L CD 1 ATOM 8622 O OE1 . GLN F 2 162 ? 209.523 31.610 16.133 1.00 65.13 ? 160 GLN L OE1 1 ATOM 8623 N NE2 . GLN F 2 162 ? 208.231 31.752 17.967 1.00 55.00 ? 160 GLN L NE2 1 ATOM 8624 N N . GLU F 2 163 ? 213.421 33.451 20.659 1.00 35.89 ? 161 GLU L N 1 ATOM 8625 C CA . GLU F 2 163 ? 214.579 33.073 21.445 1.00 36.41 ? 161 GLU L CA 1 ATOM 8626 C C . GLU F 2 163 ? 214.394 31.659 21.968 1.00 38.50 ? 161 GLU L C 1 ATOM 8627 O O . GLU F 2 163 ? 213.276 31.167 22.115 1.00 34.80 ? 161 GLU L O 1 ATOM 8628 C CB . GLU F 2 163 ? 214.780 34.017 22.639 1.00 41.92 ? 161 GLU L CB 1 ATOM 8629 C CG . GLU F 2 163 ? 215.483 35.330 22.349 1.00 61.74 ? 161 GLU L CG 1 ATOM 8630 C CD . GLU F 2 163 ? 215.741 36.132 23.618 1.00 75.17 ? 161 GLU L CD 1 ATOM 8631 O OE1 . GLU F 2 163 ? 215.604 35.558 24.724 1.00 79.71 ? 161 GLU L OE1 1 ATOM 8632 O OE2 . GLU F 2 163 ? 216.078 37.335 23.511 1.00 83.45 -1 161 GLU L OE2 1 ATOM 8633 N N . SER F 2 164 ? 215.509 31.028 22.301 1.00 45.65 ? 162 SER L N 1 ATOM 8634 C CA . SER F 2 164 ? 215.469 29.695 22.879 1.00 34.59 ? 162 SER L CA 1 ATOM 8635 C C . SER F 2 164 ? 216.728 29.495 23.710 1.00 34.23 ? 162 SER L C 1 ATOM 8636 O O . SER F 2 164 ? 217.840 29.732 23.228 1.00 35.17 ? 162 SER L O 1 ATOM 8637 C CB . SER F 2 164 ? 215.350 28.648 21.775 1.00 34.09 ? 162 SER L CB 1 ATOM 8638 O OG . SER F 2 164 ? 215.628 27.350 22.259 1.00 46.26 ? 162 SER L OG 1 ATOM 8639 N N . VAL F 2 165 ? 216.549 29.078 24.955 1.00 33.22 ? 163 VAL L N 1 ATOM 8640 C CA . VAL F 2 165 ? 217.642 28.901 25.899 1.00 40.49 ? 163 VAL L CA 1 ATOM 8641 C C . VAL F 2 165 ? 217.772 27.418 26.212 1.00 29.54 ? 163 VAL L C 1 ATOM 8642 O O . VAL F 2 165 ? 216.767 26.705 26.315 1.00 40.12 ? 163 VAL L O 1 ATOM 8643 C CB . VAL F 2 165 ? 217.413 29.729 27.181 1.00 43.71 ? 163 VAL L CB 1 ATOM 8644 C CG1 . VAL F 2 165 ? 218.709 29.871 27.966 1.00 48.58 ? 163 VAL L CG1 1 ATOM 8645 C CG2 . VAL F 2 165 ? 216.876 31.091 26.818 1.00 32.56 ? 163 VAL L CG2 1 ATOM 8646 N N . THR F 2 166 ? 219.013 26.947 26.312 1.00 28.87 ? 164 THR L N 1 ATOM 8647 C CA . THR F 2 166 ? 219.278 25.583 26.751 1.00 35.89 ? 164 THR L CA 1 ATOM 8648 C C . THR F 2 166 ? 218.993 25.443 28.245 1.00 36.27 ? 164 THR L C 1 ATOM 8649 O O . THR F 2 166 ? 218.904 26.427 28.984 1.00 35.34 ? 164 THR L O 1 ATOM 8650 C CB . THR F 2 166 ? 220.740 25.195 26.496 1.00 38.59 ? 164 THR L CB 1 ATOM 8651 O OG1 . THR F 2 166 ? 221.600 26.059 27.254 1.00 49.51 ? 164 THR L OG1 1 ATOM 8652 C CG2 . THR F 2 166 ? 221.099 25.308 25.023 1.00 39.68 ? 164 THR L CG2 1 ATOM 8653 N N . GLU F 2 167 ? 218.857 24.199 28.692 1.00 43.75 ? 165 GLU L N 1 ATOM 8654 C CA . GLU F 2 167 ? 218.884 23.951 30.123 1.00 40.21 ? 165 GLU L CA 1 ATOM 8655 C C . GLU F 2 167 ? 220.302 24.163 30.640 1.00 42.60 ? 165 GLU L C 1 ATOM 8656 O O . GLU F 2 167 ? 221.260 24.282 29.875 1.00 45.59 ? 165 GLU L O 1 ATOM 8657 C CB . GLU F 2 167 ? 218.398 22.536 30.446 1.00 39.01 ? 165 GLU L CB 1 ATOM 8658 C CG . GLU F 2 167 ? 216.895 22.312 30.264 1.00 60.01 ? 165 GLU L CG 1 ATOM 8659 C CD . GLU F 2 167 ? 216.043 22.935 31.369 1.00 86.26 ? 165 GLU L CD 1 ATOM 8660 O OE1 . GLU F 2 167 ? 215.938 24.181 31.422 1.00 87.18 ? 165 GLU L OE1 1 ATOM 8661 O OE2 . GLU F 2 167 ? 215.475 22.172 32.186 1.00 98.48 -1 165 GLU L OE2 1 ATOM 8662 N N . GLN F 2 168 ? 220.435 24.218 31.957 1.00 48.82 ? 166 GLN L N 1 ATOM 8663 C CA . GLN F 2 168 ? 221.752 24.429 32.535 1.00 45.81 ? 166 GLN L CA 1 ATOM 8664 C C . GLN F 2 168 ? 222.679 23.281 32.166 1.00 39.67 ? 166 GLN L C 1 ATOM 8665 O O . GLN F 2 168 ? 222.314 22.107 32.278 1.00 42.15 ? 166 GLN L O 1 ATOM 8666 C CB . GLN F 2 168 ? 221.653 24.562 34.047 1.00 46.52 ? 166 GLN L CB 1 ATOM 8667 C CG . GLN F 2 168 ? 222.877 25.152 34.673 1.00 42.34 ? 166 GLN L CG 1 ATOM 8668 C CD . GLN F 2 168 ? 222.622 25.540 36.105 1.00 48.34 ? 166 GLN L CD 1 ATOM 8669 O OE1 . GLN F 2 168 ? 221.877 24.859 36.808 1.00 52.31 ? 166 GLN L OE1 1 ATOM 8670 N NE2 . GLN F 2 168 ? 223.226 26.641 36.548 1.00 32.11 ? 166 GLN L NE2 1 ATOM 8671 N N . ASP F 2 169 ? 223.877 23.630 31.715 1.00 39.55 ? 167 ASP L N 1 ATOM 8672 C CA . ASP F 2 169 ? 224.840 22.636 31.273 1.00 35.40 ? 167 ASP L CA 1 ATOM 8673 C C . ASP F 2 169 ? 225.313 21.806 32.459 1.00 40.34 ? 167 ASP L C 1 ATOM 8674 O O . ASP F 2 169 ? 225.787 22.349 33.458 1.00 54.66 ? 167 ASP L O 1 ATOM 8675 C CB . ASP F 2 169 ? 226.017 23.335 30.597 1.00 33.40 ? 167 ASP L CB 1 ATOM 8676 C CG . ASP F 2 169 ? 226.834 22.407 29.746 1.00 52.28 ? 167 ASP L CG 1 ATOM 8677 O OD1 . ASP F 2 169 ? 226.600 22.383 28.518 1.00 63.18 ? 167 ASP L OD1 1 ATOM 8678 O OD2 . ASP F 2 169 ? 227.707 21.705 30.303 1.00 63.35 -1 167 ASP L OD2 1 ATOM 8679 N N . SER F 2 170 ? 225.162 20.486 32.363 1.00 40.91 ? 168 SER L N 1 ATOM 8680 C CA . SER F 2 170 ? 225.588 19.618 33.456 1.00 47.65 ? 168 SER L CA 1 ATOM 8681 C C . SER F 2 170 ? 227.092 19.688 33.690 1.00 44.34 ? 168 SER L C 1 ATOM 8682 O O . SER F 2 170 ? 227.541 19.457 34.816 1.00 56.46 ? 168 SER L O 1 ATOM 8683 C CB . SER F 2 170 ? 225.173 18.171 33.181 1.00 48.45 ? 168 SER L CB 1 ATOM 8684 O OG . SER F 2 170 ? 225.814 17.675 32.019 1.00 53.64 ? 168 SER L OG 1 ATOM 8685 N N . LYS F 2 171 ? 227.873 20.030 32.664 1.00 44.30 ? 169 LYS L N 1 ATOM 8686 C CA . LYS F 2 171 ? 229.329 20.034 32.785 1.00 51.63 ? 169 LYS L CA 1 ATOM 8687 C C . LYS F 2 171 ? 229.842 21.286 33.498 1.00 52.31 ? 169 LYS L C 1 ATOM 8688 O O . LYS F 2 171 ? 230.638 21.186 34.439 1.00 46.56 ? 169 LYS L O 1 ATOM 8689 C CB . LYS F 2 171 ? 229.960 19.906 31.398 1.00 61.58 ? 169 LYS L CB 1 ATOM 8690 C CG . LYS F 2 171 ? 231.460 20.141 31.362 1.00 77.74 ? 169 LYS L CG 1 ATOM 8691 C CD . LYS F 2 171 ? 231.936 20.308 29.924 1.00 78.27 ? 169 LYS L CD 1 ATOM 8692 C CE . LYS F 2 171 ? 233.440 20.442 29.843 1.00 71.48 ? 169 LYS L CE 1 ATOM 8693 N N . ASP F 2 172 ? 229.414 22.477 33.066 1.00 45.11 ? 170 ASP L N 1 ATOM 8694 C CA . ASP F 2 172 ? 229.937 23.711 33.644 1.00 39.28 ? 170 ASP L CA 1 ATOM 8695 C C . ASP F 2 172 ? 228.864 24.652 34.176 1.00 40.78 ? 170 ASP L C 1 ATOM 8696 O O . ASP F 2 172 ? 229.197 25.763 34.610 1.00 35.30 ? 170 ASP L O 1 ATOM 8697 C CB . ASP F 2 172 ? 230.823 24.452 32.627 1.00 39.41 ? 170 ASP L CB 1 ATOM 8698 C CG . ASP F 2 172 ? 230.080 24.839 31.353 1.00 57.95 ? 170 ASP L CG 1 ATOM 8699 O OD1 . ASP F 2 172 ? 228.873 25.139 31.413 1.00 58.34 ? 170 ASP L OD1 1 ATOM 8700 O OD2 . ASP F 2 172 ? 230.723 24.864 30.280 1.00 70.72 -1 170 ASP L OD2 1 ATOM 8701 N N . SER F 2 173 ? 227.595 24.249 34.136 1.00 27.73 ? 171 SER L N 1 ATOM 8702 C CA . SER F 2 173 ? 226.484 24.984 34.739 1.00 31.42 ? 171 SER L CA 1 ATOM 8703 C C . SER F 2 173 ? 226.173 26.298 34.025 1.00 33.41 ? 171 SER L C 1 ATOM 8704 O O . SER F 2 173 ? 225.618 27.209 34.636 1.00 30.74 ? 171 SER L O 1 ATOM 8705 C CB . SER F 2 173 ? 226.729 25.247 36.228 1.00 30.07 ? 171 SER L CB 1 ATOM 8706 O OG . SER F 2 173 ? 226.728 24.040 36.957 1.00 42.66 ? 171 SER L OG 1 ATOM 8707 N N . THR F 2 174 ? 226.499 26.419 32.739 1.00 32.60 ? 172 THR L N 1 ATOM 8708 C CA . THR F 2 174 ? 226.170 27.627 31.993 1.00 33.52 ? 172 THR L CA 1 ATOM 8709 C C . THR F 2 174 ? 224.940 27.419 31.110 1.00 31.56 ? 172 THR L C 1 ATOM 8710 O O . THR F 2 174 ? 224.421 26.312 30.955 1.00 24.40 ? 172 THR L O 1 ATOM 8711 C CB . THR F 2 174 ? 227.357 28.074 31.137 1.00 38.36 ? 172 THR L CB 1 ATOM 8712 O OG1 . THR F 2 174 ? 227.650 27.057 30.177 1.00 38.17 ? 172 THR L OG1 1 ATOM 8713 C CG2 . THR F 2 174 ? 228.589 28.312 32.007 1.00 33.26 ? 172 THR L CG2 1 ATOM 8714 N N . TYR F 2 175 ? 224.470 28.520 30.534 1.00 29.39 ? 173 TYR L N 1 ATOM 8715 C CA . TYR F 2 175 ? 223.384 28.504 29.569 1.00 27.06 ? 173 TYR L CA 1 ATOM 8716 C C . TYR F 2 175 ? 223.884 28.985 28.216 1.00 37.25 ? 173 TYR L C 1 ATOM 8717 O O . TYR F 2 175 ? 224.896 29.690 28.109 1.00 36.14 ? 173 TYR L O 1 ATOM 8718 C CB . TYR F 2 175 ? 222.219 29.401 29.997 1.00 22.58 ? 173 TYR L CB 1 ATOM 8719 C CG . TYR F 2 175 ? 221.630 29.087 31.333 1.00 29.57 ? 173 TYR L CG 1 ATOM 8720 C CD1 . TYR F 2 175 ? 220.559 28.195 31.456 1.00 27.65 ? 173 TYR L CD1 1 ATOM 8721 C CD2 . TYR F 2 175 ? 222.116 29.701 32.477 1.00 22.49 ? 173 TYR L CD2 1 ATOM 8722 C CE1 . TYR F 2 175 ? 220.012 27.914 32.697 1.00 27.75 ? 173 TYR L CE1 1 ATOM 8723 C CE2 . TYR F 2 175 ? 221.576 29.432 33.717 1.00 30.64 ? 173 TYR L CE2 1 ATOM 8724 C CZ . TYR F 2 175 ? 220.529 28.544 33.830 1.00 33.59 ? 173 TYR L CZ 1 ATOM 8725 O OH . TYR F 2 175 ? 220.007 28.284 35.086 1.00 44.58 ? 173 TYR L OH 1 ATOM 8726 N N . SER F 2 176 ? 223.140 28.608 27.179 1.00 23.31 ? 174 SER L N 1 ATOM 8727 C CA . SER F 2 176 ? 223.331 29.185 25.863 1.00 34.24 ? 174 SER L CA 1 ATOM 8728 C C . SER F 2 176 ? 221.973 29.590 25.311 1.00 31.61 ? 174 SER L C 1 ATOM 8729 O O . SER F 2 176 ? 220.943 29.016 25.674 1.00 37.49 ? 174 SER L O 1 ATOM 8730 C CB . SER F 2 176 ? 224.054 28.212 24.938 1.00 24.27 ? 174 SER L CB 1 ATOM 8731 O OG . SER F 2 176 ? 225.349 27.956 25.440 1.00 37.41 ? 174 SER L OG 1 ATOM 8732 N N . LEU F 2 177 ? 221.981 30.601 24.445 1.00 30.71 ? 175 LEU L N 1 ATOM 8733 C CA . LEU F 2 177 ? 220.757 31.186 23.922 1.00 38.34 ? 175 LEU L CA 1 ATOM 8734 C C . LEU F 2 177 ? 220.948 31.486 22.447 1.00 40.47 ? 175 LEU L C 1 ATOM 8735 O O . LEU F 2 177 ? 222.010 31.956 22.031 1.00 39.06 ? 175 LEU L O 1 ATOM 8736 C CB . LEU F 2 177 ? 220.377 32.469 24.683 1.00 48.42 ? 175 LEU L CB 1 ATOM 8737 C CG . LEU F 2 177 ? 219.102 33.249 24.336 1.00 49.73 ? 175 LEU L CG 1 ATOM 8738 C CD1 . LEU F 2 177 ? 218.642 34.023 25.547 1.00 23.97 ? 175 LEU L CD1 1 ATOM 8739 C CD2 . LEU F 2 177 ? 219.316 34.212 23.183 1.00 47.79 ? 175 LEU L CD2 1 ATOM 8740 N N . SER F 2 178 ? 219.917 31.207 21.662 1.00 41.35 ? 176 SER L N 1 ATOM 8741 C CA . SER F 2 178 ? 219.889 31.561 20.255 1.00 45.30 ? 176 SER L CA 1 ATOM 8742 C C . SER F 2 178 ? 218.645 32.387 19.991 1.00 39.72 ? 176 SER L C 1 ATOM 8743 O O . SER F 2 178 ? 217.551 32.029 20.439 1.00 45.61 ? 176 SER L O 1 ATOM 8744 C CB . SER F 2 178 ? 219.887 30.322 19.367 1.00 45.97 ? 176 SER L CB 1 ATOM 8745 O OG . SER F 2 178 ? 218.659 29.645 19.503 1.00 63.89 ? 176 SER L OG 1 ATOM 8746 N N . SER F 2 179 ? 218.819 33.493 19.282 1.00 39.93 ? 177 SER L N 1 ATOM 8747 C CA . SER F 2 179 ? 217.708 34.306 18.818 1.00 39.28 ? 177 SER L CA 1 ATOM 8748 C C . SER F 2 179 ? 217.702 34.300 17.301 1.00 39.39 ? 177 SER L C 1 ATOM 8749 O O . SER F 2 179 ? 218.754 34.412 16.666 1.00 49.33 ? 177 SER L O 1 ATOM 8750 C CB . SER F 2 179 ? 217.808 35.736 19.339 1.00 29.90 ? 177 SER L CB 1 ATOM 8751 O OG . SER F 2 179 ? 216.646 36.467 18.987 1.00 42.21 ? 177 SER L OG 1 ATOM 8752 N N . THR F 2 180 ? 216.523 34.146 16.722 1.00 40.27 ? 178 THR L N 1 ATOM 8753 C CA . THR F 2 180 ? 216.375 34.099 15.275 1.00 41.43 ? 178 THR L CA 1 ATOM 8754 C C . THR F 2 180 ? 215.463 35.237 14.829 1.00 50.46 ? 178 THR L C 1 ATOM 8755 O O . THR F 2 180 ? 214.283 35.274 15.187 1.00 56.45 ? 178 THR L O 1 ATOM 8756 C CB . THR F 2 180 ? 215.832 32.745 14.833 1.00 37.20 ? 178 THR L CB 1 ATOM 8757 O OG1 . THR F 2 180 ? 216.781 31.728 15.177 1.00 49.28 ? 178 THR L OG1 1 ATOM 8758 C CG2 . THR F 2 180 ? 215.611 32.732 13.332 1.00 38.53 ? 178 THR L CG2 1 ATOM 8759 N N . LEU F 2 181 ? 216.018 36.167 14.063 1.00 44.08 ? 179 LEU L N 1 ATOM 8760 C CA . LEU F 2 181 ? 215.234 37.191 13.395 1.00 42.14 ? 179 LEU L CA 1 ATOM 8761 C C . LEU F 2 181 ? 214.793 36.639 12.046 1.00 40.29 ? 179 LEU L C 1 ATOM 8762 O O . LEU F 2 181 ? 215.629 36.197 11.251 1.00 40.49 ? 179 LEU L O 1 ATOM 8763 C CB . LEU F 2 181 ? 216.051 38.475 13.216 1.00 38.18 ? 179 LEU L CB 1 ATOM 8764 C CG . LEU F 2 181 ? 215.360 39.653 12.513 1.00 42.77 ? 179 LEU L CG 1 ATOM 8765 C CD1 . LEU F 2 181 ? 214.422 40.400 13.453 1.00 41.57 ? 179 LEU L CD1 1 ATOM 8766 C CD2 . LEU F 2 181 ? 216.381 40.605 11.907 1.00 42.24 ? 179 LEU L CD2 1 ATOM 8767 N N . THR F 2 182 ? 213.486 36.656 11.790 1.00 46.71 ? 180 THR L N 1 ATOM 8768 C CA . THR F 2 182 ? 212.915 36.041 10.597 1.00 53.81 ? 180 THR L CA 1 ATOM 8769 C C . THR F 2 182 ? 212.319 37.115 9.696 1.00 51.20 ? 180 THR L C 1 ATOM 8770 O O . THR F 2 182 ? 211.476 37.905 10.136 1.00 53.98 ? 180 THR L O 1 ATOM 8771 C CB . THR F 2 182 ? 211.857 35.001 10.969 1.00 59.29 ? 180 THR L CB 1 ATOM 8772 O OG1 . THR F 2 182 ? 212.438 34.022 11.842 1.00 68.76 ? 180 THR L OG1 1 ATOM 8773 C CG2 . THR F 2 182 ? 211.343 34.305 9.718 1.00 55.58 ? 180 THR L CG2 1 ATOM 8774 N N . LEU F 2 183 ? 212.761 37.136 8.438 1.00 47.87 ? 181 LEU L N 1 ATOM 8775 C CA . LEU F 2 183 ? 212.325 38.109 7.444 1.00 45.19 ? 181 LEU L CA 1 ATOM 8776 C C . LEU F 2 183 ? 212.064 37.392 6.131 1.00 51.55 ? 181 LEU L C 1 ATOM 8777 O O . LEU F 2 183 ? 212.647 36.340 5.857 1.00 51.11 ? 181 LEU L O 1 ATOM 8778 C CB . LEU F 2 183 ? 213.375 39.204 7.208 1.00 43.64 ? 181 LEU L CB 1 ATOM 8779 C CG . LEU F 2 183 ? 213.881 39.936 8.449 1.00 61.52 ? 181 LEU L CG 1 ATOM 8780 C CD1 . LEU F 2 183 ? 215.228 40.584 8.182 1.00 55.93 ? 181 LEU L CD1 1 ATOM 8781 C CD2 . LEU F 2 183 ? 212.865 40.963 8.903 1.00 59.94 ? 181 LEU L CD2 1 ATOM 8782 N N . SER F 2 184 ? 211.179 37.969 5.318 1.00 54.31 ? 182 SER L N 1 ATOM 8783 C CA . SER F 2 184 ? 211.039 37.510 3.945 1.00 57.77 ? 182 SER L CA 1 ATOM 8784 C C . SER F 2 184 ? 212.297 37.867 3.158 1.00 62.32 ? 182 SER L C 1 ATOM 8785 O O . SER F 2 184 ? 213.057 38.763 3.538 1.00 59.42 ? 182 SER L O 1 ATOM 8786 C CB . SER F 2 184 ? 209.813 38.140 3.285 1.00 63.54 ? 182 SER L CB 1 ATOM 8787 O OG . SER F 2 184 ? 209.996 39.536 3.108 1.00 62.80 ? 182 SER L OG 1 ATOM 8788 N N . LYS F 2 185 ? 212.525 37.152 2.050 1.00 51.29 ? 183 LYS L N 1 ATOM 8789 C CA . LYS F 2 185 ? 213.676 37.492 1.218 1.00 62.85 ? 183 LYS L CA 1 ATOM 8790 C C . LYS F 2 185 ? 213.571 38.927 0.720 1.00 68.39 ? 183 LYS L C 1 ATOM 8791 O O . LYS F 2 185 ? 214.566 39.663 0.704 1.00 60.09 ? 183 LYS L O 1 ATOM 8792 C CB . LYS F 2 185 ? 213.813 36.524 0.042 1.00 59.36 ? 183 LYS L CB 1 ATOM 8793 C CG . LYS F 2 185 ? 215.098 36.736 -0.776 1.00 59.36 ? 183 LYS L CG 1 ATOM 8794 C CD . LYS F 2 185 ? 215.052 35.990 -2.104 1.00 68.36 ? 183 LYS L CD 1 ATOM 8795 C CE . LYS F 2 185 ? 216.227 36.353 -3.001 1.00 72.12 ? 183 LYS L CE 1 ATOM 8796 N N . ALA F 2 186 ? 212.366 39.351 0.333 1.00 75.14 ? 184 ALA L N 1 ATOM 8797 C CA . ALA F 2 186 ? 212.160 40.735 -0.077 1.00 74.87 ? 184 ALA L CA 1 ATOM 8798 C C . ALA F 2 186 ? 212.604 41.700 1.016 1.00 76.44 ? 184 ALA L C 1 ATOM 8799 O O . ALA F 2 186 ? 213.468 42.557 0.792 1.00 66.92 ? 184 ALA L O 1 ATOM 8800 C CB . ALA F 2 186 ? 210.691 40.960 -0.441 1.00 71.85 ? 184 ALA L CB 1 ATOM 8801 N N . ASP F 2 187 ? 212.040 41.557 2.220 1.00 80.82 ? 185 ASP L N 1 ATOM 8802 C CA . ASP F 2 187 ? 212.368 42.486 3.298 1.00 77.61 ? 185 ASP L CA 1 ATOM 8803 C C . ASP F 2 187 ? 213.854 42.457 3.634 1.00 72.40 ? 185 ASP L C 1 ATOM 8804 O O . ASP F 2 187 ? 214.426 43.493 3.999 1.00 69.35 ? 185 ASP L O 1 ATOM 8805 C CB . ASP F 2 187 ? 211.529 42.175 4.540 1.00 68.47 ? 185 ASP L CB 1 ATOM 8806 N N . TYR F 2 188 ? 214.500 41.293 3.479 1.00 66.75 ? 186 TYR L N 1 ATOM 8807 C CA . TYR F 2 188 ? 215.918 41.159 3.810 1.00 61.91 ? 186 TYR L CA 1 ATOM 8808 C C . TYR F 2 188 ? 216.820 41.843 2.785 1.00 65.99 ? 186 TYR L C 1 ATOM 8809 O O . TYR F 2 188 ? 217.886 42.354 3.145 1.00 69.10 ? 186 TYR L O 1 ATOM 8810 C CB . TYR F 2 188 ? 216.283 39.679 3.940 1.00 55.16 ? 186 TYR L CB 1 ATOM 8811 C CG . TYR F 2 188 ? 217.766 39.396 4.064 1.00 48.45 ? 186 TYR L CG 1 ATOM 8812 C CD1 . TYR F 2 188 ? 218.427 39.560 5.270 1.00 50.17 ? 186 TYR L CD1 1 ATOM 8813 C CD2 . TYR F 2 188 ? 218.499 38.947 2.979 1.00 48.26 ? 186 TYR L CD2 1 ATOM 8814 C CE1 . TYR F 2 188 ? 219.784 39.296 5.386 1.00 50.18 ? 186 TYR L CE1 1 ATOM 8815 C CE2 . TYR F 2 188 ? 219.851 38.679 3.088 1.00 49.57 ? 186 TYR L CE2 1 ATOM 8816 C CZ . TYR F 2 188 ? 220.489 38.858 4.291 1.00 49.65 ? 186 TYR L CZ 1 ATOM 8817 O OH . TYR F 2 188 ? 221.835 38.590 4.393 1.00 51.34 ? 186 TYR L OH 1 ATOM 8818 N N . GLU F 2 189 ? 216.424 41.869 1.514 1.00 67.17 ? 187 GLU L N 1 ATOM 8819 C CA . GLU F 2 189 ? 217.230 42.553 0.508 1.00 71.58 ? 187 GLU L CA 1 ATOM 8820 C C . GLU F 2 189 ? 217.055 44.069 0.528 1.00 75.57 ? 187 GLU L C 1 ATOM 8821 O O . GLU F 2 189 ? 217.781 44.764 -0.191 1.00 76.74 ? 187 GLU L O 1 ATOM 8822 C CB . GLU F 2 189 ? 216.903 42.025 -0.894 1.00 74.46 ? 187 GLU L CB 1 ATOM 8823 C CG . GLU F 2 189 ? 217.119 40.526 -1.089 1.00 85.25 ? 187 GLU L CG 1 ATOM 8824 C CD . GLU F 2 189 ? 218.580 40.114 -1.017 1.00 101.79 ? 187 GLU L CD 1 ATOM 8825 O OE1 . GLU F 2 189 ? 218.877 38.930 -1.290 1.00 107.73 ? 187 GLU L OE1 1 ATOM 8826 O OE2 . GLU F 2 189 ? 219.431 40.970 -0.690 1.00 104.96 -1 187 GLU L OE2 1 ATOM 8827 N N . LYS F 2 190 ? 216.123 44.600 1.325 1.00 74.97 ? 188 LYS L N 1 ATOM 8828 C CA . LYS F 2 190 ? 215.890 46.039 1.375 1.00 70.60 ? 188 LYS L CA 1 ATOM 8829 C C . LYS F 2 190 ? 216.847 46.776 2.309 1.00 72.65 ? 188 LYS L C 1 ATOM 8830 O O . LYS F 2 190 ? 216.872 48.011 2.285 1.00 86.07 ? 188 LYS L O 1 ATOM 8831 C CB . LYS F 2 190 ? 214.452 46.337 1.818 1.00 72.85 ? 188 LYS L CB 1 ATOM 8832 C CG . LYS F 2 190 ? 213.353 45.821 0.896 1.00 84.52 ? 188 LYS L CG 1 ATOM 8833 C CD . LYS F 2 190 ? 211.993 45.926 1.582 1.00 89.93 ? 188 LYS L CD 1 ATOM 8834 C CE . LYS F 2 190 ? 210.893 45.248 0.776 1.00 96.84 ? 188 LYS L CE 1 ATOM 8835 N NZ . LYS F 2 190 ? 209.651 45.044 1.586 1.00 101.03 1 188 LYS L NZ 1 ATOM 8836 N N . HIS F 2 191 ? 217.625 46.063 3.124 1.00 69.59 ? 189 HIS L N 1 ATOM 8837 C CA . HIS F 2 191 ? 218.451 46.676 4.156 1.00 60.64 ? 189 HIS L CA 1 ATOM 8838 C C . HIS F 2 191 ? 219.849 46.078 4.128 1.00 57.79 ? 189 HIS L C 1 ATOM 8839 O O . HIS F 2 191 ? 220.064 44.976 3.617 1.00 64.52 ? 189 HIS L O 1 ATOM 8840 C CB . HIS F 2 191 ? 217.834 46.491 5.543 1.00 52.08 ? 189 HIS L CB 1 ATOM 8841 C CG . HIS F 2 191 ? 216.420 46.966 5.636 1.00 72.51 ? 189 HIS L CG 1 ATOM 8842 N ND1 . HIS F 2 191 ? 215.342 46.107 5.597 1.00 84.53 ? 189 HIS L ND1 1 ATOM 8843 C CD2 . HIS F 2 191 ? 215.904 48.213 5.743 1.00 70.50 ? 189 HIS L CD2 1 ATOM 8844 C CE1 . HIS F 2 191 ? 214.224 46.804 5.689 1.00 80.66 ? 189 HIS L CE1 1 ATOM 8845 N NE2 . HIS F 2 191 ? 214.537 48.084 5.779 1.00 79.65 ? 189 HIS L NE2 1 ATOM 8846 N N . LYS F 2 192 ? 220.801 46.810 4.711 1.00 53.92 ? 190 LYS L N 1 ATOM 8847 C CA . LYS F 2 192 ? 222.222 46.498 4.582 1.00 56.36 ? 190 LYS L CA 1 ATOM 8848 C C . LYS F 2 192 ? 222.859 45.981 5.864 1.00 55.82 ? 190 LYS L C 1 ATOM 8849 O O . LYS F 2 192 ? 223.585 44.982 5.825 1.00 54.82 ? 190 LYS L O 1 ATOM 8850 C CB . LYS F 2 192 ? 222.980 47.743 4.090 1.00 53.03 ? 190 LYS L CB 1 ATOM 8851 C CG . LYS F 2 192 ? 224.485 47.545 3.885 1.00 60.79 ? 190 LYS L CG 1 ATOM 8852 C CD . LYS F 2 192 ? 224.793 46.576 2.742 1.00 62.32 ? 190 LYS L CD 1 ATOM 8853 N N . VAL F 2 193 ? 222.604 46.622 7.003 1.00 47.74 ? 191 VAL L N 1 ATOM 8854 C CA . VAL F 2 193 ? 223.299 46.319 8.252 1.00 51.96 ? 191 VAL L CA 1 ATOM 8855 C C . VAL F 2 193 ? 222.347 45.597 9.197 1.00 50.98 ? 191 VAL L C 1 ATOM 8856 O O . VAL F 2 193 ? 221.334 46.166 9.625 1.00 52.90 ? 191 VAL L O 1 ATOM 8857 C CB . VAL F 2 193 ? 223.860 47.587 8.914 1.00 49.53 ? 191 VAL L CB 1 ATOM 8858 C CG1 . VAL F 2 193 ? 224.455 47.248 10.279 1.00 47.14 ? 191 VAL L CG1 1 ATOM 8859 C CG2 . VAL F 2 193 ? 224.906 48.229 8.022 1.00 46.36 ? 191 VAL L CG2 1 ATOM 8860 N N . TYR F 2 194 ? 222.689 44.356 9.538 1.00 46.53 ? 192 TYR L N 1 ATOM 8861 C CA . TYR F 2 194 ? 221.959 43.556 10.515 1.00 45.33 ? 192 TYR L CA 1 ATOM 8862 C C . TYR F 2 194 ? 222.834 43.370 11.739 1.00 36.69 ? 192 TYR L C 1 ATOM 8863 O O . TYR F 2 194 ? 223.994 42.966 11.617 1.00 44.83 ? 192 TYR L O 1 ATOM 8864 C CB . TYR F 2 194 ? 221.561 42.197 9.938 1.00 37.98 ? 192 TYR L CB 1 ATOM 8865 C CG . TYR F 2 194 ? 220.508 42.327 8.874 1.00 42.28 ? 192 TYR L CG 1 ATOM 8866 C CD1 . TYR F 2 194 ? 220.851 42.559 7.554 1.00 42.04 ? 192 TYR L CD1 1 ATOM 8867 C CD2 . TYR F 2 194 ? 219.163 42.253 9.200 1.00 54.65 ? 192 TYR L CD2 1 ATOM 8868 C CE1 . TYR F 2 194 ? 219.877 42.698 6.580 1.00 56.26 ? 192 TYR L CE1 1 ATOM 8869 C CE2 . TYR F 2 194 ? 218.186 42.389 8.242 1.00 49.36 ? 192 TYR L CE2 1 ATOM 8870 C CZ . TYR F 2 194 ? 218.548 42.612 6.935 1.00 53.96 ? 192 TYR L CZ 1 ATOM 8871 O OH . TYR F 2 194 ? 217.573 42.749 5.982 1.00 57.08 ? 192 TYR L OH 1 ATOM 8872 N N . ALA F 2 195 ? 222.278 43.665 12.912 1.00 41.41 ? 193 ALA L N 1 ATOM 8873 C CA . ALA F 2 195 ? 223.046 43.712 14.146 1.00 43.31 ? 193 ALA L CA 1 ATOM 8874 C C . ALA F 2 195 ? 222.225 43.138 15.291 1.00 51.27 ? 193 ALA L C 1 ATOM 8875 O O . ALA F 2 195 ? 221.011 43.346 15.372 1.00 47.88 ? 193 ALA L O 1 ATOM 8876 C CB . ALA F 2 195 ? 223.468 45.148 14.476 1.00 35.59 ? 193 ALA L CB 1 ATOM 8877 N N . CYS F 2 196 ? 222.901 42.412 16.180 1.00 47.38 ? 194 CYS L N 1 ATOM 8878 C CA A CYS F 2 196 ? 222.304 41.864 17.392 0.65 45.81 ? 194 CYS L CA 1 ATOM 8879 C CA B CYS F 2 196 ? 222.272 41.908 17.396 0.35 46.23 ? 194 CYS L CA 1 ATOM 8880 C C . CYS F 2 196 ? 223.040 42.440 18.595 1.00 51.15 ? 194 CYS L C 1 ATOM 8881 O O . CYS F 2 196 ? 224.254 42.247 18.717 1.00 54.20 ? 194 CYS L O 1 ATOM 8882 C CB A CYS F 2 196 ? 222.392 40.338 17.359 0.65 43.14 ? 194 CYS L CB 1 ATOM 8883 C CB B CYS F 2 196 ? 222.163 40.372 17.424 0.35 44.59 ? 194 CYS L CB 1 ATOM 8884 S SG A CYS F 2 196 ? 222.182 39.471 18.903 0.65 62.22 ? 194 CYS L SG 1 ATOM 8885 S SG B CYS F 2 196 ? 223.660 39.338 17.472 0.35 35.38 ? 194 CYS L SG 1 ATOM 8886 N N . GLU F 2 197 ? 222.323 43.150 19.464 1.00 48.80 ? 195 GLU L N 1 ATOM 8887 C CA . GLU F 2 197 ? 222.900 43.777 20.646 1.00 49.29 ? 195 GLU L CA 1 ATOM 8888 C C . GLU F 2 197 ? 222.550 42.938 21.867 1.00 43.18 ? 195 GLU L C 1 ATOM 8889 O O . GLU F 2 197 ? 221.379 42.603 22.080 1.00 46.51 ? 195 GLU L O 1 ATOM 8890 C CB . GLU F 2 197 ? 222.392 45.211 20.814 1.00 54.81 ? 195 GLU L CB 1 ATOM 8891 C CG . GLU F 2 197 ? 222.992 45.951 22.008 1.00 83.45 ? 195 GLU L CG 1 ATOM 8892 C CD . GLU F 2 197 ? 222.170 47.163 22.453 1.00 100.52 ? 195 GLU L CD 1 ATOM 8893 O OE1 . GLU F 2 197 ? 220.971 47.250 22.101 1.00 101.06 ? 195 GLU L OE1 1 ATOM 8894 O OE2 . GLU F 2 197 ? 222.729 48.031 23.162 1.00 106.25 -1 195 GLU L OE2 1 ATOM 8895 N N . VAL F 2 198 ? 223.563 42.598 22.663 1.00 40.24 ? 196 VAL L N 1 ATOM 8896 C CA . VAL F 2 198 ? 223.424 41.665 23.776 1.00 34.89 ? 196 VAL L CA 1 ATOM 8897 C C . VAL F 2 198 ? 223.746 42.381 25.080 1.00 36.95 ? 196 VAL L C 1 ATOM 8898 O O . VAL F 2 198 ? 224.795 43.024 25.200 1.00 37.59 ? 196 VAL L O 1 ATOM 8899 C CB . VAL F 2 198 ? 224.336 40.443 23.600 1.00 41.38 ? 196 VAL L CB 1 ATOM 8900 C CG1 . VAL F 2 198 ? 224.250 39.546 24.832 1.00 34.51 ? 196 VAL L CG1 1 ATOM 8901 C CG2 . VAL F 2 198 ? 223.956 39.692 22.333 1.00 42.44 ? 196 VAL L CG2 1 ATOM 8902 N N . THR F 2 199 ? 222.855 42.250 26.061 1.00 44.93 ? 197 THR L N 1 ATOM 8903 C CA . THR F 2 199 ? 223.040 42.832 27.385 1.00 44.80 ? 197 THR L CA 1 ATOM 8904 C C . THR F 2 199 ? 223.100 41.707 28.408 1.00 39.45 ? 197 THR L C 1 ATOM 8905 O O . THR F 2 199 ? 222.208 40.853 28.454 1.00 48.44 ? 197 THR L O 1 ATOM 8906 C CB . THR F 2 199 ? 221.911 43.811 27.722 1.00 51.46 ? 197 THR L CB 1 ATOM 8907 O OG1 . THR F 2 199 ? 221.799 44.790 26.681 1.00 59.69 ? 197 THR L OG1 1 ATOM 8908 C CG2 . THR F 2 199 ? 222.193 44.522 29.031 1.00 44.60 ? 197 THR L CG2 1 ATOM 8909 N N . HIS F 2 200 ? 224.150 41.703 29.220 1.00 40.78 ? 198 HIS L N 1 ATOM 8910 C CA . HIS F 2 200 ? 224.331 40.664 30.225 1.00 42.37 ? 198 HIS L CA 1 ATOM 8911 C C . HIS F 2 200 ? 225.243 41.215 31.307 1.00 37.86 ? 198 HIS L C 1 ATOM 8912 O O . HIS F 2 200 ? 226.157 41.993 31.015 1.00 33.82 ? 198 HIS L O 1 ATOM 8913 C CB . HIS F 2 200 ? 224.924 39.390 29.613 1.00 34.98 ? 198 HIS L CB 1 ATOM 8914 C CG . HIS F 2 200 ? 224.987 38.230 30.557 1.00 31.44 ? 198 HIS L CG 1 ATOM 8915 N ND1 . HIS F 2 200 ? 226.077 37.983 31.366 1.00 30.71 ? 198 HIS L ND1 1 ATOM 8916 C CD2 . HIS F 2 200 ? 224.099 37.242 30.812 1.00 34.16 ? 198 HIS L CD2 1 ATOM 8917 C CE1 . HIS F 2 200 ? 225.851 36.899 32.083 1.00 29.58 ? 198 HIS L CE1 1 ATOM 8918 N NE2 . HIS F 2 200 ? 224.652 36.436 31.776 1.00 28.99 ? 198 HIS L NE2 1 ATOM 8919 N N . GLN F 2 201 ? 224.999 40.813 32.553 1.00 34.81 ? 199 GLN L N 1 ATOM 8920 C CA . GLN F 2 201 ? 225.789 41.402 33.625 1.00 39.51 ? 199 GLN L CA 1 ATOM 8921 C C . GLN F 2 201 ? 227.270 41.049 33.537 1.00 45.61 ? 199 GLN L C 1 ATOM 8922 O O . GLN F 2 201 ? 228.094 41.767 34.107 1.00 45.46 ? 199 GLN L O 1 ATOM 8923 C CB . GLN F 2 201 ? 225.243 40.974 34.965 1.00 35.78 ? 199 GLN L CB 1 ATOM 8924 C CG . GLN F 2 201 ? 225.339 39.508 35.202 1.00 45.19 ? 199 GLN L CG 1 ATOM 8925 C CD . GLN F 2 201 ? 224.812 39.162 36.560 1.00 45.06 ? 199 GLN L CD 1 ATOM 8926 O OE1 . GLN F 2 201 ? 223.692 38.674 36.690 1.00 47.34 ? 199 GLN L OE1 1 ATOM 8927 N NE2 . GLN F 2 201 ? 225.599 39.457 37.594 1.00 40.97 ? 199 GLN L NE2 1 ATOM 8928 N N . GLY F 2 202 ? 227.633 39.967 32.848 1.00 39.06 ? 200 GLY L N 1 ATOM 8929 C CA . GLY F 2 202 ? 229.046 39.668 32.698 1.00 34.45 ? 200 GLY L CA 1 ATOM 8930 C C . GLY F 2 202 ? 229.794 40.599 31.765 1.00 44.07 ? 200 GLY L C 1 ATOM 8931 O O . GLY F 2 202 ? 231.017 40.467 31.646 1.00 45.95 ? 200 GLY L O 1 ATOM 8932 N N . LEU F 2 203 ? 229.096 41.526 31.106 1.00 55.07 ? 201 LEU L N 1 ATOM 8933 C CA . LEU F 2 203 ? 229.686 42.452 30.145 1.00 50.12 ? 201 LEU L CA 1 ATOM 8934 C C . LEU F 2 203 ? 229.719 43.856 30.728 1.00 61.62 ? 201 LEU L C 1 ATOM 8935 O O . LEU F 2 203 ? 228.709 44.332 31.261 1.00 63.37 ? 201 LEU L O 1 ATOM 8936 C CB . LEU F 2 203 ? 228.897 42.462 28.838 1.00 41.19 ? 201 LEU L CB 1 ATOM 8937 C CG . LEU F 2 203 ? 228.788 41.120 28.114 1.00 47.78 ? 201 LEU L CG 1 ATOM 8938 C CD1 . LEU F 2 203 ? 227.716 41.186 27.034 1.00 40.27 ? 201 LEU L CD1 1 ATOM 8939 C CD2 . LEU F 2 203 ? 230.125 40.737 27.522 1.00 39.47 ? 201 LEU L CD2 1 ATOM 8940 N N . ARG F 2 204 ? 230.879 44.514 30.610 1.00 62.22 ? 202 ARG L N 1 ATOM 8941 C CA . ARG F 2 204 ? 231.025 45.884 31.099 1.00 65.16 ? 202 ARG L CA 1 ATOM 8942 C C . ARG F 2 204 ? 230.040 46.828 30.414 1.00 80.69 ? 202 ARG L C 1 ATOM 8943 O O . ARG F 2 204 ? 229.430 47.685 31.067 1.00 89.58 ? 202 ARG L O 1 ATOM 8944 C CB . ARG F 2 204 ? 232.464 46.361 30.887 1.00 51.38 ? 202 ARG L CB 1 ATOM 8945 N N . SER F 2 205 ? 229.877 46.687 29.103 1.00 77.88 ? 203 SER L N 1 ATOM 8946 C CA . SER F 2 205 ? 228.892 47.418 28.320 1.00 81.17 ? 203 SER L CA 1 ATOM 8947 C C . SER F 2 205 ? 228.335 46.476 27.269 1.00 67.35 ? 203 SER L C 1 ATOM 8948 O O . SER F 2 205 ? 228.987 45.481 26.920 1.00 64.93 ? 203 SER L O 1 ATOM 8949 C CB . SER F 2 205 ? 229.501 48.667 27.656 1.00 86.24 ? 203 SER L CB 1 ATOM 8950 O OG . SER F 2 205 ? 230.675 48.344 26.933 1.00 90.25 ? 203 SER L OG 1 ATOM 8951 N N . PRO F 2 206 ? 227.128 46.738 26.755 1.00 54.06 ? 204 PRO L N 1 ATOM 8952 C CA . PRO F 2 206 ? 226.514 45.803 25.809 1.00 47.23 ? 204 PRO L CA 1 ATOM 8953 C C . PRO F 2 206 ? 227.376 45.576 24.573 1.00 48.70 ? 204 PRO L C 1 ATOM 8954 O O . PRO F 2 206 ? 228.168 46.428 24.167 1.00 62.00 ? 204 PRO L O 1 ATOM 8955 C CB . PRO F 2 206 ? 225.186 46.480 25.451 1.00 52.32 ? 204 PRO L CB 1 ATOM 8956 C CG . PRO F 2 206 ? 224.876 47.320 26.620 1.00 54.03 ? 204 PRO L CG 1 ATOM 8957 C CD . PRO F 2 206 ? 226.201 47.829 27.109 1.00 51.96 ? 204 PRO L CD 1 ATOM 8958 N N . VAL F 2 207 ? 227.206 44.399 23.982 1.00 41.68 ? 205 VAL L N 1 ATOM 8959 C CA . VAL F 2 207 ? 228.033 43.918 22.885 1.00 49.20 ? 205 VAL L CA 1 ATOM 8960 C C . VAL F 2 207 ? 227.160 43.821 21.645 1.00 44.92 ? 205 VAL L C 1 ATOM 8961 O O . VAL F 2 207 ? 226.043 43.292 21.701 1.00 54.65 ? 205 VAL L O 1 ATOM 8962 C CB . VAL F 2 207 ? 228.667 42.555 23.224 1.00 51.94 ? 205 VAL L CB 1 ATOM 8963 C CG1 . VAL F 2 207 ? 229.321 41.939 22.006 1.00 43.19 ? 205 VAL L CG1 1 ATOM 8964 C CG2 . VAL F 2 207 ? 229.675 42.715 24.342 1.00 56.75 ? 205 VAL L CG2 1 ATOM 8965 N N . THR F 2 208 ? 227.670 44.327 20.530 1.00 48.55 ? 206 THR L N 1 ATOM 8966 C CA . THR F 2 208 ? 226.954 44.340 19.263 1.00 53.70 ? 206 THR L CA 1 ATOM 8967 C C . THR F 2 208 ? 227.777 43.572 18.240 1.00 51.10 ? 206 THR L C 1 ATOM 8968 O O . THR F 2 208 ? 228.926 43.933 17.968 1.00 60.41 ? 206 THR L O 1 ATOM 8969 C CB . THR F 2 208 ? 226.699 45.775 18.789 1.00 65.48 ? 206 THR L CB 1 ATOM 8970 O OG1 . THR F 2 208 ? 225.777 46.423 19.677 1.00 73.41 ? 206 THR L OG1 1 ATOM 8971 C CG2 . THR F 2 208 ? 226.129 45.782 17.378 1.00 71.05 ? 206 THR L CG2 1 ATOM 8972 N N . LYS F 2 209 ? 227.206 42.496 17.706 1.00 49.59 ? 207 LYS L N 1 ATOM 8973 C CA . LYS F 2 209 ? 227.746 41.821 16.536 1.00 43.30 ? 207 LYS L CA 1 ATOM 8974 C C . LYS F 2 209 ? 226.861 42.141 15.340 1.00 47.59 ? 207 LYS L C 1 ATOM 8975 O O . LYS F 2 209 ? 225.631 42.117 15.445 1.00 58.33 ? 207 LYS L O 1 ATOM 8976 C CB . LYS F 2 209 ? 227.824 40.309 16.745 1.00 45.52 ? 207 LYS L CB 1 ATOM 8977 C CG . LYS F 2 209 ? 228.842 39.877 17.776 1.00 53.61 ? 207 LYS L CG 1 ATOM 8978 C CD . LYS F 2 209 ? 230.240 40.319 17.393 1.00 59.16 ? 207 LYS L CD 1 ATOM 8979 C CE . LYS F 2 209 ? 231.213 40.102 18.544 1.00 70.62 ? 207 LYS L CE 1 ATOM 8980 N NZ . LYS F 2 209 ? 232.624 40.307 18.120 1.00 78.78 1 207 LYS L NZ 1 ATOM 8981 N N . SER F 2 210 ? 227.488 42.450 14.207 1.00 44.43 ? 208 SER L N 1 ATOM 8982 C CA . SER F 2 210 ? 226.749 42.874 13.028 1.00 49.70 ? 208 SER L CA 1 ATOM 8983 C C . SER F 2 210 ? 227.451 42.373 11.778 1.00 47.10 ? 208 SER L C 1 ATOM 8984 O O . SER F 2 210 ? 228.565 41.846 11.827 1.00 47.54 ? 208 SER L O 1 ATOM 8985 C CB . SER F 2 210 ? 226.603 44.399 12.960 1.00 41.64 ? 208 SER L CB 1 ATOM 8986 O OG . SER F 2 210 ? 227.875 45.025 12.961 1.00 50.84 ? 208 SER L OG 1 ATOM 8987 N N . PHE F 2 211 ? 226.767 42.538 10.651 1.00 43.14 ? 209 PHE L N 1 ATOM 8988 C CA . PHE F 2 211 ? 227.348 42.270 9.346 1.00 49.02 ? 209 PHE L CA 1 ATOM 8989 C C . PHE F 2 211 ? 226.624 43.126 8.314 1.00 53.34 ? 209 PHE L C 1 ATOM 8990 O O . PHE F 2 211 ? 225.497 43.581 8.536 1.00 54.31 ? 209 PHE L O 1 ATOM 8991 C CB . PHE F 2 211 ? 227.273 40.781 8.992 1.00 40.72 ? 209 PHE L CB 1 ATOM 8992 C CG . PHE F 2 211 ? 225.880 40.275 8.803 1.00 45.76 ? 209 PHE L CG 1 ATOM 8993 C CD1 . PHE F 2 211 ? 225.172 39.749 9.867 1.00 47.72 ? 209 PHE L CD1 1 ATOM 8994 C CD2 . PHE F 2 211 ? 225.275 40.323 7.559 1.00 42.47 ? 209 PHE L CD2 1 ATOM 8995 C CE1 . PHE F 2 211 ? 223.880 39.283 9.696 1.00 51.49 ? 209 PHE L CE1 1 ATOM 8996 C CE2 . PHE F 2 211 ? 223.981 39.860 7.380 1.00 46.97 ? 209 PHE L CE2 1 ATOM 8997 C CZ . PHE F 2 211 ? 223.283 39.335 8.449 1.00 48.95 ? 209 PHE L CZ 1 ATOM 8998 N N . ASN F 2 212 ? 227.301 43.361 7.195 1.00 52.04 ? 210 ASN L N 1 ATOM 8999 C CA . ASN F 2 212 ? 226.712 44.025 6.041 1.00 51.56 ? 210 ASN L CA 1 ATOM 9000 C C . ASN F 2 212 ? 226.306 42.955 5.036 1.00 56.12 ? 210 ASN L C 1 ATOM 9001 O O . ASN F 2 212 ? 227.122 42.098 4.682 1.00 61.79 ? 210 ASN L O 1 ATOM 9002 C CB . ASN F 2 212 ? 227.696 45.012 5.405 1.00 56.13 ? 210 ASN L CB 1 ATOM 9003 C CG . ASN F 2 212 ? 228.193 46.069 6.385 1.00 71.47 ? 210 ASN L CG 1 ATOM 9004 O OD1 . ASN F 2 212 ? 227.486 46.458 7.313 1.00 82.28 ? 210 ASN L OD1 1 ATOM 9005 N ND2 . ASN F 2 212 ? 229.416 46.540 6.176 1.00 79.57 ? 210 ASN L ND2 1 ATOM 9006 N N . ARG F 2 213 ? 225.047 42.985 4.598 1.00 54.96 ? 211 ARG L N 1 ATOM 9007 C CA . ARG F 2 213 ? 224.575 41.983 3.648 1.00 58.84 ? 211 ARG L CA 1 ATOM 9008 C C . ARG F 2 213 ? 225.401 42.047 2.366 1.00 72.28 ? 211 ARG L C 1 ATOM 9009 O O . ARG F 2 213 ? 225.448 43.086 1.698 1.00 80.98 ? 211 ARG L O 1 ATOM 9010 C CB . ARG F 2 213 ? 223.091 42.190 3.349 1.00 53.68 ? 211 ARG L CB 1 ATOM 9011 C CG . ARG F 2 213 ? 222.545 41.280 2.250 1.00 53.51 ? 211 ARG L CG 1 ATOM 9012 C CD . ARG F 2 213 ? 221.123 41.669 1.829 1.00 55.94 ? 211 ARG L CD 1 ATOM 9013 N NE . ARG F 2 213 ? 220.949 43.112 1.669 1.00 56.31 ? 211 ARG L NE 1 ATOM 9014 C CZ . ARG F 2 213 ? 221.276 43.797 0.577 1.00 68.38 ? 211 ARG L CZ 1 ATOM 9015 N NH1 . ARG F 2 213 ? 221.805 43.177 -0.469 1.00 83.71 1 211 ARG L NH1 1 ATOM 9016 N NH2 . ARG F 2 213 ? 221.077 45.110 0.533 1.00 68.41 ? 211 ARG L NH2 1 ATOM 9017 N N . GLY F 2 214 ? 226.073 40.943 2.040 1.00 72.68 ? 212 GLY L N 1 ATOM 9018 C CA . GLY F 2 214 ? 226.965 40.898 0.891 1.00 76.02 ? 212 GLY L CA 1 ATOM 9019 C C . GLY F 2 214 ? 228.407 40.555 1.229 1.00 78.70 ? 212 GLY L C 1 ATOM 9020 O O . GLY F 2 214 ? 229.144 41.366 1.799 1.00 79.49 ? 212 GLY L O 1 HETATM 9021 C C1 . NAG G 4 . ? 156.470 9.730 56.715 1.00 88.42 ? 1001 NAG G C1 1 HETATM 9022 C C2 . NAG G 4 . ? 155.737 8.430 56.422 1.00 95.17 ? 1001 NAG G C2 1 HETATM 9023 C C3 . NAG G 4 . ? 154.325 8.485 56.974 1.00 99.41 ? 1001 NAG G C3 1 HETATM 9024 C C4 . NAG G 4 . ? 154.375 8.773 58.465 1.00 106.18 ? 1001 NAG G C4 1 HETATM 9025 C C5 . NAG G 4 . ? 155.115 10.102 58.670 1.00 103.04 ? 1001 NAG G C5 1 HETATM 9026 C C6 . NAG G 4 . ? 155.247 10.451 60.158 1.00 104.74 ? 1001 NAG G C6 1 HETATM 9027 C C7 . NAG G 4 . ? 155.800 7.036 54.396 1.00 97.60 ? 1001 NAG G C7 1 HETATM 9028 C C8 . NAG G 4 . ? 155.657 7.034 52.874 1.00 85.94 ? 1001 NAG G C8 1 HETATM 9029 N N2 . NAG G 4 . ? 155.653 8.234 54.969 1.00 98.07 ? 1001 NAG G N2 1 HETATM 9030 O O3 . NAG G 4 . ? 153.668 7.228 56.725 1.00 97.17 ? 1001 NAG G O3 1 HETATM 9031 O O4 . NAG G 4 . ? 153.028 8.842 58.990 1.00 111.51 ? 1001 NAG G O4 1 HETATM 9032 O O5 . NAG G 4 . ? 156.444 10.002 58.129 1.00 95.29 ? 1001 NAG G O5 1 HETATM 9033 O O6 . NAG G 4 . ? 156.375 9.769 60.719 1.00 104.67 ? 1001 NAG G O6 1 HETATM 9034 O O7 . NAG G 4 . ? 156.040 6.002 55.015 1.00 108.20 ? 1001 NAG G O7 1 HETATM 9035 C C1 . NAG H 4 . ? 159.425 3.493 54.263 1.00 61.78 ? 1002 NAG G C1 1 HETATM 9036 C C2 . NAG H 4 . ? 159.565 2.228 53.437 1.00 58.80 ? 1002 NAG G C2 1 HETATM 9037 C C3 . NAG H 4 . ? 158.217 1.833 52.867 1.00 57.73 ? 1002 NAG G C3 1 HETATM 9038 C C4 . NAG H 4 . ? 157.195 1.684 53.985 1.00 64.16 ? 1002 NAG G C4 1 HETATM 9039 C C5 . NAG H 4 . ? 157.133 2.992 54.745 1.00 68.22 ? 1002 NAG G C5 1 HETATM 9040 C C6 . NAG H 4 . ? 156.111 2.903 55.884 1.00 68.36 ? 1002 NAG G C6 1 HETATM 9041 C C7 . NAG H 4 . ? 161.148 1.504 51.691 1.00 61.83 ? 1002 NAG G C7 1 HETATM 9042 C C8 . NAG H 4 . ? 162.034 1.974 50.534 1.00 65.37 ? 1002 NAG G C8 1 HETATM 9043 N N2 . NAG H 4 . ? 160.484 2.479 52.319 1.00 51.21 ? 1002 NAG G N2 1 HETATM 9044 O O3 . NAG H 4 . ? 158.359 0.592 52.155 1.00 62.44 ? 1002 NAG G O3 1 HETATM 9045 O O4 . NAG H 4 . ? 155.897 1.396 53.432 1.00 63.20 ? 1002 NAG G O4 1 HETATM 9046 O O5 . NAG H 4 . ? 158.429 3.283 55.284 1.00 65.29 ? 1002 NAG G O5 1 HETATM 9047 O O6 . NAG H 4 . ? 156.669 2.194 56.993 1.00 69.71 ? 1002 NAG G O6 1 HETATM 9048 O O7 . NAG H 4 . ? 161.080 0.316 51.997 1.00 64.50 ? 1002 NAG G O7 1 HETATM 9049 C C1 . NAG I 4 . ? 223.402 72.469 -33.469 1.00 90.21 ? 201 NAG I C1 1 HETATM 9050 C C2 . NAG I 4 . ? 222.800 73.763 -34.028 1.00 93.46 ? 201 NAG I C2 1 HETATM 9051 C C3 . NAG I 4 . ? 222.929 73.804 -35.538 1.00 101.37 ? 201 NAG I C3 1 HETATM 9052 C C4 . NAG I 4 . ? 224.394 73.642 -35.923 1.00 103.51 ? 201 NAG I C4 1 HETATM 9053 C C5 . NAG I 4 . ? 224.891 72.318 -35.356 1.00 104.56 ? 201 NAG I C5 1 HETATM 9054 C C6 . NAG I 4 . ? 226.373 72.117 -35.675 1.00 112.51 ? 201 NAG I C6 1 HETATM 9055 C C7 . NAG I 4 . ? 220.769 75.006 -33.416 1.00 97.20 ? 201 NAG I C7 1 HETATM 9056 C C8 . NAG I 4 . ? 219.281 74.895 -33.081 1.00 91.86 ? 201 NAG I C8 1 HETATM 9057 N N2 . NAG I 4 . ? 221.375 73.843 -33.680 1.00 94.86 ? 201 NAG I N2 1 HETATM 9058 O O3 . NAG I 4 . ? 222.416 75.064 -36.015 1.00 105.15 ? 201 NAG I O3 1 HETATM 9059 O O4 . NAG I 4 . ? 224.535 73.651 -37.361 1.00 102.13 ? 201 NAG I O4 1 HETATM 9060 O O5 . NAG I 4 . ? 224.761 72.330 -33.928 1.00 94.98 ? 201 NAG I O5 1 HETATM 9061 O O6 . NAG I 4 . ? 227.155 72.853 -34.731 1.00 113.86 ? 201 NAG I O6 1 HETATM 9062 O O7 . NAG I 4 . ? 221.339 76.095 -33.426 1.00 106.14 ? 201 NAG I O7 1 HETATM 9063 C C1 . NAG J 4 . ? 221.774 78.685 -29.843 1.00 55.28 ? 202 NAG I C1 1 HETATM 9064 C C2 . NAG J 4 . ? 221.098 80.001 -29.491 1.00 55.26 ? 202 NAG I C2 1 HETATM 9065 C C3 . NAG J 4 . ? 220.190 80.462 -30.625 1.00 59.86 ? 202 NAG I C3 1 HETATM 9066 C C4 . NAG J 4 . ? 220.984 80.526 -31.928 1.00 73.11 ? 202 NAG I C4 1 HETATM 9067 C C5 . NAG J 4 . ? 221.574 79.158 -32.197 1.00 76.00 ? 202 NAG I C5 1 HETATM 9068 C C6 . NAG J 4 . ? 222.388 79.198 -33.489 1.00 81.43 ? 202 NAG I C6 1 HETATM 9069 C C7 . NAG J 4 . ? 219.943 80.838 -27.459 1.00 58.60 ? 202 NAG I C7 1 HETATM 9070 C C8 . NAG J 4 . ? 219.122 80.441 -26.232 1.00 58.36 ? 202 NAG I C8 1 HETATM 9071 N N2 . NAG J 4 . ? 220.310 79.821 -28.253 1.00 52.84 ? 202 NAG I N2 1 HETATM 9072 O O3 . NAG J 4 . ? 219.677 81.762 -30.304 1.00 62.41 ? 202 NAG I O3 1 HETATM 9073 O O4 . NAG J 4 . ? 220.137 80.908 -33.034 1.00 78.15 ? 202 NAG I O4 1 HETATM 9074 O O5 . NAG J 4 . ? 222.447 78.806 -31.118 1.00 68.42 ? 202 NAG I O5 1 HETATM 9075 O O6 . NAG J 4 . ? 223.474 80.118 -33.340 1.00 84.16 ? 202 NAG I O6 1 HETATM 9076 O O7 . NAG J 4 . ? 220.222 82.016 -27.675 1.00 70.31 ? 202 NAG I O7 1 HETATM 9077 P P . PO4 K 5 . ? 215.784 29.129 17.388 1.00 139.31 ? 301 PO4 L P 1 HETATM 9078 O O1 . PO4 K 5 . ? 214.569 29.034 16.493 1.00 132.29 ? 301 PO4 L O1 1 HETATM 9079 O O2 . PO4 K 5 . ? 217.032 29.227 16.540 1.00 137.36 ? 301 PO4 L O2 1 HETATM 9080 O O3 . PO4 K 5 . ? 215.873 27.893 18.259 1.00 131.37 -1 301 PO4 L O3 1 HETATM 9081 O O4 . PO4 K 5 . ? 215.669 30.367 18.252 1.00 138.18 ? 301 PO4 L O4 1 HETATM 9082 O O . HOH L 6 . ? 204.561 77.753 2.651 1.00 57.34 ? 301 HOH A O 1 HETATM 9083 O O . HOH L 6 . ? 197.184 57.936 63.556 1.00 62.05 ? 302 HOH A O 1 HETATM 9084 O O . HOH L 6 . ? 214.142 70.757 -6.365 1.00 46.98 ? 303 HOH A O 1 HETATM 9085 O O . HOH L 6 . ? 206.106 62.676 -5.751 1.00 48.00 ? 304 HOH A O 1 HETATM 9086 O O . HOH L 6 . ? 214.551 72.818 23.001 1.00 59.46 ? 305 HOH A O 1 HETATM 9087 O O . HOH L 6 . ? 211.631 62.643 20.679 1.00 56.60 ? 306 HOH A O 1 HETATM 9088 O O . HOH L 6 . ? 194.574 68.501 7.920 1.00 64.55 ? 307 HOH A O 1 HETATM 9089 O O . HOH L 6 . ? 187.948 65.591 31.371 1.00 64.44 ? 308 HOH A O 1 HETATM 9090 O O . HOH L 6 . ? 206.247 67.632 53.932 1.00 60.67 ? 309 HOH A O 1 HETATM 9091 O O . HOH L 6 . ? 193.300 66.531 54.846 1.00 63.59 ? 310 HOH A O 1 HETATM 9092 O O . HOH M 6 . ? 226.514 49.122 34.309 1.00 51.73 ? 301 HOH B O 1 HETATM 9093 O O . HOH M 6 . ? 234.724 56.380 39.439 1.00 51.69 ? 302 HOH B O 1 HETATM 9094 O O . HOH M 6 . ? 199.302 50.738 32.083 1.00 62.38 ? 303 HOH B O 1 HETATM 9095 O O . HOH M 6 . ? 239.340 62.831 24.760 1.00 54.48 ? 304 HOH B O 1 HETATM 9096 O O . HOH M 6 . ? 211.054 37.934 37.100 1.00 45.70 ? 305 HOH B O 1 HETATM 9097 O O . HOH M 6 . ? 220.591 61.326 34.519 1.00 60.68 ? 306 HOH B O 1 HETATM 9098 O O . HOH M 6 . ? 230.367 45.610 35.717 1.00 51.73 ? 307 HOH B O 1 HETATM 9099 O O . HOH M 6 . ? 218.953 57.536 32.197 1.00 51.71 ? 308 HOH B O 1 HETATM 9100 O O . HOH M 6 . ? 210.145 53.473 30.311 1.00 51.71 ? 309 HOH B O 1 HETATM 9101 O O . HOH M 6 . ? 221.282 68.764 24.092 1.00 44.49 ? 310 HOH B O 1 HETATM 9102 O O . HOH M 6 . ? 203.521 51.250 34.661 1.00 38.99 ? 311 HOH B O 1 HETATM 9103 O O . HOH M 6 . ? 210.413 42.640 32.449 1.00 49.55 ? 312 HOH B O 1 HETATM 9104 O O . HOH M 6 . ? 224.403 63.371 35.876 1.00 53.07 ? 313 HOH B O 1 HETATM 9105 O O . HOH M 6 . ? 185.506 50.363 32.792 1.00 63.40 ? 314 HOH B O 1 HETATM 9106 O O . HOH M 6 . ? 234.555 52.070 34.522 1.00 62.20 ? 315 HOH B O 1 HETATM 9107 O O . HOH M 6 . ? 226.741 44.328 35.787 1.00 60.60 ? 316 HOH B O 1 HETATM 9108 O O . HOH M 6 . ? 229.443 69.543 26.988 1.00 69.89 ? 317 HOH B O 1 HETATM 9109 O O . HOH M 6 . ? 197.342 36.320 30.114 1.00 63.09 ? 318 HOH B O 1 HETATM 9110 O O . HOH M 6 . ? 223.554 43.817 46.048 1.00 63.85 ? 319 HOH B O 1 HETATM 9111 O O . HOH N 6 . ? 179.464 11.393 39.908 1.00 39.12 ? 1101 HOH G O 1 HETATM 9112 O O . HOH N 6 . ? 164.427 13.648 37.070 1.00 52.96 ? 1102 HOH G O 1 HETATM 9113 O O . HOH N 6 . ? 182.795 10.868 52.431 1.00 51.83 ? 1103 HOH G O 1 HETATM 9114 O O . HOH N 6 . ? 170.615 12.815 37.362 1.00 71.74 ? 1104 HOH G O 1 HETATM 9115 O O . HOH N 6 . ? 176.916 20.516 34.365 1.00 58.70 ? 1105 HOH G O 1 HETATM 9116 O O . HOH N 6 . ? 169.940 26.458 38.207 1.00 60.03 ? 1106 HOH G O 1 HETATM 9117 O O . HOH N 6 . ? 152.241 21.084 48.612 1.00 56.38 ? 1107 HOH G O 1 HETATM 9118 O O . HOH N 6 . ? 176.355 3.516 33.201 1.00 71.91 ? 1108 HOH G O 1 HETATM 9119 O O . HOH O 6 . ? 230.268 25.856 22.952 1.00 49.56 ? 301 HOH H O 1 HETATM 9120 O O . HOH O 6 . ? 192.440 24.517 27.727 1.00 54.26 ? 302 HOH H O 1 HETATM 9121 O O . HOH O 6 . ? 187.439 -1.494 46.386 1.00 56.74 ? 303 HOH H O 1 HETATM 9122 O O . HOH O 6 . ? 199.964 14.766 52.302 1.00 51.66 ? 304 HOH H O 1 HETATM 9123 O O . HOH O 6 . ? 204.618 19.200 29.971 1.00 50.60 ? 305 HOH H O 1 HETATM 9124 O O . HOH O 6 . ? 202.235 22.287 17.803 1.00 48.62 ? 306 HOH H O 1 HETATM 9125 O O . HOH O 6 . ? 207.028 21.039 31.244 1.00 50.79 ? 307 HOH H O 1 HETATM 9126 O O . HOH O 6 . ? 190.750 7.458 47.471 1.00 39.38 ? 308 HOH H O 1 HETATM 9127 O O . HOH O 6 . ? 199.860 -2.081 46.493 1.00 64.91 ? 309 HOH H O 1 HETATM 9128 O O . HOH O 6 . ? 205.462 6.268 35.572 1.00 47.37 ? 310 HOH H O 1 HETATM 9129 O O . HOH O 6 . ? 183.853 -4.334 30.638 1.00 53.86 ? 311 HOH H O 1 HETATM 9130 O O . HOH O 6 . ? 217.475 20.354 3.644 1.00 57.66 ? 312 HOH H O 1 HETATM 9131 O O . HOH O 6 . ? 212.334 12.115 3.059 1.00 57.86 ? 313 HOH H O 1 HETATM 9132 O O . HOH O 6 . ? 235.553 17.607 20.071 1.00 56.87 ? 314 HOH H O 1 HETATM 9133 O O . HOH P 6 . ? 219.127 73.594 -12.972 1.00 42.14 ? 301 HOH I O 1 HETATM 9134 O O . HOH P 6 . ? 212.493 63.455 -34.840 1.00 76.02 ? 302 HOH I O 1 HETATM 9135 O O . HOH P 6 . ? 208.977 71.334 -15.206 1.00 47.79 ? 303 HOH I O 1 HETATM 9136 O O . HOH P 6 . ? 229.491 73.503 -4.628 1.00 68.57 ? 304 HOH I O 1 HETATM 9137 O O . HOH P 6 . ? 205.539 80.038 -14.527 1.00 61.31 ? 305 HOH I O 1 HETATM 9138 O O . HOH Q 6 . ? 215.470 12.046 45.086 1.00 57.78 ? 401 HOH L O 1 HETATM 9139 O O . HOH Q 6 . ? 197.200 26.190 43.515 1.00 41.20 ? 402 HOH L O 1 HETATM 9140 O O . HOH Q 6 . ? 212.831 29.107 5.564 1.00 52.27 ? 403 HOH L O 1 HETATM 9141 O O . HOH Q 6 . ? 221.676 10.602 47.244 1.00 64.97 ? 404 HOH L O 1 HETATM 9142 O O . HOH Q 6 . ? 222.260 33.127 40.057 1.00 41.66 ? 405 HOH L O 1 HETATM 9143 O O . HOH Q 6 . ? 215.604 38.330 20.907 1.00 51.67 ? 406 HOH L O 1 HETATM 9144 O O . HOH Q 6 . ? 229.711 25.763 46.279 1.00 46.17 ? 407 HOH L O 1 HETATM 9145 O O . HOH Q 6 . ? 229.178 46.471 15.118 1.00 60.49 ? 408 HOH L O 1 HETATM 9146 O O . HOH Q 6 . ? 206.010 9.429 43.395 1.00 48.73 ? 409 HOH L O 1 HETATM 9147 O O . HOH Q 6 . ? 211.311 16.106 57.016 1.00 44.93 ? 410 HOH L O 1 HETATM 9148 O O . HOH Q 6 . ? 215.758 39.801 25.461 1.00 64.11 ? 411 HOH L O 1 HETATM 9149 O O . HOH Q 6 . ? 226.849 29.536 -1.550 1.00 71.74 ? 412 HOH L O 1 HETATM 9150 O O . HOH Q 6 . ? 232.697 38.742 33.458 1.00 50.87 ? 413 HOH L O 1 HETATM 9151 O O . HOH Q 6 . ? 225.191 25.698 28.022 1.00 65.98 ? 414 HOH L O 1 HETATM 9152 O O . HOH Q 6 . ? 224.111 29.491 47.798 1.00 46.56 ? 415 HOH L O 1 HETATM 9153 O O . HOH Q 6 . ? 209.655 46.074 13.886 1.00 56.23 ? 416 HOH L O 1 HETATM 9154 O O . HOH Q 6 . ? 208.238 9.072 32.104 1.00 45.93 ? 417 HOH L O 1 HETATM 9155 O O . HOH Q 6 . ? 217.167 34.197 28.756 1.00 67.40 ? 418 HOH L O 1 HETATM 9156 O O . HOH Q 6 . ? 211.697 23.279 33.487 1.00 60.44 ? 419 HOH L O 1 HETATM 9157 O O . HOH Q 6 . ? 207.065 38.566 19.661 1.00 63.59 ? 420 HOH L 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 . GLN A 1 ? 1.1165 0.7752 0.9147 -0.1403 0.0444 0.0491 1 GLN A N 2 C CA . GLN A 1 ? 1.1496 0.8595 0.9815 -0.1266 0.0302 0.0505 1 GLN A CA 3 C C . GLN A 1 ? 1.0816 0.7953 0.9268 -0.0931 0.0281 0.0580 1 GLN A C 4 O O . GLN A 1 ? 1.1949 0.8713 1.0220 -0.0755 0.0348 0.0594 1 GLN A O 5 C CB . GLN A 1 ? 1.2780 0.9862 1.1027 -0.1329 0.0258 0.0415 1 GLN A CB 6 C CG . GLN A 1 ? 1.4579 1.1180 1.2579 -0.1147 0.0334 0.0383 1 GLN A CG 7 C CD . GLN A 1 ? 1.6386 1.2340 1.3978 -0.1221 0.0505 0.0361 1 GLN A CD 8 O OE1 . GLN A 1 ? 1.6447 1.2282 1.3909 -0.1457 0.0564 0.0350 1 GLN A OE1 9 N NE2 . GLN A 1 ? 1.6977 1.2505 1.4360 -0.1014 0.0598 0.0365 1 GLN A NE2 10 N N . VAL A 2 ? 0.9736 0.7334 0.8495 -0.0848 0.0196 0.0635 2 VAL A N 11 C CA . VAL A 2 ? 0.8489 0.6163 0.7364 -0.0578 0.0170 0.0700 2 VAL A CA 12 C C . VAL A 2 ? 0.7674 0.5411 0.6609 -0.0423 0.0104 0.0668 2 VAL A C 13 O O . VAL A 2 ? 0.8257 0.6257 0.7323 -0.0488 0.0033 0.0625 2 VAL A O 14 C CB . VAL A 2 ? 0.7459 0.5549 0.6594 -0.0560 0.0126 0.0761 2 VAL A CB 15 C CG1 . VAL A 2 ? 0.6617 0.4768 0.5831 -0.0316 0.0098 0.0812 2 VAL A CG1 16 C CG2 . VAL A 2 ? 0.6299 0.4330 0.5374 -0.0716 0.0202 0.0798 2 VAL A CG2 17 N N . GLN A 3 ? 0.7734 0.5253 0.6576 -0.0216 0.0130 0.0701 3 GLN A N 18 C CA . GLN A 3 ? 0.7839 0.5432 0.6744 -0.0059 0.0076 0.0683 3 GLN A CA 19 C C . GLN A 3 ? 0.7312 0.4995 0.6294 0.0161 0.0051 0.0759 3 GLN A C 20 O O . GLN A 3 ? 0.8747 0.6225 0.7603 0.0242 0.0110 0.0826 3 GLN A O 21 C CB . GLN A 3 ? 0.8990 0.6196 0.7654 -0.0047 0.0149 0.0638 3 GLN A CB 22 C CG . GLN A 3 ? 1.1597 0.8731 1.0160 -0.0284 0.0159 0.0542 3 GLN A CG 23 C CD . GLN A 3 ? 1.3424 1.0089 1.1685 -0.0276 0.0262 0.0491 3 GLN A CD 24 O OE1 . GLN A 3 ? 1.3720 1.0191 1.1907 -0.0053 0.0314 0.0536 3 GLN A OE1 25 N NE2 . GLN A 3 ? 1.3954 1.0440 1.2028 -0.0524 0.0300 0.0404 3 GLN A NE2 26 N N . LEU A 4 ? 0.6188 0.4178 0.5359 0.0245 -0.0035 0.0754 4 LEU A N 27 C CA . LEU A 4 ? 0.6810 0.4918 0.6043 0.0422 -0.0072 0.0812 4 LEU A CA 28 C C . LEU A 4 ? 0.7443 0.5583 0.6701 0.0531 -0.0105 0.0789 4 LEU A C 29 O O . LEU A 4 ? 0.7629 0.5970 0.7014 0.0496 -0.0161 0.0736 4 LEU A O 30 C CB . LEU A 4 ? 0.6625 0.5043 0.6029 0.0407 -0.0127 0.0823 4 LEU A CB 31 C CG . LEU A 4 ? 0.6387 0.4821 0.5793 0.0307 -0.0087 0.0851 4 LEU A CG 32 C CD1 . LEU A 4 ? 0.6842 0.5542 0.6388 0.0328 -0.0118 0.0865 4 LEU A CD1 33 C CD2 . LEU A 4 ? 0.6472 0.4659 0.5707 0.0352 -0.0027 0.0915 4 LEU A CD2 34 N N . VAL A 5 ? 0.6899 0.4850 0.6037 0.0672 -0.0061 0.0841 5 VAL A N 35 C CA . VAL A 5 ? 0.6382 0.4350 0.5534 0.0792 -0.0069 0.0835 5 VAL A CA 36 C C . VAL A 5 ? 0.6846 0.5049 0.6094 0.0945 -0.0124 0.0915 5 VAL A C 37 O O . VAL A 5 ? 0.9158 0.7302 0.8331 0.1039 -0.0098 0.1009 5 VAL A O 38 C CB . VAL A 5 ? 0.7618 0.5195 0.6551 0.0851 0.0044 0.0845 5 VAL A CB 39 C CG1 . VAL A 5 ? 0.6535 0.4146 0.5491 0.0994 0.0049 0.0850 5 VAL A CG1 40 C CG2 . VAL A 5 ? 0.6375 0.3705 0.5171 0.0649 0.0098 0.0754 5 VAL A CG2 41 N N . GLN A 6 ? 0.6432 0.4907 0.5830 0.0958 -0.0199 0.0884 6 GLN A N 42 C CA . GLN A 6 ? 0.6143 0.4881 0.5630 0.1052 -0.0262 0.0945 6 GLN A CA 43 C C . GLN A 6 ? 0.7383 0.6175 0.6888 0.1199 -0.0253 0.0987 6 GLN A C 44 O O . GLN A 6 ? 0.7498 0.6125 0.6957 0.1225 -0.0200 0.0949 6 GLN A O 45 C CB . GLN A 6 ? 0.5353 0.4345 0.4973 0.0959 -0.0335 0.0886 6 GLN A CB 46 C CG . GLN A 6 ? 0.6547 0.5532 0.6161 0.0849 -0.0332 0.0869 6 GLN A CG 47 C CD . GLN A 6 ? 0.5671 0.4859 0.5385 0.0787 -0.0374 0.0824 6 GLN A CD 48 O OE1 . GLN A 6 ? 0.5798 0.4996 0.5557 0.0704 -0.0358 0.0785 6 GLN A OE1 49 N NE2 . GLN A 6 ? 0.5877 0.5233 0.5618 0.0826 -0.0419 0.0837 6 GLN A NE2 50 N N . SER A 7 ? 0.7394 0.6439 0.6961 0.1284 -0.0304 0.1068 7 SER A N 51 C CA . SER A 7 ? 0.6622 0.5804 0.6237 0.1434 -0.0300 0.1138 7 SER A CA 52 C C . SER A 7 ? 0.6860 0.6228 0.6601 0.1388 -0.0346 0.1058 7 SER A C 53 O O . SER A 7 ? 0.6897 0.6319 0.6689 0.1251 -0.0391 0.0965 7 SER A O 54 C CB . SER A 7 ? 0.5842 0.5294 0.5484 0.1518 -0.0349 0.1267 7 SER A CB 55 O OG . SER A 7 ? 0.6532 0.6188 0.6215 0.1379 -0.0437 0.1230 7 SER A OG 56 N N . GLY A 8 ? 0.6984 0.6449 0.6771 0.1519 -0.0323 0.1108 8 GLY A N 57 C CA . GLY A 8 ? 0.5299 0.4884 0.5181 0.1488 -0.0343 0.1034 8 GLY A CA 58 C C . GLY A 8 ? 0.6448 0.6388 0.6456 0.1405 -0.0440 0.1022 8 GLY A C 59 O O . GLY A 8 ? 0.7689 0.7821 0.7710 0.1375 -0.0496 0.1078 8 GLY A O 60 N N . ALA A 9 ? 0.5829 0.5833 0.5904 0.1356 -0.0452 0.0944 9 ALA A N 61 C CA . ALA A 9 ? 0.6273 0.6556 0.6436 0.1264 -0.0521 0.0918 9 ALA A CA 62 C C . ALA A 9 ? 0.6250 0.6866 0.6484 0.1330 -0.0559 0.1029 9 ALA A C 63 O O . ALA A 9 ? 0.6638 0.7309 0.6901 0.1488 -0.0518 0.1126 9 ALA A O 64 C CB . ALA A 9 ? 0.5328 0.5601 0.5538 0.1233 -0.0509 0.0835 9 ALA A CB 65 N N . GLU A 10 ? 0.6032 0.6876 0.6283 0.1202 -0.0629 0.1021 10 GLU A N 66 C CA . GLU A 10 ? 0.7283 0.8508 0.7596 0.1213 -0.0685 0.1125 10 GLU A CA 67 C C . GLU A 10 ? 0.7227 0.8666 0.7575 0.1056 -0.0730 0.1063 10 GLU A C 68 O O . GLU A 10 ? 0.7981 0.9258 0.8256 0.0917 -0.0728 0.0953 10 GLU A O 69 C CB . GLU A 10 ? 0.8986 1.0284 0.9219 0.1181 -0.0730 0.1197 10 GLU A CB 70 C CG . GLU A 10 ? 1.0192 1.1214 1.0349 0.1300 -0.0677 0.1244 10 GLU A CG 71 C CD . GLU A 10 ? 1.1610 1.2803 1.1798 0.1485 -0.0665 0.1414 10 GLU A CD 72 O OE1 . GLU A 10 ? 1.3018 1.4594 1.3316 0.1532 -0.0703 0.1506 10 GLU A OE1 73 O OE2 . GLU A 10 ? 1.1921 1.2875 1.2021 0.1587 -0.0610 0.1467 10 GLU A OE2 74 N N . VAL A 11 ? 0.7133 0.8941 0.7587 0.1081 -0.0761 0.1145 11 VAL A N 75 C CA . VAL A 11 ? 0.6952 0.9013 0.7420 0.0903 -0.0809 0.1105 11 VAL A CA 76 C C . VAL A 11 ? 0.5817 0.8274 0.6285 0.0831 -0.0892 0.1214 11 VAL A C 77 O O . VAL A 11 ? 0.6630 0.9343 0.7197 0.0986 -0.0906 0.1362 11 VAL A O 78 C CB . VAL A 11 ? 0.6854 0.9057 0.7449 0.0952 -0.0778 0.1102 11 VAL A CB 79 C CG1 . VAL A 11 ? 0.6063 0.8465 0.6636 0.0735 -0.0815 0.1043 11 VAL A CG1 80 C CG2 . VAL A 11 ? 0.5769 0.7593 0.6346 0.1036 -0.0700 0.1010 11 VAL A CG2 81 N N . LYS A 12 ? 0.5506 0.8009 0.5847 0.0598 -0.0939 0.1147 12 LYS A N 82 C CA . LYS A 12 ? 0.5230 0.8077 0.5516 0.0480 -0.1026 0.1232 12 LYS A CA 83 C C . LYS A 12 ? 0.6372 0.9412 0.6578 0.0209 -0.1065 0.1163 12 LYS A C 84 O O . LYS A 12 ? 0.7898 1.0647 0.7999 0.0086 -0.1011 0.1024 12 LYS A O 85 C CB . LYS A 12 ? 0.4238 0.6844 0.4350 0.0443 -0.1034 0.1217 12 LYS A CB 86 C CG . LYS A 12 ? 0.4753 0.7193 0.4915 0.0684 -0.0999 0.1302 12 LYS A CG 87 C CD . LYS A 12 ? 0.4782 0.7632 0.5034 0.0810 -0.1056 0.1495 12 LYS A CD 88 C CE . LYS A 12 ? 0.4789 0.7409 0.5045 0.1049 -0.0997 0.1581 12 LYS A CE 89 N NZ . LYS A 12 ? 0.6725 0.9735 0.7061 0.1206 -0.1035 0.1793 12 LYS A NZ 90 N N . LYS A 13 ? 0.4865 0.8407 0.5110 0.0113 -0.1154 0.1271 13 LYS A N 91 C CA . LYS A 13 ? 0.6647 1.0398 0.6777 -0.0190 -0.1197 0.1211 13 LYS A CA 92 C C . LYS A 13 ? 0.7207 1.0684 0.7029 -0.0420 -0.1204 0.1110 13 LYS A C 93 O O . LYS A 13 ? 0.7036 1.0390 0.6780 -0.0349 -0.1218 0.1147 13 LYS A O 94 C CB . LYS A 13 ? 0.6659 1.1100 0.6935 -0.0237 -0.1300 0.1373 13 LYS A CB 95 C CG . LYS A 13 ? 0.7778 1.2537 0.8271 -0.0203 -0.1284 0.1411 13 LYS A CG 96 C CD . LYS A 13 ? 0.8501 1.3268 0.9243 0.0160 -0.1225 0.1517 13 LYS A CD 97 C CE . LYS A 13 ? 0.8253 1.3253 0.9180 0.0190 -0.1185 0.1531 13 LYS A CE 98 N NZ . LYS A 13 ? 0.8148 1.3795 0.9152 -0.0017 -0.1274 0.1621 13 LYS A NZ 99 N N . PRO A 14 ? 0.7449 1.0793 0.7068 -0.0695 -0.1176 0.0981 14 PRO A N 100 C CA . PRO A 14 ? 0.6288 0.9360 0.5569 -0.0931 -0.1163 0.0885 14 PRO A CA 101 C C . PRO A 14 ? 0.6596 1.0062 0.5812 -0.1027 -0.1281 0.0997 14 PRO A C 102 O O . PRO A 14 ? 0.7198 1.1239 0.6544 -0.1092 -0.1383 0.1113 14 PRO A O 103 C CB . PRO A 14 ? 0.5234 0.8209 0.4323 -0.1221 -0.1115 0.0760 14 PRO A CB 104 C CG . PRO A 14 ? 0.6029 0.8973 0.5342 -0.1066 -0.1059 0.0747 14 PRO A CG 105 C CD . PRO A 14 ? 0.6379 0.9733 0.6036 -0.0793 -0.1130 0.0908 14 PRO A CD 106 N N . GLY A 15 ? 0.7087 1.0268 0.6109 -0.1030 -0.1266 0.0974 15 GLY A N 107 C CA . GLY A 15 ? 0.6804 1.0305 0.5721 -0.1125 -0.1372 0.1075 15 GLY A CA 108 C C . GLY A 15 ? 0.6385 1.0117 0.5528 -0.0826 -0.1427 0.1252 15 GLY A C 109 O O . GLY A 15 ? 0.7227 1.1162 0.6265 -0.0870 -0.1505 0.1344 15 GLY A O 110 N N . ALA A 16 ? 0.6045 0.9728 0.5466 -0.0528 -0.1381 0.1305 16 ALA A N 111 C CA . ALA A 16 ? 0.7069 1.0866 0.6669 -0.0227 -0.1397 0.1465 16 ALA A CA 112 C C . ALA A 16 ? 0.7963 1.1271 0.7413 -0.0142 -0.1334 0.1417 16 ALA A C 113 O O . ALA A 16 ? 0.8819 1.1861 0.8004 -0.0339 -0.1315 0.1309 16 ALA A O 114 C CB . ALA A 16 ? 0.4275 0.8102 0.4164 0.0039 -0.1343 0.1515 16 ALA A CB 115 N N . SER A 17 ? 0.6493 0.9670 0.6096 0.0147 -0.1288 0.1498 17 SER A N 116 C CA . SER A 17 ? 0.5748 0.8499 0.5242 0.0246 -0.1225 0.1473 17 SER A CA 117 C C . SER A 17 ? 0.6885 0.9383 0.6554 0.0509 -0.1139 0.1485 17 SER A C 118 O O . SER A 17 ? 0.7858 1.0591 0.7719 0.0688 -0.1143 0.1595 17 SER A O 119 C CB . SER A 17 ? 0.6660 0.9613 0.6066 0.0284 -0.1290 0.1621 17 SER A CB 120 O OG . SER A 17 ? 0.8309 1.1387 0.7481 0.0008 -0.1357 0.1581 17 SER A OG 121 N N . VAL A 18 ? 0.6071 0.8095 0.5663 0.0526 -0.1054 0.1374 18 VAL A N 122 C CA . VAL A 18 ? 0.5994 0.7741 0.5702 0.0732 -0.0972 0.1371 18 VAL A CA 123 C C . VAL A 18 ? 0.6203 0.7668 0.5803 0.0803 -0.0929 0.1400 18 VAL A C 124 O O . VAL A 18 ? 0.6711 0.8072 0.6142 0.0669 -0.0937 0.1360 18 VAL A O 125 C CB . VAL A 18 ? 0.5402 0.6884 0.5146 0.0681 -0.0909 0.1217 18 VAL A CB 126 C CG1 . VAL A 18 ? 0.5930 0.7121 0.5502 0.0521 -0.0871 0.1095 18 VAL A CG1 127 C CG2 . VAL A 18 ? 0.5018 0.6273 0.4876 0.0870 -0.0837 0.1218 18 VAL A CG2 128 N N . LYS A 19 ? 0.5760 0.7088 0.5435 0.1010 -0.0874 0.1473 19 LYS A N 129 C CA . LYS A 19 ? 0.5747 0.6788 0.5317 0.1082 -0.0820 0.1508 19 LYS A CA 130 C C . LYS A 19 ? 0.6552 0.7232 0.6170 0.1174 -0.0724 0.1440 19 LYS A C 131 O O . LYS A 19 ? 0.8020 0.8676 0.7716 0.1338 -0.0680 0.1502 19 LYS A O 132 C CB . LYS A 19 ? 0.5902 0.7131 0.5453 0.1235 -0.0841 0.1698 19 LYS A CB 133 C CG . LYS A 19 ? 0.7254 0.8162 0.6665 0.1292 -0.0778 0.1734 19 LYS A CG 134 C CD . LYS A 19 ? 0.7209 0.8349 0.6544 0.1380 -0.0822 0.1919 19 LYS A CD 135 C CE . LYS A 19 ? 0.6715 0.7528 0.5881 0.1394 -0.0762 0.1939 19 LYS A CE 136 N NZ . LYS A 19 ? 0.9103 1.0123 0.8185 0.1510 -0.0795 0.2139 19 LYS A NZ 137 N N . VAL A 20 ? 0.6151 0.6564 0.5712 0.1064 -0.0685 0.1320 20 VAL A N 138 C CA . VAL A 20 ? 0.6296 0.6402 0.5890 0.1100 -0.0607 0.1245 20 VAL A CA 139 C C . VAL A 20 ? 0.6140 0.5984 0.5630 0.1154 -0.0544 0.1294 20 VAL A C 140 O O . VAL A 20 ? 0.7390 0.7215 0.6774 0.1098 -0.0553 0.1322 20 VAL A O 141 C CB . VAL A 20 ? 0.6002 0.6020 0.5611 0.0955 -0.0598 0.1106 20 VAL A CB 142 C CG1 . VAL A 20 ? 0.4913 0.4687 0.4568 0.0974 -0.0533 0.1039 20 VAL A CG1 143 C CG2 . VAL A 20 ? 0.5246 0.5498 0.4920 0.0890 -0.0649 0.1064 20 VAL A CG2 144 N N . SER A 21 ? 0.5855 0.5471 0.5347 0.1251 -0.0472 0.1301 21 SER A N 145 C CA . SER A 21 ? 0.5951 0.5269 0.5320 0.1282 -0.0395 0.1337 21 SER A CA 146 C C . SER A 21 ? 0.5663 0.4725 0.5032 0.1181 -0.0340 0.1219 21 SER A C 147 O O . SER A 21 ? 0.7440 0.6555 0.6906 0.1120 -0.0358 0.1125 21 SER A O 148 C CB . SER A 21 ? 0.5719 0.4932 0.5029 0.1476 -0.0332 0.1462 21 SER A CB 149 O OG . SER A 21 ? 0.7204 0.6258 0.6542 0.1534 -0.0270 0.1416 21 SER A OG 150 N N . CYS A 22 ? 0.6884 0.5687 0.6139 0.1154 -0.0273 0.1232 22 CYS A N 151 C CA . CYS A 22 ? 0.6284 0.4892 0.5537 0.1030 -0.0225 0.1134 22 CYS A CA 152 C C . CYS A 22 ? 0.6806 0.5096 0.5898 0.1035 -0.0133 0.1180 22 CYS A C 153 O O . CYS A 22 ? 0.8067 0.6329 0.7086 0.1013 -0.0121 0.1230 22 CYS A O 154 C CB . CYS A 22 ? 0.6511 0.5268 0.5840 0.0898 -0.0264 0.1069 22 CYS A CB 155 S SG . CYS A 22 ? 0.8446 0.7055 0.7783 0.0747 -0.0206 0.0998 22 CYS A SG 156 N N . LYS A 23 ? 0.7139 0.5165 0.6147 0.1059 -0.0057 0.1162 23 LYS A N 157 C CA . LYS A 23 ? 0.7745 0.5400 0.6556 0.1057 0.0055 0.1199 23 LYS A CA 158 C C . LYS A 23 ? 0.7299 0.4827 0.6093 0.0848 0.0085 0.1100 23 LYS A C 159 O O . LYS A 23 ? 0.9073 0.6630 0.7931 0.0753 0.0068 0.1005 23 LYS A O 160 C CB . LYS A 23 ? 0.6597 0.3979 0.5273 0.1195 0.0148 0.1238 23 LYS A CB 161 C CG . LYS A 23 ? 0.8134 0.5075 0.6556 0.1220 0.0288 0.1295 23 LYS A CG 162 C CD . LYS A 23 ? 1.0435 0.7049 0.8690 0.1367 0.0411 0.1329 23 LYS A CD 163 C CE . LYS A 23 ? 1.1728 0.7951 0.9727 0.1498 0.0557 0.1455 23 LYS A CE 164 N NZ . LYS A 23 ? 1.2455 0.8390 1.0294 0.1310 0.0620 0.1413 23 LYS A NZ 165 N N . ALA A 24 ? 0.7432 0.4850 0.6144 0.0773 0.0127 0.1130 24 ALA A N 166 C CA . ALA A 24 ? 0.7110 0.4461 0.5817 0.0568 0.0158 0.1060 24 ALA A CA 167 C C . ALA A 24 ? 0.8047 0.4962 0.6515 0.0503 0.0283 0.1058 24 ALA A C 168 O O . ALA A 24 ? 0.9541 0.6178 0.7825 0.0635 0.0364 0.1141 24 ALA A O 169 C CB . ALA A 24 ? 0.6822 0.4327 0.5583 0.0515 0.0141 0.1096 24 ALA A CB 170 N N . SER A 25 ? 0.8590 0.5447 0.7047 0.0294 0.0305 0.0969 25 SER A N 171 C CA . SER A 25 ? 0.8978 0.5396 0.7172 0.0174 0.0431 0.0945 25 SER A CA 172 C C . SER A 25 ? 0.8384 0.4903 0.6626 -0.0104 0.0424 0.0869 25 SER A C 173 O O . SER A 25 ? 0.9084 0.5994 0.7561 -0.0181 0.0325 0.0825 25 SER A O 174 C CB . SER A 25 ? 0.9370 0.5501 0.7403 0.0235 0.0489 0.0904 25 SER A CB 175 O OG . SER A 25 ? 1.1138 0.7572 0.9363 0.0237 0.0385 0.0837 25 SER A OG 176 N N . GLY A 26 ? 0.9099 0.5272 0.7113 -0.0255 0.0537 0.0865 26 GLY A N 177 C CA . GLY A 26 ? 0.8582 0.4852 0.6618 -0.0547 0.0541 0.0803 26 GLY A CA 178 C C . GLY A 26 ? 0.9008 0.5528 0.7188 -0.0616 0.0530 0.0858 26 GLY A C 179 O O . GLY A 26 ? 0.9485 0.6142 0.7709 -0.0860 0.0536 0.0825 26 GLY A O 180 N N . TYR A 27 ? 0.9817 0.6418 0.8064 -0.0421 0.0515 0.0945 27 TYR A N 181 C CA . TYR A 27 ? 0.9104 0.5909 0.7459 -0.0472 0.0522 0.0999 27 TYR A CA 182 C C . TYR A 27 ? 0.9589 0.6203 0.7817 -0.0279 0.0565 0.1097 27 TYR A C 183 O O . TYR A 27 ? 1.0726 0.7178 0.8857 -0.0084 0.0561 0.1133 27 TYR A O 184 C CB . TYR A 27 ? 0.7503 0.4834 0.6181 -0.0464 0.0415 0.0990 27 TYR A CB 185 C CG . TYR A 27 ? 0.7402 0.4899 0.6190 -0.0232 0.0337 0.1017 27 TYR A CG 186 C CD1 . TYR A 27 ? 0.7498 0.5073 0.6353 -0.0142 0.0263 0.0972 27 TYR A CD1 187 C CD2 . TYR A 27 ? 0.7230 0.4804 0.6037 -0.0122 0.0339 0.1086 27 TYR A CD2 188 C CE1 . TYR A 27 ? 0.5886 0.3622 0.4832 0.0042 0.0194 0.0996 27 TYR A CE1 189 C CE2 . TYR A 27 ? 0.6883 0.4606 0.5759 0.0052 0.0268 0.1105 27 TYR A CE2 190 C CZ . TYR A 27 ? 0.6544 0.4354 0.5494 0.0128 0.0195 0.1060 27 TYR A CZ 191 O OH . TYR A 27 ? 0.7464 0.5430 0.6473 0.0272 0.0128 0.1078 27 TYR A OH 192 N N . THR A 28 ? 0.8543 0.5202 0.6771 -0.0334 0.0609 0.1150 28 THR A N 193 C CA . THR A 28 ? 0.7314 0.3838 0.5421 -0.0172 0.0643 0.1250 28 THR A CA 194 C C . THR A 28 ? 0.8965 0.5797 0.7231 0.0014 0.0533 0.1275 28 THR A C 195 O O . THR A 28 ? 0.8701 0.5856 0.7150 -0.0015 0.0487 0.1264 28 THR A O 196 C CB . THR A 28 ? 1.0110 0.6637 0.8189 -0.0296 0.0717 0.1291 28 THR A CB 197 O OG1 . THR A 28 ? 1.0675 0.6882 0.8569 -0.0488 0.0828 0.1270 28 THR A OG1 198 C CG2 . THR A 28 ? 0.9501 0.5916 0.7446 -0.0129 0.0742 0.1396 28 THR A CG2 199 N N . PHE A 29 ? 0.8998 0.5724 0.7180 0.0203 0.0504 0.1316 29 PHE A N 200 C CA . PHE A 29 ? 0.7829 0.4859 0.6155 0.0347 0.0392 0.1325 29 PHE A CA 201 C C . PHE A 29 ? 0.7611 0.4828 0.5965 0.0368 0.0369 0.1372 29 PHE A C 202 O O . PHE A 29 ? 0.8156 0.5666 0.6668 0.0368 0.0298 0.1334 29 PHE A O 203 C CB . PHE A 29 ? 0.7236 0.4135 0.5454 0.0543 0.0380 0.1390 29 PHE A CB 204 C CG . PHE A 29 ? 0.6759 0.3983 0.5114 0.0667 0.0262 0.1401 29 PHE A CG 205 C CD1 . PHE A 29 ? 0.6612 0.4076 0.5160 0.0631 0.0186 0.1311 29 PHE A CD1 206 C CD2 . PHE A 29 ? 0.7002 0.4298 0.5280 0.0808 0.0230 0.1507 29 PHE A CD2 207 C CE1 . PHE A 29 ? 0.6504 0.4242 0.5157 0.0723 0.0088 0.1317 29 PHE A CE1 208 C CE2 . PHE A 29 ? 0.6983 0.4591 0.5371 0.0887 0.0121 0.1515 29 PHE A CE2 209 C CZ . PHE A 29 ? 0.6581 0.4394 0.5151 0.0840 0.0055 0.1415 29 PHE A CZ 210 N N . THR A 30 ? 0.8791 0.5813 0.6965 0.0383 0.0439 0.1455 30 THR A N 211 C CA . THR A 30 ? 0.8676 0.5845 0.6832 0.0399 0.0425 0.1500 30 THR A CA 212 C C . THR A 30 ? 0.8082 0.5390 0.6353 0.0252 0.0466 0.1451 30 THR A C 213 O O . THR A 30 ? 0.8243 0.5601 0.6454 0.0255 0.0489 0.1490 30 THR A O 214 C CB . THR A 30 ? 0.8540 0.5461 0.6452 0.0469 0.0491 0.1614 30 THR A CB 215 O OG1 . THR A 30 ? 0.9129 0.5761 0.6937 0.0354 0.0611 0.1616 30 THR A OG1 216 C CG2 . THR A 30 ? 0.8678 0.5513 0.6484 0.0654 0.0457 0.1698 30 THR A CG2 217 N N . GLY A 31 ? 0.6631 0.4022 0.5057 0.0126 0.0481 0.1379 31 GLY A N 218 C CA . GLY A 31 ? 0.6485 0.4021 0.5018 -0.0006 0.0542 0.1366 31 GLY A CA 219 C C . GLY A 31 ? 0.8530 0.6405 0.7281 0.0002 0.0496 0.1322 31 GLY A C 220 O O . GLY A 31 ? 0.8603 0.6630 0.7442 -0.0057 0.0557 0.1335 31 GLY A O 221 N N . TYR A 32 ? 0.7399 0.5383 0.6230 0.0084 0.0404 0.1278 32 TYR A N 222 C CA . TYR A 32 ? 0.7435 0.5700 0.6453 0.0101 0.0369 0.1236 32 TYR A CA 223 C C . TYR A 32 ? 0.7065 0.5358 0.6027 0.0223 0.0295 0.1225 32 TYR A C 224 O O . TYR A 32 ? 0.7101 0.5286 0.5973 0.0292 0.0236 0.1234 32 TYR A O 225 C CB . TYR A 32 ? 0.7454 0.5866 0.6653 0.0034 0.0331 0.1181 32 TYR A CB 226 C CG . TYR A 32 ? 0.7135 0.5554 0.6380 -0.0128 0.0391 0.1188 32 TYR A CG 227 C CD1 . TYR A 32 ? 0.8169 0.6313 0.7259 -0.0206 0.0417 0.1185 32 TYR A CD1 228 C CD2 . TYR A 32 ? 0.8091 0.6795 0.7523 -0.0206 0.0432 0.1205 32 TYR A CD2 229 C CE1 . TYR A 32 ? 0.9134 0.7271 0.8236 -0.0392 0.0475 0.1183 32 TYR A CE1 230 C CE2 . TYR A 32 ? 0.8738 0.7505 0.8222 -0.0380 0.0479 0.1218 32 TYR A CE2 231 C CZ . TYR A 32 ? 0.9190 0.7667 0.8499 -0.0490 0.0496 0.1199 32 TYR A CZ 232 O OH . TYR A 32 ? 1.0065 0.8593 0.9397 -0.0699 0.0546 0.1203 32 TYR A OH 233 N N . TYR A 33 ? 0.6744 0.5178 0.5746 0.0248 0.0310 0.1211 33 TYR A N 234 C CA . TYR A 33 ? 0.7260 0.5733 0.6200 0.0324 0.0242 0.1187 33 TYR A CA 235 C C . TYR A 33 ? 0.7810 0.6395 0.6891 0.0352 0.0160 0.1135 33 TYR A C 236 O O . TYR A 33 ? 0.8086 0.6776 0.7334 0.0314 0.0168 0.1107 33 TYR A O 237 C CB . TYR A 33 ? 0.5625 0.4161 0.4533 0.0326 0.0303 0.1174 33 TYR A CB 238 C CG . TYR A 33 ? 0.6116 0.4522 0.4819 0.0311 0.0374 0.1217 33 TYR A CG 239 C CD1 . TYR A 33 ? 0.7292 0.5573 0.5913 0.0281 0.0415 0.1275 33 TYR A CD1 240 C CD2 . TYR A 33 ? 0.5960 0.4341 0.4519 0.0317 0.0411 0.1195 33 TYR A CD2 241 C CE1 . TYR A 33 ? 0.6426 0.4587 0.4846 0.0268 0.0484 0.1316 33 TYR A CE1 242 C CE2 . TYR A 33 ? 0.6021 0.4269 0.4361 0.0292 0.0481 0.1228 33 TYR A CE2 243 C CZ . TYR A 33 ? 0.6305 0.4456 0.4584 0.0273 0.0513 0.1291 33 TYR A CZ 244 O OH . TYR A 33 ? 0.8123 0.6140 0.6169 0.0249 0.0585 0.1326 33 TYR A OH 245 N N . MET A 34 ? 0.6756 0.5345 0.5769 0.0415 0.0080 0.1128 34 MET A N 246 C CA . MET A 34 ? 0.5856 0.4547 0.4983 0.0450 0.0006 0.1081 34 MET A CA 247 C C . MET A 34 ? 0.5840 0.4645 0.4959 0.0462 -0.0017 0.1043 34 MET A C 248 O O . MET A 34 ? 0.6173 0.4958 0.5137 0.0463 -0.0031 0.1059 34 MET A O 249 C CB . MET A 34 ? 0.5071 0.3691 0.4136 0.0518 -0.0056 0.1115 34 MET A CB 250 C CG . MET A 34 ? 0.9991 0.8699 0.9171 0.0558 -0.0119 0.1071 34 MET A CG 251 S SD . MET A 34 ? 1.0236 0.8888 0.9536 0.0498 -0.0089 0.1024 34 MET A SD 252 C CE . MET A 34 ? 0.9212 0.7579 0.8349 0.0515 -0.0038 0.1085 34 MET A CE 253 N N . HIS A 35 ? 0.6184 0.5098 0.5445 0.0459 -0.0017 0.0993 35 HIS A N 254 C CA . HIS A 35 ? 0.5705 0.4680 0.4938 0.0465 -0.0017 0.0952 35 HIS A CA 255 C C . HIS A 35 ? 0.5477 0.4544 0.4781 0.0496 -0.0106 0.0917 35 HIS A C 256 O O . HIS A 35 ? 0.5033 0.4127 0.4444 0.0519 -0.0149 0.0915 35 HIS A O 257 C CB . HIS A 35 ? 0.4739 0.3758 0.4060 0.0461 0.0077 0.0941 35 HIS A CB 258 C CG . HIS A 35 ? 0.6169 0.5115 0.5418 0.0442 0.0184 0.0981 35 HIS A CG 259 N ND1 . HIS A 35 ? 0.6184 0.5047 0.5295 0.0445 0.0280 0.0975 35 HIS A ND1 260 C CD2 . HIS A 35 ? 0.5339 0.4265 0.4619 0.0414 0.0224 0.1027 35 HIS A CD2 261 C CE1 . HIS A 35 ? 0.6515 0.5326 0.5590 0.0434 0.0375 0.1020 35 HIS A CE1 262 N NE2 . HIS A 35 ? 0.6502 0.5365 0.5688 0.0411 0.0338 0.1054 35 HIS A NE2 263 N N . TRP A 36 ? 0.4868 0.3966 0.4089 0.0483 -0.0123 0.0885 36 TRP A N 264 C CA . TRP A 36 ? 0.5988 0.5191 0.5272 0.0500 -0.0196 0.0850 36 TRP A CA 265 C C . TRP A 36 ? 0.6295 0.5501 0.5589 0.0484 -0.0142 0.0798 36 TRP A C 266 O O . TRP A 36 ? 0.5568 0.4682 0.4709 0.0441 -0.0073 0.0782 36 TRP A O 267 C CB . TRP A 36 ? 0.5457 0.4722 0.4622 0.0487 -0.0273 0.0870 36 TRP A CB 268 C CG . TRP A 36 ? 0.6107 0.5386 0.5288 0.0547 -0.0323 0.0939 36 TRP A CG 269 C CD1 . TRP A 36 ? 0.5686 0.4884 0.4757 0.0553 -0.0307 0.1001 36 TRP A CD1 270 C CD2 . TRP A 36 ? 0.6680 0.6023 0.5972 0.0624 -0.0375 0.0958 36 TRP A CD2 271 N NE1 . TRP A 36 ? 0.6158 0.5355 0.5261 0.0637 -0.0342 0.1065 36 TRP A NE1 272 C CE2 . TRP A 36 ? 0.6682 0.5960 0.5916 0.0684 -0.0379 0.1039 36 TRP A CE2 273 C CE3 . TRP A 36 ? 0.4543 0.3973 0.3961 0.0654 -0.0407 0.0919 36 TRP A CE3 274 C CZ2 . TRP A 36 ? 0.6230 0.5504 0.5517 0.0784 -0.0399 0.1084 36 TRP A CZ2 275 C CZ3 . TRP A 36 ? 0.5957 0.5398 0.5433 0.0743 -0.0435 0.0957 36 TRP A CZ3 276 C CH2 . TRP A 36 ? 0.6277 0.5631 0.5684 0.0812 -0.0424 0.1039 36 TRP A CH2 277 N N . VAL A 37 ? 0.5552 0.4838 0.5002 0.0519 -0.0160 0.0775 37 VAL A N 278 C CA . VAL A 37 ? 0.4363 0.3653 0.3836 0.0526 -0.0104 0.0741 37 VAL A CA 279 C C . VAL A 37 ? 0.4781 0.4161 0.4313 0.0534 -0.0179 0.0705 37 VAL A C 280 O O . VAL A 37 ? 0.5596 0.5056 0.5239 0.0564 -0.0250 0.0712 37 VAL A O 281 C CB . VAL A 37 ? 0.4806 0.4145 0.4431 0.0569 -0.0042 0.0768 37 VAL A CB 282 C CG1 . VAL A 37 ? 0.4619 0.3976 0.4275 0.0608 0.0019 0.0755 37 VAL A CG1 283 C CG2 . VAL A 37 ? 0.4699 0.3976 0.4280 0.0562 0.0044 0.0812 37 VAL A CG2 284 N N . ARG A 38 ? 0.4991 0.4334 0.4425 0.0503 -0.0149 0.0666 38 ARG A N 285 C CA . ARG A 38 ? 0.6079 0.5514 0.5569 0.0503 -0.0209 0.0634 38 ARG A CA 286 C C . ARG A 38 ? 0.6491 0.5887 0.6012 0.0532 -0.0136 0.0613 38 ARG A C 287 O O . ARG A 38 ? 0.5354 0.4640 0.4818 0.0553 -0.0028 0.0626 38 ARG A O 288 C CB . ARG A 38 ? 0.5728 0.5193 0.5074 0.0418 -0.0256 0.0612 38 ARG A CB 289 C CG . ARG A 38 ? 0.5160 0.4472 0.4291 0.0329 -0.0170 0.0569 38 ARG A CG 290 C CD . ARG A 38 ? 0.4370 0.3776 0.3383 0.0215 -0.0239 0.0544 38 ARG A CD 291 N NE . ARG A 38 ? 0.6160 0.5387 0.4924 0.0093 -0.0151 0.0486 38 ARG A NE 292 C CZ . ARG A 38 ? 0.6888 0.6174 0.5485 -0.0060 -0.0194 0.0455 38 ARG A CZ 293 N NH1 . ARG A 38 ? 0.6610 0.6182 0.5298 -0.0083 -0.0330 0.0497 38 ARG A NH1 294 N NH2 . ARG A 38 ? 0.5980 0.5042 0.4307 -0.0192 -0.0094 0.0390 38 ARG A NH2 295 N N . GLN A 39 ? 0.5996 0.5484 0.5605 0.0549 -0.0187 0.0591 39 GLN A N 296 C CA . GLN A 39 ? 0.5357 0.4828 0.5009 0.0592 -0.0129 0.0583 39 GLN A CA 297 C C . GLN A 39 ? 0.4409 0.3919 0.4036 0.0557 -0.0169 0.0541 39 GLN A C 298 O O . GLN A 39 ? 0.5302 0.4946 0.5046 0.0576 -0.0255 0.0537 39 GLN A O 299 C CB . GLN A 39 ? 0.5408 0.4996 0.5250 0.0664 -0.0151 0.0618 39 GLN A CB 300 C CG . GLN A 39 ? 0.5307 0.4922 0.5206 0.0726 -0.0091 0.0637 39 GLN A CG 301 C CD . GLN A 39 ? 0.5810 0.5585 0.5883 0.0769 -0.0117 0.0684 39 GLN A CD 302 O OE1 . GLN A 39 ? 0.4822 0.4677 0.4974 0.0740 -0.0204 0.0671 39 GLN A OE1 303 N NE2 . GLN A 39 ? 0.5014 0.4837 0.5133 0.0835 -0.0032 0.0746 39 GLN A NE2 304 N N . ALA A 40 ? 0.6911 0.6286 0.6369 0.0500 -0.0093 0.0508 40 ALA A N 305 C CA . ALA A 40 ? 0.7165 0.6572 0.6595 0.0454 -0.0113 0.0470 40 ALA A CA 306 C C . ALA A 40 ? 0.7885 0.7352 0.7462 0.0549 -0.0110 0.0485 40 ALA A C 307 O O . ALA A 40 ? 0.7900 0.7335 0.7533 0.0633 -0.0050 0.0524 40 ALA A O 308 C CB . ALA A 40 ? 0.5292 0.4484 0.4469 0.0354 -0.0007 0.0428 40 ALA A CB 309 N N . PRO A 41 ? 0.8984 0.8563 0.8625 0.0537 -0.0171 0.0462 41 PRO A N 310 C CA . PRO A 41 ? 0.8659 0.8303 0.8425 0.0619 -0.0177 0.0475 41 PRO A CA 311 C C . PRO A 41 ? 0.7534 0.7037 0.7227 0.0669 -0.0060 0.0496 41 PRO A C 312 O O . PRO A 41 ? 0.7903 0.7236 0.7422 0.0618 0.0029 0.0472 41 PRO A O 313 C CB . PRO A 41 ? 0.8563 0.8307 0.8349 0.0577 -0.0234 0.0441 41 PRO A CB 314 C CG . PRO A 41 ? 0.9233 0.8939 0.8867 0.0454 -0.0223 0.0412 41 PRO A CG 315 C CD . PRO A 41 ? 0.8903 0.8570 0.8494 0.0439 -0.0229 0.0430 41 PRO A CD 316 N N . GLY A 42 ? 0.7325 0.6901 0.7138 0.0766 -0.0052 0.0550 42 GLY A N 317 C CA . GLY A 42 ? 0.5619 0.5112 0.5394 0.0852 0.0064 0.0605 42 GLY A CA 318 C C . GLY A 42 ? 0.7041 0.6355 0.6686 0.0873 0.0191 0.0635 42 GLY A C 319 O O . GLY A 42 ? 0.7049 0.6239 0.6616 0.0959 0.0323 0.0687 42 GLY A O 320 N N . GLN A 43 ? 0.6728 0.6009 0.6332 0.0810 0.0170 0.0613 43 GLN A N 321 C CA . GLN A 43 ? 0.7219 0.6298 0.6664 0.0818 0.0301 0.0632 43 GLN A CA 322 C C . GLN A 43 ? 0.5902 0.5114 0.5486 0.0869 0.0283 0.0690 43 GLN A C 323 O O . GLN A 43 ? 0.5864 0.5309 0.5653 0.0889 0.0178 0.0715 43 GLN A O 324 C CB . GLN A 43 ? 0.8618 0.7516 0.7837 0.0672 0.0308 0.0553 43 GLN A CB 325 C CG . GLN A 43 ? 0.9662 0.8219 0.8589 0.0650 0.0492 0.0539 43 GLN A CG 326 C CD . GLN A 43 ? 1.1354 0.9759 1.0186 0.0694 0.0595 0.0543 43 GLN A CD 327 O OE1 . GLN A 43 ? 1.0380 0.8927 0.9320 0.0682 0.0508 0.0527 43 GLN A OE1 328 N NE2 . GLN A 43 ? 1.2357 1.0450 1.0971 0.0754 0.0798 0.0572 43 GLN A NE2 329 N N . GLY A 44 ? 0.6107 0.5149 0.5553 0.0876 0.0399 0.0708 44 GLY A N 330 C CA . GLY A 44 ? 0.5189 0.4339 0.4747 0.0922 0.0410 0.0770 44 GLY A CA 331 C C . GLY A 44 ? 0.6297 0.5483 0.5853 0.0818 0.0305 0.0725 44 GLY A C 332 O O . GLY A 44 ? 0.7462 0.6657 0.6981 0.0728 0.0199 0.0661 44 GLY A O 333 N N . LEU A 45 ? 0.7101 0.6322 0.6703 0.0843 0.0342 0.0775 45 LEU A N 334 C CA . LEU A 45 ? 0.6745 0.5997 0.6349 0.0765 0.0259 0.0755 45 LEU A CA 335 C C . LEU A 45 ? 0.7074 0.6085 0.6424 0.0708 0.0346 0.0727 45 LEU A C 336 O O . LEU A 45 ? 0.7495 0.6355 0.6734 0.0762 0.0502 0.0760 45 LEU A O 337 C CB . LEU A 45 ? 0.6216 0.5658 0.6016 0.0803 0.0244 0.0824 45 LEU A CB 338 C CG . LEU A 45 ? 0.5632 0.5318 0.5654 0.0819 0.0147 0.0845 45 LEU A CG 339 C CD1 . LEU A 45 ? 0.5614 0.5499 0.5804 0.0835 0.0163 0.0924 45 LEU A CD1 340 C CD2 . LEU A 45 ? 0.3961 0.3664 0.3997 0.0744 0.0005 0.0781 45 LEU A CD2 341 N N . GLU A 46 ? 0.6425 0.5406 0.5670 0.0604 0.0254 0.0675 46 GLU A N 342 C CA . GLU A 46 ? 0.6160 0.4935 0.5136 0.0518 0.0314 0.0642 46 GLU A CA 343 C C . GLU A 46 ? 0.6860 0.5708 0.5853 0.0477 0.0233 0.0661 46 GLU A C 344 O O . GLU A 46 ? 0.6697 0.5689 0.5772 0.0446 0.0095 0.0655 46 GLU A O 345 C CB . GLU A 46 ? 0.6860 0.5547 0.5647 0.0406 0.0283 0.0569 46 GLU A CB 346 C CG . GLU A 46 ? 0.8406 0.6881 0.6870 0.0276 0.0341 0.0525 46 GLU A CG 347 C CD . GLU A 46 ? 1.0358 0.8765 0.8624 0.0133 0.0319 0.0452 46 GLU A CD 348 O OE1 . GLU A 46 ? 1.0527 0.8701 0.8470 0.0004 0.0402 0.0402 46 GLU A OE1 349 O OE2 . GLU A 46 ? 1.1115 0.9697 0.9535 0.0138 0.0224 0.0442 46 GLU A OE2 350 N N . TRP A 47 ? 0.7247 0.5986 0.6156 0.0492 0.0332 0.0694 47 TRP A N 351 C CA . TRP A 47 ? 0.4789 0.3558 0.3683 0.0457 0.0281 0.0720 47 TRP A CA 352 C C . TRP A 47 ? 0.5832 0.4528 0.4489 0.0339 0.0221 0.0679 47 TRP A C 353 O O . TRP A 47 ? 0.6346 0.4865 0.4755 0.0262 0.0293 0.0630 47 TRP A O 354 C CB . TRP A 47 ? 0.4926 0.3593 0.3780 0.0503 0.0424 0.0768 47 TRP A CB 355 C CG . TRP A 47 ? 0.6476 0.5157 0.5311 0.0472 0.0393 0.0801 47 TRP A CG 356 C CD1 . TRP A 47 ? 0.6452 0.5288 0.5488 0.0496 0.0323 0.0847 47 TRP A CD1 357 C CD2 . TRP A 47 ? 0.6369 0.4876 0.4940 0.0402 0.0441 0.0792 47 TRP A CD2 358 N NE1 . TRP A 47 ? 0.6200 0.4962 0.5120 0.0456 0.0328 0.0873 47 TRP A NE1 359 C CE2 . TRP A 47 ? 0.6114 0.4691 0.4756 0.0402 0.0395 0.0843 47 TRP A CE2 360 C CE3 . TRP A 47 ? 0.6318 0.4596 0.4569 0.0324 0.0523 0.0742 47 TRP A CE3 361 C CZ2 . TRP A 47 ? 0.7049 0.5498 0.5472 0.0344 0.0423 0.0855 47 TRP A CZ2 362 C CZ3 . TRP A 47 ? 0.7097 0.5253 0.5119 0.0250 0.0546 0.0747 47 TRP A CZ3 363 C CH2 . TRP A 47 ? 0.7860 0.6114 0.5979 0.0269 0.0492 0.0807 47 TRP A CH2 364 N N . MET A 48 ? 0.5075 0.3906 0.3790 0.0320 0.0095 0.0705 48 MET A N 365 C CA . MET A 48 ? 0.6415 0.5266 0.4941 0.0217 0.0016 0.0693 48 MET A CA 366 C C . MET A 48 ? 0.6967 0.5752 0.5348 0.0187 0.0028 0.0734 48 MET A C 367 O O . MET A 48 ? 0.7149 0.5881 0.5281 0.0076 0.0018 0.0716 48 MET A O 368 C CB . MET A 48 ? 0.4811 0.3895 0.3495 0.0237 -0.0135 0.0713 48 MET A CB 369 C CG . MET A 48 ? 0.6174 0.5333 0.4981 0.0255 -0.0155 0.0671 48 MET A CG 370 S SD . MET A 48 ? 0.7066 0.6492 0.6032 0.0284 -0.0310 0.0702 48 MET A SD 371 C CE . MET A 48 ? 0.6803 0.6331 0.5538 0.0142 -0.0376 0.0707 48 MET A CE 372 N N . GLY A 49 ? 0.5989 0.4779 0.4503 0.0264 0.0049 0.0788 49 GLY A N 373 C CA . GLY A 49 ? 0.7014 0.5730 0.5388 0.0240 0.0069 0.0833 49 GLY A CA 374 C C . GLY A 49 ? 0.6483 0.5257 0.5043 0.0317 0.0045 0.0897 49 GLY A C 375 O O . GLY A 49 ? 0.7021 0.5895 0.5800 0.0376 0.0001 0.0901 49 GLY A O 376 N N . TRP A 50 ? 0.5413 0.4098 0.3853 0.0303 0.0081 0.0943 50 TRP A N 377 C CA . TRP A 50 ? 0.5616 0.4314 0.4180 0.0354 0.0069 0.1005 50 TRP A CA 378 C C . TRP A 50 ? 0.5914 0.4601 0.4333 0.0350 0.0004 0.1069 50 TRP A C 379 O O . TRP A 50 ? 0.5599 0.4287 0.3809 0.0294 -0.0025 0.1073 50 TRP A O 380 C CB . TRP A 50 ? 0.5290 0.3904 0.3904 0.0359 0.0198 0.1023 50 TRP A CB 381 C CG . TRP A 50 ? 0.5702 0.4168 0.4103 0.0321 0.0315 0.1029 50 TRP A CG 382 C CD1 . TRP A 50 ? 0.5585 0.3979 0.3953 0.0327 0.0449 0.1004 50 TRP A CD1 383 C CD2 . TRP A 50 ? 0.6683 0.5040 0.4871 0.0284 0.0329 0.1073 50 TRP A CD2 384 N NE1 . TRP A 50 ? 0.5900 0.4129 0.4034 0.0291 0.0550 0.1019 50 TRP A NE1 385 C CE2 . TRP A 50 ? 0.6204 0.4416 0.4225 0.0256 0.0472 0.1059 50 TRP A CE2 386 C CE3 . TRP A 50 ? 0.5827 0.4188 0.3936 0.0284 0.0245 0.1131 50 TRP A CE3 387 C CZ2 . TRP A 50 ? 0.6203 0.4274 0.3976 0.0210 0.0524 0.1090 50 TRP A CZ2 388 C CZ3 . TRP A 50 ? 0.7106 0.5346 0.4978 0.0245 0.0289 0.1172 50 TRP A CZ3 389 C CH2 . TRP A 50 ? 0.6261 0.4359 0.3965 0.0200 0.0423 0.1146 50 TRP A CH2 390 N N . ILE A 51 ? 0.5375 0.4051 0.3892 0.0405 -0.0017 0.1125 51 ILE A N 391 C CA . ILE A 51 ? 0.5717 0.4356 0.4108 0.0435 -0.0054 0.1211 51 ILE A CA 392 C C . ILE A 51 ? 0.6047 0.4534 0.4464 0.0445 0.0028 0.1252 51 ILE A C 393 O O . ILE A 51 ? 0.6043 0.4515 0.4630 0.0445 0.0062 0.1224 51 ILE A O 394 C CB . ILE A 51 ? 0.5976 0.4738 0.4428 0.0514 -0.0162 0.1256 51 ILE A CB 395 C CG1 . ILE A 51 ? 0.5700 0.4437 0.4004 0.0568 -0.0188 0.1371 51 ILE A CG1 396 C CG2 . ILE A 51 ? 0.5708 0.4439 0.4359 0.0569 -0.0154 0.1237 51 ILE A CG2 397 C CD1 . ILE A 51 ? 0.6341 0.5240 0.4687 0.0669 -0.0282 0.1444 51 ILE A CD1 398 N N . ASN A 52 ? 0.7476 0.5859 0.5710 0.0436 0.0061 0.1318 52 ASN A N 399 C CA . ASN A 52 ? 0.5985 0.4205 0.4201 0.0437 0.0140 0.1370 52 ASN A CA 400 C C . ASN A 52 ? 0.7618 0.5775 0.5798 0.0524 0.0092 0.1451 52 ASN A C 401 O O . ASN A 52 ? 0.8059 0.6246 0.6085 0.0574 0.0041 0.1529 52 ASN A O 402 C CB . ASN A 52 ? 0.6199 0.4316 0.4213 0.0389 0.0215 0.1403 52 ASN A CB 403 C CG . ASN A 52 ? 0.7524 0.5470 0.5507 0.0375 0.0308 0.1459 52 ASN A CG 404 O OD1 . ASN A 52 ? 0.9414 0.7276 0.7458 0.0404 0.0308 0.1491 52 ASN A OD1 405 N ND2 . ASN A 52 ? 0.8388 0.6254 0.6245 0.0322 0.0401 0.1472 52 ASN A ND2 406 N N . PRO A 53 A 0.7509 0.5579 0.5808 0.0546 0.0114 0.1444 52 PRO A N 407 C CA . PRO A 53 A 0.7047 0.5002 0.5279 0.0650 0.0098 0.1526 52 PRO A CA 408 C C . PRO A 53 A 0.7918 0.5676 0.5944 0.0680 0.0161 0.1632 52 PRO A C 409 O O . PRO A 53 A 0.8856 0.6543 0.6783 0.0801 0.0147 0.1733 52 PRO A O 410 C CB . PRO A 53 A 0.7358 0.5199 0.5718 0.0623 0.0138 0.1470 52 PRO A CB 411 C CG . PRO A 53 A 0.7510 0.5521 0.6050 0.0529 0.0127 0.1365 52 PRO A CG 412 C CD . PRO A 53 A 0.7613 0.5688 0.6094 0.0475 0.0158 0.1365 52 PRO A CD 413 N N . ASN A 54 ? 0.7708 0.5376 0.5664 0.0587 0.0239 0.1625 53 ASN A N 414 C CA . ASN A 54 ? 0.7404 0.4864 0.5150 0.0610 0.0308 0.1728 53 ASN A CA 415 C C . ASN A 54 ? 0.7497 0.5071 0.5071 0.0677 0.0241 0.1816 53 ASN A C 416 O O . ASN A 54 ? 0.8760 0.6239 0.6181 0.0781 0.0243 0.1940 53 ASN A O 417 C CB . ASN A 54 ? 0.7263 0.4614 0.4997 0.0483 0.0419 0.1696 53 ASN A CB 418 C CG . ASN A 54 ? 0.7582 0.4644 0.5134 0.0484 0.0519 0.1786 53 ASN A CG 419 O OD1 . ASN A 54 ? 0.9558 0.6443 0.7023 0.0573 0.0530 0.1853 53 ASN A OD1 420 N ND2 . ASN A 54 ? 0.7714 0.4709 0.5195 0.0392 0.0609 0.1792 53 ASN A ND2 421 N N . SER A 55 ? 0.6903 0.4679 0.4482 0.0615 0.0184 0.1758 54 SER A N 422 C CA . SER A 55 ? 0.8446 0.6350 0.5833 0.0626 0.0116 0.1823 54 SER A CA 423 C C . SER A 55 ? 0.8242 0.6429 0.5687 0.0660 -0.0019 0.1819 54 SER A C 424 O O . SER A 55 ? 0.7551 0.5893 0.4840 0.0674 -0.0097 0.1899 54 SER A O 425 C CB . SER A 55 ? 0.7467 0.5348 0.4733 0.0499 0.0171 0.1760 54 SER A CB 426 O OG . SER A 55 ? 0.6836 0.4817 0.4249 0.0431 0.0169 0.1634 54 SER A OG 427 N N . GLY A 56 ? 0.7613 0.5892 0.5273 0.0661 -0.0051 0.1731 55 GLY A N 428 C CA . GLY A 56 ? 0.7519 0.6071 0.5238 0.0662 -0.0167 0.1708 55 GLY A CA 429 C C . GLY A 56 ? 0.7770 0.6413 0.5403 0.0520 -0.0184 0.1612 55 GLY A C 430 O O . GLY A 56 ? 0.7115 0.5980 0.4763 0.0486 -0.0277 0.1588 55 GLY A O 431 N N . GLY A 57 ? 0.7340 0.5806 0.4868 0.0433 -0.0083 0.1561 56 GLY A N 432 C CA . GLY A 57 ? 0.6531 0.5008 0.3946 0.0308 -0.0061 0.1463 56 GLY A CA 433 C C . GLY A 57 ? 0.7603 0.6136 0.5214 0.0291 -0.0058 0.1355 56 GLY A C 434 O O . GLY A 57 ? 0.6350 0.4864 0.4191 0.0353 -0.0035 0.1336 56 GLY A O 435 N N . THR A 58 ? 0.6306 0.4898 0.3801 0.0193 -0.0079 0.1283 57 THR A N 436 C CA . THR A 58 ? 0.7655 0.6305 0.5302 0.0177 -0.0083 0.1190 57 THR A CA 437 C C . THR A 58 ? 0.7742 0.6239 0.5204 0.0069 0.0020 0.1096 57 THR A C 438 O O . THR A 58 ? 0.6840 0.5228 0.4019 -0.0020 0.0062 0.1095 57 THR A O 439 C CB . THR A 58 ? 0.7646 0.6547 0.5347 0.0176 -0.0225 0.1203 57 THR A CB 440 O OG1 . THR A 58 ? 0.6662 0.5658 0.4101 0.0061 -0.0287 0.1220 57 THR A OG1 441 C CG2 . THR A 58 ? 0.5903 0.4923 0.3779 0.0314 -0.0298 0.1303 57 THR A CG2 442 N N . ASN A 59 ? 0.6844 0.5318 0.4448 0.0081 0.0071 0.1021 58 ASN A N 443 C CA . ASN A 59 ? 0.6562 0.4860 0.3987 0.0002 0.0189 0.0935 58 ASN A CA 444 C C . ASN A 59 ? 0.7456 0.5837 0.5024 0.0007 0.0158 0.0872 58 ASN A C 445 O O . ASN A 59 ? 0.6872 0.5294 0.4701 0.0104 0.0185 0.0871 58 ASN A O 446 C CB . ASN A 59 ? 0.6855 0.4969 0.4305 0.0057 0.0360 0.0939 58 ASN A CB 447 C CG . ASN A 59 ? 0.7584 0.5463 0.4800 0.0001 0.0519 0.0869 58 ASN A CG 448 O OD1 . ASN A 59 ? 0.8180 0.5996 0.5186 -0.0102 0.0504 0.0802 58 ASN A OD1 449 N ND2 . ASN A 59 ? 0.7344 0.5084 0.4581 0.0066 0.0686 0.0888 58 ASN A ND2 450 N N . TYR A 60 ? 0.7474 0.5897 0.4863 -0.0110 0.0097 0.0824 59 TYR A N 451 C CA . TYR A 60 ? 0.6327 0.4832 0.3821 -0.0125 0.0061 0.0766 59 TYR A CA 452 C C . TYR A 60 ? 0.7233 0.5468 0.4547 -0.0177 0.0223 0.0680 59 TYR A C 453 O O . TYR A 60 ? 0.7112 0.5107 0.4115 -0.0264 0.0335 0.0648 59 TYR A O 454 C CB . TYR A 60 ? 0.6062 0.4787 0.3465 -0.0238 -0.0089 0.0767 59 TYR A CB 455 C CG . TYR A 60 ? 0.6366 0.5348 0.3887 -0.0175 -0.0231 0.0875 59 TYR A CG 456 C CD1 . TYR A 60 ? 0.6173 0.5249 0.3994 -0.0010 -0.0265 0.0936 59 TYR A CD1 457 C CD2 . TYR A 60 ? 0.7184 0.6304 0.4492 -0.0282 -0.0320 0.0922 59 TYR A CD2 458 C CE1 . TYR A 60 ? 0.6485 0.5741 0.4383 0.0068 -0.0364 0.1043 59 TYR A CE1 459 C CE2 . TYR A 60 ? 0.7110 0.6469 0.4522 -0.0194 -0.0435 0.1044 59 TYR A CE2 460 C CZ . TYR A 60 ? 0.6767 0.6169 0.4469 -0.0009 -0.0446 0.1105 59 TYR A CZ 461 O OH . TYR A 60 ? 0.6992 0.6578 0.4767 0.0096 -0.0533 0.1234 59 TYR A OH 462 N N . ALA A 61 ? 0.6516 0.4768 0.4006 -0.0117 0.0247 0.0646 60 ALA A N 463 C CA . ALA A 61 ? 0.8189 0.6181 0.5480 -0.0167 0.0396 0.0570 60 ALA A CA 464 C C . ALA A 61 ? 0.8183 0.6112 0.5138 -0.0378 0.0359 0.0500 60 ALA A C 465 O O . ALA A 61 ? 0.6964 0.5162 0.3970 -0.0455 0.0187 0.0513 60 ALA A O 466 C CB . ALA A 61 ? 0.6005 0.4065 0.3553 -0.0062 0.0409 0.0561 60 ALA A CB 467 N N . GLN A 62 ? 0.9140 0.6710 0.5734 -0.0476 0.0529 0.0429 61 GLN A N 468 C CA . GLN A 62 ? 0.7280 0.4746 0.3479 -0.0723 0.0510 0.0352 61 GLN A CA 469 C C . GLN A 62 ? 0.8625 0.6285 0.4889 -0.0825 0.0393 0.0312 61 GLN A C 470 O O . GLN A 62 ? 0.8905 0.6707 0.4976 -0.1032 0.0279 0.0286 61 GLN A O 471 C CB . GLN A 62 ? 0.8425 0.5392 0.4198 -0.0803 0.0752 0.0273 61 GLN A CB 472 C CG . GLN A 62 ? 1.1710 0.8498 0.7305 -0.0778 0.0852 0.0303 61 GLN A CG 473 C CD . GLN A 62 ? 1.3780 1.0063 0.8841 -0.0921 0.1074 0.0213 61 GLN A CD 474 O OE1 . GLN A 62 ? 1.4472 1.0617 0.9179 -0.1159 0.1067 0.0120 61 GLN A OE1 475 N NE2 . GLN A 62 ? 1.3133 0.9128 0.8117 -0.0783 0.1286 0.0239 61 GLN A NE2 476 N N . LYS A 63 ? 0.9308 0.7009 0.5841 -0.0691 0.0413 0.0314 62 LYS A N 477 C CA . LYS A 63 ? 0.8877 0.6763 0.5487 -0.0778 0.0312 0.0279 62 LYS A CA 478 C C . LYS A 63 ? 0.8559 0.6908 0.5352 -0.0826 0.0077 0.0339 62 LYS A C 479 O O . LYS A 63 ? 0.8983 0.7499 0.5676 -0.1004 -0.0015 0.0307 62 LYS A O 480 C CB . LYS A 63 ? 0.8032 0.5933 0.4952 -0.0588 0.0355 0.0295 62 LYS A CB 481 C CG . LYS A 63 ? 0.7906 0.5425 0.4608 -0.0607 0.0554 0.0226 62 LYS A CG 482 N N . PHE A 64 ? 0.8385 0.6946 0.5432 -0.0672 -0.0011 0.0433 63 PHE A N 483 C CA . PHE A 64 ? 0.7727 0.6715 0.4996 -0.0648 -0.0208 0.0515 63 PHE A CA 484 C C . PHE A 64 ? 0.8081 0.7210 0.5179 -0.0741 -0.0297 0.0573 63 PHE A C 485 O O . PHE A 64 ? 0.7792 0.7295 0.5047 -0.0716 -0.0453 0.0661 63 PHE A O 486 C CB . PHE A 64 ? 0.7349 0.6466 0.5012 -0.0406 -0.0244 0.0587 63 PHE A CB 487 C CG . PHE A 64 ? 0.8099 0.7125 0.5941 -0.0312 -0.0174 0.0544 63 PHE A CG 488 C CD1 . PHE A 64 ? 0.8210 0.7401 0.6151 -0.0348 -0.0238 0.0519 63 PHE A CD1 489 C CD2 . PHE A 64 ? 0.8276 0.7077 0.6188 -0.0188 -0.0043 0.0538 63 PHE A CD2 490 C CE1 . PHE A 64 ? 0.8544 0.7648 0.6632 -0.0261 -0.0173 0.0485 63 PHE A CE1 491 C CE2 . PHE A 64 ? 0.7291 0.6044 0.5364 -0.0098 0.0016 0.0514 63 PHE A CE2 492 C CZ . PHE A 64 ? 0.7961 0.6850 0.6111 -0.0134 -0.0050 0.0485 63 PHE A CZ 493 N N . GLN A 65 ? 0.7790 0.6635 0.4564 -0.0836 -0.0193 0.0536 64 GLN A N 494 C CA . GLN A 65 ? 0.8150 0.7117 0.4702 -0.0957 -0.0274 0.0585 64 GLN A CA 495 C C . GLN A 65 ? 0.8343 0.7676 0.4820 -0.1145 -0.0435 0.0600 64 GLN A C 496 O O . GLN A 65 ? 1.0460 0.9720 0.6744 -0.1339 -0.0408 0.0506 64 GLN A O 497 C CB . GLN A 65 ? 0.7228 0.5782 0.3356 -0.1091 -0.0115 0.0508 64 GLN A CB 498 C CG . GLN A 65 ? 0.9951 0.8330 0.6101 -0.0942 -0.0029 0.0561 64 GLN A CG 499 C CD . GLN A 65 ? 0.8739 0.7399 0.4931 -0.0914 -0.0171 0.0678 64 GLN A CD 500 O OE1 . GLN A 65 ? 0.8255 0.7173 0.4301 -0.1067 -0.0307 0.0709 64 GLN A OE1 501 N NE2 . GLN A 65 ? 0.8539 0.7162 0.4926 -0.0722 -0.0138 0.0753 64 GLN A NE2 502 N N . GLY A 66 ? 0.7715 0.7447 0.4338 -0.1089 -0.0596 0.0729 65 GLY A N 503 C CA . GLY A 66 ? 0.7929 0.8114 0.4542 -0.1235 -0.0763 0.0784 65 GLY A CA 504 C C . GLY A 66 ? 0.8256 0.8804 0.5271 -0.1084 -0.0863 0.0855 65 GLY A C 505 O O . GLY A 66 ? 0.9447 1.0467 0.6572 -0.1090 -0.1015 0.0973 65 GLY A O 506 N N . ARG A 67 ? 0.6601 0.6952 0.3831 -0.0943 -0.0776 0.0797 66 ARG A N 507 C CA . ARG A 67 ? 0.7036 0.7679 0.4628 -0.0793 -0.0852 0.0855 66 ARG A CA 508 C C . ARG A 67 ? 0.7930 0.8549 0.5817 -0.0504 -0.0841 0.0941 66 ARG A C 509 O O . ARG A 67 ? 0.8763 0.9685 0.6907 -0.0364 -0.0925 0.1039 66 ARG A O 510 C CB . ARG A 67 ? 0.8390 0.8863 0.6015 -0.0846 -0.0773 0.0736 66 ARG A CB 511 C CG . ARG A 67 ? 0.8295 0.8728 0.5606 -0.1147 -0.0759 0.0636 66 ARG A CG 512 C CD . ARG A 67 ? 0.7580 0.8061 0.5013 -0.1182 -0.0745 0.0576 66 ARG A CD 513 N NE . ARG A 67 ? 0.8093 0.8169 0.5587 -0.1052 -0.0595 0.0496 66 ARG A NE 514 C CZ . ARG A 67 ? 0.7536 0.7676 0.5353 -0.0856 -0.0597 0.0519 66 ARG A CZ 515 N NH1 . ARG A 67 ? 0.7323 0.7871 0.5422 -0.0756 -0.0723 0.0612 66 ARG A NH1 516 N NH2 . ARG A 67 ? 0.6901 0.6701 0.4746 -0.0756 -0.0464 0.0455 66 ARG A NH2 517 N N . VAL A 68 ? 0.7197 0.7458 0.5040 -0.0420 -0.0729 0.0908 67 VAL A N 518 C CA . VAL A 68 ? 0.7175 0.7365 0.5268 -0.0185 -0.0703 0.0968 67 VAL A CA 519 C C . VAL A 68 ? 0.7220 0.7468 0.5256 -0.0115 -0.0740 0.1084 67 VAL A C 520 O O . VAL A 68 ? 0.8007 0.8194 0.5781 -0.0238 -0.0734 0.1085 67 VAL A O 521 C CB . VAL A 68 ? 0.7262 0.7079 0.5377 -0.0134 -0.0559 0.0877 67 VAL A CB 522 C CG1 . VAL A 68 ? 0.6709 0.6255 0.4569 -0.0205 -0.0463 0.0850 67 VAL A CG1 523 C CG2 . VAL A 68 ? 0.7308 0.7102 0.5702 0.0069 -0.0546 0.0923 67 VAL A CG2 524 N N . THR A 69 ? 0.6712 0.7053 0.4967 0.0083 -0.0769 0.1184 68 THR A N 525 C CA . THR A 69 ? 0.7061 0.7391 0.5274 0.0187 -0.0777 0.1302 68 THR A CA 526 C C . THR A 69 ? 0.7640 0.7780 0.6050 0.0376 -0.0709 0.1324 68 THR A C 527 O O . THR A 69 ? 0.7398 0.7647 0.6009 0.0494 -0.0734 0.1355 68 THR A O 528 C CB . THR A 69 ? 0.6550 0.7282 0.4770 0.0222 -0.0902 0.1452 68 THR A CB 529 O OG1 . THR A 69 ? 0.7937 0.8895 0.5983 0.0006 -0.0979 0.1421 68 THR A OG1 530 C CG2 . THR A 69 ? 0.5708 0.6393 0.3824 0.0316 -0.0898 0.1578 68 THR A CG2 531 N N . MET A 70 ? 0.7127 0.6979 0.5463 0.0390 -0.0618 0.1307 69 MET A N 532 C CA . MET A 70 ? 0.5316 0.4974 0.3795 0.0527 -0.0550 0.1325 69 MET A CA 533 C C . MET A 70 ? 0.6850 0.6466 0.5246 0.0625 -0.0546 0.1457 69 MET A C 534 O O . MET A 70 ? 0.6770 0.6347 0.4972 0.0561 -0.0539 0.1490 69 MET A O 535 C CB . MET A 70 ? 0.5275 0.4667 0.3756 0.0472 -0.0440 0.1223 69 MET A CB 536 C CG . MET A 70 ? 0.5123 0.4523 0.3679 0.0405 -0.0422 0.1109 69 MET A CG 537 S SD . MET A 70 ? 0.7022 0.6166 0.5567 0.0361 -0.0282 0.1027 69 MET A SD 538 C CE . MET A 70 ? 0.6238 0.5425 0.4854 0.0314 -0.0271 0.0925 69 MET A CE 539 N N . THR A 71 ? 0.5478 0.5076 0.3997 0.0782 -0.0539 0.1532 70 THR A N 540 C CA . THR A 71 ? 0.5682 0.5185 0.4121 0.0905 -0.0511 0.1666 70 THR A CA 541 C C . THR A 71 ? 0.6562 0.5780 0.5091 0.0994 -0.0415 0.1648 70 THR A C 542 O O . THR A 71 ? 0.6341 0.5495 0.5004 0.0960 -0.0392 0.1541 70 THR A O 543 C CB . THR A 71 ? 0.5766 0.5572 0.4210 0.1027 -0.0595 0.1821 70 THR A CB 544 O OG1 . THR A 71 ? 0.8104 0.8054 0.6738 0.1108 -0.0622 0.1812 70 THR A OG1 545 C CG2 . THR A 71 ? 0.5821 0.5928 0.4140 0.0900 -0.0697 0.1846 70 THR A CG2 546 N N . ARG A 72 ? 0.5905 0.4941 0.4335 0.1099 -0.0356 0.1756 71 ARG A N 547 C CA . ARG A 72 ? 0.6874 0.5607 0.5338 0.1167 -0.0256 0.1744 71 ARG A CA 548 C C . ARG A 72 ? 0.7054 0.5656 0.5389 0.1336 -0.0205 0.1907 71 ARG A C 549 O O . ARG A 72 ? 0.6931 0.5647 0.5145 0.1377 -0.0237 0.2024 71 ARG A O 550 C CB . ARG A 72 ? 0.7047 0.5528 0.5488 0.1032 -0.0174 0.1642 71 ARG A CB 551 C CG . ARG A 72 ? 0.6968 0.5227 0.5228 0.1030 -0.0098 0.1718 71 ARG A CG 552 C CD . ARG A 72 ? 0.6273 0.4670 0.4419 0.0956 -0.0139 0.1739 71 ARG A CD 553 N NE . ARG A 72 ? 0.7838 0.6014 0.5801 0.0963 -0.0061 0.1819 71 ARG A NE 554 C CZ . ARG A 72 ? 0.8305 0.6533 0.6103 0.1037 -0.0085 0.1954 71 ARG A CZ 555 N NH1 . ARG A 72 ? 0.8475 0.7010 0.6273 0.1102 -0.0195 0.2027 71 ARG A NH1 556 N NH2 . ARG A 72 ? 0.8151 0.6147 0.5779 0.1038 0.0000 0.2021 71 ARG A NH2 557 N N . ASP A 73 ? 0.7981 0.6326 0.6322 0.1434 -0.0115 0.1918 72 ASP A N 558 C CA . ASP A 73 ? 0.8297 0.6400 0.6484 0.1607 -0.0019 0.2067 72 ASP A CA 559 C C . ASP A 73 ? 0.8730 0.6370 0.6810 0.1527 0.0116 0.1994 72 ASP A C 560 O O . ASP A 73 ? 0.9387 0.6846 0.7513 0.1502 0.0170 0.1905 72 ASP A O 561 C CB . ASP A 73 ? 0.9295 0.7484 0.7544 0.1813 -0.0010 0.2162 72 ASP A CB 562 C CG . ASP A 73 ? 1.1654 0.9631 0.9727 0.2036 0.0097 0.2356 72 ASP A CG 563 O OD1 . ASP A 73 ? 1.1803 0.9456 0.9688 0.2011 0.0187 0.2388 72 ASP A OD1 564 O OD2 . ASP A 73 ? 1.3473 1.1607 1.1592 0.2245 0.0101 0.2486 72 ASP A OD2 565 N N . THR A 74 ? 0.8319 0.5777 0.6243 0.1471 0.0172 0.2033 73 THR A N 566 C CA . THR A 74 ? 0.8844 0.5898 0.6665 0.1353 0.0297 0.1962 73 THR A CA 567 C C . THR A 74 ? 0.9918 0.6565 0.7586 0.1472 0.0435 0.2017 73 THR A C 568 O O . THR A 74 ? 1.1065 0.7403 0.8679 0.1345 0.0527 0.1917 73 THR A O 569 C CB . THR A 74 ? 0.8599 0.5556 0.6276 0.1278 0.0335 0.2008 73 THR A CB 570 O OG1 . THR A 74 ? 0.9264 0.6256 0.6796 0.1455 0.0332 0.2188 73 THR A OG1 571 C CG2 . THR A 74 ? 0.7170 0.4418 0.4968 0.1118 0.0244 0.1913 73 THR A CG2 572 N N . SER A 75 ? 0.9623 0.6264 0.7207 0.1711 0.0461 0.2180 74 SER A N 573 C CA . SER A 75 ? 1.0833 0.7023 0.8225 0.1852 0.0628 0.2248 74 SER A CA 574 C C . SER A 75 ? 1.1601 0.7693 0.9071 0.1837 0.0656 0.2134 74 SER A C 575 O O . SER A 75 ? 1.2208 0.7824 0.9481 0.1858 0.0815 0.2122 74 SER A O 576 C CB . SER A 75 ? 1.0945 0.7220 0.8259 0.2133 0.0653 0.2464 74 SER A CB 577 O OG . SER A 75 ? 1.0845 0.7646 0.8380 0.2239 0.0509 0.2512 74 SER A OG 578 N N . ILE A 76 ? 1.1009 0.7510 0.8730 0.1792 0.0515 0.2048 75 ILE A N 579 C CA . ILE A 76 ? 0.9411 0.5854 0.7214 0.1756 0.0528 0.1929 75 ILE A CA 580 C C . ILE A 76 ? 0.9989 0.6621 0.7970 0.1502 0.0429 0.1743 75 ILE A C 581 O O . ILE A 76 ? 1.0342 0.7019 0.8424 0.1455 0.0407 0.1639 75 ILE A O 582 C CB . ILE A 76 ? 0.9003 0.5742 0.6938 0.1972 0.0476 0.2016 75 ILE A CB 583 C CG1 . ILE A 76 ? 0.9329 0.6648 0.7498 0.1936 0.0287 0.2020 75 ILE A CG1 584 C CG2 . ILE A 76 ? 0.8018 0.4597 0.5788 0.2254 0.0589 0.2228 75 ILE A CG2 585 C CD1 . ILE A 76 ? 0.7431 0.5110 0.5749 0.2119 0.0224 0.2110 75 ILE A CD1 586 N N . SER A 77 ? 1.0296 0.7042 0.8310 0.1350 0.0380 0.1709 76 SER A N 587 C CA . SER A 77 ? 0.9382 0.6290 0.7552 0.1127 0.0313 0.1558 76 SER A CA 588 C C . SER A 77 ? 0.8077 0.5366 0.6475 0.1134 0.0189 0.1492 76 SER A C 589 O O . SER A 77 ? 0.8819 0.6147 0.7324 0.1018 0.0169 0.1373 76 SER A O 590 C CB . SER A 77 ? 1.0146 0.6725 0.8228 0.0963 0.0409 0.1453 76 SER A CB 591 O OG . SER A 77 ? 1.2078 0.8248 0.9910 0.0954 0.0545 0.1514 76 SER A OG 592 N N . THR A 78 ? 0.7377 0.4961 0.5842 0.1261 0.0104 0.1576 77 THR A N 593 C CA . THR A 78 ? 0.7652 0.5580 0.6306 0.1277 -0.0003 0.1530 77 THR A CA 594 C C . THR A 78 ? 0.7296 0.5552 0.6019 0.1217 -0.0107 0.1534 77 THR A C 595 O O . THR A 78 ? 0.6836 0.5156 0.5463 0.1272 -0.0122 0.1640 77 THR A O 596 C CB . THR A 78 ? 0.7569 0.5562 0.6228 0.1483 0.0001 0.1629 77 THR A CB 597 O OG1 . THR A 78 ? 0.9011 0.6624 0.7551 0.1544 0.0127 0.1624 77 THR A OG1 598 C CG2 . THR A 78 ? 0.6603 0.4941 0.5457 0.1475 -0.0101 0.1572 77 THR A CG2 599 N N . ALA A 79 ? 0.6068 0.4510 0.4931 0.1102 -0.0168 0.1421 78 ALA A N 600 C CA . ALA A 79 ? 0.5812 0.4513 0.4709 0.1028 -0.0247 0.1403 78 ALA A CA 601 C C . ALA A 79 ? 0.6758 0.5750 0.5765 0.1069 -0.0335 0.1397 78 ALA A C 602 O O . ALA A 79 ? 0.7600 0.6603 0.6711 0.1106 -0.0335 0.1354 78 ALA A O 603 C CB . ALA A 79 ? 0.5259 0.3932 0.4210 0.0874 -0.0226 0.1291 78 ALA A CB 604 N N . TYR A 80 ? 0.5903 0.5133 0.4872 0.1046 -0.0408 0.1440 79 TYR A N 605 C CA . TYR A 80 ? 0.5069 0.4608 0.4123 0.1064 -0.0495 0.1451 79 TYR A CA 606 C C . TYR A 80 ? 0.6633 0.6312 0.5665 0.0903 -0.0543 0.1364 79 TYR A C 607 O O . TYR A 80 ? 0.6420 0.6043 0.5317 0.0815 -0.0531 0.1359 79 TYR A O 608 C CB . TYR A 80 ? 0.5213 0.4967 0.4223 0.1188 -0.0543 0.1612 79 TYR A CB 609 C CG . TYR A 80 ? 0.7245 0.6826 0.6241 0.1380 -0.0469 0.1721 79 TYR A CG 610 C CD1 . TYR A 80 ? 0.7086 0.6481 0.5930 0.1451 -0.0412 0.1825 79 TYR A CD1 611 C CD2 . TYR A 80 ? 0.7230 0.6799 0.6335 0.1493 -0.0438 0.1721 79 TYR A CD2 612 C CE1 . TYR A 80 ? 0.7972 0.7148 0.6763 0.1634 -0.0318 0.1928 79 TYR A CE1 613 C CE2 . TYR A 80 ? 0.7970 0.7322 0.7019 0.1675 -0.0343 0.1819 79 TYR A CE2 614 C CZ . TYR A 80 ? 0.8222 0.7364 0.7108 0.1746 -0.0278 0.1923 79 TYR A CZ 615 O OH . TYR A 80 ? 0.8721 0.7586 0.7514 0.1932 -0.0158 0.2022 79 TYR A OH 616 N N . MET A 81 ? 0.5447 0.5276 0.4588 0.0865 -0.0581 0.1295 80 MET A N 617 C CA . MET A 81 ? 0.5397 0.5341 0.4489 0.0716 -0.0615 0.1217 80 MET A CA 618 C C . MET A 81 ? 0.5645 0.5919 0.4788 0.0716 -0.0705 0.1259 80 MET A C 619 O O . MET A 81 ? 0.6955 0.7322 0.6246 0.0809 -0.0716 0.1273 80 MET A O 620 C CB . MET A 81 ? 0.5780 0.5574 0.4945 0.0656 -0.0559 0.1091 80 MET A CB 621 C CG . MET A 81 ? 0.7508 0.7292 0.6564 0.0510 -0.0544 0.1008 80 MET A CG 622 S SD . MET A 81 ? 0.8694 0.8733 0.7757 0.0427 -0.0618 0.0976 80 MET A SD 623 C CE . MET A 81 ? 0.7724 0.7779 0.7021 0.0532 -0.0612 0.0942 80 MET A CE 624 N N . GLU A 82 ? 0.5764 0.6224 0.4774 0.0603 -0.0765 0.1284 81 GLU A N 625 C CA . GLU A 82 ? 0.6762 0.7590 0.5809 0.0559 -0.0858 0.1328 81 GLU A CA 626 C C . GLU A 82 ? 0.6167 0.7005 0.5075 0.0337 -0.0869 0.1214 81 GLU A C 627 O O . GLU A 82 ? 0.6348 0.7050 0.5045 0.0214 -0.0846 0.1178 81 GLU A O 628 C CB . GLU A 82 ? 0.7504 0.8617 0.6501 0.0617 -0.0934 0.1491 81 GLU A CB 629 C CG . GLU A 82 ? 0.9069 1.0631 0.8080 0.0516 -0.1042 0.1539 81 GLU A CG 630 C CD . GLU A 82 ? 1.0886 1.2814 0.9909 0.0620 -0.1121 0.1738 81 GLU A CD 631 O OE1 . GLU A 82 ? 1.0701 1.2492 0.9728 0.0804 -0.1077 0.1841 81 GLU A OE1 632 O OE2 . GLU A 82 ? 1.2300 1.4661 1.1320 0.0513 -0.1224 0.1798 81 GLU A OE2 633 N N . LEU A 83 ? 0.6041 0.7000 0.5041 0.0285 -0.0886 0.1154 82 LEU A N 634 C CA . LEU A 83 ? 0.5778 0.6724 0.4627 0.0069 -0.0882 0.1047 82 LEU A CA 635 C C . LEU A 83 ? 0.6376 0.7755 0.5242 -0.0027 -0.0990 0.1106 82 LEU A C 636 O O . LEU A 83 ? 0.6811 0.8448 0.5895 0.0096 -0.1034 0.1180 82 LEU A O 637 C CB . LEU A 83 ? 0.4795 0.5506 0.3717 0.0072 -0.0798 0.0928 82 LEU A CB 638 C CG . LEU A 83 ? 0.6674 0.7223 0.5383 -0.0132 -0.0743 0.0809 82 LEU A CG 639 C CD1 . LEU A 83 ? 0.6080 0.6358 0.4539 -0.0214 -0.0672 0.0775 82 LEU A CD1 640 C CD2 . LEU A 83 ? 0.5988 0.6348 0.4791 -0.0095 -0.0662 0.0721 82 LEU A CD2 641 N N . SER A 84 A 0.7005 0.8474 0.5635 -0.0250 -0.1028 0.1080 82 SER A N 642 C CA . SER A 84 A 0.7949 0.9891 0.6578 -0.0380 -0.1145 0.1149 82 SER A CA 643 C C . SER A 84 A 0.7734 0.9614 0.6168 -0.0657 -0.1125 0.1013 82 SER A C 644 O O . SER A 84 A 0.7862 0.9308 0.6111 -0.0745 -0.1012 0.0878 82 SER A O 645 C CB . SER A 84 A 0.8298 1.0501 0.6797 -0.0424 -0.1236 0.1273 82 SER A CB 646 O OG . SER A 84 A 0.9231 1.1228 0.7383 -0.0668 -0.1213 0.1179 82 SER A OG 647 N N . ARG A 85 B 0.7776 1.0101 0.6250 -0.0791 -0.1224 0.1060 82 ARG A N 648 C CA . ARG A 85 B 0.7082 0.9392 0.5368 -0.1079 -0.1209 0.0941 82 ARG A CA 649 C C . ARG A 85 B 0.7271 0.9191 0.5610 -0.1028 -0.1083 0.0811 82 ARG A C 650 O O . ARG A 85 B 0.7264 0.8765 0.5345 -0.1174 -0.0972 0.0674 82 ARG A O 651 C CB . ARG A 85 B 0.6608 0.8726 0.4477 -0.1359 -0.1192 0.0861 82 ARG A CB 652 C CG . ARG A 85 B 0.6563 0.9191 0.4356 -0.1498 -0.1344 0.0984 82 ARG A CG 653 C CD . ARG A 85 B 0.8879 1.1282 0.6223 -0.1778 -0.1323 0.0901 82 ARG A CD 654 N NE . ARG A 85 B 1.0875 1.3079 0.8157 -0.1623 -0.1300 0.0956 82 ARG A NE 655 C CZ . ARG A 85 B 1.2249 1.3884 0.9294 -0.1630 -0.1158 0.0843 82 ARG A CZ 656 N NH1 . ARG A 85 B 1.2915 1.4105 0.9749 -0.1768 -0.1018 0.0676 82 ARG A NH1 657 N NH2 . ARG A 85 B 1.2483 1.3994 0.9493 -0.1491 -0.1145 0.0907 82 ARG A NH2 658 N N . LEU A 86 C 0.7283 0.9350 0.5948 -0.0810 -0.1093 0.0867 82 LEU A N 659 C CA . LEU A 86 C 0.7501 0.9225 0.6258 -0.0703 -0.0984 0.0774 82 LEU A CA 660 C C . LEU A 86 C 0.8146 0.9814 0.6781 -0.0915 -0.0941 0.0666 82 LEU A C 661 O O . LEU A 86 C 0.8032 1.0074 0.6665 -0.1083 -0.1019 0.0695 82 LEU A O 662 C CB . LEU A 86 C 0.7274 0.9167 0.6377 -0.0428 -0.1007 0.0863 82 LEU A CB 663 C CG . LEU A 86 C 0.7423 0.9148 0.6640 -0.0182 -0.0984 0.0923 82 LEU A CG 664 C CD1 . LEU A 86 C 0.9171 1.1143 0.8357 -0.0158 -0.1065 0.1048 82 LEU A CD1 665 C CD2 . LEU A 86 C 0.7884 0.9655 0.7374 0.0050 -0.0969 0.0969 82 LEU A CD2 666 N N . ARG A 87 ? 0.8113 0.9319 0.6643 -0.0906 -0.0808 0.0552 83 ARG A N 667 C CA . ARG A 87 ? 0.8107 0.9146 0.6512 -0.1060 -0.0729 0.0449 83 ARG A CA 668 C C . ARG A 87 ? 0.8508 0.9398 0.7140 -0.0842 -0.0666 0.0436 83 ARG A C 669 O O . ARG A 87 ? 0.8266 0.9124 0.7100 -0.0607 -0.0672 0.0488 83 ARG A O 670 C CB . ARG A 87 ? 0.9398 0.9970 0.7400 -0.1253 -0.0601 0.0332 83 ARG A CB 671 C CG . ARG A 87 ? 1.1613 1.2218 0.9358 -0.1422 -0.0644 0.0340 83 ARG A CG 672 C CD . ARG A 87 ? 1.3701 1.3798 1.0996 -0.1633 -0.0491 0.0213 83 ARG A CD 673 N NE . ARG A 87 ? 1.4303 1.3928 1.1563 -0.1442 -0.0339 0.0180 83 ARG A NE 674 C CZ . ARG A 87 ? 1.4345 1.3761 1.1463 -0.1401 -0.0291 0.0186 83 ARG A CZ 675 N NH1 . ARG A 87 ? 1.4328 1.3365 1.1447 -0.1223 -0.0148 0.0168 83 ARG A NH1 676 N NH2 . ARG A 87 ? 1.3719 1.3329 1.0696 -0.1538 -0.0387 0.0219 83 ARG A NH2 677 N N . SER A 88 ? 0.8566 0.9354 0.7142 -0.0936 -0.0601 0.0367 84 SER A N 678 C CA . SER A 88 ? 0.7815 0.8505 0.6599 -0.0744 -0.0552 0.0362 84 SER A CA 679 C C . SER A 88 ? 0.7217 0.7493 0.5963 -0.0589 -0.0443 0.0329 84 SER A C 680 O O . SER A 88 ? 0.6705 0.6982 0.5677 -0.0378 -0.0447 0.0364 84 SER A O 681 C CB . SER A 88 ? 0.7203 0.7860 0.5908 -0.0887 -0.0497 0.0299 84 SER A CB 682 O OG . SER A 88 ? 0.9612 0.9999 0.7950 -0.1141 -0.0412 0.0210 84 SER A OG 683 N N . ASP A 89 ? 0.7320 0.7253 0.5775 -0.0696 -0.0342 0.0270 85 ASP A N 684 C CA . ASP A 89 ? 0.7243 0.6821 0.5661 -0.0549 -0.0228 0.0257 85 ASP A CA 685 C C . ASP A 89 ? 0.7159 0.6817 0.5713 -0.0407 -0.0285 0.0323 85 ASP A C 686 O O . ASP A 89 ? 0.7313 0.6719 0.5828 -0.0310 -0.0195 0.0322 85 ASP A O 687 C CB . ASP A 89 ? 0.8998 0.8156 0.7036 -0.0698 -0.0071 0.0179 85 ASP A CB 688 C CG . ASP A 89 ? 1.1514 1.0673 0.9298 -0.0891 -0.0099 0.0161 85 ASP A CG 689 O OD1 . ASP A 89 ? 1.1356 1.0134 0.8837 -0.0956 0.0037 0.0111 85 ASP A OD1 690 O OD2 . ASP A 89 ? 1.3593 1.3138 1.1470 -0.0972 -0.0251 0.0203 85 ASP A OD2 691 N N . ASP A 90 ? 0.6890 0.6893 0.5596 -0.0390 -0.0422 0.0390 86 ASP A N 692 C CA . ASP A 90 ? 0.6660 0.6736 0.5529 -0.0225 -0.0472 0.0462 86 ASP A CA 693 C C . ASP A 90 ? 0.6747 0.6930 0.5904 -0.0031 -0.0504 0.0501 86 ASP A C 694 O O . ASP A 90 ? 0.7140 0.7344 0.6423 0.0103 -0.0532 0.0554 86 ASP A O 695 C CB . ASP A 90 ? 0.7081 0.7441 0.5933 -0.0285 -0.0585 0.0530 86 ASP A CB 696 C CG . ASP A 90 ? 0.8793 0.9007 0.7336 -0.0462 -0.0553 0.0497 86 ASP A CG 697 O OD1 . ASP A 90 ? 1.0151 1.0009 0.8539 -0.0458 -0.0435 0.0445 86 ASP A OD1 698 O OD2 . ASP A 90 ? 0.9142 0.9608 0.7590 -0.0604 -0.0642 0.0529 86 ASP A OD2 699 N N . THR A 91 ? 0.6653 0.6883 0.5891 -0.0027 -0.0493 0.0473 87 THR A N 700 C CA . THR A 91 ? 0.6091 0.6378 0.5558 0.0140 -0.0509 0.0496 87 THR A CA 701 C C . THR A 91 ? 0.6019 0.6066 0.5513 0.0247 -0.0438 0.0484 87 THR A C 702 O O . THR A 91 ? 0.7289 0.7128 0.6684 0.0224 -0.0346 0.0441 87 THR A O 703 C CB . THR A 91 ? 0.6447 0.6796 0.5951 0.0105 -0.0495 0.0461 87 THR A CB 704 O OG1 . THR A 91 ? 0.7017 0.7675 0.6555 0.0021 -0.0572 0.0493 87 THR A OG1 705 C CG2 . THR A 91 ? 0.3684 0.4029 0.3377 0.0266 -0.0492 0.0472 87 THR A CG2 706 N N . ALA A 92 ? 0.5255 0.5334 0.4875 0.0363 -0.0474 0.0530 88 ALA A N 707 C CA . ALA A 92 ? 0.5530 0.5440 0.5187 0.0441 -0.0418 0.0529 88 ALA A CA 708 C C . ALA A 92 ? 0.5266 0.5235 0.5062 0.0544 -0.0467 0.0572 88 ALA A C 709 O O . ALA A 92 ? 0.5175 0.5276 0.5013 0.0574 -0.0527 0.0612 88 ALA A O 710 C CB . ALA A 92 ? 0.6173 0.5916 0.5674 0.0388 -0.0352 0.0524 88 ALA A CB 711 N N . VAL A 93 ? 0.4441 0.4311 0.4296 0.0596 -0.0431 0.0571 89 VAL A N 712 C CA . VAL A 93 ? 0.5490 0.5344 0.5418 0.0656 -0.0453 0.0602 89 VAL A CA 713 C C . VAL A 93 ? 0.6274 0.6049 0.6124 0.0631 -0.0431 0.0632 89 VAL A C 714 O O . VAL A 93 ? 0.5981 0.5676 0.5771 0.0597 -0.0371 0.0623 89 VAL A O 715 C CB . VAL A 93 ? 0.5574 0.5397 0.5592 0.0687 -0.0433 0.0586 89 VAL A CB 716 C CG1 . VAL A 93 ? 0.4118 0.3882 0.4163 0.0704 -0.0440 0.0609 89 VAL A CG1 717 C CG2 . VAL A 93 ? 0.4755 0.4645 0.4832 0.0715 -0.0458 0.0559 89 VAL A CG2 718 N N . TYR A 94 ? 0.5987 0.5773 0.5824 0.0660 -0.0467 0.0676 90 TYR A N 719 C CA . TYR A 94 ? 0.3872 0.3587 0.3619 0.0639 -0.0451 0.0713 90 TYR A CA 720 C C . TYR A 94 ? 0.5849 0.5461 0.5640 0.0674 -0.0429 0.0735 90 TYR A C 721 O O . TYR A 94 ? 0.5953 0.5544 0.5784 0.0727 -0.0448 0.0748 90 TYR A O 722 C CB . TYR A 94 ? 0.3886 0.3704 0.3563 0.0642 -0.0504 0.0764 90 TYR A CB 723 C CG . TYR A 94 ? 0.5422 0.5333 0.5005 0.0549 -0.0519 0.0739 90 TYR A CG 724 C CD1 . TYR A 94 ? 0.4860 0.4899 0.4491 0.0530 -0.0548 0.0711 90 TYR A CD1 725 C CD2 . TYR A 94 ? 0.4600 0.4447 0.4020 0.0461 -0.0495 0.0736 90 TYR A CD2 726 C CE1 . TYR A 94 ? 0.4992 0.5094 0.4510 0.0413 -0.0553 0.0680 90 TYR A CE1 727 C CE2 . TYR A 94 ? 0.5219 0.5110 0.4504 0.0343 -0.0498 0.0701 90 TYR A CE2 728 C CZ . TYR A 94 ? 0.5484 0.5502 0.4817 0.0312 -0.0528 0.0671 90 TYR A CZ 729 O OH . TYR A 94 ? 0.6846 0.6889 0.6020 0.0165 -0.0523 0.0628 90 TYR A OH 730 N N . TYR A 95 ? 0.5869 0.5401 0.5632 0.0637 -0.0376 0.0738 91 TYR A N 731 C CA . TYR A 95 ? 0.5195 0.4646 0.4995 0.0632 -0.0347 0.0754 91 TYR A CA 732 C C . TYR A 95 ? 0.5649 0.5010 0.5349 0.0615 -0.0318 0.0800 91 TYR A C 733 O O . TYR A 95 ? 0.5279 0.4633 0.4901 0.0586 -0.0287 0.0805 91 TYR A O 734 C CB . TYR A 95 ? 0.4771 0.4265 0.4660 0.0601 -0.0303 0.0736 91 TYR A CB 735 C CG . TYR A 95 ? 0.5379 0.4964 0.5366 0.0615 -0.0325 0.0700 91 TYR A CG 736 C CD1 . TYR A 95 ? 0.4331 0.3915 0.4370 0.0606 -0.0356 0.0683 91 TYR A CD1 737 C CD2 . TYR A 95 ? 0.4078 0.3722 0.4078 0.0629 -0.0302 0.0684 91 TYR A CD2 738 C CE1 . TYR A 95 ? 0.4274 0.3944 0.4385 0.0611 -0.0377 0.0653 91 TYR A CE1 739 C CE2 . TYR A 95 ? 0.4813 0.4539 0.4893 0.0647 -0.0318 0.0661 91 TYR A CE2 740 C CZ . TYR A 95 ? 0.5098 0.4854 0.5241 0.0638 -0.0362 0.0647 91 TYR A CZ 741 O OH . TYR A 95 ? 0.5776 0.5615 0.5980 0.0650 -0.0380 0.0626 91 TYR A OH 742 N N . CYS A 96 ? 0.6045 0.5303 0.5719 0.0629 -0.0315 0.0832 92 CYS A N 743 C CA . CYS A 96 ? 0.7019 0.6172 0.6616 0.0599 -0.0268 0.0873 92 CYS A CA 744 C C . CYS A 96 ? 0.6242 0.5391 0.5921 0.0532 -0.0219 0.0857 92 CYS A C 745 O O . CYS A 96 ? 0.5430 0.4615 0.5196 0.0511 -0.0233 0.0824 92 CYS A O 746 C CB . CYS A 96 ? 0.5862 0.4880 0.5363 0.0647 -0.0270 0.0928 92 CYS A CB 747 S SG . CYS A 96 ? 1.0019 0.8906 0.9546 0.0662 -0.0259 0.0905 92 CYS A SG 748 N N . ALA A 97 ? 0.5160 0.4288 0.4810 0.0493 -0.0160 0.0885 93 ALA A N 749 C CA . ALA A 97 ? 0.5251 0.4440 0.4999 0.0426 -0.0111 0.0890 93 ALA A CA 750 C C . ALA A 97 ? 0.5754 0.4845 0.5424 0.0383 -0.0048 0.0937 93 ALA A C 751 O O . ALA A 97 ? 0.5728 0.4754 0.5286 0.0411 -0.0023 0.0963 93 ALA A O 752 C CB . ALA A 97 ? 0.4176 0.3534 0.4032 0.0441 -0.0081 0.0884 93 ALA A CB 753 N N . LYS A 98 ? 0.5549 0.4628 0.5261 0.0299 -0.0022 0.0946 94 LYS A N 754 C CA . LYS A 98 ? 0.5114 0.4092 0.4753 0.0239 0.0045 0.0991 94 LYS A CA 755 C C . LYS A 98 ? 0.6293 0.5469 0.6061 0.0195 0.0110 0.1022 94 LYS A C 756 O O . LYS A 98 ? 0.6452 0.5826 0.6375 0.0140 0.0103 0.1018 94 LYS A O 757 C CB . LYS A 98 ? 0.6517 0.5333 0.6091 0.0153 0.0049 0.0982 94 LYS A CB 758 C CG . LYS A 98 ? 0.6570 0.5319 0.6102 0.0042 0.0126 0.1020 94 LYS A CG 759 C CD . LYS A 98 ? 0.6273 0.4857 0.5729 -0.0082 0.0137 0.0993 94 LYS A CD 760 C CE . LYS A 98 ? 0.7708 0.6319 0.7172 -0.0241 0.0209 0.1022 94 LYS A CE 761 N NZ . LYS A 98 ? 0.6544 0.5539 0.6237 -0.0275 0.0213 0.1048 94 LYS A NZ 762 N N . ILE A 99 ? 0.5955 0.5091 0.5652 0.0225 0.0179 0.1061 95 ILE A N 763 C CA . ILE A 99 ? 0.5481 0.4787 0.5286 0.0205 0.0269 0.1109 95 ILE A CA 764 C C . ILE A 99 ? 0.6066 0.5424 0.5931 0.0076 0.0302 0.1142 95 ILE A C 765 O O . ILE A 99 ? 0.5858 0.5012 0.5598 0.0009 0.0288 0.1131 95 ILE A O 766 C CB . ILE A 99 ? 0.6023 0.5217 0.5688 0.0265 0.0350 0.1137 95 ILE A CB 767 C CG1 . ILE A 99 ? 0.5878 0.5248 0.5655 0.0306 0.0459 0.1183 95 ILE A CG1 768 C CG2 . ILE A 99 ? 0.5014 0.4027 0.4531 0.0212 0.0387 0.1169 95 ILE A CG2 769 C CD1 . ILE A 99 ? 0.5321 0.4822 0.5198 0.0386 0.0446 0.1164 95 ILE A CD1 770 N N . SER A 100 ? 0.6259 0.5898 0.6310 0.0039 0.0352 0.1189 96 SER A N 771 C CA . SER A 100 ? 0.5356 0.5129 0.5491 -0.0108 0.0390 0.1231 96 SER A CA 772 C C . SER A 100 ? 0.5916 0.5762 0.6073 -0.0086 0.0515 0.1309 96 SER A C 773 O O . SER A 100 ? 0.7091 0.6862 0.7181 0.0043 0.0575 0.1324 96 SER A O 774 C CB . SER A 100 ? 0.6012 0.6135 0.6367 -0.0181 0.0344 0.1242 96 SER A CB 775 O OG . SER A 100 ? 0.6058 0.6486 0.6596 -0.0073 0.0400 0.1314 96 SER A OG 776 N N . GLY A 101 ? 0.6761 0.6752 0.6998 -0.0226 0.0563 0.1358 97 GLY A N 777 C CA . GLY A 101 ? 0.6655 0.6769 0.6946 -0.0209 0.0693 0.1445 97 GLY A CA 778 C C . GLY A 101 ? 0.7356 0.7835 0.7871 -0.0095 0.0758 0.1523 97 GLY A C 779 O O . GLY A 101 ? 0.7831 0.8381 0.8371 -0.0028 0.0890 0.1600 97 GLY A O 780 N N . SER A 102 ? 0.7117 0.7817 0.7782 -0.0061 0.0682 0.1514 98 SER A N 781 C CA . SER A 102 ? 0.6962 0.7988 0.7825 0.0081 0.0749 0.1601 98 SER A CA 782 C C . SER A 102 ? 0.7102 0.7897 0.7837 0.0269 0.0772 0.1560 98 SER A C 783 O O . SER A 102 ? 0.7130 0.8125 0.7991 0.0402 0.0823 0.1619 98 SER A O 784 C CB . SER A 102 ? 0.6688 0.8126 0.7788 0.0005 0.0657 0.1633 98 SER A CB 785 O OG . SER A 102 ? 0.8244 0.9504 0.9251 -0.0023 0.0522 0.1525 98 SER A OG 786 N N . TYR A 103 ? 0.6921 0.7307 0.7399 0.0277 0.0738 0.1467 99 TYR A N 787 C CA . TYR A 103 ? 0.7985 0.8140 0.8306 0.0412 0.0755 0.1418 99 TYR A CA 788 C C . TYR A 103 ? 0.7367 0.7663 0.7803 0.0466 0.0674 0.1394 99 TYR A C 789 O O . TYR A 103 ? 0.8489 0.8775 0.8913 0.0598 0.0741 0.1410 99 TYR A O 790 C CB . TYR A 103 ? 0.8568 0.8664 0.8818 0.0535 0.0935 0.1481 99 TYR A CB 791 C CG . TYR A 103 ? 1.1951 1.1885 1.2062 0.0473 0.1007 0.1497 99 TYR A CG 792 C CD1 . TYR A 103 ? 1.2037 1.1729 1.1976 0.0368 0.0911 0.1428 99 TYR A CD1 793 C CD2 . TYR A 103 ? 1.2832 1.2864 1.2986 0.0529 0.1179 0.1592 99 TYR A CD2 794 C CE1 . TYR A 103 ? 1.2184 1.1719 1.1982 0.0314 0.0976 0.1450 99 TYR A CE1 795 C CE2 . TYR A 103 ? 1.3865 1.3741 1.3880 0.0466 0.1247 0.1607 99 TYR A CE2 796 C CZ . TYR A 103 ? 1.3798 1.3422 1.3631 0.0354 0.1141 0.1534 99 TYR A CZ 797 O OH . TYR A 103 ? 1.3918 1.3379 1.3600 0.0296 0.1211 0.1557 99 TYR A OH 798 N N . SER A 104 ? 0.5591 0.5993 0.6115 0.0356 0.0542 0.1356 100 SER A N 799 C CA . SER A 104 ? 0.5457 0.5946 0.6051 0.0377 0.0442 0.1315 100 SER A CA 800 C C . SER A 104 ? 0.6368 0.6627 0.6830 0.0286 0.0316 0.1213 100 SER A C 801 O O . SER A 104 ? 0.6660 0.6757 0.7019 0.0193 0.0306 0.1195 100 SER A O 802 C CB . SER A 104 ? 0.4123 0.5040 0.4975 0.0334 0.0418 0.1390 100 SER A CB 803 O OG . SER A 104 ? 0.5963 0.7003 0.6873 0.0158 0.0387 0.1403 100 SER A OG 804 N N . PHE A 105 A 0.5707 0.5940 0.6163 0.0325 0.0234 0.1157 100 PHE A N 805 C CA . PHE A 105 A 0.4868 0.4897 0.5209 0.0271 0.0130 0.1072 100 PHE A CA 806 C C . PHE A 105 A 0.4947 0.5144 0.5396 0.0161 0.0054 0.1056 100 PHE A C 807 O O . PHE A 105 A 0.6546 0.6893 0.7084 0.0193 0.0006 0.1046 100 PHE A O 808 C CB . PHE A 105 A 0.4795 0.4685 0.5043 0.0373 0.0096 0.1019 100 PHE A CB 809 C CG . PHE A 105 A 0.5912 0.5630 0.6012 0.0444 0.0167 0.1024 100 PHE A CG 810 C CD1 . PHE A 105 A 0.6120 0.5624 0.6050 0.0417 0.0158 0.1007 100 PHE A CD1 811 C CD2 . PHE A 105 A 0.7083 0.6837 0.7186 0.0533 0.0252 0.1048 100 PHE A CD2 812 C CE1 . PHE A 105 A 0.6964 0.6319 0.6729 0.0458 0.0216 0.1008 100 PHE A CE1 813 C CE2 . PHE A 105 A 0.7481 0.7034 0.7396 0.0572 0.0329 0.1040 100 PHE A CE2 814 C CZ . PHE A 105 A 0.7070 0.6438 0.6816 0.0522 0.0302 0.1016 100 PHE A CZ 815 N N . ASP A 106 ? 0.5431 0.5583 0.5846 0.0019 0.0049 0.1053 101 ASP A N 816 C CA . ASP A 106 ? 0.6386 0.6661 0.6850 -0.0132 -0.0013 0.1029 101 ASP A CA 817 C C . ASP A 106 ? 0.6022 0.6018 0.6326 -0.0159 -0.0080 0.0937 101 ASP A C 818 O O . ASP A 106 ? 0.7511 0.7587 0.7830 -0.0262 -0.0134 0.0901 101 ASP A O 819 C CB . ASP A 106 ? 0.7224 0.7570 0.7700 -0.0307 0.0028 0.1065 101 ASP A CB 820 C CG . ASP A 106 ? 1.0219 1.0225 1.0510 -0.0316 0.0089 0.1057 101 ASP A CG 821 O OD1 . ASP A 106 ? 1.1234 1.1006 1.1410 -0.0177 0.0097 0.1039 101 ASP A OD1 822 O OD2 . ASP A 106 ? 1.0347 1.0334 1.0602 -0.0472 0.0128 0.1074 101 ASP A OD2 823 N N . TYR A 107 ? 0.6153 0.5842 0.6299 -0.0066 -0.0072 0.0907 102 TYR A N 824 C CA . TYR A 107 ? 0.6457 0.5898 0.6463 -0.0051 -0.0117 0.0841 102 TYR A CA 825 C C . TYR A 107 ? 0.5446 0.4809 0.5419 0.0117 -0.0139 0.0832 102 TYR A C 826 O O . TYR A 107 ? 0.6529 0.5832 0.6457 0.0190 -0.0107 0.0865 102 TYR A O 827 C CB . TYR A 107 ? 0.6706 0.5829 0.6519 -0.0129 -0.0075 0.0830 102 TYR A CB 828 C CG . TYR A 107 ? 0.6409 0.5564 0.6208 -0.0338 -0.0054 0.0819 102 TYR A CG 829 C CD1 . TYR A 107 ? 0.5963 0.5081 0.5704 -0.0457 -0.0088 0.0757 102 TYR A CD1 830 C CD2 . TYR A 107 ? 0.6468 0.5698 0.6297 -0.0435 0.0004 0.0871 102 TYR A CD2 831 C CE1 . TYR A 107 ? 0.6344 0.5500 0.6043 -0.0691 -0.0071 0.0741 102 TYR A CE1 832 C CE2 . TYR A 107 ? 0.5974 0.5266 0.5788 -0.0658 0.0022 0.0863 102 TYR A CE2 833 C CZ . TYR A 107 ? 0.6549 0.5807 0.6293 -0.0796 -0.0020 0.0796 102 TYR A CZ 834 O OH . TYR A 107 ? 0.7663 0.6992 0.7367 -0.1055 -0.0005 0.0783 102 TYR A OH 835 N N . TRP A 108 ? 0.5454 0.4827 0.5438 0.0161 -0.0194 0.0786 103 TRP A N 836 C CA . TRP A 108 ? 0.4688 0.4035 0.4656 0.0294 -0.0223 0.0775 103 TRP A CA 837 C C . TRP A 108 ? 0.5656 0.4808 0.5513 0.0332 -0.0249 0.0739 103 TRP A C 838 O O . TRP A 108 ? 0.6647 0.5708 0.6455 0.0258 -0.0250 0.0704 103 TRP A O 839 C CB . TRP A 108 ? 0.4849 0.4421 0.4950 0.0334 -0.0251 0.0765 103 TRP A CB 840 C CG . TRP A 108 ? 0.4838 0.4591 0.5042 0.0347 -0.0202 0.0815 103 TRP A CG 841 C CD1 . TRP A 108 ? 0.3915 0.3834 0.4217 0.0275 -0.0167 0.0861 103 TRP A CD1 842 C CD2 . TRP A 108 ? 0.4187 0.3968 0.4392 0.0441 -0.0168 0.0830 103 TRP A CD2 843 N NE1 . TRP A 108 ? 0.3849 0.3901 0.4225 0.0347 -0.0104 0.0916 103 TRP A NE1 844 C CE2 . TRP A 108 ? 0.3814 0.3749 0.4111 0.0446 -0.0097 0.0890 103 TRP A CE2 845 C CE3 . TRP A 108 ? 0.5179 0.4870 0.5302 0.0511 -0.0182 0.0801 103 TRP A CE3 846 C CZ2 . TRP A 108 ? 0.4596 0.4533 0.4874 0.0532 -0.0022 0.0917 103 TRP A CZ2 847 C CZ3 . TRP A 108 ? 0.4481 0.4181 0.4578 0.0564 -0.0120 0.0816 103 TRP A CZ3 848 C CH2 . TRP A 108 ? 0.4283 0.4075 0.4442 0.0580 -0.0032 0.0872 103 TRP A CH2 849 N N . GLY A 109 ? 0.5460 0.4557 0.5266 0.0443 -0.0264 0.0754 104 GLY A N 850 C CA . GLY A 109 ? 0.5008 0.4000 0.4754 0.0515 -0.0285 0.0736 104 GLY A CA 851 C C . GLY A 109 ? 0.5622 0.4746 0.5458 0.0516 -0.0325 0.0685 104 GLY A C 852 O O . GLY A 109 ? 0.5538 0.4847 0.5483 0.0483 -0.0341 0.0674 104 GLY A O 853 N N . GLN A 110 ? 0.5488 0.4508 0.5267 0.0566 -0.0330 0.0662 105 GLN A N 854 C CA . GLN A 110 ? 0.6032 0.5160 0.5877 0.0564 -0.0363 0.0613 105 GLN A CA 855 C C . GLN A 110 ? 0.6491 0.5796 0.6424 0.0645 -0.0400 0.0621 105 GLN A C 856 O O . GLN A 110 ? 0.7009 0.6429 0.7009 0.0640 -0.0425 0.0587 105 GLN A O 857 C CB . GLN A 110 ? 0.5715 0.4645 0.5447 0.0585 -0.0337 0.0581 105 GLN A CB 858 C CG . GLN A 110 ? 0.6290 0.5180 0.5994 0.0736 -0.0328 0.0615 105 GLN A CG 859 C CD . GLN A 110 ? 0.6457 0.5169 0.6053 0.0811 -0.0278 0.0683 105 GLN A CD 860 O OE1 . GLN A 110 ? 0.6377 0.5018 0.5931 0.0754 -0.0259 0.0706 105 GLN A OE1 861 N NE2 . GLN A 110 ? 0.5222 0.3875 0.4773 0.0951 -0.0249 0.0728 105 GLN A NE2 862 N N . GLY A 111 ? 0.5278 0.4604 0.5192 0.0704 -0.0404 0.0664 106 GLY A N 863 C CA . GLY A 111 ? 0.4961 0.4443 0.4922 0.0739 -0.0433 0.0667 106 GLY A CA 864 C C . GLY A 111 ? 0.5825 0.5341 0.5771 0.0826 -0.0455 0.0691 106 GLY A C 865 O O . GLY A 111 ? 0.6241 0.5665 0.6161 0.0880 -0.0438 0.0693 106 GLY A O 866 N N . THR A 112 ? 0.5188 0.4841 0.5137 0.0835 -0.0483 0.0715 107 THR A N 867 C CA . THR A 112 ? 0.5790 0.5563 0.5747 0.0909 -0.0511 0.0760 107 THR A CA 868 C C . THR A 112 ? 0.5818 0.5771 0.5814 0.0861 -0.0543 0.0731 107 THR A C 869 O O . THR A 112 ? 0.5077 0.5083 0.5019 0.0788 -0.0554 0.0730 107 THR A O 870 C CB . THR A 112 ? 0.6047 0.5832 0.5936 0.0951 -0.0519 0.0844 107 THR A CB 871 O OG1 . THR A 112 ? 0.6595 0.6164 0.6424 0.0994 -0.0471 0.0870 107 THR A OG1 872 C CG2 . THR A 112 ? 0.5927 0.5915 0.5851 0.1036 -0.0552 0.0916 107 THR A CG2 873 N N . LEU A 113 ? 0.5443 0.5459 0.5503 0.0889 -0.0547 0.0704 108 LEU A N 874 C CA . LEU A 113 ? 0.5780 0.5945 0.5863 0.0833 -0.0567 0.0674 108 LEU A CA 875 C C . LEU A 113 ? 0.6675 0.7052 0.6752 0.0831 -0.0609 0.0735 108 LEU A C 876 O O . LEU A 113 ? 0.6789 0.7268 0.6914 0.0930 -0.0621 0.0803 108 LEU A O 877 C CB . LEU A 113 ? 0.6239 0.6419 0.6387 0.0864 -0.0556 0.0635 108 LEU A CB 878 C CG . LEU A 113 ? 0.6058 0.6370 0.6215 0.0799 -0.0564 0.0605 108 LEU A CG 879 C CD1 . LEU A 113 ? 0.5213 0.5426 0.5300 0.0709 -0.0534 0.0560 108 LEU A CD1 880 C CD2 . LEU A 113 ? 0.4339 0.4682 0.4559 0.0844 -0.0552 0.0580 108 LEU A CD2 881 N N . VAL A 114 ? 0.5815 0.6260 0.5819 0.0717 -0.0625 0.0718 109 VAL A N 882 C CA . VAL A 114 ? 0.5631 0.6322 0.5613 0.0668 -0.0678 0.0771 109 VAL A CA 883 C C . VAL A 114 ? 0.6321 0.7104 0.6281 0.0550 -0.0678 0.0714 109 VAL A C 884 O O . VAL A 114 ? 0.6951 0.7583 0.6792 0.0439 -0.0640 0.0646 109 VAL A O 885 C CB . VAL A 114 ? 0.6294 0.6967 0.6150 0.0600 -0.0695 0.0801 109 VAL A CB 886 C CG1 . VAL A 114 ? 0.5860 0.6841 0.5689 0.0530 -0.0765 0.0863 109 VAL A CG1 887 C CG2 . VAL A 114 ? 0.6524 0.7071 0.6389 0.0716 -0.0682 0.0858 109 VAL A CG2 888 N N . THR A 115 ? 0.6503 0.7513 0.6565 0.0579 -0.0705 0.0744 110 THR A N 889 C CA . THR A 115 ? 0.6546 0.7666 0.6587 0.0457 -0.0703 0.0697 110 THR A CA 890 C C . THR A 115 ? 0.6618 0.8058 0.6627 0.0341 -0.0769 0.0752 110 THR A C 891 O O . THR A 115 ? 0.8115 0.9831 0.8234 0.0431 -0.0819 0.0858 110 THR A O 892 C CB . THR A 115 ? 0.6310 0.7494 0.6486 0.0548 -0.0684 0.0693 110 THR A CB 893 O OG1 . THR A 115 ? 0.6999 0.7916 0.7194 0.0646 -0.0636 0.0650 110 THR A OG1 894 C CG2 . THR A 115 ? 0.6137 0.7381 0.6270 0.0410 -0.0667 0.0636 110 THR A CG2 895 N N . VAL A 116 ? 0.5632 0.7033 0.5475 0.0139 -0.0760 0.0689 111 VAL A N 896 C CA . VAL A 116 ? 0.5975 0.7684 0.5744 -0.0033 -0.0826 0.0724 111 VAL A CA 897 C C . VAL A 116 ? 0.6279 0.8116 0.6051 -0.0164 -0.0813 0.0680 111 VAL A C 898 O O . VAL A 116 ? 0.6125 0.7670 0.5765 -0.0253 -0.0734 0.0578 111 VAL A O 899 C CB . VAL A 116 ? 0.5859 0.7392 0.5371 -0.0205 -0.0816 0.0677 111 VAL A CB 900 C CG1 . VAL A 116 ? 0.5466 0.7359 0.4889 -0.0402 -0.0901 0.0722 111 VAL A CG1 901 C CG2 . VAL A 116 ? 0.5626 0.6973 0.5130 -0.0072 -0.0807 0.0709 111 VAL A CG2 902 N N . SER A 117 ? 0.5142 0.7421 0.5062 -0.0170 -0.0880 0.0767 112 SER A N 903 C CA . SER A 117 ? 0.4848 0.7281 0.4799 -0.0284 -0.0864 0.0735 112 SER A CA 904 C C . SER A 117 ? 0.5894 0.8908 0.5982 -0.0341 -0.0955 0.0853 112 SER A C 905 O O . SER A 117 ? 0.6176 0.9468 0.6411 -0.0188 -0.1015 0.0982 112 SER A O 906 C CB . SER A 117 ? 0.4444 0.6716 0.4541 -0.0101 -0.0798 0.0711 112 SER A CB 907 O OG . SER A 117 ? 0.6648 0.8981 0.6735 -0.0223 -0.0762 0.0662 112 SER A OG 908 N N . SER A 118 ? 0.6450 0.9655 0.6485 -0.0564 -0.0959 0.0818 113 SER A N 909 C CA . SER A 118 ? 0.6633 1.0456 0.6833 -0.0629 -0.1041 0.0938 113 SER A CA 910 C C . SER A 118 ? 0.6065 1.0088 0.6533 -0.0433 -0.1008 0.1001 113 SER A C 911 O O . SER A 118 ? 0.5993 1.0570 0.6658 -0.0411 -0.1063 0.1134 113 SER A O 912 C CB . SER A 118 ? 0.6358 1.0323 0.6358 -0.1001 -0.1061 0.0870 113 SER A CB 913 O OG . SER A 118 ? 0.8525 1.2279 0.8235 -0.1197 -0.1078 0.0806 113 SER A OG 914 N N . ALA A 119 ? 0.5397 0.9001 0.5871 -0.0290 -0.0915 0.0918 114 ALA A N 915 C CA . ALA A 119 ? 0.5057 0.8771 0.5732 -0.0124 -0.0866 0.0956 114 ALA A CA 916 C C . ALA A 119 ? 0.5441 0.9431 0.6348 0.0160 -0.0885 0.1111 114 ALA A C 917 O O . ALA A 119 ? 0.6170 1.0073 0.7066 0.0288 -0.0910 0.1161 114 ALA A O 918 C CB . ALA A 119 ? 0.4462 0.7643 0.5056 -0.0036 -0.0770 0.0834 114 ALA A CB 919 N N . SER A 120 ? 0.5575 0.9880 0.6680 0.0265 -0.0856 0.1191 115 SER A N 920 C CA . SER A 120 ? 0.5378 0.9857 0.6682 0.0572 -0.0827 0.1335 115 SER A CA 921 C C . SER A 120 ? 0.4710 0.8792 0.6022 0.0756 -0.0719 0.1266 115 SER A C 922 O O . SER A 120 ? 0.4705 0.8549 0.5933 0.0644 -0.0678 0.1141 115 SER A O 923 C CB . SER A 120 ? 0.4668 0.9829 0.6194 0.0586 -0.0859 0.1503 115 SER A CB 924 O OG . SER A 120 ? 0.7581 1.3139 0.9083 0.0397 -0.0974 0.1572 115 SER A OG 925 N N . THR A 121 ? 0.4553 0.8542 0.5938 0.1034 -0.0665 0.1349 116 THR A N 926 C CA . THR A 121 ? 0.5339 0.8939 0.6697 0.1198 -0.0560 0.1283 116 THR A CA 927 C C . THR A 121 ? 0.4672 0.8458 0.6125 0.1175 -0.0506 0.1276 116 THR A C 928 O O . THR A 121 ? 0.4154 0.8427 0.5783 0.1221 -0.0503 0.1407 116 THR A O 929 C CB . THR A 121 ? 0.4882 0.8390 0.6284 0.1491 -0.0491 0.1392 116 THR A CB 930 O OG1 . THR A 121 ? 0.5237 0.8507 0.6526 0.1499 -0.0531 0.1382 116 THR A OG1 931 C CG2 . THR A 121 ? 0.3863 0.6970 0.5202 0.1634 -0.0374 0.1320 116 THR A CG2 932 N N . LYS A 122 ? 0.3805 0.7230 0.5142 0.1099 -0.0464 0.1133 117 LYS A N 933 C CA . LYS A 122 ? 0.4096 0.7638 0.5492 0.1067 -0.0406 0.1113 117 LYS A CA 934 C C . LYS A 122 ? 0.4485 0.7541 0.5754 0.1139 -0.0329 0.0997 117 LYS A C 935 O O . LYS A 122 ? 0.4194 0.6873 0.5307 0.1061 -0.0350 0.0887 117 LYS A O 936 C CB . LYS A 122 ? 0.3922 0.7662 0.5284 0.0776 -0.0460 0.1060 117 LYS A CB 937 C CG . LYS A 122 ? 0.3900 0.7649 0.5270 0.0715 -0.0391 0.1012 117 LYS A CG 938 C CD . LYS A 122 ? 0.5200 0.9201 0.6539 0.0420 -0.0431 0.0984 117 LYS A CD 939 C CE . LYS A 122 ? 0.7258 1.1054 0.8511 0.0333 -0.0353 0.0890 117 LYS A CE 940 N NZ . LYS A 122 ? 0.8681 1.2449 1.0037 0.0564 -0.0264 0.0926 117 LYS A NZ 941 N N . GLY A 123 ? 0.4897 0.7983 0.6231 0.1290 -0.0236 0.1032 118 GLY A N 942 C CA . GLY A 123 ? 0.4235 0.6902 0.5439 0.1352 -0.0162 0.0932 118 GLY A CA 943 C C . GLY A 123 ? 0.4120 0.6711 0.5251 0.1173 -0.0161 0.0832 118 GLY A C 944 O O . GLY A 123 ? 0.5124 0.8024 0.6328 0.1028 -0.0179 0.0855 118 GLY A O 945 N N . PRO A 124 ? 0.3797 0.5980 0.4770 0.1173 -0.0134 0.0727 119 PRO A N 946 C CA . PRO A 124 ? 0.4807 0.6871 0.5684 0.1015 -0.0130 0.0641 119 PRO A CA 947 C C . PRO A 124 ? 0.5637 0.7815 0.6551 0.1037 -0.0048 0.0652 119 PRO A C 948 O O . PRO A 124 ? 0.5420 0.7623 0.6380 0.1204 0.0023 0.0695 119 PRO A O 949 C CB . PRO A 124 ? 0.4970 0.6605 0.5683 0.1041 -0.0135 0.0553 119 PRO A CB 950 C CG . PRO A 124 ? 0.4278 0.5800 0.4990 0.1227 -0.0094 0.0580 119 PRO A CG 951 C CD . PRO A 124 ? 0.5020 0.6832 0.5880 0.1301 -0.0110 0.0686 119 PRO A CD 952 N N . SER A 125 ? 0.4783 0.6997 0.5651 0.0866 -0.0044 0.0611 120 SER A N 953 C CA . SER A 125 ? 0.4006 0.6212 0.4849 0.0863 0.0037 0.0594 120 SER A CA 954 C C . SER A 125 ? 0.4900 0.6685 0.5548 0.0858 0.0052 0.0501 120 SER A C 955 O O . SER A 125 ? 0.5662 0.7248 0.6206 0.0773 0.0005 0.0454 120 SER A O 956 C CB . SER A 125 ? 0.4205 0.6689 0.5093 0.0668 0.0046 0.0609 120 SER A CB 957 O OG . SER A 125 ? 0.5747 0.8662 0.6808 0.0631 -0.0001 0.0700 120 SER A OG 958 N N . VAL A 126 ? 0.3954 0.5608 0.4544 0.0959 0.0122 0.0485 121 VAL A N 959 C CA . VAL A 126 ? 0.5183 0.6484 0.5591 0.0966 0.0127 0.0413 121 VAL A CA 960 C C . VAL A 126 ? 0.5518 0.6794 0.5854 0.0930 0.0204 0.0398 121 VAL A C 961 O O . VAL A 126 ? 0.4901 0.6300 0.5289 0.1006 0.0277 0.0427 121 VAL A O 962 C CB . VAL A 126 ? 0.4982 0.6071 0.5322 0.1107 0.0123 0.0393 121 VAL A CB 963 C CG1 . VAL A 126 ? 0.5023 0.6263 0.5476 0.1240 0.0160 0.0453 121 VAL A CG1 964 C CG2 . VAL A 126 ? 0.5649 0.6501 0.5820 0.1135 0.0167 0.0343 121 VAL A CG2 965 N N . PHE A 127 ? 0.5713 0.6829 0.5925 0.0820 0.0203 0.0363 122 PHE A N 966 C CA . PHE A 127 ? 0.5917 0.6964 0.6026 0.0756 0.0275 0.0350 122 PHE A CA 967 C C . PHE A 127 ? 0.6640 0.7385 0.6568 0.0805 0.0275 0.0317 122 PHE A C 968 O O . PHE A 127 ? 0.6532 0.7134 0.6412 0.0824 0.0212 0.0304 122 PHE A O 969 C CB . PHE A 127 ? 0.4519 0.5608 0.4600 0.0575 0.0290 0.0350 122 PHE A CB 970 C CG . PHE A 127 ? 0.5073 0.6499 0.5319 0.0486 0.0267 0.0386 122 PHE A CG 971 C CD1 . PHE A 127 ? 0.5019 0.6763 0.5412 0.0502 0.0311 0.0434 122 PHE A CD1 972 C CD2 . PHE A 127 ? 0.5387 0.6838 0.5639 0.0385 0.0205 0.0380 122 PHE A CD2 973 C CE1 . PHE A 127 ? 0.4717 0.6847 0.5280 0.0417 0.0281 0.0488 122 PHE A CE1 974 C CE2 . PHE A 127 ? 0.4903 0.6705 0.5298 0.0286 0.0172 0.0421 122 PHE A CE2 975 C CZ . PHE A 127 ? 0.4911 0.7077 0.5471 0.0301 0.0205 0.0481 122 PHE A CZ 976 N N . PRO A 128 ? 0.6455 0.7125 0.6282 0.0826 0.0343 0.0313 123 PRO A N 977 C CA . PRO A 128 ? 0.6168 0.6600 0.5822 0.0877 0.0334 0.0296 123 PRO A CA 978 C C . PRO A 128 ? 0.6192 0.6472 0.5727 0.0806 0.0349 0.0310 123 PRO A C 979 O O . PRO A 128 ? 0.7275 0.7571 0.6795 0.0707 0.0412 0.0319 123 PRO A O 980 C CB . PRO A 128 ? 0.6932 0.7359 0.6516 0.0926 0.0412 0.0292 123 PRO A CB 981 C CG . PRO A 128 ? 0.6547 0.7173 0.6236 0.0852 0.0486 0.0315 123 PRO A CG 982 C CD . PRO A 128 ? 0.6420 0.7248 0.6290 0.0807 0.0433 0.0331 123 PRO A CD 983 N N . LEU A 129 ? 0.6795 0.6929 0.6239 0.0856 0.0298 0.0317 124 LEU A N 984 C CA . LEU A 129 ? 0.6783 0.6748 0.6083 0.0846 0.0332 0.0354 124 LEU A CA 985 C C . LEU A 129 ? 0.6729 0.6627 0.5892 0.0910 0.0352 0.0370 124 LEU A C 986 O O . LEU A 129 ? 0.6990 0.6881 0.6112 0.0972 0.0283 0.0375 124 LEU A O 987 C CB . LEU A 129 ? 0.5745 0.5652 0.5057 0.0873 0.0268 0.0376 124 LEU A CB 988 C CG . LEU A 129 ? 0.6170 0.6121 0.5586 0.0803 0.0250 0.0358 124 LEU A CG 989 C CD1 . LEU A 129 ? 0.5144 0.5023 0.4559 0.0841 0.0201 0.0385 124 LEU A CD1 990 C CD2 . LEU A 129 ? 0.5787 0.5679 0.5144 0.0688 0.0345 0.0356 124 LEU A CD2 991 N N . ALA A 130 ? 0.6826 0.6688 0.5909 0.0879 0.0446 0.0378 125 ALA A N 992 C CA . ALA A 130 ? 0.7218 0.7036 0.6168 0.0930 0.0474 0.0385 125 ALA A CA 993 C C . ALA A 130 ? 0.7577 0.7263 0.6362 0.0983 0.0470 0.0451 125 ALA A C 994 O O . ALA A 130 ? 0.6457 0.6030 0.5190 0.0973 0.0520 0.0500 125 ALA A O 995 C CB . ALA A 130 ? 0.5935 0.5771 0.4861 0.0877 0.0586 0.0379 125 ALA A CB 996 N N . PRO A 131 ? 0.6520 0.6217 0.5205 0.1039 0.0419 0.0460 126 PRO A N 997 C CA . PRO A 131 ? 0.6527 0.6157 0.5053 0.1098 0.0419 0.0546 126 PRO A CA 998 C C . PRO A 131 ? 0.8654 0.8159 0.7037 0.1094 0.0543 0.0584 126 PRO A C 999 O O . PRO A 131 ? 0.8875 0.8382 0.7233 0.1057 0.0602 0.0537 126 PRO A O 1000 C CB . PRO A 131 ? 0.6249 0.5960 0.4696 0.1118 0.0326 0.0530 126 PRO A CB 1001 C CG . PRO A 131 ? 0.6182 0.5899 0.4658 0.1080 0.0353 0.0434 126 PRO A CG 1002 C CD . PRO A 131 ? 0.6141 0.5899 0.4820 0.1047 0.0375 0.0397 126 PRO A CD 1003 N N . SER A 132 ? 1.0161 0.9545 0.8441 0.1141 0.0599 0.0676 127 SER A N 1004 C CA . SER A 132 ? 1.1987 1.1205 1.0094 0.1143 0.0731 0.0725 127 SER A CA 1005 C C . SER A 132 ? 1.3317 1.2475 1.1266 0.1263 0.0737 0.0857 127 SER A C 1006 O O . SER A 132 ? 1.3208 1.2497 1.1206 0.1333 0.0633 0.0907 127 SER A O 1007 C CB . SER A 132 ? 1.1762 1.0826 0.9881 0.1052 0.0851 0.0704 127 SER A CB 1008 O OG . SER A 132 ? 1.0481 0.9495 0.8664 0.1062 0.0834 0.0724 127 SER A OG 1009 N N . SER A 133 ? 1.5121 1.4097 1.2881 0.1290 0.0866 0.0924 128 SER A N 1010 C CA . SER A 133 ? 1.5917 1.4810 1.3526 0.1428 0.0904 0.1078 128 SER A CA 1011 C C . SER A 133 ? 1.6207 1.4968 1.3850 0.1477 0.0960 0.1134 128 SER A C 1012 O O . SER A 133 ? 1.6335 1.5097 1.3915 0.1624 0.0970 0.1275 128 SER A O 1013 C CB . SER A 133 ? 1.5796 1.4484 1.3171 0.1452 0.1049 0.1143 128 SER A CB 1014 O OG . SER A 133 ? 1.5663 1.4075 1.2973 0.1368 0.1211 0.1111 128 SER A OG 1015 N N . LYS A 134 ? 1.5960 1.4623 1.3697 0.1360 0.1001 0.1035 129 LYS A N 1016 C CA . LYS A 134 ? 1.5123 1.3649 1.2884 0.1380 0.1051 0.1061 129 LYS A CA 1017 C C . LYS A 134 ? 1.5138 1.3910 1.3116 0.1402 0.0894 0.1036 129 LYS A C 1018 O O . LYS A 134 ? 1.3161 1.1842 1.1178 0.1412 0.0924 0.1046 129 LYS A O 1019 N N . SER A 135 ? 1.6429 1.5480 1.4524 0.1399 0.0740 0.0999 130 SER A N 1020 C CA . SER A 135 ? 1.5531 1.4818 1.3801 0.1419 0.0590 0.0987 130 SER A CA 1021 C C . SER A 135 ? 1.4747 1.4264 1.2990 0.1487 0.0476 0.1053 130 SER A C 1022 O O . SER A 135 ? 1.3792 1.3510 1.2137 0.1435 0.0340 0.0990 130 SER A O 1023 C CB . SER A 135 ? 1.3999 1.3376 1.2437 0.1292 0.0515 0.0840 130 SER A CB 1024 O OG . SER A 135 ? 1.3620 1.3042 1.2036 0.1226 0.0506 0.0763 130 SER A OG 1025 N N . THR A 136 ? 1.4956 1.4439 1.3038 0.1595 0.0534 0.1185 131 THR A N 1026 C CA . THR A 136 ? 1.5049 1.4773 1.3070 0.1651 0.0428 0.1269 131 THR A CA 1027 C C . THR A 136 ? 1.4861 1.4643 1.2832 0.1827 0.0470 0.1473 131 THR A C 1028 O O . THR A 136 ? 1.4942 1.4594 1.2737 0.1926 0.0579 0.1586 131 THR A O 1029 C CB . THR A 136 ? 1.5173 1.4838 1.3021 0.1609 0.0457 0.1237 131 THR A CB 1030 O OG1 . THR A 136 ? 1.4837 1.4457 1.2745 0.1471 0.0441 0.1063 131 THR A OG1 1031 C CG2 . THR A 136 ? 1.4811 1.4735 1.2566 0.1638 0.0337 0.1316 131 THR A CG2 1032 N N . SER A 137 ? 1.4826 1.4806 1.2950 0.1877 0.0393 0.1531 132 SER A N 1033 C CA . SER A 137 ? 1.4480 1.4598 1.2595 0.2066 0.0423 0.1747 132 SER A CA 1034 C C . SER A 137 ? 1.4098 1.4655 1.2246 0.2064 0.0244 0.1828 132 SER A C 1035 O O . SER A 137 ? 1.3530 1.4379 1.1840 0.2034 0.0117 0.1839 132 SER A O 1036 C CB . SER A 137 ? 1.3536 1.3609 1.1792 0.2128 0.0470 0.1778 132 SER A CB 1037 O OG . SER A 137 ? 1.3008 1.3393 1.1463 0.2049 0.0302 0.1727 132 SER A OG 1038 N N . GLY A 138 ? 1.3626 1.4231 1.1600 0.2080 0.0236 0.1884 133 GLY A N 1039 C CA . GLY A 138 ? 1.2656 1.3665 1.0604 0.2040 0.0066 0.1949 133 GLY A CA 1040 C C . GLY A 138 ? 1.2422 1.3354 1.0156 0.1952 0.0053 0.1880 133 GLY A C 1041 O O . GLY A 138 ? 1.3160 1.3827 1.0739 0.2028 0.0196 0.1918 133 GLY A O 1042 N N . GLY A 139 ? 1.1515 1.2646 0.9216 0.1782 -0.0103 0.1774 134 GLY A N 1043 C CA . GLY A 139 ? 1.0848 1.2255 0.8706 0.1671 -0.0258 0.1723 134 GLY A CA 1044 C C . GLY A 139 ? 1.1421 1.2620 0.9386 0.1527 -0.0264 0.1500 134 GLY A C 1045 O O . GLY A 139 ? 1.0744 1.1878 0.8612 0.1369 -0.0319 0.1343 134 GLY A O 1046 N N . THR A 140 ? 1.1270 1.2352 0.9418 0.1591 -0.0197 0.1494 135 THR A N 1047 C CA . THR A 140 ? 1.1071 1.2022 0.9352 0.1478 -0.0215 0.1320 135 THR A CA 1048 C C . THR A 140 ? 0.9706 1.0290 0.7978 0.1483 -0.0070 0.1216 135 THR A C 1049 O O . THR A 140 ? 1.0038 1.0453 0.8263 0.1594 0.0061 0.1298 135 THR A O 1050 C CB . THR A 140 ? 1.1768 1.2877 1.0258 0.1526 -0.0250 0.1385 135 THR A CB 1051 O OG1 . THR A 140 ? 1.2742 1.4254 1.1257 0.1511 -0.0386 0.1499 135 THR A OG1 1052 C CG2 . THR A 140 ? 1.1657 1.2648 1.0275 0.1409 -0.0277 0.1216 135 THR A CG2 1053 N N . ALA A 141 ? 0.7653 0.8118 0.5956 0.1360 -0.0087 0.1042 136 ALA A N 1054 C CA . ALA A 141 ? 0.6574 0.6776 0.4918 0.1343 0.0029 0.0944 136 ALA A CA 1055 C C . ALA A 141 ? 0.6640 0.6837 0.5171 0.1287 -0.0008 0.0853 136 ALA A C 1056 O O . ALA A 141 ? 0.6966 0.7294 0.5547 0.1218 -0.0117 0.0802 136 ALA A O 1057 C CB . ALA A 141 ? 0.5495 0.5576 0.3712 0.1272 0.0067 0.0839 136 ALA A CB 1058 N N . ALA A 142 ? 0.6893 0.6930 0.5505 0.1303 0.0087 0.0834 137 ALA A N 1059 C CA . ALA A 142 ? 0.6183 0.6208 0.4959 0.1250 0.0061 0.0752 137 ALA A CA 1060 C C . ALA A 142 ? 0.6192 0.6102 0.4991 0.1178 0.0116 0.0637 137 ALA A C 1061 O O . ALA A 142 ? 0.6480 0.6275 0.5199 0.1176 0.0215 0.0637 137 ALA A O 1062 C CB . ALA A 142 ? 0.5018 0.4977 0.3864 0.1310 0.0120 0.0822 137 ALA A CB 1063 N N . LEU A 143 ? 0.5190 0.5148 0.4102 0.1122 0.0058 0.0549 138 LEU A N 1064 C CA . LEU A 143 ? 0.4833 0.4743 0.3805 0.1074 0.0106 0.0462 138 LEU A CA 1065 C C . LEU A 143 ? 0.5494 0.5456 0.4621 0.1048 0.0048 0.0417 138 LEU A C 1066 O O . LEU A 143 ? 0.5262 0.5281 0.4428 0.1056 -0.0028 0.0439 138 LEU A O 1067 C CB . LEU A 143 ? 0.5912 0.5811 0.4782 0.1061 0.0116 0.0407 138 LEU A CB 1068 C CG . LEU A 143 ? 0.6268 0.6202 0.5068 0.1040 0.0026 0.0368 138 LEU A CG 1069 C CD1 . LEU A 143 ? 0.5989 0.5893 0.4866 0.1020 0.0029 0.0282 138 LEU A CD1 1070 C CD2 . LEU A 143 ? 0.5756 0.5659 0.4346 0.1033 0.0034 0.0369 138 LEU A CD2 1071 N N . GLY A 144 ? 0.6082 0.6049 0.5303 0.1016 0.0087 0.0364 139 GLY A N 1072 C CA . GLY A 144 ? 0.5277 0.5297 0.4638 0.1000 0.0037 0.0335 139 GLY A CA 1073 C C . GLY A 144 ? 0.4890 0.4971 0.4357 0.0977 0.0079 0.0298 139 GLY A C 1074 O O . GLY A 144 ? 0.5995 0.6095 0.5439 0.0978 0.0144 0.0286 139 GLY A O 1075 N N . CYS A 145 ? 0.4922 0.5060 0.4513 0.0961 0.0040 0.0292 140 CYS A N 1076 C CA . CYS A 145 ? 0.5298 0.5556 0.5017 0.0945 0.0060 0.0279 140 CYS A CA 1077 C C . CYS A 145 ? 0.5994 0.6294 0.5791 0.0883 0.0038 0.0293 140 CYS A C 1078 O O . CYS A 145 ? 0.6189 0.6428 0.5983 0.0888 -0.0012 0.0301 140 CYS A O 1079 C CB . CYS A 145 ? 0.5023 0.5303 0.4786 0.1007 0.0033 0.0255 140 CYS A CB 1080 S SG . CYS A 145 ? 0.9381 0.9608 0.9041 0.1068 0.0103 0.0230 140 CYS A SG 1081 N N . LEU A 146 ? 0.4476 0.4889 0.4334 0.0814 0.0080 0.0299 141 LEU A N 1082 C CA . LEU A 146 ? 0.4125 0.4591 0.4032 0.0727 0.0062 0.0304 141 LEU A CA 1083 C C . LEU A 146 ? 0.6055 0.6741 0.6121 0.0744 0.0022 0.0315 141 LEU A C 1084 O O . LEU A 146 ? 0.6269 0.7135 0.6415 0.0753 0.0056 0.0332 141 LEU A O 1085 C CB . LEU A 146 ? 0.4271 0.4711 0.4100 0.0602 0.0137 0.0305 141 LEU A CB 1086 C CG . LEU A 146 ? 0.5185 0.5665 0.5009 0.0460 0.0140 0.0299 141 LEU A CG 1087 C CD1 . LEU A 146 ? 0.5156 0.5427 0.4886 0.0458 0.0129 0.0295 141 LEU A CD1 1088 C CD2 . LEU A 146 ? 0.5232 0.5689 0.4956 0.0320 0.0231 0.0290 141 LEU A CD2 1089 N N . VAL A 147 ? 0.4884 0.5563 0.4996 0.0764 -0.0042 0.0318 142 VAL A N 1090 C CA . VAL A 147 ? 0.4574 0.5439 0.4821 0.0803 -0.0080 0.0344 142 VAL A CA 1091 C C . VAL A 147 ? 0.5005 0.5989 0.5284 0.0680 -0.0106 0.0357 142 VAL A C 1092 O O . VAL A 147 ? 0.6267 0.7121 0.6486 0.0640 -0.0136 0.0343 142 VAL A O 1093 C CB . VAL A 147 ? 0.3977 0.4724 0.4221 0.0902 -0.0127 0.0338 142 VAL A CB 1094 C CG1 . VAL A 147 ? 0.4642 0.5541 0.5000 0.0984 -0.0134 0.0377 142 VAL A CG1 1095 C CG2 . VAL A 147 ? 0.4013 0.4582 0.4152 0.0963 -0.0107 0.0307 142 VAL A CG2 1096 N N . LYS A 148 ? 0.4472 0.5715 0.4835 0.0610 -0.0090 0.0387 143 LYS A N 1097 C CA . LYS A 148 ? 0.4867 0.6218 0.5205 0.0434 -0.0101 0.0387 143 LYS A CA 1098 C C . LYS A 148 ? 0.6009 0.7713 0.6505 0.0422 -0.0157 0.0448 143 LYS A C 1099 O O . LYS A 148 ? 0.4924 0.6875 0.5568 0.0525 -0.0149 0.0506 143 LYS A O 1100 C CB . LYS A 148 ? 0.3689 0.5058 0.3953 0.0302 -0.0028 0.0369 143 LYS A CB 1101 C CG . LYS A 148 ? 0.6415 0.7665 0.6518 0.0097 -0.0004 0.0333 143 LYS A CG 1102 C CD . LYS A 148 ? 0.6406 0.7679 0.6424 -0.0057 0.0077 0.0317 143 LYS A CD 1103 C CE . LYS A 148 ? 0.6932 0.7968 0.6717 -0.0264 0.0129 0.0268 143 LYS A CE 1104 N NZ . LYS A 148 ? 0.6124 0.7328 0.5921 -0.0397 0.0060 0.0270 143 LYS A NZ 1105 N N . ASP A 149 ? 0.6328 0.8050 0.6779 0.0308 -0.0206 0.0444 144 ASP A N 1106 C CA . ASP A 149 ? 0.5597 0.7692 0.6159 0.0230 -0.0265 0.0507 144 ASP A CA 1107 C C . ASP A 149 ? 0.4594 0.6860 0.5321 0.0427 -0.0309 0.0585 144 ASP A C 1108 O O . ASP A 149 ? 0.6702 0.9304 0.7593 0.0505 -0.0306 0.0669 144 ASP A O 1109 C CB . ASP A 149 ? 0.4471 0.6905 0.5104 0.0101 -0.0239 0.0539 144 ASP A CB 1110 C CG . ASP A 149 ? 0.6597 0.8878 0.7032 -0.0147 -0.0196 0.0467 144 ASP A CG 1111 O OD1 . ASP A 149 ? 0.7119 0.9112 0.7373 -0.0236 -0.0198 0.0410 144 ASP A OD1 1112 O OD2 . ASP A 149 ? 0.6797 0.9231 0.7244 -0.0252 -0.0146 0.0470 144 ASP A OD2 1113 N N . TYR A 150 ? 0.4347 0.6374 0.5020 0.0507 -0.0340 0.0566 145 TYR A N 1114 C CA . TYR A 150 ? 0.3737 0.5847 0.4519 0.0686 -0.0366 0.0635 145 TYR A CA 1115 C C . TYR A 150 ? 0.4082 0.6138 0.4818 0.0650 -0.0430 0.0642 145 TYR A C 1116 O O . TYR A 150 ? 0.4535 0.6373 0.5132 0.0530 -0.0440 0.0575 145 TYR A O 1117 C CB . TYR A 150 ? 0.3471 0.5300 0.4224 0.0858 -0.0317 0.0606 145 TYR A CB 1118 C CG . TYR A 150 ? 0.3562 0.5019 0.4171 0.0833 -0.0323 0.0523 145 TYR A CG 1119 C CD1 . TYR A 150 ? 0.4180 0.5453 0.4688 0.0771 -0.0286 0.0458 145 TYR A CD1 1120 C CD2 . TYR A 150 ? 0.3427 0.4737 0.4005 0.0879 -0.0360 0.0523 145 TYR A CD2 1121 C CE1 . TYR A 150 ? 0.4402 0.5393 0.4800 0.0767 -0.0290 0.0408 145 TYR A CE1 1122 C CE2 . TYR A 150 ? 0.3180 0.4209 0.3651 0.0858 -0.0364 0.0464 145 TYR A CE2 1123 C CZ . TYR A 150 ? 0.4861 0.5751 0.5252 0.0808 -0.0331 0.0413 145 TYR A CZ 1124 O OH . TYR A 150 ? 0.5601 0.6268 0.5907 0.0805 -0.0334 0.0379 145 TYR A OH 1125 N N . PHE A 151 ? 0.3522 0.5768 0.4364 0.0769 -0.0460 0.0733 146 PHE A N 1126 C CA . PHE A 151 ? 0.3290 0.5499 0.4092 0.0758 -0.0518 0.0755 146 PHE A CA 1127 C C . PHE A 151 ? 0.4703 0.6965 0.5596 0.0971 -0.0509 0.0850 146 PHE A C 1128 O O . PHE A 151 ? 0.5762 0.8286 0.6785 0.1090 -0.0480 0.0942 146 PHE A O 1129 C CB . PHE A 151 ? 0.3329 0.5842 0.4125 0.0571 -0.0582 0.0788 146 PHE A CB 1130 C CG . PHE A 151 ? 0.4222 0.6653 0.4933 0.0531 -0.0637 0.0794 146 PHE A CG 1131 C CD1 . PHE A 151 ? 0.3342 0.5429 0.3878 0.0421 -0.0627 0.0695 146 PHE A CD1 1132 C CD2 . PHE A 151 ? 0.4367 0.7062 0.5170 0.0620 -0.0686 0.0911 146 PHE A CD2 1133 C CE1 . PHE A 151 ? 0.4727 0.6728 0.5177 0.0388 -0.0665 0.0701 146 PHE A CE1 1134 C CE2 . PHE A 151 ? 0.4372 0.6980 0.5083 0.0583 -0.0733 0.0918 146 PHE A CE2 1135 C CZ . PHE A 151 ? 0.3334 0.5591 0.3868 0.0461 -0.0722 0.0807 146 PHE A CZ 1136 N N . PRO A 152 ? 0.4775 0.6772 0.5590 0.1028 -0.0520 0.0833 147 PRO A N 1137 C CA . PRO A 152 ? 0.4477 0.6168 0.5153 0.0919 -0.0538 0.0736 147 PRO A CA 1138 C C . PRO A 152 ? 0.4602 0.5963 0.5214 0.0972 -0.0488 0.0656 147 PRO A C 1139 O O . PRO A 152 ? 0.5285 0.6648 0.5933 0.1048 -0.0440 0.0653 147 PRO A O 1140 C CB . PRO A 152 ? 0.4408 0.6057 0.5063 0.0974 -0.0572 0.0788 147 PRO A CB 1141 C CG . PRO A 152 ? 0.4491 0.6183 0.5226 0.1180 -0.0528 0.0875 147 PRO A CG 1142 C CD . PRO A 152 ? 0.4154 0.6150 0.5011 0.1215 -0.0503 0.0926 147 PRO A CD 1143 N N . GLU A 153 ? 0.5360 0.6465 0.5876 0.0929 -0.0497 0.0599 148 GLU A N 1144 C CA . GLU A 153 ? 0.5190 0.6026 0.5648 0.0975 -0.0465 0.0541 148 GLU A CA 1145 C C . GLU A 153 ? 0.4794 0.5509 0.5247 0.1105 -0.0443 0.0570 148 GLU A C 1146 O O . GLU A 153 ? 0.6377 0.7171 0.6859 0.1163 -0.0454 0.0638 148 GLU A O 1147 C CB . GLU A 153 ? 0.5735 0.6397 0.6111 0.0887 -0.0478 0.0492 148 GLU A CB 1148 C CG . GLU A 153 ? 0.6940 0.7620 0.7268 0.0772 -0.0465 0.0458 148 GLU A CG 1149 C CD . GLU A 153 ? 0.9308 0.9808 0.9579 0.0772 -0.0431 0.0412 148 GLU A CD 1150 O OE1 . GLU A 153 ? 1.0190 1.0669 1.0478 0.0830 -0.0416 0.0399 148 GLU A OE1 1151 O OE2 . GLU A 153 ? 0.9468 0.9853 0.9670 0.0721 -0.0415 0.0398 148 GLU A OE2 1152 N N . PRO A 154 ? 0.5522 0.6034 0.5914 0.1145 -0.0405 0.0523 149 PRO A N 1153 C CA . PRO A 154 ? 0.5274 0.5722 0.5629 0.1097 -0.0392 0.0460 149 PRO A CA 1154 C C . PRO A 154 ? 0.5180 0.5660 0.5541 0.1171 -0.0337 0.0461 149 PRO A C 1155 O O . PRO A 154 ? 0.5752 0.6278 0.6143 0.1280 -0.0295 0.0512 149 PRO A O 1156 C CB . PRO A 154 ? 0.3820 0.4040 0.4084 0.1077 -0.0397 0.0415 149 PRO A CB 1157 C CG . PRO A 154 ? 0.3511 0.3613 0.3735 0.1164 -0.0364 0.0442 149 PRO A CG 1158 C CD . PRO A 154 ? 0.4687 0.4976 0.5001 0.1214 -0.0376 0.0522 149 PRO A CD 1159 N N . VAL A 155 ? 0.3844 0.4294 0.4169 0.1123 -0.0326 0.0413 150 VAL A N 1160 C CA . VAL A 155 ? 0.5294 0.5688 0.5573 0.1181 -0.0268 0.0392 150 VAL A CA 1161 C C . VAL A 155 ? 0.5738 0.5898 0.5883 0.1152 -0.0271 0.0331 150 VAL A C 1162 O O . VAL A 155 ? 0.6964 0.7076 0.7087 0.1078 -0.0320 0.0312 150 VAL A O 1163 C CB . VAL A 155 ? 0.4999 0.5542 0.5319 0.1139 -0.0251 0.0388 150 VAL A CB 1164 C CG1 . VAL A 155 ? 0.5357 0.6176 0.5804 0.1138 -0.0252 0.0451 150 VAL A CG1 1165 C CG2 . VAL A 155 ? 0.3852 0.4339 0.4124 0.1035 -0.0284 0.0352 150 VAL A CG2 1166 N N . THR A 156 ? 0.5189 0.5215 0.5236 0.1205 -0.0212 0.0306 151 THR A N 1167 C CA . THR A 156 ? 0.4535 0.4367 0.4426 0.1149 -0.0215 0.0244 151 THR A CA 1168 C C . THR A 156 ? 0.5242 0.5087 0.5078 0.1149 -0.0180 0.0218 151 THR A C 1169 O O . THR A 156 ? 0.6501 0.6405 0.6369 0.1228 -0.0113 0.0239 151 THR A O 1170 C CB . THR A 156 ? 0.6202 0.5781 0.5946 0.1180 -0.0164 0.0219 151 THR A CB 1171 O OG1 . THR A 156 ? 0.8082 0.7602 0.7790 0.1302 -0.0061 0.0239 151 THR A OG1 1172 C CG2 . THR A 156 ? 0.6159 0.5711 0.5948 0.1183 -0.0191 0.0252 151 THR A CG2 1173 N N . VAL A 157 ? 0.4557 0.4377 0.4318 0.1067 -0.0223 0.0186 152 VAL A N 1174 C CA . VAL A 157 ? 0.4582 0.4409 0.4269 0.1060 -0.0196 0.0166 152 VAL A CA 1175 C C . VAL A 157 ? 0.5827 0.5501 0.5323 0.0990 -0.0213 0.0115 152 VAL A C 1176 O O . VAL A 157 ? 0.7199 0.6880 0.6678 0.0913 -0.0282 0.0113 152 VAL A O 1177 C CB . VAL A 157 ? 0.5456 0.5441 0.5230 0.1028 -0.0226 0.0198 152 VAL A CB 1178 C CG1 . VAL A 157 ? 0.5156 0.5130 0.4835 0.1026 -0.0190 0.0184 152 VAL A CG1 1179 C CG2 . VAL A 157 ? 0.4815 0.4945 0.4740 0.1053 -0.0210 0.0237 152 VAL A CG2 1180 N N . SER A 158 ? 0.6107 0.5652 0.5451 0.1009 -0.0147 0.0076 153 SER A N 1181 C CA . SER A 158 ? 0.6176 0.5595 0.5303 0.0917 -0.0163 0.0023 153 SER A CA 1182 C C . SER A 158 ? 0.6263 0.5693 0.5312 0.0943 -0.0114 0.0015 153 SER A C 1183 O O . SER A 158 ? 0.7215 0.6724 0.6373 0.1032 -0.0054 0.0045 153 SER A O 1184 C CB . SER A 158 ? 0.5464 0.4602 0.4386 0.0883 -0.0112 -0.0038 153 SER A CB 1185 O OG . SER A 158 ? 0.9772 0.8739 0.8605 0.0988 0.0016 -0.0055 153 SER A OG 1186 N N . TRP A 159 ? 0.5834 0.5209 0.4693 0.0852 -0.0143 -0.0020 154 TRP A N 1187 C CA . TRP A 159 ? 0.6206 0.5589 0.4964 0.0865 -0.0104 -0.0024 154 TRP A CA 1188 C C . TRP A 159 ? 0.6798 0.5928 0.5251 0.0802 -0.0050 -0.0104 154 TRP A C 1189 O O . TRP A 159 ? 0.6067 0.5115 0.4357 0.0674 -0.0107 -0.0145 154 TRP A O 1190 C CB . TRP A 159 ? 0.5457 0.5045 0.4258 0.0819 -0.0192 0.0031 154 TRP A CB 1191 C CG . TRP A 159 ? 0.4615 0.4374 0.3649 0.0889 -0.0198 0.0101 154 TRP A CG 1192 C CD1 . TRP A 159 ? 0.4862 0.4726 0.4064 0.0891 -0.0251 0.0142 154 TRP A CD1 1193 C CD2 . TRP A 159 ? 0.6409 0.6225 0.5504 0.0951 -0.0135 0.0132 154 TRP A CD2 1194 N NE1 . TRP A 159 ? 0.5174 0.5132 0.4514 0.0944 -0.0221 0.0191 154 TRP A NE1 1195 C CE2 . TRP A 159 ? 0.4134 0.4068 0.3413 0.0973 -0.0152 0.0185 154 TRP A CE2 1196 C CE3 . TRP A 159 ? 0.5488 0.5254 0.4481 0.0979 -0.0059 0.0118 154 TRP A CE3 1197 C CZ2 . TRP A 159 ? 0.5536 0.5525 0.4883 0.1003 -0.0096 0.0219 154 TRP A CZ2 1198 C CZ3 . TRP A 159 ? 0.5776 0.5627 0.4867 0.1018 -0.0007 0.0159 154 TRP A CZ3 1199 C CH2 . TRP A 159 ? 0.6697 0.6652 0.5955 0.1020 -0.0026 0.0206 154 TRP A CH2 1200 N N . ASN A 160 ? 0.6039 0.5044 0.4401 0.0882 0.0068 -0.0126 155 ASN A N 1201 C CA . ASN A 160 ? 0.5716 0.4421 0.3750 0.0838 0.0158 -0.0208 155 ASN A CA 1202 C C . ASN A 160 ? 0.8023 0.6463 0.5899 0.0781 0.0185 -0.0267 155 ASN A C 1203 O O . ASN A 160 ? 0.7306 0.5516 0.4868 0.0642 0.0192 -0.0345 155 ASN A O 1204 C CB . ASN A 160 ? 0.6537 0.5265 0.4357 0.0709 0.0094 -0.0234 155 ASN A CB 1205 C CG . ASN A 160 ? 0.7501 0.6411 0.5413 0.0777 0.0104 -0.0179 155 ASN A CG 1206 O OD1 . ASN A 160 ? 0.7790 0.6774 0.5891 0.0905 0.0177 -0.0138 155 ASN A OD1 1207 N ND2 . ASN A 160 ? 0.7984 0.6978 0.5754 0.0683 0.0033 -0.0170 155 ASN A ND2 1208 N N . SER A 161 ? 0.5792 0.4258 0.3868 0.0874 0.0201 -0.0227 156 SER A N 1209 C CA . SER A 161 ? 0.7667 0.5848 0.5600 0.0854 0.0257 -0.0269 156 SER A CA 1210 C C . SER A 161 ? 0.8166 0.6292 0.5934 0.0640 0.0149 -0.0324 156 SER A C 1211 O O . SER A 161 ? 0.9011 0.6796 0.6460 0.0534 0.0213 -0.0405 156 SER A O 1212 C CB . SER A 161 ? 0.7871 0.5664 0.5522 0.0930 0.0447 -0.0322 156 SER A CB 1213 O OG . SER A 161 ? 0.7959 0.5858 0.5743 0.1107 0.0545 -0.0269 156 SER A OG 1214 N N . GLY A 162 ? 0.7092 0.5551 0.5060 0.0569 -0.0005 -0.0274 157 GLY A N 1215 C CA . GLY A 162 ? 0.7128 0.5641 0.5003 0.0373 -0.0119 -0.0298 157 GLY A CA 1216 C C . GLY A 162 ? 0.8080 0.6644 0.5729 0.0208 -0.0183 -0.0334 157 GLY A C 1217 O O . GLY A 162 ? 0.8738 0.7435 0.6334 0.0033 -0.0294 -0.0335 157 GLY A O 1218 N N . ALA A 163 ? 0.7600 0.6090 0.5111 0.0252 -0.0119 -0.0355 158 ALA A N 1219 C CA . ALA A 163 ? 0.8259 0.6809 0.5535 0.0094 -0.0182 -0.0383 158 ALA A CA 1220 C C . ALA A 163 ? 0.8752 0.7737 0.6254 0.0114 -0.0314 -0.0276 158 ALA A C 1221 O O . ALA A 163 ? 0.8821 0.7944 0.6166 -0.0017 -0.0394 -0.0269 158 ALA A O 1222 C CB . ALA A 163 ? 0.7373 0.5641 0.4374 0.0132 -0.0048 -0.0448 158 ALA A CB 1223 N N . LEU A 164 ? 0.8501 0.7692 0.6345 0.0272 -0.0328 -0.0188 159 LEU A N 1224 C CA . LEU A 164 ? 0.7834 0.7377 0.5883 0.0322 -0.0418 -0.0078 159 LEU A CA 1225 C C . LEU A 164 ? 0.7522 0.7251 0.5851 0.0358 -0.0480 -0.0011 159 LEU A C 1226 O O . LEU A 164 ? 0.8538 0.8230 0.7059 0.0482 -0.0426 0.0005 159 LEU A O 1227 C CB . LEU A 164 ? 0.7274 0.6821 0.5408 0.0476 -0.0338 -0.0044 159 LEU A CB 1228 C CG . LEU A 164 ? 0.6935 0.6766 0.5254 0.0549 -0.0392 0.0072 159 LEU A CG 1229 C CD1 . LEU A 164 ? 0.5950 0.5965 0.4123 0.0450 -0.0486 0.0118 159 LEU A CD1 1230 C CD2 . LEU A 164 ? 0.6585 0.6365 0.4962 0.0677 -0.0293 0.0089 159 LEU A CD2 1231 N N . THR A 165 ? 0.8468 0.8414 0.6812 0.0243 -0.0591 0.0032 160 THR A N 1232 C CA . THR A 165 ? 0.8750 0.8894 0.7348 0.0275 -0.0647 0.0105 160 THR A CA 1233 C C . THR A 165 ? 0.7536 0.8043 0.6275 0.0308 -0.0728 0.0237 160 THR A C 1234 O O . THR A 165 ? 0.7747 0.8381 0.6714 0.0415 -0.0726 0.0317 160 THR A O 1235 C CB . THR A 165 ? 0.9685 0.9773 0.8208 0.0117 -0.0690 0.0054 160 THR A CB 1236 O OG1 . THR A 165 ? 0.9435 0.9696 0.7791 -0.0068 -0.0784 0.0059 160 THR A OG1 1237 C CG2 . THR A 165 ? 1.0403 1.0086 0.8743 0.0096 -0.0588 -0.0067 160 THR A CG2 1238 N N . SER A 166 ? 0.7475 0.8147 0.6067 0.0223 -0.0791 0.0270 161 SER A N 1239 C CA . SER A 166 ? 0.7773 0.8811 0.6490 0.0280 -0.0857 0.0421 161 SER A CA 1240 C C . SER A 166 ? 0.7410 0.8413 0.6243 0.0482 -0.0775 0.0490 161 SER A C 1241 O O . SER A 166 ? 0.7072 0.7883 0.5786 0.0522 -0.0706 0.0439 161 SER A O 1242 C CB . SER A 166 ? 0.7880 0.9109 0.6388 0.0142 -0.0943 0.0444 161 SER A CB 1243 O OG . SER A 166 ? 0.9379 1.0972 0.8005 0.0237 -0.0992 0.0615 161 SER A OG 1244 N N . GLY A 167 ? 0.6062 0.7233 0.5109 0.0601 -0.0768 0.0605 162 GLY A N 1245 C CA . GLY A 167 ? 0.6121 0.7223 0.5246 0.0771 -0.0676 0.0671 162 GLY A CA 1246 C C . GLY A 167 ? 0.6761 0.7606 0.5977 0.0834 -0.0585 0.0597 162 GLY A C 1247 O O . GLY A 167 ? 0.7002 0.7753 0.6247 0.0940 -0.0500 0.0630 162 GLY A O 1248 N N . VAL A 168 ? 0.5688 0.6422 0.4940 0.0764 -0.0598 0.0505 163 VAL A N 1249 C CA . VAL A 168 ? 0.4842 0.5377 0.4178 0.0815 -0.0523 0.0443 163 VAL A CA 1250 C C . VAL A 168 ? 0.5108 0.5710 0.4619 0.0872 -0.0516 0.0506 163 VAL A C 1251 O O . VAL A 168 ? 0.5665 0.6431 0.5241 0.0843 -0.0575 0.0560 163 VAL A O 1252 C CB . VAL A 168 ? 0.5608 0.5968 0.4870 0.0736 -0.0523 0.0325 163 VAL A CB 1253 C CG1 . VAL A 168 ? 0.3995 0.4219 0.3368 0.0799 -0.0457 0.0288 163 VAL A CG1 1254 C CG2 . VAL A 168 ? 0.5124 0.5368 0.4178 0.0690 -0.0502 0.0261 163 VAL A CG2 1255 N N . HIS A 169 ? 0.4515 0.4999 0.4090 0.0942 -0.0437 0.0503 164 HIS A N 1256 C CA . HIS A 169 ? 0.4060 0.4539 0.3760 0.0982 -0.0411 0.0538 164 HIS A CA 1257 C C . HIS A 169 ? 0.4164 0.4490 0.3896 0.0975 -0.0362 0.0464 164 HIS A C 1258 O O . HIS A 169 ? 0.5726 0.5974 0.5412 0.0990 -0.0305 0.0440 164 HIS A O 1259 C CB . HIS A 169 ? 0.5610 0.6121 0.5319 0.1076 -0.0349 0.0646 164 HIS A CB 1260 C CG . HIS A 169 ? 0.5784 0.6511 0.5494 0.1112 -0.0393 0.0757 164 HIS A CG 1261 N ND1 . HIS A 169 ? 0.4837 0.5749 0.4645 0.1094 -0.0454 0.0808 164 HIS A ND1 1262 C CD2 . HIS A 169 ? 0.5457 0.6280 0.5092 0.1169 -0.0384 0.0842 164 HIS A CD2 1263 C CE1 . HIS A 169 ? 0.4997 0.6144 0.4803 0.1135 -0.0487 0.0924 164 HIS A CE1 1264 N NE2 . HIS A 169 ? 0.5047 0.6142 0.4744 0.1187 -0.0447 0.0950 164 HIS A NE2 1265 N N . THR A 170 ? 0.4656 0.4965 0.4469 0.0949 -0.0384 0.0436 165 THR A N 1266 C CA . THR A 170 ? 0.4253 0.4476 0.4113 0.0945 -0.0348 0.0389 165 THR A CA 1267 C C . THR A 170 ? 0.4045 0.4261 0.3973 0.0954 -0.0327 0.0425 165 THR A C 1268 O O . THR A 170 ? 0.4921 0.5183 0.4897 0.0948 -0.0365 0.0449 165 THR A O 1269 C CB . THR A 170 ? 0.5241 0.5423 0.5103 0.0916 -0.0378 0.0326 165 THR A CB 1270 O OG1 . THR A 170 ? 0.6087 0.6226 0.5848 0.0913 -0.0367 0.0287 165 THR A OG1 1271 C CG2 . THR A 170 ? 0.3427 0.3585 0.3362 0.0928 -0.0349 0.0307 165 THR A CG2 1272 N N . PHE A 171 ? 0.3704 0.3854 0.3617 0.0955 -0.0263 0.0426 166 PHE A N 1273 C CA . PHE A 171 ? 0.4129 0.4225 0.4048 0.0958 -0.0221 0.0461 166 PHE A CA 1274 C C . PHE A 171 ? 0.5338 0.5430 0.5314 0.0910 -0.0244 0.0423 166 PHE A C 1275 O O . PHE A 171 ? 0.5539 0.5671 0.5549 0.0885 -0.0271 0.0380 166 PHE A O 1276 C CB . PHE A 171 ? 0.4417 0.4394 0.4237 0.0959 -0.0123 0.0479 166 PHE A CB 1277 C CG . PHE A 171 ? 0.4237 0.4204 0.3986 0.1025 -0.0086 0.0536 166 PHE A CG 1278 C CD1 . PHE A 171 ? 0.4912 0.4854 0.4629 0.1104 -0.0037 0.0625 166 PHE A CD1 1279 C CD2 . PHE A 171 ? 0.4108 0.4102 0.3820 0.1021 -0.0092 0.0514 166 PHE A CD2 1280 C CE1 . PHE A 171 ? 0.5896 0.5857 0.5549 0.1183 -0.0002 0.0700 166 PHE A CE1 1281 C CE2 . PHE A 171 ? 0.4611 0.4604 0.4244 0.1083 -0.0061 0.0575 166 PHE A CE2 1282 C CZ . PHE A 171 ? 0.5359 0.5343 0.4964 0.1166 -0.0020 0.0673 166 PHE A CZ 1283 N N . PRO A 172 ? 0.5694 0.5747 0.5677 0.0909 -0.0229 0.0449 167 PRO A N 1284 C CA . PRO A 172 ? 0.4457 0.4505 0.4472 0.0858 -0.0249 0.0420 167 PRO A CA 1285 C C . PRO A 172 ? 0.5255 0.5278 0.5221 0.0791 -0.0211 0.0388 167 PRO A C 1286 O O . PRO A 172 ? 0.4685 0.4619 0.4557 0.0770 -0.0138 0.0391 167 PRO A O 1287 C CB . PRO A 172 ? 0.3359 0.3342 0.3356 0.0872 -0.0214 0.0460 167 PRO A CB 1288 C CG . PRO A 172 ? 0.5670 0.5691 0.5676 0.0948 -0.0200 0.0522 167 PRO A CG 1289 C CD . PRO A 172 ? 0.5224 0.5248 0.5184 0.0965 -0.0185 0.0519 167 PRO A CD 1290 N N . ALA A 173 ? 0.5113 0.5226 0.5138 0.0752 -0.0256 0.0366 168 ALA A N 1291 C CA . ALA A 173 ? 0.5027 0.5197 0.5027 0.0668 -0.0237 0.0346 168 ALA A CA 1292 C C . ALA A 173 ? 0.5192 0.5236 0.5066 0.0577 -0.0179 0.0340 168 ALA A C 1293 O O . ALA A 173 ? 0.5975 0.5938 0.5822 0.0584 -0.0176 0.0351 168 ALA A O 1294 C CB . ALA A 173 ? 0.4574 0.4916 0.4679 0.0670 -0.0302 0.0350 168 ALA A CB 1295 N N . VAL A 174 ? 0.5097 0.5100 0.4871 0.0481 -0.0120 0.0319 169 VAL A N 1296 C CA . VAL A 174 ? 0.5307 0.5167 0.4913 0.0351 -0.0055 0.0297 169 VAL A CA 1297 C C . VAL A 174 ? 0.5754 0.5830 0.5396 0.0222 -0.0114 0.0280 169 VAL A C 1298 O O . VAL A 174 ? 0.5165 0.5473 0.4932 0.0225 -0.0161 0.0290 169 VAL A O 1299 C CB . VAL A 174 ? 0.6500 0.6127 0.5918 0.0302 0.0069 0.0284 169 VAL A CB 1300 C CG1 . VAL A 174 ? 0.7408 0.6891 0.6817 0.0458 0.0121 0.0329 169 VAL A CG1 1301 C CG2 . VAL A 174 ? 0.6984 0.6736 0.6414 0.0217 0.0073 0.0263 169 VAL A CG2 1302 N N . LEU A 175 ? 0.6226 0.6246 0.5756 0.0112 -0.0109 0.0265 170 LEU A N 1303 C CA . LEU A 175 ? 0.5319 0.5574 0.4859 -0.0036 -0.0169 0.0261 170 LEU A CA 1304 C C . LEU A 175 ? 0.6341 0.6510 0.5686 -0.0239 -0.0091 0.0216 170 LEU A C 1305 O O . LEU A 175 ? 0.7184 0.7033 0.6282 -0.0331 0.0010 0.0176 170 LEU A O 1306 C CB . LEU A 175 ? 0.4459 0.4702 0.3952 -0.0070 -0.0208 0.0267 170 LEU A CB 1307 C CG . LEU A 175 ? 0.5847 0.6384 0.5354 -0.0218 -0.0288 0.0282 170 LEU A CG 1308 C CD1 . LEU A 175 ? 0.4653 0.5570 0.4407 -0.0135 -0.0373 0.0340 170 LEU A CD1 1309 C CD2 . LEU A 175 ? 0.4958 0.5472 0.4422 -0.0219 -0.0330 0.0297 170 LEU A CD2 1310 N N . GLN A 176 ? 0.6497 0.6934 0.5938 -0.0307 -0.0124 0.0225 171 GLN A N 1311 C CA . GLN A 176 ? 0.6878 0.7269 0.6138 -0.0528 -0.0054 0.0182 171 GLN A CA 1312 C C . GLN A 176 ? 0.6257 0.6768 0.5387 -0.0764 -0.0090 0.0161 171 GLN A C 1313 O O . GLN A 176 ? 0.6178 0.6894 0.5406 -0.0739 -0.0187 0.0196 171 GLN A O 1314 C CB . GLN A 176 ? 0.7267 0.7947 0.6692 -0.0524 -0.0076 0.0207 171 GLN A CB 1315 C CG . GLN A 176 ? 0.7013 0.7589 0.6545 -0.0308 -0.0047 0.0225 171 GLN A CG 1316 C CD . GLN A 176 ? 0.8219 0.9062 0.7894 -0.0302 -0.0054 0.0249 171 GLN A CD 1317 O OE1 . GLN A 176 ? 1.0062 1.0775 0.9626 -0.0374 0.0033 0.0223 171 GLN A OE1 1318 N NE2 . GLN A 176 ? 0.7209 0.8415 0.7123 -0.0206 -0.0142 0.0305 171 GLN A NE2 1319 N N . SER A 177 ? 0.7280 0.7650 0.6160 -0.1011 -0.0008 0.0103 172 SER A N 1320 C CA . SER A 177 ? 0.8325 0.8796 0.7029 -0.1284 -0.0038 0.0073 172 SER A CA 1321 C C . SER A 177 ? 0.7774 0.8862 0.6720 -0.1359 -0.0186 0.0140 172 SER A C 1322 O O . SER A 177 ? 0.8188 0.9460 0.7025 -0.1579 -0.0243 0.0134 172 SER A O 1323 C CB . SER A 177 ? 0.8369 0.8510 0.6709 -0.1559 0.0101 -0.0013 172 SER A CB 1324 O OG . SER A 177 ? 1.0591 1.0863 0.9011 -0.1597 0.0130 -0.0007 172 SER A OG 1325 N N . SER A 178 ? 0.7257 0.8671 0.6514 -0.1180 -0.0243 0.0210 173 SER A N 1326 C CA . SER A 178 ? 0.6267 0.8285 0.5788 -0.1186 -0.0366 0.0303 173 SER A CA 1327 C C . SER A 178 ? 0.6469 0.8676 0.6183 -0.0980 -0.0469 0.0382 173 SER A C 1328 O O . SER A 178 ? 0.6843 0.9549 0.6771 -0.0952 -0.0565 0.0481 173 SER A O 1329 C CB . SER A 178 ? 0.6215 0.8463 0.5962 -0.1070 -0.0351 0.0348 173 SER A CB 1330 O OG . SER A 178 ? 0.6261 0.8262 0.6111 -0.0782 -0.0318 0.0352 173 SER A OG 1331 N N . GLY A 179 ? 0.5767 0.7598 0.5411 -0.0829 -0.0442 0.0352 174 GLY A N 1332 C CA . GLY A 179 ? 0.4264 0.6209 0.4081 -0.0618 -0.0519 0.0423 174 GLY A CA 1333 C C . GLY A 179 ? 0.5174 0.7120 0.5215 -0.0336 -0.0514 0.0466 174 GLY A C 1334 O O . GLY A 179 ? 0.6242 0.8170 0.6381 -0.0158 -0.0553 0.0509 174 GLY A O 1335 N N . LEU A 180 ? 0.5035 0.6978 0.5133 -0.0304 -0.0461 0.0451 175 LEU A N 1336 C CA . LEU A 180 ? 0.5198 0.7123 0.5465 -0.0064 -0.0445 0.0481 175 LEU A CA 1337 C C . LEU A 180 ? 0.5187 0.6671 0.5336 0.0009 -0.0370 0.0410 175 LEU A C 1338 O O . LEU A 180 ? 0.5762 0.6992 0.5719 -0.0118 -0.0303 0.0347 175 LEU A O 1339 C CB . LEU A 180 ? 0.3481 0.5719 0.3892 -0.0062 -0.0431 0.0524 175 LEU A CB 1340 C CG . LEU A 180 ? 0.4829 0.7587 0.5369 -0.0159 -0.0499 0.0613 175 LEU A CG 1341 C CD1 . LEU A 180 ? 0.4209 0.7281 0.4894 -0.0162 -0.0467 0.0658 175 LEU A CD1 1342 C CD2 . LEU A 180 ? 0.3380 0.6339 0.4071 0.0019 -0.0569 0.0712 175 LEU A CD2 1343 N N . TYR A 181 ? 0.5073 0.6471 0.5324 0.0214 -0.0375 0.0427 176 TYR A N 1344 C CA . TYR A 181 ? 0.4625 0.5680 0.4790 0.0293 -0.0324 0.0380 176 TYR A CA 1345 C C . TYR A 181 ? 0.4865 0.5897 0.5046 0.0334 -0.0270 0.0367 176 TYR A C 1346 O O . TYR A 181 ? 0.3803 0.5079 0.4090 0.0340 -0.0272 0.0397 176 TYR A O 1347 C CB . TYR A 181 ? 0.4680 0.5645 0.4914 0.0456 -0.0360 0.0399 176 TYR A CB 1348 C CG . TYR A 181 ? 0.4652 0.5592 0.4856 0.0432 -0.0402 0.0412 176 TYR A CG 1349 C CD1 . TYR A 181 ? 0.5064 0.5746 0.5149 0.0412 -0.0375 0.0380 176 TYR A CD1 1350 C CD2 . TYR A 181 ? 0.5382 0.6567 0.5677 0.0442 -0.0463 0.0470 176 TYR A CD2 1351 C CE1 . TYR A 181 ? 0.5450 0.6102 0.5499 0.0390 -0.0405 0.0392 176 TYR A CE1 1352 C CE2 . TYR A 181 ? 0.5810 0.6967 0.6063 0.0420 -0.0500 0.0486 176 TYR A CE2 1353 C CZ . TYR A 181 ? 0.5231 0.6111 0.5357 0.0388 -0.0471 0.0441 176 TYR A CZ 1354 O OH . TYR A 181 ? 0.6780 0.7627 0.6856 0.0365 -0.0500 0.0457 176 TYR A OH 1355 N N . SER A 182 ? 0.4756 0.5508 0.4830 0.0369 -0.0217 0.0332 177 SER A N 1356 C CA . SER A 182 ? 0.5056 0.5759 0.5134 0.0436 -0.0174 0.0325 177 SER A CA 1357 C C . SER A 182 ? 0.4566 0.5016 0.4569 0.0526 -0.0153 0.0315 177 SER A C 1358 O O . SER A 182 ? 0.5083 0.5369 0.4998 0.0506 -0.0137 0.0311 177 SER A O 1359 C CB . SER A 182 ? 0.5405 0.6117 0.5396 0.0305 -0.0105 0.0307 177 SER A CB 1360 O OG . SER A 182 ? 0.7196 0.7644 0.6993 0.0208 -0.0038 0.0278 177 SER A OG 1361 N N . LEU A 183 ? 0.4403 0.4841 0.4438 0.0627 -0.0151 0.0318 178 LEU A N 1362 C CA . LEU A 183 ? 0.5932 0.6202 0.5905 0.0704 -0.0143 0.0322 178 LEU A CA 1363 C C . LEU A 183 ? 0.4835 0.5088 0.4771 0.0744 -0.0107 0.0319 178 LEU A C 1364 O O . LEU A 183 ? 0.4964 0.5325 0.4932 0.0722 -0.0083 0.0311 178 LEU A O 1365 C CB . LEU A 183 ? 0.5681 0.5959 0.5721 0.0780 -0.0211 0.0328 178 LEU A CB 1366 C CG . LEU A 183 ? 0.5156 0.5516 0.5272 0.0848 -0.0250 0.0321 178 LEU A CG 1367 C CD1 . LEU A 183 ? 0.5038 0.5358 0.5105 0.0897 -0.0230 0.0307 178 LEU A CD1 1368 C CD2 . LEU A 183 ? 0.3823 0.4137 0.3962 0.0877 -0.0301 0.0325 178 LEU A CD2 1369 N N . SER A 184 ? 0.5187 0.5332 0.5060 0.0805 -0.0103 0.0335 179 SER A N 1370 C CA . SER A 184 ? 0.6003 0.6119 0.5813 0.0846 -0.0074 0.0340 179 SER A CA 1371 C C . SER A 184 ? 0.5660 0.5782 0.5471 0.0914 -0.0135 0.0347 179 SER A C 1372 O O . SER A 184 ? 0.5821 0.5938 0.5657 0.0928 -0.0177 0.0366 179 SER A O 1373 C CB . SER A 184 ? 0.6442 0.6420 0.6125 0.0834 0.0008 0.0372 179 SER A CB 1374 O OG . SER A 184 ? 0.9001 0.8947 0.8642 0.0734 0.0074 0.0353 179 SER A OG 1375 N N . SER A 185 ? 0.4861 0.4996 0.4630 0.0940 -0.0134 0.0331 180 SER A N 1376 C CA . SER A 185 ? 0.4246 0.4377 0.3964 0.0968 -0.0187 0.0330 180 SER A CA 1377 C C . SER A 185 ? 0.4904 0.5011 0.4508 0.0986 -0.0153 0.0349 180 SER A C 1378 O O . SER A 185 ? 0.4860 0.4950 0.4431 0.0984 -0.0097 0.0330 180 SER A O 1379 C CB . SER A 185 ? 0.4926 0.5053 0.4656 0.0971 -0.0214 0.0279 180 SER A CB 1380 O OG . SER A 185 ? 0.5596 0.5691 0.5225 0.0960 -0.0256 0.0266 180 SER A OG 1381 N N . VAL A 186 ? 0.4910 0.5041 0.4458 0.1006 -0.0186 0.0399 181 VAL A N 1382 C CA . VAL A 186 ? 0.5020 0.5145 0.4452 0.1034 -0.0156 0.0442 181 VAL A CA 1383 C C . VAL A 186 ? 0.5463 0.5676 0.4826 0.1022 -0.0237 0.0455 181 VAL A C 1384 O O . VAL A 186 ? 0.5306 0.5590 0.4718 0.0992 -0.0309 0.0452 181 VAL A O 1385 C CB . VAL A 186 ? 0.4875 0.4959 0.4286 0.1084 -0.0094 0.0528 181 VAL A CB 1386 C CG1 . VAL A 186 ? 0.3943 0.3916 0.3379 0.1052 -0.0012 0.0500 181 VAL A CG1 1387 C CG2 . VAL A 186 ? 0.4908 0.5076 0.4380 0.1119 -0.0140 0.0594 181 VAL A CG2 1388 N N . VAL A 187 ? 0.5244 0.5456 0.4476 0.1028 -0.0224 0.0467 182 VAL A N 1389 C CA . VAL A 187 ? 0.5028 0.5345 0.4156 0.0993 -0.0303 0.0486 182 VAL A CA 1390 C C . VAL A 187 ? 0.6062 0.6423 0.5081 0.1046 -0.0275 0.0571 182 VAL A C 1391 O O . VAL A 187 ? 0.5813 0.6060 0.4782 0.1082 -0.0186 0.0569 182 VAL A O 1392 C CB . VAL A 187 ? 0.5761 0.5991 0.4782 0.0915 -0.0322 0.0378 182 VAL A CB 1393 C CG1 . VAL A 187 ? 0.6193 0.6285 0.5151 0.0942 -0.0228 0.0327 182 VAL A CG1 1394 C CG2 . VAL A 187 ? 0.5307 0.5631 0.4171 0.0837 -0.0404 0.0386 182 VAL A CG2 1395 N N . THR A 188 ? 0.5176 0.5725 0.4163 0.1051 -0.0347 0.0660 183 THR A N 1396 C CA . THR A 188 ? 0.6160 0.6790 0.5026 0.1106 -0.0335 0.0759 183 THR A CA 1397 C C . THR A 188 ? 0.6704 0.7406 0.5397 0.1004 -0.0413 0.0714 183 THR A C 1398 O O . THR A 188 ? 0.7672 0.8476 0.6355 0.0898 -0.0507 0.0672 183 THR A O 1399 C CB . THR A 188 ? 0.6501 0.7334 0.5444 0.1202 -0.0353 0.0922 183 THR A CB 1400 O OG1 . THR A 188 ? 0.7676 0.8695 0.6738 0.1147 -0.0448 0.0928 183 THR A OG1 1401 C CG2 . THR A 188 ? 0.5467 0.6132 0.4472 0.1320 -0.0224 0.0977 183 THR A CG2 1402 N N . VAL A 189 ? 0.6605 0.7228 0.5139 0.1022 -0.0363 0.0717 184 VAL A N 1403 C CA . VAL A 189 ? 0.6467 0.7092 0.4785 0.0919 -0.0410 0.0656 184 VAL A CA 1404 C C . VAL A 189 ? 0.7673 0.8380 0.5846 0.0979 -0.0395 0.0766 184 VAL A C 1405 O O . VAL A 189 ? 0.7732 0.8407 0.5959 0.1107 -0.0313 0.0862 184 VAL A O 1406 C CB . VAL A 189 ? 0.6210 0.6568 0.4448 0.0871 -0.0334 0.0505 184 VAL A CB 1407 C CG1 . VAL A 189 ? 0.5547 0.5819 0.3920 0.0833 -0.0340 0.0414 184 VAL A CG1 1408 C CG2 . VAL A 189 ? 0.6292 0.6504 0.4542 0.0966 -0.0206 0.0517 184 VAL A CG2 1409 N N . PRO A 190 ? 0.8401 0.9198 0.6364 0.0881 -0.0466 0.0754 185 PRO A N 1410 C CA . PRO A 190 ? 0.8154 0.9026 0.5953 0.0938 -0.0450 0.0859 185 PRO A CA 1411 C C . PRO A 190 ? 0.8413 0.9000 0.6134 0.0998 -0.0306 0.0805 185 PRO A C 1412 O O . PRO A 190 ? 0.9154 0.9525 0.6823 0.0936 -0.0252 0.0662 185 PRO A O 1413 C CB . PRO A 190 ? 0.7448 0.8450 0.5012 0.0772 -0.0563 0.0819 185 PRO A CB 1414 C CG . PRO A 190 ? 0.8079 0.9175 0.5732 0.0647 -0.0659 0.0753 185 PRO A CG 1415 C CD . PRO A 190 ? 0.8073 0.8921 0.5915 0.0704 -0.0568 0.0659 185 PRO A CD 1416 N N . SER A 191 ? 0.8404 0.8989 0.6113 0.1128 -0.0232 0.0932 186 SER A N 1417 C CA . SER A 191 ? 0.9152 0.9482 0.6783 0.1172 -0.0089 0.0893 186 SER A CA 1418 C C . SER A 191 ? 0.9712 0.9970 0.7086 0.1094 -0.0082 0.0826 186 SER A C 1419 O O . SER A 191 ? 1.0412 1.0458 0.7728 0.1099 0.0035 0.0755 186 SER A O 1420 C CB . SER A 191 ? 0.8914 0.9215 0.6552 0.1318 0.0005 0.1046 186 SER A CB 1421 O OG . SER A 191 ? 1.1178 1.1720 0.8734 0.1382 -0.0069 0.1210 186 SER A OG 1422 N N . SER A 192 ? 0.9247 0.9684 0.6456 0.1009 -0.0202 0.0846 187 SER A N 1423 C CA . SER A 192 ? 1.0566 1.0897 0.7491 0.0907 -0.0195 0.0757 187 SER A CA 1424 C C . SER A 192 ? 1.0827 1.0938 0.7725 0.0804 -0.0160 0.0568 187 SER A C 1425 O O . SER A 192 ? 1.1422 1.1347 0.8094 0.0749 -0.0093 0.0477 187 SER A O 1426 C CB . SER A 192 ? 1.0292 1.0890 0.7023 0.0814 -0.0340 0.0830 187 SER A CB 1427 O OG . SER A 192 ? 1.0776 1.1596 0.7639 0.0739 -0.0471 0.0838 187 SER A OG 1428 N N . SER A 193 ? 1.0019 1.0135 0.7130 0.0789 -0.0190 0.0516 188 SER A N 1429 C CA . SER A 193 ? 1.1412 1.1313 0.8502 0.0718 -0.0144 0.0357 188 SER A CA 1430 C C . SER A 193 ? 1.1643 1.1346 0.8842 0.0811 0.0011 0.0306 188 SER A C 1431 O O . SER A 193 ? 1.0890 1.0396 0.8003 0.0783 0.0090 0.0193 188 SER A O 1432 C CB . SER A 193 ? 1.2458 1.2443 0.9731 0.0674 -0.0229 0.0331 188 SER A CB 1433 O OG . SER A 193 ? 1.4279 1.4500 1.1476 0.0575 -0.0375 0.0388 188 SER A OG 1434 N N . LEU A 194 ? 1.1518 1.1270 0.8896 0.0916 0.0065 0.0392 189 LEU A N 1435 C CA . LEU A 194 ? 1.0749 1.0367 0.8229 0.0976 0.0205 0.0355 189 LEU A CA 1436 C C . LEU A 194 ? 1.2403 1.1883 0.9648 0.0967 0.0303 0.0316 189 LEU A C 1437 O O . LEU A 194 ? 1.3561 1.3064 1.0622 0.0968 0.0297 0.0381 189 LEU A O 1438 C CB . LEU A 194 ? 0.8877 0.8548 0.6526 0.1053 0.0247 0.0455 189 LEU A CB 1439 C CG . LEU A 194 ? 0.8080 0.7883 0.5905 0.1078 0.0160 0.0524 189 LEU A CG 1440 C CD1 . LEU A 194 ? 0.6293 0.6067 0.4199 0.1153 0.0237 0.0621 189 LEU A CD1 1441 C CD2 . LEU A 194 ? 0.7148 0.6958 0.5159 0.1045 0.0123 0.0443 189 LEU A CD2 1442 N N . GLY A 195 ? 1.2381 1.1725 0.9629 0.0968 0.0401 0.0219 190 GLY A N 1443 C CA . GLY A 195 ? 1.3359 1.2553 1.0380 0.0966 0.0513 0.0172 190 GLY A CA 1444 C C . GLY A 195 ? 1.3923 1.2955 1.0675 0.0889 0.0504 0.0071 190 GLY A C 1445 O O . GLY A 195 ? 1.5747 1.4602 1.2332 0.0903 0.0632 0.0008 190 GLY A O 1446 N N . THR A 196 ? 1.1730 1.0809 0.8419 0.0801 0.0368 0.0054 191 THR A N 1447 C CA . THR A 196 ? 1.1298 1.0185 0.7704 0.0694 0.0364 -0.0056 191 THR A CA 1448 C C . THR A 196 ? 1.1040 0.9873 0.7568 0.0668 0.0331 -0.0118 191 THR A C 1449 O O . THR A 196 ? 1.1258 0.9840 0.7557 0.0606 0.0388 -0.0223 191 THR A O 1450 C CB . THR A 196 ? 1.2021 1.0994 0.8148 0.0557 0.0232 -0.0035 191 THR A CB 1451 O OG1 . THR A 196 ? 1.2455 1.1645 0.8730 0.0498 0.0072 0.0010 191 THR A OG1 1452 C CG2 . THR A 196 ? 1.2227 1.1334 0.8298 0.0606 0.0230 0.0074 191 THR A CG2 1453 N N . GLN A 197 ? 1.0856 0.9882 0.7705 0.0713 0.0252 -0.0057 192 GLN A N 1454 C CA . GLN A 197 ? 0.9980 0.8970 0.6955 0.0691 0.0216 -0.0103 192 GLN A CA 1455 C C . GLN A 197 ? 0.8899 0.7937 0.6203 0.0824 0.0291 -0.0077 192 GLN A C 1456 O O . GLN A 197 ? 0.7789 0.7005 0.5308 0.0888 0.0280 0.0006 192 GLN A O 1457 C CB . GLN A 197 ? 0.9703 0.8910 0.6755 0.0606 0.0043 -0.0050 192 GLN A CB 1458 C CG . GLN A 197 ? 1.0849 1.0040 0.8061 0.0588 0.0004 -0.0085 192 GLN A CG 1459 C CD . GLN A 197 ? 1.2023 1.0971 0.8951 0.0455 0.0013 -0.0199 192 GLN A CD 1460 O OE1 . GLN A 197 ? 1.3303 1.2187 0.9916 0.0321 -0.0019 -0.0238 192 GLN A OE1 1461 N NE2 . GLN A 197 ? 1.1121 0.9917 0.8133 0.0481 0.0063 -0.0250 192 GLN A NE2 1462 N N . THR A 198 ? 0.8006 0.6879 0.5329 0.0861 0.0373 -0.0142 193 THR A N 1463 C CA . THR A 198 ? 0.8615 0.7578 0.6249 0.0978 0.0432 -0.0108 193 THR A CA 1464 C C . THR A 198 ? 0.8615 0.7689 0.6450 0.0955 0.0319 -0.0088 193 THR A C 1465 O O . THR A 198 ? 0.7743 0.6726 0.5451 0.0866 0.0250 -0.0133 193 THR A O 1466 C CB . THR A 198 ? 0.9852 0.8617 0.7427 0.1068 0.0594 -0.0157 193 THR A CB 1467 O OG1 . THR A 198 ? 1.1153 0.9659 0.8502 0.1010 0.0602 -0.0238 193 THR A OG1 1468 C CG2 . THR A 198 ? 0.9603 0.8273 0.7001 0.1106 0.0725 -0.0168 193 THR A CG2 1469 N N . TYR A 199 ? 0.7419 0.6687 0.5551 0.1017 0.0304 -0.0023 194 TYR A N 1470 C CA . TYR A 199 ? 0.7210 0.6592 0.5540 0.1002 0.0207 0.0004 194 TYR A CA 1471 C C . TYR A 199 ? 0.7969 0.7399 0.6522 0.1090 0.0272 0.0016 194 TYR A C 1472 O O . TYR A 199 ? 0.7761 0.7310 0.6453 0.1143 0.0336 0.0055 194 TYR A O 1473 C CB . TYR A 199 ? 0.6853 0.6421 0.5296 0.0981 0.0121 0.0081 194 TYR A CB 1474 C CG . TYR A 199 ? 0.6693 0.6279 0.4944 0.0907 0.0038 0.0096 194 TYR A CG 1475 C CD1 . TYR A 199 ? 0.7374 0.6981 0.5567 0.0824 -0.0066 0.0081 194 TYR A CD1 1476 C CD2 . TYR A 199 ? 0.6133 0.5738 0.4255 0.0913 0.0063 0.0135 194 TYR A CD2 1477 C CE1 . TYR A 199 ? 0.6968 0.6660 0.4998 0.0743 -0.0153 0.0109 194 TYR A CE1 1478 C CE2 . TYR A 199 ? 0.7437 0.7106 0.5384 0.0849 -0.0021 0.0167 194 TYR A CE2 1479 C CZ . TYR A 199 ? 0.8180 0.7916 0.6090 0.0760 -0.0135 0.0157 194 TYR A CZ 1480 O OH . TYR A 199 ? 0.8954 0.8822 0.6705 0.0682 -0.0231 0.0203 194 TYR A OH 1481 N N . ILE A 200 ? 0.7153 0.6504 0.5730 0.1095 0.0255 -0.0012 195 ILE A N 1482 C CA . ILE A 200 ? 0.6822 0.6230 0.5595 0.1188 0.0311 0.0012 195 ILE A CA 1483 C C . ILE A 200 ? 0.6503 0.5985 0.5420 0.1154 0.0207 0.0029 195 ILE A C 1484 O O . ILE A 200 ? 0.7078 0.6426 0.5871 0.1092 0.0154 -0.0010 195 ILE A O 1485 C CB . ILE A 200 ? 0.7275 0.6459 0.5901 0.1266 0.0436 -0.0028 195 ILE A CB 1486 C CG1 . ILE A 200 ? 0.6963 0.6067 0.5441 0.1309 0.0558 -0.0043 195 ILE A CG1 1487 C CG2 . ILE A 200 ? 0.7146 0.6429 0.5988 0.1381 0.0487 0.0024 195 ILE A CG2 1488 C CD1 . ILE A 200 ? 0.5844 0.4641 0.4083 0.1374 0.0697 -0.0094 195 ILE A CD1 1489 N N . CYS A 201 ? 0.5602 0.5290 0.4760 0.1179 0.0182 0.0086 196 CYS A N 1490 C CA . CYS A 201 ? 0.5492 0.5240 0.4782 0.1160 0.0103 0.0104 196 CYS A CA 1491 C C . CYS A 201 ? 0.5992 0.5731 0.5368 0.1251 0.0163 0.0118 196 CYS A C 1492 O O . CYS A 201 ? 0.5844 0.5712 0.5334 0.1329 0.0239 0.0159 196 CYS A O 1493 C CB . CYS A 201 ? 0.8396 0.8334 0.7854 0.1123 0.0048 0.0153 196 CYS A CB 1494 S SG . CYS A 201 ? 0.9589 0.9746 0.9256 0.1157 0.0104 0.0204 196 CYS A SG 1495 N N . ASN A 202 ? 0.6179 0.5776 0.5496 0.1242 0.0135 0.0095 197 ASN A N 1496 C CA . ASN A 202 ? 0.4563 0.4095 0.3917 0.1342 0.0200 0.0117 197 ASN A CA 1497 C C . ASN A 202 ? 0.5612 0.5313 0.5167 0.1334 0.0120 0.0165 197 ASN A C 1498 O O . ASN A 202 ? 0.7095 0.6751 0.6629 0.1249 0.0032 0.0145 197 ASN A O 1499 C CB . ASN A 202 ? 0.5022 0.4216 0.4120 0.1325 0.0244 0.0052 197 ASN A CB 1500 C CG . ASN A 202 ? 0.7049 0.6060 0.5893 0.1266 0.0284 -0.0016 197 ASN A CG 1501 O OD1 . ASN A 202 ? 0.8163 0.7090 0.6856 0.1133 0.0208 -0.0068 197 ASN A OD1 1502 N ND2 . ASN A 202 ? 0.6841 0.5815 0.5636 0.1362 0.0406 -0.0008 197 ASN A ND2 1503 N N . VAL A 203 ? 0.5247 0.5162 0.4990 0.1415 0.0150 0.0235 198 VAL A N 1504 C CA . VAL A 203 ? 0.4236 0.4341 0.4159 0.1394 0.0075 0.0285 198 VAL A CA 1505 C C . VAL A 203 ? 0.4661 0.4773 0.4640 0.1518 0.0127 0.0344 198 VAL A C 1506 O O . VAL A 203 ? 0.5397 0.5578 0.5412 0.1643 0.0227 0.0395 198 VAL A O 1507 C CB . VAL A 203 ? 0.4801 0.5194 0.4885 0.1345 0.0050 0.0323 198 VAL A CB 1508 C CG1 . VAL A 203 ? 0.3819 0.4375 0.4039 0.1292 -0.0028 0.0361 198 VAL A CG1 1509 C CG2 . VAL A 203 ? 0.4424 0.4759 0.4418 0.1251 0.0029 0.0277 198 VAL A CG2 1510 N N . ASN A 204 ? 0.4060 0.4109 0.4047 0.1498 0.0070 0.0350 199 ASN A N 1511 C CA . ASN A 204 ? 0.4459 0.4514 0.4494 0.1618 0.0114 0.0420 199 ASN A CA 1512 C C . ASN A 204 ? 0.4877 0.5164 0.5078 0.1571 0.0017 0.0472 199 ASN A C 1513 O O . ASN A 204 ? 0.5228 0.5499 0.5424 0.1445 -0.0073 0.0428 199 ASN A O 1514 C CB . ASN A 204 ? 0.5192 0.4865 0.5013 0.1642 0.0164 0.0376 199 ASN A CB 1515 C CG . ASN A 204 ? 0.7162 0.6576 0.6788 0.1724 0.0300 0.0344 199 ASN A CG 1516 O OD1 . ASN A 204 ? 0.8153 0.7507 0.7761 0.1891 0.0423 0.0409 199 ASN A OD1 1517 N ND2 . ASN A 204 ? 0.5626 0.4886 0.5092 0.1613 0.0286 0.0251 199 ASN A ND2 1518 N N . HIS A 205 ? 0.5304 0.5821 0.5645 0.1677 0.0043 0.0575 200 HIS A N 1519 C CA . HIS A 205 ? 0.3754 0.4504 0.4230 0.1635 -0.0044 0.0633 200 HIS A CA 1520 C C . HIS A 205 ? 0.5311 0.6067 0.5810 0.1802 0.0013 0.0735 200 HIS A C 1521 O O . HIS A 205 ? 0.4883 0.5899 0.5505 0.1930 0.0068 0.0842 200 HIS A O 1522 C CB . HIS A 205 ? 0.4496 0.5628 0.5134 0.1556 -0.0089 0.0671 200 HIS A CB 1523 C CG . HIS A 205 ? 0.5974 0.7321 0.6703 0.1470 -0.0181 0.0714 200 HIS A CG 1524 N ND1 . HIS A 205 ? 0.5989 0.7712 0.6870 0.1509 -0.0196 0.0827 200 HIS A ND1 1525 C CD2 . HIS A 205 ? 0.4027 0.5272 0.4703 0.1345 -0.0259 0.0663 200 HIS A CD2 1526 C CE1 . HIS A 205 ? 0.5499 0.7324 0.6396 0.1395 -0.0285 0.0833 200 HIS A CE1 1527 N NE2 . HIS A 205 ? 0.4451 0.5971 0.5221 0.1301 -0.0316 0.0733 200 HIS A NE2 1528 N N . LYS A 206 ? 0.4534 0.5008 0.4911 0.1806 0.0010 0.0711 201 LYS A N 1529 C CA . LYS A 206 ? 0.5216 0.5607 0.5566 0.1971 0.0081 0.0805 201 LYS A CA 1530 C C . LYS A 206 ? 0.4539 0.5351 0.5090 0.2046 0.0043 0.0948 201 LYS A C 1531 O O . LYS A 206 ? 0.5379 0.6305 0.5984 0.2241 0.0138 0.1069 201 LYS A O 1532 C CB . LYS A 206 ? 0.4292 0.4336 0.4481 0.1907 0.0060 0.0746 201 LYS A CB 1533 C CG . LYS A 206 ? 0.5732 0.5609 0.5847 0.2068 0.0148 0.0838 201 LYS A CG 1534 C CD . LYS A 206 ? 0.6148 0.5737 0.6126 0.1969 0.0111 0.0782 201 LYS A CD 1535 C CE . LYS A 206 ? 0.7797 0.7248 0.7710 0.2129 0.0194 0.0891 201 LYS A CE 1536 N NZ . LYS A 206 ? 0.8564 0.7735 0.8341 0.2029 0.0169 0.0844 201 LYS A NZ 1537 N N . PRO A 207 ? 0.4773 0.5835 0.5428 0.1904 -0.0084 0.0950 202 PRO A N 1538 C CA . PRO A 207 ? 0.3814 0.5275 0.4626 0.1960 -0.0127 0.1091 202 PRO A CA 1539 C C . PRO A 207 ? 0.4988 0.6867 0.5974 0.2052 -0.0089 0.1200 202 PRO A C 1540 O O . PRO A 207 ? 0.5044 0.7244 0.6153 0.2176 -0.0085 0.1355 202 PRO A O 1541 C CB . PRO A 207 ? 0.3782 0.5375 0.4619 0.1741 -0.0261 0.1034 202 PRO A CB 1542 C CG . PRO A 207 ? 0.3605 0.4788 0.4285 0.1632 -0.0271 0.0889 202 PRO A CG 1543 C CD . PRO A 207 ? 0.3813 0.4807 0.4430 0.1692 -0.0184 0.0834 202 PRO A CD 1544 N N . SER A 208 ? 0.5541 0.7451 0.6545 0.2002 -0.0059 0.1138 203 SER A N 1545 C CA . SER A 208 ? 0.4908 0.7223 0.6083 0.2085 -0.0010 0.1242 203 SER A CA 1546 C C . SER A 208 ? 0.5013 0.7121 0.6126 0.2289 0.0152 0.1262 203 SER A C 1547 O O . SER A 208 ? 0.4138 0.6575 0.5396 0.2392 0.0218 0.1362 203 SER A O 1548 C CB . SER A 208 ? 0.4603 0.7147 0.5845 0.1866 -0.0083 0.1170 203 SER A CB 1549 O OG . SER A 208 ? 0.5087 0.7273 0.6187 0.1802 -0.0046 0.1029 203 SER A OG 1550 N N . ASN A 209 ? 0.4751 0.6327 0.5641 0.2338 0.0225 0.1170 204 ASN A N 1551 C CA . ASN A 209 ? 0.5273 0.6559 0.6033 0.2512 0.0396 0.1168 204 ASN A CA 1552 C C . ASN A 209 ? 0.5194 0.6560 0.5976 0.2441 0.0421 0.1101 204 ASN A C 1553 O O . ASN A 209 ? 0.5167 0.6563 0.5957 0.2599 0.0558 0.1160 204 ASN A O 1554 C CB . ASN A 209 ? 0.4603 0.6050 0.5446 0.2795 0.0527 0.1357 204 ASN A CB 1555 C CG . ASN A 209 ? 0.6607 0.7604 0.7233 0.2989 0.0736 0.1348 204 ASN A CG 1556 O OD1 . ASN A 209 ? 0.6753 0.7225 0.7112 0.2911 0.0772 0.1202 204 ASN A OD1 1557 N ND2 . ASN A 209 ? 0.6111 0.7315 0.6833 0.3222 0.0879 0.1503 204 ASN A ND2 1558 N N . THR A 210 ? 0.5478 0.6852 0.6252 0.2211 0.0302 0.0982 205 THR A N 1559 C CA . THR A 210 ? 0.5515 0.6937 0.6287 0.2119 0.0315 0.0912 205 THR A CA 1560 C C . THR A 210 ? 0.5616 0.6543 0.6129 0.2079 0.0359 0.0774 205 THR A C 1561 O O . THR A 210 ? 0.6348 0.7012 0.6735 0.1973 0.0288 0.0688 205 THR A O 1562 C CB . THR A 210 ? 0.6549 0.8237 0.7429 0.1895 0.0177 0.0872 205 THR A CB 1563 O OG1 . THR A 210 ? 0.6633 0.8809 0.7731 0.1894 0.0130 0.0996 205 THR A OG1 1564 C CG2 . THR A 210 ? 0.6083 0.7762 0.6928 0.1795 0.0197 0.0797 205 THR A CG2 1565 N N . LYS A 211 ? 0.5684 0.6510 0.6118 0.2156 0.0477 0.0758 206 LYS A N 1566 C CA . LYS A 211 ? 0.4906 0.5323 0.5087 0.2086 0.0510 0.0626 206 LYS A CA 1567 C C . LYS A 211 ? 0.6086 0.6640 0.6295 0.2047 0.0545 0.0604 206 LYS A C 1568 O O . LYS A 211 ? 0.6533 0.7270 0.6832 0.2183 0.0657 0.0687 206 LYS A O 1569 C CB . LYS A 211 ? 0.6205 0.6194 0.6145 0.2229 0.0657 0.0612 206 LYS A CB 1570 C CG . LYS A 211 ? 0.7862 0.7421 0.7506 0.2100 0.0657 0.0464 206 LYS A CG 1571 C CD . LYS A 211 ? 0.8816 0.7896 0.8173 0.2185 0.0789 0.0433 206 LYS A CD 1572 C CE . LYS A 211 ? 0.8772 0.7627 0.7939 0.2300 0.0973 0.0419 206 LYS A CE 1573 N NZ . LYS A 211 ? 1.0190 0.9070 0.9290 0.2153 0.0921 0.0326 206 LYS A NZ 1574 N N . VAL A 212 ? 0.6485 0.6963 0.6619 0.1873 0.0458 0.0506 207 VAL A N 1575 C CA . VAL A 212 ? 0.5597 0.6178 0.5735 0.1811 0.0480 0.0481 207 VAL A CA 1576 C C . VAL A 212 ? 0.7217 0.7440 0.7094 0.1731 0.0479 0.0366 207 VAL A C 1577 O O . VAL A 212 ? 0.7989 0.8038 0.7768 0.1633 0.0387 0.0305 207 VAL A O 1578 C CB . VAL A 212 ? 0.5102 0.6002 0.5416 0.1663 0.0372 0.0496 207 VAL A CB 1579 C CG1 . VAL A 212 ? 0.4899 0.5890 0.5205 0.1607 0.0418 0.0479 207 VAL A CG1 1580 C CG2 . VAL A 212 ? 0.4422 0.5696 0.4972 0.1697 0.0343 0.0603 207 VAL A CG2 1581 N N . ASP A 213 ? 0.7004 0.7147 0.6771 0.1767 0.0579 0.0344 208 ASP A N 1582 C CA . ASP A 213 ? 0.6445 0.6302 0.5957 0.1678 0.0575 0.0246 208 ASP A CA 1583 C C . ASP A 213 ? 0.7170 0.7203 0.6730 0.1622 0.0583 0.0250 208 ASP A C 1584 O O . ASP A 213 ? 0.8487 0.8539 0.8019 0.1702 0.0704 0.0270 208 ASP A O 1585 C CB . ASP A 213 ? 0.6705 0.6199 0.5950 0.1769 0.0710 0.0202 208 ASP A CB 1586 C CG . ASP A 213 ? 1.0335 0.9570 0.9463 0.1783 0.0702 0.0178 208 ASP A CG 1587 O OD1 . ASP A 213 ? 1.1384 1.0691 1.0600 0.1690 0.0568 0.0172 208 ASP A OD1 1588 O OD2 . ASP A 213 ? 1.2222 1.1157 1.1153 0.1886 0.0842 0.0165 208 ASP A OD2 1589 N N . LYS A 214 ? 0.7062 0.7205 0.6684 0.1490 0.0469 0.0238 209 LYS A N 1590 C CA . LYS A 214 ? 0.6614 0.6909 0.6279 0.1424 0.0479 0.0251 209 LYS A CA 1591 C C . LYS A 214 ? 0.7639 0.7713 0.7069 0.1361 0.0469 0.0189 209 LYS A C 1592 O O . LYS A 214 ? 0.5953 0.5904 0.5287 0.1290 0.0375 0.0154 209 LYS A O 1593 C CB . LYS A 214 ? 0.6565 0.7073 0.6400 0.1322 0.0387 0.0282 209 LYS A CB 1594 C CG . LYS A 214 ? 0.6933 0.7634 0.6843 0.1255 0.0430 0.0312 209 LYS A CG 1595 C CD . LYS A 214 ? 0.7786 0.8778 0.7880 0.1322 0.0511 0.0381 209 LYS A CD 1596 C CE . LYS A 214 ? 0.8584 0.9791 0.8752 0.1221 0.0553 0.0410 209 LYS A CE 1597 N N . LYS A 215 ? 0.7863 0.7918 0.7207 0.1388 0.0567 0.0186 210 LYS A N 1598 C CA . LYS A 215 ? 0.5705 0.5583 0.4817 0.1333 0.0568 0.0141 210 LYS A CA 1599 C C . LYS A 215 ? 0.7088 0.7090 0.6257 0.1245 0.0523 0.0171 210 LYS A C 1600 O O . LYS A 215 ? 0.7068 0.7251 0.6373 0.1237 0.0578 0.0212 210 LYS A O 1601 C CB . LYS A 215 ? 0.5790 0.5564 0.4759 0.1408 0.0711 0.0126 210 LYS A CB 1602 C CG . LYS A 215 ? 0.6962 0.6570 0.5673 0.1351 0.0723 0.0085 210 LYS A CG 1603 C CD . LYS A 215 ? 0.9491 0.9080 0.8131 0.1423 0.0882 0.0093 210 LYS A CD 1604 C CE . LYS A 215 ? 1.1399 1.0678 0.9687 0.1418 0.0940 0.0021 210 LYS A CE 1605 N NZ . LYS A 215 ? 1.1806 1.1008 0.9909 0.1298 0.0826 -0.0005 210 LYS A NZ 1606 N N . VAL A 216 ? 0.7322 0.7231 0.6383 0.1179 0.0431 0.0158 211 VAL A N 1607 C CA . VAL A 216 ? 0.6136 0.6101 0.5212 0.1116 0.0404 0.0196 211 VAL A CA 1608 C C . VAL A 216 ? 0.7612 0.7472 0.6480 0.1111 0.0452 0.0195 211 VAL A C 1609 O O . VAL A 216 ? 0.8556 0.8289 0.7234 0.1109 0.0418 0.0165 211 VAL A O 1610 C CB . VAL A 216 ? 0.6520 0.6470 0.5617 0.1077 0.0291 0.0210 211 VAL A CB 1611 C CG1 . VAL A 216 ? 0.5719 0.5678 0.4802 0.1038 0.0294 0.0261 211 VAL A CG1 1612 C CG2 . VAL A 216 ? 0.5464 0.5503 0.4746 0.1082 0.0248 0.0209 211 VAL A CG2 1613 N N . GLU A 217 ? 0.7863 0.7779 0.6749 0.1094 0.0532 0.0226 212 GLU A N 1614 C CA . GLU A 217 ? 0.9104 0.8922 0.7792 0.1098 0.0598 0.0228 212 GLU A CA 1615 C C . GLU A 217 ? 0.9260 0.9051 0.7887 0.1055 0.0603 0.0283 212 GLU A C 1616 O O . GLU A 217 ? 0.8651 0.8499 0.7402 0.1013 0.0603 0.0313 212 GLU A O 1617 C CB . GLU A 217 ? 0.9520 0.9397 0.8242 0.1132 0.0729 0.0221 212 GLU A CB 1618 C CG . GLU A 217 ? 1.0551 1.0365 0.9229 0.1208 0.0768 0.0175 212 GLU A CG 1619 C CD . GLU A 217 ? 1.2986 1.2761 1.1557 0.1256 0.0911 0.0169 212 GLU A CD 1620 O OE1 . GLU A 217 ? 1.3689 1.3651 1.2436 0.1282 0.1003 0.0207 212 GLU A OE1 1621 O OE2 . GLU A 217 ? 1.4032 1.3608 1.2338 0.1259 0.0932 0.0130 212 GLU A OE2 1622 N N . PRO A 218 ? 1.0639 1.0322 0.9050 0.1065 0.0616 0.0301 213 PRO A N 1623 C CA . PRO A 218 ? 1.1260 1.0887 0.9585 0.1050 0.0638 0.0372 213 PRO A CA 1624 C C . PRO A 218 ? 1.1520 1.1157 0.9899 0.1005 0.0760 0.0389 213 PRO A C 1625 O O . PRO A 218 ? 1.0787 1.0481 0.9195 0.0997 0.0843 0.0360 213 PRO A O 1626 C CB . PRO A 218 ? 1.0248 0.9789 0.8322 0.1077 0.0630 0.0390 213 PRO A CB 1627 C CG . PRO A 218 ? 0.9206 0.8749 0.7230 0.1080 0.0557 0.0322 213 PRO A CG 1628 C CD . PRO A 218 ? 0.9985 0.9577 0.8191 0.1086 0.0602 0.0262 213 PRO A CD 1629 N N . LYS A 219 ? 1.3027 1.2601 1.1404 0.0970 0.0781 0.0440 214 LYS A N 1630 C CA . LYS A 219 ? 1.4138 1.3675 1.2512 0.0890 0.0902 0.0458 214 LYS A CA 1631 C C . LYS A 219 ? 1.4023 1.3753 1.2600 0.0817 0.0940 0.0412 214 LYS A C 1632 O O . LYS A 219 ? 1.3377 1.3157 1.2055 0.0720 0.0961 0.0411 214 LYS A O 1633 C CB . LYS A 219 ? 1.4192 1.3607 1.2355 0.0905 0.1000 0.0494 214 LYS A CB 1634 C CG . LYS A 219 ? 1.3572 1.2849 1.1532 0.0990 0.0960 0.0563 214 LYS A CG 1635 C CD . LYS A 219 ? 1.3445 1.2586 1.1181 0.1002 0.1070 0.0615 214 LYS A CD 1636 C CE . LYS A 219 ? 1.3124 1.2095 1.0792 0.0940 0.1199 0.0662 214 LYS A CE 1637 N NZ . LYS A 219 ? 1.2627 1.1436 1.0055 0.0958 0.1315 0.0723 214 LYS A NZ 1638 N N . ASP B 1 ? 1.5431 1.4406 1.0022 0.0100 0.0244 0.0361 1 ASP B N 1639 C CA . ASP B 1 ? 1.6171 1.5175 1.1125 0.0107 0.0106 0.0320 1 ASP B CA 1640 C C . ASP B 1 ? 1.5320 1.4115 1.0310 0.0092 0.0200 0.0085 1 ASP B C 1641 O O . ASP B 1 ? 1.4985 1.3674 0.9659 -0.0018 0.0181 -0.0092 1 ASP B O 1642 C CB . ASP B 1 ? 1.5826 1.5021 1.0686 0.0013 -0.0144 0.0373 1 ASP B CB 1643 C CG . ASP B 1 ? 1.4375 1.3784 0.9359 0.0072 -0.0250 0.0643 1 ASP B CG 1644 O OD1 . ASP B 1 ? 1.4044 1.3553 0.9403 0.0132 -0.0359 0.0747 1 ASP B OD1 1645 O OD2 . ASP B 1 ? 1.2717 1.2179 0.7420 0.0065 -0.0208 0.0757 1 ASP B OD2 1646 N N . ILE B 2 ? 1.3253 1.1992 0.8640 0.0197 0.0296 0.0094 2 ILE B N 1647 C CA . ILE B 2 ? 1.1042 0.9585 0.6516 0.0227 0.0434 -0.0081 2 ILE B CA 1648 C C . ILE B 2 ? 1.0698 0.9267 0.6520 0.0229 0.0301 -0.0111 2 ILE B C 1649 O O . ILE B 2 ? 1.1065 0.9802 0.7064 0.0217 0.0125 0.0004 2 ILE B O 1650 C CB . ILE B 2 ? 1.2012 1.0514 0.7665 0.0347 0.0658 -0.0027 2 ILE B CB 1651 C CG1 . ILE B 2 ? 1.1522 1.0067 0.6891 0.0349 0.0764 0.0069 2 ILE B CG1 1652 C CG2 . ILE B 2 ? 1.3903 1.2194 0.9537 0.0391 0.0845 -0.0198 2 ILE B CG2 1653 C CD1 . ILE B 2 ? 1.1905 1.0631 0.7500 0.0393 0.0719 0.0303 2 ILE B CD1 1654 N N . VAL B 3 ? 0.9651 0.8052 0.5570 0.0251 0.0395 -0.0256 3 VAL B N 1655 C CA . VAL B 3 ? 0.9297 0.7708 0.5548 0.0260 0.0299 -0.0282 3 VAL B CA 1656 C C . VAL B 3 ? 0.8326 0.6733 0.4948 0.0385 0.0424 -0.0226 3 VAL B C 1657 O O . VAL B 3 ? 0.9084 0.7367 0.5674 0.0449 0.0617 -0.0283 3 VAL B O 1658 C CB . VAL B 3 ? 0.9678 0.7902 0.5752 0.0172 0.0289 -0.0480 3 VAL B CB 1659 C CG1 . VAL B 3 ? 0.6766 0.4995 0.3205 0.0199 0.0224 -0.0493 3 VAL B CG1 1660 C CG2 . VAL B 3 ? 0.9248 0.7532 0.4985 0.0016 0.0126 -0.0526 3 VAL B CG2 1661 N N . MET B 4 ? 0.7300 0.5852 0.4270 0.0417 0.0320 -0.0111 4 MET B N 1662 C CA . MET B 4 ? 0.7183 0.5770 0.4514 0.0504 0.0398 -0.0054 4 MET B CA 1663 C C . MET B 4 ? 0.7948 0.6473 0.5465 0.0505 0.0353 -0.0141 4 MET B C 1664 O O . MET B 4 ? 0.7817 0.6384 0.5386 0.0450 0.0197 -0.0153 4 MET B O 1665 C CB . MET B 4 ? 0.8063 0.6809 0.5630 0.0521 0.0322 0.0110 4 MET B CB 1666 C CG . MET B 4 ? 0.9254 0.8058 0.6655 0.0517 0.0355 0.0222 4 MET B CG 1667 S SD . MET B 4 ? 1.0562 0.9312 0.7833 0.0568 0.0596 0.0207 4 MET B SD 1668 C CE . MET B 4 ? 0.9109 0.7971 0.6827 0.0627 0.0668 0.0307 4 MET B CE 1669 N N . THR B 5 ? 0.8514 0.6956 0.6148 0.0574 0.0495 -0.0184 5 THR B N 1670 C CA . THR B 5 ? 0.8391 0.6761 0.6198 0.0587 0.0477 -0.0251 5 THR B CA 1671 C C . THR B 5 ? 0.7960 0.6475 0.6147 0.0656 0.0488 -0.0140 5 THR B C 1672 O O . THR B 5 ? 0.8332 0.6910 0.6630 0.0727 0.0619 -0.0071 5 THR B O 1673 C CB . THR B 5 ? 0.9750 0.7888 0.7380 0.0616 0.0638 -0.0381 5 THR B CB 1674 O OG1 . THR B 5 ? 1.1918 0.9918 0.9144 0.0525 0.0630 -0.0494 5 THR B OG1 1675 C CG2 . THR B 5 ? 0.8648 0.6685 0.6433 0.0621 0.0615 -0.0443 5 THR B CG2 1676 N N . GLN B 6 ? 0.7168 0.5752 0.5549 0.0626 0.0352 -0.0119 6 GLN B N 1677 C CA . GLN B 6 ? 0.7850 0.6571 0.6556 0.0663 0.0341 -0.0027 6 GLN B CA 1678 C C . GLN B 6 ? 0.7970 0.6635 0.6820 0.0698 0.0364 -0.0069 6 GLN B C 1679 O O . GLN B 6 ? 0.7472 0.6034 0.6254 0.0657 0.0294 -0.0152 6 GLN B O 1680 C CB . GLN B 6 ? 0.7239 0.6066 0.6054 0.0609 0.0192 0.0034 6 GLN B CB 1681 C CG . GLN B 6 ? 0.7941 0.6868 0.6799 0.0604 0.0210 0.0141 6 GLN B CG 1682 C CD . GLN B 6 ? 0.7201 0.6174 0.6148 0.0560 0.0089 0.0192 6 GLN B CD 1683 O OE1 . GLN B 6 ? 0.7046 0.5999 0.5859 0.0539 0.0021 0.0207 6 GLN B OE1 1684 N NE2 . GLN B 6 ? 0.6142 0.5180 0.5314 0.0549 0.0063 0.0223 6 GLN B NE2 1685 N N . SER B 7 ? 0.9162 0.7917 0.8225 0.0772 0.0457 0.0005 7 SER B N 1686 C CA . SER B 7 ? 0.9336 0.8073 0.8571 0.0821 0.0480 0.0006 7 SER B CA 1687 C C . SER B 7 ? 0.9084 0.8059 0.8623 0.0832 0.0444 0.0133 7 SER B C 1688 O O . SER B 7 ? 0.9403 0.8533 0.9038 0.0844 0.0491 0.0222 7 SER B O 1689 C CB . SER B 7 ? 0.8786 0.7376 0.7957 0.0920 0.0665 -0.0029 7 SER B CB 1690 O OG . SER B 7 ? 0.9890 0.8638 0.9212 0.1003 0.0788 0.0079 7 SER B OG 1691 N N . PRO B 8 ? 0.8344 0.7353 0.8022 0.0815 0.0358 0.0144 8 PRO B N 1692 C CA . PRO B 8 ? 0.6989 0.5828 0.6566 0.0786 0.0300 0.0047 8 PRO B CA 1693 C C . PRO B 8 ? 0.7588 0.6431 0.7080 0.0688 0.0154 0.0006 8 PRO B C 1694 O O . PRO B 8 ? 0.8557 0.7512 0.8080 0.0654 0.0107 0.0057 8 PRO B O 1695 C CB . PRO B 8 ? 0.6622 0.5539 0.6418 0.0824 0.0292 0.0113 8 PRO B CB 1696 C CG . PRO B 8 ? 0.6176 0.5351 0.6168 0.0806 0.0250 0.0229 8 PRO B CG 1697 C CD . PRO B 8 ? 0.7202 0.6433 0.7149 0.0819 0.0324 0.0257 8 PRO B CD 1698 N N . ASP B 9 ? 0.6791 0.5512 0.6184 0.0645 0.0094 -0.0078 9 ASP B N 1699 C CA . ASP B 9 ? 0.6941 0.5699 0.6286 0.0569 -0.0035 -0.0099 9 ASP B CA 1700 C C . ASP B 9 ? 0.7854 0.6734 0.7388 0.0550 -0.0112 -0.0041 9 ASP B C 1701 O O . ASP B 9 ? 0.8068 0.6997 0.7600 0.0510 -0.0194 -0.0031 9 ASP B O 1702 C CB . ASP B 9 ? 0.9124 0.7752 0.8322 0.0514 -0.0077 -0.0198 9 ASP B CB 1703 C CG . ASP B 9 ? 1.2565 1.1047 1.1515 0.0504 -0.0005 -0.0277 9 ASP B CG 1704 O OD1 . ASP B 9 ? 1.4264 1.2780 1.3121 0.0524 0.0034 -0.0250 9 ASP B OD1 1705 O OD2 . ASP B 9 ? 1.2896 1.1215 1.1726 0.0466 0.0019 -0.0370 9 ASP B OD2 1706 N N . SER B 10 ? 0.7226 0.6158 0.6914 0.0583 -0.0079 0.0004 10 SER B N 1707 C CA . SER B 10 ? 0.6178 0.5218 0.6011 0.0554 -0.0146 0.0049 10 SER B CA 1708 C C . SER B 10 ? 0.6074 0.5239 0.6065 0.0593 -0.0095 0.0137 10 SER B C 1709 O O . SER B 10 ? 0.7015 0.6147 0.7036 0.0665 -0.0008 0.0157 10 SER B O 1710 C CB . SER B 10 ? 0.6366 0.5344 0.6202 0.0529 -0.0195 0.0004 10 SER B CB 1711 O OG . SER B 10 ? 0.8335 0.7409 0.8269 0.0492 -0.0257 0.0037 10 SER B OG 1712 N N . LEU B 11 ? 0.6007 0.5317 0.6096 0.0545 -0.0145 0.0193 11 LEU B N 1713 C CA . LEU B 11 ? 0.6093 0.5586 0.6340 0.0559 -0.0117 0.0294 11 LEU B CA 1714 C C . LEU B 11 ? 0.5950 0.5564 0.6267 0.0477 -0.0204 0.0324 11 LEU B C 1715 O O . LEU B 11 ? 0.5549 0.5138 0.5804 0.0397 -0.0254 0.0288 11 LEU B O 1716 C CB . LEU B 11 ? 0.5051 0.4620 0.5310 0.0556 -0.0067 0.0335 11 LEU B CB 1717 C CG . LEU B 11 ? 0.6684 0.6499 0.7132 0.0550 -0.0045 0.0454 11 LEU B CG 1718 C CD1 . LEU B 11 ? 0.5795 0.5674 0.6368 0.0662 0.0026 0.0523 11 LEU B CD1 1719 C CD2 . LEU B 11 ? 0.6782 0.6655 0.7230 0.0537 0.0013 0.0488 11 LEU B CD2 1720 N N . ALA B 12 ? 0.5665 0.5392 0.6095 0.0496 -0.0214 0.0392 12 ALA B N 1721 C CA . ALA B 12 ? 0.4174 0.4029 0.4642 0.0409 -0.0296 0.0423 12 ALA B CA 1722 C C . ALA B 12 ? 0.4339 0.4464 0.4963 0.0385 -0.0303 0.0547 12 ALA B C 1723 O O . ALA B 12 ? 0.4336 0.4576 0.5097 0.0479 -0.0251 0.0646 12 ALA B O 1724 C CB . ALA B 12 ? 0.3926 0.3735 0.4390 0.0433 -0.0317 0.0422 12 ALA B CB 1725 N N . VAL B 13 ? 0.4246 0.4472 0.4854 0.0257 -0.0361 0.0546 13 VAL B N 1726 C CA . VAL B 13 ? 0.5185 0.5696 0.5939 0.0193 -0.0383 0.0658 13 VAL B CA 1727 C C . VAL B 13 ? 0.5150 0.5790 0.5868 0.0043 -0.0487 0.0665 13 VAL B C 1728 O O . VAL B 13 ? 0.4081 0.4546 0.4631 -0.0049 -0.0520 0.0554 13 VAL B O 1729 C CB . VAL B 13 ? 0.6279 0.6782 0.7026 0.0143 -0.0345 0.0645 13 VAL B CB 1730 C CG1 . VAL B 13 ? 0.6155 0.6990 0.7083 0.0067 -0.0366 0.0773 13 VAL B CG1 1731 C CG2 . VAL B 13 ? 0.7487 0.7834 0.8207 0.0279 -0.0242 0.0619 13 VAL B CG2 1732 N N . SER B 14 ? 0.3810 0.4761 0.4682 0.0022 -0.0533 0.0802 14 SER B N 1733 C CA . SER B 14 ? 0.3490 0.4605 0.4309 -0.0148 -0.0641 0.0816 14 SER B CA 1734 C C . SER B 14 ? 0.4317 0.5443 0.5068 -0.0330 -0.0670 0.0760 14 SER B C 1735 O O . SER B 14 ? 0.4212 0.5383 0.5058 -0.0320 -0.0621 0.0791 14 SER B O 1736 C CB . SER B 14 ? 0.3429 0.4931 0.4447 -0.0132 -0.0693 0.1005 14 SER B CB 1737 O OG . SER B 14 ? 0.6026 0.7481 0.7099 0.0034 -0.0654 0.1064 14 SER B OG 1738 N N . LEU B 15 ? 0.4252 0.5311 0.4822 -0.0500 -0.0739 0.0673 15 LEU B N 1739 C CA . LEU B 15 ? 0.3414 0.4441 0.3887 -0.0701 -0.0763 0.0608 15 LEU B CA 1740 C C . LEU B 15 ? 0.3505 0.4915 0.4183 -0.0793 -0.0807 0.0751 15 LEU B C 1741 O O . LEU B 15 ? 0.3930 0.5697 0.4761 -0.0794 -0.0876 0.0894 15 LEU B O 1742 C CB . LEU B 15 ? 0.4025 0.4953 0.4263 -0.0877 -0.0826 0.0504 15 LEU B CB 1743 C CG . LEU B 15 ? 0.5801 0.6315 0.5815 -0.0837 -0.0762 0.0339 15 LEU B CG 1744 C CD1 . LEU B 15 ? 0.5759 0.6181 0.5528 -0.1031 -0.0804 0.0235 15 LEU B CD1 1745 C CD2 . LEU B 15 ? 0.5349 0.5593 0.5337 -0.0798 -0.0674 0.0269 15 LEU B CD2 1746 N N . GLY B 16 ? 0.4224 0.5579 0.4921 -0.0868 -0.0765 0.0730 16 GLY B N 1747 C CA . GLY B 16 ? 0.3976 0.5703 0.4886 -0.0964 -0.0796 0.0867 16 GLY B CA 1748 C C . GLY B 16 ? 0.3920 0.5859 0.5102 -0.0757 -0.0721 0.1017 16 GLY B C 1749 O O . GLY B 16 ? 0.4389 0.6650 0.5782 -0.0813 -0.0722 0.1145 16 GLY B O 1750 N N . GLU B 17 ? 0.4020 0.5784 0.5203 -0.0526 -0.0645 0.1003 17 GLU B N 1751 C CA . GLU B 17 ? 0.4191 0.6118 0.5604 -0.0327 -0.0553 0.1133 17 GLU B CA 1752 C C . GLU B 17 ? 0.4523 0.6192 0.5878 -0.0243 -0.0431 0.1062 17 GLU B C 1753 O O . GLU B 17 ? 0.4566 0.5921 0.5711 -0.0310 -0.0423 0.0924 17 GLU B O 1754 C CB . GLU B 17 ? 0.3266 0.5166 0.4717 -0.0136 -0.0532 0.1174 17 GLU B CB 1755 C CG . GLU B 17 ? 0.6249 0.8376 0.7718 -0.0219 -0.0656 0.1246 17 GLU B CG 1756 C CD . GLU B 17 ? 0.8856 1.1421 1.0626 -0.0124 -0.0666 0.1479 17 GLU B CD 1757 O OE1 . GLU B 17 ? 0.9171 1.1695 1.1010 0.0068 -0.0612 0.1547 17 GLU B OE1 1758 O OE2 . GLU B 17 ? 0.9734 1.2688 1.1679 -0.0244 -0.0725 0.1605 17 GLU B OE2 1759 N N . ARG B 18 ? 0.4882 0.6695 0.6424 -0.0089 -0.0327 0.1171 18 ARG B N 1760 C CA . ARG B 18 ? 0.3260 0.4894 0.4756 -0.0012 -0.0205 0.1132 18 ARG B CA 1761 C C . ARG B 18 ? 0.4959 0.6225 0.6273 0.0153 -0.0135 0.1016 18 ARG B C 1762 O O . ARG B 18 ? 0.5378 0.6622 0.6724 0.0283 -0.0118 0.1032 18 ARG B O 1763 C CB . ARG B 18 ? 0.4685 0.6644 0.6453 0.0081 -0.0107 0.1299 18 ARG B CB 1764 C CG . ARG B 18 ? 0.7704 0.9548 0.9436 0.0129 0.0023 0.1283 18 ARG B CG 1765 C CD . ARG B 18 ? 0.9396 1.1662 1.1431 0.0128 0.0086 0.1467 18 ARG B CD 1766 N NE . ARG B 18 ? 1.0961 1.3184 1.3045 0.0328 0.0270 0.1507 18 ARG B NE 1767 C CZ . ARG B 18 ? 1.1915 1.4175 1.4109 0.0542 0.0370 0.1569 18 ARG B CZ 1768 N NH1 . ARG B 18 ? 1.1346 1.3701 1.3629 0.0588 0.0294 0.1616 18 ARG B NH1 1769 N NH2 . ARG B 18 ? 1.2711 1.4890 1.4907 0.0710 0.0556 0.1584 18 ARG B NH2 1770 N N . ALA B 19 ? 0.4940 0.5923 0.6062 0.0135 -0.0097 0.0906 19 ALA B N 1771 C CA . ALA B 19 ? 0.4453 0.5119 0.5393 0.0264 -0.0040 0.0799 19 ALA B CA 1772 C C . ALA B 19 ? 0.5133 0.5736 0.6037 0.0339 0.0083 0.0810 19 ALA B C 1773 O O . ALA B 19 ? 0.6776 0.7424 0.7682 0.0247 0.0099 0.0837 19 ALA B O 1774 C CB . ALA B 19 ? 0.3677 0.4070 0.4402 0.0185 -0.0114 0.0668 19 ALA B CB 1775 N N . THR B 20 ? 0.4609 0.5092 0.5462 0.0495 0.0178 0.0785 20 THR B N 1776 C CA A THR B 20 ? 0.5372 0.5776 0.6148 0.0575 0.0309 0.0783 20 THR B CA 1777 C CA B THR B 20 ? 0.5493 0.5897 0.6268 0.0574 0.0309 0.0782 20 THR B CA 1778 C C . THR B 20 ? 0.5980 0.6062 0.6496 0.0640 0.0327 0.0649 20 THR B C 1779 O O . THR B 20 ? 0.6078 0.6051 0.6562 0.0706 0.0318 0.0598 20 THR B O 1780 C CB A THR B 20 ? 0.6042 0.6648 0.7017 0.0704 0.0442 0.0896 20 THR B CB 1781 C CB B THR B 20 ? 0.6040 0.6644 0.7012 0.0703 0.0443 0.0896 20 THR B CB 1782 O OG1 A THR B 20 ? 0.6336 0.7284 0.7551 0.0627 0.0436 0.1036 20 THR B OG1 1783 O OG1 B THR B 20 ? 0.6065 0.6755 0.7179 0.0774 0.0420 0.0940 20 THR B OG1 1784 C CG2 A THR B 20 ? 0.6312 0.6747 0.7134 0.0816 0.0601 0.0854 20 THR B CG2 1785 C CG2 B THR B 20 ? 0.6317 0.7248 0.7507 0.0630 0.0466 0.1034 20 THR B CG2 1786 N N . ILE B 21 ? 0.5860 0.5801 0.6192 0.0610 0.0347 0.0603 21 ILE B N 1787 C CA . ILE B 21 ? 0.5719 0.5400 0.5795 0.0650 0.0352 0.0491 21 ILE B CA 1788 C C . ILE B 21 ? 0.6493 0.6129 0.6448 0.0718 0.0493 0.0496 21 ILE B C 1789 O O . ILE B 21 ? 0.5600 0.5353 0.5602 0.0689 0.0548 0.0576 21 ILE B O 1790 C CB . ILE B 21 ? 0.5996 0.5556 0.5938 0.0559 0.0240 0.0442 21 ILE B CB 1791 C CG1 . ILE B 21 ? 0.4784 0.4380 0.4833 0.0493 0.0124 0.0430 21 ILE B CG1 1792 C CG2 . ILE B 21 ? 0.7790 0.7143 0.7488 0.0593 0.0228 0.0346 21 ILE B CG2 1793 C CD1 . ILE B 21 ? 0.5801 0.5263 0.5736 0.0426 0.0037 0.0385 21 ILE B CD1 1794 N N . ASN B 22 ? 0.7541 0.7000 0.7328 0.0798 0.0560 0.0410 22 ASN B N 1795 C CA . ASN B 22 ? 0.7730 0.7112 0.7355 0.0864 0.0712 0.0394 22 ASN B CA 1796 C C . ASN B 22 ? 0.6617 0.5786 0.5911 0.0823 0.0670 0.0288 22 ASN B C 1797 O O . ASN B 22 ? 0.6138 0.5189 0.5338 0.0783 0.0557 0.0206 22 ASN B O 1798 C CB . ASN B 22 ? 0.9065 0.8393 0.8734 0.0990 0.0859 0.0378 22 ASN B CB 1799 C CG . ASN B 22 ? 1.1219 1.0812 1.1241 0.1047 0.0903 0.0517 22 ASN B CG 1800 O OD1 . ASN B 22 ? 1.1535 1.1360 1.1720 0.1029 0.0939 0.0632 22 ASN B OD1 1801 N ND2 . ASN B 22 ? 1.1735 1.1312 1.1883 0.1107 0.0894 0.0520 22 ASN B ND2 1802 N N . CYS B 23 ? 0.5702 0.4851 0.4825 0.0828 0.0761 0.0303 23 CYS B N 1803 C CA . CYS B 23 ? 0.7829 0.6824 0.6626 0.0783 0.0718 0.0229 23 CYS B CA 1804 C C . CYS B 23 ? 0.8873 0.7803 0.7458 0.0835 0.0894 0.0212 23 CYS B C 1805 O O . CYS B 23 ? 0.9758 0.8824 0.8447 0.0864 0.1003 0.0314 23 CYS B O 1806 C CB . CYS B 23 ? 0.8640 0.7706 0.7445 0.0701 0.0596 0.0304 23 CYS B CB 1807 S SG . CYS B 23 ? 1.0566 0.9537 0.9015 0.0656 0.0552 0.0293 23 CYS B SG 1808 N N . LYS B 24 ? 0.8310 0.7033 0.6595 0.0838 0.0932 0.0080 24 LYS B N 1809 C CA . LYS B 24 ? 0.8086 0.6703 0.6099 0.0878 0.1109 0.0037 24 LYS B CA 1810 C C . LYS B 24 ? 0.8739 0.7216 0.6346 0.0788 0.1035 -0.0056 24 LYS B C 1811 O O . LYS B 24 ? 0.8662 0.7054 0.6175 0.0718 0.0890 -0.0142 24 LYS B O 1812 C CB . LYS B 24 ? 0.9070 0.7536 0.7081 0.0980 0.1291 -0.0044 24 LYS B CB 1813 C CG . LYS B 24 ? 1.0480 0.8769 0.8476 0.0962 0.1218 -0.0161 24 LYS B CG 1814 C CD . LYS B 24 ? 1.2183 1.0362 1.0299 0.1094 0.1414 -0.0181 24 LYS B CD 1815 C CE . LYS B 24 ? 1.1714 1.0178 1.0246 0.1194 0.1479 -0.0002 24 LYS B CE 1816 N NZ . LYS B 24 ? 1.0874 0.9286 0.9590 0.1346 0.1663 0.0023 24 LYS B NZ 1817 N N . SER B 25 ? 0.9226 0.7705 0.6596 0.0786 0.1133 -0.0029 25 SER B N 1818 C CA . SER B 25 ? 0.8961 0.7336 0.5909 0.0698 0.1075 -0.0102 25 SER B CA 1819 C C . SER B 25 ? 0.9081 0.7200 0.5695 0.0703 0.1221 -0.0280 25 SER B C 1820 O O . SER B 25 ? 1.0789 0.8821 0.7459 0.0805 0.1433 -0.0307 25 SER B O 1821 C CB . SER B 25 ? 0.9155 0.7648 0.5975 0.0686 0.1113 0.0022 25 SER B CB 1822 O OG . SER B 25 ? 1.1130 0.9595 0.7879 0.0763 0.1354 0.0030 25 SER B OG 1823 N N . SER B 26 ? 0.9648 0.7646 0.5913 0.0587 0.1110 -0.0398 26 SER B N 1824 C CA . SER B 26 ? 1.0832 0.8545 0.6710 0.0555 0.1245 -0.0590 26 SER B CA 1825 C C . SER B 26 ? 1.1650 0.9297 0.7180 0.0574 0.1436 -0.0603 26 SER B C 1826 O O . SER B 26 ? 1.2869 1.0247 0.8032 0.0549 0.1584 -0.0773 26 SER B O 1827 C CB . SER B 26 ? 0.9922 0.7550 0.5528 0.0393 0.1052 -0.0714 26 SER B CB 1828 O OG . SER B 26 ? 1.1974 0.9802 0.7436 0.0303 0.0876 -0.0620 26 SER B OG 1829 N N . GLN B 27 ? 1.2306 1.0171 0.7928 0.0611 0.1449 -0.0432 27 GLN B N 1830 C CA . GLN B 27 ? 1.4527 1.2356 0.9866 0.0646 0.1656 -0.0418 27 GLN B CA 1831 C C . GLN B 27 ? 1.5206 1.3161 1.0910 0.0798 0.1856 -0.0288 27 GLN B C 1832 O O . GLN B 27 ? 1.6363 1.4181 1.1991 0.0895 0.2112 -0.0352 27 GLN B O 1833 C CB . GLN B 27 ? 1.5635 1.3621 1.0735 0.0552 0.1526 -0.0310 27 GLN B CB 1834 C CG . GLN B 27 ? 1.7245 1.5122 1.1859 0.0397 0.1389 -0.0441 27 GLN B CG 1835 C CD . GLN B 27 ? 1.9233 1.6823 1.3357 0.0367 0.1597 -0.0642 27 GLN B CD 1836 O OE1 . GLN B 27 ? 2.0198 1.7704 1.4281 0.0474 0.1861 -0.0645 27 GLN B OE1 1837 N NE2 . GLN B 27 ? 1.9541 1.6974 1.3286 0.0216 0.1487 -0.0815 27 GLN B NE2 1838 N N . LYS B 36 ? 1.4099 1.3829 1.1693 0.0514 0.2043 0.1700 30 LYS B N 1839 C CA . LYS B 36 ? 1.4704 1.4516 1.2677 0.0519 0.1973 0.1621 30 LYS B CA 1840 C C . LYS B 36 ? 1.4613 1.4270 1.2485 0.0556 0.1792 0.1452 30 LYS B C 1841 O O . LYS B 36 ? 1.4897 1.4412 1.2403 0.0590 0.1755 0.1367 30 LYS B O 1842 C CB . LYS B 36 ? 1.4276 1.4174 1.2609 0.0402 0.1903 0.1745 30 LYS B CB 1843 C CG . LYS B 36 ? 1.4069 1.3794 1.2269 0.0323 0.1784 0.1839 30 LYS B CG 1844 C CD . LYS B 36 ? 1.3361 1.3136 1.1887 0.0190 0.1766 0.1958 30 LYS B CD 1845 C CE . LYS B 36 ? 1.2721 1.2289 1.1104 0.0126 0.1701 0.2076 30 LYS B CE 1846 N NZ . LYS B 36 ? 1.1903 1.1473 1.0564 -0.0024 0.1715 0.2188 30 LYS B NZ 1847 N N . ASN B 37 ? 1.2883 1.2583 1.1077 0.0534 0.1679 0.1406 31 ASN B N 1848 C CA . ASN B 37 ? 1.1948 1.1531 1.0107 0.0568 0.1525 0.1252 31 ASN B CA 1849 C C . ASN B 37 ? 1.1248 1.0726 0.9439 0.0496 0.1327 0.1281 31 ASN B C 1850 O O . ASN B 37 ? 0.8803 0.8332 0.7278 0.0425 0.1276 0.1344 31 ASN B O 1851 C CB . ASN B 37 ? 1.1385 1.1090 0.9865 0.0609 0.1546 0.1187 31 ASN B CB 1852 C CG . ASN B 37 ? 1.2133 1.1949 1.0630 0.0703 0.1767 0.1182 31 ASN B CG 1853 O OD1 . ASN B 37 ? 1.2678 1.2716 1.1510 0.0710 0.1858 0.1266 31 ASN B OD1 1854 N ND2 . ASN B 37 ? 1.2988 1.2658 1.1123 0.0774 0.1860 0.1087 31 ASN B ND2 1855 N N . TYR B 38 ? 1.1969 1.1305 0.9867 0.0512 0.1222 0.1238 32 TYR B N 1856 C CA . TYR B 38 ? 1.1440 1.0678 0.9370 0.0474 0.1046 0.1269 32 TYR B CA 1857 C C . TYR B 38 ? 1.1070 1.0269 0.9085 0.0498 0.0916 0.1120 32 TYR B C 1858 O O . TYR B 38 ? 1.2471 1.1602 1.0280 0.0523 0.0818 0.1043 32 TYR B O 1859 C CB . TYR B 38 ? 1.2185 1.1342 0.9789 0.0481 0.0997 0.1346 32 TYR B CB 1860 C CG . TYR B 38 ? 1.4081 1.3269 1.1528 0.0466 0.1137 0.1490 32 TYR B CG 1861 C CD1 . TYR B 38 ? 1.4430 1.3632 1.2076 0.0408 0.1206 0.1640 32 TYR B CD1 1862 C CD2 . TYR B 38 ? 1.4798 1.3991 1.1878 0.0496 0.1204 0.1476 32 TYR B CD2 1863 C CE1 . TYR B 38 ? 1.4745 1.3977 1.2250 0.0389 0.1342 0.1784 32 TYR B CE1 1864 C CE2 . TYR B 38 ? 1.5452 1.4678 1.2368 0.0483 0.1340 0.1614 32 TYR B CE2 1865 C CZ . TYR B 38 ? 1.5442 1.4692 1.2582 0.0434 0.1410 0.1775 32 TYR B CZ 1866 O OH . TYR B 38 ? 1.6071 1.5356 1.3050 0.0416 0.1554 0.1924 32 TYR B OH 1867 N N . LEU B 39 ? 0.8394 0.7660 0.6720 0.0480 0.0911 0.1086 33 LEU B N 1868 C CA . LEU B 39 ? 0.6600 0.5832 0.5046 0.0490 0.0785 0.0972 33 LEU B CA 1869 C C . LEU B 39 ? 0.6499 0.5702 0.5165 0.0422 0.0694 0.1025 33 LEU B C 1870 O O . LEU B 39 ? 0.6479 0.5741 0.5319 0.0355 0.0754 0.1112 33 LEU B O 1871 C CB . LEU B 39 ? 0.7682 0.7005 0.6282 0.0532 0.0851 0.0882 33 LEU B CB 1872 C CG . LEU B 39 ? 0.8156 0.7416 0.6799 0.0551 0.0725 0.0758 33 LEU B CG 1873 C CD1 . LEU B 39 ? 0.7768 0.6936 0.6156 0.0608 0.0744 0.0636 33 LEU B CD1 1874 C CD2 . LEU B 39 ? 0.8742 0.8115 0.7697 0.0545 0.0726 0.0746 33 LEU B CD2 1875 N N . ALA B 40 ? 0.5757 0.4865 0.4406 0.0430 0.0559 0.0972 34 ALA B N 1876 C CA . ALA B 40 ? 0.6988 0.6026 0.5811 0.0376 0.0484 0.0998 34 ALA B CA 1877 C C . ALA B 40 ? 0.5916 0.4958 0.4855 0.0389 0.0387 0.0876 34 ALA B C 1878 O O . ALA B 40 ? 0.5378 0.4425 0.4212 0.0445 0.0342 0.0788 34 ALA B O 1879 C CB . ALA B 40 ? 0.5211 0.4110 0.3907 0.0387 0.0434 0.1090 34 ALA B CB 1880 N N . TRP B 41 ? 0.5046 0.4080 0.4186 0.0323 0.0357 0.0868 35 TRP B N 1881 C CA . TRP B 41 ? 0.5121 0.4158 0.4369 0.0326 0.0269 0.0766 35 TRP B CA 1882 C C . TRP B 41 ? 0.5131 0.4018 0.4406 0.0295 0.0203 0.0773 35 TRP B C 1883 O O . TRP B 41 ? 0.5016 0.3811 0.4323 0.0229 0.0241 0.0844 35 TRP B O 1884 C CB . TRP B 41 ? 0.4909 0.4092 0.4364 0.0274 0.0294 0.0743 35 TRP B CB 1885 C CG . TRP B 41 ? 0.5512 0.4839 0.4982 0.0334 0.0370 0.0730 35 TRP B CG 1886 C CD1 . TRP B 41 ? 0.4841 0.4293 0.4356 0.0329 0.0485 0.0805 35 TRP B CD1 1887 C CD2 . TRP B 41 ? 0.5223 0.4570 0.4672 0.0412 0.0354 0.0639 35 TRP B CD2 1888 N NE1 . TRP B 41 ? 0.4822 0.4364 0.4345 0.0416 0.0553 0.0766 35 TRP B NE1 1889 C CE2 . TRP B 41 ? 0.5275 0.4736 0.4749 0.0465 0.0475 0.0662 35 TRP B CE2 1890 C CE3 . TRP B 41 ? 0.4950 0.4221 0.4364 0.0443 0.0263 0.0546 35 TRP B CE3 1891 C CZ2 . TRP B 41 ? 0.5235 0.4695 0.4686 0.0551 0.0514 0.0588 35 TRP B CZ2 1892 C CZ3 . TRP B 41 ? 0.6227 0.5511 0.5621 0.0510 0.0289 0.0475 35 TRP B CZ3 1893 C CH2 . TRP B 41 ? 0.4674 0.4034 0.4081 0.0566 0.0418 0.0493 35 TRP B CH2 1894 N N . TYR B 42 ? 0.5051 0.3902 0.4315 0.0342 0.0117 0.0699 36 TYR B N 1895 C CA . TYR B 42 ? 0.4397 0.3106 0.3682 0.0343 0.0069 0.0702 36 TYR B CA 1896 C C . TYR B 42 ? 0.4821 0.3548 0.4217 0.0325 0.0010 0.0599 36 TYR B C 1897 O O . TYR B 42 ? 0.4931 0.3771 0.4350 0.0349 -0.0023 0.0530 36 TYR B O 1898 C CB . TYR B 42 ? 0.4490 0.3158 0.3650 0.0433 0.0022 0.0745 36 TYR B CB 1899 C CG . TYR B 42 ? 0.5746 0.4402 0.4765 0.0460 0.0066 0.0862 36 TYR B CG 1900 C CD1 . TYR B 42 ? 0.5623 0.4391 0.4505 0.0478 0.0082 0.0857 36 TYR B CD1 1901 C CD2 . TYR B 42 ? 0.4876 0.3389 0.3878 0.0471 0.0101 0.0979 36 TYR B CD2 1902 C CE1 . TYR B 42 ? 0.6019 0.4784 0.4743 0.0498 0.0123 0.0966 36 TYR B CE1 1903 C CE2 . TYR B 42 ? 0.5733 0.4241 0.4597 0.0499 0.0141 0.1105 36 TYR B CE2 1904 C CZ . TYR B 42 ? 0.5549 0.4197 0.4269 0.0508 0.0146 0.1099 36 TYR B CZ 1905 O OH . TYR B 42 ? 0.6764 0.5414 0.5319 0.0530 0.0188 0.1227 36 TYR B OH 1906 N N . GLN B 43 ? 0.5012 0.3604 0.4457 0.0285 0.0007 0.0591 37 GLN B N 1907 C CA . GLN B 43 ? 0.4926 0.3511 0.4447 0.0263 -0.0039 0.0500 37 GLN B CA 1908 C C . GLN B 43 ? 0.5100 0.3565 0.4593 0.0341 -0.0064 0.0501 37 GLN B C 1909 O O . GLN B 43 ? 0.4626 0.2926 0.4085 0.0359 -0.0017 0.0566 37 GLN B O 1910 C CB . GLN B 43 ? 0.5007 0.3534 0.4590 0.0134 -0.0009 0.0476 37 GLN B CB 1911 C CG . GLN B 43 ? 0.5803 0.4314 0.5429 0.0097 -0.0051 0.0384 37 GLN B CG 1912 C CD . GLN B 43 ? 0.5915 0.4345 0.5553 -0.0057 -0.0025 0.0355 37 GLN B CD 1913 O OE1 . GLN B 43 ? 0.6350 0.4559 0.5927 -0.0103 0.0035 0.0373 37 GLN B OE1 1914 N NE2 . GLN B 43 ? 0.6554 0.5162 0.6267 -0.0143 -0.0067 0.0318 37 GLN B NE2 1915 N N . GLN B 44 ? 0.4892 0.3441 0.4412 0.0390 -0.0126 0.0441 38 GLN B N 1916 C CA . GLN B 44 ? 0.5485 0.3972 0.5016 0.0468 -0.0148 0.0452 38 GLN B CA 1917 C C . GLN B 44 ? 0.4557 0.3033 0.4158 0.0444 -0.0163 0.0361 38 GLN B C 1918 O O . GLN B 44 ? 0.5272 0.3874 0.4907 0.0420 -0.0209 0.0296 38 GLN B O 1919 C CB . GLN B 44 ? 0.4219 0.2843 0.3713 0.0549 -0.0214 0.0484 38 GLN B CB 1920 C CG . GLN B 44 ? 0.4073 0.2680 0.3611 0.0636 -0.0233 0.0536 38 GLN B CG 1921 C CD . GLN B 44 ? 0.5055 0.3830 0.4552 0.0693 -0.0313 0.0589 38 GLN B CD 1922 O OE1 . GLN B 44 ? 0.5623 0.4519 0.5071 0.0656 -0.0368 0.0527 38 GLN B OE1 1923 N NE2 . GLN B 44 ? 0.4289 0.3070 0.3800 0.0779 -0.0317 0.0711 38 GLN B NE2 1924 N N . LYS B 45 ? 0.6358 0.4665 0.5967 0.0455 -0.0112 0.0361 39 LYS B N 1925 C CA . LYS B 45 ? 0.6126 0.4389 0.5772 0.0443 -0.0104 0.0282 39 LYS B CA 1926 C C . LYS B 45 ? 0.7454 0.5734 0.7154 0.0567 -0.0108 0.0322 39 LYS B C 1927 O O . LYS B 45 ? 0.6690 0.4986 0.6396 0.0655 -0.0110 0.0424 39 LYS B O 1928 C CB . LYS B 45 ? 0.5151 0.3183 0.4743 0.0354 -0.0021 0.0241 39 LYS B CB 1929 C CG . LYS B 45 ? 0.6041 0.4126 0.5611 0.0209 -0.0037 0.0203 39 LYS B CG 1930 C CD . LYS B 45 ? 0.6392 0.4274 0.5890 0.0079 0.0026 0.0141 39 LYS B CD 1931 C CE . LYS B 45 ? 0.6683 0.4704 0.6192 -0.0076 -0.0015 0.0119 39 LYS B CE 1932 N NZ . LYS B 45 ? 0.8025 0.5875 0.7441 -0.0242 0.0025 0.0041 39 LYS B NZ 1933 N N . PRO B 46 ? 0.8354 0.6663 0.8102 0.0577 -0.0111 0.0260 40 PRO B N 1934 C CA . PRO B 46 ? 0.7370 0.5754 0.7207 0.0695 -0.0116 0.0312 40 PRO B CA 1935 C C . PRO B 46 ? 0.6610 0.4821 0.6461 0.0795 -0.0023 0.0402 40 PRO B C 1936 O O . PRO B 46 ? 0.7568 0.5521 0.7353 0.0765 0.0079 0.0374 40 PRO B O 1937 C CB . PRO B 46 ? 0.6618 0.5022 0.6489 0.0666 -0.0104 0.0221 40 PRO B CB 1938 C CG . PRO B 46 ? 0.7500 0.5957 0.7316 0.0544 -0.0153 0.0141 40 PRO B CG 1939 C CD . PRO B 46 ? 0.7653 0.5990 0.7391 0.0482 -0.0124 0.0156 40 PRO B CD 1940 N N . GLY B 47 ? 0.6414 0.4769 0.6352 0.0912 -0.0057 0.0519 41 GLY B N 1941 C CA . GLY B 47 ? 0.4967 0.3202 0.4957 0.1043 0.0029 0.0643 41 GLY B CA 1942 C C . GLY B 47 ? 0.6838 0.4886 0.6737 0.1043 0.0080 0.0721 41 GLY B C 1943 O O . GLY B 47 ? 0.7990 0.5864 0.7919 0.1151 0.0181 0.0824 41 GLY B O 1944 N N . GLN B 48 ? 0.5620 0.3696 0.5418 0.0933 0.0026 0.0687 42 GLN B N 1945 C CA . GLN B 48 ? 0.6469 0.4361 0.6178 0.0913 0.0086 0.0757 42 GLN B CA 1946 C C . GLN B 48 ? 0.6838 0.4928 0.6491 0.0900 -0.0005 0.0829 42 GLN B C 1947 O O . GLN B 48 ? 0.6084 0.4396 0.5729 0.0856 -0.0104 0.0768 42 GLN B O 1948 C CB . GLN B 48 ? 0.7674 0.5351 0.7297 0.0763 0.0150 0.0638 42 GLN B CB 1949 C CG . GLN B 48 ? 0.8782 0.6160 0.8389 0.0761 0.0277 0.0580 42 GLN B CG 1950 C CD . GLN B 48 ? 1.0650 0.7822 1.0147 0.0582 0.0328 0.0472 42 GLN B CD 1951 O OE1 . GLN B 48 ? 0.9637 0.6961 0.9111 0.0461 0.0254 0.0426 42 GLN B OE1 1952 N NE2 . GLN B 48 ? 1.2834 0.9661 1.2261 0.0560 0.0462 0.0434 42 GLN B NE2 1953 N N . PRO B 49 ? 0.6261 0.4257 0.5859 0.0939 0.0038 0.0960 43 PRO B N 1954 C CA . PRO B 49 ? 0.5684 0.3844 0.5189 0.0914 -0.0031 0.1021 43 PRO B CA 1955 C C . PRO B 49 ? 0.6003 0.4147 0.5437 0.0771 -0.0024 0.0909 43 PRO B C 1956 O O . PRO B 49 ? 0.6820 0.4799 0.6271 0.0686 0.0039 0.0823 43 PRO B O 1957 C CB . PRO B 49 ? 0.5127 0.3141 0.4595 0.0992 0.0042 0.1200 43 PRO B CB 1958 C CG . PRO B 49 ? 0.5921 0.3599 0.5424 0.0985 0.0177 0.1173 43 PRO B CG 1959 C CD . PRO B 49 ? 0.6751 0.4457 0.6353 0.1006 0.0167 0.1059 43 PRO B CD 1960 N N . PRO B 50 ? 0.6855 0.5178 0.6208 0.0739 -0.0084 0.0910 44 PRO B N 1961 C CA . PRO B 50 ? 0.6677 0.5003 0.5987 0.0626 -0.0057 0.0836 44 PRO B CA 1962 C C . PRO B 50 ? 0.6121 0.4244 0.5411 0.0570 0.0046 0.0897 44 PRO B C 1963 O O . PRO B 50 ? 0.6585 0.4581 0.5839 0.0630 0.0094 0.1026 44 PRO B O 1964 C CB . PRO B 50 ? 0.6949 0.5463 0.6147 0.0637 -0.0110 0.0859 44 PRO B CB 1965 C CG . PRO B 50 ? 0.5961 0.4607 0.5150 0.0719 -0.0201 0.0894 44 PRO B CG 1966 C CD . PRO B 50 ? 0.6366 0.4893 0.5648 0.0802 -0.0170 0.0988 44 PRO B CD 1967 N N . LYS B 51 ? 0.4752 0.2851 0.4073 0.0450 0.0079 0.0815 45 LYS B N 1968 C CA . LYS B 51 ? 0.5635 0.3560 0.4946 0.0353 0.0170 0.0854 45 LYS B CA 1969 C C . LYS B 51 ? 0.5654 0.3737 0.4952 0.0275 0.0184 0.0866 45 LYS B C 1970 O O . LYS B 51 ? 0.5451 0.3714 0.4804 0.0235 0.0143 0.0782 45 LYS B O 1971 C CB . LYS B 51 ? 0.5594 0.3359 0.4958 0.0251 0.0201 0.0752 45 LYS B CB 1972 C CG . LYS B 51 ? 0.7912 0.5546 0.7270 0.0092 0.0276 0.0757 45 LYS B CG 1973 C CD . LYS B 51 ? 0.9684 0.7259 0.9075 -0.0046 0.0269 0.0625 45 LYS B CD 1974 C CE . LYS B 51 ? 1.1351 0.8879 1.0748 -0.0243 0.0316 0.0623 45 LYS B CE 1975 N NZ . LYS B 51 ? 1.2454 1.0063 1.1886 -0.0397 0.0269 0.0502 45 LYS B NZ 1976 N N . LEU B 52 ? 0.5720 0.3741 0.4954 0.0265 0.0251 0.0984 46 LEU B N 1977 C CA . LEU B 52 ? 0.5501 0.3684 0.4725 0.0206 0.0284 0.1013 46 LEU B CA 1978 C C . LEU B 52 ? 0.6137 0.4361 0.5481 0.0053 0.0312 0.0951 46 LEU B C 1979 O O . LEU B 52 ? 0.5544 0.3583 0.4913 -0.0053 0.0358 0.0958 46 LEU B O 1980 C CB . LEU B 52 ? 0.6211 0.4309 0.5334 0.0222 0.0360 0.1165 46 LEU B CB 1981 C CG . LEU B 52 ? 0.6785 0.5034 0.5890 0.0163 0.0425 0.1217 46 LEU B CG 1982 C CD1 . LEU B 52 ? 0.5179 0.3667 0.4240 0.0228 0.0385 0.1156 46 LEU B CD1 1983 C CD2 . LEU B 52 ? 0.5812 0.3949 0.4795 0.0189 0.0498 0.1381 46 LEU B CD2 1984 N N . LEU B 53 ? 0.5436 0.3903 0.4850 0.0038 0.0285 0.0897 47 LEU B N 1985 C CA . LEU B 53 ? 0.6080 0.4680 0.5635 -0.0098 0.0300 0.0868 47 LEU B CA 1986 C C . LEU B 53 ? 0.5906 0.4663 0.5498 -0.0141 0.0380 0.0961 47 LEU B C 1987 O O . LEU B 53 ? 0.6023 0.4778 0.5693 -0.0283 0.0427 0.1008 47 LEU B O 1988 C CB . LEU B 53 ? 0.5626 0.4415 0.5273 -0.0075 0.0227 0.0770 47 LEU B CB 1989 C CG . LEU B 53 ? 0.6276 0.4963 0.5922 -0.0064 0.0151 0.0671 47 LEU B CG 1990 C CD1 . LEU B 53 ? 0.6773 0.5677 0.6523 -0.0057 0.0095 0.0606 47 LEU B CD1 1991 C CD2 . LEU B 53 ? 0.6176 0.4675 0.5824 -0.0199 0.0167 0.0649 47 LEU B CD2 1992 N N . ILE B 54 ? 0.5871 0.4764 0.5402 -0.0030 0.0404 0.0985 48 ILE B N 1993 C CA . ILE B 54 ? 0.5653 0.4726 0.5222 -0.0044 0.0498 0.1065 48 ILE B CA 1994 C C . ILE B 54 ? 0.6720 0.5730 0.6083 0.0058 0.0549 0.1130 48 ILE B C 1995 O O . ILE B 54 ? 0.6425 0.5390 0.5649 0.0166 0.0495 0.1079 48 ILE B O 1996 C CB . ILE B 54 ? 0.5792 0.5124 0.5490 -0.0003 0.0500 0.1015 48 ILE B CB 1997 C CG1 . ILE B 54 ? 0.5286 0.4720 0.5177 -0.0097 0.0429 0.0961 48 ILE B CG1 1998 C CG2 . ILE B 54 ? 0.4705 0.4227 0.4448 0.0005 0.0625 0.1106 48 ILE B CG2 1999 C CD1 . ILE B 54 ? 0.5868 0.5367 0.5899 -0.0277 0.0451 0.1025 48 ILE B CD1 2000 N N . TYR B 55 ? 0.6866 0.5893 0.6202 0.0014 0.0651 0.1246 49 TYR B N 2001 C CA . TYR B 55 ? 0.6819 0.5837 0.5946 0.0101 0.0715 0.1319 49 TYR B CA 2002 C C . TYR B 55 ? 0.6496 0.5711 0.5677 0.0076 0.0847 0.1386 49 TYR B C 2003 O O . TYR B 55 ? 0.7029 0.6388 0.6433 -0.0021 0.0886 0.1409 49 TYR B O 2004 C CB . TYR B 55 ? 0.5572 0.4369 0.4561 0.0096 0.0721 0.1430 49 TYR B CB 2005 C CG . TYR B 55 ? 0.6900 0.5600 0.5997 -0.0039 0.0793 0.1528 49 TYR B CG 2006 C CD1 . TYR B 55 ? 0.7917 0.6682 0.6988 -0.0088 0.0915 0.1654 49 TYR B CD1 2007 C CD2 . TYR B 55 ? 0.6880 0.5406 0.6084 -0.0131 0.0750 0.1491 49 TYR B CD2 2008 C CE1 . TYR B 55 ? 0.7145 0.5811 0.6314 -0.0233 0.0984 0.1746 49 TYR B CE1 2009 C CE2 . TYR B 55 ? 0.6179 0.4580 0.5457 -0.0280 0.0822 0.1567 49 TYR B CE2 2010 C CZ . TYR B 55 ? 0.7068 0.5542 0.6336 -0.0335 0.0935 0.1697 49 TYR B CZ 2011 O OH . TYR B 55 ? 0.8454 0.6799 0.7797 -0.0504 0.1009 0.1774 49 TYR B OH 2012 N N . TRP B 56 ? 0.6957 0.6196 0.5928 0.0162 0.0917 0.1422 50 TRP B N 2013 C CA . TRP B 56 ? 0.6456 0.5882 0.5444 0.0173 0.1066 0.1475 50 TRP B CA 2014 C C . TRP B 56 ? 0.6991 0.6625 0.6208 0.0190 0.1087 0.1397 50 TRP B C 2015 O O . TRP B 56 ? 0.7772 0.7610 0.7189 0.0144 0.1189 0.1468 50 TRP B O 2016 C CB . TRP B 56 ? 0.5898 0.5347 0.4962 0.0064 0.1168 0.1631 50 TRP B CB 2017 C CG . TRP B 56 ? 0.8338 0.7623 0.7138 0.0084 0.1203 0.1742 50 TRP B CG 2018 C CD1 . TRP B 56 ? 0.9280 0.8507 0.7775 0.0192 0.1195 0.1730 50 TRP B CD1 2019 C CD2 . TRP B 56 ? 0.9598 0.8755 0.8405 -0.0012 0.1247 0.1890 50 TRP B CD2 2020 N NE1 . TRP B 56 ? 1.0183 0.9286 0.8503 0.0180 0.1225 0.1878 50 TRP B NE1 2021 C CE2 . TRP B 56 ? 1.0621 0.9661 0.9132 0.0063 0.1266 0.1980 50 TRP B CE2 2022 C CE3 . TRP B 56 ? 1.1067 1.0188 1.0089 -0.0166 0.1275 0.1956 50 TRP B CE3 2023 C CZ2 . TRP B 56 ? 1.2113 1.0996 1.0553 0.0011 0.1318 0.2150 50 TRP B CZ2 2024 C CZ3 . TRP B 56 ? 1.1993 1.0927 1.0935 -0.0232 0.1335 0.2106 50 TRP B CZ3 2025 C CH2 . TRP B 56 ? 1.2464 1.1276 1.1124 -0.0133 0.1360 0.2209 50 TRP B CH2 2026 N N . ALA B 57 ? 0.7294 0.6887 0.6495 0.0258 0.0989 0.1266 51 ALA B N 2027 C CA . ALA B 57 ? 0.6843 0.6595 0.6226 0.0306 0.0999 0.1191 51 ALA B CA 2028 C C . ALA B 57 ? 0.6844 0.6751 0.6551 0.0201 0.0948 0.1220 51 ALA B C 2029 O O . ALA B 57 ? 0.6672 0.6647 0.6512 0.0225 0.0879 0.1148 51 ALA B O 2030 C CB . ALA B 57 ? 0.5583 0.5481 0.4947 0.0392 0.1174 0.1218 51 ALA B CB 2031 N N . SER B 58 ? 0.6478 0.6441 0.6300 0.0072 0.0978 0.1328 52 SER B N 2032 C CA . SER B 58 ? 0.5290 0.5453 0.5413 -0.0054 0.0941 0.1362 52 SER B CA 2033 C C . SER B 58 ? 0.6088 0.6138 0.6243 -0.0237 0.0900 0.1416 52 SER B C 2034 O O . SER B 58 ? 0.6171 0.6376 0.6546 -0.0379 0.0857 0.1436 52 SER B O 2035 C CB . SER B 58 ? 0.5356 0.5856 0.5702 -0.0036 0.1072 0.1460 52 SER B CB 2036 O OG . SER B 58 ? 0.7516 0.8035 0.7797 -0.0062 0.1207 0.1571 52 SER B OG 2037 N N . THR B 59 ? 0.6878 0.6663 0.6820 -0.0245 0.0915 0.1445 53 THR B N 2038 C CA . THR B 59 ? 0.6752 0.6372 0.6714 -0.0413 0.0898 0.1493 53 THR B CA 2039 C C . THR B 59 ? 0.6892 0.6266 0.6787 -0.0430 0.0772 0.1384 53 THR B C 2040 O O . THR B 59 ? 0.8434 0.7640 0.8156 -0.0298 0.0724 0.1327 53 THR B O 2041 C CB . THR B 59 ? 0.6946 0.6393 0.6731 -0.0410 0.0996 0.1608 53 THR B CB 2042 O OG1 . THR B 59 ? 0.7296 0.6988 0.7156 -0.0413 0.1129 0.1714 53 THR B OG1 2043 C CG2 . THR B 59 ? 0.5719 0.4925 0.5513 -0.0581 0.0990 0.1652 53 THR B CG2 2044 N N . ARG B 60 ? 0.6236 0.5609 0.6269 -0.0601 0.0721 0.1355 54 ARG B N 2045 C CA . ARG B 60 ? 0.6480 0.5641 0.6463 -0.0633 0.0617 0.1240 54 ARG B CA 2046 C C . ARG B 60 ? 0.6857 0.5632 0.6685 -0.0684 0.0648 0.1263 54 ARG B C 2047 O O . ARG B 60 ? 0.8007 0.6700 0.7852 -0.0824 0.0724 0.1348 54 ARG B O 2048 C CB . ARG B 60 ? 0.5053 0.4403 0.5227 -0.0805 0.0551 0.1193 54 ARG B CB 2049 C CG . ARG B 60 ? 0.9021 0.8233 0.9147 -0.0816 0.0443 0.1060 54 ARG B CG 2050 C CD . ARG B 60 ? 0.8868 0.8371 0.9181 -0.0949 0.0365 0.1027 54 ARG B CD 2051 N NE . ARG B 60 ? 0.9807 0.9472 1.0260 -0.1169 0.0396 0.1108 54 ARG B NE 2052 C CZ . ARG B 60 ? 1.0200 1.0279 1.0880 -0.1200 0.0413 0.1205 54 ARG B CZ 2053 N NH1 . ARG B 60 ? 0.8995 0.9328 0.9774 -0.1012 0.0415 0.1228 54 ARG B NH1 2054 N NH2 . ARG B 60 ? 1.0978 1.1216 1.1794 -0.1421 0.0436 0.1285 54 ARG B NH2 2055 N N . GLU B 61 ? 0.6677 0.5218 0.6364 -0.0564 0.0599 0.1200 55 GLU B N 2056 C CA . GLU B 61 ? 0.7533 0.5693 0.7090 -0.0577 0.0634 0.1223 55 GLU B CA 2057 C C . GLU B 61 ? 0.8711 0.6698 0.8316 -0.0792 0.0639 0.1163 55 GLU B C 2058 O O . GLU B 61 ? 0.9162 0.7325 0.8878 -0.0909 0.0574 0.1074 55 GLU B O 2059 C CB . GLU B 61 ? 0.7629 0.5653 0.7078 -0.0396 0.0571 0.1166 55 GLU B CB 2060 C CG . GLU B 61 ? 0.9820 0.7461 0.9155 -0.0357 0.0614 0.1203 55 GLU B CG 2061 C CD . GLU B 61 ? 1.0872 0.8423 1.0094 -0.0249 0.0680 0.1366 55 GLU B CD 2062 O OE1 . GLU B 61 ? 1.1390 0.9176 1.0586 -0.0191 0.0682 0.1427 55 GLU B OE1 2063 O OE2 . GLU B 61 ? 1.1602 0.8841 1.0752 -0.0218 0.0739 0.1437 55 GLU B OE2 2064 N N . SER B 62 ? 0.8651 0.6278 0.8157 -0.0851 0.0722 0.1215 56 SER B N 2065 C CA . SER B 62 ? 0.8787 0.6169 0.8286 -0.1073 0.0748 0.1145 56 SER B CA 2066 C C . SER B 62 ? 0.9378 0.6638 0.8834 -0.1063 0.0675 0.0984 56 SER B C 2067 O O . SER B 62 ? 0.8962 0.6140 0.8353 -0.0864 0.0648 0.0958 56 SER B O 2068 C CB . SER B 62 ? 0.9385 0.6341 0.8765 -0.1105 0.0875 0.1239 56 SER B CB 2069 O OG . SER B 62 ? 1.0297 0.7362 0.9696 -0.1093 0.0948 0.1403 56 SER B OG 2070 N N . GLY B 63 ? 0.8964 0.6231 0.8450 -0.1290 0.0643 0.0880 57 GLY B N 2071 C CA . GLY B 63 ? 0.9457 0.6627 0.8883 -0.1309 0.0579 0.0723 57 GLY B CA 2072 C C . GLY B 63 ? 0.9525 0.7071 0.9048 -0.1199 0.0457 0.0669 57 GLY B C 2073 O O . GLY B 63 ? 1.0244 0.7716 0.9709 -0.1183 0.0407 0.0550 57 GLY B O 2074 N N . VAL B 64 ? 0.8106 0.6034 0.7767 -0.1122 0.0421 0.0754 58 VAL B N 2075 C CA . VAL B 64 ? 0.7924 0.6179 0.7677 -0.0999 0.0325 0.0717 58 VAL B CA 2076 C C . VAL B 64 ? 0.7147 0.5748 0.7056 -0.1177 0.0257 0.0706 58 VAL B C 2077 O O . VAL B 64 ? 0.6443 0.5266 0.6480 -0.1268 0.0288 0.0804 58 VAL B O 2078 C CB . VAL B 64 ? 0.7503 0.5932 0.7289 -0.0791 0.0343 0.0809 58 VAL B CB 2079 C CG1 . VAL B 64 ? 0.7014 0.5761 0.6902 -0.0691 0.0262 0.0770 58 VAL B CG1 2080 C CG2 . VAL B 64 ? 0.6860 0.5010 0.6497 -0.0616 0.0380 0.0829 58 VAL B CG2 2081 N N . PRO B 65 ? 0.6337 0.5030 0.6255 -0.1222 0.0166 0.0608 59 PRO B N 2082 C CA . PRO B 65 ? 0.6473 0.5511 0.6535 -0.1410 0.0088 0.0613 59 PRO B CA 2083 C C . PRO B 65 ? 0.6643 0.6121 0.6934 -0.1347 0.0086 0.0743 59 PRO B C 2084 O O . PRO B 65 ? 0.6511 0.6056 0.6831 -0.1127 0.0121 0.0790 59 PRO B O 2085 C CB . PRO B 65 ? 0.7282 0.6355 0.7296 -0.1376 -0.0006 0.0506 59 PRO B CB 2086 C CG . PRO B 65 ? 0.7080 0.5728 0.6894 -0.1264 0.0041 0.0416 59 PRO B CG 2087 C CD . PRO B 65 ? 0.6679 0.5184 0.6477 -0.1101 0.0131 0.0500 59 PRO B CD 2088 N N . ASP B 66 ? 0.7004 0.6792 0.7457 -0.1551 0.0048 0.0801 60 ASP B N 2089 C CA . ASP B 66 ? 0.7800 0.8035 0.8508 -0.1506 0.0066 0.0945 60 ASP B CA 2090 C C . ASP B 66 ? 0.6838 0.7335 0.7659 -0.1292 0.0024 0.0963 60 ASP B C 2091 O O . ASP B 66 ? 0.6242 0.6988 0.7219 -0.1152 0.0086 0.1067 60 ASP B O 2092 C CB . ASP B 66 ? 1.0247 1.0810 1.1130 -0.1783 0.0012 0.1009 60 ASP B CB 2093 C CG . ASP B 66 ? 1.3364 1.3657 1.4136 -0.2030 0.0060 0.0989 60 ASP B CG 2094 O OD1 . ASP B 66 ? 1.5216 1.5196 1.5875 -0.1951 0.0172 0.1005 60 ASP B OD1 2095 O OD2 . ASP B 66 ? 1.3918 1.4309 1.4708 -0.2311 -0.0015 0.0960 60 ASP B OD2 2096 N N . ARG B 67 ? 0.5124 0.5559 0.5864 -0.1265 -0.0067 0.0864 61 ARG B N 2097 C CA . ARG B 67 ? 0.5764 0.6430 0.6612 -0.1079 -0.0104 0.0888 61 ARG B CA 2098 C C . ARG B 67 ? 0.5759 0.6269 0.6538 -0.0817 -0.0022 0.0880 61 ARG B C 2099 O O . ARG B 67 ? 0.5617 0.6281 0.6479 -0.0656 -0.0028 0.0900 61 ARG B O 2100 C CB . ARG B 67 ? 0.5620 0.6231 0.6374 -0.1122 -0.0214 0.0787 61 ARG B CB 2101 C CG . ARG B 67 ? 0.6214 0.6363 0.6701 -0.1089 -0.0202 0.0643 61 ARG B CG 2102 C CD . ARG B 67 ? 0.6724 0.6846 0.7123 -0.1123 -0.0295 0.0551 61 ARG B CD 2103 N NE . ARG B 67 ? 0.6273 0.5976 0.6445 -0.1067 -0.0265 0.0425 61 ARG B NE 2104 C CZ . ARG B 67 ? 0.7644 0.7030 0.7644 -0.1208 -0.0232 0.0343 61 ARG B CZ 2105 N NH1 . ARG B 67 ? 0.8567 0.7990 0.8575 -0.1440 -0.0233 0.0358 61 ARG B NH1 2106 N NH2 . ARG B 67 ? 0.6158 0.5188 0.5984 -0.1120 -0.0189 0.0249 61 ARG B NH2 2107 N N . PHE B 68 ? 0.5253 0.5461 0.5874 -0.0778 0.0054 0.0857 62 PHE B N 2108 C CA . PHE B 68 ? 0.6002 0.6091 0.6537 -0.0562 0.0125 0.0859 62 PHE B CA 2109 C C . PHE B 68 ? 0.6278 0.6534 0.6909 -0.0531 0.0234 0.0977 62 PHE B C 2110 O O . PHE B 68 ? 0.6360 0.6585 0.6998 -0.0664 0.0279 0.1033 62 PHE B O 2111 C CB . PHE B 68 ? 0.5483 0.5173 0.5784 -0.0522 0.0137 0.0785 62 PHE B CB 2112 C CG . PHE B 68 ? 0.5640 0.5158 0.5841 -0.0503 0.0057 0.0671 62 PHE B CG 2113 C CD1 . PHE B 68 ? 0.5433 0.4785 0.5567 -0.0661 0.0021 0.0608 62 PHE B CD1 2114 C CD2 . PHE B 68 ? 0.4806 0.4312 0.4967 -0.0335 0.0030 0.0623 62 PHE B CD2 2115 C CE1 . PHE B 68 ? 0.5758 0.4954 0.5794 -0.0637 -0.0034 0.0505 62 PHE B CE1 2116 C CE2 . PHE B 68 ? 0.5256 0.4623 0.5339 -0.0320 -0.0035 0.0529 62 PHE B CE2 2117 C CZ . PHE B 68 ? 0.5356 0.4576 0.5380 -0.0463 -0.0063 0.0473 62 PHE B CZ 2118 N N . SER B 69 ? 0.5604 0.6013 0.6297 -0.0358 0.0290 0.1011 63 SER B N 2119 C CA . SER B 69 ? 0.5823 0.6367 0.6576 -0.0301 0.0418 0.1113 63 SER B CA 2120 C C . SER B 69 ? 0.4950 0.5411 0.5583 -0.0084 0.0488 0.1077 63 SER B C 2121 O O . SER B 69 ? 0.5026 0.5455 0.5637 0.0016 0.0440 0.1005 63 SER B O 2122 C CB . SER B 69 ? 0.6051 0.7015 0.7106 -0.0366 0.0445 0.1236 63 SER B CB 2123 O OG . SER B 69 ? 0.7421 0.8587 0.8616 -0.0243 0.0426 0.1244 63 SER B OG 2124 N N . GLY B 70 ? 0.5062 0.5476 0.5597 -0.0027 0.0605 0.1126 64 GLY B N 2125 C CA . GLY B 70 ? 0.5547 0.5887 0.5937 0.0152 0.0689 0.1090 64 GLY B CA 2126 C C . GLY B 70 ? 0.5845 0.6398 0.6338 0.0208 0.0851 0.1194 64 GLY B C 2127 O O . GLY B 70 ? 0.5665 0.6392 0.6305 0.0102 0.0900 0.1304 64 GLY B O 2128 N N . SER B 71 ? 0.5958 0.6484 0.6365 0.0373 0.0947 0.1155 65 SER B N 2129 C CA . SER B 71 ? 0.6126 0.6834 0.6616 0.0461 0.1132 0.1242 65 SER B CA 2130 C C . SER B 71 ? 0.6688 0.7195 0.6922 0.0625 0.1233 0.1144 65 SER B C 2131 O O . SER B 71 ? 0.5858 0.6125 0.5887 0.0655 0.1143 0.1018 65 SER B O 2132 C CB . SER B 71 ? 0.6198 0.7269 0.7066 0.0474 0.1162 0.1347 65 SER B CB 2133 O OG . SER B 71 ? 0.8111 0.9160 0.9038 0.0546 0.1080 0.1280 65 SER B OG 2134 N N . GLY B 72 ? 0.8074 0.8682 0.8320 0.0724 0.1427 0.1201 66 GLY B N 2135 C CA . GLY B 72 ? 0.8507 0.8906 0.8472 0.0863 0.1556 0.1101 66 GLY B CA 2136 C C . GLY B 72 ? 0.8763 0.9070 0.8456 0.0852 0.1671 0.1121 66 GLY B C 2137 O O . GLY B 72 ? 0.7883 0.8235 0.7572 0.0737 0.1630 0.1204 66 GLY B O 2138 N N . SER B 73 ? 0.8970 0.9126 0.8414 0.0972 0.1828 0.1041 67 SER B N 2139 C CA . SER B 73 ? 1.0054 1.0120 0.9192 0.0975 0.1959 0.1051 67 SER B CA 2140 C C . SER B 73 ? 1.1574 1.1346 1.0312 0.1059 0.2030 0.0883 67 SER B C 2141 O O . SER B 73 ? 1.1537 1.1204 1.0297 0.1142 0.2045 0.0780 67 SER B O 2142 C CB . SER B 73 ? 0.9873 1.0200 0.9215 0.1025 0.2179 0.1198 67 SER B CB 2143 O OG . SER B 73 ? 1.0889 1.1116 0.9902 0.1031 0.2320 0.1204 67 SER B OG 2144 N N . GLY B 74 ? 1.2639 1.2272 1.0996 0.1025 0.2072 0.0858 68 GLY B N 2145 C CA . GLY B 74 ? 1.3243 1.2601 1.1161 0.1069 0.2138 0.0693 68 GLY B CA 2146 C C . GLY B 74 ? 1.3008 1.2164 1.0777 0.1021 0.1935 0.0548 68 GLY B C 2147 O O . GLY B 74 ? 1.2632 1.1715 1.0188 0.0925 0.1768 0.0533 68 GLY B O 2148 N N . THR B 75 ? 1.2799 1.1876 1.0694 0.1093 0.1953 0.0454 69 THR B N 2149 C CA . THR B 75 ? 1.2399 1.1275 1.0146 0.1049 0.1789 0.0307 69 THR B CA 2150 C C . THR B 75 ? 1.1746 1.0703 0.9867 0.1062 0.1666 0.0322 69 THR B C 2151 O O . THR B 75 ? 1.0485 0.9311 0.8525 0.1009 0.1507 0.0224 69 THR B O 2152 C CB . THR B 75 ? 1.2631 1.1220 1.0023 0.1100 0.1935 0.0129 69 THR B CB 2153 O OG1 . THR B 75 ? 1.2831 1.1423 1.0434 0.1246 0.2152 0.0139 69 THR B OG1 2154 C CG2 . THR B 75 ? 1.2101 1.0589 0.9044 0.1063 0.2038 0.0092 69 THR B CG2 2155 N N . ASP B 76 ? 1.1582 1.0768 1.0102 0.1123 0.1731 0.0448 70 ASP B N 2156 C CA . ASP B 76 ? 1.0491 0.9791 0.9359 0.1127 0.1610 0.0482 70 ASP B CA 2157 C C . ASP B 76 ? 0.8244 0.7786 0.7370 0.1025 0.1469 0.0617 70 ASP B C 2158 O O . ASP B 76 ? 0.9451 0.9178 0.8692 0.1010 0.1552 0.0740 70 ASP B O 2159 C CB . ASP B 76 ? 1.2132 1.1530 1.1268 0.1271 0.1783 0.0532 70 ASP B CB 2160 C CG . ASP B 76 ? 1.4298 1.3403 1.3254 0.1359 0.1866 0.0385 70 ASP B CG 2161 O OD1 . ASP B 76 ? 1.4699 1.3755 1.3678 0.1500 0.2098 0.0389 70 ASP B OD1 2162 O OD2 . ASP B 76 ? 1.4989 1.3907 1.3787 0.1286 0.1711 0.0268 70 ASP B OD2 2163 N N . PHE B 77 ? 0.6716 0.6242 0.5926 0.0949 0.1268 0.0591 71 PHE B N 2164 C CA . PHE B 77 ? 0.6327 0.6014 0.5729 0.0838 0.1136 0.0690 71 PHE B CA 2165 C C . PHE B 77 ? 0.6832 0.6574 0.6457 0.0807 0.0991 0.0677 71 PHE B C 2166 O O . PHE B 77 ? 0.6037 0.5630 0.5580 0.0838 0.0931 0.0573 71 PHE B O 2167 C CB . PHE B 77 ? 0.7068 0.6623 0.6223 0.0749 0.1035 0.0675 71 PHE B CB 2168 C CG . PHE B 77 ? 0.7080 0.6609 0.6012 0.0759 0.1162 0.0716 71 PHE B CG 2169 C CD1 . PHE B 77 ? 0.8268 0.7613 0.6845 0.0800 0.1216 0.0616 71 PHE B CD1 2170 C CD2 . PHE B 77 ? 0.7244 0.6933 0.6306 0.0711 0.1228 0.0855 71 PHE B CD2 2171 C CE1 . PHE B 77 ? 0.8659 0.7984 0.6997 0.0803 0.1335 0.0656 71 PHE B CE1 2172 C CE2 . PHE B 77 ? 0.7896 0.7566 0.6745 0.0720 0.1353 0.0905 71 PHE B CE2 2173 C CZ . PHE B 77 ? 0.7622 0.7112 0.6101 0.0771 0.1407 0.0806 71 PHE B CZ 2174 N N . THR B 78 ? 0.6248 0.6202 0.6138 0.0727 0.0933 0.0782 72 THR B N 2175 C CA . THR B 78 ? 0.4874 0.4928 0.4986 0.0690 0.0812 0.0788 72 THR B CA 2176 C C . THR B 78 ? 0.4738 0.4827 0.4909 0.0538 0.0678 0.0821 72 THR B C 2177 O O . THR B 78 ? 0.5046 0.5224 0.5261 0.0461 0.0714 0.0906 72 THR B O 2178 C CB . THR B 78 ? 0.6350 0.6682 0.6771 0.0755 0.0900 0.0894 72 THR B CB 2179 O OG1 . THR B 78 ? 0.7239 0.7470 0.7599 0.0912 0.1027 0.0847 72 THR B OG1 2180 C CG2 . THR B 78 ? 0.7539 0.8030 0.8189 0.0686 0.0760 0.0929 72 THR B CG2 2181 N N . LEU B 79 ? 0.5083 0.5079 0.5243 0.0494 0.0539 0.0752 73 LEU B N 2182 C CA . LEU B 79 ? 0.5341 0.5359 0.5577 0.0355 0.0424 0.0770 73 LEU B CA 2183 C C . LEU B 79 ? 0.5076 0.5295 0.5544 0.0322 0.0362 0.0799 73 LEU B C 2184 O O . LEU B 79 ? 0.5663 0.5877 0.6157 0.0408 0.0347 0.0759 73 LEU B O 2185 C CB . LEU B 79 ? 0.4516 0.4281 0.4555 0.0333 0.0323 0.0676 73 LEU B CB 2186 C CG . LEU B 79 ? 0.4819 0.4538 0.4899 0.0201 0.0230 0.0676 73 LEU B CG 2187 C CD1 . LEU B 79 ? 0.5199 0.4950 0.5310 0.0097 0.0279 0.0763 73 LEU B CD1 2188 C CD2 . LEU B 79 ? 0.4629 0.4114 0.4539 0.0218 0.0156 0.0598 73 LEU B CD2 2189 N N . THR B 80 ? 0.5009 0.5407 0.5637 0.0187 0.0326 0.0874 74 THR B N 2190 C CA . THR B 80 ? 0.5330 0.5978 0.6179 0.0131 0.0257 0.0924 74 THR B CA 2191 C C . THR B 80 ? 0.4855 0.5458 0.5678 -0.0056 0.0139 0.0890 74 THR B C 2192 O O . THR B 80 ? 0.4923 0.5485 0.5716 -0.0182 0.0150 0.0912 74 THR B O 2193 C CB . THR B 80 ? 0.5667 0.6672 0.6777 0.0135 0.0337 0.1072 74 THR B CB 2194 O OG1 . THR B 80 ? 0.7359 0.8379 0.8489 0.0328 0.0469 0.1095 74 THR B OG1 2195 C CG2 . THR B 80 ? 0.5122 0.6435 0.6467 0.0054 0.0241 0.1147 74 THR B CG2 2196 N N . ILE B 81 ? 0.4845 0.5434 0.5664 -0.0077 0.0039 0.0835 75 ILE B N 2197 C CA . ILE B 81 ? 0.5327 0.5908 0.6126 -0.0260 -0.0066 0.0801 75 ILE B CA 2198 C C . ILE B 81 ? 0.6346 0.7297 0.7367 -0.0324 -0.0125 0.0895 75 ILE B C 2199 O O . ILE B 81 ? 0.6579 0.7621 0.7660 -0.0228 -0.0158 0.0906 75 ILE B O 2200 C CB . ILE B 81 ? 0.5210 0.5511 0.5820 -0.0243 -0.0129 0.0673 75 ILE B CB 2201 C CG1 . ILE B 81 ? 0.5477 0.5485 0.5908 -0.0133 -0.0074 0.0610 75 ILE B CG1 2202 C CG2 . ILE B 81 ? 0.4799 0.5012 0.5333 -0.0437 -0.0198 0.0619 75 ILE B CG2 2203 C CD1 . ILE B 81 ? 0.4683 0.4453 0.4963 -0.0109 -0.0130 0.0503 75 ILE B CD1 2204 N N . SER B 82 ? 0.7026 0.8202 0.8174 -0.0494 -0.0144 0.0973 76 SER B N 2205 C CA . SER B 82 ? 0.6664 0.8283 0.8072 -0.0543 -0.0194 0.1107 76 SER B CA 2206 C C . SER B 82 ? 0.6879 0.8569 0.8250 -0.0653 -0.0332 0.1071 76 SER B C 2207 O O . SER B 82 ? 0.9007 1.1025 1.0564 -0.0611 -0.0380 0.1180 76 SER B O 2208 C CB . SER B 82 ? 0.4931 0.6806 0.6496 -0.0714 -0.0179 0.1210 76 SER B CB 2209 O OG . SER B 82 ? 0.6439 0.8071 0.7819 -0.0926 -0.0218 0.1113 76 SER B OG 2210 N N . SER B 83 ? 0.5489 0.6881 0.6622 -0.0784 -0.0388 0.0931 77 SER B N 2211 C CA . SER B 83 ? 0.5497 0.6920 0.6543 -0.0904 -0.0507 0.0878 77 SER B CA 2212 C C . SER B 83 ? 0.5557 0.6527 0.6326 -0.0865 -0.0494 0.0709 77 SER B C 2213 O O . SER B 83 ? 0.7244 0.7938 0.7839 -0.0990 -0.0478 0.0610 77 SER B O 2214 C CB . SER B 83 ? 0.6168 0.7780 0.7229 -0.1194 -0.0591 0.0897 77 SER B CB 2215 O OG . SER B 83 ? 0.7571 0.9183 0.8492 -0.1331 -0.0702 0.0829 77 SER B OG 2216 N N . LEU B 84 ? 0.5394 0.6291 0.6137 -0.0688 -0.0492 0.0685 78 LEU B N 2217 C CA . LEU B 84 ? 0.4761 0.5275 0.5288 -0.0616 -0.0468 0.0548 78 LEU B CA 2218 C C . LEU B 84 ? 0.4922 0.5287 0.5263 -0.0788 -0.0528 0.0442 78 LEU B C 2219 O O . LEU B 84 ? 0.4334 0.4890 0.4681 -0.0881 -0.0611 0.0460 78 LEU B O 2220 C CB . LEU B 84 ? 0.4981 0.5496 0.5544 -0.0419 -0.0459 0.0558 78 LEU B CB 2221 C CG . LEU B 84 ? 0.6194 0.6396 0.6610 -0.0287 -0.0422 0.0455 78 LEU B CG 2222 C CD1 . LEU B 84 ? 0.6989 0.7035 0.7249 -0.0359 -0.0470 0.0357 78 LEU B CD1 2223 C CD2 . LEU B 84 ? 0.4420 0.4400 0.4757 -0.0235 -0.0348 0.0417 78 LEU B CD2 2224 N N . GLN B 85 ? 0.5638 0.5657 0.5802 -0.0826 -0.0476 0.0336 79 GLN B N 2225 C CA . GLN B 85 ? 0.4149 0.3943 0.4104 -0.0959 -0.0494 0.0215 79 GLN B CA 2226 C C . GLN B 85 ? 0.4682 0.4204 0.4520 -0.0803 -0.0450 0.0131 79 GLN B C 2227 O O . GLN B 85 ? 0.5928 0.5387 0.5822 -0.0624 -0.0406 0.0155 79 GLN B O 2228 C CB . GLN B 85 ? 0.4523 0.4101 0.4365 -0.1133 -0.0449 0.0162 79 GLN B CB 2229 C CG . GLN B 85 ? 0.6667 0.6418 0.6478 -0.1397 -0.0524 0.0157 79 GLN B CG 2230 C CD . GLN B 85 ? 0.8980 0.8891 0.8924 -0.1520 -0.0517 0.0244 79 GLN B CD 2231 O OE1 . GLN B 85 ? 1.0518 1.0155 1.0374 -0.1590 -0.0440 0.0203 79 GLN B OE1 2232 N NE2 . GLN B 85 ? 0.9658 1.0022 0.9830 -0.1541 -0.0588 0.0379 79 GLN B NE2 2233 N N . ALA B 86 ? 0.4076 0.3451 0.3746 -0.0881 -0.0462 0.0032 80 ALA B N 2234 C CA . ALA B 86 ? 0.5632 0.4790 0.5214 -0.0739 -0.0418 -0.0036 80 ALA B CA 2235 C C . ALA B 86 ? 0.6128 0.5009 0.5680 -0.0629 -0.0327 -0.0057 80 ALA B C 2236 O O . ALA B 86 ? 0.8140 0.6971 0.7729 -0.0459 -0.0305 -0.0050 80 ALA B O 2237 C CB . ALA B 86 ? 0.5140 0.4161 0.4525 -0.0856 -0.0418 -0.0144 80 ALA B CB 2238 N N . GLU B 87 ? 0.6143 0.4856 0.5633 -0.0732 -0.0278 -0.0071 81 GLU B N 2239 C CA . GLU B 87 ? 0.6132 0.4588 0.5594 -0.0631 -0.0190 -0.0064 81 GLU B CA 2240 C C . GLU B 87 ? 0.6359 0.4961 0.5963 -0.0487 -0.0195 0.0037 81 GLU B C 2241 O O . GLU B 87 ? 0.7041 0.5478 0.6625 -0.0373 -0.0139 0.0060 81 GLU B O 2242 C CB . GLU B 87 ? 0.6399 0.4635 0.5759 -0.0796 -0.0130 -0.0092 81 GLU B CB 2243 C CG . GLU B 87 ? 0.9680 0.8154 0.9097 -0.0997 -0.0195 -0.0059 81 GLU B CG 2244 C CD . GLU B 87 ? 1.3434 1.1682 1.2749 -0.1187 -0.0134 -0.0087 81 GLU B CD 2245 O OE1 . GLU B 87 ? 1.4212 1.2623 1.3640 -0.1268 -0.0146 -0.0003 81 GLU B OE1 2246 O OE2 . GLU B 87 ? 1.5205 1.3099 1.4327 -0.1256 -0.0062 -0.0194 81 GLU B OE2 2247 N N . ASP B 88 ? 0.4979 0.3883 0.4718 -0.0485 -0.0252 0.0104 82 ASP B N 2248 C CA . ASP B 88 ? 0.4569 0.3581 0.4406 -0.0353 -0.0236 0.0184 82 ASP B CA 2249 C C . ASP B 88 ? 0.4832 0.3875 0.4691 -0.0187 -0.0254 0.0175 82 ASP B C 2250 O O . ASP B 88 ? 0.4585 0.3688 0.4486 -0.0083 -0.0238 0.0221 82 ASP B O 2251 C CB . ASP B 88 ? 0.4584 0.3890 0.4567 -0.0409 -0.0259 0.0268 82 ASP B CB 2252 C CG . ASP B 88 ? 0.6751 0.6074 0.6736 -0.0599 -0.0250 0.0289 82 ASP B CG 2253 O OD1 . ASP B 88 ? 0.8566 0.7627 0.8442 -0.0652 -0.0194 0.0259 82 ASP B OD1 2254 O OD2 . ASP B 88 ? 0.8040 0.7645 0.8147 -0.0697 -0.0297 0.0345 82 ASP B OD2 2255 N N . VAL B 89 ? 0.3638 0.2642 0.3457 -0.0175 -0.0283 0.0114 83 VAL B N 2256 C CA . VAL B 89 ? 0.5534 0.4543 0.5368 -0.0038 -0.0297 0.0101 83 VAL B CA 2257 C C . VAL B 89 ? 0.5003 0.3845 0.4783 0.0056 -0.0258 0.0104 83 VAL B C 2258 O O . VAL B 89 ? 0.5329 0.3984 0.5039 0.0042 -0.0218 0.0080 83 VAL B O 2259 C CB . VAL B 89 ? 0.4806 0.3806 0.4607 -0.0059 -0.0325 0.0043 83 VAL B CB 2260 C CG1 . VAL B 89 ? 0.5517 0.4479 0.5327 0.0063 -0.0326 0.0026 83 VAL B CG1 2261 C CG2 . VAL B 89 ? 0.5157 0.4379 0.5029 -0.0119 -0.0378 0.0074 83 VAL B CG2 2262 N N . ALA B 90 ? 0.3912 0.2819 0.3719 0.0150 -0.0263 0.0141 84 ALA B N 2263 C CA . ALA B 90 ? 0.3843 0.2652 0.3596 0.0232 -0.0243 0.0168 84 ALA B CA 2264 C C . ALA B 90 ? 0.4707 0.3622 0.4461 0.0303 -0.0261 0.0185 84 ALA B C 2265 O O . ALA B 90 ? 0.5023 0.4049 0.4826 0.0301 -0.0270 0.0174 84 ALA B O 2266 C CB . ALA B 90 ? 0.4435 0.3127 0.4142 0.0195 -0.0190 0.0216 84 ALA B CB 2267 N N . VAL B 91 ? 0.3897 0.2768 0.3585 0.0366 -0.0260 0.0215 85 VAL B N 2268 C CA . VAL B 91 ? 0.4655 0.3591 0.4286 0.0411 -0.0266 0.0224 85 VAL B CA 2269 C C . VAL B 91 ? 0.4189 0.3111 0.3764 0.0402 -0.0212 0.0288 85 VAL B C 2270 O O . VAL B 91 ? 0.5132 0.3966 0.4679 0.0396 -0.0190 0.0342 85 VAL B O 2271 C CB . VAL B 91 ? 0.5268 0.4206 0.4843 0.0465 -0.0317 0.0220 85 VAL B CB 2272 C CG1 . VAL B 91 ? 0.3632 0.2617 0.3103 0.0481 -0.0323 0.0203 85 VAL B CG1 2273 C CG2 . VAL B 91 ? 0.3472 0.2431 0.3123 0.0465 -0.0358 0.0168 85 VAL B CG2 2274 N N . TYR B 92 ? 0.4839 0.3836 0.4399 0.0408 -0.0175 0.0289 86 TYR B N 2275 C CA . TYR B 92 ? 0.4010 0.3020 0.3524 0.0400 -0.0108 0.0353 86 TYR B CA 2276 C C . TYR B 92 ? 0.5479 0.4487 0.4837 0.0454 -0.0095 0.0349 86 TYR B C 2277 O O . TYR B 92 ? 0.5356 0.4381 0.4675 0.0481 -0.0104 0.0283 86 TYR B O 2278 C CB . TYR B 92 ? 0.3763 0.2886 0.3396 0.0362 -0.0056 0.0370 86 TYR B CB 2279 C CG . TYR B 92 ? 0.4556 0.3695 0.4307 0.0275 -0.0079 0.0377 86 TYR B CG 2280 C CD1 . TYR B 92 ? 0.4726 0.3890 0.4546 0.0257 -0.0134 0.0324 86 TYR B CD1 2281 C CD2 . TYR B 92 ? 0.4881 0.3995 0.4652 0.0194 -0.0044 0.0433 86 TYR B CD2 2282 C CE1 . TYR B 92 ? 0.4514 0.3684 0.4398 0.0160 -0.0157 0.0319 86 TYR B CE1 2283 C CE2 . TYR B 92 ? 0.4934 0.4040 0.4775 0.0086 -0.0066 0.0422 86 TYR B CE2 2284 C CZ . TYR B 92 ? 0.4141 0.3278 0.4028 0.0067 -0.0124 0.0361 86 TYR B CZ 2285 O OH . TYR B 92 ? 0.4693 0.3814 0.4607 -0.0057 -0.0147 0.0338 86 TYR B OH 2286 N N . TYR B 93 ? 0.4438 0.3410 0.3689 0.0462 -0.0071 0.0419 87 TYR B N 2287 C CA . TYR B 93 ? 0.4195 0.3172 0.3255 0.0495 -0.0057 0.0422 87 TYR B CA 2288 C C . TYR B 93 ? 0.4631 0.3630 0.3638 0.0490 0.0047 0.0487 87 TYR B C 2289 O O . TYR B 93 ? 0.5569 0.4558 0.4653 0.0456 0.0083 0.0566 87 TYR B O 2290 C CB . TYR B 93 ? 0.4613 0.3564 0.3566 0.0517 -0.0129 0.0473 87 TYR B CB 2291 C CG . TYR B 93 ? 0.4303 0.3267 0.3312 0.0528 -0.0225 0.0425 87 TYR B CG 2292 C CD1 . TYR B 93 ? 0.4328 0.3338 0.3233 0.0524 -0.0284 0.0356 87 TYR B CD1 2293 C CD2 . TYR B 93 ? 0.4635 0.3559 0.3793 0.0532 -0.0249 0.0445 87 TYR B CD2 2294 C CE1 . TYR B 93 ? 0.4630 0.3680 0.3609 0.0523 -0.0371 0.0323 87 TYR B CE1 2295 C CE2 . TYR B 93 ? 0.4012 0.2967 0.3235 0.0549 -0.0322 0.0410 87 TYR B CE2 2296 C CZ . TYR B 93 ? 0.4928 0.3962 0.4077 0.0544 -0.0386 0.0356 87 TYR B CZ 2297 O OH . TYR B 93 ? 0.5546 0.4636 0.4782 0.0550 -0.0456 0.0333 87 TYR B OH 2298 N N . CYS B 94 ? 0.5051 0.4068 0.3919 0.0516 0.0105 0.0450 88 CYS B N 2299 C CA . CYS B 94 ? 0.5932 0.4969 0.4695 0.0520 0.0208 0.0519 88 CYS B CA 2300 C C . CYS B 94 ? 0.5690 0.4688 0.4201 0.0528 0.0171 0.0555 88 CYS B C 2301 O O . CYS B 94 ? 0.6218 0.5201 0.4628 0.0531 0.0074 0.0506 88 CYS B O 2302 C CB . CYS B 94 ? 0.4680 0.3754 0.3425 0.0554 0.0325 0.0467 88 CYS B CB 2303 S SG . CYS B 94 ? 0.8047 0.7026 0.6566 0.0585 0.0319 0.0324 88 CYS B SG 2304 N N . GLN B 95 ? 0.5522 0.4527 0.3940 0.0525 0.0246 0.0655 89 GLN B N 2305 C CA . GLN B 95 ? 0.5380 0.4373 0.3545 0.0532 0.0213 0.0716 89 GLN B CA 2306 C C . GLN B 95 ? 0.6132 0.5142 0.4139 0.0533 0.0347 0.0772 89 GLN B C 2307 O O . GLN B 95 ? 0.6505 0.5538 0.4653 0.0520 0.0442 0.0848 89 GLN B O 2308 C CB . GLN B 95 ? 0.5221 0.4185 0.3453 0.0536 0.0136 0.0838 89 GLN B CB 2309 C CG . GLN B 95 ? 0.6767 0.5748 0.4769 0.0552 0.0109 0.0956 89 GLN B CG 2310 C CD . GLN B 95 ? 0.7791 0.6722 0.5821 0.0551 0.0192 0.1116 89 GLN B CD 2311 O OE1 . GLN B 95 ? 0.7694 0.6547 0.5934 0.0536 0.0216 0.1157 89 GLN B OE1 2312 N NE2 . GLN B 95 ? 0.7432 0.6392 0.5228 0.0553 0.0245 0.1203 89 GLN B NE2 2313 N N . GLN B 96 ? 0.6572 0.5577 0.4280 0.0536 0.0359 0.0729 90 GLN B N 2314 C CA . GLN B 96 ? 0.7292 0.6308 0.4784 0.0539 0.0487 0.0787 90 GLN B CA 2315 C C . GLN B 96 ? 0.7482 0.6509 0.4657 0.0521 0.0403 0.0840 90 GLN B C 2316 O O . GLN B 96 ? 0.7032 0.6056 0.4034 0.0498 0.0309 0.0739 90 GLN B O 2317 C CB . GLN B 96 ? 0.6581 0.5572 0.3979 0.0560 0.0628 0.0664 90 GLN B CB 2318 C CG . GLN B 96 ? 0.8676 0.7681 0.5861 0.0570 0.0789 0.0725 90 GLN B CG 2319 C CD . GLN B 96 ? 1.0285 0.9257 0.7429 0.0615 0.0966 0.0616 90 GLN B CD 2320 O OE1 . GLN B 96 ? 1.0846 0.9718 0.7857 0.0623 0.0963 0.0461 90 GLN B OE1 2321 N NE2 . GLN B 96 ? 1.0624 0.9676 0.7892 0.0645 0.1133 0.0702 90 GLN B NE2 2322 N N . TYR B 97 ? 0.7295 0.6345 0.4396 0.0523 0.0435 0.1006 91 TYR B N 2323 C CA . TYR B 97 ? 0.6880 0.5977 0.3721 0.0515 0.0339 0.1112 91 TYR B CA 2324 C C . TYR B 97 ? 0.6551 0.5682 0.3527 0.0524 0.0157 0.1115 91 TYR B C 2325 O O . TYR B 97 ? 0.7066 0.6158 0.4347 0.0550 0.0135 0.1151 91 TYR B O 2326 C CB . TYR B 97 ? 0.6988 0.6097 0.3424 0.0480 0.0381 0.1027 91 TYR B CB 2327 C CG . TYR B 97 ? 0.7680 0.6765 0.3995 0.0489 0.0581 0.1064 91 TYR B CG 2328 C CD1 . TYR B 97 ? 0.7837 0.6955 0.4101 0.0496 0.0633 0.1262 91 TYR B CD1 2329 C CD2 . TYR B 97 ? 0.8375 0.7404 0.4646 0.0497 0.0732 0.0914 91 TYR B CD2 2330 C CE1 . TYR B 97 ? 0.8721 0.7836 0.4893 0.0499 0.0825 0.1307 91 TYR B CE1 2331 C CE2 . TYR B 97 ? 0.9020 0.8051 0.5206 0.0516 0.0931 0.0960 91 TYR B CE2 2332 C CZ . TYR B 97 ? 0.9239 0.8324 0.5377 0.0511 0.0975 0.1156 91 TYR B CZ 2333 O OH . TYR B 97 ? 0.8568 0.7675 0.4633 0.0524 0.1183 0.1212 91 TYR B OH 2334 N N . TYR B 98 ? 0.7515 0.6726 0.4281 0.0496 0.0028 0.1078 96 TYR B N 2335 C CA . TYR B 98 ? 0.7980 0.7268 0.4898 0.0509 -0.0140 0.1105 96 TYR B CA 2336 C C . TYR B 98 ? 0.8361 0.7651 0.5288 0.0460 -0.0209 0.0905 96 TYR B C 2337 O O . TYR B 98 ? 0.8788 0.8192 0.5676 0.0430 -0.0359 0.0898 96 TYR B O 2338 C CB . TYR B 98 ? 0.8169 0.7601 0.4898 0.0514 -0.0255 0.1277 96 TYR B CB 2339 C CG . TYR B 98 ? 0.7728 0.7125 0.4365 0.0549 -0.0151 0.1457 96 TYR B CG 2340 C CD1 . TYR B 98 ? 0.7045 0.6324 0.3950 0.0603 -0.0057 0.1559 96 TYR B CD1 2341 C CD2 . TYR B 98 ? 0.7261 0.6728 0.3528 0.0511 -0.0135 0.1517 96 TYR B CD2 2342 C CE1 . TYR B 98 ? 0.6951 0.6180 0.3780 0.0621 0.0050 0.1724 96 TYR B CE1 2343 C CE2 . TYR B 98 ? 0.7456 0.6888 0.3639 0.0541 -0.0027 0.1691 96 TYR B CE2 2344 C CZ . TYR B 98 ? 0.7294 0.6605 0.3771 0.0596 0.0067 0.1798 96 TYR B CZ 2345 O OH . TYR B 98 ? 0.8004 0.7267 0.4402 0.0611 0.0181 0.1976 96 TYR B OH 2346 N N . SER B 99 ? 0.7366 0.6542 0.4358 0.0452 -0.0096 0.0754 97 SER B N 2347 C CA . SER B 99 ? 0.6105 0.5237 0.3145 0.0417 -0.0130 0.0572 97 SER B CA 2348 C C . SER B 99 ? 0.6963 0.6039 0.4365 0.0463 -0.0088 0.0548 97 SER B C 2349 O O . SER B 99 ? 0.7774 0.6802 0.5291 0.0495 0.0038 0.0581 97 SER B O 2350 C CB . SER B 99 ? 0.7034 0.6060 0.3801 0.0375 -0.0018 0.0413 97 SER B CB 2351 O OG . SER B 99 ? 1.0318 0.9385 0.6702 0.0300 -0.0075 0.0395 97 SER B OG 2352 N N . PHE B 100 ? 0.6228 0.5328 0.3805 0.0456 -0.0193 0.0498 98 PHE B N 2353 C CA . PHE B 100 ? 0.5962 0.5018 0.3849 0.0487 -0.0167 0.0467 98 PHE B CA 2354 C C . PHE B 100 ? 0.6008 0.4996 0.3907 0.0464 -0.0135 0.0302 98 PHE B C 2355 O O . PHE B 100 ? 0.8530 0.7500 0.6239 0.0412 -0.0179 0.0203 98 PHE B O 2356 C CB . PHE B 100 ? 0.5325 0.4440 0.3413 0.0508 -0.0281 0.0535 98 PHE B CB 2357 C CG . PHE B 100 ? 0.5763 0.4883 0.3918 0.0553 -0.0273 0.0703 98 PHE B CG 2358 C CD1 . PHE B 100 ? 0.6750 0.5959 0.4764 0.0569 -0.0343 0.0828 98 PHE B CD1 2359 C CD2 . PHE B 100 ? 0.5395 0.4430 0.3748 0.0573 -0.0194 0.0743 98 PHE B CD2 2360 C CE1 . PHE B 100 ? 0.6801 0.5984 0.4880 0.0625 -0.0319 0.1000 98 PHE B CE1 2361 C CE2 . PHE B 100 ? 0.6233 0.5221 0.4634 0.0605 -0.0170 0.0892 98 PHE B CE2 2362 C CZ . PHE B 100 ? 0.5566 0.4615 0.3834 0.0642 -0.0224 0.1025 98 PHE B CZ 2363 N N . GLY B 101 ? 0.6075 0.5023 0.4192 0.0494 -0.0057 0.0280 99 GLY B N 2364 C CA . GLY B 101 ? 0.5799 0.4688 0.3990 0.0491 -0.0034 0.0157 99 GLY B CA 2365 C C . GLY B 101 ? 0.5612 0.4531 0.3929 0.0467 -0.0162 0.0125 99 GLY B C 2366 O O . GLY B 101 ? 0.7045 0.6037 0.5454 0.0470 -0.0251 0.0206 99 GLY B O 2367 N N . GLY B 102 ? 0.5385 0.4237 0.3711 0.0448 -0.0155 0.0011 100 GLY B N 2368 C CA . GLY B 102 ? 0.5157 0.4041 0.3593 0.0415 -0.0266 -0.0024 100 GLY B CA 2369 C C . GLY B 102 ? 0.5841 0.4777 0.4556 0.0449 -0.0289 0.0032 100 GLY B C 2370 O O . GLY B 102 ? 0.6821 0.5810 0.5635 0.0432 -0.0380 0.0035 100 GLY B O 2371 N N . GLY B 103 ? 0.5587 0.4517 0.4422 0.0487 -0.0208 0.0078 101 GLY B N 2372 C CA . GLY B 103 ? 0.5112 0.4079 0.4173 0.0496 -0.0223 0.0120 101 GLY B CA 2373 C C . GLY B 103 ? 0.6159 0.5116 0.5350 0.0505 -0.0177 0.0075 101 GLY B C 2374 O O . GLY B 103 ? 0.6405 0.5305 0.5541 0.0508 -0.0155 0.0003 101 GLY B O 2375 N N . THR B 104 ? 0.5934 0.4943 0.5292 0.0503 -0.0161 0.0125 102 THR B N 2376 C CA . THR B 104 ? 0.5372 0.4420 0.4880 0.0508 -0.0139 0.0114 102 THR B CA 2377 C C . THR B 104 ? 0.5280 0.4364 0.4911 0.0470 -0.0202 0.0132 102 THR B C 2378 O O . THR B 104 ? 0.5698 0.4796 0.5362 0.0438 -0.0201 0.0180 102 THR B O 2379 C CB . THR B 104 ? 0.6046 0.5168 0.5631 0.0531 -0.0046 0.0167 102 THR B CB 2380 O OG1 . THR B 104 ? 0.7395 0.6456 0.6853 0.0580 0.0040 0.0137 102 THR B OG1 2381 C CG2 . THR B 104 ? 0.4997 0.4209 0.4765 0.0535 -0.0043 0.0190 102 THR B CG2 2382 N N . LYS B 105 ? 0.4643 0.3721 0.4325 0.0465 -0.0246 0.0091 103 LYS B N 2383 C CA . LYS B 105 ? 0.4661 0.3761 0.4431 0.0429 -0.0292 0.0096 103 LYS B CA 2384 C C . LYS B 105 ? 0.5460 0.4650 0.5347 0.0405 -0.0273 0.0128 103 LYS B C 2385 O O . LYS B 105 ? 0.6708 0.5937 0.6646 0.0436 -0.0250 0.0132 103 LYS B O 2386 C CB . LYS B 105 ? 0.4529 0.3603 0.4299 0.0431 -0.0344 0.0049 103 LYS B CB 2387 C CG . LYS B 105 ? 0.5245 0.4315 0.5062 0.0407 -0.0375 0.0052 103 LYS B CG 2388 C CD . LYS B 105 ? 0.6766 0.5840 0.6598 0.0415 -0.0416 0.0020 103 LYS B CD 2389 C CE . LYS B 105 ? 0.6865 0.5923 0.6739 0.0410 -0.0419 0.0026 103 LYS B CE 2390 N N . VAL B 106 ? 0.4350 0.3572 0.4276 0.0345 -0.0281 0.0157 104 VAL B N 2391 C CA . VAL B 106 ? 0.4481 0.3835 0.4513 0.0294 -0.0280 0.0200 104 VAL B CA 2392 C C . VAL B 106 ? 0.5084 0.4429 0.5118 0.0231 -0.0330 0.0170 104 VAL B C 2393 O O . VAL B 106 ? 0.4754 0.3989 0.4720 0.0193 -0.0336 0.0135 104 VAL B O 2394 C CB . VAL B 106 ? 0.5081 0.4490 0.5136 0.0238 -0.0249 0.0252 104 VAL B CB 2395 C CG1 . VAL B 106 ? 0.3945 0.3524 0.4111 0.0150 -0.0274 0.0299 104 VAL B CG1 2396 C CG2 . VAL B 106 ? 0.4407 0.3848 0.4461 0.0305 -0.0183 0.0290 104 VAL B CG2 2397 N N . GLU B 107 ? 0.5378 0.4829 0.5482 0.0229 -0.0353 0.0189 105 GLU B N 2398 C CA . GLU B 107 ? 0.5485 0.4941 0.5570 0.0171 -0.0395 0.0162 105 GLU B CA 2399 C C . GLU B 107 ? 0.5297 0.4946 0.5460 0.0105 -0.0426 0.0227 105 GLU B C 2400 O O . GLU B 107 ? 0.4052 0.3852 0.4323 0.0126 -0.0412 0.0306 105 GLU B O 2401 C CB . GLU B 107 ? 0.5695 0.5091 0.5768 0.0231 -0.0403 0.0128 105 GLU B CB 2402 C CG . GLU B 107 ? 0.7807 0.7229 0.7939 0.0312 -0.0379 0.0159 105 GLU B CG 2403 N N . ILE B 108 ? 0.4868 0.4530 0.4977 0.0024 -0.0465 0.0202 106 ILE B N 2404 C CA . ILE B 108 ? 0.4157 0.4031 0.4317 -0.0056 -0.0515 0.0270 106 ILE B CA 2405 C C . ILE B 108 ? 0.4589 0.4564 0.4837 0.0033 -0.0522 0.0340 106 ILE B C 2406 O O . ILE B 108 ? 0.4638 0.4500 0.4835 0.0077 -0.0514 0.0298 106 ILE B O 2407 C CB . ILE B 108 ? 0.5740 0.5568 0.5758 -0.0191 -0.0548 0.0205 106 ILE B CB 2408 C CG1 . ILE B 108 ? 0.3365 0.3028 0.3278 -0.0281 -0.0520 0.0130 106 ILE B CG1 2409 C CG2 . ILE B 108 ? 0.3274 0.3355 0.3325 -0.0289 -0.0618 0.0284 106 ILE B CG2 2410 C CD1 . ILE B 108 ? 0.6244 0.6032 0.6240 -0.0341 -0.0527 0.0190 106 ILE B CD1 2411 N N . LYS B 109 ? 0.4507 0.4701 0.4899 0.0059 -0.0531 0.0458 107 LYS B N 2412 C CA . LYS B 109 ? 0.3339 0.3641 0.3823 0.0137 -0.0535 0.0552 107 LYS B CA 2413 C C . LYS B 109 ? 0.4076 0.4556 0.4524 0.0027 -0.0616 0.0602 107 LYS B C 2414 O O . LYS B 109 ? 0.5519 0.6180 0.5969 -0.0096 -0.0672 0.0634 107 LYS B O 2415 C CB . LYS B 109 ? 0.5156 0.5613 0.5827 0.0242 -0.0488 0.0677 107 LYS B CB 2416 C CG . LYS B 109 ? 0.5924 0.6497 0.6714 0.0337 -0.0478 0.0806 107 LYS B CG 2417 C CD . LYS B 109 ? 0.7365 0.8154 0.8369 0.0434 -0.0429 0.0958 107 LYS B CD 2418 C CE . LYS B 109 ? 0.7984 0.8564 0.9023 0.0597 -0.0301 0.0940 107 LYS B CE 2419 N NZ . LYS B 109 ? 0.8171 0.8602 0.9201 0.0687 -0.0263 0.0963 107 LYS B NZ 2420 N N . ARG B 110 ? 0.4888 0.5318 0.5288 0.0056 -0.0622 0.0607 108 ARG B N 2421 C CA . ARG B 110 ? 0.3450 0.4046 0.3793 -0.0033 -0.0692 0.0667 108 ARG B CA 2422 C C . ARG B 110 ? 0.3410 0.4061 0.3852 0.0082 -0.0673 0.0789 108 ARG B C 2423 O O . ARG B 110 ? 0.4709 0.5219 0.5238 0.0216 -0.0599 0.0797 108 ARG B O 2424 C CB . ARG B 110 ? 0.3599 0.4025 0.3723 -0.0136 -0.0700 0.0529 108 ARG B CB 2425 C CG . ARG B 110 ? 0.4088 0.4269 0.4172 -0.0045 -0.0634 0.0447 108 ARG B CG 2426 C CD . ARG B 110 ? 0.4894 0.5008 0.4811 -0.0117 -0.0636 0.0385 108 ARG B CD 2427 N NE . ARG B 110 ? 0.4103 0.4393 0.4021 -0.0133 -0.0676 0.0502 108 ARG B NE 2428 C CZ . ARG B 110 ? 0.4437 0.4757 0.4188 -0.0229 -0.0696 0.0481 108 ARG B CZ 2429 N NH1 . ARG B 110 ? 0.4064 0.4564 0.3816 -0.0238 -0.0737 0.0610 108 ARG B NH1 2430 N NH2 . ARG B 110 ? 0.5161 0.5326 0.4731 -0.0315 -0.0666 0.0337 108 ARG B NH2 2431 N N . THR B 111 ? 0.3200 0.4039 0.3611 0.0023 -0.0736 0.0884 109 THR B N 2432 C CA . THR B 111 ? 0.3221 0.4092 0.3721 0.0135 -0.0711 0.1016 109 THR B CA 2433 C C . THR B 111 ? 0.3509 0.4089 0.3911 0.0177 -0.0647 0.0913 109 THR B C 2434 O O . THR B 111 ? 0.4653 0.5050 0.4925 0.0121 -0.0632 0.0753 109 THR B O 2435 C CB . THR B 111 ? 0.3323 0.4478 0.3796 0.0059 -0.0799 0.1159 109 THR B CB 2436 O OG1 . THR B 111 ? 0.4968 0.6052 0.5197 -0.0087 -0.0837 0.1039 109 THR B OG1 2437 C CG2 . THR B 111 ? 0.3332 0.4833 0.3924 0.0000 -0.0878 0.1279 109 THR B CG2 2438 N N . VAL B 112 ? 0.4630 0.5182 0.5115 0.0278 -0.0606 0.1022 110 VAL B N 2439 C CA . VAL B 112 ? 0.4464 0.4756 0.4896 0.0317 -0.0539 0.0947 110 VAL B CA 2440 C C . VAL B 112 ? 0.5339 0.5643 0.5606 0.0213 -0.0572 0.0908 110 VAL B C 2441 O O . VAL B 112 ? 0.5676 0.6183 0.5894 0.0158 -0.0630 0.1014 110 VAL B O 2442 C CB . VAL B 112 ? 0.3665 0.3890 0.4236 0.0452 -0.0468 0.1081 110 VAL B CB 2443 C CG1 . VAL B 112 ? 0.3869 0.3845 0.4383 0.0461 -0.0407 0.1021 110 VAL B CG1 2444 C CG2 . VAL B 112 ? 0.3318 0.3471 0.4013 0.0555 -0.0407 0.1077 110 VAL B CG2 2445 N N . ALA B 113 ? 0.4491 0.4598 0.4667 0.0184 -0.0535 0.0759 111 ALA B N 2446 C CA . ALA B 113 ? 0.3690 0.3776 0.3725 0.0111 -0.0530 0.0720 111 ALA B CA 2447 C C . ALA B 113 ? 0.4041 0.3939 0.4121 0.0161 -0.0459 0.0688 111 ALA B C 2448 O O . ALA B 113 ? 0.3875 0.3625 0.4000 0.0191 -0.0428 0.0587 111 ALA B O 2449 C CB . ALA B 113 ? 0.4099 0.4157 0.3980 0.0013 -0.0544 0.0574 111 ALA B CB 2450 N N . ALA B 114 ? 0.4725 0.4642 0.4792 0.0161 -0.0438 0.0783 112 ALA B N 2451 C CA . ALA B 114 ? 0.4370 0.4125 0.4480 0.0182 -0.0371 0.0763 112 ALA B CA 2452 C C . ALA B 114 ? 0.4238 0.3949 0.4263 0.0118 -0.0347 0.0630 112 ALA B C 2453 O O . ALA B 114 ? 0.5409 0.5205 0.5300 0.0057 -0.0362 0.0592 112 ALA B O 2454 C CB . ALA B 114 ? 0.4109 0.3898 0.4230 0.0195 -0.0346 0.0921 112 ALA B CB 2455 N N . PRO B 115 ? 0.4242 0.3824 0.4340 0.0130 -0.0305 0.0561 113 PRO B N 2456 C CA . PRO B 115 ? 0.4997 0.4573 0.5057 0.0089 -0.0274 0.0462 113 PRO B CA 2457 C C . PRO B 115 ? 0.5217 0.4849 0.5219 0.0047 -0.0227 0.0520 113 PRO B C 2458 O O . PRO B 115 ? 0.5410 0.5035 0.5443 0.0049 -0.0210 0.0632 113 PRO B O 2459 C CB . PRO B 115 ? 0.3592 0.3061 0.3772 0.0105 -0.0259 0.0403 113 PRO B CB 2460 C CG . PRO B 115 ? 0.4458 0.3829 0.4705 0.0134 -0.0253 0.0481 113 PRO B CG 2461 C CD . PRO B 115 ? 0.5337 0.4775 0.5550 0.0175 -0.0284 0.0564 113 PRO B CD 2462 N N . SER B 116 ? 0.6393 0.6067 0.6303 0.0014 -0.0192 0.0448 114 SER B N 2463 C CA . SER B 116 ? 0.5920 0.5636 0.5790 -0.0020 -0.0120 0.0478 114 SER B CA 2464 C C . SER B 116 ? 0.5673 0.5362 0.5697 -0.0010 -0.0074 0.0429 114 SER B C 2465 O O . SER B 116 ? 0.5497 0.5172 0.5566 0.0017 -0.0077 0.0337 114 SER B O 2466 C CB . SER B 116 ? 0.4522 0.4287 0.4192 -0.0059 -0.0085 0.0424 114 SER B CB 2467 O OG . SER B 116 ? 0.7728 0.7522 0.7272 -0.0085 -0.0157 0.0423 114 SER B OG 2468 N N . VAL B 117 ? 0.5710 0.5404 0.5821 -0.0037 -0.0035 0.0503 115 VAL B N 2469 C CA . VAL B 117 ? 0.4246 0.3941 0.4531 -0.0053 -0.0013 0.0477 115 VAL B CA 2470 C C . VAL B 117 ? 0.4348 0.4155 0.4658 -0.0079 0.0079 0.0491 115 VAL B C 2471 O O . VAL B 117 ? 0.4865 0.4700 0.5114 -0.0113 0.0132 0.0575 115 VAL B O 2472 C CB . VAL B 117 ? 0.4773 0.4365 0.5155 -0.0085 -0.0030 0.0540 115 VAL B CB 2473 C CG1 . VAL B 117 ? 0.4261 0.3869 0.4806 -0.0135 -0.0026 0.0497 115 VAL B CG1 2474 C CG2 . VAL B 117 ? 0.5765 0.5240 0.6116 -0.0040 -0.0093 0.0536 115 VAL B CG2 2475 N N . PHE B 118 ? 0.4611 0.4495 0.5020 -0.0056 0.0105 0.0423 116 PHE B N 2476 C CA . PHE B 118 ? 0.4779 0.4797 0.5268 -0.0063 0.0205 0.0441 116 PHE B CA 2477 C C . PHE B 118 ? 0.5705 0.5827 0.6440 -0.0087 0.0186 0.0444 116 PHE B C 2478 O O . PHE B 118 ? 0.6111 0.6211 0.6916 -0.0073 0.0104 0.0394 116 PHE B O 2479 C CB . PHE B 118 ? 0.4580 0.4624 0.4968 0.0004 0.0280 0.0372 116 PHE B CB 2480 C CG . PHE B 118 ? 0.5155 0.5095 0.5276 0.0004 0.0276 0.0339 116 PHE B CG 2481 C CD1 . PHE B 118 ? 0.5811 0.5769 0.5755 -0.0031 0.0352 0.0374 116 PHE B CD1 2482 C CD2 . PHE B 118 ? 0.4935 0.4776 0.4974 0.0025 0.0193 0.0277 116 PHE B CD2 2483 C CE1 . PHE B 118 ? 0.6217 0.6107 0.5899 -0.0056 0.0333 0.0345 116 PHE B CE1 2484 C CE2 . PHE B 118 ? 0.5137 0.4915 0.4941 0.0000 0.0178 0.0252 116 PHE B CE2 2485 C CZ . PHE B 118 ? 0.5461 0.5269 0.5082 -0.0046 0.0241 0.0284 116 PHE B CZ 2486 N N . ILE B 119 ? 0.5229 0.5485 0.6093 -0.0136 0.0258 0.0509 117 ILE B N 2487 C CA . ILE B 119 ? 0.5150 0.5571 0.6265 -0.0178 0.0241 0.0525 117 ILE B CA 2488 C C . ILE B 119 ? 0.5769 0.6405 0.7003 -0.0128 0.0360 0.0555 117 ILE B C 2489 O O . ILE B 119 ? 0.5621 0.6261 0.6746 -0.0106 0.0474 0.0582 117 ILE B O 2490 C CB . ILE B 119 ? 0.5201 0.5594 0.6408 -0.0310 0.0213 0.0586 117 ILE B CB 2491 C CG1 . ILE B 119 ? 0.4984 0.5525 0.6417 -0.0387 0.0146 0.0577 117 ILE B CG1 2492 C CG2 . ILE B 119 ? 0.4049 0.4510 0.5265 -0.0357 0.0326 0.0680 117 ILE B CG2 2493 C CD1 . ILE B 119 ? 0.5122 0.5592 0.6622 -0.0544 0.0122 0.0616 117 ILE B CD1 2494 N N . PHE B 120 ? 0.5290 0.6112 0.6741 -0.0102 0.0339 0.0556 118 PHE B N 2495 C CA . PHE B 120 ? 0.3861 0.4918 0.5479 -0.0027 0.0460 0.0600 118 PHE B CA 2496 C C . PHE B 120 ? 0.4185 0.5528 0.6121 -0.0111 0.0420 0.0680 118 PHE B C 2497 O O . PHE B 120 ? 0.4699 0.6109 0.6746 -0.0140 0.0294 0.0665 118 PHE B O 2498 C CB . PHE B 120 ? 0.3460 0.4499 0.5053 0.0122 0.0486 0.0546 118 PHE B CB 2499 C CG . PHE B 120 ? 0.5722 0.6490 0.7004 0.0181 0.0520 0.0458 118 PHE B CG 2500 C CD1 . PHE B 120 ? 0.3701 0.4415 0.4829 0.0232 0.0676 0.0443 118 PHE B CD1 2501 C CD2 . PHE B 120 ? 0.5250 0.5825 0.6384 0.0173 0.0398 0.0390 118 PHE B CD2 2502 C CE1 . PHE B 120 ? 0.5090 0.5566 0.5913 0.0256 0.0695 0.0355 118 PHE B CE1 2503 C CE2 . PHE B 120 ? 0.5968 0.6329 0.6833 0.0206 0.0419 0.0318 118 PHE B CE2 2504 C CZ . PHE B 120 ? 0.5434 0.5746 0.6137 0.0237 0.0560 0.0297 118 PHE B CZ 2505 N N . PRO B 121 ? 0.4554 0.6086 0.6638 -0.0164 0.0520 0.0767 119 PRO B N 2506 C CA . PRO B 121 ? 0.4860 0.6726 0.7281 -0.0252 0.0487 0.0854 119 PRO B CA 2507 C C . PRO B 121 ? 0.3922 0.6059 0.6565 -0.0116 0.0514 0.0891 119 PRO B C 2508 O O . PRO B 121 ? 0.3563 0.5599 0.6093 0.0053 0.0600 0.0850 119 PRO B O 2509 C CB . PRO B 121 ? 0.4138 0.6124 0.6635 -0.0322 0.0622 0.0945 119 PRO B CB 2510 C CG . PRO B 121 ? 0.3919 0.5699 0.6142 -0.0212 0.0758 0.0909 119 PRO B CG 2511 C CD . PRO B 121 ? 0.4005 0.5458 0.5941 -0.0172 0.0657 0.0798 119 PRO B CD 2512 N N . PRO B 122 ? 0.4941 0.7424 0.7901 -0.0187 0.0443 0.0975 120 PRO B N 2513 C CA . PRO B 122 ? 0.4326 0.7112 0.7536 -0.0038 0.0474 0.1046 120 PRO B CA 2514 C C . PRO B 122 ? 0.4023 0.6958 0.7347 0.0108 0.0702 0.1119 120 PRO B C 2515 O O . PRO B 122 ? 0.5453 0.8474 0.8828 0.0035 0.0807 0.1171 120 PRO B O 2516 C CB . PRO B 122 ? 0.3884 0.7052 0.7411 -0.0193 0.0332 0.1138 120 PRO B CB 2517 C CG . PRO B 122 ? 0.4918 0.7873 0.8286 -0.0421 0.0206 0.1066 120 PRO B CG 2518 C CD . PRO B 122 ? 0.5091 0.7702 0.8191 -0.0414 0.0324 0.1010 120 PRO B CD 2519 N N . SER B 123 ? 0.4148 0.7095 0.7500 0.0319 0.0791 0.1124 121 SER B N 2520 C CA . SER B 123 ? 0.5077 0.8167 0.8556 0.0486 0.1029 0.1195 121 SER B CA 2521 C C . SER B 123 ? 0.5111 0.8738 0.9054 0.0461 0.1058 0.1372 121 SER B C 2522 O O . SER B 123 ? 0.4727 0.8644 0.8916 0.0359 0.0880 0.1446 121 SER B O 2523 C CB . SER B 123 ? 0.5562 0.8513 0.8980 0.0717 0.1119 0.1163 121 SER B CB 2524 O OG . SER B 123 ? 0.6570 0.9784 1.0256 0.0763 0.0987 0.1251 121 SER B OG 2525 N N . ASP B 124 ? 0.5750 0.9523 0.9808 0.0547 0.1286 0.1444 122 ASP B N 2526 C CA . ASP B 124 ? 0.6279 1.0606 1.0818 0.0549 0.1338 0.1633 122 ASP B CA 2527 C C . ASP B 124 ? 0.4752 0.9373 0.9599 0.0733 0.1322 0.1743 122 ASP B C 2528 O O . ASP B 124 ? 0.4325 0.9450 0.9585 0.0674 0.1227 0.1902 122 ASP B O 2529 C CB . ASP B 124 ? 0.7596 1.2003 1.2178 0.0624 0.1616 0.1687 122 ASP B CB 2530 C CG . ASP B 124 ? 0.9478 1.3754 1.3878 0.0409 0.1612 0.1650 122 ASP B CG 2531 O OD1 . ASP B 124 ? 0.8807 1.3237 1.3337 0.0182 0.1430 0.1689 122 ASP B OD1 2532 O OD2 . ASP B 124 ? 1.1516 1.5521 1.5624 0.0459 0.1792 0.1582 122 ASP B OD2 2533 N N . GLU B 125 ? 0.4695 0.9015 0.9350 0.0947 0.1408 0.1670 123 GLU B N 2534 C CA . GLU B 125 ? 0.4526 0.9081 0.9454 0.1138 0.1394 0.1786 123 GLU B CA 2535 C C . GLU B 125 ? 0.4889 0.9657 0.9943 0.0987 0.1087 0.1828 123 GLU B C 2536 O O . GLU B 125 ? 0.4734 0.9988 1.0189 0.1035 0.1020 0.2008 123 GLU B O 2537 C CB . GLU B 125 ? 0.5656 0.9747 1.0284 0.1358 0.1528 0.1673 123 GLU B CB 2538 C CG . GLU B 125 ? 0.6130 0.9774 1.0364 0.1387 0.1741 0.1516 123 GLU B CG 2539 N N . GLN B 126 ? 0.4627 0.9055 0.9342 0.0803 0.0902 0.1670 124 GLN B N 2540 C CA . GLN B 126 ? 0.4344 0.8922 0.9118 0.0653 0.0625 0.1686 124 GLN B CA 2541 C C . GLN B 126 ? 0.4109 0.9175 0.9209 0.0431 0.0501 0.1804 124 GLN B C 2542 O O . GLN B 126 ? 0.4475 0.9915 0.9814 0.0367 0.0324 0.1910 124 GLN B O 2543 C CB . GLN B 126 ? 0.4102 0.8184 0.8434 0.0518 0.0486 0.1487 124 GLN B CB 2544 C CG . GLN B 126 ? 0.3071 0.7240 0.7401 0.0391 0.0227 0.1482 124 GLN B CG 2545 C CD . GLN B 126 ? 0.4588 0.8267 0.8496 0.0279 0.0117 0.1292 124 GLN B CD 2546 O OE1 . GLN B 126 ? 0.4833 0.8170 0.8488 0.0240 0.0200 0.1181 124 GLN B OE1 2547 N NE2 . GLN B 126 ? 0.3175 0.6836 0.7008 0.0231 -0.0066 0.1267 124 GLN B NE2 2548 N N . LEU B 127 ? 0.4736 0.9811 0.9842 0.0296 0.0586 0.1793 125 LEU B N 2549 C CA . LEU B 127 ? 0.4363 0.9847 0.9744 0.0042 0.0464 0.1887 125 LEU B CA 2550 C C . LEU B 127 ? 0.5351 1.1508 1.1263 0.0116 0.0479 0.2121 125 LEU B C 2551 O O . LEU B 127 ? 0.6636 1.3211 1.2805 -0.0100 0.0302 0.2214 125 LEU B O 2552 C CB . LEU B 127 ? 0.4145 0.9486 0.9429 -0.0094 0.0585 0.1846 125 LEU B CB 2553 C CG . LEU B 127 ? 0.4058 0.8812 0.8870 -0.0215 0.0537 0.1652 125 LEU B CG 2554 C CD1 . LEU B 127 ? 0.3744 0.8413 0.8501 -0.0318 0.0680 0.1656 125 LEU B CD1 2555 C CD2 . LEU B 127 ? 0.3245 0.7917 0.7954 -0.0448 0.0277 0.1576 125 LEU B CD2 2556 N N . LYS B 128 ? 0.4027 1.0305 1.0113 0.0414 0.0691 0.2223 126 LYS B N 2557 C CA . LYS B 128 ? 0.4524 1.1410 1.1093 0.0517 0.0707 0.2454 126 LYS B CA 2558 C C . LYS B 128 ? 0.5367 1.2401 1.1964 0.0507 0.0462 0.2500 126 LYS B C 2559 O O . LYS B 128 ? 0.6929 1.4359 1.3751 0.0454 0.0357 0.2633 126 LYS B O 2560 C CB . LYS B 128 ? 0.4749 1.1543 1.1353 0.0849 0.1004 0.2507 126 LYS B CB 2561 C CG . LYS B 128 ? 0.4117 1.0886 1.0738 0.0855 0.1255 0.2504 126 LYS B CG 2562 N N . SER B 129 ? 0.6309 1.3033 1.2668 0.0549 0.0367 0.2395 127 SER B N 2563 C CA . SER B 129 ? 0.6247 1.3069 1.2587 0.0566 0.0158 0.2439 127 SER B CA 2564 C C . SER B 129 ? 0.6531 1.3526 1.2830 0.0226 -0.0144 0.2401 127 SER B C 2565 O O . SER B 129 ? 0.7651 1.4804 1.3944 0.0203 -0.0326 0.2456 127 SER B O 2566 C CB . SER B 129 ? 0.5638 1.1979 1.1668 0.0754 0.0192 0.2325 127 SER B CB 2567 O OG . SER B 129 ? 0.5858 1.1684 1.1428 0.0560 0.0082 0.2088 127 SER B OG 2568 N N . GLY B 130 ? 0.4947 1.1849 1.1158 -0.0045 -0.0192 0.2296 128 GLY B N 2569 C CA . GLY B 130 ? 0.3189 1.0231 0.9357 -0.0391 -0.0451 0.2251 128 GLY B CA 2570 C C . GLY B 130 ? 0.4966 1.1389 1.0620 -0.0555 -0.0555 0.1999 128 GLY B C 2571 O O . GLY B 130 ? 0.5630 1.2062 1.1198 -0.0865 -0.0722 0.1927 128 GLY B O 2572 N N . THR B 131 ? 0.3498 0.9386 0.8810 -0.0363 -0.0458 0.1865 129 THR B N 2573 C CA . THR B 131 ? 0.4926 1.0241 0.9775 -0.0492 -0.0536 0.1642 129 THR B CA 2574 C C . THR B 131 ? 0.5209 1.0049 0.9817 -0.0410 -0.0338 0.1524 129 THR B C 2575 O O . THR B 131 ? 0.5142 1.0045 0.9885 -0.0230 -0.0136 0.1595 129 THR B O 2576 C CB . THR B 131 ? 0.6170 1.1275 1.0789 -0.0378 -0.0640 0.1582 129 THR B CB 2577 O OG1 . THR B 131 ? 0.8388 1.3360 1.3008 -0.0061 -0.0469 0.1620 129 THR B OG1 2578 C CG2 . THR B 131 ? 0.5287 1.0871 1.0108 -0.0473 -0.0852 0.1706 129 THR B CG2 2579 N N . ALA B 132 ? 0.3488 0.7855 0.7728 -0.0545 -0.0394 0.1347 130 ALA B N 2580 C CA . ALA B 132 ? 0.3588 0.7509 0.7569 -0.0501 -0.0243 0.1240 130 ALA B CA 2581 C C . ALA B 132 ? 0.3922 0.7339 0.7501 -0.0484 -0.0306 0.1074 130 ALA B C 2582 O O . ALA B 132 ? 0.5117 0.8424 0.8559 -0.0655 -0.0463 0.0996 130 ALA B O 2583 C CB . ALA B 132 ? 0.3393 0.7314 0.7411 -0.0730 -0.0221 0.1237 130 ALA B CB 2584 N N . SER B 133 ? 0.4441 0.7557 0.7827 -0.0285 -0.0178 0.1018 131 SER B N 2585 C CA . SER B 133 ? 0.4322 0.6989 0.7353 -0.0253 -0.0221 0.0876 131 SER B CA 2586 C C . SER B 133 ? 0.3827 0.6147 0.6630 -0.0251 -0.0101 0.0802 131 SER B C 2587 O O . SER B 133 ? 0.5357 0.7667 0.8169 -0.0120 0.0058 0.0831 131 SER B O 2588 C CB . SER B 133 ? 0.3034 0.5651 0.6017 -0.0036 -0.0198 0.0879 131 SER B CB 2589 O OG . SER B 133 ? 0.3190 0.6128 0.6367 -0.0029 -0.0319 0.0966 131 SER B OG 2590 N N . VAL B 134 ? 0.3652 0.5684 0.6242 -0.0391 -0.0172 0.0712 132 VAL B N 2591 C CA . VAL B 134 ? 0.3396 0.5085 0.5744 -0.0378 -0.0086 0.0652 132 VAL B CA 2592 C C . VAL B 134 ? 0.4074 0.5452 0.6158 -0.0282 -0.0125 0.0553 132 VAL B C 2593 O O . VAL B 134 ? 0.4409 0.5715 0.6426 -0.0328 -0.0248 0.0500 132 VAL B O 2594 C CB . VAL B 134 ? 0.3877 0.5440 0.6183 -0.0578 -0.0115 0.0641 132 VAL B CB 2595 C CG1 . VAL B 134 ? 0.3802 0.5120 0.5933 -0.0549 0.0001 0.0639 132 VAL B CG1 2596 C CG2 . VAL B 134 ? 0.4255 0.6166 0.6851 -0.0727 -0.0129 0.0732 132 VAL B CG2 2597 N N . VAL B 135 ? 0.4265 0.5465 0.6187 -0.0161 -0.0022 0.0527 133 VAL B N 2598 C CA . VAL B 135 ? 0.3616 0.4564 0.5313 -0.0068 -0.0047 0.0446 133 VAL B CA 2599 C C . VAL B 135 ? 0.4519 0.5193 0.5988 -0.0103 -0.0021 0.0407 133 VAL B C 2600 O O . VAL B 135 ? 0.5626 0.6294 0.7059 -0.0104 0.0078 0.0442 133 VAL B O 2601 C CB . VAL B 135 ? 0.4175 0.5155 0.5867 0.0101 0.0048 0.0448 133 VAL B CB 2602 C CG1 . VAL B 135 ? 0.5290 0.6008 0.6750 0.0169 0.0018 0.0364 133 VAL B CG1 2603 C CG2 . VAL B 135 ? 0.3844 0.5116 0.5791 0.0161 0.0031 0.0519 133 VAL B CG2 2604 N N . CYS B 136 ? 0.4435 0.4901 0.5757 -0.0127 -0.0107 0.0347 134 CYS B N 2605 C CA . CYS B 136 ? 0.4875 0.5100 0.5996 -0.0130 -0.0094 0.0325 134 CYS B CA 2606 C C . CYS B 136 ? 0.5567 0.5675 0.6534 -0.0026 -0.0105 0.0270 134 CYS B C 2607 O O . CYS B 136 ? 0.5198 0.5295 0.6168 0.0006 -0.0171 0.0228 134 CYS B O 2608 C CB . CYS B 136 ? 0.5541 0.5614 0.6629 -0.0231 -0.0164 0.0309 134 CYS B CB 2609 S SG . CYS B 136 ? 0.7045 0.6851 0.7956 -0.0238 -0.0138 0.0331 134 CYS B SG 2610 N N . LEU B 137 ? 0.4168 0.4199 0.4990 0.0014 -0.0041 0.0272 135 LEU B N 2611 C CA . LEU B 137 ? 0.3228 0.3150 0.3894 0.0084 -0.0047 0.0218 135 LEU B CA 2612 C C . LEU B 137 ? 0.5222 0.5003 0.5736 0.0059 -0.0082 0.0227 135 LEU B C 2613 O O . LEU B 137 ? 0.3341 0.3117 0.3794 0.0025 -0.0043 0.0280 135 LEU B O 2614 C CB . LEU B 137 ? 0.3825 0.3778 0.4425 0.0142 0.0058 0.0203 135 LEU B CB 2615 C CG . LEU B 137 ? 0.5209 0.5019 0.5599 0.0172 0.0061 0.0142 135 LEU B CG 2616 C CD1 . LEU B 137 ? 0.5740 0.5493 0.6151 0.0222 0.0004 0.0095 135 LEU B CD1 2617 C CD2 . LEU B 137 ? 0.5109 0.4906 0.5384 0.0200 0.0186 0.0115 135 LEU B CD2 2618 N N . LEU B 138 ? 0.4281 0.3969 0.4742 0.0081 -0.0151 0.0189 136 LEU B N 2619 C CA . LEU B 138 ? 0.4169 0.3761 0.4509 0.0080 -0.0182 0.0208 136 LEU B CA 2620 C C . LEU B 138 ? 0.3638 0.3209 0.3856 0.0114 -0.0184 0.0158 136 LEU B C 2621 O O . LEU B 138 ? 0.4798 0.4337 0.5031 0.0148 -0.0214 0.0108 136 LEU B O 2622 C CB . LEU B 138 ? 0.3762 0.3260 0.4138 0.0077 -0.0240 0.0207 136 LEU B CB 2623 C CG . LEU B 138 ? 0.4491 0.3925 0.4947 0.0028 -0.0243 0.0235 136 LEU B CG 2624 C CD1 . LEU B 138 ? 0.5581 0.5112 0.6158 -0.0025 -0.0234 0.0219 136 LEU B CD1 2625 C CD2 . LEU B 138 ? 0.3361 0.2674 0.3799 0.0045 -0.0285 0.0196 136 LEU B CD2 2626 N N . ASN B 139 ? 0.3705 0.3289 0.3789 0.0092 -0.0153 0.0174 137 ASN B N 2627 C CA . ASN B 139 ? 0.4924 0.4473 0.4864 0.0092 -0.0139 0.0112 137 ASN B CA 2628 C C . ASN B 139 ? 0.4911 0.4455 0.4754 0.0061 -0.0207 0.0137 137 ASN B C 2629 O O . ASN B 139 ? 0.3762 0.3360 0.3589 0.0037 -0.0232 0.0222 137 ASN B O 2630 C CB . ASN B 139 ? 0.5283 0.4851 0.5106 0.0069 -0.0047 0.0094 137 ASN B CB 2631 C CG . ASN B 139 ? 0.6768 0.6245 0.6433 0.0065 -0.0004 0.0003 137 ASN B CG 2632 O OD1 . ASN B 139 ? 0.7711 0.7126 0.7436 0.0121 0.0029 -0.0050 137 ASN B OD1 2633 N ND2 . ASN B 139 ? 0.7928 0.7392 0.7381 -0.0009 -0.0002 -0.0011 137 ASN B ND2 2634 N N . ASN B 140 ? 0.4625 0.4118 0.4424 0.0065 -0.0234 0.0080 138 ASN B N 2635 C CA . ASN B 140 ? 0.4010 0.3529 0.3706 0.0017 -0.0291 0.0092 138 ASN B CA 2636 C C . ASN B 140 ? 0.5327 0.4926 0.5112 0.0032 -0.0353 0.0198 138 ASN B C 2637 O O . ASN B 140 ? 0.4989 0.4686 0.4721 -0.0005 -0.0379 0.0280 138 ASN B O 2638 C CB . ASN B 140 ? 0.3597 0.3141 0.3091 -0.0068 -0.0267 0.0073 138 ASN B CB 2639 C CG . ASN B 140 ? 0.5376 0.4791 0.4747 -0.0081 -0.0185 -0.0044 138 ASN B CG 2640 O OD1 . ASN B 140 ? 0.5790 0.5113 0.5244 -0.0021 -0.0156 -0.0095 138 ASN B OD1 2641 N ND2 . ASN B 140 ? 0.6456 0.5854 0.5617 -0.0160 -0.0141 -0.0083 138 ASN B ND2 2642 N N . PHE B 141 ? 0.4796 0.4350 0.4710 0.0090 -0.0371 0.0200 139 PHE B N 2643 C CA . PHE B 141 ? 0.4161 0.3748 0.4164 0.0126 -0.0400 0.0293 139 PHE B CA 2644 C C . PHE B 141 ? 0.4268 0.3848 0.4313 0.0155 -0.0430 0.0281 139 PHE B C 2645 O O . PHE B 141 ? 0.3553 0.3083 0.3569 0.0149 -0.0431 0.0200 139 PHE B O 2646 C CB . PHE B 141 ? 0.3187 0.2694 0.3290 0.0163 -0.0367 0.0314 139 PHE B CB 2647 C CG . PHE B 141 ? 0.3258 0.2676 0.3413 0.0182 -0.0359 0.0228 139 PHE B CG 2648 C CD1 . PHE B 141 ? 0.3692 0.3040 0.3890 0.0220 -0.0372 0.0211 139 PHE B CD1 2649 C CD2 . PHE B 141 ? 0.3939 0.3361 0.4101 0.0163 -0.0334 0.0173 139 PHE B CD2 2650 C CE1 . PHE B 141 ? 0.4609 0.3897 0.4831 0.0224 -0.0376 0.0137 139 PHE B CE1 2651 C CE2 . PHE B 141 ? 0.3074 0.2463 0.3298 0.0178 -0.0341 0.0116 139 PHE B CE2 2652 C CZ . PHE B 141 ? 0.3053 0.2376 0.3295 0.0200 -0.0370 0.0097 139 PHE B CZ 2653 N N . TYR B 142 ? 0.4626 0.4259 0.4745 0.0195 -0.0443 0.0376 140 TYR B N 2654 C CA . TYR B 142 ? 0.4852 0.4494 0.5033 0.0237 -0.0452 0.0384 140 TYR B CA 2655 C C . TYR B 142 ? 0.4990 0.4631 0.5281 0.0318 -0.0424 0.0492 140 TYR B C 2656 O O . TYR B 142 ? 0.4799 0.4523 0.5116 0.0326 -0.0426 0.0603 140 TYR B O 2657 C CB . TYR B 142 ? 0.3095 0.2881 0.3234 0.0177 -0.0500 0.0398 140 TYR B CB 2658 C CG . TYR B 142 ? 0.4391 0.4185 0.4600 0.0215 -0.0497 0.0399 140 TYR B CG 2659 C CD1 . TYR B 142 ? 0.3018 0.2707 0.3181 0.0202 -0.0487 0.0298 140 TYR B CD1 2660 C CD2 . TYR B 142 ? 0.3703 0.3607 0.4035 0.0278 -0.0490 0.0513 140 TYR B CD2 2661 C CE1 . TYR B 142 ? 0.2991 0.2685 0.3206 0.0236 -0.0475 0.0303 140 TYR B CE1 2662 C CE2 . TYR B 142 ? 0.3234 0.3147 0.3632 0.0321 -0.0468 0.0515 140 TYR B CE2 2663 C CZ . TYR B 142 ? 0.3293 0.3100 0.3622 0.0292 -0.0462 0.0406 140 TYR B CZ 2664 O OH . TYR B 142 ? 0.4684 0.4505 0.5067 0.0330 -0.0433 0.0415 140 TYR B OH 2665 N N . PRO B 143 ? 0.3123 0.2658 0.3466 0.0383 -0.0385 0.0465 141 PRO B N 2666 C CA . PRO B 143 ? 0.3304 0.2747 0.3605 0.0376 -0.0383 0.0351 141 PRO B CA 2667 C C . PRO B 143 ? 0.4367 0.3670 0.4623 0.0353 -0.0373 0.0256 141 PRO B C 2668 O O . PRO B 143 ? 0.4559 0.3842 0.4816 0.0328 -0.0366 0.0269 141 PRO B O 2669 C CB . PRO B 143 ? 0.3732 0.3130 0.4094 0.0457 -0.0333 0.0382 141 PRO B CB 2670 C CG . PRO B 143 ? 0.3663 0.3012 0.4092 0.0517 -0.0283 0.0474 141 PRO B CG 2671 C CD . PRO B 143 ? 0.3198 0.2709 0.3642 0.0477 -0.0331 0.0565 141 PRO B CD 2672 N N . ARG B 144 ? 0.4206 0.3437 0.4427 0.0357 -0.0373 0.0176 142 ARG B N 2673 C CA . ARG B 144 ? 0.5059 0.4225 0.5248 0.0325 -0.0386 0.0097 142 ARG B CA 2674 C C . ARG B 144 ? 0.4962 0.4015 0.5163 0.0314 -0.0360 0.0084 142 ARG B C 2675 O O . ARG B 144 ? 0.6476 0.5534 0.6688 0.0266 -0.0374 0.0056 142 ARG B O 2676 C CB . ARG B 144 ? 0.5452 0.4592 0.5595 0.0335 -0.0400 0.0040 142 ARG B CB 2677 C CG . ARG B 144 ? 0.6405 0.5544 0.6532 0.0308 -0.0428 -0.0015 142 ARG B CG 2678 C CD . ARG B 144 ? 0.6913 0.6033 0.6985 0.0326 -0.0442 -0.0046 142 ARG B CD 2679 N NE . ARG B 144 ? 0.9113 0.8280 0.9190 0.0316 -0.0477 -0.0065 142 ARG B NE 2680 C CZ . ARG B 144 ? 1.0402 0.9585 1.0484 0.0283 -0.0508 -0.0089 142 ARG B CZ 2681 N NH1 . ARG B 144 ? 1.0045 0.9152 1.0100 0.0244 -0.0501 -0.0117 142 ARG B NH1 2682 N NH2 . ARG B 144 ? 1.1844 1.1120 1.1962 0.0287 -0.0542 -0.0079 142 ARG B NH2 2683 N N A GLU B 145 ? 0.4285 0.3230 0.4487 0.0355 -0.0311 0.0105 143 GLU B N 2684 N N B GLU B 145 ? 0.4287 0.3231 0.4488 0.0355 -0.0311 0.0105 143 GLU B N 2685 C CA A GLU B 145 ? 0.4944 0.3719 0.5124 0.0330 -0.0272 0.0071 143 GLU B CA 2686 C CA B GLU B 145 ? 0.4949 0.3721 0.5130 0.0332 -0.0270 0.0073 143 GLU B CA 2687 C C A GLU B 145 ? 0.5649 0.4424 0.5879 0.0290 -0.0265 0.0118 143 GLU B C 2688 C C B GLU B 145 ? 0.5641 0.4421 0.5873 0.0289 -0.0266 0.0119 143 GLU B C 2689 O O A GLU B 145 ? 0.5691 0.4523 0.5971 0.0326 -0.0247 0.0215 143 GLU B O 2690 O O B GLU B 145 ? 0.5623 0.4467 0.5904 0.0323 -0.0251 0.0215 143 GLU B O 2691 C CB A GLU B 145 ? 0.4935 0.3561 0.5101 0.0401 -0.0191 0.0093 143 GLU B CB 2692 C CB B GLU B 145 ? 0.4952 0.3581 0.5126 0.0406 -0.0187 0.0103 143 GLU B CB 2693 C CG A GLU B 145 ? 0.5440 0.4021 0.5525 0.0425 -0.0178 0.0025 143 GLU B CG 2694 C CG B GLU B 145 ? 0.5750 0.4127 0.5865 0.0375 -0.0121 0.0052 143 GLU B CG 2695 C CD A GLU B 145 ? 0.6129 0.4895 0.6249 0.0462 -0.0214 0.0064 143 GLU B CD 2696 C CD B GLU B 145 ? 0.6168 0.4357 0.6263 0.0468 -0.0006 0.0074 143 GLU B CD 2697 O OE1 A GLU B 145 ? 0.4656 0.3547 0.4867 0.0503 -0.0212 0.0162 143 GLU B OE1 2698 O OE1 B GLU B 145 ? 0.5053 0.3349 0.5231 0.0571 0.0024 0.0169 143 GLU B OE1 2699 O OE2 A GLU B 145 ? 0.5572 0.4362 0.5624 0.0440 -0.0248 0.0004 143 GLU B OE2 2700 O OE2 B GLU B 145 ? 0.7527 0.5458 0.7523 0.0434 0.0062 -0.0004 143 GLU B OE2 2701 N N . ALA B 146 ? 0.5594 0.4332 0.5814 0.0208 -0.0283 0.0059 144 ALA B N 2702 C CA . ALA B 146 ? 0.5264 0.4016 0.5538 0.0154 -0.0273 0.0100 144 ALA B CA 2703 C C . ALA B 146 ? 0.5647 0.4307 0.5906 0.0052 -0.0280 0.0025 144 ALA B C 2704 O O . ALA B 146 ? 0.6569 0.5266 0.6790 0.0014 -0.0330 -0.0052 144 ALA B O 2705 C CB . ALA B 146 ? 0.3904 0.2860 0.4218 0.0147 -0.0311 0.0129 144 ALA B CB 2706 N N . LYS B 147 ? 0.5656 0.4201 0.5940 -0.0002 -0.0234 0.0057 145 LYS B N 2707 C CA . LYS B 147 ? 0.7089 0.5540 0.7360 -0.0131 -0.0240 -0.0011 145 LYS B CA 2708 C C . LYS B 147 ? 0.7767 0.6360 0.8145 -0.0202 -0.0248 0.0045 145 LYS B C 2709 O O . LYS B 147 ? 0.6669 0.5223 0.7083 -0.0179 -0.0192 0.0136 145 LYS B O 2710 C CB . LYS B 147 ? 0.6809 0.4936 0.7000 -0.0151 -0.0153 -0.0032 145 LYS B CB 2711 C CG . LYS B 147 ? 0.8294 0.6279 0.8424 -0.0317 -0.0160 -0.0131 145 LYS B CG 2712 C CD . LYS B 147 ? 0.9470 0.7075 0.9512 -0.0338 -0.0044 -0.0148 145 LYS B CD 2713 C CE . LYS B 147 ? 1.0889 0.8296 1.0814 -0.0223 0.0025 -0.0188 145 LYS B CE 2714 N N . VAL B 148 ? 0.7421 0.6199 0.7857 -0.0280 -0.0313 0.0005 146 VAL B N 2715 C CA . VAL B 148 ? 0.6924 0.5868 0.7483 -0.0353 -0.0313 0.0055 146 VAL B CA 2716 C C . VAL B 148 ? 0.7323 0.6217 0.7902 -0.0520 -0.0334 0.0003 146 VAL B C 2717 O O . VAL B 148 ? 0.7854 0.6775 0.8389 -0.0582 -0.0402 -0.0077 146 VAL B O 2718 C CB . VAL B 148 ? 0.6618 0.5850 0.7264 -0.0303 -0.0356 0.0071 146 VAL B CB 2719 C CG1 . VAL B 148 ? 0.6673 0.6082 0.7456 -0.0359 -0.0327 0.0136 146 VAL B CG1 2720 C CG2 . VAL B 148 ? 0.6354 0.5599 0.6943 -0.0169 -0.0340 0.0096 146 VAL B CG2 2721 N N . GLN B 149 ? 0.6038 0.4862 0.6672 -0.0606 -0.0280 0.0053 147 GLN B N 2722 C CA . GLN B 149 ? 0.6894 0.5662 0.7550 -0.0797 -0.0295 0.0007 147 GLN B CA 2723 C C . GLN B 149 ? 0.6445 0.5450 0.7279 -0.0877 -0.0286 0.0090 147 GLN B C 2724 O O . GLN B 149 ? 0.5957 0.4955 0.6833 -0.0820 -0.0211 0.0185 147 GLN B O 2725 C CB . GLN B 149 ? 0.8394 0.6760 0.8926 -0.0853 -0.0212 -0.0021 147 GLN B CB 2726 C CG . GLN B 149 ? 0.9844 0.7969 1.0194 -0.0831 -0.0215 -0.0133 147 GLN B CG 2727 C CD . GLN B 149 ? 1.1079 0.8771 1.1308 -0.0847 -0.0097 -0.0152 147 GLN B CD 2728 O OE1 . GLN B 149 ? 1.1856 0.9428 1.2117 -0.0735 -0.0007 -0.0046 147 GLN B OE1 2729 N NE2 . GLN B 149 ? 1.1268 0.8717 1.1347 -0.0989 -0.0091 -0.0283 147 GLN B NE2 2730 N N . TRP B 150 ? 0.6631 0.5867 0.7572 -0.1009 -0.0362 0.0064 148 TRP B N 2731 C CA . TRP B 150 ? 0.4897 0.4403 0.6040 -0.1094 -0.0351 0.0147 148 TRP B CA 2732 C C . TRP B 150 ? 0.5087 0.4425 0.6239 -0.1303 -0.0318 0.0142 148 TRP B C 2733 O O . TRP B 150 ? 0.6225 0.5388 0.7272 -0.1451 -0.0362 0.0042 148 TRP B O 2734 C CB . TRP B 150 ? 0.4762 0.4660 0.6060 -0.1122 -0.0449 0.0151 148 TRP B CB 2735 C CG . TRP B 150 ? 0.4439 0.4532 0.5786 -0.0922 -0.0444 0.0193 148 TRP B CG 2736 C CD1 . TRP B 150 ? 0.4315 0.4440 0.5590 -0.0813 -0.0504 0.0148 148 TRP B CD1 2737 C CD2 . TRP B 150 ? 0.3849 0.4102 0.5305 -0.0812 -0.0360 0.0284 148 TRP B CD2 2738 N NE1 . TRP B 150 ? 0.4610 0.4886 0.5949 -0.0646 -0.0461 0.0204 148 TRP B NE1 2739 C CE2 . TRP B 150 ? 0.3511 0.3863 0.4950 -0.0643 -0.0370 0.0279 148 TRP B CE2 2740 C CE3 . TRP B 150 ? 0.4795 0.5104 0.6346 -0.0845 -0.0267 0.0368 148 TRP B CE3 2741 C CZ2 . TRP B 150 ? 0.4219 0.4696 0.5714 -0.0514 -0.0287 0.0338 148 TRP B CZ2 2742 C CZ3 . TRP B 150 ? 0.5343 0.5804 0.6948 -0.0710 -0.0187 0.0432 148 TRP B CZ3 2743 C CH2 . TRP B 150 ? 0.4177 0.4708 0.5745 -0.0549 -0.0195 0.0409 148 TRP B CH2 2744 N N . LYS B 151 ? 0.5436 0.4813 0.6695 -0.1324 -0.0233 0.0245 149 LYS B N 2745 C CA . LYS B 151 ? 0.6060 0.5294 0.7354 -0.1533 -0.0189 0.0260 149 LYS B CA 2746 C C . LYS B 151 ? 0.5710 0.5322 0.7251 -0.1608 -0.0175 0.0367 149 LYS B C 2747 O O . LYS B 151 ? 0.6213 0.6019 0.7835 -0.1459 -0.0121 0.0458 149 LYS B O 2748 C CB . LYS B 151 ? 0.5467 0.4284 0.6625 -0.1487 -0.0068 0.0301 149 LYS B CB 2749 C CG . LYS B 151 ? 0.8057 0.6472 0.8991 -0.1440 -0.0061 0.0196 149 LYS B CG 2750 C CD . LYS B 151 ? 0.9274 0.7334 1.0107 -0.1323 0.0065 0.0274 149 LYS B CD 2751 N N . VAL B 152 ? 0.5790 0.5516 0.7443 -0.1845 -0.0222 0.0350 150 VAL B N 2752 C CA . VAL B 152 ? 0.4860 0.4986 0.6784 -0.1949 -0.0213 0.0456 150 VAL B CA 2753 C C . VAL B 152 ? 0.5412 0.5330 0.7348 -0.2193 -0.0156 0.0473 150 VAL B C 2754 O O . VAL B 152 ? 0.6287 0.6045 0.8146 -0.2409 -0.0221 0.0372 150 VAL B O 2755 C CB . VAL B 152 ? 0.4731 0.5304 0.6835 -0.2019 -0.0347 0.0441 150 VAL B CB 2756 C CG1 . VAL B 152 ? 0.4689 0.5703 0.7110 -0.2122 -0.0323 0.0570 150 VAL B CG1 2757 C CG2 . VAL B 152 ? 0.4438 0.5164 0.6518 -0.1775 -0.0391 0.0428 150 VAL B CG2 2758 N N . ASP B 153 ? 0.5712 0.5616 0.7723 -0.2170 -0.0030 0.0598 151 ASP B N 2759 C CA . ASP B 153 ? 0.6055 0.5690 0.8056 -0.2377 0.0054 0.0635 151 ASP B CA 2760 C C . ASP B 153 ? 0.5893 0.4953 0.7623 -0.2429 0.0072 0.0522 151 ASP B C 2761 O O . ASP B 153 ? 0.7405 0.6235 0.9092 -0.2679 0.0074 0.0459 151 ASP B O 2762 C CB . ASP B 153 ? 0.6870 0.6820 0.9103 -0.2662 -0.0002 0.0652 151 ASP B CB 2763 C CG . ASP B 153 ? 0.7679 0.8139 1.0206 -0.2621 0.0043 0.0806 151 ASP B CG 2764 O OD1 . ASP B 153 ? 0.8078 0.8575 1.0590 -0.2393 0.0140 0.0892 151 ASP B OD1 2765 O OD2 . ASP B 153 ? 0.8317 0.9146 1.1088 -0.2825 -0.0011 0.0843 151 ASP B OD2 2766 N N . ASN B 154 ? 0.5786 0.4617 0.7332 -0.2194 0.0093 0.0492 152 ASN B N 2767 C CA . ASN B 154 ? 0.7493 0.5791 0.8789 -0.2163 0.0138 0.0406 152 ASN B CA 2768 C C . ASN B 154 ? 0.7577 0.5760 0.8738 -0.2276 0.0035 0.0222 152 ASN B C 2769 O O . ASN B 154 ? 0.8242 0.5963 0.9186 -0.2269 0.0088 0.0132 152 ASN B O 2770 C CB . ASN B 154 ? 0.6540 0.4418 0.7780 -0.2291 0.0274 0.0463 152 ASN B CB 2771 C CG . ASN B 154 ? 0.7099 0.5036 0.8421 -0.2163 0.0386 0.0658 152 ASN B CG 2772 O OD1 . ASN B 154 ? 0.8045 0.6213 0.9388 -0.1942 0.0378 0.0730 152 ASN B OD1 2773 N ND2 . ASN B 154 ? 0.7458 0.5173 0.8809 -0.2315 0.0494 0.0744 152 ASN B ND2 2774 N N . ALA B 155 ? 0.7417 0.6010 0.8694 -0.2368 -0.0103 0.0171 153 ALA B N 2775 C CA . ALA B 155 ? 0.6914 0.5451 0.8050 -0.2493 -0.0217 0.0006 153 ALA B CA 2776 C C . ALA B 155 ? 0.5823 0.4486 0.6885 -0.2254 -0.0284 -0.0033 153 ALA B C 2777 O O . ALA B 155 ? 0.7131 0.6219 0.8364 -0.2121 -0.0340 0.0045 153 ALA B O 2778 C CB . ALA B 155 ? 0.6168 0.5115 0.7482 -0.2756 -0.0342 -0.0005 153 ALA B CB 2779 N N . LEU B 156 ? 0.7781 0.6061 0.8587 -0.2201 -0.0266 -0.0153 154 LEU B N 2780 C CA . LEU B 156 ? 0.7832 0.6208 0.8557 -0.1991 -0.0324 -0.0191 154 LEU B CA 2781 C C . LEU B 156 ? 0.8045 0.6823 0.8833 -0.2088 -0.0489 -0.0241 154 LEU B C 2782 O O . LEU B 156 ? 0.8089 0.6848 0.8805 -0.2335 -0.0562 -0.0336 154 LEU B O 2783 C CB . LEU B 156 ? 0.8377 0.6259 0.8824 -0.1926 -0.0253 -0.0303 154 LEU B CB 2784 C CG . LEU B 156 ? 1.0360 0.8313 1.0701 -0.1742 -0.0309 -0.0356 154 LEU B CG 2785 C CD1 . LEU B 156 ? 1.1307 0.9511 1.1790 -0.1485 -0.0299 -0.0228 154 LEU B CD1 2786 C CD2 . LEU B 156 ? 0.9862 0.7323 0.9934 -0.1697 -0.0219 -0.0468 154 LEU B CD2 2787 N N . GLN B 157 ? 0.7431 0.6568 0.8345 -0.1898 -0.0545 -0.0171 155 GLN B N 2788 C CA . GLN B 157 ? 0.7253 0.6813 0.8265 -0.1943 -0.0693 -0.0174 155 GLN B CA 2789 C C . GLN B 157 ? 0.7871 0.7300 0.8652 -0.1882 -0.0756 -0.0286 155 GLN B C 2790 O O . GLN B 157 ? 0.7880 0.6987 0.8487 -0.1725 -0.0678 -0.0329 155 GLN B O 2791 C CB . GLN B 157 ? 0.6393 0.6380 0.7659 -0.1759 -0.0698 -0.0035 155 GLN B CB 2792 C CG . GLN B 157 ? 0.6441 0.6624 0.7948 -0.1805 -0.0630 0.0086 155 GLN B CG 2793 C CD . GLN B 157 ? 0.5928 0.6326 0.7576 -0.2089 -0.0702 0.0093 155 GLN B CD 2794 O OE1 . GLN B 157 ? 0.5659 0.6469 0.7458 -0.2158 -0.0822 0.0123 155 GLN B OE1 2795 N NE2 . GLN B 157 ? 0.5232 0.5360 0.6836 -0.2262 -0.0628 0.0077 155 GLN B NE2 2796 N N . SER B 158 ? 0.7655 0.7369 0.8446 -0.2008 -0.0899 -0.0316 156 SER B N 2797 C CA . SER B 158 ? 0.8252 0.7884 0.8814 -0.1975 -0.0969 -0.0414 156 SER B CA 2798 C C . SER B 158 ? 0.8002 0.8146 0.8707 -0.2003 -0.1129 -0.0349 156 SER B C 2799 O O . SER B 158 ? 0.7727 0.8182 0.8581 -0.2207 -0.1225 -0.0312 156 SER B O 2800 C CB . SER B 158 ? 1.0220 0.9441 1.0474 -0.2190 -0.0959 -0.0585 156 SER B CB 2801 O OG . SER B 158 ? 1.2383 1.1099 1.2492 -0.2107 -0.0794 -0.0634 156 SER B OG 2802 N N . GLY B 159 ? 0.5959 0.6200 0.6629 -0.1799 -0.1156 -0.0321 157 GLY B N 2803 C CA . GLY B 159 ? 0.5112 0.5795 0.5884 -0.1797 -0.1301 -0.0250 157 GLY B CA 2804 C C . GLY B 159 ? 0.5961 0.7115 0.7101 -0.1689 -0.1319 -0.0073 157 GLY B C 2805 O O . GLY B 159 ? 0.6787 0.8356 0.8061 -0.1694 -0.1439 0.0016 157 GLY B O 2806 N N . ASN B 160 ? 0.5624 0.6734 0.6930 -0.1585 -0.1194 -0.0010 158 ASN B N 2807 C CA . ASN B 160 ? 0.5171 0.6692 0.6813 -0.1468 -0.1175 0.0150 158 ASN B CA 2808 C C . ASN B 160 ? 0.4167 0.5542 0.5827 -0.1199 -0.1037 0.0189 158 ASN B C 2809 O O . ASN B 160 ? 0.5008 0.6564 0.6888 -0.1113 -0.0956 0.0289 158 ASN B O 2810 C CB . ASN B 160 ? 0.4138 0.5843 0.5995 -0.1650 -0.1160 0.0205 158 ASN B CB 2811 C CG . ASN B 160 ? 0.6221 0.7486 0.7923 -0.1748 -0.1053 0.0115 158 ASN B CG 2812 O OD1 . ASN B 160 ? 0.6785 0.7632 0.8253 -0.1644 -0.0977 0.0030 158 ASN B OD1 2813 N ND2 . ASN B 160 ? 0.5928 0.7297 0.7776 -0.1946 -0.1043 0.0148 158 ASN B ND2 2814 N N . SER B 161 ? 0.4079 0.5134 0.5503 -0.1074 -0.1004 0.0111 159 SER B N 2815 C CA . SER B 161 ? 0.4524 0.5465 0.5949 -0.0842 -0.0894 0.0144 159 SER B CA 2816 C C . SER B 161 ? 0.4983 0.5846 0.6263 -0.0704 -0.0926 0.0117 159 SER B C 2817 O O . SER B 161 ? 0.5687 0.6460 0.6794 -0.0783 -0.1007 0.0045 159 SER B O 2818 C CB . SER B 161 ? 0.4398 0.4976 0.5696 -0.0830 -0.0779 0.0092 159 SER B CB 2819 O OG . SER B 161 ? 0.5207 0.5469 0.6291 -0.0954 -0.0794 -0.0017 159 SER B OG 2820 N N . GLN B 162 ? 0.4969 0.5859 0.6308 -0.0506 -0.0854 0.0172 160 GLN B N 2821 C CA . GLN B 162 ? 0.4513 0.5304 0.5725 -0.0368 -0.0862 0.0157 160 GLN B CA 2822 C C . GLN B 162 ? 0.3570 0.4133 0.4709 -0.0226 -0.0745 0.0140 160 GLN B C 2823 O O . GLN B 162 ? 0.4452 0.5059 0.5698 -0.0180 -0.0660 0.0182 160 GLN B O 2824 C CB . GLN B 162 ? 0.4508 0.5617 0.5880 -0.0275 -0.0911 0.0263 160 GLN B CB 2825 C CG . GLN B 162 ? 0.5253 0.6636 0.6682 -0.0416 -0.1054 0.0295 160 GLN B CG 2826 C CD . GLN B 162 ? 0.5858 0.7579 0.7467 -0.0299 -0.1100 0.0433 160 GLN B CD 2827 O OE1 . GLN B 162 ? 0.7309 0.9277 0.9176 -0.0210 -0.1046 0.0546 160 GLN B OE1 2828 N NE2 . GLN B 162 ? 0.6288 0.8018 0.7763 -0.0285 -0.1187 0.0436 160 GLN B NE2 2829 N N . GLU B 163 ? 0.4656 0.4992 0.5604 -0.0169 -0.0742 0.0081 161 GLU B N 2830 C CA . GLU B 163 ? 0.4624 0.4751 0.5479 -0.0065 -0.0654 0.0059 161 GLU B CA 2831 C C . GLU B 163 ? 0.4361 0.4492 0.5185 0.0066 -0.0645 0.0080 161 GLU B C 2832 O O . GLU B 163 ? 0.4325 0.4521 0.5120 0.0074 -0.0712 0.0089 161 GLU B O 2833 C CB . GLU B 163 ? 0.5412 0.5264 0.6087 -0.0111 -0.0643 -0.0017 161 GLU B CB 2834 C CG . GLU B 163 ? 0.8785 0.8520 0.9466 -0.0176 -0.0588 -0.0021 161 GLU B CG 2835 C CD . GLU B 163 ? 1.0914 1.0373 1.1436 -0.0177 -0.0557 -0.0073 161 GLU B CD 2836 O OE1 . GLU B 163 ? 1.1192 1.0568 1.1607 -0.0117 -0.0568 -0.0105 161 GLU B OE1 2837 O OE2 . GLU B 163 ? 1.1761 1.1088 1.2274 -0.0231 -0.0511 -0.0070 161 GLU B OE2 2838 N N . SER B 164 ? 0.5374 0.5418 0.6181 0.0157 -0.0560 0.0087 162 SER B N 2839 C CA . SER B 164 ? 0.4929 0.4913 0.5681 0.0266 -0.0532 0.0095 162 SER B CA 2840 C C . SER B 164 ? 0.4458 0.4246 0.5085 0.0289 -0.0468 0.0053 162 SER B C 2841 O O . SER B 164 ? 0.3821 0.3595 0.4460 0.0273 -0.0413 0.0053 162 SER B O 2842 C CB . SER B 164 ? 0.4229 0.4372 0.5131 0.0357 -0.0484 0.0166 162 SER B CB 2843 O OG . SER B 164 ? 0.5986 0.6031 0.6827 0.0457 -0.0447 0.0175 162 SER B OG 2844 N N . VAL B 165 ? 0.3775 0.3436 0.4285 0.0318 -0.0478 0.0026 163 VAL B N 2845 C CA . VAL B 165 ? 0.3879 0.3395 0.4278 0.0324 -0.0437 -0.0003 163 VAL B CA 2846 C C . VAL B 165 ? 0.3481 0.2936 0.3834 0.0388 -0.0394 -0.0002 163 VAL B C 2847 O O . VAL B 165 ? 0.4819 0.4284 0.5182 0.0432 -0.0412 0.0018 163 VAL B O 2848 C CB . VAL B 165 ? 0.4966 0.4385 0.5277 0.0291 -0.0472 -0.0029 163 VAL B CB 2849 C CG1 . VAL B 165 ? 0.4483 0.3823 0.4726 0.0289 -0.0439 -0.0031 163 VAL B CG1 2850 C CG2 . VAL B 165 ? 0.5443 0.4872 0.5781 0.0226 -0.0503 -0.0039 163 VAL B CG2 2851 N N . THR B 166 ? 0.3402 0.2785 0.3692 0.0384 -0.0335 -0.0023 164 THR B N 2852 C CA . THR B 166 ? 0.4276 0.3547 0.4485 0.0415 -0.0286 -0.0041 164 THR B CA 2853 C C . THR B 166 ? 0.4671 0.3868 0.4798 0.0389 -0.0326 -0.0052 164 THR B C 2854 O O . THR B 166 ? 0.5137 0.4360 0.5256 0.0354 -0.0373 -0.0050 164 THR B O 2855 C CB . THR B 166 ? 0.4338 0.3539 0.4457 0.0385 -0.0214 -0.0077 164 THR B CB 2856 O OG1 . THR B 166 ? 0.5585 0.4795 0.5634 0.0312 -0.0253 -0.0084 164 THR B OG1 2857 C CG2 . THR B 166 ? 0.3999 0.3273 0.4192 0.0413 -0.0151 -0.0065 164 THR B CG2 2858 N N . GLU B 167 ? 0.6464 0.5558 0.6533 0.0411 -0.0293 -0.0059 165 GLU B N 2859 C CA . GLU B 167 ? 0.6053 0.5086 0.6045 0.0370 -0.0315 -0.0068 165 GLU B CA 2860 C C . GLU B 167 ? 0.6456 0.5478 0.6372 0.0290 -0.0308 -0.0096 165 GLU B C 2861 O O . GLU B 167 ? 0.6480 0.5499 0.6363 0.0268 -0.0273 -0.0119 165 GLU B O 2862 C CB . GLU B 167 ? 0.4329 0.3242 0.4279 0.0400 -0.0275 -0.0060 165 GLU B CB 2863 C CG . GLU B 167 ? 0.6802 0.5756 0.6813 0.0475 -0.0300 -0.0005 165 GLU B CG 2864 C CD . GLU B 167 ? 1.0931 0.9939 1.0923 0.0456 -0.0363 0.0010 165 GLU B CD 2865 O OE1 . GLU B 167 ? 1.1594 1.0688 1.1610 0.0435 -0.0408 -0.0001 165 GLU B OE1 2866 O OE2 . GLU B 167 ? 1.2393 1.1338 1.2335 0.0462 -0.0354 0.0034 165 GLU B OE2 2867 N N . GLN B 168 ? 0.5975 0.5014 0.5862 0.0244 -0.0341 -0.0084 166 GLN B N 2868 C CA . GLN B 168 ? 0.5267 0.4352 0.5099 0.0161 -0.0355 -0.0087 166 GLN B CA 2869 C C . GLN B 168 ? 0.4793 0.3769 0.4501 0.0096 -0.0306 -0.0143 166 GLN B C 2870 O O . GLN B 168 ? 0.5264 0.4104 0.4918 0.0089 -0.0264 -0.0172 166 GLN B O 2871 C CB . GLN B 168 ? 0.5687 0.4838 0.5540 0.0130 -0.0392 -0.0048 166 GLN B CB 2872 C CG . GLN B 168 ? 0.4978 0.4260 0.4827 0.0060 -0.0429 -0.0011 166 GLN B CG 2873 C CD . GLN B 168 ? 0.5100 0.4499 0.5031 0.0063 -0.0457 0.0055 166 GLN B CD 2874 O OE1 . GLN B 168 ? 0.6829 0.6191 0.6769 0.0068 -0.0443 0.0055 166 GLN B OE1 2875 N NE2 . GLN B 168 ? 0.4704 0.4250 0.4703 0.0068 -0.0485 0.0126 166 GLN B NE2 2876 N N . ASP B 169 ? 0.4101 0.3116 0.3744 0.0045 -0.0300 -0.0160 167 ASP B N 2877 C CA . ASP B 169 ? 0.5320 0.4211 0.4800 -0.0031 -0.0241 -0.0232 167 ASP B CA 2878 C C . ASP B 169 ? 0.5541 0.4384 0.4919 -0.0149 -0.0261 -0.0258 167 ASP B C 2879 O O . ASP B 169 ? 0.7087 0.6093 0.6498 -0.0213 -0.0339 -0.0206 167 ASP B O 2880 C CB . ASP B 169 ? 0.4582 0.3559 0.3992 -0.0078 -0.0243 -0.0234 167 ASP B CB 2881 C CG . ASP B 169 ? 0.7582 0.6404 0.6796 -0.0140 -0.0155 -0.0324 167 ASP B CG 2882 O OD1 . ASP B 169 ? 0.9651 0.8422 0.8871 -0.0070 -0.0075 -0.0344 167 ASP B OD1 2883 O OD2 . ASP B 169 ? 0.8979 0.7731 0.8029 -0.0267 -0.0159 -0.0378 167 ASP B OD2 2884 N N . SER B 170 ? 0.6441 0.5063 0.5708 -0.0176 -0.0183 -0.0328 168 SER B N 2885 C CA . SER B 170 ? 0.6531 0.5079 0.5688 -0.0316 -0.0193 -0.0362 168 SER B CA 2886 C C . SER B 170 ? 0.6328 0.4973 0.5336 -0.0482 -0.0242 -0.0394 168 SER B C 2887 O O . SER B 170 ? 0.6458 0.5203 0.5445 -0.0612 -0.0309 -0.0375 168 SER B O 2888 C CB . SER B 170 ? 0.6095 0.4328 0.5139 -0.0314 -0.0077 -0.0438 168 SER B CB 2889 O OG . SER B 170 ? 0.7937 0.6011 0.6827 -0.0324 0.0017 -0.0524 168 SER B OG 2890 N N . LYS B 171 ? 0.5860 0.4503 0.4765 -0.0488 -0.0213 -0.0431 169 LYS B N 2891 C CA . LYS B 171 ? 0.5677 0.4410 0.4396 -0.0657 -0.0259 -0.0461 169 LYS B CA 2892 C C . LYS B 171 ? 0.7543 0.6619 0.6392 -0.0670 -0.0388 -0.0335 169 LYS B C 2893 O O . LYS B 171 ? 0.8015 0.7259 0.6851 -0.0800 -0.0477 -0.0295 169 LYS B O 2894 C CB . LYS B 171 ? 0.7673 0.6264 0.6207 -0.0657 -0.0163 -0.0546 169 LYS B CB 2895 C CG . LYS B 171 ? 0.8270 0.6919 0.6546 -0.0851 -0.0199 -0.0596 169 LYS B CG 2896 N N . ASP B 172 ? 0.6912 0.6102 0.5900 -0.0537 -0.0396 -0.0262 170 ASP B N 2897 C CA . ASP B 172 ? 0.5692 0.5166 0.4785 -0.0536 -0.0493 -0.0135 170 ASP B CA 2898 C C . ASP B 172 ? 0.4766 0.4340 0.4115 -0.0395 -0.0521 -0.0036 170 ASP B C 2899 O O . ASP B 172 ? 0.5160 0.4933 0.4620 -0.0362 -0.0578 0.0078 170 ASP B O 2900 C CB . ASP B 172 ? 0.5940 0.5464 0.4946 -0.0531 -0.0478 -0.0119 170 ASP B CB 2901 C CG . ASP B 172 ? 0.7802 0.7198 0.6887 -0.0387 -0.0390 -0.0142 170 ASP B CG 2902 O OD1 . ASP B 172 ? 0.7441 0.6765 0.6681 -0.0280 -0.0368 -0.0142 170 ASP B OD1 2903 O OD2 . ASP B 172 ? 0.8519 0.7912 0.7512 -0.0390 -0.0347 -0.0151 170 ASP B OD2 2904 N N . SER B 173 ? 0.3636 0.3063 0.3066 -0.0309 -0.0475 -0.0073 171 SER B N 2905 C CA . SER B 173 ? 0.4546 0.4031 0.4168 -0.0197 -0.0491 -0.0005 171 SER B CA 2906 C C . SER B 173 ? 0.4523 0.4044 0.4251 -0.0085 -0.0484 0.0045 171 SER B C 2907 O O . SER B 173 ? 0.4311 0.3893 0.4171 -0.0011 -0.0500 0.0109 171 SER B O 2908 C CB . SER B 173 ? 0.4301 0.3981 0.4010 -0.0242 -0.0556 0.0083 171 SER B CB 2909 O OG . SER B 173 ? 0.6193 0.5823 0.5840 -0.0341 -0.0556 0.0039 171 SER B OG 2910 N N . THR B 174 ? 0.4133 0.3601 0.3801 -0.0076 -0.0449 0.0014 172 THR B N 2911 C CA . THR B 174 ? 0.3255 0.2741 0.3022 0.0007 -0.0437 0.0055 172 THR B CA 2912 C C . THR B 174 ? 0.3201 0.2567 0.3025 0.0083 -0.0393 0.0002 172 THR B C 2913 O O . THR B 174 ? 0.3706 0.2972 0.3492 0.0088 -0.0363 -0.0057 172 THR B O 2914 C CB . THR B 174 ? 0.4924 0.4457 0.4612 -0.0031 -0.0422 0.0073 172 THR B CB 2915 O OG1 . THR B 174 ? 0.5348 0.4768 0.4911 -0.0061 -0.0358 -0.0020 172 THR B OG1 2916 C CG2 . THR B 174 ? 0.3762 0.3455 0.3386 -0.0113 -0.0482 0.0147 172 THR B CG2 2917 N N . TYR B 175 ? 0.3444 0.2828 0.3365 0.0136 -0.0390 0.0033 173 TYR B N 2918 C CA . TYR B 175 ? 0.3243 0.2571 0.3230 0.0189 -0.0366 0.0000 173 TYR B CA 2919 C C . TYR B 175 ? 0.3896 0.3255 0.3903 0.0185 -0.0329 0.0007 173 TYR B C 2920 O O . TYR B 175 ? 0.4230 0.3638 0.4209 0.0152 -0.0327 0.0049 173 TYR B O 2921 C CB . TYR B 175 ? 0.3390 0.2711 0.3466 0.0230 -0.0395 0.0019 173 TYR B CB 2922 C CG . TYR B 175 ? 0.3474 0.2774 0.3540 0.0245 -0.0416 0.0021 173 TYR B CG 2923 C CD1 . TYR B 175 ? 0.2990 0.2239 0.3046 0.0271 -0.0416 -0.0014 173 TYR B CD1 2924 C CD2 . TYR B 175 ? 0.3354 0.2703 0.3433 0.0241 -0.0430 0.0073 173 TYR B CD2 2925 C CE1 . TYR B 175 ? 0.4321 0.3555 0.4362 0.0281 -0.0425 -0.0005 173 TYR B CE1 2926 C CE2 . TYR B 175 ? 0.3523 0.2874 0.3610 0.0258 -0.0436 0.0083 173 TYR B CE2 2927 C CZ . TYR B 175 ? 0.4075 0.3363 0.4135 0.0272 -0.0432 0.0039 173 TYR B CZ 2928 O OH . TYR B 175 ? 0.6749 0.6044 0.6812 0.0285 -0.0428 0.0056 173 TYR B OH 2929 N N . SER B 176 ? 0.3908 0.3258 0.3977 0.0222 -0.0299 -0.0019 174 SER B N 2930 C CA . SER B 176 ? 0.3697 0.3107 0.3831 0.0222 -0.0262 -0.0001 174 SER B CA 2931 C C . SER B 176 ? 0.3185 0.2642 0.3454 0.0246 -0.0290 0.0008 174 SER B C 2932 O O . SER B 176 ? 0.4083 0.3521 0.4372 0.0277 -0.0322 -0.0008 174 SER B O 2933 C CB . SER B 176 ? 0.3628 0.3024 0.3708 0.0236 -0.0179 -0.0033 174 SER B CB 2934 O OG . SER B 176 ? 0.5064 0.4429 0.4988 0.0180 -0.0156 -0.0046 174 SER B OG 2935 N N . LEU B 177 ? 0.3633 0.3157 0.3985 0.0217 -0.0282 0.0039 175 LEU B N 2936 C CA . LEU B 177 ? 0.4128 0.3714 0.4598 0.0204 -0.0322 0.0046 175 LEU B CA 2937 C C . LEU B 177 ? 0.3536 0.3250 0.4123 0.0184 -0.0281 0.0079 175 LEU B C 2938 O O . LEU B 177 ? 0.4279 0.4001 0.4847 0.0159 -0.0230 0.0104 175 LEU B O 2939 C CB . LEU B 177 ? 0.5542 0.5048 0.5993 0.0157 -0.0367 0.0046 175 LEU B CB 2940 C CG . LEU B 177 ? 0.5299 0.4830 0.5817 0.0106 -0.0415 0.0030 175 LEU B CG 2941 C CD1 . LEU B 177 ? 0.4010 0.3392 0.4441 0.0092 -0.0442 -0.0001 175 LEU B CD1 2942 C CD2 . LEU B 177 ? 0.4642 0.4236 0.5255 0.0031 -0.0398 0.0060 175 LEU B CD2 2943 N N A SER B 178 ? 0.3708 0.3548 0.4422 0.0193 -0.0305 0.0092 176 SER B N 2944 N N B SER B 178 ? 0.3683 0.3525 0.4398 0.0195 -0.0303 0.0092 176 SER B N 2945 C CA A SER B 178 ? 0.3712 0.3730 0.4586 0.0171 -0.0273 0.0139 176 SER B CA 2946 C CA B SER B 178 ? 0.3697 0.3716 0.4571 0.0172 -0.0270 0.0140 176 SER B CA 2947 C C A SER B 178 ? 0.4407 0.4526 0.5384 0.0090 -0.0359 0.0149 176 SER B C 2948 C C B SER B 178 ? 0.4394 0.4520 0.5376 0.0093 -0.0356 0.0152 176 SER B C 2949 O O A SER B 178 ? 0.4715 0.4861 0.5691 0.0103 -0.0429 0.0137 176 SER B O 2950 O O B SER B 178 ? 0.4707 0.4873 0.5698 0.0110 -0.0423 0.0143 176 SER B O 2951 C CB A SER B 178 ? 0.3340 0.3468 0.4299 0.0270 -0.0209 0.0165 176 SER B CB 2952 C CB B SER B 178 ? 0.3375 0.3501 0.4331 0.0271 -0.0198 0.0166 176 SER B CB 2953 O OG A SER B 178 ? 0.2995 0.3169 0.3997 0.0314 -0.0272 0.0173 176 SER B OG 2954 O OG B SER B 178 ? 0.3293 0.3646 0.4452 0.0260 -0.0173 0.0230 176 SER B OG 2955 N N . SER B 179 ? 0.3786 0.3952 0.4832 -0.0007 -0.0355 0.0172 177 SER B N 2956 C CA . SER B 179 ? 0.4252 0.4526 0.5395 -0.0120 -0.0432 0.0176 177 SER B CA 2957 C C . SER B 179 ? 0.4340 0.4885 0.5701 -0.0154 -0.0404 0.0250 177 SER B C 2958 O O . SER B 179 ? 0.4250 0.4819 0.5653 -0.0143 -0.0313 0.0288 177 SER B O 2959 C CB . SER B 179 ? 0.3483 0.3557 0.4528 -0.0233 -0.0447 0.0138 177 SER B CB 2960 O OG . SER B 179 ? 0.4550 0.4701 0.5652 -0.0366 -0.0524 0.0120 177 SER B OG 2961 N N . THR B 180 ? 0.4694 0.5467 0.6195 -0.0200 -0.0484 0.0281 178 THR B N 2962 C CA . THR B 180 ? 0.4909 0.6008 0.6664 -0.0229 -0.0466 0.0372 178 THR B CA 2963 C C . THR B 180 ? 0.4529 0.5752 0.6362 -0.0426 -0.0568 0.0372 178 THR B C 2964 O O . THR B 180 ? 0.4724 0.5964 0.6497 -0.0491 -0.0683 0.0336 178 THR B O 2965 C CB . THR B 180 ? 0.5436 0.6767 0.7337 -0.0087 -0.0461 0.0444 178 THR B CB 2966 O OG1 . THR B 180 ? 0.6577 0.7738 0.8376 0.0074 -0.0348 0.0427 178 THR B OG1 2967 C CG2 . THR B 180 ? 0.5661 0.7372 0.7862 -0.0102 -0.0435 0.0560 178 THR B CG2 2968 N N . LEU B 181 ? 0.4235 0.5531 0.6178 -0.0536 -0.0523 0.0408 179 LEU B N 2969 C CA . LEU B 181 ? 0.3825 0.5264 0.5869 -0.0751 -0.0608 0.0415 179 LEU B CA 2970 C C . LEU B 181 ? 0.3325 0.5241 0.5689 -0.0755 -0.0627 0.0539 179 LEU B C 2971 O O . LEU B 181 ? 0.4084 0.6153 0.6612 -0.0668 -0.0512 0.0623 179 LEU B O 2972 C CB . LEU B 181 ? 0.3504 0.4737 0.5495 -0.0877 -0.0540 0.0396 179 LEU B CB 2973 C CG . LEU B 181 ? 0.4561 0.5913 0.6663 -0.1126 -0.0599 0.0406 179 LEU B CG 2974 C CD1 . LEU B 181 ? 0.4003 0.5110 0.5893 -0.1279 -0.0702 0.0285 179 LEU B CD1 2975 C CD2 . LEU B 181 ? 0.4046 0.5293 0.6186 -0.1199 -0.0486 0.0447 179 LEU B CD2 2976 N N . THR B 182 ? 0.4999 0.7164 0.7449 -0.0851 -0.0767 0.0560 180 THR B N 2977 C CA . THR B 182 ? 0.4734 0.7411 0.7516 -0.0840 -0.0804 0.0704 180 THR B CA 2978 C C . THR B 182 ? 0.5095 0.8018 0.8027 -0.1112 -0.0895 0.0731 180 THR B C 2979 O O . THR B 182 ? 0.6312 0.9140 0.9087 -0.1307 -0.1025 0.0644 180 THR B O 2980 C CB . THR B 182 ? 0.5630 0.8484 0.8428 -0.0733 -0.0904 0.0746 180 THR B CB 2981 O OG1 . THR B 182 ? 0.6657 0.9318 0.9366 -0.0480 -0.0797 0.0742 180 THR B OG1 2982 C CG2 . THR B 182 ? 0.4080 0.7511 0.7246 -0.0743 -0.0966 0.0918 180 THR B CG2 2983 N N . LEU B 183 ? 0.4038 0.7271 0.7262 -0.1135 -0.0820 0.0848 181 LEU B N 2984 C CA . LEU B 183 ? 0.4265 0.7792 0.7686 -0.1400 -0.0896 0.0898 181 LEU B CA 2985 C C . LEU B 183 ? 0.4761 0.8904 0.8610 -0.1340 -0.0893 0.1094 181 LEU B C 2986 O O . LEU B 183 ? 0.4440 0.8692 0.8432 -0.1087 -0.0759 0.1184 181 LEU B O 2987 C CB . LEU B 183 ? 0.3662 0.6944 0.7035 -0.1526 -0.0783 0.0861 181 LEU B CB 2988 C CG . LEU B 183 ? 0.5974 0.8645 0.8971 -0.1513 -0.0725 0.0710 181 LEU B CG 2989 C CD1 . LEU B 183 ? 0.7083 0.9582 1.0088 -0.1569 -0.0584 0.0731 181 LEU B CD1 2990 C CD2 . LEU B 183 ? 0.6307 0.8733 0.9062 -0.1717 -0.0862 0.0575 181 LEU B CD2 2991 N N . SER B 184 ? 0.4067 0.8615 0.8121 -0.1577 -0.1035 0.1161 182 SER B N 2992 C CA . SER B 184 ? 0.3992 0.9170 0.8505 -0.1543 -0.1020 0.1370 182 SER B CA 2993 C C . SER B 184 ? 0.4613 0.9794 0.9285 -0.1530 -0.0827 0.1423 182 SER B C 2994 O O . SER B 184 ? 0.3904 0.8657 0.8346 -0.1634 -0.0756 0.1307 182 SER B O 2995 C CB . SER B 184 ? 0.4923 1.0567 0.9622 -0.1838 -0.1231 0.1434 182 SER B CB 2996 O OG . SER B 184 ? 0.4860 1.0371 0.9494 -0.2160 -0.1256 0.1352 182 SER B OG 2997 N N . LYS B 185 ? 0.3378 0.9043 0.8445 -0.1385 -0.0729 0.1612 183 LYS B N 2998 C CA . LYS B 185 ? 0.4305 1.0002 0.9523 -0.1365 -0.0531 0.1673 183 LYS B CA 2999 C C . LYS B 185 ? 0.5006 1.0729 1.0259 -0.1716 -0.0588 0.1651 183 LYS B C 3000 O O . LYS B 185 ? 0.4767 1.0177 0.9892 -0.1765 -0.0453 0.1600 183 LYS B O 3001 C CB . LYS B 185 ? 0.3509 0.9774 0.9179 -0.1167 -0.0413 0.1892 183 LYS B CB 3002 C CG . LYS B 185 ? 0.3745 0.9995 0.9522 -0.1095 -0.0169 0.1946 183 LYS B CG 3003 C CD . LYS B 185 ? 0.5760 1.2572 1.1994 -0.0888 -0.0028 0.2164 183 LYS B CD 3004 C CE . LYS B 185 ? 0.7021 1.3794 1.3321 -0.0813 0.0234 0.2207 183 LYS B CE 3005 N NZ . LYS B 185 ? 0.7446 1.4671 1.4132 -0.0555 0.0416 0.2397 183 LYS B NZ 3006 N N . ALA B 186 ? 0.5552 1.1634 1.0960 -0.1976 -0.0789 0.1689 184 ALA B N 3007 C CA . ALA B 186 ? 0.6136 1.2232 1.1574 -0.2343 -0.0846 0.1661 184 ALA B CA 3008 C C . ALA B 186 ? 0.6324 1.1688 1.1295 -0.2463 -0.0826 0.1447 184 ALA B C 3009 O O . ALA B 186 ? 0.5468 1.0600 1.0397 -0.2565 -0.0702 0.1432 184 ALA B O 3010 C CB . ALA B 186 ? 0.4892 1.1306 1.0380 -0.2555 -0.1061 0.1665 184 ALA B CB 3011 N N . ASP B 187 ? 0.6658 1.1651 1.1279 -0.2437 -0.0934 0.1293 185 ASP B N 3012 C CA . ASP B 187 ? 0.6999 1.1301 1.1193 -0.2521 -0.0902 0.1101 185 ASP B CA 3013 C C . ASP B 187 ? 0.5406 0.9347 0.9483 -0.2299 -0.0686 0.1097 185 ASP B C 3014 O O . ASP B 187 ? 0.5581 0.9111 0.9473 -0.2413 -0.0607 0.1028 185 ASP B O 3015 C CB . ASP B 187 ? 0.8729 1.2735 1.2591 -0.2479 -0.1029 0.0954 185 ASP B CB 3016 C CG . ASP B 187 ? 1.1001 1.5229 1.4854 -0.2774 -0.1247 0.0913 185 ASP B CG 3017 O OD1 . ASP B 187 ? 1.2394 1.6754 1.6356 -0.3086 -0.1293 0.0922 185 ASP B OD1 3018 O OD2 . ASP B 187 ? 1.0904 1.5176 1.4629 -0.2708 -0.1373 0.0872 185 ASP B OD2 3019 N N . TYR B 188 ? 0.4126 0.8214 0.8304 -0.1988 -0.0584 0.1176 186 TYR B N 3020 C CA . TYR B 188 ? 0.4243 0.7994 0.8268 -0.1786 -0.0391 0.1162 186 TYR B CA 3021 C C . TYR B 188 ? 0.5024 0.8892 0.9229 -0.1883 -0.0247 0.1263 186 TYR B C 3022 O O . TYR B 188 ? 0.5311 0.8787 0.9306 -0.1872 -0.0130 0.1223 186 TYR B O 3023 C CB . TYR B 188 ? 0.4175 0.8038 0.8243 -0.1455 -0.0310 0.1208 186 TYR B CB 3024 C CG . TYR B 188 ? 0.4827 0.8421 0.8754 -0.1264 -0.0108 0.1204 186 TYR B CG 3025 C CD1 . TYR B 188 ? 0.4698 0.7761 0.8248 -0.1204 -0.0082 0.1077 186 TYR B CD1 3026 C CD2 . TYR B 188 ? 0.3527 0.7417 0.7693 -0.1148 0.0059 0.1333 186 TYR B CD2 3027 C CE1 . TYR B 188 ? 0.3584 0.6435 0.6990 -0.1052 0.0086 0.1080 186 TYR B CE1 3028 C CE2 . TYR B 188 ? 0.3537 0.7182 0.7534 -0.0993 0.0242 0.1320 186 TYR B CE2 3029 C CZ . TYR B 188 ? 0.5152 0.8286 0.8763 -0.0955 0.0245 0.1194 186 TYR B CZ 3030 O OH . TYR B 188 ? 0.5316 0.8241 0.8747 -0.0822 0.0411 0.1189 186 TYR B OH 3031 N N . GLU B 189 ? 0.4570 0.8990 0.9168 -0.1981 -0.0254 0.1410 187 GLU B N 3032 C CA . GLU B 189 ? 0.5556 1.0138 1.0355 -0.2069 -0.0105 0.1524 187 GLU B CA 3033 C C . GLU B 189 ? 0.5987 1.0384 1.0729 -0.2416 -0.0154 0.1485 187 GLU B C 3034 O O . GLU B 189 ? 0.7144 1.1632 1.2031 -0.2514 -0.0028 0.1582 187 GLU B O 3035 C CB . GLU B 189 ? 0.5540 1.0823 1.0822 -0.2026 -0.0072 0.1716 187 GLU B CB 3036 C CG . GLU B 189 ? 0.6578 1.2039 1.1955 -0.1666 0.0034 0.1780 187 GLU B CG 3037 C CD . GLU B 189 ? 0.9117 1.4310 1.4340 -0.1452 0.0276 0.1778 187 GLU B CD 3038 O OE1 . GLU B 189 ? 1.0289 1.5255 1.5397 -0.1580 0.0366 0.1767 187 GLU B OE1 3039 O OE2 . GLU B 189 ? 0.9549 1.4748 1.4753 -0.1163 0.0380 0.1789 187 GLU B OE2 3040 N N . LYS B 190 ? 0.5940 1.0060 1.0462 -0.2608 -0.0319 0.1347 188 LYS B N 3041 C CA . LYS B 190 ? 0.7011 1.0882 1.1443 -0.2946 -0.0351 0.1291 188 LYS B CA 3042 C C . LYS B 190 ? 0.7344 1.0484 1.1347 -0.2924 -0.0290 0.1149 188 LYS B C 3043 O O . LYS B 190 ? 0.8192 1.1003 1.2040 -0.3184 -0.0328 0.1063 188 LYS B O 3044 C CB . LYS B 190 ? 0.7642 1.1747 1.2148 -0.3236 -0.0569 0.1241 188 LYS B CB 3045 C CG . LYS B 190 ? 0.7940 1.1895 1.2203 -0.3157 -0.0725 0.1106 188 LYS B CG 3046 C CD . LYS B 190 ? 0.7463 1.1814 1.1856 -0.3435 -0.0947 0.1100 188 LYS B CD 3047 N N . HIS B 191 ? 0.6830 0.9713 1.0642 -0.2622 -0.0189 0.1129 189 HIS B N 3048 C CA . HIS B 191 ? 0.6193 0.8450 0.9643 -0.2565 -0.0116 0.1036 189 HIS B CA 3049 C C . HIS B 191 ? 0.6333 0.8534 0.9739 -0.2304 0.0055 0.1117 189 HIS B C 3050 O O . HIS B 191 ? 0.6758 0.9322 1.0337 -0.2122 0.0104 0.1195 189 HIS B O 3051 C CB . HIS B 191 ? 0.5019 0.6947 0.8178 -0.2490 -0.0229 0.0876 189 HIS B CB 3052 C CG . HIS B 191 ? 0.7488 0.9377 1.0599 -0.2762 -0.0385 0.0770 189 HIS B CG 3053 N ND1 . HIS B 191 ? 0.8855 1.1058 1.2035 -0.2776 -0.0547 0.0734 189 HIS B ND1 3054 C CD2 . HIS B 191 ? 0.7914 0.9474 1.0894 -0.3041 -0.0400 0.0692 189 HIS B CD2 3055 C CE1 . HIS B 191 ? 0.8995 1.1081 1.2072 -0.3063 -0.0664 0.0630 189 HIS B CE1 3056 N NE2 . HIS B 191 ? 0.8679 1.0356 1.1628 -0.3231 -0.0571 0.0594 189 HIS B NE2 3057 N N . LYS B 192 ? 0.4809 0.6543 0.7967 -0.2285 0.0149 0.1100 190 LYS B N 3058 C CA . LYS B 192 ? 0.5119 0.6798 0.8217 -0.2105 0.0314 0.1194 190 LYS B CA 3059 C C . LYS B 192 ? 0.5372 0.6721 0.8167 -0.1863 0.0329 0.1126 190 LYS B C 3060 O O . LYS B 192 ? 0.6150 0.7644 0.8931 -0.1654 0.0398 0.1159 190 LYS B O 3061 C CB . LYS B 192 ? 0.6359 0.7827 0.9440 -0.2277 0.0424 0.1281 190 LYS B CB 3062 C CG . LYS B 192 ? 0.8157 0.9618 1.1180 -0.2127 0.0596 0.1401 190 LYS B CG 3063 C CD . LYS B 192 ? 0.8681 1.0666 1.1980 -0.2063 0.0679 0.1506 190 LYS B CD 3064 C CE . LYS B 192 ? 0.9110 1.1067 1.2307 -0.1935 0.0863 0.1616 190 LYS B CE 3065 N NZ . LYS B 192 ? 0.8359 1.0804 1.1811 -0.1857 0.0974 0.1711 190 LYS B NZ 3066 N N . VAL B 193 ? 0.5852 0.6762 0.8404 -0.1887 0.0276 0.1032 191 VAL B N 3067 C CA . VAL B 193 ? 0.5800 0.6408 0.8082 -0.1675 0.0296 0.0990 191 VAL B CA 3068 C C . VAL B 193 ? 0.5540 0.6109 0.7735 -0.1592 0.0166 0.0857 191 VAL B C 3069 O O . VAL B 193 ? 0.5684 0.6117 0.7846 -0.1732 0.0071 0.0767 191 VAL B O 3070 C CB . VAL B 193 ? 0.4955 0.5098 0.7036 -0.1720 0.0357 0.1012 191 VAL B CB 3071 C CG1 . VAL B 193 ? 0.4863 0.4772 0.6703 -0.1498 0.0364 0.0989 191 VAL B CG1 3072 C CG2 . VAL B 193 ? 0.5752 0.5922 0.7910 -0.1805 0.0490 0.1161 191 VAL B CG2 3073 N N . TYR B 194 ? 0.4403 0.5067 0.6535 -0.1375 0.0169 0.0842 192 TYR B N 3074 C CA . TYR B 194 ? 0.5048 0.5661 0.7080 -0.1271 0.0063 0.0731 192 TYR B CA 3075 C C . TYR B 194 ? 0.4616 0.4927 0.6395 -0.1106 0.0096 0.0707 192 TYR B C 3076 O O . TYR B 194 ? 0.5893 0.6233 0.7619 -0.0997 0.0187 0.0775 192 TYR B O 3077 C CB . TYR B 194 ? 0.3967 0.4971 0.6169 -0.1165 0.0037 0.0741 192 TYR B CB 3078 C CG . TYR B 194 ? 0.4344 0.5702 0.6822 -0.1326 -0.0024 0.0778 192 TYR B CG 3079 C CD1 . TYR B 194 ? 0.5437 0.7021 0.8125 -0.1443 0.0054 0.0886 192 TYR B CD1 3080 C CD2 . TYR B 194 ? 0.5281 0.6768 0.7810 -0.1374 -0.0165 0.0715 192 TYR B CD2 3081 C CE1 . TYR B 194 ? 0.6618 0.8571 0.9585 -0.1608 -0.0012 0.0933 192 TYR B CE1 3082 C CE2 . TYR B 194 ? 0.4433 0.6286 0.7218 -0.1537 -0.0239 0.0762 192 TYR B CE2 3083 C CZ . TYR B 194 ? 0.4950 0.7045 0.7963 -0.1656 -0.0166 0.0871 192 TYR B CZ 3084 O OH . TYR B 194 ? 0.4843 0.7347 0.8135 -0.1832 -0.0250 0.0930 192 TYR B OH 3085 N N . ALA B 195 ? 0.4950 0.4989 0.6572 -0.1096 0.0025 0.0615 193 ALA B N 3086 C CA . ALA B 195 ? 0.4949 0.4725 0.6361 -0.0951 0.0051 0.0608 193 ALA B CA 3087 C C . ALA B 195 ? 0.5659 0.5324 0.6962 -0.0882 -0.0041 0.0495 193 ALA B C 3088 O O . ALA B 195 ? 0.5799 0.5410 0.7112 -0.0991 -0.0112 0.0417 193 ALA B O 3089 C CB . ALA B 195 ? 0.4431 0.3882 0.5748 -0.1015 0.0117 0.0663 193 ALA B CB 3090 N N . CYS B 196 ? 0.5663 0.5299 0.6849 -0.0715 -0.0039 0.0487 194 CYS B N 3091 C CA A CYS B 196 ? 0.6297 0.5784 0.7358 -0.0640 -0.0105 0.0400 194 CYS B CA 3092 C CA B CYS B 196 ? 0.6322 0.5809 0.7383 -0.0640 -0.0105 0.0400 194 CYS B CA 3093 C C . CYS B 196 ? 0.6595 0.5820 0.7509 -0.0561 -0.0060 0.0438 194 CYS B C 3094 O O . CYS B 196 ? 0.5914 0.5179 0.6785 -0.0483 -0.0011 0.0519 194 CYS B O 3095 C CB A CYS B 196 ? 0.6513 0.6193 0.7578 -0.0520 -0.0147 0.0362 194 CYS B CB 3096 C CB B CYS B 196 ? 0.6689 0.6371 0.7755 -0.0519 -0.0147 0.0362 194 CYS B CB 3097 S SG A CYS B 196 ? 0.7933 0.7720 0.8940 -0.0383 -0.0074 0.0421 194 CYS B SG 3098 S SG B CYS B 196 ? 0.7602 0.7399 0.8615 -0.0383 -0.0074 0.0422 194 CYS B SG 3099 N N . GLU B 197 ? 0.6792 0.5756 0.7624 -0.0584 -0.0073 0.0386 195 GLU B N 3100 C CA . GLU B 197 ? 0.6399 0.5119 0.7123 -0.0494 -0.0024 0.0435 195 GLU B CA 3101 C C . GLU B 197 ? 0.6021 0.4725 0.6661 -0.0377 -0.0074 0.0371 195 GLU B C 3102 O O . GLU B 197 ? 0.5939 0.4606 0.6553 -0.0410 -0.0125 0.0264 195 GLU B O 3103 C CB . GLU B 197 ? 0.6765 0.5163 0.7457 -0.0587 0.0033 0.0430 195 GLU B CB 3104 C CG . GLU B 197 ? 1.0719 0.8873 1.1339 -0.0478 0.0112 0.0525 195 GLU B CG 3105 C CD . GLU B 197 ? 1.3952 1.1725 1.4499 -0.0520 0.0172 0.0468 195 GLU B CD 3106 O OE1 . GLU B 197 ? 1.4447 1.2150 1.4957 -0.0634 0.0133 0.0328 195 GLU B OE1 3107 O OE2 . GLU B 197 ? 1.5492 1.3030 1.6008 -0.0437 0.0263 0.0568 195 GLU B OE2 3108 N N . VAL B 198 ? 0.5605 0.4352 0.6197 -0.0254 -0.0062 0.0442 196 VAL B N 3109 C CA . VAL B 198 ? 0.4786 0.3579 0.5317 -0.0149 -0.0109 0.0400 196 VAL B CA 3110 C C . VAL B 198 ? 0.5904 0.4505 0.6384 -0.0063 -0.0069 0.0458 196 VAL B C 3111 O O . VAL B 198 ? 0.5270 0.3834 0.5756 -0.0027 -0.0019 0.0584 196 VAL B O 3112 C CB . VAL B 198 ? 0.5288 0.4313 0.5806 -0.0095 -0.0132 0.0431 196 VAL B CB 3113 C CG1 . VAL B 198 ? 0.5429 0.4482 0.5882 -0.0003 -0.0174 0.0402 196 VAL B CG1 3114 C CG2 . VAL B 198 ? 0.6522 0.5729 0.7109 -0.0151 -0.0149 0.0378 196 VAL B CG2 3115 N N . THR B 199 ? 0.6678 0.5175 0.7115 -0.0021 -0.0083 0.0382 197 THR B N 3116 C CA . THR B 199 ? 0.5961 0.4306 0.6372 0.0085 -0.0034 0.0439 197 THR B CA 3117 C C . THR B 199 ? 0.5163 0.3667 0.5555 0.0174 -0.0087 0.0427 197 THR B C 3118 O O . THR B 199 ? 0.6147 0.4715 0.6510 0.0151 -0.0140 0.0319 197 THR B O 3119 C CB . THR B 199 ? 0.7124 0.5163 0.7484 0.0057 0.0028 0.0360 197 THR B CB 3120 O OG1 . THR B 199 ? 0.8622 0.6495 0.8993 -0.0051 0.0078 0.0367 197 THR B OG1 3121 C CG2 . THR B 199 ? 0.7317 0.5196 0.7671 0.0194 0.0108 0.0435 197 THR B CG2 3122 N N . HIS B 200 ? 0.5282 0.3867 0.5698 0.0267 -0.0076 0.0549 198 HIS B N 3123 C CA . HIS B 200 ? 0.4990 0.3743 0.5398 0.0330 -0.0127 0.0551 198 HIS B CA 3124 C C . HIS B 200 ? 0.4487 0.3287 0.4950 0.0433 -0.0096 0.0708 198 HIS B C 3125 O O . HIS B 200 ? 0.5185 0.3995 0.5676 0.0445 -0.0069 0.0836 198 HIS B O 3126 C CB . HIS B 200 ? 0.5278 0.4257 0.5654 0.0279 -0.0200 0.0522 198 HIS B CB 3127 C CG . HIS B 200 ? 0.4156 0.3281 0.4510 0.0316 -0.0251 0.0511 198 HIS B CG 3128 N ND1 . HIS B 200 ? 0.3601 0.2881 0.3964 0.0351 -0.0274 0.0624 198 HIS B ND1 3129 C CD2 . HIS B 200 ? 0.3796 0.2942 0.4122 0.0311 -0.0285 0.0410 198 HIS B CD2 3130 C CE1 . HIS B 200 ? 0.3815 0.3198 0.4158 0.0354 -0.0318 0.0582 198 HIS B CE1 3131 N NE2 . HIS B 200 ? 0.3269 0.2558 0.3589 0.0337 -0.0319 0.0455 198 HIS B NE2 3132 N N . GLN B 201 ? 0.4832 0.3687 0.5320 0.0509 -0.0101 0.0716 199 GLN B N 3133 C CA . GLN B 201 ? 0.4985 0.3900 0.5565 0.0621 -0.0062 0.0886 199 GLN B CA 3134 C C . GLN B 201 ? 0.5225 0.4411 0.5823 0.0609 -0.0128 0.1029 199 GLN B C 3135 O O . GLN B 201 ? 0.6049 0.5308 0.6734 0.0695 -0.0101 0.1208 199 GLN B O 3136 C CB . GLN B 201 ? 0.4651 0.3619 0.5275 0.0699 -0.0052 0.0875 199 GLN B CB 3137 C CG . GLN B 201 ? 0.4974 0.4202 0.5577 0.0648 -0.0153 0.0842 199 GLN B CG 3138 C CD . GLN B 201 ? 0.6351 0.5639 0.7015 0.0721 -0.0132 0.0848 199 GLN B CD 3139 O OE1 . GLN B 201 ? 0.5682 0.4869 0.6284 0.0701 -0.0124 0.0714 199 GLN B OE1 3140 N NE2 . GLN B 201 ? 0.6415 0.5884 0.7209 0.0809 -0.0120 0.1019 199 GLN B NE2 3141 N N . GLY B 202 ? 0.5049 0.4384 0.5560 0.0507 -0.0209 0.0960 200 GLY B N 3142 C CA . GLY B 202 ? 0.4925 0.4493 0.5404 0.0474 -0.0266 0.1081 200 GLY B CA 3143 C C . GLY B 202 ? 0.5599 0.5113 0.6064 0.0461 -0.0227 0.1183 200 GLY B C 3144 O O . GLY B 202 ? 0.5726 0.5436 0.6140 0.0431 -0.0271 0.1295 200 GLY B O 3145 N N . LEU B 203 ? 0.6104 0.5359 0.6596 0.0468 -0.0145 0.1147 201 LEU B N 3146 C CA . LEU B 203 ? 0.6080 0.5252 0.6562 0.0440 -0.0095 0.1236 201 LEU B CA 3147 C C . LEU B 203 ? 0.7598 0.6583 0.8178 0.0546 -0.0001 0.1383 201 LEU B C 3148 O O . LEU B 203 ? 0.7700 0.6458 0.8325 0.0597 0.0065 0.1317 201 LEU B O 3149 C CB . LEU B 203 ? 0.4989 0.4010 0.5433 0.0339 -0.0069 0.1085 201 LEU B CB 3150 C CG . LEU B 203 ? 0.6335 0.5507 0.6703 0.0256 -0.0133 0.0946 201 LEU B CG 3151 C CD1 . LEU B 203 ? 0.5473 0.4512 0.5859 0.0182 -0.0109 0.0807 201 LEU B CD1 3152 C CD2 . LEU B 203 ? 0.5601 0.4965 0.5882 0.0209 -0.0156 0.1022 201 LEU B CD2 3153 N N . ARG B 204 ? 0.7606 0.6671 0.8203 0.0579 0.0015 0.1584 202 ARG B N 3154 C CA . ARG B 204 ? 0.8373 0.7241 0.9071 0.0696 0.0122 0.1752 202 ARG B CA 3155 C C . ARG B 204 ? 1.0358 0.8830 1.1050 0.0655 0.0233 0.1648 202 ARG B C 3156 O O . ARG B 204 ? 1.1384 0.9581 1.2135 0.0745 0.0339 0.1667 202 ARG B O 3157 C CB . ARG B 204 ? 0.8085 0.7121 0.8787 0.0724 0.0114 0.1997 202 ARG B CB 3158 N N . SER B 205 ? 0.9515 0.7951 1.0132 0.0513 0.0217 0.1537 203 SER B N 3159 C CA . SER B 205 ? 0.9383 0.7498 0.9987 0.0424 0.0294 0.1412 203 SER B CA 3160 C C . SER B 205 ? 0.7438 0.5679 0.7986 0.0282 0.0216 0.1224 203 SER B C 3161 O O . SER B 205 ? 0.6922 0.5450 0.7433 0.0260 0.0133 0.1220 203 SER B O 3162 C CB . SER B 205 ? 1.0618 0.8548 1.1241 0.0401 0.0391 0.1559 203 SER B CB 3163 O OG . SER B 205 ? 1.1485 0.9675 1.2076 0.0357 0.0342 0.1672 203 SER B OG 3164 N N . PRO B 206 ? 0.7149 0.5183 0.7686 0.0186 0.0243 0.1068 204 PRO B N 3165 C CA . PRO B 206 ? 0.6230 0.4420 0.6747 0.0067 0.0167 0.0914 204 PRO B CA 3166 C C . PRO B 206 ? 0.5620 0.3999 0.6145 -0.0007 0.0158 0.0980 204 PRO B C 3167 O O . PRO B 206 ? 0.6874 0.5197 0.7409 -0.0010 0.0220 0.1124 204 PRO B O 3168 C CB . PRO B 206 ? 0.6591 0.4516 0.7100 -0.0037 0.0205 0.0778 204 PRO B CB 3169 C CG . PRO B 206 ? 0.8102 0.5737 0.8588 0.0057 0.0287 0.0799 204 PRO B CG 3170 C CD . PRO B 206 ? 0.7236 0.4890 0.7767 0.0180 0.0340 0.1016 204 PRO B CD 3171 N N . VAL B 207 ? 0.5462 0.4060 0.5977 -0.0059 0.0092 0.0879 205 VAL B N 3172 C CA . VAL B 207 ? 0.6268 0.5076 0.6776 -0.0110 0.0092 0.0924 205 VAL B CA 3173 C C . VAL B 207 ? 0.6455 0.5300 0.7035 -0.0228 0.0094 0.0821 205 VAL B C 3174 O O . VAL B 207 ? 0.8357 0.7209 0.8964 -0.0251 0.0044 0.0690 205 VAL B O 3175 C CB . VAL B 207 ? 0.6351 0.5397 0.6780 -0.0053 0.0031 0.0907 205 VAL B CB 3176 C CG1 . VAL B 207 ? 0.5806 0.5039 0.6200 -0.0108 0.0054 0.0922 205 VAL B CG1 3177 C CG2 . VAL B 207 ? 0.7347 0.6415 0.7721 0.0041 0.0016 0.1032 205 VAL B CG2 3178 N N . THR B 208 ? 0.7095 0.5986 0.7717 -0.0306 0.0151 0.0894 206 THR B N 3179 C CA . THR B 208 ? 0.6713 0.5689 0.7441 -0.0427 0.0159 0.0829 206 THR B CA 3180 C C . THR B 208 ? 0.6494 0.5732 0.7229 -0.0430 0.0188 0.0872 206 THR B C 3181 O O . THR B 208 ? 0.7142 0.6401 0.7820 -0.0419 0.0247 0.0995 206 THR B O 3182 C CB . THR B 208 ? 0.7216 0.5985 0.8005 -0.0545 0.0221 0.0875 206 THR B CB 3183 O OG1 . THR B 208 ? 0.8889 0.7381 0.9647 -0.0552 0.0209 0.0803 206 THR B OG1 3184 C CG2 . THR B 208 ? 0.8727 0.7658 0.9650 -0.0689 0.0223 0.0832 206 THR B CG2 3185 N N . LYS B 209 ? 0.5723 0.5154 0.6519 -0.0434 0.0157 0.0777 207 LYS B N 3186 C CA . LYS B 209 ? 0.5923 0.5587 0.6758 -0.0444 0.0213 0.0802 207 LYS B CA 3187 C C . LYS B 209 ? 0.6442 0.6224 0.7475 -0.0556 0.0225 0.0783 207 LYS B C 3188 O O . LYS B 209 ? 0.6760 0.6532 0.7875 -0.0596 0.0153 0.0699 207 LYS B O 3189 C CB . LYS B 209 ? 0.5138 0.4935 0.5901 -0.0346 0.0190 0.0725 207 LYS B CB 3190 C CG . LYS B 209 ? 0.6123 0.5848 0.6691 -0.0265 0.0170 0.0744 207 LYS B CG 3191 C CD . LYS B 209 ? 0.7805 0.7573 0.8259 -0.0275 0.0243 0.0859 207 LYS B CD 3192 C CE . LYS B 209 ? 0.8964 0.8705 0.9224 -0.0215 0.0202 0.0890 207 LYS B CE 3193 N NZ . LYS B 209 ? 0.9499 0.9324 0.9611 -0.0234 0.0266 0.0994 207 LYS B NZ 3194 N N . SER B 210 ? 0.5046 0.4956 0.6151 -0.0615 0.0313 0.0870 208 SER B N 3195 C CA . SER B 210 ? 0.5057 0.5108 0.6377 -0.0745 0.0325 0.0878 208 SER B CA 3196 C C . SER B 210 ? 0.5068 0.5386 0.6476 -0.0739 0.0430 0.0948 208 SER B C 3197 O O . SER B 210 ? 0.5754 0.6099 0.7020 -0.0647 0.0499 0.0982 208 SER B O 3198 C CB . SER B 210 ? 0.4712 0.4546 0.6058 -0.0884 0.0338 0.0930 208 SER B CB 3199 O OG . SER B 210 ? 0.6065 0.5801 0.7319 -0.0876 0.0431 0.1058 208 SER B OG 3200 N N . PHE B 211 ? 0.4800 0.5327 0.6441 -0.0845 0.0443 0.0968 209 PHE B N 3201 C CA . PHE B 211 ? 0.5134 0.5931 0.6906 -0.0855 0.0563 0.1054 209 PHE B CA 3202 C C . PHE B 211 ? 0.5106 0.6047 0.7131 -0.1040 0.0560 0.1107 209 PHE B C 3203 O O . PHE B 211 ? 0.5217 0.6109 0.7323 -0.1145 0.0450 0.1047 209 PHE B O 3204 C CB . PHE B 211 ? 0.4359 0.5398 0.6189 -0.0718 0.0594 0.1008 209 PHE B CB 3205 C CG . PHE B 211 ? 0.4890 0.6101 0.6923 -0.0729 0.0494 0.0950 209 PHE B CG 3206 C CD1 . PHE B 211 ? 0.4604 0.5669 0.6534 -0.0668 0.0375 0.0847 209 PHE B CD1 3207 C CD2 . PHE B 211 ? 0.3893 0.5438 0.6227 -0.0804 0.0515 0.1012 209 PHE B CD2 3208 C CE1 . PHE B 211 ? 0.4642 0.5877 0.6741 -0.0682 0.0277 0.0806 209 PHE B CE1 3209 C CE2 . PHE B 211 ? 0.4447 0.6191 0.6970 -0.0819 0.0408 0.0979 209 PHE B CE2 3210 C CZ . PHE B 211 ? 0.4614 0.6195 0.7007 -0.0757 0.0287 0.0875 209 PHE B CZ 3211 N N . ASN B 212 ? 0.5289 0.6406 0.7422 -0.1093 0.0684 0.1219 210 ASN B N 3212 C CA . ASN B 212 ? 0.4939 0.6293 0.7360 -0.1269 0.0697 0.1285 210 ASN B CA 3213 C C . ASN B 212 ? 0.5805 0.7584 0.8465 -0.1191 0.0732 0.1298 210 ASN B C 3214 O O . ASN B 212 ? 0.6212 0.8108 0.8827 -0.1045 0.0857 0.1330 210 ASN B O 3215 C CB . ASN B 212 ? 0.5704 0.7021 0.8130 -0.1377 0.0826 0.1419 210 ASN B CB 3216 C CG . ASN B 212 ? 0.7801 0.8686 0.9988 -0.1416 0.0818 0.1438 210 ASN B CG 3217 O OD1 . ASN B 212 ? 0.9126 0.9744 1.1210 -0.1427 0.0710 0.1349 210 ASN B OD1 3218 N ND2 . ASN B 212 ? 0.8863 0.9684 1.0963 -0.1428 0.0943 0.1566 210 ASN B ND2 3219 N N . ARG B 213 ? 0.5547 0.7553 0.8449 -0.1283 0.0625 0.1275 211 ARG B N 3220 C CA . ARG B 213 ? 0.5323 0.7785 0.8518 -0.1217 0.0660 0.1327 211 ARG B CA 3221 C C . ARG B 213 ? 0.6492 0.9205 0.9851 -0.1238 0.0840 0.1465 211 ARG B C 3222 O O . ARG B 213 ? 0.7252 0.9985 1.0709 -0.1432 0.0865 0.1542 211 ARG B O 3223 C CB . ARG B 213 ? 0.4257 0.6963 0.7706 -0.1373 0.0505 0.1319 211 ARG B CB 3224 C CG . ARG B 213 ? 0.4302 0.7541 0.8111 -0.1310 0.0530 0.1410 211 ARG B CG 3225 C CD . ARG B 213 ? 0.4222 0.7747 0.8282 -0.1501 0.0356 0.1421 211 ARG B CD 3226 N NE . ARG B 213 ? 0.5762 0.9205 0.9852 -0.1795 0.0313 0.1434 211 ARG B NE 3227 C CZ . ARG B 213 ? 0.6437 1.0136 1.0765 -0.1937 0.0407 0.1560 211 ARG B CZ 3228 N NH1 . ARG B 213 ? 0.7038 1.1111 1.1601 -0.1798 0.0558 0.1686 211 ARG B NH1 3229 N NH2 . ARG B 213 ? 0.6494 1.0058 1.0820 -0.2219 0.0365 0.1559 211 ARG B NH2 3230 N N . GLY B 214 ? 0.6570 0.9445 0.9940 -0.1040 0.0981 0.1492 212 GLY B N 3231 C CA . GLY B 214 ? 0.6549 0.9633 1.0022 -0.1027 0.1183 0.1612 212 GLY B CA 3232 C C . GLY B 214 ? 0.7840 1.0677 1.0969 -0.0873 0.1330 0.1586 212 GLY B C 3233 O O . GLY B 214 ? 0.8806 1.1316 1.1654 -0.0927 0.1321 0.1576 212 GLY B O 3234 N N . ASP C 1 ? 0.9103 1.3983 1.6539 0.2199 -0.0015 0.1209 1 ASP G N 3235 C CA . ASP C 1 ? 0.9146 1.4671 1.7056 0.2142 0.0110 0.1096 1 ASP G CA 3236 C C . ASP C 1 ? 0.8746 1.4279 1.6390 0.1751 0.0195 0.0982 1 ASP G C 3237 O O . ASP C 1 ? 0.7911 1.3508 1.5607 0.1674 0.0447 0.0829 1 ASP G O 3238 C CB . ASP C 1 ? 0.9331 1.5567 1.7765 0.2232 -0.0124 0.1220 1 ASP G CB 3239 C CG . ASP C 1 ? 1.0096 1.6914 1.8936 0.2230 0.0034 0.1066 1 ASP G CG 3240 O OD1 . ASP C 1 ? 0.9164 1.6000 1.7945 0.2049 0.0284 0.0913 1 ASP G OD1 3241 O OD2 . ASP C 1 ? 1.0676 1.7922 1.9857 0.2406 -0.0095 0.1091 1 ASP G OD2 3242 N N . THR C 2 ? 0.8181 1.3613 1.5506 0.1516 -0.0017 0.1057 2 THR G N 3243 C CA . THR C 2 ? 0.7131 1.2551 1.4198 0.1158 0.0016 0.0972 2 THR G CA 3244 C C . THR C 2 ? 0.6777 1.1652 1.3260 0.1013 -0.0113 0.1016 2 THR G C 3245 O O . THR C 2 ? 0.6852 1.1612 1.3208 0.1099 -0.0327 0.1149 2 THR G O 3246 C CB . THR C 2 ? 0.5983 1.2062 1.3413 0.0980 -0.0123 0.1000 2 THR G CB 3247 O OG1 . THR C 2 ? 0.5612 1.2212 1.3564 0.1057 0.0069 0.0929 2 THR G OG1 3248 C CG2 . THR C 2 ? 0.5731 1.1685 1.2812 0.0608 -0.0157 0.0946 2 THR G CG2 3249 N N . ILE C 3 ? 0.5915 1.0462 1.2038 0.0806 0.0021 0.0906 3 ILE G N 3250 C CA . ILE C 3 ? 0.6142 1.0239 1.1745 0.0647 -0.0073 0.0922 3 ILE G CA 3251 C C . ILE C 3 ? 0.6394 1.0688 1.1912 0.0356 -0.0182 0.0894 3 ILE G C 3252 O O . ILE C 3 ? 0.6282 1.0680 1.1838 0.0193 -0.0048 0.0795 3 ILE G O 3253 C CB . ILE C 3 ? 0.6060 0.9651 1.1331 0.0627 0.0131 0.0819 3 ILE G CB 3254 C CG1 . ILE C 3 ? 0.6306 0.9680 1.1680 0.0895 0.0254 0.0826 3 ILE G CG1 3255 C CG2 . ILE C 3 ? 0.6182 0.9361 1.0970 0.0491 0.0041 0.0841 3 ILE G CG2 3256 C CD1 . ILE C 3 ? 0.6091 0.8946 1.1130 0.0863 0.0421 0.0730 3 ILE G CD1 3257 N N . THR C 4 ? 0.6145 1.0459 1.1515 0.0287 -0.0427 0.0982 4 THR G N 3258 C CA . THR C 4 ? 0.6889 1.1346 1.2160 0.0014 -0.0563 0.0954 4 THR G CA 3259 C C . THR C 4 ? 0.7516 1.1461 1.2224 -0.0115 -0.0594 0.0918 4 THR G C 3260 O O . THR C 4 ? 0.8517 1.2208 1.2951 -0.0027 -0.0702 0.0989 4 THR G O 3261 C CB . THR C 4 ? 0.7076 1.1956 1.2587 0.0009 -0.0833 0.1053 4 THR G CB 3262 O OG1 . THR C 4 ? 0.9501 1.4126 1.4726 0.0139 -0.1004 0.1157 4 THR G OG1 3263 C CG2 . THR C 4 ? 0.5371 1.0808 1.1498 0.0177 -0.0799 0.1093 4 THR G CG2 3264 N N . LEU C 5 ? 0.7325 1.1125 1.1859 -0.0313 -0.0495 0.0814 5 LEU G N 3265 C CA . LEU C 5 ? 0.7281 1.0626 1.1326 -0.0419 -0.0505 0.0763 5 LEU G CA 3266 C C . LEU C 5 ? 0.6634 1.0014 1.0513 -0.0628 -0.0703 0.0750 5 LEU G C 3267 O O . LEU C 5 ? 0.6260 0.9874 1.0317 -0.0804 -0.0719 0.0715 5 LEU G O 3268 C CB . LEU C 5 ? 0.6298 0.9420 1.0226 -0.0485 -0.0297 0.0659 5 LEU G CB 3269 C CG . LEU C 5 ? 0.6371 0.9433 1.0436 -0.0306 -0.0097 0.0640 5 LEU G CG 3270 C CD1 . LEU C 5 ? 0.5853 0.8692 0.9748 -0.0393 0.0072 0.0534 5 LEU G CD1 3271 C CD2 . LEU C 5 ? 0.6888 0.9687 1.0800 -0.0133 -0.0119 0.0704 5 LEU G CD2 3272 N N . PRO C 6 ? 0.5528 0.8665 0.9051 -0.0629 -0.0848 0.0771 6 PRO G N 3273 C CA . PRO C 6 ? 0.4190 0.7287 0.7494 -0.0835 -0.1030 0.0727 6 PRO G CA 3274 C C . PRO C 6 ? 0.5086 0.7867 0.8135 -0.0990 -0.0928 0.0613 6 PRO G C 3275 O O . PRO C 6 ? 0.4913 0.7378 0.7751 -0.0915 -0.0777 0.0571 6 PRO G O 3276 C CB . PRO C 6 ? 0.3912 0.6790 0.6851 -0.0753 -0.1170 0.0773 6 PRO G CB 3277 C CG . PRO C 6 ? 0.4942 0.7572 0.7781 -0.0562 -0.0991 0.0806 6 PRO G CG 3278 C CD . PRO C 6 ? 0.4661 0.7527 0.7938 -0.0454 -0.0840 0.0832 6 PRO G CD 3279 N N . CYS C 7 ? 0.4535 0.7406 0.7618 -0.1211 -0.1021 0.0568 7 CYS G N 3280 C CA . CYS C 7 ? 0.4052 0.6630 0.6925 -0.1366 -0.0941 0.0479 7 CYS G CA 3281 C C . CYS C 7 ? 0.4964 0.7361 0.7561 -0.1563 -0.1134 0.0420 7 CYS G C 3282 O O . CYS C 7 ? 0.5914 0.8585 0.8665 -0.1684 -0.1314 0.0445 7 CYS G O 3283 C CB . CYS C 7 ? 0.5403 0.8224 0.8602 -0.1469 -0.0810 0.0487 7 CYS G CB 3284 S SG . CYS C 7 ? 0.7395 1.0410 1.0901 -0.1260 -0.0566 0.0521 7 CYS G SG 3285 N N . ARG C 8 ? 0.4970 0.6907 0.7170 -0.1593 -0.1100 0.0333 8 ARG G N 3286 C CA . ARG C 8 ? 0.5839 0.7507 0.7731 -0.1776 -0.1259 0.0250 8 ARG G CA 3287 C C . ARG C 8 ? 0.6478 0.7788 0.8195 -0.1876 -0.1164 0.0185 8 ARG G C 3288 O O . ARG C 8 ? 0.7979 0.9043 0.9544 -0.1736 -0.1020 0.0157 8 ARG G O 3289 C CB . ARG C 8 ? 0.6237 0.7631 0.7718 -0.1676 -0.1353 0.0195 8 ARG G CB 3290 C CG . ARG C 8 ? 0.7694 0.8776 0.8818 -0.1857 -0.1524 0.0084 8 ARG G CG 3291 C CD . ARG C 8 ? 0.9014 0.9824 0.9689 -0.1748 -0.1592 0.0015 8 ARG G CD 3292 N NE . ARG C 8 ? 0.9546 1.0074 1.0014 -0.1557 -0.1396 -0.0023 8 ARG G NE 3293 C CZ . ARG C 8 ? 0.9152 0.9440 0.9236 -0.1440 -0.1383 -0.0085 8 ARG G CZ 3294 N NH1 . ARG C 8 ? 0.9392 0.9649 0.9200 -0.1492 -0.1560 -0.0119 8 ARG G NH1 3295 N NH2 . ARG C 8 ? 0.7687 0.7789 0.7662 -0.1279 -0.1193 -0.0116 8 ARG G NH2 3296 N N . PRO C 9 ? 0.6655 0.7941 0.8404 -0.2124 -0.1250 0.0170 9 PRO G N 3297 C CA . PRO C 9 ? 0.6207 0.7848 0.8203 -0.2324 -0.1421 0.0203 9 PRO G CA 3298 C C . PRO C 9 ? 0.6726 0.8941 0.9263 -0.2325 -0.1331 0.0310 9 PRO G C 3299 O O . PRO C 9 ? 0.6742 0.9037 0.9415 -0.2154 -0.1137 0.0349 9 PRO G O 3300 C CB . PRO C 9 ? 0.5252 0.6571 0.7058 -0.2600 -0.1497 0.0143 9 PRO G CB 3301 C CG . PRO C 9 ? 0.6691 0.7685 0.8362 -0.2543 -0.1306 0.0144 9 PRO G CG 3302 C CD . PRO C 9 ? 0.5441 0.6314 0.6966 -0.2237 -0.1193 0.0123 9 PRO G CD 3303 N N . ALA C 10 ? 0.8176 1.0792 1.1023 -0.2513 -0.1468 0.0345 10 ALA G N 3304 C CA . ALA C 10 ? 0.7760 1.0986 1.1168 -0.2500 -0.1383 0.0438 10 ALA G CA 3305 C C . ALA C 10 ? 0.6007 0.9251 0.9553 -0.2633 -0.1176 0.0462 10 ALA G C 3306 O O . ALA C 10 ? 0.6354 0.9500 0.9855 -0.2920 -0.1224 0.0451 10 ALA G O 3307 C CB . ALA C 10 ? 0.8086 1.1786 1.1817 -0.2671 -0.1608 0.0466 10 ALA G CB 3308 N N . PRO C 11 ? 0.4185 0.7530 0.7872 -0.2449 -0.0949 0.0496 11 PRO G N 3309 C CA . PRO C 11 ? 0.5319 0.8684 0.9089 -0.2572 -0.0745 0.0522 11 PRO G CA 3310 C C . PRO C 11 ? 0.6700 1.0653 1.0966 -0.2771 -0.0723 0.0582 11 PRO G C 3311 O O . PRO C 11 ? 0.6430 1.0917 1.1125 -0.2668 -0.0762 0.0616 11 PRO G O 3312 C CB . PRO C 11 ? 0.4215 0.7580 0.8010 -0.2291 -0.0534 0.0524 11 PRO G CB 3313 C CG . PRO C 11 ? 0.4438 0.7614 0.8051 -0.2052 -0.0628 0.0494 11 PRO G CG 3314 C CD . PRO C 11 ? 0.3787 0.7155 0.7490 -0.2125 -0.0868 0.0505 11 PRO G CD 3315 N N . PRO C 12 ? 0.6921 1.0783 1.1138 -0.3038 -0.0652 0.0598 12 PRO G N 3316 C CA . PRO C 12 ? 0.7160 1.1467 1.1760 -0.3144 -0.0559 0.0613 12 PRO G CA 3317 C C . PRO C 12 ? 0.6324 1.1059 1.1274 -0.2960 -0.0308 0.0641 12 PRO G C 3318 O O . PRO C 12 ? 0.6019 1.0601 1.0829 -0.2807 -0.0168 0.0650 12 PRO G O 3319 C CB . PRO C 12 ? 0.7154 1.1052 1.1454 -0.3409 -0.0503 0.0618 12 PRO G CB 3320 C CG . PRO C 12 ? 0.7450 1.0705 1.1234 -0.3453 -0.0657 0.0583 12 PRO G CG 3321 C CD . PRO C 12 ? 0.7627 1.0853 1.1351 -0.3202 -0.0662 0.0579 12 PRO G CD 3322 N N . PRO C 13 ? 0.5620 1.0889 1.1030 -0.2973 -0.0240 0.0644 13 PRO G N 3323 C CA . PRO C 13 ? 0.5376 1.1057 1.1133 -0.2773 0.0005 0.0648 13 PRO G CA 3324 C C . PRO C 13 ? 0.6253 1.1699 1.1779 -0.2806 0.0274 0.0660 13 PRO G C 3325 O O . PRO C 13 ? 0.3706 0.9293 0.9329 -0.2595 0.0459 0.0646 13 PRO G O 3326 C CB . PRO C 13 ? 0.5043 1.1288 1.1308 -0.2846 0.0011 0.0640 13 PRO G CB 3327 C CG . PRO C 13 ? 0.4195 1.0407 1.0432 -0.2996 -0.0296 0.0632 13 PRO G CG 3328 C CD . PRO C 13 ? 0.5381 1.0916 1.1035 -0.3159 -0.0393 0.0631 13 PRO G CD 3329 N N . HIS C 14 ? 0.6114 1.1187 1.1314 -0.3059 0.0295 0.0688 14 HIS G N 3330 C CA . HIS C 14 ? 0.6897 1.1726 1.1823 -0.3100 0.0527 0.0719 14 HIS G CA 3331 C C . HIS C 14 ? 0.6882 1.1284 1.1404 -0.2969 0.0526 0.0708 14 HIS G C 3332 O O . HIS C 14 ? 0.6651 1.0866 1.0924 -0.2973 0.0707 0.0727 14 HIS G O 3333 C CB . HIS C 14 ? 0.7973 1.2497 1.2648 -0.3405 0.0531 0.0775 14 HIS G CB 3334 C CG . HIS C 14 ? 0.9629 1.3506 1.3797 -0.3521 0.0342 0.0782 14 HIS G CG 3335 N ND1 . HIS C 14 ? 1.0129 1.3861 1.4259 -0.3611 0.0085 0.0747 14 HIS G ND1 3336 C CD2 . HIS C 14 ? 0.9321 1.2650 1.2994 -0.3553 0.0372 0.0813 14 HIS G CD2 3337 C CE1 . HIS C 14 ? 0.9400 1.2506 1.3038 -0.3682 -0.0023 0.0749 14 HIS G CE1 3338 N NE2 . HIS C 14 ? 0.9110 1.1966 1.2477 -0.3645 0.0142 0.0794 14 HIS G NE2 3339 N N . CYS C 15 ? 0.6953 1.1206 1.1396 -0.2861 0.0326 0.0682 15 CYS G N 3340 C CA . CYS C 15 ? 0.7778 1.1614 1.1864 -0.2674 0.0331 0.0648 15 CYS G CA 3341 C C . CYS C 15 ? 0.7070 1.1144 1.1362 -0.2359 0.0460 0.0599 15 CYS G C 3342 O O . CYS C 15 ? 0.6663 1.0379 1.0669 -0.2165 0.0479 0.0547 15 CYS G O 3343 C CB . CYS C 15 ? 0.8781 1.2197 1.2584 -0.2640 0.0080 0.0612 15 CYS G CB 3344 S SG . CYS C 15 ? 1.2249 1.5135 1.5637 -0.2957 -0.0056 0.0638 15 CYS G SG 3345 N N . SER C 16 ? 0.6678 1.1346 1.1473 -0.2304 0.0548 0.0612 16 SER G N 3346 C CA . SER C 16 ? 0.4732 0.9597 0.9719 -0.2010 0.0706 0.0562 16 SER G CA 3347 C C . SER C 16 ? 0.4686 0.9309 0.9374 -0.1984 0.0934 0.0520 16 SER G C 3348 O O . SER C 16 ? 0.7067 1.1747 1.1681 -0.2194 0.1069 0.0556 16 SER G O 3349 C CB . SER C 16 ? 0.4767 1.0338 1.0366 -0.1971 0.0787 0.0584 16 SER G CB 3350 O OG . SER C 16 ? 0.6073 1.1837 1.1888 -0.2051 0.0555 0.0613 16 SER G OG 3351 N N . SER C 17 ? 0.4609 0.8955 0.9107 -0.1742 0.0972 0.0449 17 SER G N 3352 C CA . SER C 17 ? 0.6250 1.0323 1.0415 -0.1707 0.1147 0.0394 17 SER G CA 3353 C C . SER C 17 ? 0.5404 0.9591 0.9725 -0.1431 0.1293 0.0304 17 SER G C 3354 O O . SER C 17 ? 0.5219 0.9701 0.9920 -0.1265 0.1271 0.0299 17 SER G O 3355 C CB . SER C 17 ? 0.6460 0.9944 1.0124 -0.1731 0.1013 0.0384 17 SER G CB 3356 O OG . SER C 17 ? 0.6343 0.9687 0.9997 -0.1742 0.0782 0.0413 17 SER G OG 3357 N N . ASN C 18 ? 0.5673 0.9601 0.9680 -0.1382 0.1433 0.0230 18 ASN G N 3358 C CA . ASN C 18 ? 0.5013 0.8914 0.9063 -0.1136 0.1563 0.0120 18 ASN G CA 3359 C C . ASN C 18 ? 0.5074 0.8475 0.8769 -0.1049 0.1447 0.0070 18 ASN G C 3360 O O . ASN C 18 ? 0.4987 0.8071 0.8303 -0.1173 0.1385 0.0081 18 ASN G O 3361 C CB . ASN C 18 ? 0.4361 0.8386 0.8328 -0.1152 0.1829 0.0049 18 ASN G CB 3362 C CG . ASN C 18 ? 0.4916 0.9520 0.9341 -0.1156 0.2001 0.0065 18 ASN G CG 3363 N ND2 . ASN C 18 ? 0.6611 1.1360 1.0922 -0.1278 0.2223 0.0047 18 ASN G ND2 3364 N N . ILE C 19 ? 0.4765 0.8104 0.8598 -0.0838 0.1412 0.0026 19 ILE G N 3365 C CA . ILE C 19 ? 0.3301 0.6217 0.6849 -0.0756 0.1342 -0.0033 19 ILE G CA 3366 C C . ILE C 19 ? 0.5137 0.7924 0.8494 -0.0703 0.1519 -0.0159 19 ILE G C 3367 O O . ILE C 19 ? 0.5366 0.8307 0.8916 -0.0563 0.1677 -0.0234 19 ILE G O 3368 C CB . ILE C 19 ? 0.2972 0.5838 0.6708 -0.0577 0.1247 -0.0019 19 ILE G CB 3369 C CG1 . ILE C 19 ? 0.3364 0.6332 0.7212 -0.0643 0.1053 0.0097 19 ILE G CG1 3370 C CG2 . ILE C 19 ? 0.3425 0.5885 0.6894 -0.0514 0.1207 -0.0084 19 ILE G CG2 3371 C CD1 . ILE C 19 ? 0.3940 0.6947 0.8004 -0.0466 0.0969 0.0140 19 ILE G CD1 3372 N N . THR C 20 ? 0.5539 0.8043 0.8508 -0.0808 0.1486 -0.0188 20 THR G N 3373 C CA . THR C 20 ? 0.5647 0.8001 0.8363 -0.0784 0.1618 -0.0313 20 THR G CA 3374 C C . THR C 20 ? 0.4995 0.7008 0.7530 -0.0709 0.1532 -0.0396 20 THR G C 3375 O O . THR C 20 ? 0.5443 0.7322 0.7801 -0.0672 0.1627 -0.0524 20 THR G O 3376 C CB . THR C 20 ? 0.5806 0.8119 0.8192 -0.0969 0.1647 -0.0280 20 THR G CB 3377 O OG1 . THR C 20 ? 0.6139 0.8230 0.8329 -0.1072 0.1446 -0.0191 20 THR G OG1 3378 C CG2 . THR C 20 ? 0.4565 0.7241 0.7139 -0.1068 0.1780 -0.0207 20 THR G CG2 3379 N N . GLY C 21 ? 0.4962 0.6843 0.7535 -0.0695 0.1362 -0.0336 21 GLY G N 3380 C CA . GLY C 21 ? 0.4436 0.6044 0.6890 -0.0639 0.1296 -0.0409 21 GLY G CA 3381 C C . GLY C 21 ? 0.5000 0.6532 0.7532 -0.0626 0.1137 -0.0322 21 GLY G C 3382 O O . GLY C 21 ? 0.4858 0.6520 0.7499 -0.0660 0.1064 -0.0216 21 GLY G O 3383 N N . LEU C 22 ? 0.4419 0.5742 0.6882 -0.0588 0.1089 -0.0375 22 LEU G N 3384 C CA . LEU C 22 ? 0.4478 0.5718 0.6969 -0.0580 0.0961 -0.0306 22 LEU G CA 3385 C C . LEU C 22 ? 0.5122 0.6173 0.7460 -0.0605 0.0913 -0.0379 22 LEU G C 3386 O O . LEU C 22 ? 0.4999 0.5979 0.7223 -0.0627 0.0961 -0.0485 22 LEU G O 3387 C CB . LEU C 22 ? 0.5143 0.6414 0.7862 -0.0469 0.0975 -0.0252 22 LEU G CB 3388 C CG . LEU C 22 ? 0.6024 0.7270 0.8892 -0.0354 0.1103 -0.0312 22 LEU G CG 3389 C CD1 . LEU C 22 ? 0.7928 0.8916 1.0703 -0.0347 0.1127 -0.0403 22 LEU G CD1 3390 C CD2 . LEU C 22 ? 0.5176 0.6518 0.8279 -0.0239 0.1084 -0.0208 22 LEU G CD2 3391 N N . ILE C 23 ? 0.3727 0.4720 0.6068 -0.0604 0.0816 -0.0328 23 ILE G N 3392 C CA . ILE C 23 ? 0.4315 0.5202 0.6567 -0.0631 0.0760 -0.0385 23 ILE G CA 3393 C C . ILE C 23 ? 0.4915 0.5748 0.7283 -0.0588 0.0757 -0.0348 23 ILE G C 3394 O O . ILE C 23 ? 0.3401 0.4266 0.5804 -0.0559 0.0717 -0.0255 23 ILE G O 3395 C CB . ILE C 23 ? 0.4386 0.5271 0.6475 -0.0680 0.0645 -0.0361 23 ILE G CB 3396 C CG1 . ILE C 23 ? 0.3875 0.4713 0.5929 -0.0686 0.0584 -0.0424 23 ILE G CG1 3397 C CG2 . ILE C 23 ? 0.5511 0.6416 0.7607 -0.0672 0.0577 -0.0260 23 ILE G CG2 3398 C CD1 . ILE C 23 ? 0.4857 0.5677 0.6751 -0.0702 0.0466 -0.0411 23 ILE G CD1 3399 N N . LEU C 24 ? 0.4152 0.4894 0.6560 -0.0599 0.0800 -0.0420 24 LEU G N 3400 C CA . LEU C 24 ? 0.3425 0.4085 0.5935 -0.0576 0.0835 -0.0379 24 LEU G CA 3401 C C . LEU C 24 ? 0.5121 0.5776 0.7635 -0.0640 0.0807 -0.0428 24 LEU G C 3402 O O . LEU C 24 ? 0.5218 0.5910 0.7689 -0.0695 0.0769 -0.0523 24 LEU G O 3403 C CB . LEU C 24 ? 0.4066 0.4590 0.6663 -0.0540 0.0938 -0.0410 24 LEU G CB 3404 C CG . LEU C 24 ? 0.4294 0.4855 0.6952 -0.0451 0.0991 -0.0382 24 LEU G CG 3405 C CD1 . LEU C 24 ? 0.4526 0.4908 0.7239 -0.0408 0.1098 -0.0464 24 LEU G CD1 3406 C CD2 . LEU C 24 ? 0.3569 0.4194 0.6305 -0.0379 0.0952 -0.0236 24 LEU G CD2 3407 N N . THR C 25 ? 0.5439 0.6067 0.8007 -0.0633 0.0829 -0.0358 25 THR G N 3408 C CA . THR C 25 ? 0.5261 0.5916 0.7892 -0.0699 0.0843 -0.0393 25 THR G CA 3409 C C . THR C 25 ? 0.4946 0.5435 0.7658 -0.0739 0.0944 -0.0377 25 THR G C 3410 O O . THR C 25 ? 0.4479 0.4848 0.7177 -0.0679 0.0987 -0.0276 25 THR G O 3411 C CB . THR C 25 ? 0.4805 0.5559 0.7406 -0.0669 0.0813 -0.0324 25 THR G CB 3412 O OG1 . THR C 25 ? 0.4678 0.5541 0.7209 -0.0642 0.0714 -0.0360 25 THR G OG1 3413 C CG2 . THR C 25 ? 0.5305 0.6110 0.8011 -0.0733 0.0876 -0.0336 25 THR G CG2 3414 N N . ARG C 26 ? 0.5237 0.5705 0.8029 -0.0844 0.0969 -0.0473 26 ARG G N 3415 C CA . ARG C 26 ? 0.3720 0.3983 0.6579 -0.0914 0.1066 -0.0460 26 ARG G CA 3416 C C . ARG C 26 ? 0.4042 0.4366 0.6960 -0.0971 0.1118 -0.0373 26 ARG G C 3417 O O . ARG C 26 ? 0.4889 0.5441 0.7886 -0.1025 0.1090 -0.0418 26 ARG G O 3418 C CB . ARG C 26 ? 0.3600 0.3794 0.6511 -0.1033 0.1068 -0.0616 26 ARG G CB 3419 C CG . ARG C 26 ? 0.4614 0.4546 0.7588 -0.1135 0.1167 -0.0610 26 ARG G CG 3420 C CD . ARG C 26 ? 0.5298 0.5111 0.8288 -0.1256 0.1157 -0.0787 26 ARG G CD 3421 N NE . ARG C 26 ? 0.4694 0.4797 0.7766 -0.1365 0.1062 -0.0894 26 ARG G NE 3422 C CZ . ARG C 26 ? 0.4968 0.5197 0.8211 -0.1521 0.1070 -0.0913 26 ARG G CZ 3423 N NH1 . ARG C 26 ? 0.6740 0.6796 1.0055 -0.1606 0.1184 -0.0825 26 ARG G NH1 3424 N NH2 . ARG C 26 ? 0.5714 0.6256 0.9063 -0.1593 0.0962 -0.1010 26 ARG G NH2 3425 N N . GLN C 27 ? 0.4682 0.4809 0.7558 -0.0952 0.1198 -0.0245 27 GLN G N 3426 C CA . GLN C 27 ? 0.5155 0.5323 0.8037 -0.1012 0.1271 -0.0146 27 GLN G CA 3427 C C . GLN C 27 ? 0.5512 0.5671 0.8545 -0.1196 0.1346 -0.0210 27 GLN G C 3428 O O . GLN C 27 ? 0.5529 0.5434 0.8589 -0.1272 0.1383 -0.0248 27 GLN G O 3429 C CB . GLN C 27 ? 0.5345 0.5280 0.8091 -0.0943 0.1324 0.0028 27 GLN G CB 3430 C CG . GLN C 27 ? 0.4400 0.4349 0.7099 -0.1021 0.1423 0.0140 27 GLN G CG 3431 C CD . GLN C 27 ? 0.4991 0.4917 0.7482 -0.0906 0.1406 0.0293 27 GLN G CD 3432 O OE1 . GLN C 27 ? 0.6479 0.6305 0.8883 -0.0778 0.1327 0.0350 27 GLN G OE1 3433 N NE2 . GLN C 27 ? 0.4431 0.4471 0.6841 -0.0952 0.1480 0.0353 27 GLN G NE2 3434 N N . GLY C 28 ? 0.7602 0.8041 1.0743 -0.1268 0.1371 -0.0228 28 GLY G N 3435 C CA . GLY C 28 ? 0.8822 0.9326 1.2153 -0.1464 0.1447 -0.0278 28 GLY G CA 3436 C C . GLY C 28 ? 0.9356 0.9687 1.2641 -0.1557 0.1601 -0.0126 28 GLY G C 3437 O O . GLY C 28 ? 0.8112 0.8386 1.1220 -0.1459 0.1645 0.0016 28 GLY G O 3438 N N . GLY C 29 ? 1.0433 1.0661 1.3856 -0.1761 0.1679 -0.0153 29 GLY G N 3439 C CA . GLY C 29 ? 1.1018 1.1037 1.4379 -0.1880 0.1837 0.0006 29 GLY G CA 3440 C C . GLY C 29 ? 1.2477 1.2202 1.5934 -0.2096 0.1892 -0.0032 29 GLY G C 3441 O O . GLY C 29 ? 1.2580 1.2139 1.6069 -0.2109 0.1804 -0.0168 29 GLY G O 3442 N N . TYR C 30 ? 1.4818 1.4451 1.8294 -0.2279 0.2048 0.0091 30 TYR G N 3443 C CA . TYR C 30 ? 1.6720 1.6073 2.0288 -0.2531 0.2111 0.0065 30 TYR G CA 3444 C C . TYR C 30 ? 1.8816 1.7513 2.2154 -0.2480 0.2123 0.0153 30 TYR G C 3445 O O . TYR C 30 ? 2.0015 1.8342 2.3212 -0.2582 0.2223 0.0309 30 TYR G O 3446 C CB . TYR C 30 ? 1.6654 1.6180 2.0243 -0.2701 0.2231 0.0182 30 TYR G CB 3447 C CG . TYR C 30 ? 1.6254 1.6309 2.0139 -0.2838 0.2179 0.0035 30 TYR G CG 3448 C CD1 . TYR C 30 ? 1.6607 1.6697 2.0585 -0.3077 0.2238 0.0071 30 TYR G CD1 3449 C CD2 . TYR C 30 ? 1.5364 1.5882 1.9446 -0.2727 0.2062 -0.0126 30 TYR G CD2 3450 C CE1 . TYR C 30 ? 1.6730 1.7334 2.1018 -0.3197 0.2182 -0.0049 30 TYR G CE1 3451 C CE2 . TYR C 30 ? 1.5822 1.6827 2.0190 -0.2830 0.1999 -0.0244 30 TYR G CE2 3452 C CZ . TYR C 30 ? 1.6389 1.7451 2.0873 -0.3063 0.2059 -0.0205 30 TYR G CZ 3453 O OH . TYR C 30 ? 1.6215 1.7792 2.1022 -0.3164 0.1991 -0.0311 30 TYR G OH 3454 N N . SER C 31 ? 1.8833 1.7411 2.2090 -0.2277 0.1991 0.0053 31 SER G N 3455 C CA . SER C 31 ? 1.8782 1.6790 2.1859 -0.2175 0.1980 0.0089 31 SER G CA 3456 C C . SER C 31 ? 1.8865 1.6571 2.1700 -0.2039 0.2043 0.0353 31 SER G C 3457 O O . SER C 31 ? 1.8067 1.5944 2.0791 -0.1812 0.1981 0.0433 31 SER G O 3458 C CB . SER C 31 ? 1.8418 1.6035 2.1563 -0.2419 0.2029 -0.0006 31 SER G CB 3459 O OG . SER C 31 ? 1.7425 1.5346 2.0767 -0.2554 0.1942 -0.0251 31 SER G OG 3460 N N . ASN C 32 ? 1.8656 1.5912 2.1402 -0.2194 0.2158 0.0491 32 ASN G N 3461 C CA . ASN C 32 ? 1.7429 1.4210 1.9909 -0.2091 0.2211 0.0750 32 ASN G CA 3462 C C . ASN C 32 ? 1.6936 1.3133 1.9349 -0.1990 0.2173 0.0708 32 ASN G C 3463 O O . ASN C 32 ? 1.5673 1.1504 1.8135 -0.2194 0.2230 0.0629 32 ASN G O 3464 C CB . ASN C 32 ? 1.6296 1.3289 1.8603 -0.1828 0.2147 0.0902 32 ASN G CB 3465 N N . ALA C 33 ? 1.7452 1.3558 1.9762 -0.1678 0.2079 0.0754 33 ALA G N 3466 C CA . ALA C 33 ? 1.7295 1.2966 1.9601 -0.1536 0.2040 0.0650 33 ALA G CA 3467 C C . ALA C 33 ? 1.6882 1.2843 1.9370 -0.1553 0.1978 0.0341 33 ALA G C 3468 O O . ALA C 33 ? 1.6826 1.3344 1.9432 -0.1597 0.1931 0.0242 33 ALA G O 3469 C CB . ALA C 33 ? 1.6584 1.2136 1.8771 -0.1188 0.1962 0.0801 33 ALA G CB 3470 N N . ASN C 34 ? 1.6154 1.1705 1.8638 -0.1513 0.1979 0.0186 34 ASN G N 3471 C CA . ASN C 34 ? 1.4632 1.0392 1.7226 -0.1534 0.1925 -0.0112 34 ASN G CA 3472 C C . ASN C 34 ? 1.3866 0.9986 1.6482 -0.1242 0.1844 -0.0154 34 ASN G C 3473 O O . ASN C 34 ? 1.3894 0.9859 1.6496 -0.1071 0.1833 -0.0289 34 ASN G O 3474 C CB . ASN C 34 ? 1.4134 0.9305 1.6674 -0.1598 0.1967 -0.0279 34 ASN G CB 3475 C CG . ASN C 34 ? 1.3959 0.9328 1.6560 -0.1678 0.1914 -0.0597 34 ASN G CG 3476 O OD1 . ASN C 34 ? 1.2983 0.8929 1.5680 -0.1712 0.1843 -0.0676 34 ASN G OD1 3477 N ND2 . ASN C 34 ? 1.4172 0.9033 1.6689 -0.1704 0.1943 -0.0782 34 ASN G ND2 3478 N N . THR C 35 ? 1.2469 0.9081 1.5117 -0.1196 0.1795 -0.0040 35 THR G N 3479 C CA . THR C 35 ? 1.1465 0.8445 1.4138 -0.0959 0.1715 -0.0047 35 THR G CA 3480 C C . THR C 35 ? 0.9548 0.7086 1.2301 -0.1059 0.1653 -0.0147 35 THR G C 3481 O O . THR C 35 ? 0.9591 0.7290 1.2394 -0.1269 0.1671 -0.0150 35 THR G O 3482 C CB . THR C 35 ? 1.1887 0.8867 1.4485 -0.0763 0.1689 0.0211 35 THR G CB 3483 O OG1 . THR C 35 ? 1.2924 1.0191 1.5483 -0.0877 0.1684 0.0342 35 THR G OG1 3484 C CG2 . THR C 35 ? 1.1833 0.8223 1.4329 -0.0697 0.1746 0.0362 35 THR G CG2 3485 N N . VAL C 36 ? 0.7821 0.5657 1.0598 -0.0906 0.1584 -0.0228 36 VAL G N 3486 C CA . VAL C 36 ? 0.6863 0.5190 0.9687 -0.0953 0.1510 -0.0294 36 VAL G CA 3487 C C . VAL C 36 ? 0.7393 0.5972 1.0194 -0.0758 0.1450 -0.0173 36 VAL G C 3488 O O . VAL C 36 ? 0.8506 0.7016 1.1309 -0.0579 0.1442 -0.0165 36 VAL G O 3489 C CB . VAL C 36 ? 0.7390 0.5827 1.0234 -0.1009 0.1474 -0.0534 36 VAL G CB 3490 C CG1 . VAL C 36 ? 0.6117 0.5020 0.8995 -0.1055 0.1386 -0.0575 36 VAL G CG1 3491 C CG2 . VAL C 36 ? 0.7619 0.5778 1.0477 -0.1212 0.1516 -0.0672 36 VAL G CG2 3492 N N . ILE C 37 ? 0.7278 0.6156 1.0068 -0.0795 0.1408 -0.0090 37 ILE G N 3493 C CA . ILE C 37 ? 0.6989 0.6084 0.9732 -0.0649 0.1339 0.0029 37 ILE G CA 3494 C C . ILE C 37 ? 0.6553 0.5998 0.9322 -0.0643 0.1260 -0.0085 37 ILE G C 3495 O O . ILE C 37 ? 0.5980 0.5582 0.8780 -0.0765 0.1246 -0.0189 37 ILE G O 3496 C CB . ILE C 37 ? 0.6397 0.5526 0.9050 -0.0688 0.1352 0.0198 37 ILE G CB 3497 C CG1 . ILE C 37 ? 0.6546 0.5286 0.9133 -0.0710 0.1434 0.0336 37 ILE G CG1 3498 C CG2 . ILE C 37 ? 0.5477 0.4813 0.8051 -0.0552 0.1262 0.0302 37 ILE G CG2 3499 C CD1 . ILE C 37 ? 0.7737 0.6486 1.0174 -0.0736 0.1458 0.0524 37 ILE G CD1 3500 N N . PHE C 38 ? 0.6678 0.6253 0.9444 -0.0504 0.1203 -0.0056 38 PHE G N 3501 C CA . PHE C 38 ? 0.5313 0.5182 0.8069 -0.0502 0.1127 -0.0126 38 PHE G CA 3502 C C . PHE C 38 ? 0.5158 0.5189 0.7871 -0.0415 0.1052 0.0002 38 PHE G C 3503 O O . PHE C 38 ? 0.5229 0.5186 0.7951 -0.0311 0.1043 0.0120 38 PHE G O 3504 C CB . PHE C 38 ? 0.4309 0.4198 0.7099 -0.0464 0.1140 -0.0257 38 PHE G CB 3505 C CG . PHE C 38 ? 0.4513 0.4247 0.7299 -0.0566 0.1191 -0.0411 38 PHE G CG 3506 C CD1 . PHE C 38 ? 0.4376 0.4256 0.7128 -0.0682 0.1142 -0.0524 38 PHE G CD1 3507 C CD2 . PHE C 38 ? 0.4452 0.3877 0.7263 -0.0545 0.1275 -0.0444 38 PHE G CD2 3508 C CE1 . PHE C 38 ? 0.5270 0.5028 0.8014 -0.0792 0.1165 -0.0673 38 PHE G CE1 3509 C CE2 . PHE C 38 ? 0.5548 0.4805 0.8336 -0.0661 0.1311 -0.0603 38 PHE G CE2 3510 C CZ . PHE C 38 ? 0.5254 0.4695 0.8010 -0.0793 0.1250 -0.0720 38 PHE G CZ 3511 N N . ARG C 39 ? 0.3870 0.4107 0.6529 -0.0456 0.0984 -0.0026 39 ARG G N 3512 C CA . ARG C 39 ? 0.4377 0.4757 0.6966 -0.0406 0.0897 0.0060 39 ARG G CA 3513 C C . ARG C 39 ? 0.4826 0.5373 0.7402 -0.0430 0.0835 -0.0024 39 ARG G C 3514 O O . ARG C 39 ? 0.4059 0.4622 0.6642 -0.0489 0.0850 -0.0135 39 ARG G O 3515 C CB . ARG C 39 ? 0.4342 0.4727 0.6815 -0.0442 0.0889 0.0123 39 ARG G CB 3516 C CG . ARG C 39 ? 0.4907 0.5109 0.7350 -0.0454 0.0970 0.0219 39 ARG G CG 3517 C CD . ARG C 39 ? 0.3859 0.4112 0.6166 -0.0497 0.0985 0.0264 39 ARG G CD 3518 N NE . ARG C 39 ? 0.3861 0.3945 0.6110 -0.0539 0.1085 0.0366 39 ARG G NE 3519 C CZ . ARG C 39 ? 0.4665 0.4626 0.6758 -0.0484 0.1075 0.0521 39 ARG G CZ 3520 N NH1 . ARG C 39 ? 0.5619 0.5641 0.7631 -0.0384 0.0957 0.0579 39 ARG G NH1 3521 N NH2 . ARG C 39 ? 0.4849 0.4626 0.6862 -0.0540 0.1178 0.0624 39 ARG G NH2 3522 N N . PRO C 40 ? 0.4724 0.5391 0.7268 -0.0397 0.0755 0.0030 40 PRO G N 3523 C CA . PRO C 40 ? 0.5079 0.5861 0.7572 -0.0442 0.0694 -0.0029 40 PRO G CA 3524 C C . PRO C 40 ? 0.4510 0.5277 0.6902 -0.0492 0.0666 -0.0085 40 PRO G C 3525 O O . PRO C 40 ? 0.5574 0.6305 0.7926 -0.0488 0.0678 -0.0056 40 PRO G O 3526 C CB . PRO C 40 ? 0.4937 0.5817 0.7409 -0.0422 0.0606 0.0056 40 PRO G CB 3527 C CG . PRO C 40 ? 0.5085 0.5912 0.7553 -0.0362 0.0599 0.0157 40 PRO G CG 3528 C CD . PRO C 40 ? 0.5065 0.5762 0.7620 -0.0326 0.0705 0.0152 40 PRO G CD 3529 N N . SER C 41 ? 0.4691 0.5496 0.7041 -0.0531 0.0632 -0.0159 41 SER G N 3530 C CA . SER C 41 ? 0.4510 0.5321 0.6822 -0.0556 0.0608 -0.0228 41 SER G CA 3531 C C . SER C 41 ? 0.3670 0.4485 0.5911 -0.0527 0.0569 -0.0198 41 SER G C 3532 O O . SER C 41 ? 0.4645 0.5436 0.6781 -0.0509 0.0507 -0.0152 41 SER G O 3533 C CB . SER C 41 ? 0.5450 0.6283 0.7678 -0.0585 0.0545 -0.0282 41 SER G CB 3534 O OG . SER C 41 ? 0.6073 0.6934 0.8285 -0.0584 0.0496 -0.0341 41 SER G OG 3535 N N . GLY C 42 ? 0.4426 0.5275 0.6725 -0.0531 0.0612 -0.0235 42 GLY G N 3536 C CA . GLY C 42 ? 0.3835 0.4716 0.6076 -0.0490 0.0600 -0.0237 42 GLY G CA 3537 C C . GLY C 42 ? 0.4953 0.5883 0.7171 -0.0457 0.0520 -0.0308 42 GLY G C 3538 O O . GLY C 42 ? 0.5094 0.6071 0.7301 -0.0401 0.0523 -0.0335 42 GLY G O 3539 N N . GLY C 43 ? 0.3603 0.4520 0.5803 -0.0479 0.0452 -0.0338 43 GLY G N 3540 C CA . GLY C 43 ? 0.3205 0.4131 0.5351 -0.0437 0.0353 -0.0382 43 GLY G CA 3541 C C . GLY C 43 ? 0.5218 0.5990 0.7169 -0.0404 0.0270 -0.0341 43 GLY G C 3542 O O . GLY C 43 ? 0.5775 0.6473 0.7648 -0.0402 0.0284 -0.0299 43 GLY G O 3543 N N . ASP C 44 ? 0.4662 0.5366 0.6514 -0.0390 0.0172 -0.0351 44 ASP G N 3544 C CA . ASP C 44 ? 0.4830 0.5335 0.6480 -0.0375 0.0084 -0.0312 44 ASP G CA 3545 C C . ASP C 44 ? 0.5108 0.5524 0.6629 -0.0449 0.0028 -0.0270 44 ASP G C 3546 O O . ASP C 44 ? 0.3813 0.4320 0.5386 -0.0523 0.0086 -0.0265 44 ASP G O 3547 C CB . ASP C 44 ? 0.5912 0.6351 0.7519 -0.0249 0.0016 -0.0354 44 ASP G CB 3548 C CG . ASP C 44 ? 0.7274 0.7856 0.9000 -0.0184 -0.0031 -0.0401 44 ASP G CG 3549 O OD1 . ASP C 44 ? 0.6790 0.7467 0.8564 -0.0257 -0.0032 -0.0403 44 ASP G OD1 3550 O OD2 . ASP C 44 ? 0.8366 0.8974 1.0140 -0.0055 -0.0071 -0.0445 44 ASP G OD2 3551 N N . TRP C 45 ? 0.5405 0.5621 0.6736 -0.0427 -0.0076 -0.0239 45 TRP G N 3552 C CA . TRP C 45 ? 0.6007 0.6114 0.7171 -0.0515 -0.0117 -0.0178 45 TRP G CA 3553 C C . TRP C 45 ? 0.6791 0.6986 0.7945 -0.0501 -0.0148 -0.0203 45 TRP G C 3554 O O . TRP C 45 ? 0.5142 0.5311 0.6167 -0.0592 -0.0135 -0.0164 45 TRP G O 3555 C CB . TRP C 45 ? 0.5428 0.5235 0.6359 -0.0512 -0.0222 -0.0121 45 TRP G CB 3556 C CG . TRP C 45 ? 0.5483 0.5171 0.6368 -0.0578 -0.0212 -0.0097 45 TRP G CG 3557 C CD1 . TRP C 45 ? 0.4957 0.4452 0.5757 -0.0510 -0.0267 -0.0126 45 TRP G CD1 3558 C CD2 . TRP C 45 ? 0.5403 0.5168 0.6326 -0.0725 -0.0151 -0.0048 45 TRP G CD2 3559 N NE1 . TRP C 45 ? 0.5193 0.4625 0.5950 -0.0625 -0.0261 -0.0100 45 TRP G NE1 3560 C CE2 . TRP C 45 ? 0.5058 0.4679 0.5915 -0.0756 -0.0195 -0.0045 45 TRP G CE2 3561 C CE3 . TRP C 45 ? 0.5034 0.4988 0.6046 -0.0825 -0.0064 -0.0015 45 TRP G CE3 3562 C CZ2 . TRP C 45 ? 0.4772 0.4471 0.5682 -0.0894 -0.0174 -0.0002 45 TRP G CZ2 3563 C CZ3 . TRP C 45 ? 0.4861 0.4903 0.5947 -0.0941 -0.0022 0.0029 45 TRP G CZ3 3564 C CH2 . TRP C 45 ? 0.6319 0.6250 0.7368 -0.0979 -0.0088 0.0041 45 TRP G CH2 3565 N N . ARG C 46 ? 0.4968 0.5283 0.6252 -0.0395 -0.0188 -0.0269 46 ARG G N 3566 C CA . ARG C 46 ? 0.4508 0.4947 0.5806 -0.0393 -0.0239 -0.0308 46 ARG G CA 3567 C C . ARG C 46 ? 0.4440 0.5023 0.5821 -0.0501 -0.0127 -0.0352 46 ARG G C 3568 O O . ARG C 46 ? 0.5255 0.5824 0.6489 -0.0565 -0.0141 -0.0354 46 ARG G O 3569 C CB . ARG C 46 ? 0.5191 0.5799 0.6688 -0.0268 -0.0302 -0.0377 46 ARG G CB 3570 C CG . ARG C 46 ? 0.6486 0.7235 0.7996 -0.0255 -0.0412 -0.0418 46 ARG G CG 3571 C CD . ARG C 46 ? 0.9762 1.0802 1.1590 -0.0168 -0.0439 -0.0505 46 ARG G CD 3572 N NE . ARG C 46 ? 1.2328 1.3358 1.4210 0.0011 -0.0533 -0.0494 46 ARG G NE 3573 C CZ . ARG C 46 ? 1.1511 1.2599 1.3560 0.0100 -0.0452 -0.0524 46 ARG G CZ 3574 N NH1 . ARG C 46 ? 1.1550 1.2704 1.3709 0.0017 -0.0287 -0.0548 46 ARG G NH1 3575 N NH2 . ARG C 46 ? 1.0170 1.1234 1.2254 0.0285 -0.0534 -0.0530 46 ARG G NH2 3576 N N . ASP C 47 ? 0.4802 0.5494 0.6387 -0.0516 -0.0010 -0.0386 47 ASP G N 3577 C CA . ASP C 47 ? 0.4141 0.4913 0.5801 -0.0599 0.0101 -0.0428 47 ASP G CA 3578 C C . ASP C 47 ? 0.4982 0.5666 0.6477 -0.0672 0.0150 -0.0377 47 ASP G C 3579 O O . ASP C 47 ? 0.5172 0.5879 0.6596 -0.0728 0.0194 -0.0421 47 ASP G O 3580 C CB . ASP C 47 ? 0.4534 0.5376 0.6403 -0.0594 0.0212 -0.0438 47 ASP G CB 3581 C CG . ASP C 47 ? 0.7993 0.8948 1.0034 -0.0539 0.0201 -0.0480 47 ASP G CG 3582 O OD1 . ASP C 47 ? 0.8046 0.8977 1.0066 -0.0461 0.0151 -0.0454 47 ASP G OD1 3583 O OD2 . ASP C 47 ? 0.8820 0.9885 1.1020 -0.0580 0.0251 -0.0544 47 ASP G OD2 3584 N N . ILE C 48 ? 0.4874 0.5467 0.6306 -0.0682 0.0149 -0.0293 48 ILE G N 3585 C CA . ILE C 48 ? 0.5120 0.5690 0.6457 -0.0769 0.0214 -0.0239 48 ILE G CA 3586 C C . ILE C 48 ? 0.5903 0.6388 0.6983 -0.0821 0.0170 -0.0219 48 ILE G C 3587 O O . ILE C 48 ? 0.7119 0.7659 0.8132 -0.0884 0.0261 -0.0238 48 ILE G O 3588 C CB . ILE C 48 ? 0.6268 0.6773 0.7607 -0.0793 0.0199 -0.0157 48 ILE G CB 3589 C CG1 . ILE C 48 ? 0.4479 0.5083 0.6035 -0.0748 0.0252 -0.0172 48 ILE G CG1 3590 C CG2 . ILE C 48 ? 0.3444 0.3960 0.4704 -0.0905 0.0255 -0.0091 48 ILE G CG2 3591 C CD1 . ILE C 48 ? 0.5161 0.5710 0.6708 -0.0770 0.0210 -0.0110 48 ILE G CD1 3592 N N . ALA C 49 ? 0.5357 0.5699 0.6272 -0.0783 0.0032 -0.0181 49 ALA G N 3593 C CA . ALA C 49 ? 0.5272 0.5488 0.5886 -0.0831 -0.0030 -0.0129 49 ALA G CA 3594 C C . ALA C 49 ? 0.6818 0.7135 0.7367 -0.0835 -0.0029 -0.0216 49 ALA G C 3595 O O . ALA C 49 ? 0.7150 0.7414 0.7439 -0.0909 -0.0008 -0.0191 49 ALA G O 3596 C CB . ALA C 49 ? 0.4935 0.4940 0.5393 -0.0758 -0.0196 -0.0062 49 ALA G CB 3597 N N . ARG C 50 ? 0.6542 0.7001 0.7303 -0.0772 -0.0047 -0.0321 50 ARG G N 3598 C CA . ARG C 50 ? 0.6213 0.6759 0.6916 -0.0794 -0.0069 -0.0423 50 ARG G CA 3599 C C . ARG C 50 ? 0.7511 0.8115 0.8232 -0.0869 0.0101 -0.0502 50 ARG G C 3600 O O . ARG C 50 ? 0.8557 0.9190 0.9169 -0.0905 0.0095 -0.0602 50 ARG G O 3601 C CB . ARG C 50 ? 0.6036 0.6728 0.6987 -0.0726 -0.0152 -0.0509 50 ARG G CB 3602 C CG . ARG C 50 ? 0.8208 0.8883 0.9141 -0.0622 -0.0333 -0.0458 50 ARG G CG 3603 C CD . ARG C 50 ? 0.9908 1.0806 1.1133 -0.0566 -0.0398 -0.0553 50 ARG G CD 3604 N NE . ARG C 50 ? 1.0979 1.1982 1.2123 -0.0593 -0.0528 -0.0623 50 ARG G NE 3605 C CZ . ARG C 50 ? 1.1154 1.2220 1.2266 -0.0501 -0.0725 -0.0602 50 ARG G CZ 3606 N NH1 . ARG C 50 ? 1.0260 1.1268 1.1419 -0.0364 -0.0797 -0.0518 50 ARG G NH1 3607 N NH2 . ARG C 50 ? 1.1843 1.3025 1.2873 -0.0540 -0.0858 -0.0670 50 ARG G NH2 3608 N N . CYS C 51 ? 0.7966 0.8588 0.8817 -0.0886 0.0243 -0.0467 51 CYS G N 3609 C CA . CYS C 51 ? 0.6935 0.7608 0.7800 -0.0928 0.0411 -0.0537 51 CYS G CA 3610 C C . CYS C 51 ? 0.6520 0.7145 0.7062 -0.1001 0.0460 -0.0513 51 CYS G C 3611 O O . CYS C 51 ? 0.7423 0.8066 0.7854 -0.1029 0.0556 -0.0618 51 CYS G O 3612 C CB . CYS C 51 ? 0.6933 0.7674 0.8054 -0.0904 0.0530 -0.0494 51 CYS G CB 3613 S SG . CYS C 51 ? 0.8168 0.8949 0.9616 -0.0830 0.0524 -0.0532 51 CYS G SG 3614 N N . GLN C 52 ? 0.7861 0.8404 0.8227 -0.1040 0.0403 -0.0378 52 GLN G N 3615 C CA . GLN C 52 ? 0.7723 0.8201 0.7747 -0.1132 0.0454 -0.0319 52 GLN G CA 3616 C C . GLN C 52 ? 0.6537 0.7154 0.6635 -0.1181 0.0683 -0.0351 52 GLN G C 3617 O O . GLN C 52 ? 0.8384 0.9015 0.8250 -0.1226 0.0788 -0.0411 52 GLN G O 3618 C CB . GLN C 52 ? 0.8369 0.8768 0.8060 -0.1142 0.0356 -0.0378 52 GLN G CB 3619 C CG . GLN C 52 ? 0.9003 0.9320 0.8664 -0.1071 0.0119 -0.0349 52 GLN G CG 3620 C CD . GLN C 52 ? 0.9666 0.9936 0.8996 -0.1083 -0.0008 -0.0399 52 GLN G CD 3621 O OE1 . GLN C 52 ? 0.9731 0.9876 0.8663 -0.1145 -0.0021 -0.0317 52 GLN G OE1 3622 N NE2 . GLN C 52 ? 1.0092 1.0465 0.9573 -0.1037 -0.0106 -0.0529 52 GLN G NE2 3623 N N . ILE C 53 ? 0.6852 0.7585 0.7275 -0.1162 0.0758 -0.0314 53 ILE G N 3624 C CA . ILE C 53 ? 0.6691 0.7611 0.7265 -0.1186 0.0963 -0.0328 53 ILE G CA 3625 C C . ILE C 53 ? 0.7213 0.8225 0.7991 -0.1236 0.0967 -0.0196 53 ILE G C 3626 O O . ILE C 53 ? 0.8655 0.9881 0.9706 -0.1225 0.1098 -0.0200 53 ILE G O 3627 C CB . ILE C 53 ? 0.6869 0.7883 0.7706 -0.1078 0.1062 -0.0468 53 ILE G CB 3628 C CG1 . ILE C 53 ? 0.6351 0.7361 0.7490 -0.0998 0.0964 -0.0448 53 ILE G CG1 3629 C CG2 . ILE C 53 ? 0.6514 0.7416 0.7142 -0.1057 0.1054 -0.0618 53 ILE G CG2 3630 C CD1 . ILE C 53 ? 0.4361 0.5439 0.5773 -0.0898 0.1071 -0.0542 53 ILE G CD1 3631 N N . ALA C 54 ? 0.7062 0.7909 0.7707 -0.1292 0.0816 -0.0083 54 ALA G N 3632 C CA . ALA C 54 ? 0.6660 0.7539 0.7502 -0.1334 0.0769 0.0014 54 ALA G CA 3633 C C . ALA C 54 ? 0.8680 0.9666 0.9499 -0.1492 0.0873 0.0116 54 ALA G C 3634 O O . ALA C 54 ? 1.1080 1.2305 1.2205 -0.1517 0.0949 0.0133 54 ALA G O 3635 C CB . ALA C 54 ? 0.5034 0.5656 0.5745 -0.1314 0.0569 0.0070 54 ALA G CB 3636 N N . GLY C 55 ? 0.7388 0.8211 0.7856 -0.1608 0.0871 0.0196 55 GLY G N 3637 C CA . GLY C 55 ? 0.6925 0.7804 0.7360 -0.1796 0.0949 0.0320 55 GLY G CA 3638 C C . GLY C 55 ? 0.7256 0.7861 0.7596 -0.1878 0.0774 0.0434 55 GLY G C 3639 O O . GLY C 55 ? 0.7477 0.7822 0.7708 -0.1776 0.0600 0.0421 55 GLY G O 3640 N N . THR C 56 ? 0.7739 0.8406 0.8134 -0.2069 0.0827 0.0541 56 THR G N 3641 C CA . THR C 56 ? 0.7341 0.7678 0.7591 -0.2174 0.0665 0.0645 56 THR G CA 3642 C C . THR C 56 ? 0.6934 0.7299 0.7474 -0.2111 0.0540 0.0596 56 THR G C 3643 O O . THR C 56 ? 0.6491 0.6513 0.6877 -0.2125 0.0378 0.0633 56 THR G O 3644 C CB . THR C 56 ? 0.7878 0.8218 0.8041 -0.2444 0.0757 0.0784 56 THR G CB 3645 O OG1 . THR C 56 ? 0.9056 0.9832 0.9655 -0.2531 0.0866 0.0765 56 THR G OG1 3646 C CG2 . THR C 56 ? 0.7335 0.7663 0.7173 -0.2519 0.0907 0.0840 56 THR G CG2 3647 N N . VAL C 57 ? 0.6378 0.7114 0.7303 -0.2034 0.0609 0.0516 57 VAL G N 3648 C CA . VAL C 57 ? 0.7494 0.8273 0.8658 -0.1999 0.0492 0.0487 57 VAL G CA 3649 C C . VAL C 57 ? 0.6685 0.7294 0.7804 -0.1782 0.0382 0.0398 57 VAL G C 3650 O O . VAL C 57 ? 0.7377 0.8079 0.8532 -0.1637 0.0444 0.0323 57 VAL G O 3651 C CB . VAL C 57 ? 0.7456 0.8710 0.9050 -0.2009 0.0594 0.0463 57 VAL G CB 3652 C CG1 . VAL C 57 ? 0.7353 0.8887 0.9043 -0.1950 0.0795 0.0423 57 VAL G CG1 3653 C CG2 . VAL C 57 ? 0.4402 0.5727 0.6214 -0.1853 0.0491 0.0395 57 VAL G CG2 3654 N N . VAL C 58 ? 0.5637 0.5984 0.6665 -0.1772 0.0225 0.0400 58 VAL G N 3655 C CA . VAL C 58 ? 0.5418 0.5624 0.6416 -0.1578 0.0134 0.0319 58 VAL G CA 3656 C C . VAL C 58 ? 0.5299 0.5770 0.6598 -0.1500 0.0146 0.0264 58 VAL G C 3657 O O . VAL C 58 ? 0.5788 0.6326 0.7196 -0.1588 0.0092 0.0288 58 VAL G O 3658 C CB . VAL C 58 ? 0.6260 0.6055 0.7006 -0.1580 -0.0022 0.0335 58 VAL G CB 3659 C CG1 . VAL C 58 ? 0.5620 0.5338 0.6380 -0.1376 -0.0090 0.0243 58 VAL G CG1 3660 C CG2 . VAL C 58 ? 0.6008 0.5502 0.6432 -0.1637 -0.0048 0.0412 58 VAL G CG2 3661 N N . SER C 59 ? 0.4555 0.5167 0.5976 -0.1345 0.0209 0.0196 59 SER G N 3662 C CA . SER C 59 ? 0.4454 0.5285 0.6133 -0.1260 0.0228 0.0164 59 SER G CA 3663 C C . SER C 59 ? 0.5453 0.6234 0.7134 -0.1093 0.0238 0.0091 59 SER G C 3664 O O . SER C 59 ? 0.6105 0.6781 0.7661 -0.1048 0.0254 0.0054 59 SER G O 3665 C CB . SER C 59 ? 0.3958 0.5132 0.5901 -0.1289 0.0354 0.0182 59 SER G CB 3666 O OG . SER C 59 ? 0.5840 0.7063 0.7755 -0.1247 0.0480 0.0142 59 SER G OG 3667 N N . THR C 60 ? 0.4545 0.5408 0.6366 -0.1014 0.0222 0.0077 60 THR G N 3668 C CA . THR C 60 ? 0.4051 0.4899 0.5915 -0.0882 0.0252 0.0024 60 THR G CA 3669 C C . THR C 60 ? 0.5109 0.6161 0.7207 -0.0824 0.0345 0.0029 60 THR G C 3670 O O . THR C 60 ? 0.4717 0.5946 0.6969 -0.0856 0.0353 0.0078 60 THR G O 3671 C CB . THR C 60 ? 0.4008 0.4728 0.5784 -0.0829 0.0167 0.0013 60 THR G CB 3672 O OG1 . THR C 60 ? 0.5235 0.6037 0.7071 -0.0868 0.0113 0.0061 60 THR G OG1 3673 C CG2 . THR C 60 ? 0.4179 0.4661 0.5730 -0.0843 0.0081 -0.0009 60 THR G CG2 3674 N N . GLN C 61 ? 0.3894 0.4917 0.6030 -0.0736 0.0408 -0.0022 61 GLN G N 3675 C CA . GLN C 61 ? 0.3712 0.4832 0.6035 -0.0660 0.0496 -0.0024 61 GLN G CA 3676 C C . GLN C 61 ? 0.5250 0.6511 0.7695 -0.0668 0.0597 -0.0040 61 GLN G C 3677 O O . GLN C 61 ? 0.4518 0.5755 0.7007 -0.0619 0.0693 -0.0104 61 GLN G O 3678 C CB . GLN C 61 ? 0.3386 0.4566 0.5799 -0.0616 0.0445 0.0051 61 GLN G CB 3679 C CG . GLN C 61 ? 0.2763 0.3806 0.5030 -0.0596 0.0374 0.0059 61 GLN G CG 3680 C CD . GLN C 61 ? 0.4620 0.5701 0.6940 -0.0536 0.0345 0.0134 61 GLN G CD 3681 O OE1 . GLN C 61 ? 0.4361 0.5569 0.6855 -0.0491 0.0368 0.0184 61 GLN G OE1 3682 N NE2 . GLN C 61 ? 0.4560 0.5532 0.6718 -0.0522 0.0298 0.0144 61 GLN G NE2 3683 N N . LEU C 62 ? 0.3779 0.5193 0.6284 -0.0737 0.0586 0.0010 62 LEU G N 3684 C CA . LEU C 62 ? 0.4115 0.5712 0.6746 -0.0751 0.0705 -0.0005 62 LEU G CA 3685 C C . LEU C 62 ? 0.5135 0.6712 0.7587 -0.0884 0.0715 -0.0004 62 LEU G C 3686 O O . LEU C 62 ? 0.5501 0.7006 0.7835 -0.0984 0.0611 0.0051 62 LEU G O 3687 C CB . LEU C 62 ? 0.4359 0.6226 0.7266 -0.0726 0.0705 0.0063 62 LEU G CB 3688 C CG . LEU C 62 ? 0.4525 0.6406 0.7590 -0.0589 0.0670 0.0098 62 LEU G CG 3689 C CD1 . LEU C 62 ? 0.3947 0.6136 0.7290 -0.0569 0.0635 0.0174 62 LEU G CD1 3690 C CD2 . LEU C 62 ? 0.4576 0.6357 0.7687 -0.0465 0.0791 0.0029 62 LEU G CD2 3691 N N . PHE C 63 ? 0.4122 0.5733 0.6525 -0.0888 0.0841 -0.0063 63 PHE G N 3692 C CA . PHE C 63 ? 0.3798 0.5401 0.6007 -0.1019 0.0876 -0.0045 63 PHE G CA 3693 C C . PHE C 63 ? 0.5492 0.7393 0.7906 -0.1090 0.0972 0.0009 63 PHE G C 3694 O O . PHE C 63 ? 0.6374 0.8490 0.9006 -0.1006 0.1108 -0.0035 63 PHE G O 3695 C CB . PHE C 63 ? 0.3865 0.5361 0.5871 -0.0998 0.0963 -0.0139 63 PHE G CB 3696 C CG . PHE C 63 ? 0.4553 0.5802 0.6364 -0.0963 0.0850 -0.0185 63 PHE G CG 3697 C CD1 . PHE C 63 ? 0.5024 0.6100 0.6593 -0.1032 0.0726 -0.0135 63 PHE G CD1 3698 C CD2 . PHE C 63 ? 0.4714 0.5906 0.6598 -0.0862 0.0867 -0.0278 63 PHE G CD2 3699 C CE1 . PHE C 63 ? 0.6928 0.7836 0.8371 -0.0981 0.0619 -0.0179 63 PHE G CE1 3700 C CE2 . PHE C 63 ? 0.5562 0.6591 0.7319 -0.0845 0.0767 -0.0322 63 PHE G CE2 3701 C CZ . PHE C 63 ? 0.5818 0.6735 0.7373 -0.0895 0.0642 -0.0275 63 PHE G CZ 3702 N N . LEU C 64 ? 0.5400 0.7316 0.7764 -0.1242 0.0902 0.0099 64 LEU G N 3703 C CA . LEU C 64 ? 0.5641 0.7874 0.8220 -0.1355 0.0983 0.0161 64 LEU G CA 3704 C C . LEU C 64 ? 0.5216 0.7440 0.7576 -0.1493 0.1110 0.0178 64 LEU G C 3705 O O . LEU C 64 ? 0.5549 0.7472 0.7559 -0.1583 0.1038 0.0212 64 LEU G O 3706 C CB . LEU C 64 ? 0.5535 0.7782 0.8187 -0.1478 0.0826 0.0249 64 LEU G CB 3707 C CG . LEU C 64 ? 0.5620 0.8068 0.8586 -0.1391 0.0734 0.0262 64 LEU G CG 3708 C CD1 . LEU C 64 ? 0.4501 0.6996 0.7609 -0.1166 0.0798 0.0195 64 LEU G CD1 3709 C CD2 . LEU C 64 ? 0.6235 0.8419 0.9031 -0.1433 0.0532 0.0288 64 LEU G CD2 3710 N N . ASN C 65 ? 0.4597 0.7148 0.7150 -0.1496 0.1304 0.0158 65 ASN G N 3711 C CA . ASN C 65 ? 0.5485 0.8095 0.7849 -0.1656 0.1455 0.0194 65 ASN G CA 3712 C C . ASN C 65 ? 0.6184 0.8442 0.8076 -0.1649 0.1461 0.0151 65 ASN G C 3713 O O . ASN C 65 ? 0.7246 0.9348 0.8815 -0.1809 0.1472 0.0227 65 ASN G O 3714 C CB . ASN C 65 ? 0.5315 0.7940 0.7664 -0.1896 0.1382 0.0329 65 ASN G CB 3715 C CG . ASN C 65 ? 0.3932 0.7003 0.6763 -0.1951 0.1402 0.0371 65 ASN G CG 3716 N ND2 . ASN C 65 ? 0.4532 0.7619 0.7355 -0.2193 0.1344 0.0480 65 ASN G ND2 3717 N N . GLY C 66 ? 0.6161 0.8285 0.8005 -0.1469 0.1443 0.0034 66 GLY G N 3718 C CA . GLY C 66 ? 0.6255 0.8080 0.7691 -0.1451 0.1414 -0.0023 66 GLY G CA 3719 C C . GLY C 66 ? 0.7463 0.9381 0.8790 -0.1401 0.1618 -0.0140 66 GLY G C 3720 O O . GLY C 66 ? 0.6599 0.8819 0.8136 -0.1394 0.1814 -0.0166 66 GLY G O 3721 N N . SER C 67 ? 0.8321 0.9985 0.9313 -0.1361 0.1566 -0.0222 67 SER G N 3722 C CA . SER C 67 ? 0.7371 0.9059 0.8172 -0.1322 0.1739 -0.0357 67 SER G CA 3723 C C . SER C 67 ? 0.7633 0.9440 0.8755 -0.1147 0.1843 -0.0503 67 SER G C 3724 O O . SER C 67 ? 0.9292 1.1035 1.0647 -0.1046 0.1725 -0.0519 67 SER G O 3725 C CB . SER C 67 ? 0.8261 0.9645 0.8614 -0.1336 0.1617 -0.0411 67 SER G CB 3726 O OG . SER C 67 ? 1.0228 1.1443 1.0281 -0.1464 0.1483 -0.0262 67 SER G OG 3727 N N . LEU C 68 ? 0.7687 0.9649 0.8798 -0.1108 0.2076 -0.0607 68 LEU G N 3728 C CA . LEU C 68 ? 0.7522 0.9535 0.8874 -0.0925 0.2197 -0.0765 68 LEU G CA 3729 C C . LEU C 68 ? 0.7483 0.9252 0.8455 -0.0895 0.2250 -0.0951 68 LEU G C 3730 O O . LEU C 68 ? 0.7481 0.9143 0.8013 -0.1012 0.2253 -0.0957 68 LEU G O 3731 C CB . LEU C 68 ? 0.6887 0.9285 0.8575 -0.0866 0.2434 -0.0769 68 LEU G CB 3732 C CG . LEU C 68 ? 0.6047 0.8736 0.8202 -0.0869 0.2372 -0.0615 68 LEU G CG 3733 C CD1 . LEU C 68 ? 0.4642 0.7787 0.7121 -0.0849 0.2607 -0.0606 68 LEU G CD1 3734 C CD2 . LEU C 68 ? 0.5175 0.7768 0.7628 -0.0704 0.2233 -0.0629 68 LEU G CD2 3735 N N . ALA C 69 ? 0.7473 0.9124 0.8594 -0.0742 0.2277 -0.1099 69 ALA G N 3736 C CA . ALA C 69 ? 0.8229 0.9640 0.9022 -0.0712 0.2338 -0.1308 69 ALA G CA 3737 C C . ALA C 69 ? 0.8277 0.9840 0.9006 -0.0648 0.2633 -0.1437 69 ALA G C 3738 O O . ALA C 69 ? 0.9381 1.1268 1.0426 -0.0594 0.2794 -0.1372 69 ALA G O 3739 C CB . ALA C 69 ? 0.7418 0.8594 0.8386 -0.0597 0.2250 -0.1415 69 ALA G CB 3740 N N . GLU C 70 ? 0.9217 1.0563 0.9537 -0.0654 0.2705 -0.1633 70 GLU G N 3741 C CA . GLU C 70 ? 0.9823 1.1292 0.9986 -0.0602 0.3001 -0.1774 70 GLU G CA 3742 C C . GLU C 70 ? 1.0559 1.2080 1.1114 -0.0371 0.3186 -0.1914 70 GLU G C 3743 O O . GLU C 70 ? 1.2052 1.3912 1.2883 -0.0281 0.3410 -0.1895 70 GLU G O 3744 C CB . GLU C 70 ? 0.9742 1.0934 0.9279 -0.0687 0.3007 -0.1952 70 GLU G CB 3745 N N . GLU C 71 ? 1.0314 1.1504 1.0911 -0.0271 0.3096 -0.2052 71 GLU G N 3746 C CA . GLU C 71 ? 1.1371 1.2504 1.2268 -0.0035 0.3264 -0.2200 71 GLU G CA 3747 C C . GLU C 71 ? 1.0316 1.1349 1.1651 0.0069 0.3100 -0.2098 71 GLU G C 3748 O O . GLU C 71 ? 0.9576 1.0834 1.1366 0.0240 0.3187 -0.2026 71 GLU G O 3749 C CB . GLU C 71 ? 1.1967 1.2714 1.2452 0.0003 0.3361 -0.2497 71 GLU G CB 3750 C CG . GLU C 71 ? 1.2646 1.3214 1.3391 0.0259 0.3523 -0.2673 71 GLU G CG 3751 C CD . GLU C 71 ? 1.4029 1.4986 1.5087 0.0455 0.3817 -0.2683 71 GLU G CD 3752 O OE1 . GLU C 71 ? 1.3487 1.4357 1.4858 0.0704 0.3936 -0.2781 71 GLU G OE1 3753 O OE2 . GLU C 71 ? 1.5043 1.6396 1.6047 0.0360 0.3931 -0.2589 71 GLU G OE2 3754 N N . GLU C 72 ? 0.9656 1.0378 1.0872 -0.0026 0.2868 -0.2087 72 GLU G N 3755 C CA . GLU C 72 ? 0.9507 1.0089 1.1074 0.0060 0.2731 -0.1998 72 GLU G CA 3756 C C . GLU C 72 ? 0.9452 1.0102 1.1060 -0.0096 0.2480 -0.1791 72 GLU G C 3757 O O . GLU C 72 ? 0.9070 0.9764 1.0387 -0.0269 0.2382 -0.1754 72 GLU G O 3758 C CB . GLU C 72 ? 0.9372 0.9474 1.0808 0.0107 0.2717 -0.2197 72 GLU G CB 3759 C CG . GLU C 72 ? 0.9298 0.9141 1.0271 -0.0091 0.2599 -0.2335 72 GLU G CG 3760 N N . VAL C 73 ? 0.8256 0.8907 1.0215 -0.0020 0.2379 -0.1653 73 VAL G N 3761 C CA . VAL C 73 ? 0.7346 0.8010 0.9337 -0.0146 0.2152 -0.1485 73 VAL G CA 3762 C C . VAL C 73 ? 0.7246 0.7611 0.8937 -0.0282 0.2025 -0.1591 73 VAL G C 3763 O O . VAL C 73 ? 0.7492 0.7556 0.9101 -0.0251 0.2066 -0.1757 73 VAL G O 3764 C CB . VAL C 73 ? 0.7357 0.8029 0.9725 -0.0030 0.2084 -0.1342 73 VAL G CB 3765 C CG1 . VAL C 73 ? 0.9598 0.9983 1.2075 0.0135 0.2182 -0.1458 73 VAL G CG1 3766 C CG2 . VAL C 73 ? 0.6354 0.6939 0.8702 -0.0150 0.1872 -0.1222 73 VAL G CG2 3767 N N . VAL C 74 ? 0.5745 0.6193 0.7272 -0.0435 0.1867 -0.1505 74 VAL G N 3768 C CA . VAL C 74 ? 0.6850 0.7100 0.8138 -0.0565 0.1719 -0.1589 74 VAL G CA 3769 C C . VAL C 74 ? 0.6838 0.7151 0.8273 -0.0627 0.1528 -0.1425 74 VAL G C 3770 O O . VAL C 74 ? 0.6747 0.7264 0.8286 -0.0624 0.1485 -0.1258 74 VAL G O 3771 C CB . VAL C 74 ? 0.6214 0.6483 0.7083 -0.0675 0.1710 -0.1680 74 VAL G CB 3772 C CG1 . VAL C 74 ? 0.6299 0.6772 0.7094 -0.0635 0.1886 -0.1652 74 VAL G CG1 3773 C CG2 . VAL C 74 ? 0.5409 0.5740 0.6145 -0.0803 0.1491 -0.1574 74 VAL G CG2 3774 N N . ILE C 75 ? 0.6043 0.6179 0.7497 -0.0685 0.1424 -0.1483 75 ILE G N 3775 C CA . ILE C 75 ? 0.5011 0.5203 0.6608 -0.0738 0.1265 -0.1358 75 ILE G CA 3776 C C . ILE C 75 ? 0.5448 0.5626 0.6845 -0.0870 0.1114 -0.1437 75 ILE G C 3777 O O . ILE C 75 ? 0.5930 0.5963 0.7150 -0.0933 0.1117 -0.1611 75 ILE G O 3778 C CB . ILE C 75 ? 0.5340 0.5382 0.7197 -0.0693 0.1286 -0.1328 75 ILE G CB 3779 C CG1 . ILE C 75 ? 0.6636 0.6390 0.8422 -0.0738 0.1331 -0.1516 75 ILE G CG1 3780 C CG2 . ILE C 75 ? 0.5266 0.5353 0.7332 -0.0544 0.1395 -0.1222 75 ILE G CG2 3781 C CD1 . ILE C 75 ? 0.5722 0.5285 0.7719 -0.0741 0.1333 -0.1474 75 ILE G CD1 3782 N N . ARG C 76 ? 0.5331 0.5662 0.6758 -0.0905 0.0970 -0.1314 76 ARG G N 3783 C CA . ARG C 76 ? 0.5468 0.5840 0.6758 -0.1002 0.0802 -0.1366 76 ARG G CA 3784 C C . ARG C 76 ? 0.7158 0.7644 0.8677 -0.1005 0.0685 -0.1257 76 ARG G C 3785 O O . ARG C 76 ? 0.7087 0.7630 0.8765 -0.0937 0.0715 -0.1119 76 ARG G O 3786 C CB . ARG C 76 ? 0.6180 0.6625 0.7153 -0.1023 0.0744 -0.1342 76 ARG G CB 3787 C CG . ARG C 76 ? 0.7495 0.7838 0.8177 -0.1041 0.0861 -0.1480 76 ARG G CG 3788 C CD . ARG C 76 ? 0.8031 0.8434 0.8359 -0.1077 0.0811 -0.1429 76 ARG G CD 3789 N NE . ARG C 76 ? 0.9902 1.0402 1.0276 -0.1029 0.0909 -0.1270 76 ARG G NE 3790 C CZ . ARG C 76 ? 1.0213 1.0738 1.0441 -0.1019 0.1084 -0.1282 76 ARG G CZ 3791 N NH1 . ARG C 76 ? 0.9589 1.0021 0.9575 -0.1035 0.1191 -0.1455 76 ARG G NH1 3792 N NH2 . ARG C 76 ? 0.8698 0.9349 0.9022 -0.1002 0.1157 -0.1129 76 ARG G NH2 3793 N N . SER C 77 ? 0.6751 0.7287 0.8288 -0.1087 0.0553 -0.1330 77 SER G N 3794 C CA . SER C 77 ? 0.6680 0.7371 0.8436 -0.1087 0.0448 -0.1248 77 SER G CA 3795 C C . SER C 77 ? 0.6504 0.7335 0.8191 -0.1150 0.0262 -0.1316 77 SER G C 3796 O O . SER C 77 ? 0.7595 0.8376 0.9156 -0.1242 0.0219 -0.1462 77 SER G O 3797 C CB . SER C 77 ? 0.5863 0.6508 0.7898 -0.1120 0.0525 -0.1256 77 SER G CB 3798 O OG . SER C 77 ? 0.5383 0.6220 0.7619 -0.1134 0.0435 -0.1203 77 SER G OG 3799 N N . GLU C 78 ? 0.5599 0.6601 0.7369 -0.1094 0.0143 -0.1215 78 GLU G N 3800 C CA . GLU C 78 ? 0.5726 0.6906 0.7497 -0.1124 -0.0053 -0.1264 78 GLU G CA 3801 C C . GLU C 78 ? 0.6277 0.7577 0.8319 -0.1237 -0.0078 -0.1380 78 GLU G C 3802 O O . GLU C 78 ? 0.4732 0.6173 0.6761 -0.1307 -0.0238 -0.1475 78 GLU G O 3803 C CB . GLU C 78 ? 0.6901 0.8219 0.8742 -0.1007 -0.0157 -0.1131 78 GLU G CB 3804 C CG . GLU C 78 ? 0.8453 0.9940 1.0237 -0.0984 -0.0384 -0.1149 78 GLU G CG 3805 N N . ASP C 79 ? 0.6596 0.7841 0.8873 -0.1267 0.0072 -0.1368 79 ASP G N 3806 C CA . ASP C 79 ? 0.4889 0.6201 0.7423 -0.1406 0.0086 -0.1463 79 ASP G CA 3807 C C . ASP C 79 ? 0.5274 0.6369 0.7915 -0.1427 0.0287 -0.1426 79 ASP G C 3808 O O . ASP C 79 ? 0.6902 0.8040 0.9685 -0.1352 0.0367 -0.1296 79 ASP G O 3809 C CB . ASP C 79 ? 0.4413 0.6073 0.7255 -0.1402 -0.0015 -0.1427 79 ASP G CB 3810 C CG . ASP C 79 ? 0.5883 0.7688 0.8992 -0.1587 -0.0041 -0.1545 79 ASP G CG 3811 O OD1 . ASP C 79 ? 0.5315 0.6880 0.8405 -0.1716 0.0066 -0.1622 79 ASP G OD1 3812 O OD2 . ASP C 79 ? 0.6833 0.8993 1.0185 -0.1604 -0.0172 -0.1562 79 ASP G OD2 3813 N N . TRP C 80 ? 0.5930 0.6770 0.8485 -0.1521 0.0364 -0.1540 80 TRP G N 3814 C CA . TRP C 80 ? 0.5914 0.6493 0.8541 -0.1516 0.0545 -0.1493 80 TRP G CA 3815 C C . TRP C 80 ? 0.5219 0.5880 0.8143 -0.1601 0.0597 -0.1428 80 TRP G C 3816 O O . TRP C 80 ? 0.5417 0.5906 0.8392 -0.1558 0.0733 -0.1321 80 TRP G O 3817 C CB . TRP C 80 ? 0.6192 0.6443 0.8664 -0.1593 0.0611 -0.1648 80 TRP G CB 3818 C CG . TRP C 80 ? 0.6807 0.6960 0.8972 -0.1503 0.0614 -0.1710 80 TRP G CG 3819 C CD1 . TRP C 80 ? 0.7145 0.7309 0.9073 -0.1566 0.0511 -0.1861 80 TRP G CD1 3820 C CD2 . TRP C 80 ? 0.7264 0.7326 0.9322 -0.1341 0.0728 -0.1617 80 TRP G CD2 3821 N NE1 . TRP C 80 ? 0.7624 0.7694 0.9282 -0.1456 0.0578 -0.1866 80 TRP G NE1 3822 C CE2 . TRP C 80 ? 0.6908 0.6934 0.8671 -0.1319 0.0713 -0.1719 80 TRP G CE2 3823 C CE3 . TRP C 80 ? 0.7162 0.7190 0.9346 -0.1219 0.0836 -0.1457 80 TRP G CE3 3824 C CZ2 . TRP C 80 ? 0.5929 0.5913 0.7559 -0.1188 0.0823 -0.1666 80 TRP G CZ2 3825 C CZ3 . TRP C 80 ? 0.7787 0.7781 0.9854 -0.1086 0.0917 -0.1409 80 TRP G CZ3 3826 C CH2 . TRP C 80 ? 0.7142 0.7128 0.8954 -0.1075 0.0920 -0.1513 80 TRP G CH2 3827 N N . ARG C 81 ? 0.5290 0.6226 0.8411 -0.1722 0.0493 -0.1485 81 ARG G N 3828 C CA . ARG C 81 ? 0.5848 0.6908 0.9272 -0.1839 0.0560 -0.1439 81 ARG G CA 3829 C C . ARG C 81 ? 0.6222 0.7582 0.9809 -0.1726 0.0572 -0.1296 81 ARG G C 3830 O O . ARG C 81 ? 0.6867 0.8330 1.0678 -0.1803 0.0668 -0.1234 81 ARG G O 3831 C CB . ARG C 81 ? 0.4677 0.5929 0.8286 -0.2052 0.0449 -0.1591 81 ARG G CB 3832 C CG . ARG C 81 ? 0.4923 0.5834 0.8391 -0.2216 0.0452 -0.1758 81 ARG G CG 3833 C CD . ARG C 81 ? 0.4878 0.6007 0.8572 -0.2465 0.0334 -0.1905 81 ARG G CD 3834 N N . ASP C 82 ? 0.5143 0.6626 0.8605 -0.1554 0.0487 -0.1245 82 ASP G N 3835 C CA . ASP C 82 ? 0.3832 0.5546 0.7403 -0.1426 0.0494 -0.1131 82 ASP G CA 3836 C C . ASP C 82 ? 0.3732 0.5205 0.7120 -0.1297 0.0604 -0.1000 82 ASP G C 3837 O O . ASP C 82 ? 0.3983 0.5329 0.7147 -0.1194 0.0560 -0.0981 82 ASP G O 3838 C CB . ASP C 82 ? 0.4271 0.6232 0.7813 -0.1321 0.0312 -0.1158 82 ASP G CB 3839 C CG . ASP C 82 ? 0.5563 0.7751 0.9230 -0.1178 0.0315 -0.1067 82 ASP G CG 3840 O OD1 . ASP C 82 ? 0.4783 0.6911 0.8485 -0.1147 0.0461 -0.0978 82 ASP G OD1 3841 O OD2 . ASP C 82 ? 0.7061 0.9467 1.0767 -0.1085 0.0165 -0.1088 82 ASP G OD2 3842 N N . ASN C 83 ? 0.3933 0.5362 0.7414 -0.1312 0.0743 -0.0904 83 ASN G N 3843 C CA . ASN C 83 ? 0.3781 0.5008 0.7094 -0.1194 0.0824 -0.0777 83 ASN G CA 3844 C C . ASN C 83 ? 0.4827 0.6183 0.8050 -0.1038 0.0756 -0.0718 83 ASN G C 3845 O O . ASN C 83 ? 0.5773 0.6988 0.8849 -0.0946 0.0793 -0.0623 83 ASN G O 3846 C CB . ASN C 83 ? 0.3269 0.4394 0.6654 -0.1253 0.0977 -0.0678 83 ASN G CB 3847 C CG . ASN C 83 ? 0.3814 0.5227 0.7373 -0.1273 0.1026 -0.0645 83 ASN G CG 3848 O OD1 . ASN C 83 ? 0.5503 0.7162 0.9102 -0.1178 0.0950 -0.0668 83 ASN G OD1 3849 N ND2 . ASN C 83 ? 0.4020 0.5387 0.7674 -0.1392 0.1165 -0.0586 83 ASN G ND2 3850 N N . ALA C 84 ? 0.4380 0.5989 0.7690 -0.1004 0.0648 -0.0775 84 ALA G N 3851 C CA . ALA C 84 ? 0.4511 0.6183 0.7714 -0.0853 0.0567 -0.0734 84 ALA G CA 3852 C C . ALA C 84 ? 0.4738 0.6298 0.7731 -0.0807 0.0444 -0.0755 84 ALA G C 3853 O O . ALA C 84 ? 0.4496 0.6030 0.7356 -0.0697 0.0376 -0.0709 84 ALA G O 3854 C CB . ALA C 84 ? 0.2777 0.4766 0.6187 -0.0808 0.0515 -0.0775 84 ALA G CB 3855 N N . LYS C 85 ? 0.5348 0.6825 0.8289 -0.0896 0.0422 -0.0827 85 LYS G N 3856 C CA . LYS C 85 ? 0.4554 0.5904 0.7255 -0.0870 0.0348 -0.0841 85 LYS G CA 3857 C C . LYS C 85 ? 0.4391 0.5518 0.6973 -0.0867 0.0461 -0.0794 85 LYS G C 3858 O O . LYS C 85 ? 0.4715 0.5738 0.7376 -0.0925 0.0566 -0.0812 85 LYS G O 3859 C CB . LYS C 85 ? 0.4709 0.6102 0.7378 -0.0962 0.0260 -0.0964 85 LYS G CB 3860 C CG . LYS C 85 ? 0.5956 0.7615 0.8770 -0.0965 0.0115 -0.1017 85 LYS G CG 3861 C CD . LYS C 85 ? 0.6145 0.7852 0.8836 -0.0827 -0.0010 -0.0949 85 LYS G CD 3862 C CE . LYS C 85 ? 0.7118 0.9118 0.9994 -0.0800 -0.0165 -0.1000 85 LYS G CE 3863 N NZ . LYS C 85 ? 0.6977 0.9008 0.9781 -0.0630 -0.0281 -0.0924 85 LYS G NZ 3864 N N . SER C 86 ? 0.4260 0.5313 0.6663 -0.0799 0.0437 -0.0732 86 SER G N 3865 C CA . SER C 86 ? 0.4513 0.5427 0.6852 -0.0780 0.0535 -0.0680 86 SER G CA 3866 C C . SER C 86 ? 0.4905 0.5725 0.7152 -0.0828 0.0579 -0.0770 86 SER G C 3867 O O . SER C 86 ? 0.5095 0.5938 0.7255 -0.0883 0.0514 -0.0867 86 SER G O 3868 C CB . SER C 86 ? 0.4946 0.5846 0.7159 -0.0717 0.0496 -0.0585 86 SER G CB 3869 O OG . SER C 86 ? 0.4792 0.5721 0.7067 -0.0666 0.0487 -0.0511 86 SER G OG 3870 N N . ILE C 87 ? 0.5427 0.6143 0.7688 -0.0797 0.0690 -0.0742 87 ILE G N 3871 C CA . ILE C 87 ? 0.4985 0.5593 0.7170 -0.0812 0.0770 -0.0835 87 ILE G CA 3872 C C . ILE C 87 ? 0.5368 0.6015 0.7454 -0.0759 0.0806 -0.0777 87 ILE G C 3873 O O . ILE C 87 ? 0.5710 0.6386 0.7898 -0.0697 0.0848 -0.0675 87 ILE G O 3874 C CB . ILE C 87 ? 0.6129 0.6580 0.8451 -0.0802 0.0881 -0.0857 87 ILE G CB 3875 C CG1 . ILE C 87 ? 0.5807 0.6231 0.8232 -0.0897 0.0851 -0.0912 87 ILE G CG1 3876 C CG2 . ILE C 87 ? 0.5551 0.5864 0.7792 -0.0782 0.0980 -0.0964 87 ILE G CG2 3877 C CD1 . ILE C 87 ? 0.4880 0.5114 0.7434 -0.0905 0.0951 -0.0890 87 ILE G CD1 3878 N N . CYS C 88 ? 0.6836 0.7502 0.8717 -0.0796 0.0783 -0.0833 88 CYS G N 3879 C CA . CYS C 88 ? 0.6979 0.7703 0.8757 -0.0777 0.0836 -0.0777 88 CYS G CA 3880 C C . CYS C 88 ? 0.6526 0.7210 0.8342 -0.0735 0.0996 -0.0852 88 CYS G C 3881 O O . CYS C 88 ? 0.5961 0.6539 0.7672 -0.0759 0.1042 -0.0993 88 CYS G O 3882 C CB . CYS C 88 ? 0.8575 0.9314 1.0079 -0.0839 0.0756 -0.0787 88 CYS G CB 3883 S SG . CYS C 88 ? 1.3115 1.3876 1.4576 -0.0850 0.0555 -0.0720 88 CYS G SG 3884 N N . VAL C 89 ? 0.5550 0.6324 0.7518 -0.0668 0.1074 -0.0766 89 VAL G N 3885 C CA . VAL C 89 ? 0.5756 0.6535 0.7816 -0.0589 0.1233 -0.0824 89 VAL G CA 3886 C C . VAL C 89 ? 0.5912 0.6875 0.7904 -0.0607 0.1306 -0.0787 89 VAL G C 3887 O O . VAL C 89 ? 0.5345 0.6458 0.7420 -0.0627 0.1259 -0.0655 89 VAL G O 3888 C CB . VAL C 89 ? 0.4796 0.5572 0.7134 -0.0482 0.1263 -0.0746 89 VAL G CB 3889 C CG1 . VAL C 89 ? 0.5270 0.6058 0.7732 -0.0364 0.1422 -0.0806 89 VAL G CG1 3890 C CG2 . VAL C 89 ? 0.4422 0.5006 0.6802 -0.0493 0.1203 -0.0760 89 VAL G CG2 3891 N N . GLN C 90 ? 0.6489 0.7435 0.8314 -0.0615 0.1425 -0.0907 90 GLN G N 3892 C CA . GLN C 90 ? 0.6333 0.7467 0.8080 -0.0645 0.1534 -0.0878 90 GLN G CA 3893 C C . GLN C 90 ? 0.5816 0.7055 0.7765 -0.0519 0.1732 -0.0947 90 GLN G C 3894 O O . GLN C 90 ? 0.5635 0.6715 0.7508 -0.0455 0.1831 -0.1107 90 GLN G O 3895 C CB . GLN C 90 ? 0.5071 0.6126 0.6418 -0.0751 0.1532 -0.0952 90 GLN G CB 3896 C CG . GLN C 90 ? 0.4788 0.6025 0.6007 -0.0819 0.1640 -0.0887 90 GLN G CG 3897 C CD . GLN C 90 ? 0.6405 0.7532 0.7168 -0.0918 0.1641 -0.0953 90 GLN G CD 3898 O OE1 . GLN C 90 ? 0.7816 0.8777 0.8386 -0.0904 0.1641 -0.1112 90 GLN G OE1 3899 N NE2 . GLN C 90 ? 0.5300 0.6497 0.5863 -0.1031 0.1632 -0.0828 90 GLN G NE2 3900 N N . LEU C 91 ? 0.5333 0.6838 0.7549 -0.0479 0.1784 -0.0835 91 LEU G N 3901 C CA . LEU C 91 ? 0.5869 0.7531 0.8341 -0.0330 0.1966 -0.0891 91 LEU G CA 3902 C C . LEU C 91 ? 0.6133 0.7924 0.8428 -0.0360 0.2164 -0.0990 91 LEU G C 3903 O O . LEU C 91 ? 0.6227 0.8040 0.8230 -0.0515 0.2152 -0.0961 91 LEU G O 3904 C CB . LEU C 91 ? 0.6402 0.8364 0.9259 -0.0277 0.1937 -0.0737 91 LEU G CB 3905 C CG . LEU C 91 ? 0.6400 0.8260 0.9398 -0.0251 0.1746 -0.0624 91 LEU G CG 3906 C CD1 . LEU C 91 ? 0.5595 0.7776 0.8959 -0.0190 0.1718 -0.0491 91 LEU G CD1 3907 C CD2 . LEU C 91 ? 0.5703 0.7255 0.8705 -0.0131 0.1746 -0.0710 91 LEU G CD2 3908 N N . ALA C 92 ? 0.5852 0.7708 0.8307 -0.0200 0.2356 -0.1106 92 ALA G N 3909 C CA . ALA C 92 ? 0.6691 0.8741 0.9039 -0.0202 0.2589 -0.1200 92 ALA G CA 3910 C C . ALA C 92 ? 0.7217 0.9736 0.9976 -0.0145 0.2712 -0.1098 92 ALA G C 3911 O O . ALA C 92 ? 0.7211 0.9991 0.9891 -0.0246 0.2859 -0.1083 92 ALA G O 3912 C CB . ALA C 92 ? 0.5324 0.7142 0.7545 -0.0056 0.2754 -0.1433 92 ALA G CB 3913 N N . THR C 93 ? 0.7905 1.0546 1.1098 0.0001 0.2646 -0.1020 93 THR G N 3914 C CA . THR C 93 ? 0.6808 0.9938 1.0457 0.0049 0.2702 -0.0904 93 THR G CA 3915 C C . THR C 93 ? 0.6331 0.9524 1.0123 -0.0058 0.2450 -0.0708 93 THR G C 3916 O O . THR C 93 ? 0.6778 0.9719 1.0595 0.0009 0.2278 -0.0670 93 THR G O 3917 C CB . THR C 93 ? 0.6830 1.0079 1.0879 0.0338 0.2820 -0.0976 93 THR G CB 3918 O OG1 . THR C 93 ? 0.8766 1.1969 1.2671 0.0440 0.3081 -0.1178 93 THR G OG1 3919 C CG2 . THR C 93 ? 0.4916 0.8726 0.9495 0.0390 0.2831 -0.0840 93 THR G CG2 3920 N N . SER C 94 ? 0.6635 1.0142 1.0494 -0.0237 0.2437 -0.0588 94 SER G N 3921 C CA . SER C 94 ? 0.6050 0.9604 1.0008 -0.0357 0.2204 -0.0420 94 SER G CA 3922 C C . SER C 94 ? 0.4793 0.8611 0.9240 -0.0192 0.2126 -0.0346 94 SER G C 3923 O O . SER C 94 ? 0.4178 0.8275 0.8965 -0.0010 0.2272 -0.0395 94 SER G O 3924 C CB . SER C 94 ? 0.6083 0.9870 0.9976 -0.0607 0.2220 -0.0319 94 SER G CB 3925 O OG . SER C 94 ? 0.7631 1.1863 1.1781 -0.0599 0.2453 -0.0344 94 SER G OG 3926 N N . VAL C 95 ? 0.4253 0.7973 0.8716 -0.0246 0.1888 -0.0229 95 VAL G N 3927 C CA . VAL C 95 ? 0.4054 0.8009 0.8914 -0.0123 0.1761 -0.0131 95 VAL G CA 3928 C C . VAL C 95 ? 0.5049 0.9283 1.0016 -0.0336 0.1625 -0.0003 95 VAL G C 3929 O O . VAL C 95 ? 0.5665 0.9640 1.0334 -0.0505 0.1473 0.0047 95 VAL G O 3930 C CB . VAL C 95 ? 0.4509 0.8079 0.9254 -0.0003 0.1596 -0.0107 95 VAL G CB 3931 C CG1 . VAL C 95 ? 0.3916 0.7716 0.8990 0.0085 0.1425 0.0023 95 VAL G CG1 3932 C CG2 . VAL C 95 ? 0.3330 0.6622 0.8016 0.0199 0.1730 -0.0231 95 VAL G CG2 3933 N N . GLU C 96 ? 0.5679 1.0439 1.1078 -0.0332 0.1680 0.0043 96 GLU G N 3934 C CA . GLU C 96 ? 0.5772 1.0813 1.1306 -0.0557 0.1542 0.0158 96 GLU G CA 3935 C C . GLU C 96 ? 0.6301 1.1231 1.1864 -0.0526 0.1262 0.0248 96 GLU G C 3936 O O . GLU C 96 ? 0.6926 1.1863 1.2673 -0.0295 0.1199 0.0261 96 GLU G O 3937 C CB . GLU C 96 ? 0.3924 0.9621 0.9976 -0.0564 0.1670 0.0181 96 GLU G CB 3938 N N . ILE C 97 ? 0.4965 0.9750 1.0304 -0.0758 0.1097 0.0310 97 ILE G N 3939 C CA . ILE C 97 ? 0.5330 1.0028 1.0649 -0.0771 0.0833 0.0387 97 ILE G CA 3940 C C . ILE C 97 ? 0.6168 1.1237 1.1706 -0.1006 0.0723 0.0460 97 ILE G C 3941 O O . ILE C 97 ? 0.6475 1.1427 1.1795 -0.1257 0.0731 0.0467 97 ILE G O 3942 C CB . ILE C 97 ? 0.5188 0.9310 1.0001 -0.0818 0.0728 0.0369 97 ILE G CB 3943 C CG1 . ILE C 97 ? 0.5128 0.9168 0.9856 -0.0900 0.0473 0.0438 97 ILE G CG1 3944 C CG2 . ILE C 97 ? 0.5269 0.9146 0.9742 -0.1001 0.0827 0.0325 97 ILE G CG2 3945 C CD1 . ILE C 97 ? 0.4964 0.8479 0.9239 -0.0900 0.0393 0.0411 97 ILE G CD1 3946 N N . ALA C 98 ? 0.5859 1.1376 1.1835 -0.0929 0.0615 0.0519 98 ALA G N 3947 C CA . ALA C 98 ? 0.5037 1.1031 1.1341 -0.1148 0.0523 0.0579 98 ALA G CA 3948 C C . ALA C 98 ? 0.5894 1.1732 1.2033 -0.1273 0.0218 0.0632 98 ALA G C 3949 O O . ALA C 98 ? 0.5922 1.1779 1.2132 -0.1099 0.0047 0.0670 98 ALA G O 3950 C CB . ALA C 98 ? 0.4376 1.1035 1.1313 -0.0985 0.0581 0.0603 98 ALA G CB 3951 N N . CYS C 99 ? 0.6348 1.2009 1.2243 -0.1574 0.0151 0.0636 99 CYS G N 3952 C CA . CYS C 99 ? 0.6650 1.2147 1.2362 -0.1726 -0.0128 0.0662 99 CYS G CA 3953 C C . CYS C 99 ? 0.6986 1.3018 1.3109 -0.1936 -0.0241 0.0701 99 CYS G C 3954 O O . CYS C 99 ? 0.7424 1.3565 1.3616 -0.2103 -0.0092 0.0666 99 CYS G O 3955 C CB . CYS C 99 ? 0.8051 1.2946 1.3208 -0.1910 -0.0145 0.0624 99 CYS G CB 3956 S SG . CYS C 99 ? 0.8865 1.3167 1.3558 -0.1683 -0.0013 0.0563 99 CYS G SG 3957 N N . THR C 100 ? 0.7280 1.3508 1.3551 -0.1889 -0.0494 0.0733 100 THR G N 3958 C CA . THR C 100 ? 0.7358 1.4016 1.3957 -0.2003 -0.0605 0.0716 100 THR G CA 3959 C C . THR C 100 ? 0.7642 1.4069 1.3977 -0.2322 -0.0807 0.0689 100 THR G C 3960 O O . THR C 100 ? 0.7452 1.4174 1.4033 -0.2490 -0.0848 0.0663 100 THR G O 3961 C CB . THR C 100 ? 0.6890 1.3940 1.3828 -0.1754 -0.0781 0.0765 100 THR G CB 3962 O OG1 . THR C 100 ? 0.6985 1.4436 1.4215 -0.1891 -0.0938 0.0744 100 THR G OG1 3963 C CG2 . THR C 100 ? 0.7158 1.3884 1.3779 -0.1667 -0.1015 0.0828 100 THR G CG2 3964 N N . GLY C 101 ? 0.7474 1.3376 1.3327 -0.2407 -0.0930 0.0687 101 GLY G N 3965 C CA . GLY C 101 ? 0.5968 1.1576 1.1517 -0.2680 -0.1134 0.0643 101 GLY G CA 3966 C C . GLY C 101 ? 0.6529 1.2122 1.1959 -0.2644 -0.1450 0.0648 101 GLY G C 3967 O O . GLY C 101 ? 0.5858 1.1143 1.0968 -0.2858 -0.1633 0.0590 101 GLY G O 3968 N N . ALA C 102 ? 0.7797 1.3677 1.3441 -0.2373 -0.1520 0.0715 102 ALA G N 3969 C CA . ALA C 102 ? 0.8934 1.4855 1.4473 -0.2317 -0.1830 0.0741 102 ALA G CA 3970 C C . ALA C 102 ? 0.9335 1.4588 1.4240 -0.2159 -0.1849 0.0701 102 ALA G C 3971 O O . ALA C 102 ? 0.9398 1.4539 1.4046 -0.2137 -0.2088 0.0697 102 ALA G O 3972 C CB . ALA C 102 ? 0.9290 1.5768 1.5304 -0.2045 -0.1881 0.0824 102 ALA G CB 3973 N N . GLY C 103 ? 0.8302 1.3130 1.2945 -0.2052 -0.1603 0.0669 103 GLY G N 3974 C CA . GLY C 103 ? 0.7263 1.1514 1.1359 -0.1902 -0.1596 0.0629 103 GLY G CA 3975 C C . GLY C 103 ? 0.7147 1.1342 1.1285 -0.1589 -0.1405 0.0676 103 GLY G C 3976 O O . GLY C 103 ? 0.6599 1.0449 1.0384 -0.1427 -0.1418 0.0677 103 GLY G O 3977 N N . HIS C 104 ? 0.7093 1.1618 1.1653 -0.1512 -0.1218 0.0711 104 HIS G N 3978 C CA . HIS C 104 ? 0.7413 1.1849 1.2015 -0.1235 -0.1023 0.0735 104 HIS G CA 3979 C C . HIS C 104 ? 0.6979 1.1689 1.1946 -0.1235 -0.0786 0.0724 104 HIS G C 3980 O O . HIS C 104 ? 0.7526 1.2683 1.2869 -0.1384 -0.0794 0.0738 104 HIS G O 3981 C CB . HIS C 104 ? 0.8575 1.3209 1.3337 -0.0987 -0.1140 0.0830 104 HIS G CB 3982 C CG . HIS C 104 ? 1.0085 1.5297 1.5279 -0.1029 -0.1344 0.0896 104 HIS G CG 3983 N ND1 . HIS C 104 ? 1.1100 1.6860 1.6853 -0.1069 -0.1261 0.0909 104 HIS G ND1 3984 C CD2 . HIS C 104 ? 1.0258 1.5617 1.5418 -0.1037 -0.1632 0.0953 104 HIS G CD2 3985 C CE1 . HIS C 104 ? 1.0918 1.7167 1.7008 -0.1099 -0.1494 0.0970 104 HIS G CE1 3986 N NE2 . HIS C 104 ? 1.0651 1.6659 1.6378 -0.1082 -0.1735 0.0999 104 HIS G NE2 3987 N N . CYS C 105 ? 0.6617 1.1059 1.1456 -0.1080 -0.0571 0.0692 105 CYS G N 3988 C CA . CYS C 105 ? 0.7155 1.1804 1.2272 -0.1027 -0.0327 0.0668 105 CYS G CA 3989 C C . CYS C 105 ? 0.6216 1.0951 1.1539 -0.0715 -0.0242 0.0697 105 CYS G C 3990 O O . CYS C 105 ? 0.7135 1.1602 1.2255 -0.0558 -0.0325 0.0731 105 CYS G O 3991 C CB . CYS C 105 ? 0.8469 1.2708 1.3237 -0.1119 -0.0154 0.0592 105 CYS G CB 3992 S SG . CYS C 105 ? 1.0619 1.4619 1.5073 -0.1463 -0.0250 0.0565 105 CYS G SG 3993 N N . ALA C 106 ? 0.5122 1.0221 1.0842 -0.0627 -0.0068 0.0685 106 ALA G N 3994 C CA . ALA C 106 ? 0.5138 1.0351 1.1116 -0.0320 0.0010 0.0708 106 ALA G CA 3995 C C . ALA C 106 ? 0.4994 1.0099 1.0976 -0.0231 0.0302 0.0614 106 ALA G C 3996 O O . ALA C 106 ? 0.5828 1.1060 1.1837 -0.0396 0.0452 0.0557 106 ALA G O 3997 C CB . ALA C 106 ? 0.2836 0.8688 0.9386 -0.0231 -0.0085 0.0780 106 ALA G CB 3998 N N . ILE C 107 ? 0.4318 0.9162 1.0243 0.0020 0.0380 0.0601 107 ILE G N 3999 C CA . ILE C 107 ? 0.4990 0.9707 1.0914 0.0137 0.0642 0.0496 107 ILE G CA 4000 C C . ILE C 107 ? 0.5354 1.0198 1.1609 0.0457 0.0690 0.0517 107 ILE G C 4001 O O . ILE C 107 ? 0.4749 0.9517 1.1035 0.0607 0.0520 0.0618 107 ILE G O 4002 C CB . ILE C 107 ? 0.4884 0.9003 1.0305 0.0093 0.0706 0.0425 107 ILE G CB 4003 C CG1 . ILE C 107 ? 0.6861 1.0618 1.2080 0.0218 0.0569 0.0491 107 ILE G CG1 4004 C CG2 . ILE C 107 ? 0.5401 0.9377 1.0504 -0.0186 0.0663 0.0403 107 ILE G CG2 4005 C CD1 . ILE C 107 ? 0.8960 1.2460 1.4195 0.0454 0.0697 0.0455 107 ILE G CD1 4006 N N . SER C 108 ? 0.5814 1.0825 1.2289 0.0571 0.0928 0.0420 108 SER G N 4007 C CA . SER C 108 ? 0.5038 1.0133 1.1830 0.0903 0.1005 0.0416 108 SER G CA 4008 C C . SER C 108 ? 0.6340 1.0812 1.2805 0.1059 0.0992 0.0413 108 SER G C 4009 O O . SER C 108 ? 0.5848 0.9898 1.1956 0.0986 0.1123 0.0305 108 SER G O 4010 C CB . SER C 108 ? 0.4232 0.9580 1.1255 0.0978 0.1296 0.0280 108 SER G CB 4011 O OG . SER C 108 ? 0.5468 1.0745 1.2705 0.1319 0.1397 0.0242 108 SER G OG 4012 N N . ARG C 109 ? 0.6939 1.1360 1.3527 0.1267 0.0831 0.0537 109 ARG G N 4013 C CA . ARG C 109 ? 0.6388 1.0204 1.2665 0.1397 0.0814 0.0562 109 ARG G CA 4014 C C . ARG C 109 ? 0.6226 0.9766 1.2508 0.1575 0.1059 0.0420 109 ARG G C 4015 O O . ARG C 109 ? 0.7255 1.0256 1.3172 0.1534 0.1129 0.0355 109 ARG G O 4016 C CB . ARG C 109 ? 0.6577 1.0409 1.2986 0.1597 0.0594 0.0746 109 ARG G CB 4017 C CG . ARG C 109 ? 0.6250 0.9443 1.2330 0.1719 0.0576 0.0805 109 ARG G CG 4018 C CD . ARG C 109 ? 0.7618 1.0814 1.3752 0.1887 0.0334 0.1017 109 ARG G CD 4019 N NE . ARG C 109 ? 0.8704 1.2071 1.4669 0.1679 0.0109 0.1118 109 ARG G NE 4020 C CZ . ARG C 109 ? 0.8468 1.1436 1.3964 0.1524 0.0030 0.1171 109 ARG G CZ 4021 N NH1 . ARG C 109 ? 0.8279 1.1417 1.3626 0.1352 -0.0167 0.1240 109 ARG G NH1 4022 N NH2 . ARG C 109 ? 0.8047 1.0454 1.3229 0.1535 0.0154 0.1146 109 ARG G NH2 4023 N N . ALA C 110 ? 0.6129 1.0042 1.2830 0.1768 0.1196 0.0359 110 ALA G N 4024 C CA . ALA C 110 ? 0.6571 1.0216 1.3260 0.1946 0.1443 0.0195 110 ALA G CA 4025 C C . ALA C 110 ? 0.6795 1.0267 1.3148 0.1710 0.1626 0.0018 110 ALA G C 4026 O O . ALA C 110 ? 0.7440 1.0409 1.3501 0.1736 0.1745 -0.0104 110 ALA G O 4027 C CB . ALA C 110 ? 0.5481 0.9623 1.2716 0.2219 0.1563 0.0159 110 ALA G CB 4028 N N . LYS C 111 ? 0.6450 1.0313 1.2822 0.1469 0.1637 0.0007 111 LYS G N 4029 C CA . LYS C 111 ? 0.6147 0.9854 1.2179 0.1251 0.1793 -0.0139 111 LYS G CA 4030 C C . LYS C 111 ? 0.7662 1.0830 1.3206 0.1077 0.1686 -0.0134 111 LYS G C 4031 O O . LYS C 111 ? 0.8526 1.1354 1.3755 0.1008 0.1807 -0.0274 111 LYS G O 4032 C CB . LYS C 111 ? 0.5492 0.9710 1.1645 0.1028 0.1816 -0.0120 111 LYS G CB 4033 N N . TRP C 112 ? 0.7352 1.0454 1.2830 0.1007 0.1459 0.0019 112 TRP G N 4034 C CA . TRP C 112 ? 0.6552 0.9204 1.1608 0.0848 0.1369 0.0026 112 TRP G CA 4035 C C . TRP C 112 ? 0.7092 0.9234 1.1994 0.0988 0.1418 -0.0018 112 TRP G C 4036 O O . TRP C 112 ? 0.6608 0.8386 1.1187 0.0864 0.1456 -0.0105 112 TRP G O 4037 C CB . TRP C 112 ? 0.6136 0.8859 1.1148 0.0748 0.1135 0.0190 112 TRP G CB 4038 C CG . TRP C 112 ? 0.6427 0.8780 1.1035 0.0571 0.1065 0.0185 112 TRP G CG 4039 C CD1 . TRP C 112 ? 0.6608 0.8631 1.1026 0.0590 0.0961 0.0267 112 TRP G CD1 4040 C CD2 . TRP C 112 ? 0.6505 0.8791 1.0856 0.0357 0.1104 0.0097 112 TRP G CD2 4041 N NE1 . TRP C 112 ? 0.5632 0.7432 0.9731 0.0404 0.0942 0.0222 112 TRP G NE1 4042 C CE2 . TRP C 112 ? 0.5952 0.7900 1.0007 0.0270 0.1016 0.0120 112 TRP G CE2 4043 C CE3 . TRP C 112 ? 0.6237 0.8717 1.0570 0.0235 0.1207 0.0009 112 TRP G CE3 4044 C CZ2 . TRP C 112 ? 0.5782 0.7603 0.9566 0.0090 0.1013 0.0053 112 TRP G CZ2 4045 C CZ3 . TRP C 112 ? 0.5744 0.8048 0.9759 0.0047 0.1194 -0.0042 112 TRP G CZ3 4046 C CH2 . TRP C 112 ? 0.5453 0.7441 0.9216 -0.0012 0.1090 -0.0023 112 TRP G CH2 4047 N N . ALA C 113 ? 0.7894 0.9998 1.3030 0.1241 0.1407 0.0047 113 ALA G N 4048 C CA . ALA C 113 ? 0.7166 0.8734 1.2155 0.1371 0.1459 0.0014 113 ALA G CA 4049 C C . ALA C 113 ? 0.7518 0.8875 1.2401 0.1386 0.1678 -0.0209 113 ALA G C 4050 O O . ALA C 113 ? 0.7608 0.8491 1.2206 0.1315 0.1718 -0.0293 113 ALA G O 4051 C CB . ALA C 113 ? 0.6243 0.7806 1.1509 0.1664 0.1396 0.0143 113 ALA G CB 4052 N N . ASN C 114 ? 0.7907 0.9624 1.3010 0.1465 0.1825 -0.0314 114 ASN G N 4053 C CA . ASN C 114 ? 0.8838 1.0363 1.3788 0.1474 0.2041 -0.0542 114 ASN G CA 4054 C C . ASN C 114 ? 0.8412 0.9800 1.2971 0.1179 0.2042 -0.0633 114 ASN G C 4055 O O . ASN C 114 ? 0.9066 1.0060 1.3352 0.1134 0.2128 -0.0792 114 ASN G O 4056 C CB . ASN C 114 ? 0.9053 1.1048 1.4315 0.1613 0.2218 -0.0628 114 ASN G CB 4057 C CG . ASN C 114 ? 0.9474 1.1257 1.4544 0.1647 0.2457 -0.0878 114 ASN G CG 4058 O OD1 . ASN C 114 ? 1.0435 1.2406 1.5339 0.1475 0.2563 -0.0979 114 ASN G OD1 4059 N ND2 . ASN C 114 ? 0.8634 0.9986 1.3687 0.1863 0.2540 -0.0979 114 ASN G ND2 4060 N N . THR C 115 ? 0.7157 0.8849 1.1681 0.0979 0.1932 -0.0536 115 THR G N 4061 C CA . THR C 115 ? 0.6186 0.7737 1.0348 0.0723 0.1898 -0.0593 115 THR G CA 4062 C C . THR C 115 ? 0.6164 0.7255 1.0092 0.0657 0.1792 -0.0577 115 THR G C 4063 O O . THR C 115 ? 0.5639 0.6450 0.9295 0.0546 0.1833 -0.0710 115 THR G O 4064 C CB . THR C 115 ? 0.6194 0.8107 1.0376 0.0546 0.1785 -0.0474 115 THR G CB 4065 O OG1 . THR C 115 ? 0.6213 0.8582 1.0651 0.0586 0.1891 -0.0476 115 THR G OG1 4066 C CG2 . THR C 115 ? 0.5371 0.7142 0.9187 0.0314 0.1755 -0.0534 115 THR G CG2 4067 N N . LEU C 116 ? 0.6517 0.7544 1.0548 0.0716 0.1656 -0.0413 116 LEU G N 4068 C CA . LEU C 116 ? 0.6910 0.7530 1.0739 0.0644 0.1576 -0.0378 116 LEU G CA 4069 C C . LEU C 116 ? 0.7663 0.7845 1.1399 0.0716 0.1694 -0.0518 116 LEU G C 4070 O O . LEU C 116 ? 0.7726 0.7608 1.1234 0.0569 0.1685 -0.0591 116 LEU G O 4071 C CB . LEU C 116 ? 0.6265 0.6889 1.0205 0.0722 0.1435 -0.0170 116 LEU G CB 4072 C CG . LEU C 116 ? 0.6948 0.7675 1.0753 0.0552 0.1280 -0.0053 116 LEU G CG 4073 C CD1 . LEU C 116 ? 0.7003 0.8082 1.0797 0.0415 0.1260 -0.0091 116 LEU G CD1 4074 C CD2 . LEU C 116 ? 0.7214 0.8010 1.1131 0.0658 0.1146 0.0145 116 LEU G CD2 4075 N N . LYS C 117 ? 0.7295 0.7437 1.1217 0.0943 0.1804 -0.0565 117 LYS G N 4076 C CA . LYS C 117 ? 0.7946 0.7612 1.1769 0.1027 0.1919 -0.0711 117 LYS G CA 4077 C C . LYS C 117 ? 0.8347 0.7904 1.1913 0.0872 0.2021 -0.0944 117 LYS G C 4078 O O . LYS C 117 ? 0.8813 0.7942 1.2172 0.0782 0.2037 -0.1055 117 LYS G O 4079 C CB . LYS C 117 ? 0.8031 0.7709 1.2123 0.1335 0.2024 -0.0725 117 LYS G CB 4080 C CG . LYS C 117 ? 0.8185 0.7405 1.2166 0.1444 0.2186 -0.0939 117 LYS G CG 4081 C CD . LYS C 117 ? 0.8909 0.8050 1.3173 0.1791 0.2257 -0.0908 117 LYS G CD 4082 C CE . LYS C 117 ? 1.0379 0.9279 1.4590 0.1938 0.2472 -0.1174 117 LYS G CE 4083 N NZ . LYS C 117 ? 1.1274 1.0705 1.5589 0.1959 0.2613 -0.1300 117 LYS G NZ 4084 N N . GLN C 118 ? 0.7663 0.7601 1.1224 0.0825 0.2084 -0.1017 118 GLN G N 4085 C CA . GLN C 118 ? 0.7971 0.7821 1.1235 0.0670 0.2158 -0.1220 118 GLN G CA 4086 C C . GLN C 118 ? 0.8437 0.8205 1.1471 0.0415 0.2009 -0.1190 118 GLN G C 4087 O O . GLN C 118 ? 1.0586 1.0090 1.3371 0.0289 0.2017 -0.1346 118 GLN G O 4088 C CB . GLN C 118 ? 0.7988 0.8267 1.1276 0.0672 0.2265 -0.1273 118 GLN G CB 4089 C CG . GLN C 118 ? 0.7965 0.8463 1.1553 0.0924 0.2422 -0.1292 118 GLN G CG 4090 C CD . GLN C 118 ? 0.8691 0.9696 1.2344 0.0878 0.2516 -0.1292 118 GLN G CD 4091 O OE1 . GLN C 118 ? 0.9250 1.0277 1.2606 0.0717 0.2575 -0.1402 118 GLN G OE1 4092 N NE2 . GLN C 118 ? 0.8890 1.0314 1.2929 0.1005 0.2522 -0.1157 118 GLN G NE2 4093 N N . ILE C 119 ? 0.7304 0.7308 1.0423 0.0342 0.1869 -0.1000 119 ILE G N 4094 C CA . ILE C 119 ? 0.6966 0.6916 0.9907 0.0134 0.1734 -0.0966 119 ILE G CA 4095 C C . ILE C 119 ? 0.7782 0.7331 1.0675 0.0095 0.1703 -0.0980 119 ILE G C 4096 O O . ILE C 119 ? 0.8210 0.7601 1.0925 -0.0067 0.1669 -0.1085 119 ILE G O 4097 C CB . ILE C 119 ? 0.5765 0.6020 0.8806 0.0092 0.1605 -0.0771 119 ILE G CB 4098 C CG1 . ILE C 119 ? 0.5120 0.5742 0.8181 0.0075 0.1636 -0.0766 119 ILE G CG1 4099 C CG2 . ILE C 119 ? 0.5100 0.5287 0.7991 -0.0082 0.1478 -0.0735 119 ILE G CG2 4100 C CD1 . ILE C 119 ? 0.5301 0.6192 0.8449 0.0023 0.1509 -0.0594 119 ILE G CD1 4101 N N . ALA C 120 ? 0.8061 0.7444 1.1114 0.0236 0.1712 -0.0869 120 ALA G N 4102 C CA . ALA C 120 ? 0.8125 0.7090 1.1125 0.0187 0.1700 -0.0860 120 ALA G CA 4103 C C . ALA C 120 ? 0.8679 0.7283 1.1533 0.0150 0.1798 -0.1088 120 ALA G C 4104 O O . ALA C 120 ? 0.8556 0.6900 1.1290 -0.0021 0.1766 -0.1150 120 ALA G O 4105 C CB . ALA C 120 ? 0.7577 0.6394 1.0740 0.0370 0.1694 -0.0685 120 ALA G CB 4106 N N . SER C 121 ? 0.9161 0.7756 1.2026 0.0299 0.1921 -0.1225 121 SER G N 4107 C CA . SER C 121 ? 0.8556 0.6785 1.1238 0.0270 0.2019 -0.1470 121 SER G CA 4108 C C . SER C 121 ? 0.7895 0.6192 1.0334 0.0022 0.1958 -0.1613 121 SER G C 4109 O O . SER C 121 ? 0.7983 0.5947 1.0274 -0.0125 0.1939 -0.1746 121 SER G O 4110 C CB . SER C 121 ? 0.7838 0.6112 1.0565 0.0492 0.2181 -0.1599 121 SER G CB 4111 O OG . SER C 121 ? 0.8732 0.6587 1.1251 0.0481 0.2283 -0.1852 121 SER G OG 4112 N N . LYS C 122 ? 0.7947 0.6668 1.0344 -0.0034 0.1913 -0.1581 122 LYS G N 4113 C CA . LYS C 122 ? 0.8172 0.6977 1.0334 -0.0246 0.1830 -0.1692 122 LYS G CA 4114 C C . LYS C 122 ? 0.8247 0.7016 1.0440 -0.0426 0.1683 -0.1607 122 LYS G C 4115 O O . LYS C 122 ? 0.7419 0.6069 0.9462 -0.0599 0.1620 -0.1742 122 LYS G O 4116 C CB . LYS C 122 ? 0.8178 0.7408 1.0283 -0.0253 0.1814 -0.1640 122 LYS G CB 4117 C CG . LYS C 122 ? 0.8430 0.7726 1.0424 -0.0144 0.1976 -0.1778 122 LYS G CG 4118 C CD . LYS C 122 ? 0.9145 0.8172 1.0816 -0.0237 0.2016 -0.2036 122 LYS G CD 4119 C CE . LYS C 122 ? 0.9566 0.8658 1.1086 -0.0127 0.2203 -0.2185 122 LYS G CE 4120 N NZ . LYS C 122 ? 1.1620 1.0414 1.2771 -0.0218 0.2237 -0.2455 122 LYS G NZ 4121 N N . LEU C 123 ? 0.7566 0.6461 0.9952 -0.0390 0.1626 -0.1390 123 LEU G N 4122 C CA . LEU C 123 ? 0.6667 0.5525 0.9099 -0.0543 0.1524 -0.1308 123 LEU G CA 4123 C C . LEU C 123 ? 0.8465 0.6890 1.0890 -0.0617 0.1567 -0.1390 123 LEU G C 4124 O O . LEU C 123 ? 0.8069 0.6447 1.0476 -0.0812 0.1500 -0.1434 123 LEU G O 4125 C CB . LEU C 123 ? 0.6370 0.5403 0.8966 -0.0472 0.1480 -0.1069 123 LEU G CB 4126 C CG . LEU C 123 ? 0.5787 0.5222 0.8388 -0.0453 0.1408 -0.0978 123 LEU G CG 4127 C CD1 . LEU C 123 ? 0.6064 0.5606 0.8803 -0.0368 0.1371 -0.0765 123 LEU G CD1 4128 C CD2 . LEU C 123 ? 0.5562 0.5159 0.8063 -0.0619 0.1301 -0.1027 123 LEU G CD2 4129 N N . ARG C 124 ? 0.9439 0.7546 1.1893 -0.0464 0.1678 -0.1412 124 ARG G N 4130 C CA . ARG C 124 ? 0.9435 0.7048 1.1864 -0.0529 0.1723 -0.1476 124 ARG G CA 4131 C C . ARG C 124 ? 1.0483 0.7917 1.2727 -0.0715 0.1712 -0.1736 124 ARG G C 4132 O O . ARG C 124 ? 1.0625 0.7842 1.2864 -0.0918 0.1672 -0.1777 124 ARG G O 4133 C CB . ARG C 124 ? 0.9137 0.6430 1.1621 -0.0284 0.1840 -0.1455 124 ARG G CB 4134 C CG . ARG C 124 ? 0.9349 0.6110 1.1847 -0.0311 0.1873 -0.1402 124 ARG G CG 4135 C CD . ARG C 124 ? 1.0178 0.6623 1.2738 -0.0024 0.1974 -0.1367 124 ARG G CD 4136 N NE . ARG C 124 ? 1.1091 0.7816 1.3832 0.0174 0.1940 -0.1114 124 ARG G NE 4137 C CZ . ARG C 124 ? 1.2036 0.9035 1.4904 0.0418 0.1979 -0.1100 124 ARG G CZ 4138 N NH1 . ARG C 124 ? 1.3104 1.0129 1.5925 0.0507 0.2080 -0.1321 124 ARG G NH1 4139 N NH2 . ARG C 124 ? 1.1430 0.8692 1.4469 0.0566 0.1919 -0.0867 124 ARG G NH2 4140 N N . GLU C 125 ? 1.0775 0.8318 1.2859 -0.0666 0.1743 -0.1912 125 GLU G N 4141 C CA . GLU C 125 ? 1.1116 0.8486 1.2969 -0.0833 0.1720 -0.2175 125 GLU G CA 4142 C C . GLU C 125 ? 1.0714 0.8416 1.2525 -0.1058 0.1557 -0.2189 125 GLU G C 4143 O O . GLU C 125 ? 1.1483 0.9059 1.3134 -0.1240 0.1494 -0.2388 125 GLU G O 4144 C CB . GLU C 125 ? 1.1070 0.8422 1.2718 -0.0690 0.1829 -0.2362 125 GLU G CB 4145 C CG . GLU C 125 ? 1.0657 0.8506 1.2253 -0.0635 0.1807 -0.2302 125 GLU G CG 4146 N N . GLN C 126 ? 0.9885 0.8000 1.1836 -0.1046 0.1478 -0.1990 126 GLN G N 4147 C CA . GLN C 126 ? 0.9065 0.7497 1.1015 -0.1225 0.1320 -0.1988 126 GLN G CA 4148 C C . GLN C 126 ? 0.9451 0.7849 1.1601 -0.1394 0.1263 -0.1912 126 GLN G C 4149 O O . GLN C 126 ? 0.8852 0.7342 1.1002 -0.1593 0.1153 -0.2017 126 GLN G O 4150 C CB . GLN C 126 ? 0.8142 0.7000 1.0128 -0.1130 0.1265 -0.1825 126 GLN G CB 4151 C CG . GLN C 126 ? 0.7782 0.6961 0.9763 -0.1269 0.1096 -0.1819 126 GLN G CG 4152 C CD . GLN C 126 ? 0.8098 0.7273 0.9823 -0.1377 0.1014 -0.2029 126 GLN G CD 4153 O OE1 . GLN C 126 ? 0.7859 0.7016 0.9348 -0.1298 0.1063 -0.2106 126 GLN G OE1 4154 N NE2 . GLN C 126 ? 0.7438 0.6650 0.9207 -0.1567 0.0889 -0.2123 126 GLN G NE2 4155 N N . TYR C 127 ? 0.9713 0.8009 1.2036 -0.1322 0.1334 -0.1726 127 TYR G N 4156 C CA . TYR C 127 ? 0.9616 0.7884 1.2116 -0.1481 0.1315 -0.1629 127 TYR G CA 4157 C C . TYR C 127 ? 1.0314 0.8064 1.2809 -0.1570 0.1403 -0.1687 127 TYR G C 4158 O O . TYR C 127 ? 1.0556 0.8227 1.3188 -0.1716 0.1417 -0.1590 127 TYR G O 4159 C CB . TYR C 127 ? 0.8100 0.6575 1.0743 -0.1370 0.1332 -0.1373 127 TYR G CB 4160 C CG . TYR C 127 ? 0.7067 0.6025 0.9743 -0.1347 0.1229 -0.1312 127 TYR G CG 4161 C CD1 . TYR C 127 ? 0.8450 0.7682 1.1247 -0.1502 0.1143 -0.1310 127 TYR G CD1 4162 C CD2 . TYR C 127 ? 0.6680 0.5816 0.9281 -0.1169 0.1220 -0.1256 127 TYR G CD2 4163 C CE1 . TYR C 127 ? 0.9355 0.8985 1.2177 -0.1455 0.1047 -0.1257 127 TYR G CE1 4164 C CE2 . TYR C 127 ? 0.7932 0.7441 1.0538 -0.1152 0.1122 -0.1198 127 TYR G CE2 4165 C CZ . TYR C 127 ? 0.8421 0.8153 1.1127 -0.1283 0.1034 -0.1200 127 TYR G CZ 4166 O OH . TYR C 127 ? 0.8481 0.8542 1.1189 -0.1243 0.0935 -0.1146 127 TYR G OH 4167 N N . GLY C 128 ? 1.0872 0.8252 1.3202 -0.1488 0.1472 -0.1846 128 GLY G N 4168 C CA . GLY C 128 ? 1.0926 0.7732 1.3220 -0.1557 0.1555 -0.1914 128 GLY G CA 4169 C C . GLY C 128 ? 1.1793 0.8365 1.4210 -0.1475 0.1637 -0.1671 128 GLY G C 4170 O O . GLY C 128 ? 1.3654 0.9816 1.6086 -0.1626 0.1678 -0.1659 128 GLY G O 4171 N N . ALA C 129 ? 1.1313 0.8122 1.3799 -0.1253 0.1653 -0.1470 129 ALA G N 4172 C CA . ALA C 129 ? 1.2042 0.8680 1.4612 -0.1175 0.1703 -0.1217 129 ALA G CA 4173 C C . ALA C 129 ? 1.3144 0.9275 1.5652 -0.0959 0.1798 -0.1206 129 ALA G C 4174 O O . ALA C 129 ? 1.2292 0.8215 1.4704 -0.0865 0.1843 -0.1408 129 ALA G O 4175 C CB . ALA C 129 ? 1.0949 0.8068 1.3608 -0.1048 0.1655 -0.1014 129 ALA G CB 4176 N N . LYS C 130 ? 1.5134 1.1057 1.7684 -0.0868 0.1830 -0.0965 130 LYS G N 4177 C CA . LYS C 130 ? 1.5943 1.1428 1.8466 -0.0612 0.1898 -0.0898 130 LYS G CA 4178 C C . LYS C 130 ? 1.5108 1.0913 1.7727 -0.0329 0.1869 -0.0702 130 LYS G C 4179 O O . LYS C 130 ? 1.5690 1.1403 1.8347 -0.0062 0.1908 -0.0735 130 LYS G O 4180 N N . THR C 131 ? 1.3274 0.9471 1.5944 -0.0382 0.1800 -0.0510 131 THR G N 4181 C CA . THR C 131 ? 1.1862 0.8372 1.4612 -0.0149 0.1748 -0.0323 131 THR G CA 4182 C C . THR C 131 ? 1.0436 0.7541 1.3223 -0.0243 0.1668 -0.0300 131 THR G C 4183 O O . THR C 131 ? 1.0954 0.8179 1.3709 -0.0475 0.1650 -0.0314 131 THR G O 4184 C CB . THR C 131 ? 1.0291 0.6494 1.2999 -0.0063 0.1740 -0.0048 131 THR G CB 4185 O OG1 . THR C 131 ? 0.9491 0.6103 1.2208 -0.0054 0.1657 0.0146 131 THR G OG1 4186 C CG2 . THR C 131 ? 0.9841 0.5553 1.2432 -0.0293 0.1800 -0.0018 131 THR G CG2 4187 N N . ILE C 132 ? 0.7477 0.4953 1.0347 -0.0062 0.1622 -0.0267 132 ILE G N 4188 C CA . ILE C 132 ? 0.6511 0.4509 0.9405 -0.0123 0.1544 -0.0261 132 ILE G CA 4189 C C . ILE C 132 ? 0.7137 0.5344 1.0075 0.0019 0.1468 -0.0037 132 ILE G C 4190 O O . ILE C 132 ? 0.6529 0.4741 0.9562 0.0236 0.1461 0.0024 132 ILE G O 4191 C CB . ILE C 132 ? 0.6969 0.5230 0.9896 -0.0077 0.1556 -0.0450 132 ILE G CB 4192 C CG1 . ILE C 132 ? 0.6609 0.4634 0.9447 -0.0203 0.1619 -0.0687 132 ILE G CG1 4193 C CG2 . ILE C 132 ? 0.7282 0.6018 1.0209 -0.0149 0.1469 -0.0428 132 ILE G CG2 4194 C CD1 . ILE C 132 ? 0.6721 0.4845 0.9493 -0.0463 0.1568 -0.0755 132 ILE G CD1 4195 N N . ILE C 133 ? 0.7621 0.6017 1.0494 -0.0099 0.1409 0.0073 133 ILE G N 4196 C CA . ILE C 133 ? 0.7228 0.5820 1.0089 0.0003 0.1321 0.0270 133 ILE G CA 4197 C C . ILE C 133 ? 0.7494 0.6538 1.0370 -0.0044 0.1245 0.0221 133 ILE G C 4198 O O . ILE C 133 ? 0.8066 0.7230 1.0895 -0.0205 0.1249 0.0124 133 ILE G O 4199 C CB . ILE C 133 ? 0.7514 0.5909 1.0228 -0.0084 0.1325 0.0448 133 ILE G CB 4200 C CG1 . ILE C 133 ? 0.8147 0.6024 1.0818 -0.0081 0.1409 0.0496 133 ILE G CG1 4201 C CG2 . ILE C 133 ? 0.6997 0.5550 0.9649 0.0038 0.1222 0.0648 133 ILE G CG2 4202 C CD1 . ILE C 133 ? 0.7148 0.4804 0.9649 -0.0192 0.1436 0.0687 133 ILE G CD1 4203 N N . PHE C 134 ? 0.6978 0.6269 0.9930 0.0095 0.1169 0.0289 134 PHE G N 4204 C CA . PHE C 134 ? 0.6224 0.5890 0.9164 0.0048 0.1081 0.0283 134 PHE G CA 4205 C C . PHE C 134 ? 0.5931 0.5652 0.8762 0.0064 0.0987 0.0462 134 PHE G C 4206 O O . PHE C 134 ? 0.6489 0.6133 0.9339 0.0198 0.0942 0.0605 134 PHE G O 4207 C CB . PHE C 134 ? 0.6480 0.6414 0.9579 0.0151 0.1059 0.0228 134 PHE G CB 4208 C CG . PHE C 134 ? 0.6093 0.6015 0.9238 0.0123 0.1155 0.0040 134 PHE G CG 4209 C CD1 . PHE C 134 ? 0.5413 0.5438 0.8461 -0.0030 0.1154 -0.0080 134 PHE G CD1 4210 C CD2 . PHE C 134 ? 0.6536 0.6342 0.9804 0.0262 0.1242 -0.0019 134 PHE G CD2 4211 C CE1 . PHE C 134 ? 0.5517 0.5523 0.8555 -0.0061 0.1230 -0.0249 134 PHE G CE1 4212 C CE2 . PHE C 134 ? 0.6658 0.6440 0.9918 0.0234 0.1339 -0.0207 134 PHE G CE2 4213 C CZ . PHE C 134 ? 0.5777 0.5659 0.8905 0.0063 0.1328 -0.0319 134 PHE G CZ 4214 N N . LYS C 135 ? 0.5117 0.4967 0.7821 -0.0060 0.0953 0.0450 135 LYS G N 4215 C CA . LYS C 135 ? 0.4745 0.4645 0.7286 -0.0066 0.0875 0.0585 135 LYS G CA 4216 C C . LYS C 135 ? 0.4550 0.4734 0.7053 -0.0116 0.0787 0.0526 135 LYS G C 4217 O O . LYS C 135 ? 0.4289 0.4589 0.6858 -0.0178 0.0805 0.0390 135 LYS G O 4218 C CB . LYS C 135 ? 0.6083 0.5790 0.8465 -0.0175 0.0957 0.0628 135 LYS G CB 4219 C CG . LYS C 135 ? 0.5662 0.5020 0.8022 -0.0149 0.1037 0.0731 135 LYS G CG 4220 C CD . LYS C 135 ? 0.6160 0.5379 0.8351 -0.0285 0.1123 0.0798 135 LYS G CD 4221 C CE . LYS C 135 ? 0.7446 0.6271 0.9563 -0.0277 0.1197 0.0941 135 LYS G CE 4222 N NZ . LYS C 135 ? 0.8206 0.6929 1.0127 -0.0419 0.1290 0.1042 135 LYS G NZ 4223 N N . PRO C 136 ? 0.4858 0.5131 0.7228 -0.0093 0.0682 0.0626 136 PRO G N 4224 C CA . PRO C 136 ? 0.5123 0.5613 0.7440 -0.0146 0.0589 0.0564 136 PRO G CA 4225 C C . PRO C 136 ? 0.5860 0.6344 0.8060 -0.0252 0.0636 0.0462 136 PRO G C 4226 O O . PRO C 136 ? 0.6613 0.6980 0.8804 -0.0299 0.0743 0.0433 136 PRO G O 4227 C CB . PRO C 136 ? 0.5836 0.6366 0.8001 -0.0101 0.0462 0.0694 136 PRO G CB 4228 C CG . PRO C 136 ? 0.5982 0.6288 0.8039 -0.0048 0.0512 0.0827 136 PRO G CG 4229 C CD . PRO C 136 ? 0.4793 0.4958 0.7046 -0.0010 0.0625 0.0802 136 PRO G CD 4230 N N . SER C 137 ? 0.6271 0.6882 0.8397 -0.0290 0.0553 0.0406 137 SER G N 4231 C CA . SER C 137 ? 0.4959 0.5576 0.7000 -0.0356 0.0583 0.0302 137 SER G CA 4232 C C . SER C 137 ? 0.6136 0.6669 0.8004 -0.0368 0.0644 0.0337 137 SER G C 4233 O O . SER C 137 ? 0.6487 0.6965 0.8192 -0.0338 0.0613 0.0440 137 SER G O 4234 C CB . SER C 137 ? 0.4734 0.5440 0.6701 -0.0382 0.0471 0.0250 137 SER G CB 4235 O OG . SER C 137 ? 0.4755 0.5448 0.6656 -0.0415 0.0490 0.0150 137 SER G OG 4236 N N . SER C 138 ? 0.5589 0.6135 0.7493 -0.0413 0.0732 0.0253 138 SER G N 4237 C CA . SER C 138 ? 0.5173 0.5695 0.6950 -0.0433 0.0822 0.0271 138 SER G CA 4238 C C . SER C 138 ? 0.4591 0.5140 0.6142 -0.0404 0.0766 0.0242 138 SER G C 4239 O O . SER C 138 ? 0.5626 0.6156 0.7017 -0.0406 0.0847 0.0265 138 SER G O 4240 C CB . SER C 138 ? 0.4702 0.5295 0.6647 -0.0492 0.0926 0.0178 138 SER G CB 4241 O OG . SER C 138 ? 0.5528 0.6138 0.7401 -0.0525 0.1046 0.0205 138 SER G OG 4242 N N . GLY C 139 ? 0.4714 0.5289 0.6231 -0.0386 0.0641 0.0188 139 GLY G N 4243 C CA . GLY C 139 ? 0.5273 0.5818 0.6561 -0.0364 0.0575 0.0138 139 GLY G CA 4244 C C . GLY C 139 ? 0.5776 0.6341 0.7120 -0.0359 0.0524 0.0018 139 GLY G C 4245 O O . GLY C 139 ? 0.4299 0.4921 0.5842 -0.0376 0.0528 -0.0016 139 GLY G O 4246 N N . GLY C 140 ? 0.5682 0.6169 0.6813 -0.0330 0.0470 -0.0045 140 GLY G N 4247 C CA . GLY C 140 ? 0.5096 0.5542 0.6237 -0.0304 0.0420 -0.0150 140 GLY G CA 4248 C C . GLY C 140 ? 0.5326 0.5620 0.6263 -0.0327 0.0277 -0.0175 140 GLY G C 4249 O O . GLY C 140 ? 0.6146 0.6395 0.6922 -0.0361 0.0212 -0.0127 140 GLY G O 4250 N N . ASP C 141 ? 0.5662 0.5863 0.6596 -0.0316 0.0214 -0.0246 141 ASP G N 4251 C CA . ASP C 141 ? 0.5448 0.5451 0.6178 -0.0358 0.0080 -0.0278 141 ASP G CA 4252 C C . ASP C 141 ? 0.6059 0.6122 0.6865 -0.0478 -0.0013 -0.0191 141 ASP G C 4253 O O . ASP C 141 ? 0.5372 0.5603 0.6408 -0.0503 0.0029 -0.0124 141 ASP G O 4254 C CB . ASP C 141 ? 0.5442 0.5293 0.6151 -0.0315 0.0037 -0.0352 141 ASP G CB 4255 C CG . ASP C 141 ? 0.8071 0.7830 0.8658 -0.0176 0.0096 -0.0460 141 ASP G CG 4256 O OD1 . ASP C 141 ? 0.9492 0.9299 0.9973 -0.0136 0.0177 -0.0481 141 ASP G OD1 4257 O OD2 . ASP C 141 ? 0.6501 0.6141 0.7089 -0.0098 0.0064 -0.0520 141 ASP G OD2 4258 N N . PRO C 142 ? 0.5959 0.5900 0.6586 -0.0553 -0.0137 -0.0198 142 PRO G N 4259 C CA . PRO C 142 ? 0.5167 0.5248 0.5914 -0.0665 -0.0223 -0.0110 142 PRO G CA 4260 C C . PRO C 142 ? 0.5337 0.5514 0.6313 -0.0735 -0.0218 -0.0070 142 PRO G C 4261 O O . PRO C 142 ? 0.5293 0.5686 0.6479 -0.0778 -0.0216 0.0009 142 PRO G O 4262 C CB . PRO C 142 ? 0.5464 0.5377 0.5958 -0.0750 -0.0371 -0.0154 142 PRO G CB 4263 C CG . PRO C 142 ? 0.5713 0.5343 0.5931 -0.0672 -0.0353 -0.0276 142 PRO G CG 4264 C CD . PRO C 142 ? 0.4827 0.4538 0.5133 -0.0529 -0.0192 -0.0291 142 PRO G CD 4265 N N . GLU C 143 ? 0.5399 0.5425 0.6336 -0.0735 -0.0211 -0.0117 143 GLU G N 4266 C CA . GLU C 143 ? 0.5607 0.5717 0.6709 -0.0807 -0.0194 -0.0071 143 GLU G CA 4267 C C . GLU C 143 ? 0.5434 0.5753 0.6760 -0.0742 -0.0072 -0.0043 143 GLU G C 4268 O O . GLU C 143 ? 0.4870 0.5322 0.6348 -0.0801 -0.0040 -0.0001 143 GLU G O 4269 C CB . GLU C 143 ? 0.5391 0.5246 0.6342 -0.0819 -0.0233 -0.0110 143 GLU G CB 4270 C CG . GLU C 143 ? 0.8670 0.8329 0.9461 -0.0678 -0.0226 -0.0197 143 GLU G CG 4271 C CD . GLU C 143 ? 1.0263 0.9641 1.0786 -0.0688 -0.0319 -0.0263 143 GLU G CD 4272 O OE1 . GLU C 143 ? 1.0757 0.9884 1.1137 -0.0778 -0.0412 -0.0265 143 GLU G OE1 4273 O OE2 . GLU C 143 ? 1.0679 1.0063 1.1108 -0.0614 -0.0295 -0.0316 143 GLU G OE2 4274 N N . PHE C 144 ? 0.5147 0.5495 0.6490 -0.0634 0.0006 -0.0071 144 PHE G N 4275 C CA . PHE C 144 ? 0.3796 0.4295 0.5335 -0.0592 0.0114 -0.0060 144 PHE G CA 4276 C C . PHE C 144 ? 0.4193 0.4813 0.5837 -0.0559 0.0172 -0.0005 144 PHE G C 4277 O O . PHE C 144 ? 0.4935 0.5660 0.6755 -0.0550 0.0245 0.0018 144 PHE G O 4278 C CB . PHE C 144 ? 0.4404 0.4860 0.5932 -0.0514 0.0166 -0.0129 144 PHE G CB 4279 C CG . PHE C 144 ? 0.5375 0.5720 0.6830 -0.0520 0.0108 -0.0165 144 PHE G CG 4280 C CD1 . PHE C 144 ? 0.4259 0.4665 0.5797 -0.0556 0.0125 -0.0158 144 PHE G CD1 4281 C CD2 . PHE C 144 ? 0.5387 0.5536 0.6657 -0.0482 0.0032 -0.0206 144 PHE G CD2 4282 C CE1 . PHE C 144 ? 0.5180 0.5463 0.6607 -0.0560 0.0059 -0.0169 144 PHE G CE1 4283 C CE2 . PHE C 144 ? 0.4641 0.4644 0.5823 -0.0473 -0.0034 -0.0220 144 PHE G CE2 4284 C CZ . PHE C 144 ? 0.4841 0.4914 0.6095 -0.0515 -0.0026 -0.0191 144 PHE G CZ 4285 N N . VAL C 145 ? 0.3691 0.4270 0.5203 -0.0536 0.0139 0.0016 145 VAL G N 4286 C CA . VAL C 145 ? 0.4085 0.4748 0.5664 -0.0502 0.0176 0.0096 145 VAL G CA 4287 C C . VAL C 145 ? 0.4658 0.5455 0.6372 -0.0541 0.0104 0.0168 145 VAL G C 4288 O O . VAL C 145 ? 0.5179 0.6072 0.7048 -0.0495 0.0144 0.0237 145 VAL G O 4289 C CB . VAL C 145 ? 0.4206 0.4782 0.5554 -0.0466 0.0166 0.0106 145 VAL G CB 4290 C CG1 . VAL C 145 ? 0.5301 0.5812 0.6451 -0.0515 0.0020 0.0094 145 VAL G CG1 4291 C CG2 . VAL C 145 ? 0.4364 0.4981 0.5746 -0.0424 0.0220 0.0207 145 VAL G CG2 4292 N N . ASN C 146 ? 0.4182 0.4990 0.5858 -0.0624 -0.0001 0.0153 146 ASN G N 4293 C CA . ASN C 146 ? 0.5355 0.6356 0.7225 -0.0680 -0.0054 0.0209 146 ASN G CA 4294 C C . ASN C 146 ? 0.6121 0.7188 0.8144 -0.0723 0.0021 0.0183 146 ASN G C 4295 O O . ASN C 146 ? 0.6142 0.7069 0.8062 -0.0737 0.0059 0.0122 146 ASN G O 4296 C CB . ASN C 146 ? 0.4490 0.5491 0.6251 -0.0787 -0.0210 0.0212 146 ASN G CB 4297 C CG . ASN C 146 ? 0.4880 0.5803 0.6426 -0.0756 -0.0300 0.0225 146 ASN G CG 4298 O OD1 . ASN C 146 ? 0.5608 0.6677 0.7230 -0.0713 -0.0350 0.0307 146 ASN G OD1 4299 N ND2 . ASN C 146 ? 0.5513 0.6197 0.6769 -0.0766 -0.0325 0.0145 146 ASN G ND2 4300 N N . HIS C 147 ? 0.5409 0.6701 0.7674 -0.0733 0.0043 0.0230 147 HIS G N 4301 C CA . HIS C 147 ? 0.4941 0.6325 0.7313 -0.0811 0.0101 0.0211 147 HIS G CA 4302 C C . HIS C 147 ? 0.4852 0.6200 0.7119 -0.0964 -0.0006 0.0215 147 HIS G C 4303 O O . HIS C 147 ? 0.4419 0.5927 0.6783 -0.1033 -0.0101 0.0260 147 HIS G O 4304 C CB . HIS C 147 ? 0.4302 0.5967 0.6978 -0.0769 0.0173 0.0252 147 HIS G CB 4305 C CG . HIS C 147 ? 0.4991 0.6806 0.7771 -0.0873 0.0236 0.0243 147 HIS G CG 4306 N ND1 . HIS C 147 ? 0.5577 0.7254 0.8216 -0.0917 0.0318 0.0190 147 HIS G ND1 4307 C CD2 . HIS C 147 ? 0.4872 0.6978 0.7877 -0.0952 0.0230 0.0286 147 HIS G CD2 4308 C CE1 . HIS C 147 ? 0.5802 0.7649 0.8535 -0.1021 0.0374 0.0207 147 HIS G CE1 4309 N NE2 . HIS C 147 ? 0.5327 0.7451 0.8304 -0.1049 0.0332 0.0262 147 HIS G NE2 4310 N N . SER C 148 ? 0.3971 0.5097 0.6038 -0.1021 -0.0004 0.0171 148 SER G N 4311 C CA . SER C 148 ? 0.4486 0.5476 0.6402 -0.1170 -0.0103 0.0175 148 SER G CA 4312 C C . SER C 148 ? 0.5227 0.6241 0.7165 -0.1279 -0.0034 0.0197 148 SER G C 4313 O O . SER C 148 ? 0.4879 0.5911 0.6835 -0.1218 0.0076 0.0180 148 SER G O 4314 C CB . SER C 148 ? 0.5756 0.6400 0.7372 -0.1133 -0.0171 0.0115 148 SER G CB 4315 O OG . SER C 148 ? 0.7201 0.7826 0.8759 -0.1042 -0.0214 0.0094 148 SER G OG 4316 N N . PHE C 149 ? 0.4964 0.5967 0.6877 -0.1458 -0.0101 0.0235 149 PHE G N 4317 C CA . PHE C 149 ? 0.5028 0.6036 0.6921 -0.1583 -0.0023 0.0274 149 PHE G CA 4318 C C . PHE C 149 ? 0.5277 0.6108 0.7032 -0.1796 -0.0124 0.0313 149 PHE G C 4319 O O . PHE C 149 ? 0.4744 0.5590 0.6530 -0.1874 -0.0246 0.0308 149 PHE G O 4320 C CB . PHE C 149 ? 0.3853 0.5272 0.6061 -0.1592 0.0114 0.0306 149 PHE G CB 4321 C CG . PHE C 149 ? 0.4543 0.6303 0.7048 -0.1671 0.0063 0.0346 149 PHE G CG 4322 C CD1 . PHE C 149 ? 0.5040 0.6966 0.7715 -0.1535 0.0007 0.0338 149 PHE G CD1 4323 C CD2 . PHE C 149 ? 0.4914 0.6846 0.7534 -0.1886 0.0068 0.0403 149 PHE G CD2 4324 C CE1 . PHE C 149 ? 0.4926 0.7195 0.7886 -0.1594 -0.0067 0.0381 149 PHE G CE1 4325 C CE2 . PHE C 149 ? 0.5692 0.8002 0.8636 -0.1964 0.0006 0.0437 149 PHE G CE2 4326 C CZ . PHE C 149 ? 0.4775 0.7261 0.7892 -0.1808 -0.0072 0.0425 149 PHE G CZ 4327 N N A ASN C 150 ? 0.5108 0.5752 0.6687 -0.1900 -0.0080 0.0354 150 ASN G N 4328 N N B ASN C 150 ? 0.5112 0.5739 0.6679 -0.1893 -0.0083 0.0351 150 ASN G N 4329 C CA A ASN C 150 ? 0.5421 0.5834 0.6840 -0.2126 -0.0160 0.0406 150 ASN G CA 4330 C CA B ASN C 150 ? 0.5435 0.5858 0.6860 -0.2125 -0.0155 0.0407 150 ASN G CA 4331 C C A ASN C 150 ? 0.5276 0.6008 0.6901 -0.2329 -0.0050 0.0489 150 ASN G C 4332 C C B ASN C 150 ? 0.5223 0.6022 0.6903 -0.2315 -0.0048 0.0484 150 ASN G C 4333 O O A ASN C 150 ? 0.5975 0.6901 0.7671 -0.2289 0.0107 0.0512 150 ASN G O 4334 O O B ASN C 150 ? 0.5347 0.6446 0.7197 -0.2251 0.0108 0.0494 150 ASN G O 4335 C CB A ASN C 150 ? 0.4783 0.4698 0.5817 -0.2103 -0.0199 0.0415 150 ASN G CB 4336 C CB B ASN C 150 ? 0.4787 0.4739 0.5837 -0.2128 -0.0176 0.0430 150 ASN G CB 4337 C CG A ASN C 150 ? 0.6686 0.6255 0.7506 -0.2332 -0.0291 0.0473 150 ASN G CG 4338 C CG B ASN C 150 ? 0.4798 0.4828 0.5799 -0.2141 -0.0032 0.0491 150 ASN G CG 4339 O OD1 A ASN C 150 ? 0.6327 0.5668 0.7051 -0.2377 -0.0428 0.0426 150 ASN G OD1 4340 O OD1 B ASN C 150 ? 0.4670 0.5032 0.5866 -0.2043 0.0093 0.0466 150 ASN G OD1 4341 N ND2 A ASN C 150 ? 0.7351 0.6848 0.8063 -0.2486 -0.0213 0.0574 150 ASN G ND2 4342 N ND2 B ASN C 150 ? 0.5805 0.5486 0.6507 -0.2260 -0.0052 0.0569 150 ASN G ND2 4343 N N . CYS C 151 ? 0.4717 0.5517 0.6439 -0.2553 -0.0129 0.0526 151 CYS G N 4344 C CA . CYS C 151 ? 0.6674 0.7854 0.8660 -0.2770 -0.0023 0.0605 151 CYS G CA 4345 C C . CYS C 151 ? 0.7177 0.8150 0.9067 -0.3067 -0.0145 0.0650 151 CYS G C 4346 O O . CYS C 151 ? 0.6724 0.7631 0.8632 -0.3104 -0.0318 0.0598 151 CYS G O 4347 C CB . CYS C 151 ? 0.7947 0.9732 1.0409 -0.2692 0.0024 0.0585 151 CYS G CB 4348 S SG . CYS C 151 ? 1.0155 1.2525 1.3052 -0.2955 0.0143 0.0668 151 CYS G SG 4349 N N . GLY C 152 ? 0.8192 0.9029 0.9945 -0.3286 -0.0058 0.0747 152 GLY G N 4350 C CA . GLY C 152 ? 0.9352 0.9944 1.0999 -0.3605 -0.0162 0.0801 152 GLY G CA 4351 C C . GLY C 152 ? 1.0504 1.0478 1.1784 -0.3578 -0.0370 0.0736 152 GLY G C 4352 O O . GLY C 152 ? 1.1257 1.1139 1.2555 -0.3765 -0.0516 0.0707 152 GLY G O 4353 N N . GLY C 153 ? 1.1124 1.0687 1.2078 -0.3331 -0.0387 0.0697 153 GLY G N 4354 C CA . GLY C 153 ? 1.1783 1.0748 1.2382 -0.3270 -0.0559 0.0626 153 GLY G CA 4355 C C . GLY C 153 ? 1.1333 1.0380 1.2017 -0.3136 -0.0691 0.0492 153 GLY G C 4356 O O . GLY C 153 ? 1.0998 0.9582 1.1406 -0.3137 -0.0837 0.0415 153 GLY G O 4357 N N . GLU C 154 ? 1.0106 0.9707 1.1140 -0.3015 -0.0640 0.0462 154 GLU G N 4358 C CA . GLU C 154 ? 0.9003 0.8700 1.0091 -0.2872 -0.0754 0.0355 154 GLU G CA 4359 C C . GLU C 154 ? 0.7799 0.7740 0.9006 -0.2565 -0.0650 0.0327 154 GLU G C 4360 O O . GLU C 154 ? 0.8754 0.9019 1.0174 -0.2514 -0.0499 0.0384 154 GLU G O 4361 C CB . GLU C 154 ? 0.8986 0.9121 1.0399 -0.3062 -0.0840 0.0361 154 GLU G CB 4362 C CG . GLU C 154 ? 1.0478 1.0639 1.1856 -0.2953 -0.0996 0.0260 154 GLU G CG 4363 C CD . GLU C 154 ? 1.2837 1.3313 1.4445 -0.3192 -0.1146 0.0260 154 GLU G CD 4364 O OE1 . GLU C 154 ? 1.4034 1.4514 1.5567 -0.3136 -0.1300 0.0181 154 GLU G OE1 4365 O OE2 . GLU C 154 ? 1.3422 1.4157 1.5283 -0.3442 -0.1111 0.0340 154 GLU G OE2 4366 N N . PHE C 155 ? 0.7150 0.6920 0.8202 -0.2371 -0.0723 0.0233 155 PHE G N 4367 C CA . PHE C 155 ? 0.4850 0.4789 0.5982 -0.2099 -0.0632 0.0203 155 PHE G CA 4368 C C . PHE C 155 ? 0.4955 0.5264 0.6312 -0.2043 -0.0680 0.0187 155 PHE G C 4369 O O . PHE C 155 ? 0.4931 0.5162 0.6190 -0.2118 -0.0827 0.0141 155 PHE G O 4370 C CB . PHE C 155 ? 0.4976 0.4488 0.5787 -0.1912 -0.0655 0.0121 155 PHE G CB 4371 C CG . PHE C 155 ? 0.6939 0.6567 0.7819 -0.1684 -0.0530 0.0113 155 PHE G CG 4372 C CD1 . PHE C 155 ? 0.6615 0.6300 0.7494 -0.1495 -0.0519 0.0048 155 PHE G CD1 4373 C CD2 . PHE C 155 ? 0.5042 0.4719 0.5968 -0.1677 -0.0423 0.0170 155 PHE G CD2 4374 C CE1 . PHE C 155 ? 0.6267 0.6060 0.7226 -0.1317 -0.0407 0.0039 155 PHE G CE1 4375 C CE2 . PHE C 155 ? 0.5324 0.5108 0.6312 -0.1491 -0.0326 0.0149 155 PHE G CE2 4376 C CZ . PHE C 155 ? 0.5880 0.5724 0.6902 -0.1317 -0.0319 0.0082 155 PHE G CZ 4377 N N . PHE C 156 ? 0.5056 0.5737 0.6686 -0.1910 -0.0565 0.0223 156 PHE G N 4378 C CA . PHE C 156 ? 0.5713 0.6752 0.7577 -0.1839 -0.0607 0.0237 156 PHE G CA 4379 C C . PHE C 156 ? 0.5906 0.6954 0.7756 -0.1589 -0.0525 0.0216 156 PHE G C 4380 O O . PHE C 156 ? 0.7759 0.8693 0.9556 -0.1483 -0.0402 0.0201 156 PHE G O 4381 C CB . PHE C 156 ? 0.4545 0.6075 0.6823 -0.1923 -0.0551 0.0314 156 PHE G CB 4382 C CG . PHE C 156 ? 0.4500 0.6107 0.6858 -0.2200 -0.0620 0.0347 156 PHE G CG 4383 C CD1 . PHE C 156 ? 0.5926 0.7651 0.8344 -0.2341 -0.0805 0.0339 156 PHE G CD1 4384 C CD2 . PHE C 156 ? 0.5232 0.6795 0.7592 -0.2338 -0.0503 0.0388 156 PHE G CD2 4385 C CE1 . PHE C 156 ? 0.5654 0.7463 0.8172 -0.2632 -0.0872 0.0367 156 PHE G CE1 4386 C CE2 . PHE C 156 ? 0.5652 0.7282 0.8089 -0.2623 -0.0551 0.0431 156 PHE G CE2 4387 C CZ . PHE C 156 ? 0.5857 0.7614 0.8391 -0.2779 -0.0736 0.0417 156 PHE G CZ 4388 N N . TYR C 157 ? 0.5005 0.6193 0.6900 -0.1508 -0.0603 0.0223 157 TYR G N 4389 C CA . TYR C 157 ? 0.5193 0.6363 0.7047 -0.1298 -0.0537 0.0218 157 TYR G CA 4390 C C . TYR C 157 ? 0.5513 0.7047 0.7653 -0.1225 -0.0554 0.0296 157 TYR G C 4391 O O . TYR C 157 ? 0.4822 0.6496 0.6989 -0.1284 -0.0707 0.0323 157 TYR G O 4392 C CB . TYR C 157 ? 0.5502 0.6367 0.7002 -0.1250 -0.0618 0.0151 157 TYR G CB 4393 C CG . TYR C 157 ? 0.5054 0.5535 0.6267 -0.1285 -0.0618 0.0065 157 TYR G CG 4394 C CD1 . TYR C 157 ? 0.4414 0.4708 0.5483 -0.1459 -0.0737 0.0030 157 TYR G CD1 4395 C CD2 . TYR C 157 ? 0.5153 0.5451 0.6245 -0.1141 -0.0508 0.0018 157 TYR G CD2 4396 C CE1 . TYR C 157 ? 0.6055 0.5945 0.6847 -0.1465 -0.0744 -0.0044 157 TYR G CE1 4397 C CE2 . TYR C 157 ? 0.5552 0.5509 0.6404 -0.1137 -0.0519 -0.0058 157 TYR G CE2 4398 C CZ . TYR C 157 ? 0.5923 0.5654 0.6614 -0.1288 -0.0636 -0.0086 157 TYR G CZ 4399 O OH . TYR C 157 ? 0.6964 0.6308 0.7406 -0.1261 -0.0652 -0.0156 157 TYR G OH 4400 N N . CYS C 158 ? 0.5867 0.7537 0.8207 -0.1090 -0.0410 0.0328 158 CYS G N 4401 C CA . CYS C 158 ? 0.6203 0.8174 0.8821 -0.0978 -0.0412 0.0406 158 CYS G CA 4402 C C . CYS C 158 ? 0.6176 0.7999 0.8704 -0.0795 -0.0326 0.0420 158 CYS G C 4403 O O . CYS C 158 ? 0.6080 0.7750 0.8561 -0.0744 -0.0184 0.0374 158 CYS G O 4404 C CB . CYS C 158 ? 0.6154 0.8440 0.9138 -0.0988 -0.0305 0.0432 158 CYS G CB 4405 S SG . CYS C 158 ? 0.9002 1.1492 1.2121 -0.1238 -0.0367 0.0432 158 CYS G SG 4406 N N . ALA C 159 ? 0.5354 0.7221 0.7850 -0.0710 -0.0419 0.0489 159 ALA G N 4407 C CA . ALA C 159 ? 0.4803 0.6518 0.7209 -0.0556 -0.0336 0.0527 159 ALA G CA 4408 C C . ALA C 159 ? 0.5404 0.7246 0.8115 -0.0440 -0.0203 0.0560 159 ALA G C 4409 O O . ALA C 159 ? 0.5699 0.7822 0.8704 -0.0394 -0.0241 0.0617 159 ALA G O 4410 C CB . ALA C 159 ? 0.3591 0.5305 0.5844 -0.0501 -0.0480 0.0613 159 ALA G CB 4411 N N . SER C 160 ? 0.5561 0.7204 0.8212 -0.0389 -0.0047 0.0513 160 SER G N 4412 C CA . SER C 160 ? 0.4086 0.5780 0.6974 -0.0296 0.0093 0.0507 160 SER G CA 4413 C C . SER C 160 ? 0.4613 0.6160 0.7493 -0.0153 0.0139 0.0581 160 SER G C 4414 O O . SER C 160 ? 0.5423 0.6911 0.8440 -0.0075 0.0267 0.0556 160 SER G O 4415 C CB . SER C 160 ? 0.4603 0.6172 0.7434 -0.0356 0.0224 0.0395 160 SER G CB 4416 O OG . SER C 160 ? 0.5625 0.6950 0.8200 -0.0380 0.0240 0.0358 160 SER G OG 4417 N N . THR C 161 ? 0.4593 0.6051 0.7286 -0.0124 0.0038 0.0670 161 THR G N 4418 C CA . THR C 161 ? 0.6033 0.7300 0.8663 -0.0005 0.0081 0.0767 161 THR G CA 4419 C C . THR C 161 ? 0.6378 0.7726 0.9309 0.0144 0.0123 0.0820 161 THR G C 4420 O O . THR C 161 ? 0.6784 0.7908 0.9725 0.0222 0.0240 0.0834 161 THR G O 4421 C CB . THR C 161 ? 0.6533 0.7757 0.8919 0.0009 -0.0064 0.0881 161 THR G CB 4422 O OG1 . THR C 161 ? 0.8290 0.9447 1.0399 -0.0117 -0.0098 0.0806 161 THR G OG1 4423 C CG2 . THR C 161 ? 0.5641 0.6603 0.7880 0.0102 -0.0002 0.0995 161 THR G CG2 4424 N N . GLN C 162 ? 0.5285 0.6954 0.8481 0.0183 0.0034 0.0842 162 GLN G N 4425 C CA . GLN C 162 ? 0.5921 0.7704 0.9427 0.0364 0.0063 0.0898 162 GLN G CA 4426 C C . GLN C 162 ? 0.5784 0.7551 0.9480 0.0391 0.0256 0.0775 162 GLN G C 4427 O O . GLN C 162 ? 0.6163 0.7922 1.0073 0.0562 0.0322 0.0796 162 GLN G O 4428 C CB . GLN C 162 ? 0.5568 0.7770 0.9339 0.0400 -0.0100 0.0963 162 GLN G CB 4429 C CG . GLN C 162 ? 0.5254 0.7477 0.8847 0.0412 -0.0318 0.1098 162 GLN G CG 4430 C CD . GLN C 162 ? 0.8218 1.0899 1.2136 0.0460 -0.0497 0.1164 162 GLN G CD 4431 O OE1 . GLN C 162 ? 0.8568 1.1487 1.2493 0.0297 -0.0617 0.1125 162 GLN G OE1 4432 N NE2 . GLN C 162 ? 0.7707 1.0514 1.1913 0.0685 -0.0521 0.1263 162 GLN G NE2 4433 N N . LEU C 163 ? 0.5395 0.7137 0.8994 0.0239 0.0341 0.0645 163 LEU G N 4434 C CA . LEU C 163 ? 0.4920 0.6628 0.8626 0.0246 0.0516 0.0519 163 LEU G CA 4435 C C . LEU C 163 ? 0.6148 0.7469 0.9692 0.0269 0.0633 0.0472 163 LEU G C 4436 O O . LEU C 163 ? 0.6308 0.7546 0.9950 0.0330 0.0768 0.0381 163 LEU G O 4437 C CB . LEU C 163 ? 0.5532 0.7365 0.9171 0.0069 0.0540 0.0416 163 LEU G CB 4438 C CG . LEU C 163 ? 0.5886 0.8098 0.9764 0.0027 0.0541 0.0398 163 LEU G CG 4439 C CD1 . LEU C 163 ? 0.6569 0.9085 1.0682 0.0095 0.0400 0.0514 163 LEU G CD1 4440 C CD2 . LEU C 163 ? 0.3948 0.6174 0.7645 -0.0177 0.0513 0.0344 163 LEU G CD2 4441 N N . PHE C 164 ? 0.6340 0.7429 0.9637 0.0211 0.0592 0.0522 164 PHE G N 4442 C CA . PHE C 164 ? 0.6624 0.7378 0.9782 0.0185 0.0701 0.0477 164 PHE G CA 4443 C C . PHE C 164 ? 0.6458 0.6981 0.9516 0.0265 0.0669 0.0626 164 PHE G C 4444 O O . PHE C 164 ? 0.6110 0.6524 0.8946 0.0184 0.0637 0.0682 164 PHE G O 4445 C CB . PHE C 164 ? 0.6219 0.6932 0.9185 0.0018 0.0714 0.0389 164 PHE G CB 4446 C CG . PHE C 164 ? 0.5275 0.6185 0.8281 -0.0064 0.0719 0.0276 164 PHE G CG 4447 C CD1 . PHE C 164 ? 0.5148 0.6055 0.8243 -0.0060 0.0826 0.0160 164 PHE G CD1 4448 C CD2 . PHE C 164 ? 0.5332 0.6393 0.8249 -0.0150 0.0617 0.0286 164 PHE G CD2 4449 C CE1 . PHE C 164 ? 0.5486 0.6552 0.8568 -0.0144 0.0834 0.0075 164 PHE G CE1 4450 C CE2 . PHE C 164 ? 0.5341 0.6534 0.8264 -0.0235 0.0622 0.0204 164 PHE G CE2 4451 C CZ . PHE C 164 ? 0.4904 0.6107 0.7903 -0.0234 0.0731 0.0108 164 PHE G CZ 4452 N N . ALA C 165 ? 0.6706 0.7139 0.9915 0.0432 0.0687 0.0693 165 ALA G N 4453 C CA . ALA C 165 ? 0.6347 0.6513 0.9443 0.0523 0.0653 0.0859 165 ALA G CA 4454 C C . ALA C 165 ? 0.6947 0.6893 1.0209 0.0703 0.0727 0.0876 165 ALA G C 4455 O O . ALA C 165 ? 0.7370 0.7355 1.0749 0.0888 0.0641 0.1009 165 ALA G O 4456 C CB . ALA C 165 ? 0.6253 0.6620 0.9303 0.0579 0.0471 0.1015 165 ALA G CB 4457 N N . SER C 166 ? 0.6961 0.6666 1.0230 0.0659 0.0877 0.0739 166 SER G N 4458 C CA . SER C 166 ? 0.7378 0.6835 1.0790 0.0830 0.0965 0.0712 166 SER G CA 4459 C C . SER C 166 ? 0.8187 0.7210 1.1454 0.0715 0.1099 0.0615 166 SER G C 4460 O O . SER C 166 ? 0.9254 0.8283 1.2387 0.0506 0.1133 0.0527 166 SER G O 4461 C CB . SER C 166 ? 0.6316 0.6080 1.0001 0.0935 0.1015 0.0571 166 SER G CB 4462 O OG . SER C 166 ? 0.6635 0.6584 1.0276 0.0756 0.1072 0.0401 166 SER G OG 4463 N N . THR C 167 ? 0.8211 0.6857 1.1524 0.0859 0.1167 0.0627 167 THR G N 4464 C CA . THR C 167 ? 0.8825 0.7003 1.2020 0.0757 0.1291 0.0528 167 THR G CA 4465 C C . THR C 167 ? 0.8901 0.6939 1.2246 0.0906 0.1397 0.0353 167 THR G C 4466 O O . THR C 167 ? 0.9325 0.7465 1.2863 0.1156 0.1380 0.0394 167 THR G O 4467 C CB . THR C 167 ? 0.8913 0.6621 1.1938 0.0765 0.1282 0.0728 167 THR G CB 4468 O OG1 . THR C 167 ? 1.0796 0.8645 1.3646 0.0617 0.1209 0.0873 167 THR G OG1 4469 C CG2 . THR C 167 ? 0.6818 0.4019 0.9739 0.0633 0.1410 0.0621 167 THR G CG2 4470 N N . TRP C 168 ? 0.8237 0.6062 1.1496 0.0756 0.1504 0.0150 168 TRP G N 4471 C CA . TRP C 168 ? 0.7882 0.5583 1.1223 0.0866 0.1618 -0.0062 168 TRP G CA 4472 C C . TRP C 168 ? 0.9164 0.6300 1.2344 0.0742 0.1710 -0.0186 168 TRP G C 4473 O O . TRP C 168 ? 0.8700 0.5798 1.1742 0.0477 0.1708 -0.0251 168 TRP G O 4474 C CB . TRP C 168 ? 0.8082 0.6236 1.1467 0.0786 0.1643 -0.0242 168 TRP G CB 4475 C CG . TRP C 168 ? 0.8677 0.7371 1.2220 0.0863 0.1553 -0.0127 168 TRP G CG 4476 C CD1 . TRP C 168 ? 0.8025 0.7030 1.1514 0.0717 0.1443 -0.0026 168 TRP G CD1 4477 C CD2 . TRP C 168 ? 0.8041 0.7025 1.1836 0.1101 0.1565 -0.0106 168 TRP G CD2 4478 N NE1 . TRP C 168 ? 0.7135 0.6575 1.0804 0.0826 0.1375 0.0053 168 TRP G NE1 4479 C CE2 . TRP C 168 ? 0.7191 0.6660 1.1071 0.1056 0.1448 0.0010 168 TRP G CE2 4480 C CE3 . TRP C 168 ? 0.7772 0.6665 1.1743 0.1350 0.1668 -0.0184 168 TRP G CE3 4481 C CZ2 . TRP C 168 ? 0.6978 0.6871 1.1135 0.1223 0.1422 0.0058 168 TRP G CZ2 4482 C CZ3 . TRP C 168 ? 0.8447 0.7792 1.2712 0.1542 0.1656 -0.0136 168 TRP G CZ3 4483 C CH2 . TRP C 168 ? 0.7608 0.7463 1.1975 0.1465 0.1529 -0.0012 168 TRP G CH2 4484 N N . PHE C 169 ? 1.0435 0.7138 1.3645 0.0935 0.1786 -0.0227 169 PHE G N 4485 C CA . PHE C 169 ? 1.1034 0.7128 1.4081 0.0818 0.1872 -0.0357 169 PHE G CA 4486 C C . PHE C 169 ? 1.1030 0.7061 1.4057 0.0841 0.1985 -0.0669 169 PHE G C 4487 O O . PHE C 169 ? 1.2388 0.7868 1.5299 0.0827 0.2067 -0.0814 169 PHE G O 4488 C CB . PHE C 169 ? 1.2392 0.7912 1.5422 0.1003 0.1882 -0.0196 169 PHE G CB 4489 C CG . PHE C 169 ? 1.2858 0.8374 1.5839 0.0977 0.1777 0.0121 169 PHE G CG 4490 C CD1 . PHE C 169 ? 1.4161 0.9321 1.6948 0.0720 0.1782 0.0217 169 PHE G CD1 4491 C CD2 . PHE C 169 ? 1.2126 0.8005 1.5248 0.1200 0.1674 0.0321 169 PHE G CD2 4492 C CE1 . PHE C 169 ? 1.4054 0.9202 1.6748 0.0694 0.1704 0.0509 169 PHE G CE1 4493 C CE2 . PHE C 169 ? 1.2350 0.8209 1.5371 0.1176 0.1570 0.0605 169 PHE G CE2 4494 C CZ . PHE C 169 ? 1.3318 0.8802 1.6106 0.0927 0.1594 0.0701 169 PHE G CZ 4495 N N . GLN D 1 ? 0.9889 0.8755 1.2419 0.0105 0.0990 0.1320 1 GLN H N 4496 C CA . GLN D 1 ? 0.9412 0.8422 1.1792 0.0028 0.0823 0.1143 1 GLN H CA 4497 C C . GLN D 1 ? 0.9025 0.7906 1.1226 -0.0142 0.0741 0.0825 1 GLN H C 4498 O O . GLN D 1 ? 0.9725 0.8355 1.1989 -0.0197 0.0849 0.0624 1 GLN H O 4499 C CB . GLN D 1 ? 1.0606 0.9535 1.3166 0.0116 0.0938 0.1134 1 GLN H CB 4500 C CG . GLN D 1 ? 1.2265 1.0795 1.5030 0.0149 0.1212 0.1062 1 GLN H CG 4501 C CD . GLN D 1 ? 1.4243 1.2626 1.7100 0.0163 0.1318 0.0920 1 GLN H CD 4502 O OE1 . GLN D 1 ? 1.4783 1.3362 1.7544 0.0144 0.1171 0.0857 1 GLN H OE1 4503 N NE2 . GLN D 1 ? 1.4823 1.2844 1.7859 0.0186 0.1593 0.0860 1 GLN H NE2 4504 N N . VAL D 2 ? 0.8329 0.7396 1.0306 -0.0232 0.0562 0.0787 2 VAL H N 4505 C CA . VAL D 2 ? 0.7805 0.6808 0.9629 -0.0372 0.0480 0.0529 2 VAL H CA 4506 C C . VAL D 2 ? 0.7194 0.6227 0.8994 -0.0400 0.0424 0.0363 2 VAL H C 4507 O O . VAL D 2 ? 0.7326 0.6553 0.9085 -0.0358 0.0338 0.0434 2 VAL H O 4508 C CB . VAL D 2 ? 0.6509 0.5687 0.8112 -0.0445 0.0336 0.0551 2 VAL H CB 4509 C CG1 . VAL D 2 ? 0.6122 0.5246 0.7605 -0.0564 0.0274 0.0319 2 VAL H CG1 4510 C CG2 . VAL D 2 ? 0.7020 0.6173 0.8632 -0.0423 0.0396 0.0715 2 VAL H CG2 4511 N N . GLN D 3 ? 0.6765 0.5630 0.8583 -0.0483 0.0472 0.0144 3 GLN H N 4512 C CA . GLN D 3 ? 0.6919 0.5822 0.8692 -0.0526 0.0418 -0.0025 3 GLN H CA 4513 C C . GLN D 3 ? 0.6864 0.5761 0.8534 -0.0659 0.0356 -0.0229 3 GLN H C 4514 O O . GLN D 3 ? 0.7521 0.6281 0.9244 -0.0729 0.0435 -0.0310 3 GLN H O 4515 C CB . GLN D 3 ? 0.7929 0.6652 0.9865 -0.0485 0.0578 -0.0074 3 GLN H CB 4516 C CG . GLN D 3 ? 1.0186 0.8948 1.2263 -0.0331 0.0651 0.0144 3 GLN H CG 4517 C CD . GLN D 3 ? 1.1887 1.0461 1.4108 -0.0295 0.0821 0.0069 3 GLN H CD 4518 O OE1 . GLN D 3 ? 1.1305 0.9771 1.3470 -0.0404 0.0842 -0.0167 3 GLN H OE1 4519 N NE2 . GLN D 3 ? 1.3226 1.1773 1.5637 -0.0144 0.0953 0.0279 3 GLN H NE2 4520 N N . LEU D 4 ? 0.5617 0.4678 0.7152 -0.0694 0.0222 -0.0299 4 LEU H N 4521 C CA . LEU D 4 ? 0.5577 0.4689 0.7036 -0.0799 0.0160 -0.0464 4 LEU H CA 4522 C C . LEU D 4 ? 0.5812 0.4970 0.7258 -0.0817 0.0139 -0.0585 4 LEU H C 4523 O O . LEU D 4 ? 0.6061 0.5339 0.7436 -0.0770 0.0060 -0.0548 4 LEU H O 4524 C CB . LEU D 4 ? 0.5200 0.4454 0.6515 -0.0816 0.0050 -0.0420 4 LEU H CB 4525 C CG . LEU D 4 ? 0.6221 0.5439 0.7514 -0.0807 0.0072 -0.0300 4 LEU H CG 4526 C CD1 . LEU D 4 ? 0.7085 0.6400 0.8233 -0.0846 0.0002 -0.0299 4 LEU H CD1 4527 C CD2 . LEU D 4 ? 0.6019 0.5090 0.7434 -0.0848 0.0173 -0.0337 4 LEU H CD2 4528 N N . VAL D 5 ? 0.5572 0.4640 0.7077 -0.0898 0.0214 -0.0735 5 VAL H N 4529 C CA . VAL D 5 ? 0.6321 0.5420 0.7803 -0.0935 0.0214 -0.0868 5 VAL H CA 4530 C C . VAL D 5 ? 0.6677 0.5929 0.8083 -0.1060 0.0136 -0.1003 5 VAL H C 4531 O O . VAL D 5 ? 0.6941 0.6170 0.8385 -0.1164 0.0177 -0.1078 5 VAL H O 4532 C CB . VAL D 5 ? 0.6582 0.5459 0.8176 -0.0949 0.0391 -0.0941 5 VAL H CB 4533 C CG1 . VAL D 5 ? 0.4971 0.3877 0.6516 -0.0998 0.0399 -0.1087 5 VAL H CG1 4534 C CG2 . VAL D 5 ? 0.6191 0.4946 0.7902 -0.0802 0.0484 -0.0758 5 VAL H CG2 4535 N N . GLN D 6 ? 0.6175 0.5602 0.7488 -0.1050 0.0031 -0.1021 6 GLN H N 4536 C CA . GLN D 6 ? 0.4987 0.4616 0.6241 -0.1141 -0.0050 -0.1100 6 GLN H CA 4537 C C . GLN D 6 ? 0.6348 0.6034 0.7570 -0.1230 -0.0033 -0.1253 6 GLN H C 4538 O O . GLN D 6 ? 0.7088 0.6650 0.8316 -0.1200 0.0034 -0.1296 6 GLN H O 4539 C CB . GLN D 6 ? 0.4499 0.4286 0.5670 -0.1072 -0.0157 -0.1006 6 GLN H CB 4540 C CG . GLN D 6 ? 0.5180 0.4914 0.6340 -0.1007 -0.0165 -0.0874 6 GLN H CG 4541 C CD . GLN D 6 ? 0.4904 0.4764 0.5974 -0.0971 -0.0232 -0.0812 6 GLN H CD 4542 O OE1 . GLN D 6 ? 0.4330 0.4144 0.5338 -0.0920 -0.0238 -0.0723 6 GLN H OE1 4543 N NE2 . GLN D 6 ? 0.5674 0.5700 0.6732 -0.1006 -0.0272 -0.0854 6 GLN H NE2 4544 N N . SER D 7 ? 0.7024 0.6926 0.8214 -0.1339 -0.0093 -0.1321 7 SER H N 4545 C CA . SER D 7 ? 0.6236 0.6259 0.7365 -0.1452 -0.0095 -0.1465 7 SER H CA 4546 C C . SER D 7 ? 0.5920 0.6045 0.6968 -0.1365 -0.0164 -0.1431 7 SER H C 4547 O O . SER D 7 ? 0.5825 0.5959 0.6862 -0.1239 -0.0218 -0.1302 7 SER H O 4548 C CB . SER D 7 ? 0.6058 0.6358 0.7185 -0.1599 -0.0153 -0.1514 7 SER H CB 4549 O OG . SER D 7 ? 0.5851 0.6372 0.6988 -0.1524 -0.0258 -0.1368 7 SER H OG 4550 N N . GLY D 8 ? 0.6570 0.6770 0.7548 -0.1452 -0.0151 -0.1558 8 GLY H N 4551 C CA . GLY D 8 ? 0.6262 0.6522 0.7168 -0.1378 -0.0189 -0.1544 8 GLY H CA 4552 C C . GLY D 8 ? 0.6655 0.7210 0.7510 -0.1350 -0.0310 -0.1457 8 GLY H C 4553 O O . GLY D 8 ? 0.7801 0.8553 0.8683 -0.1392 -0.0366 -0.1403 8 GLY H O 4554 N N . ALA D 9 ? 0.6938 0.7519 0.7734 -0.1270 -0.0335 -0.1431 9 ALA H N 4555 C CA . ALA D 9 ? 0.6319 0.7142 0.7072 -0.1223 -0.0419 -0.1337 9 ALA H CA 4556 C C . ALA D 9 ? 0.6011 0.7147 0.6732 -0.1349 -0.0466 -0.1378 9 ALA H C 4557 O O . ALA D 9 ? 0.6285 0.7454 0.6959 -0.1490 -0.0437 -0.1525 9 ALA H O 4558 C CB . ALA D 9 ? 0.4503 0.5286 0.5196 -0.1141 -0.0417 -0.1333 9 ALA H CB 4559 N N . GLU D 10 ? 0.5454 0.6835 0.6201 -0.1302 -0.0529 -0.1239 10 GLU H N 4560 C CA . GLU D 10 ? 0.6784 0.8548 0.7528 -0.1406 -0.0588 -0.1221 10 GLU H CA 4561 C C . GLU D 10 ? 0.6439 0.8429 0.7168 -0.1307 -0.0628 -0.1077 10 GLU H C 4562 O O . GLU D 10 ? 0.7822 0.9698 0.8589 -0.1161 -0.0605 -0.0951 10 GLU H O 4563 C CB . GLU D 10 ? 0.8368 1.0272 0.9222 -0.1456 -0.0607 -0.1151 10 GLU H CB 4564 C CG . GLU D 10 ? 0.9321 1.0959 1.0216 -0.1522 -0.0549 -0.1256 10 GLU H CG 4565 C CD . GLU D 10 ? 1.0704 1.2452 1.1566 -0.1738 -0.0537 -0.1425 10 GLU H CD 4566 O OE1 . GLU D 10 ? 1.1601 1.3669 1.2394 -0.1852 -0.0589 -0.1465 10 GLU H OE1 4567 O OE2 . GLU D 10 ? 1.1417 1.2936 1.2316 -0.1805 -0.0468 -0.1519 10 GLU H OE2 4568 N N . VAL D 11 ? 0.6138 0.8449 0.6804 -0.1396 -0.0675 -0.1097 11 VAL H N 4569 C CA . VAL D 11 ? 0.6482 0.9093 0.7158 -0.1313 -0.0710 -0.0926 11 VAL H CA 4570 C C . VAL D 11 ? 0.6469 0.9542 0.7223 -0.1400 -0.0774 -0.0818 11 VAL H C 4571 O O . VAL D 11 ? 0.7123 1.0403 0.7821 -0.1592 -0.0817 -0.0941 11 VAL H O 4572 C CB . VAL D 11 ? 0.6450 0.9115 0.6991 -0.1331 -0.0715 -0.0998 11 VAL H CB 4573 C CG1 . VAL D 11 ? 0.6494 0.9455 0.7064 -0.1223 -0.0735 -0.0793 11 VAL H CG1 4574 C CG2 . VAL D 11 ? 0.3789 0.6028 0.4277 -0.1257 -0.0651 -0.1104 11 VAL H CG2 4575 N N . LYS D 12 ? 0.6294 0.9535 0.7183 -0.1268 -0.0767 -0.0586 12 LYS H N 4576 C CA . LYS D 12 ? 0.5547 0.9257 0.6562 -0.1317 -0.0819 -0.0427 12 LYS H CA 4577 C C . LYS D 12 ? 0.6431 1.0461 0.7527 -0.1176 -0.0812 -0.0168 12 LYS H C 4578 O O . LYS D 12 ? 0.8016 1.1804 0.9122 -0.1003 -0.0731 -0.0080 12 LYS H O 4579 C CB . LYS D 12 ? 0.5680 0.9274 0.6845 -0.1284 -0.0784 -0.0363 12 LYS H CB 4580 C CG . LYS D 12 ? 0.5521 0.8861 0.6641 -0.1429 -0.0784 -0.0583 12 LYS H CG 4581 C CD . LYS D 12 ? 0.5184 0.8909 0.6290 -0.1660 -0.0860 -0.0671 12 LYS H CD 4582 C CE . LYS D 12 ? 0.4563 0.7993 0.5614 -0.1817 -0.0827 -0.0911 12 LYS H CE 4583 N NZ . LYS D 12 ? 0.5865 0.9676 0.6888 -0.2075 -0.0885 -0.1014 12 LYS H NZ 4584 N N . LYS D 13 ? 0.5963 1.0557 0.7118 -0.1258 -0.0889 -0.0039 13 LYS H N 4585 C CA . LYS D 13 ? 0.6099 1.1080 0.7383 -0.1115 -0.0874 0.0264 13 LYS H CA 4586 C C . LYS D 13 ? 0.6777 1.1722 0.8294 -0.0947 -0.0782 0.0496 13 LYS H C 4587 O O . LYS D 13 ? 0.5964 1.0802 0.7555 -0.1000 -0.0780 0.0443 13 LYS H O 4588 C CB . LYS D 13 ? 0.6236 1.1900 0.7519 -0.1273 -0.0995 0.0347 13 LYS H CB 4589 C CG . LYS D 13 ? 0.6715 1.2583 0.7823 -0.1324 -0.1042 0.0313 13 LYS H CG 4590 C CD . LYS D 13 ? 0.7720 1.3239 0.8576 -0.1495 -0.1059 -0.0046 13 LYS H CD 4591 C CE . LYS D 13 ? 0.8588 1.4233 0.9270 -0.1513 -0.1076 -0.0076 13 LYS H CE 4592 N NZ . LYS D 13 ? 0.9081 1.5379 0.9737 -0.1614 -0.1158 0.0081 13 LYS H NZ 4593 N N . PRO D 14 ? 0.7163 1.2173 0.8803 -0.0742 -0.0683 0.0756 14 PRO H N 4594 C CA . PRO D 14 ? 0.5257 1.0269 0.7136 -0.0583 -0.0564 0.1000 14 PRO H CA 4595 C C . PRO D 14 ? 0.5680 1.1254 0.7738 -0.0670 -0.0649 0.1151 14 PRO H C 4596 O O . PRO D 14 ? 0.6929 1.3072 0.8990 -0.0775 -0.0769 0.1231 14 PRO H O 4597 C CB . PRO D 14 ? 0.3642 0.8714 0.5613 -0.0371 -0.0436 0.1260 14 PRO H CB 4598 C CG . PRO D 14 ? 0.5601 1.0452 0.7343 -0.0402 -0.0463 0.1078 14 PRO H CG 4599 C CD . PRO D 14 ? 0.6480 1.1511 0.8047 -0.0641 -0.0644 0.0833 14 PRO H CD 4600 N N . GLY D 15 ? 0.5494 1.0926 0.7696 -0.0639 -0.0587 0.1190 15 GLY H N 4601 C CA . GLY D 15 ? 0.5499 1.1421 0.7888 -0.0727 -0.0657 0.1321 15 GLY H CA 4602 C C . GLY D 15 ? 0.5936 1.1805 0.8211 -0.0974 -0.0776 0.1036 15 GLY H C 4603 O O . GLY D 15 ? 0.7224 1.3311 0.9660 -0.1035 -0.0794 0.1104 15 GLY H O 4604 N N . ALA D 16 ? 0.5120 1.0697 0.7137 -0.1113 -0.0838 0.0727 16 ALA H N 4605 C CA . ALA D 16 ? 0.5097 1.0573 0.6999 -0.1347 -0.0916 0.0446 16 ALA H CA 4606 C C . ALA D 16 ? 0.5190 1.0129 0.7126 -0.1291 -0.0823 0.0350 16 ALA H C 4607 O O . ALA D 16 ? 0.5446 1.0101 0.7471 -0.1091 -0.0705 0.0485 16 ALA H O 4608 C CB . ALA D 16 ? 0.3429 0.8731 0.5062 -0.1489 -0.0971 0.0168 16 ALA H CB 4609 N N . SER D 17 ? 0.5189 0.9987 0.7043 -0.1482 -0.0865 0.0113 17 SER H N 4610 C CA . SER D 17 ? 0.4816 0.9118 0.6673 -0.1460 -0.0790 -0.0003 17 SER H CA 4611 C C . SER D 17 ? 0.4696 0.8535 0.6336 -0.1536 -0.0782 -0.0289 17 SER H C 4612 O O . SER D 17 ? 0.6007 0.9946 0.7504 -0.1670 -0.0839 -0.0440 17 SER H O 4613 C CB . SER D 17 ? 0.3881 0.8404 0.5870 -0.1608 -0.0818 -0.0011 17 SER H CB 4614 O OG . SER D 17 ? 0.5611 1.0530 0.7839 -0.1511 -0.0804 0.0278 17 SER H OG 4615 N N . VAL D 18 ? 0.4142 0.7487 0.5763 -0.1452 -0.0701 -0.0353 18 VAL H N 4616 C CA . VAL D 18 ? 0.5828 0.8742 0.7291 -0.1508 -0.0678 -0.0587 18 VAL H CA 4617 C C . VAL D 18 ? 0.6088 0.8729 0.7607 -0.1541 -0.0624 -0.0648 18 VAL H C 4618 O O . VAL D 18 ? 0.6494 0.9103 0.8131 -0.1443 -0.0579 -0.0503 18 VAL H O 4619 C CB . VAL D 18 ? 0.5220 0.7807 0.6578 -0.1347 -0.0633 -0.0583 18 VAL H CB 4620 C CG1 . VAL D 18 ? 0.5715 0.8108 0.7149 -0.1172 -0.0553 -0.0422 18 VAL H CG1 4621 C CG2 . VAL D 18 ? 0.4389 0.6590 0.5613 -0.1396 -0.0609 -0.0793 18 VAL H CG2 4622 N N . LYS D 19 ? 0.5496 0.7942 0.6936 -0.1683 -0.0611 -0.0857 19 LYS H N 4623 C CA . LYS D 19 ? 0.4776 0.6943 0.6266 -0.1718 -0.0547 -0.0920 19 LYS H CA 4624 C C . LYS D 19 ? 0.5773 0.7475 0.7154 -0.1671 -0.0482 -0.1047 19 LYS H C 4625 O O . LYS D 19 ? 0.6994 0.8603 0.8288 -0.1779 -0.0462 -0.1218 19 LYS H O 4626 C CB . LYS D 19 ? 0.4005 0.6389 0.5545 -0.1945 -0.0560 -0.1031 19 LYS H CB 4627 C CG . LYS D 19 ? 0.5457 0.7646 0.7103 -0.1960 -0.0493 -0.1024 19 LYS H CG 4628 C CD . LYS D 19 ? 0.5435 0.7935 0.7168 -0.2183 -0.0513 -0.1087 19 LYS H CD 4629 C CE . LYS D 19 ? 0.5601 0.7893 0.7446 -0.2189 -0.0436 -0.1073 19 LYS H CE 4630 N NZ . LYS D 19 ? 0.7462 1.0000 0.9375 -0.2444 -0.0436 -0.1183 19 LYS H NZ 4631 N N . VAL D 20 ? 0.5316 0.6745 0.6703 -0.1517 -0.0439 -0.0958 20 VAL H N 4632 C CA . VAL D 20 ? 0.5344 0.6387 0.6655 -0.1452 -0.0383 -0.1025 20 VAL H CA 4633 C C . VAL D 20 ? 0.6145 0.6964 0.7516 -0.1498 -0.0312 -0.1065 20 VAL H C 4634 O O . VAL D 20 ? 0.6575 0.7446 0.8034 -0.1496 -0.0301 -0.0981 20 VAL H O 4635 C CB . VAL D 20 ? 0.5515 0.6428 0.6779 -0.1282 -0.0379 -0.0902 20 VAL H CB 4636 C CG1 . VAL D 20 ? 0.4795 0.5397 0.5984 -0.1224 -0.0342 -0.0953 20 VAL H CG1 4637 C CG2 . VAL D 20 ? 0.4804 0.5953 0.6036 -0.1233 -0.0429 -0.0837 20 VAL H CG2 4638 N N . SER D 21 ? 0.5868 0.6433 0.7205 -0.1531 -0.0248 -0.1182 21 SER H N 4639 C CA . SER D 21 ? 0.5082 0.5409 0.6485 -0.1561 -0.0157 -0.1207 21 SER H CA 4640 C C . SER D 21 ? 0.4630 0.4659 0.6006 -0.1420 -0.0108 -0.1142 21 SER H C 4641 O O . SER D 21 ? 0.5556 0.5561 0.6860 -0.1328 -0.0140 -0.1112 21 SER H O 4642 C CB . SER D 21 ? 0.4692 0.4971 0.6111 -0.1739 -0.0082 -0.1388 21 SER H CB 4643 O OG . SER D 21 ? 0.6301 0.6407 0.7652 -0.1732 -0.0026 -0.1488 21 SER H OG 4644 N N . CYS D 22 ? 0.6288 0.6117 0.7728 -0.1410 -0.0029 -0.1108 22 CYS H N 4645 C CA . CYS D 22 ? 0.5700 0.5308 0.7125 -0.1279 0.0012 -0.1007 22 CYS H CA 4646 C C . CYS D 22 ? 0.6764 0.6147 0.8283 -0.1306 0.0135 -0.1013 22 CYS H C 4647 O O . CYS D 22 ? 0.8221 0.7597 0.9791 -0.1331 0.0154 -0.0965 22 CYS H O 4648 C CB . CYS D 22 ? 0.6457 0.6127 0.7829 -0.1186 -0.0050 -0.0866 22 CYS H CB 4649 S SG . CYS D 22 ? 0.7994 0.7464 0.9338 -0.1073 -0.0007 -0.0726 22 CYS H SG 4650 N N . LYS D 23 ? 0.5654 0.4847 0.7207 -0.1297 0.0235 -0.1066 23 LYS H N 4651 C CA . LYS D 23 ? 0.5960 0.4902 0.7619 -0.1308 0.0390 -0.1063 23 LYS H CA 4652 C C . LYS D 23 ? 0.5383 0.4212 0.7064 -0.1147 0.0411 -0.0868 23 LYS H C 4653 O O . LYS D 23 ? 0.5825 0.4667 0.7474 -0.1040 0.0381 -0.0792 23 LYS H O 4654 C CB . LYS D 23 ? 0.5794 0.4563 0.7492 -0.1372 0.0528 -0.1205 23 LYS H CB 4655 C CG . LYS D 23 ? 0.7279 0.5773 0.9097 -0.1423 0.0726 -0.1238 23 LYS H CG 4656 C CD . LYS D 23 ? 0.9416 0.7700 1.1263 -0.1504 0.0903 -0.1400 23 LYS H CD 4657 C CE . LYS D 23 ? 1.0637 0.8675 1.2581 -0.1634 0.1108 -0.1501 23 LYS H CE 4658 N NZ . LYS D 23 ? 1.0779 0.8664 1.2839 -0.1509 0.1179 -0.1308 23 LYS H NZ 4659 N N . ALA D 24 ? 0.5655 0.4401 0.7390 -0.1140 0.0461 -0.0783 24 ALA H N 4660 C CA . ALA D 24 ? 0.6147 0.4819 0.7896 -0.1009 0.0484 -0.0587 24 ALA H CA 4661 C C . ALA D 24 ? 0.5627 0.4047 0.7521 -0.0972 0.0672 -0.0540 24 ALA H C 4662 O O . ALA D 24 ? 0.7634 0.5905 0.9613 -0.1076 0.0796 -0.0661 24 ALA H O 4663 C CB . ALA D 24 ? 0.7086 0.5832 0.8788 -0.1018 0.0429 -0.0505 24 ALA H CB 4664 N N . SER D 25 ? 0.5352 0.3739 0.7281 -0.0827 0.0703 -0.0353 25 SER H N 4665 C CA . SER D 25 ? 0.6849 0.5008 0.8943 -0.0753 0.0900 -0.0248 25 SER H CA 4666 C C . SER D 25 ? 0.6800 0.5050 0.8902 -0.0603 0.0873 0.0024 25 SER H C 4667 O O . SER D 25 ? 0.7143 0.5620 0.9118 -0.0565 0.0712 0.0104 25 SER H O 4668 C CB . SER D 25 ? 0.6370 0.4375 0.8563 -0.0733 0.1039 -0.0324 25 SER H CB 4669 O OG . SER D 25 ? 0.8902 0.7087 1.1012 -0.0689 0.0911 -0.0332 25 SER H OG 4670 N N . GLY D 26 ? 0.6631 0.4711 0.8879 -0.0531 0.1040 0.0169 26 GLY H N 4671 C CA . GLY D 26 ? 0.6617 0.4809 0.8894 -0.0389 0.1034 0.0457 26 GLY H CA 4672 C C . GLY D 26 ? 0.7412 0.5700 0.9581 -0.0413 0.0957 0.0553 26 GLY H C 4673 O O . GLY D 26 ? 0.7697 0.6108 0.9868 -0.0314 0.0948 0.0798 26 GLY H O 4674 N N . TYR D 27 ? 0.7011 0.5266 0.9089 -0.0544 0.0906 0.0381 27 TYR H N 4675 C CA . TYR D 27 ? 0.6194 0.4513 0.8171 -0.0572 0.0856 0.0460 27 TYR H CA 4676 C C . TYR D 27 ? 0.7061 0.5238 0.9073 -0.0699 0.0911 0.0282 27 TYR H C 4677 O O . TYR D 27 ? 0.7861 0.5957 0.9934 -0.0787 0.0946 0.0087 27 TYR H O 4678 C CB . TYR D 27 ? 0.5716 0.4290 0.7471 -0.0594 0.0662 0.0477 27 TYR H CB 4679 C CG . TYR D 27 ? 0.6146 0.4780 0.7802 -0.0699 0.0556 0.0257 27 TYR H CG 4680 C CD1 . TYR D 27 ? 0.5104 0.3806 0.6748 -0.0700 0.0493 0.0155 27 TYR H CD1 4681 C CD2 . TYR D 27 ? 0.5766 0.4401 0.7354 -0.0788 0.0530 0.0173 27 TYR H CD2 4682 C CE1 . TYR D 27 ? 0.4562 0.3342 0.6126 -0.0786 0.0402 -0.0018 27 TYR H CE1 4683 C CE2 . TYR D 27 ? 0.4495 0.3217 0.6022 -0.0865 0.0445 0.0013 27 TYR H CE2 4684 C CZ . TYR D 27 ? 0.5834 0.4632 0.7347 -0.0863 0.0380 -0.0078 27 TYR H CZ 4685 O OH . TYR D 27 ? 0.6456 0.5361 0.7918 -0.0930 0.0303 -0.0210 27 TYR H OH 4686 N N . THR D 28 ? 0.6937 0.5110 0.8908 -0.0720 0.0920 0.0355 28 THR H N 4687 C CA . THR D 28 ? 0.7128 0.5207 0.9149 -0.0840 0.0970 0.0213 28 THR H CA 4688 C C . THR D 28 ? 0.7078 0.5328 0.8987 -0.0935 0.0822 0.0052 28 THR H C 4689 O O . THR D 28 ? 0.6500 0.4889 0.8264 -0.0929 0.0721 0.0102 28 THR H O 4690 C CB . THR D 28 ? 0.7065 0.5099 0.9073 -0.0826 0.1025 0.0350 28 THR H CB 4691 O OG1 . THR D 28 ? 0.8402 0.6293 1.0528 -0.0723 0.1172 0.0531 28 THR H OG1 4692 C CG2 . THR D 28 ? 0.6083 0.4040 0.8171 -0.0954 0.1082 0.0207 28 THR H CG2 4693 N N . PHE D 29 ? 0.7092 0.5335 0.9070 -0.1031 0.0828 -0.0138 29 PHE H N 4694 C CA . PHE D 29 ? 0.6954 0.5398 0.8847 -0.1101 0.0689 -0.0263 29 PHE H CA 4695 C C . PHE D 29 ? 0.6638 0.5190 0.8487 -0.1145 0.0642 -0.0243 29 PHE H C 4696 O O . PHE D 29 ? 0.6577 0.5284 0.8309 -0.1127 0.0537 -0.0230 29 PHE H O 4697 C CB . PHE D 29 ? 0.5393 0.3835 0.7372 -0.1221 0.0718 -0.0460 29 PHE H CB 4698 C CG . PHE D 29 ? 0.4683 0.3369 0.6592 -0.1287 0.0578 -0.0566 29 PHE H CG 4699 C CD1 . PHE D 29 ? 0.4434 0.3235 0.6229 -0.1215 0.0469 -0.0548 29 PHE H CD1 4700 C CD2 . PHE D 29 ? 0.5238 0.4061 0.7209 -0.1420 0.0562 -0.0669 29 PHE H CD2 4701 C CE1 . PHE D 29 ? 0.5428 0.4447 0.7171 -0.1264 0.0358 -0.0625 29 PHE H CE1 4702 C CE2 . PHE D 29 ? 0.5815 0.4899 0.7744 -0.1467 0.0441 -0.0730 29 PHE H CE2 4703 C CZ . PHE D 29 ? 0.5048 0.4216 0.6863 -0.1382 0.0345 -0.0706 29 PHE H CZ 4704 N N . THR D 30 ? 0.7417 0.5877 0.9368 -0.1198 0.0740 -0.0233 30 THR H N 4705 C CA . THR D 30 ? 0.7177 0.5739 0.9115 -0.1236 0.0716 -0.0208 30 THR H CA 4706 C C . THR D 30 ? 0.6558 0.5105 0.8352 -0.1146 0.0704 -0.0052 30 THR H C 4707 O O . THR D 30 ? 0.6780 0.5384 0.8549 -0.1168 0.0706 -0.0024 30 THR H O 4708 C CB . THR D 30 ? 0.7316 0.5795 0.9415 -0.1331 0.0831 -0.0247 30 THR H CB 4709 O OG1 . THR D 30 ? 0.7779 0.6023 0.9922 -0.1277 0.0960 -0.0153 30 THR H OG1 4710 C CG2 . THR D 30 ? 0.6383 0.4929 0.8597 -0.1473 0.0839 -0.0429 30 THR H CG2 4711 N N . GLY D 31 ? 0.5430 0.3920 0.7127 -0.1056 0.0697 0.0054 31 GLY H N 4712 C CA . GLY D 31 ? 0.4758 0.3249 0.6301 -0.1004 0.0697 0.0199 31 GLY H CA 4713 C C . GLY D 31 ? 0.4816 0.3439 0.6156 -0.0995 0.0597 0.0203 31 GLY H C 4714 O O . GLY D 31 ? 0.5807 0.4434 0.6990 -0.0989 0.0609 0.0294 31 GLY H O 4715 N N . TYR D 32 ? 0.4980 0.3704 0.6305 -0.1004 0.0512 0.0103 32 TYR H N 4716 C CA . TYR D 32 ? 0.5314 0.4139 0.6449 -0.0999 0.0436 0.0100 32 TYR H CA 4717 C C . TYR D 32 ? 0.5100 0.4020 0.6279 -0.1031 0.0393 -0.0018 32 TYR H C 4718 O O . TYR D 32 ? 0.5628 0.4590 0.6942 -0.1048 0.0367 -0.0104 32 TYR H O 4719 C CB . TYR D 32 ? 0.5641 0.4523 0.6692 -0.0952 0.0370 0.0145 32 TYR H CB 4720 C CG . TYR D 32 ? 0.6496 0.5352 0.7514 -0.0907 0.0406 0.0305 32 TYR H CG 4721 C CD1 . TYR D 32 ? 0.6134 0.4893 0.7331 -0.0857 0.0477 0.0365 32 TYR H CD1 4722 C CD2 . TYR D 32 ? 0.7454 0.6390 0.8258 -0.0923 0.0381 0.0402 32 TYR H CD2 4723 C CE1 . TYR D 32 ? 0.7535 0.6294 0.8724 -0.0798 0.0521 0.0548 32 TYR H CE1 4724 C CE2 . TYR D 32 ? 0.8343 0.7315 0.9116 -0.0885 0.0404 0.0574 32 TYR H CE2 4725 C CZ . TYR D 32 ? 0.8631 0.7522 0.9610 -0.0809 0.0472 0.0662 32 TYR H CZ 4726 O OH . TYR D 32 ? 1.0289 0.9239 1.1259 -0.0753 0.0506 0.0869 32 TYR H OH 4727 N N . TYR D 33 ? 0.5707 0.4663 0.6773 -0.1044 0.0402 -0.0015 33 TYR H N 4728 C CA . TYR D 33 ? 0.6464 0.5532 0.7578 -0.1053 0.0373 -0.0088 33 TYR H CA 4729 C C . TYR D 33 ? 0.7314 0.6460 0.8395 -0.1035 0.0280 -0.0148 33 TYR H C 4730 O O . TYR D 33 ? 0.7173 0.6294 0.8138 -0.1014 0.0244 -0.0122 33 TYR H O 4731 C CB . TYR D 33 ? 0.5470 0.4519 0.6458 -0.1054 0.0436 -0.0057 33 TYR H CB 4732 C CG . TYR D 33 ? 0.6335 0.5344 0.7406 -0.1066 0.0540 -0.0010 33 TYR H CG 4733 C CD1 . TYR D 33 ? 0.6639 0.5571 0.7780 -0.1083 0.0582 0.0032 33 TYR H CD1 4734 C CD2 . TYR D 33 ? 0.6460 0.5502 0.7550 -0.1054 0.0614 0.0008 33 TYR H CD2 4735 C CE1 . TYR D 33 ? 0.5331 0.4231 0.6555 -0.1095 0.0683 0.0079 33 TYR H CE1 4736 C CE2 . TYR D 33 ? 0.5973 0.4986 0.7158 -0.1056 0.0724 0.0066 33 TYR H CE2 4737 C CZ . TYR D 33 ? 0.4955 0.3904 0.6204 -0.1081 0.0751 0.0097 33 TYR H CZ 4738 O OH . TYR D 33 ? 0.5734 0.4660 0.7086 -0.1084 0.0864 0.0158 33 TYR H OH 4739 N N . MET D 34 ? 0.5568 0.4839 0.6760 -0.1047 0.0242 -0.0218 34 MET H N 4740 C CA . MET D 34 ? 0.3829 0.3185 0.4997 -0.1033 0.0162 -0.0281 34 MET H CA 4741 C C . MET D 34 ? 0.5143 0.4600 0.6263 -0.1017 0.0157 -0.0282 34 MET H C 4742 O O . MET D 34 ? 0.4663 0.4216 0.5889 -0.1023 0.0192 -0.0261 34 MET H O 4743 C CB . MET D 34 ? 0.4260 0.3684 0.5582 -0.1073 0.0131 -0.0366 34 MET H CB 4744 C CG . MET D 34 ? 0.7623 0.7113 0.8914 -0.1061 0.0060 -0.0436 34 MET H CG 4745 S SD . MET D 34 ? 0.9428 0.8782 1.0643 -0.1007 0.0056 -0.0404 34 MET H SD 4746 C CE . MET D 34 ? 0.8306 0.7525 0.9680 -0.1039 0.0139 -0.0427 34 MET H CE 4747 N N . HIS D 35 ? 0.4346 0.3792 0.5322 -0.0994 0.0128 -0.0291 35 HIS H N 4748 C CA . HIS D 35 ? 0.4524 0.4027 0.5448 -0.0973 0.0151 -0.0289 35 HIS H CA 4749 C C . HIS D 35 ? 0.4138 0.3766 0.5087 -0.0958 0.0069 -0.0347 35 HIS H C 4750 O O . HIS D 35 ? 0.4281 0.3912 0.5233 -0.0963 0.0001 -0.0394 35 HIS H O 4751 C CB . HIS D 35 ? 0.3783 0.3158 0.4496 -0.0984 0.0212 -0.0266 35 HIS H CB 4752 C CG . HIS D 35 ? 0.5582 0.4831 0.6234 -0.1010 0.0310 -0.0214 35 HIS H CG 4753 N ND1 . HIS D 35 ? 0.4726 0.3889 0.5304 -0.1016 0.0439 -0.0190 35 HIS H ND1 4754 C CD2 . HIS D 35 ? 0.5095 0.4278 0.5744 -0.1030 0.0317 -0.0178 35 HIS H CD2 4755 C CE1 . HIS D 35 ? 0.5396 0.4447 0.5917 -0.1047 0.0515 -0.0152 35 HIS H CE1 4756 N NE2 . HIS D 35 ? 0.5680 0.4752 0.6242 -0.1054 0.0435 -0.0139 35 HIS H NE2 4757 N N . TRP D 36 ? 0.4195 0.3919 0.5168 -0.0931 0.0092 -0.0331 36 TRP H N 4758 C CA . TRP D 36 ? 0.4066 0.3916 0.5047 -0.0913 0.0026 -0.0373 36 TRP H CA 4759 C C . TRP D 36 ? 0.5076 0.4867 0.5932 -0.0882 0.0085 -0.0352 36 TRP H C 4760 O O . TRP D 36 ? 0.5144 0.4901 0.6009 -0.0857 0.0195 -0.0288 36 TRP H O 4761 C CB . TRP D 36 ? 0.4477 0.4558 0.5631 -0.0915 -0.0006 -0.0361 36 TRP H CB 4762 C CG . TRP D 36 ? 0.5702 0.5844 0.6960 -0.0980 -0.0061 -0.0419 36 TRP H CG 4763 C CD1 . TRP D 36 ? 0.4907 0.5040 0.6263 -0.1019 -0.0026 -0.0397 36 TRP H CD1 4764 C CD2 . TRP D 36 ? 0.5924 0.6124 0.7195 -0.1026 -0.0135 -0.0520 36 TRP H CD2 4765 N NE1 . TRP D 36 ? 0.4877 0.5053 0.6306 -0.1095 -0.0070 -0.0484 36 TRP H NE1 4766 C CE2 . TRP D 36 ? 0.5392 0.5600 0.6766 -0.1102 -0.0130 -0.0564 36 TRP H CE2 4767 C CE3 . TRP D 36 ? 0.5279 0.5513 0.6485 -0.1016 -0.0189 -0.0582 36 TRP H CE3 4768 C CZ2 . TRP D 36 ? 0.5898 0.6122 0.7299 -0.1177 -0.0160 -0.0679 36 TRP H CZ2 4769 C CZ3 . TRP D 36 ? 0.5564 0.5825 0.6801 -0.1079 -0.0226 -0.0687 36 TRP H CZ3 4770 C CH2 . TRP D 36 ? 0.6133 0.6377 0.7462 -0.1163 -0.0204 -0.0740 36 TRP H CH2 4771 N N . VAL D 37 ? 0.4789 0.4560 0.5537 -0.0887 0.0032 -0.0405 37 VAL H N 4772 C CA . VAL D 37 ? 0.4389 0.4103 0.5010 -0.0879 0.0088 -0.0408 37 VAL H CA 4773 C C . VAL D 37 ? 0.4921 0.4768 0.5579 -0.0850 0.0017 -0.0443 37 VAL H C 4774 O O . VAL D 37 ? 0.5603 0.5522 0.6302 -0.0858 -0.0084 -0.0492 37 VAL H O 4775 C CB . VAL D 37 ? 0.4533 0.4113 0.4964 -0.0938 0.0095 -0.0436 37 VAL H CB 4776 C CG1 . VAL D 37 ? 0.5023 0.4536 0.5306 -0.0963 0.0168 -0.0462 37 VAL H CG1 4777 C CG2 . VAL D 37 ? 0.4169 0.3634 0.4551 -0.0975 0.0160 -0.0400 37 VAL H CG2 4778 N N . ARG D 38 ? 0.4374 0.4244 0.5025 -0.0813 0.0086 -0.0412 38 ARG H N 4779 C CA . ARG D 38 ? 0.5157 0.5154 0.5828 -0.0785 0.0027 -0.0437 38 ARG H CA 4780 C C . ARG D 38 ? 0.5083 0.4967 0.5609 -0.0795 0.0089 -0.0462 38 ARG H C 4781 O O . ARG D 38 ? 0.4920 0.4639 0.5340 -0.0825 0.0210 -0.0452 38 ARG H O 4782 C CB . ARG D 38 ? 0.4333 0.4531 0.5158 -0.0728 0.0040 -0.0359 38 ARG H CB 4783 C CG . ARG D 38 ? 0.4354 0.4510 0.5197 -0.0667 0.0195 -0.0258 38 ARG H CG 4784 C CD . ARG D 38 ? 0.3959 0.4391 0.4978 -0.0600 0.0187 -0.0149 38 ARG H CD 4785 N NE . ARG D 38 ? 0.4068 0.4469 0.5140 -0.0514 0.0358 -0.0020 38 ARG H NE 4786 C CZ . ARG D 38 ? 0.4774 0.5433 0.6020 -0.0431 0.0387 0.0131 38 ARG H CZ 4787 N NH1 . ARG D 38 ? 0.4441 0.5432 0.5797 -0.0451 0.0238 0.0151 38 ARG H NH1 4788 N NH2 . ARG D 38 ? 0.4387 0.4983 0.5696 -0.0337 0.0577 0.0266 38 ARG H NH2 4789 N N . GLN D 39 ? 0.4776 0.4742 0.5287 -0.0786 0.0018 -0.0505 39 GLN H N 4790 C CA . GLN D 39 ? 0.4628 0.4509 0.5007 -0.0811 0.0063 -0.0542 39 GLN H CA 4791 C C . GLN D 39 ? 0.3522 0.3527 0.3958 -0.0754 0.0052 -0.0529 39 GLN H C 4792 O O . GLN D 39 ? 0.4579 0.4713 0.5060 -0.0743 -0.0061 -0.0567 39 GLN H O 4793 C CB . GLN D 39 ? 0.4929 0.4790 0.5212 -0.0874 -0.0026 -0.0605 39 GLN H CB 4794 C CG . GLN D 39 ? 0.5891 0.5692 0.6028 -0.0933 0.0018 -0.0646 39 GLN H CG 4795 C CD . GLN D 39 ? 0.5486 0.5303 0.5526 -0.1011 -0.0054 -0.0670 39 GLN H CD 4796 O OE1 . GLN D 39 ? 0.5673 0.5425 0.5557 -0.1109 0.0005 -0.0695 39 GLN H OE1 4797 N NE2 . GLN D 39 ? 0.3746 0.3662 0.3881 -0.0975 -0.0168 -0.0657 39 GLN H NE2 4798 N N . ALA D 40 ? 0.4588 0.4546 0.5025 -0.0715 0.0185 -0.0472 40 ALA H N 4799 C CA . ALA D 40 ? 0.5864 0.5935 0.6342 -0.0658 0.0190 -0.0444 40 ALA H CA 4800 C C . ALA D 40 ? 0.6280 0.6293 0.6636 -0.0710 0.0155 -0.0536 40 ALA H C 4801 O O . ALA D 40 ? 0.7080 0.6941 0.7306 -0.0790 0.0200 -0.0592 40 ALA H O 4802 C CB . ALA D 40 ? 0.3765 0.3780 0.4293 -0.0589 0.0374 -0.0334 40 ALA H CB 4803 N N . PRO D 41 ? 0.7884 0.8039 0.8275 -0.0676 0.0077 -0.0551 41 PRO H N 4804 C CA . PRO D 41 ? 0.7881 0.8013 0.8182 -0.0722 0.0031 -0.0632 41 PRO H CA 4805 C C . PRO D 41 ? 0.6679 0.6648 0.6865 -0.0772 0.0168 -0.0648 41 PRO H C 4806 O O . PRO D 41 ? 0.7313 0.7232 0.7515 -0.0726 0.0301 -0.0594 41 PRO H O 4807 C CB . PRO D 41 ? 0.7567 0.7873 0.7937 -0.0663 -0.0033 -0.0625 41 PRO H CB 4808 C CG . PRO D 41 ? 0.8284 0.8693 0.8750 -0.0590 0.0025 -0.0517 41 PRO H CG 4809 C CD . PRO D 41 ? 0.8154 0.8519 0.8663 -0.0602 0.0042 -0.0484 41 PRO H CD 4810 N N . GLY D 42 ? 0.6011 0.5904 0.6080 -0.0874 0.0149 -0.0717 42 GLY H N 4811 C CA . GLY D 42 ? 0.5687 0.5431 0.5615 -0.0971 0.0280 -0.0763 42 GLY H CA 4812 C C . GLY D 42 ? 0.7179 0.6731 0.7016 -0.1034 0.0428 -0.0763 42 GLY H C 4813 O O . GLY D 42 ? 0.6740 0.6147 0.6426 -0.1153 0.0554 -0.0827 42 GLY H O 4814 N N . GLN D 43 ? 0.6855 0.6398 0.6772 -0.0975 0.0429 -0.0703 43 GLN H N 4815 C CA . GLN D 43 ? 0.7208 0.6555 0.7053 -0.1023 0.0592 -0.0696 43 GLN H CA 4816 C C . GLN D 43 ? 0.5258 0.4618 0.5039 -0.1094 0.0499 -0.0720 43 GLN H C 4817 O O . GLN D 43 ? 0.5833 0.5346 0.5632 -0.1105 0.0322 -0.0735 43 GLN H O 4818 C CB . GLN D 43 ? 0.8661 0.7985 0.8664 -0.0891 0.0708 -0.0578 43 GLN H CB 4819 C CG . GLN D 43 ? 0.9721 0.9045 0.9801 -0.0803 0.0824 -0.0515 43 GLN H CG 4820 C CD . GLN D 43 ? 1.2632 1.2002 1.2900 -0.0661 0.0932 -0.0356 43 GLN H CD 4821 O OE1 . GLN D 43 ? 1.3478 1.2808 1.3794 -0.0647 0.0977 -0.0308 43 GLN H OE1 4822 N NE2 . GLN D 43 ? 1.3802 1.3285 1.4187 -0.0553 0.0974 -0.0257 43 GLN H NE2 4823 N N . GLY D 44 ? 0.5528 0.4718 0.5242 -0.1137 0.0640 -0.0714 44 GLY H N 4824 C CA . GLY D 44 ? 0.4263 0.3445 0.3898 -0.1211 0.0584 -0.0729 44 GLY H CA 4825 C C . GLY D 44 ? 0.5777 0.5058 0.5590 -0.1102 0.0488 -0.0648 44 GLY H C 4826 O O . GLY D 44 ? 0.6232 0.5655 0.6218 -0.0992 0.0402 -0.0600 44 GLY H O 4827 N N . LEU D 45 ? 0.7226 0.6436 0.6981 -0.1151 0.0510 -0.0641 45 LEU H N 4828 C CA . LEU D 45 ? 0.6421 0.5717 0.6323 -0.1080 0.0418 -0.0580 45 LEU H CA 4829 C C . LEU D 45 ? 0.6392 0.5574 0.6371 -0.1029 0.0575 -0.0515 45 LEU H C 4830 O O . LEU D 45 ? 0.6313 0.5300 0.6158 -0.1098 0.0744 -0.0536 45 LEU H O 4831 C CB . LEU D 45 ? 0.5322 0.4646 0.5125 -0.1161 0.0323 -0.0595 45 LEU H CB 4832 C CG . LEU D 45 ? 0.6038 0.5510 0.5795 -0.1201 0.0174 -0.0622 45 LEU H CG 4833 C CD1 . LEU D 45 ? 0.5563 0.5061 0.5169 -0.1308 0.0137 -0.0614 45 LEU H CD1 4834 C CD2 . LEU D 45 ? 0.4670 0.4286 0.4624 -0.1095 0.0034 -0.0591 45 LEU H CD2 4835 N N . GLU D 46 ? 0.5208 0.4523 0.5403 -0.0919 0.0528 -0.0437 46 GLU H N 4836 C CA . GLU D 46 ? 0.5265 0.4539 0.5586 -0.0853 0.0669 -0.0343 46 GLU H CA 4837 C C . GLU D 46 ? 0.5638 0.5018 0.6086 -0.0834 0.0572 -0.0304 46 GLU H C 4838 O O . GLU D 46 ? 0.5601 0.5180 0.6179 -0.0802 0.0420 -0.0298 46 GLU H O 4839 C CB . GLU D 46 ? 0.4746 0.4138 0.5234 -0.0741 0.0725 -0.0252 46 GLU H CB 4840 C CG . GLU D 46 ? 0.6667 0.6061 0.7325 -0.0653 0.0884 -0.0114 46 GLU H CG 4841 C CD . GLU D 46 ? 0.9479 0.9008 1.0298 -0.0536 0.0962 0.0009 46 GLU H CD 4842 O OE1 . GLU D 46 ? 0.9853 0.9257 1.0737 -0.0469 0.1193 0.0113 46 GLU H OE1 4843 O OE2 . GLU D 46 ? 1.0960 1.0716 1.1840 -0.0508 0.0809 0.0011 46 GLU H OE2 4844 N N . TRP D 47 ? 0.5701 0.4936 0.6101 -0.0868 0.0677 -0.0286 47 TRP H N 4845 C CA . TRP D 47 ? 0.4614 0.3917 0.5126 -0.0861 0.0615 -0.0249 47 TRP H CA 4846 C C . TRP D 47 ? 0.4824 0.4301 0.5590 -0.0766 0.0640 -0.0136 47 TRP H C 4847 O O . TRP D 47 ? 0.5291 0.4743 0.6132 -0.0701 0.0797 -0.0050 47 TRP H O 4848 C CB . TRP D 47 ? 0.5138 0.4229 0.5504 -0.0930 0.0737 -0.0260 47 TRP H CB 4849 C CG . TRP D 47 ? 0.6272 0.5400 0.6737 -0.0928 0.0695 -0.0220 47 TRP H CG 4850 C CD1 . TRP D 47 ? 0.6635 0.5808 0.7077 -0.0968 0.0556 -0.0251 47 TRP H CD1 4851 C CD2 . TRP D 47 ? 0.5295 0.4413 0.5909 -0.0880 0.0811 -0.0130 47 TRP H CD2 4852 N NE1 . TRP D 47 ? 0.6299 0.5476 0.6858 -0.0957 0.0580 -0.0198 47 TRP H NE1 4853 C CE2 . TRP D 47 ? 0.6098 0.5253 0.6763 -0.0907 0.0727 -0.0126 47 TRP H CE2 4854 C CE3 . TRP D 47 ? 0.4731 0.3818 0.5462 -0.0809 0.0993 -0.0037 47 TRP H CE3 4855 C CZ2 . TRP D 47 ? 0.6384 0.5553 0.7200 -0.0878 0.0807 -0.0047 47 TRP H CZ2 4856 C CZ3 . TRP D 47 ? 0.5379 0.4499 0.6277 -0.0769 0.1071 0.0058 47 TRP H CZ3 4857 C CH2 . TRP D 47 ? 0.6043 0.5207 0.6977 -0.0810 0.0971 0.0045 47 TRP H CH2 4858 N N . MET D 48 ? 0.4587 0.4255 0.5496 -0.0765 0.0498 -0.0130 48 MET H N 4859 C CA . MET D 48 ? 0.5097 0.5017 0.6247 -0.0705 0.0484 -0.0029 48 MET H CA 4860 C C . MET D 48 ? 0.4937 0.4890 0.6216 -0.0715 0.0515 0.0029 48 MET H C 4861 O O . MET D 48 ? 0.4876 0.5020 0.6357 -0.0661 0.0567 0.0152 48 MET H O 4862 C CB . MET D 48 ? 0.4280 0.4442 0.5501 -0.0724 0.0304 -0.0078 48 MET H CB 4863 C CG . MET D 48 ? 0.5199 0.5396 0.6347 -0.0696 0.0275 -0.0107 48 MET H CG 4864 S SD . MET D 48 ? 0.5566 0.6046 0.6789 -0.0731 0.0088 -0.0170 48 MET H SD 4865 C CE . MET D 48 ? 0.4930 0.5776 0.6390 -0.0686 0.0102 -0.0013 48 MET H CE 4866 N N . GLY D 49 ? 0.4985 0.4783 0.6167 -0.0780 0.0489 -0.0038 49 GLY H N 4867 C CA . GLY D 49 ? 0.5673 0.5484 0.6970 -0.0795 0.0525 0.0012 49 GLY H CA 4868 C C . GLY D 49 ? 0.5525 0.5258 0.6757 -0.0867 0.0427 -0.0074 49 GLY H C 4869 O O . GLY D 49 ? 0.5396 0.5112 0.6535 -0.0896 0.0321 -0.0158 49 GLY H O 4870 N N . TRP D 50 ? 0.3724 0.3406 0.5019 -0.0888 0.0480 -0.0038 50 TRP H N 4871 C CA . TRP D 50 ? 0.3740 0.3359 0.5017 -0.0946 0.0407 -0.0094 50 TRP H CA 4872 C C . TRP D 50 ? 0.4498 0.4290 0.5999 -0.0979 0.0377 -0.0076 50 TRP H C 4873 O O . TRP D 50 ? 0.4443 0.4420 0.6112 -0.0958 0.0415 0.0001 50 TRP H O 4874 C CB . TRP D 50 ? 0.3888 0.3266 0.4996 -0.0967 0.0490 -0.0082 50 TRP H CB 4875 C CG . TRP D 50 ? 0.4866 0.4147 0.5985 -0.0954 0.0647 -0.0006 50 TRP H CG 4876 C CD1 . TRP D 50 ? 0.5193 0.4302 0.6143 -0.0951 0.0784 0.0009 50 TRP H CD1 4877 C CD2 . TRP D 50 ? 0.5179 0.4508 0.6476 -0.0955 0.0703 0.0057 50 TRP H CD2 4878 N NE1 . TRP D 50 ? 0.4479 0.3512 0.5492 -0.0940 0.0931 0.0080 50 TRP H NE1 4879 C CE2 . TRP D 50 ? 0.4929 0.4108 0.6164 -0.0936 0.0876 0.0119 50 TRP H CE2 4880 C CE3 . TRP D 50 ? 0.5180 0.4662 0.6682 -0.0984 0.0636 0.0060 50 TRP H CE3 4881 C CZ2 . TRP D 50 ? 0.4600 0.3790 0.5987 -0.0926 0.0977 0.0198 50 TRP H CZ2 4882 C CZ3 . TRP D 50 ? 0.5219 0.4727 0.6868 -0.0987 0.0726 0.0133 50 TRP H CZ3 4883 C CH2 . TRP D 50 ? 0.4116 0.3485 0.5716 -0.0949 0.0891 0.0210 50 TRP H CH2 4884 N N . ILE D 51 ? 0.4597 0.4342 0.6109 -0.1035 0.0316 -0.0142 51 ILE H N 4885 C CA . ILE D 51 ? 0.4270 0.4131 0.5968 -0.1099 0.0306 -0.0152 51 ILE H CA 4886 C C . ILE D 51 ? 0.4989 0.4633 0.6646 -0.1126 0.0350 -0.0162 51 ILE H C 4887 O O . ILE D 51 ? 0.4703 0.4184 0.6225 -0.1112 0.0329 -0.0192 51 ILE H O 4888 C CB . ILE D 51 ? 0.4463 0.4518 0.6248 -0.1167 0.0202 -0.0246 51 ILE H CB 4889 C CG1 . ILE D 51 ? 0.4348 0.4519 0.6309 -0.1269 0.0210 -0.0274 51 ILE H CG1 4890 C CG2 . ILE D 51 ? 0.3676 0.3571 0.5331 -0.1169 0.0152 -0.0340 51 ILE H CG2 4891 C CD1 . ILE D 51 ? 0.4572 0.4974 0.6613 -0.1376 0.0127 -0.0376 51 ILE H CD1 4892 N N . ASN D 52 ? 0.5883 0.5544 0.7668 -0.1158 0.0415 -0.0117 52 ASN H N 4893 C CA . ASN D 52 ? 0.4222 0.3693 0.6000 -0.1186 0.0468 -0.0115 52 ASN H CA 4894 C C . ASN D 52 ? 0.4772 0.4292 0.6678 -0.1274 0.0431 -0.0210 52 ASN H C 4895 O O . ASN D 52 ? 0.5232 0.4945 0.7310 -0.1352 0.0427 -0.0233 52 ASN H O 4896 C CB . ASN D 52 ? 0.4138 0.3590 0.5996 -0.1185 0.0573 -0.0027 52 ASN H CB 4897 C CG . ASN D 52 ? 0.4900 0.4155 0.6748 -0.1209 0.0639 -0.0010 52 ASN H CG 4898 O OD1 . ASN D 52 ? 0.5774 0.4973 0.7673 -0.1254 0.0620 -0.0068 52 ASN H OD1 4899 N ND2 . ASN D 52 ? 0.5568 0.4706 0.7355 -0.1179 0.0739 0.0075 52 ASN H ND2 4900 N N . PRO D 53 A 0.5560 0.4922 0.7397 -0.1272 0.0419 -0.0263 52 PRO H N 4901 C CA . PRO D 53 A 0.4158 0.3516 0.6108 -0.1366 0.0424 -0.0371 52 PRO H CA 4902 C C . PRO D 53 A 0.5175 0.4485 0.7271 -0.1448 0.0513 -0.0374 52 PRO H C 4903 O O . PRO D 53 A 0.5357 0.4731 0.7570 -0.1571 0.0528 -0.0483 52 PRO H O 4904 C CB . PRO D 53 A 0.4232 0.3380 0.6083 -0.1308 0.0435 -0.0378 52 PRO H CB 4905 C CG . PRO D 53 A 0.4747 0.3884 0.6431 -0.1208 0.0388 -0.0298 52 PRO H CG 4906 C CD . PRO D 53 A 0.5880 0.5072 0.7538 -0.1192 0.0413 -0.0219 52 PRO H CD 4907 N N . ASN D 54 ? 0.5123 0.4314 0.7203 -0.1398 0.0585 -0.0266 53 ASN H N 4908 C CA . ASN D 54 ? 0.5247 0.4369 0.7466 -0.1471 0.0683 -0.0261 53 ASN H CA 4909 C C . ASN D 54 ? 0.5153 0.4546 0.7538 -0.1564 0.0669 -0.0276 53 ASN H C 4910 O O . ASN D 54 ? 0.5822 0.5273 0.8354 -0.1695 0.0707 -0.0353 53 ASN H O 4911 C CB . ASN D 54 ? 0.5741 0.4664 0.7878 -0.1387 0.0766 -0.0131 53 ASN H CB 4912 C CG . ASN D 54 ? 0.6120 0.4889 0.8377 -0.1441 0.0884 -0.0121 53 ASN H CG 4913 O OD1 . ASN D 54 ? 0.6867 0.5581 0.9229 -0.1525 0.0924 -0.0218 53 ASN H OD1 4914 N ND2 . ASN D 54 ? 0.6232 0.4913 0.8467 -0.1402 0.0961 -0.0010 53 ASN H ND2 4915 N N . SER D 55 ? 0.4624 0.4197 0.6995 -0.1504 0.0627 -0.0197 54 SER H N 4916 C CA . SER D 55 ? 0.5442 0.5319 0.7996 -0.1560 0.0620 -0.0156 54 SER H CA 4917 C C . SER D 55 ? 0.5781 0.5988 0.8384 -0.1594 0.0509 -0.0190 54 SER H C 4918 O O . SER D 55 ? 0.6248 0.6785 0.9035 -0.1676 0.0486 -0.0165 54 SER H O 4919 C CB . SER D 55 ? 0.5858 0.5708 0.8401 -0.1453 0.0694 -0.0007 54 SER H CB 4920 O OG . SER D 55 ? 0.4530 0.4348 0.6915 -0.1344 0.0665 0.0031 54 SER H OG 4921 N N . GLY D 56 ? 0.5325 0.5485 0.7778 -0.1535 0.0440 -0.0231 55 GLY H N 4922 C CA . GLY D 56 ? 0.3884 0.4352 0.6367 -0.1541 0.0344 -0.0233 55 GLY H CA 4923 C C . GLY D 56 ? 0.4976 0.5579 0.7487 -0.1420 0.0365 -0.0079 55 GLY H C 4924 O O . GLY D 56 ? 0.4107 0.4998 0.6672 -0.1409 0.0299 -0.0043 55 GLY H O 4925 N N . GLY D 57 ? 0.3830 0.4229 0.6304 -0.1332 0.0472 0.0016 56 GLY H N 4926 C CA . GLY D 57 ? 0.3845 0.4291 0.6323 -0.1213 0.0537 0.0152 56 GLY H CA 4927 C C . GLY D 57 ? 0.4007 0.4351 0.6296 -0.1135 0.0503 0.0127 56 GLY H C 4928 O O . GLY D 57 ? 0.4036 0.4161 0.6140 -0.1141 0.0462 0.0030 56 GLY H O 4929 N N . THR D 58 ? 0.4162 0.4685 0.6518 -0.1058 0.0529 0.0228 57 THR H N 4930 C CA . THR D 58 ? 0.4880 0.5335 0.7083 -0.0988 0.0511 0.0213 57 THR H CA 4931 C C . THR D 58 ? 0.5620 0.5958 0.7800 -0.0878 0.0672 0.0334 57 THR H C 4932 O O . THR D 58 ? 0.5949 0.6367 0.8295 -0.0839 0.0785 0.0460 57 THR H O 4933 C CB . THR D 58 ? 0.4291 0.5089 0.6591 -0.1008 0.0392 0.0208 57 THR H CB 4934 O OG1 . THR D 58 ? 0.3951 0.5108 0.6503 -0.0987 0.0420 0.0361 57 THR H OG1 4935 C CG2 . THR D 58 ? 0.3511 0.4374 0.5797 -0.1137 0.0261 0.0057 57 THR H CG2 4936 N N . ASN D 59 ? 0.5336 0.5472 0.7310 -0.0834 0.0699 0.0292 58 ASN H N 4937 C CA . ASN D 59 ? 0.4597 0.4601 0.6527 -0.0743 0.0873 0.0382 58 ASN H CA 4938 C C . ASN D 59 ? 0.5032 0.5041 0.6847 -0.0714 0.0824 0.0338 58 ASN H C 4939 O O . ASN D 59 ? 0.4817 0.4643 0.6408 -0.0759 0.0760 0.0215 58 ASN H O 4940 C CB . ASN D 59 ? 0.4005 0.3644 0.5730 -0.0761 0.1012 0.0348 58 ASN H CB 4941 C CG . ASN D 59 ? 0.5261 0.4718 0.6928 -0.0690 0.1236 0.0419 58 ASN H CG 4942 O OD1 . ASN D 59 ? 0.6099 0.5705 0.7930 -0.0602 0.1310 0.0531 58 ASN H OD1 4943 N ND2 . ASN D 59 ? 0.6337 0.5469 0.7767 -0.0736 0.1360 0.0360 58 ASN H ND2 4944 N N . TYR D 60 ? 0.4314 0.4564 0.6300 -0.0636 0.0851 0.0456 59 TYR H N 4945 C CA . TYR D 60 ? 0.4180 0.4487 0.6100 -0.0599 0.0806 0.0437 59 TYR H CA 4946 C C . TYR D 60 ? 0.5643 0.5702 0.7471 -0.0520 0.1020 0.0493 59 TYR H C 4947 O O . TYR D 60 ? 0.4820 0.4785 0.6737 -0.0461 0.1216 0.0605 59 TYR H O 4948 C CB . TYR D 60 ? 0.3644 0.4394 0.5805 -0.0563 0.0716 0.0551 59 TYR H CB 4949 C CG . TYR D 60 ? 0.3711 0.4742 0.5980 -0.0668 0.0535 0.0497 59 TYR H CG 4950 C CD1 . TYR D 60 ? 0.4592 0.5501 0.6701 -0.0773 0.0400 0.0310 59 TYR H CD1 4951 C CD2 . TYR D 60 ? 0.3840 0.5266 0.6378 -0.0669 0.0516 0.0637 59 TYR H CD2 4952 C CE1 . TYR D 60 ? 0.4261 0.5383 0.6461 -0.0884 0.0271 0.0243 59 TYR H CE1 4953 C CE2 . TYR D 60 ? 0.3806 0.5490 0.6427 -0.0800 0.0364 0.0564 59 TYR H CE2 4954 C CZ . TYR D 60 ? 0.3891 0.5394 0.6334 -0.0910 0.0253 0.0356 59 TYR H CZ 4955 O OH . TYR D 60 ? 0.3652 0.5364 0.6166 -0.1054 0.0139 0.0266 59 TYR H OH 4956 N N . ALA D 61 ? 0.4807 0.4751 0.6461 -0.0524 0.1000 0.0411 60 ALA H N 4957 C CA . ALA D 61 ? 0.5975 0.5713 0.7565 -0.0456 0.1217 0.0463 60 ALA H CA 4958 C C . ALA D 61 ? 0.6054 0.6057 0.7934 -0.0321 0.1316 0.0680 60 ALA H C 4959 O O . ALA D 61 ? 0.4961 0.5342 0.7009 -0.0297 0.1157 0.0747 60 ALA H O 4960 C CB . ALA D 61 ? 0.3980 0.3587 0.5346 -0.0499 0.1161 0.0334 60 ALA H CB 4961 N N . GLN D 62 ? 0.6081 0.5895 0.8021 -0.0235 0.1595 0.0798 61 GLN H N 4962 C CA . GLN D 62 ? 0.5603 0.5676 0.7860 -0.0080 0.1727 0.1052 61 GLN H CA 4963 C C . GLN D 62 ? 0.6416 0.6744 0.8743 -0.0017 0.1638 0.1119 61 GLN H C 4964 O O . GLN D 62 ? 0.6614 0.7349 0.9226 0.0085 0.1620 0.1334 61 GLN H O 4965 C CB . GLN D 62 ? 0.5278 0.5013 0.7555 0.0007 0.2091 0.1151 61 GLN H CB 4966 C CG . GLN D 62 ? 0.8220 0.7818 1.0545 -0.0009 0.2218 0.1178 61 GLN H CG 4967 C CD . GLN D 62 ? 0.9995 0.9212 1.2316 0.0067 0.2612 0.1255 61 GLN H CD 4968 O OE1 . GLN D 62 ? 1.0483 0.9743 1.3003 0.0214 0.2817 0.1447 61 GLN H OE1 4969 N NE2 . GLN D 62 ? 0.9984 0.8816 1.2070 -0.0038 0.2737 0.1109 61 GLN H NE2 4970 N N . LYS D 63 ? 0.7180 0.7305 0.9251 -0.0082 0.1579 0.0947 62 LYS H N 4971 C CA . LYS D 63 ? 0.6870 0.7210 0.8980 -0.0031 0.1496 0.0992 62 LYS H CA 4972 C C . LYS D 63 ? 0.6712 0.7554 0.8974 -0.0054 0.1220 0.1035 62 LYS H C 4973 O O . LYS D 63 ? 0.6503 0.7668 0.8910 0.0023 0.1181 0.1176 62 LYS H O 4974 C CB . LYS D 63 ? 0.6140 0.6177 0.7934 -0.0127 0.1453 0.0771 62 LYS H CB 4975 C CG . LYS D 63 ? 0.6612 0.6754 0.8409 -0.0069 0.1440 0.0808 62 LYS H CG 4976 C CD . LYS D 63 ? 0.8665 0.8556 1.0161 -0.0187 0.1357 0.0575 62 LYS H CD 4977 C CE . LYS D 63 ? 0.9368 0.9297 1.0848 -0.0132 0.1386 0.0604 62 LYS H CE 4978 N NZ . LYS D 63 ? 1.0072 0.9711 1.1560 -0.0055 0.1715 0.0692 62 LYS H NZ 4979 N N . PHE D 64 ? 0.5706 0.6624 0.7936 -0.0167 0.1043 0.0919 63 PHE H N 4980 C CA . PHE D 64 ? 0.4087 0.5417 0.6400 -0.0239 0.0791 0.0896 63 PHE H CA 4981 C C . PHE D 64 ? 0.5319 0.6987 0.7882 -0.0250 0.0753 0.1024 63 PHE H C 4982 O O . PHE D 64 ? 0.5271 0.7275 0.7890 -0.0348 0.0554 0.0980 63 PHE H O 4983 C CB . PHE D 64 ? 0.4862 0.6012 0.6932 -0.0380 0.0614 0.0636 63 PHE H CB 4984 C CG . PHE D 64 ? 0.6294 0.7182 0.8136 -0.0383 0.0622 0.0514 63 PHE H CG 4985 C CD1 . PHE D 64 ? 0.6181 0.7267 0.8015 -0.0367 0.0528 0.0515 63 PHE H CD1 4986 C CD2 . PHE D 64 ? 0.7234 0.7703 0.8863 -0.0416 0.0724 0.0399 63 PHE H CD2 4987 C CE1 . PHE D 64 ? 0.5692 0.6549 0.7330 -0.0373 0.0540 0.0406 63 PHE H CE1 4988 C CE2 . PHE D 64 ? 0.5534 0.5804 0.6961 -0.0437 0.0727 0.0289 63 PHE H CE2 4989 C CZ . PHE D 64 ? 0.4265 0.4721 0.5706 -0.0411 0.0638 0.0294 63 PHE H CZ 4990 N N . GLN D 65 ? 0.5729 0.7317 0.8441 -0.0164 0.0951 0.1177 64 GLN H N 4991 C CA . GLN D 65 ? 0.5280 0.7226 0.8264 -0.0164 0.0931 0.1329 64 GLN H CA 4992 C C . GLN D 65 ? 0.4693 0.7250 0.7914 -0.0139 0.0810 0.1513 64 GLN H C 4993 O O . GLN D 65 ? 0.5673 0.8379 0.9014 -0.0002 0.0914 0.1708 64 GLN H O 4994 C CB . GLN D 65 ? 0.6271 0.8042 0.9407 -0.0039 0.1208 0.1506 64 GLN H CB 4995 C CG . GLN D 65 ? 0.7026 0.8485 1.0068 -0.0115 0.1259 0.1386 64 GLN H CG 4996 C CD . GLN D 65 ? 0.5636 0.7408 0.8791 -0.0236 0.1065 0.1349 64 GLN H CD 4997 O OE1 . GLN D 65 ? 0.5510 0.7043 0.8499 -0.0350 0.0997 0.1162 64 GLN H OE1 4998 N NE2 . GLN D 65 ? 0.3882 0.6205 0.7325 -0.0218 0.0985 0.1535 64 GLN H NE2 4999 N N . GLY D 66 ? 0.5079 0.7998 0.8364 -0.0280 0.0603 0.1456 65 GLY H N 5000 C CA . GLY D 66 ? 0.5402 0.8957 0.8883 -0.0305 0.0464 0.1608 65 GLY H CA 5001 C C . GLY D 66 ? 0.5391 0.9072 0.8685 -0.0411 0.0270 0.1447 65 GLY H C 5002 O O . GLY D 66 ? 0.5925 1.0141 0.9320 -0.0507 0.0112 0.1500 65 GLY H O 5003 N N . ARG D 67 ? 0.4398 0.7624 0.7421 -0.0409 0.0281 0.1253 66 ARG H N 5004 C CA . ARG D 67 ? 0.5307 0.8617 0.8150 -0.0509 0.0111 0.1089 66 ARG H CA 5005 C C . ARG D 67 ? 0.5607 0.8635 0.8233 -0.0675 -0.0005 0.0790 66 ARG H C 5006 O O . ARG D 67 ? 0.7137 1.0351 0.9677 -0.0809 -0.0160 0.0654 66 ARG H O 5007 C CB . ARG D 67 ? 0.5779 0.8841 0.8489 -0.0388 0.0197 0.1099 66 ARG H CB 5008 C CG . ARG D 67 ? 0.5696 0.9079 0.8615 -0.0227 0.0301 0.1397 66 ARG H CG 5009 C CD . ARG D 67 ? 0.5524 0.8863 0.8309 -0.0176 0.0291 0.1375 66 ARG H CD 5010 N NE . ARG D 67 ? 0.5437 0.8188 0.8013 -0.0128 0.0422 0.1236 66 ARG H NE 5011 C CZ . ARG D 67 ? 0.5498 0.8013 0.7828 -0.0203 0.0333 0.1013 66 ARG H CZ 5012 N NH1 . ARG D 67 ? 0.5089 0.7860 0.7345 -0.0320 0.0130 0.0898 66 ARG H NH1 5013 N NH2 . ARG D 67 ? 0.4924 0.6958 0.7081 -0.0170 0.0456 0.0907 66 ARG H NH2 5014 N N . VAL D 68 ? 0.5043 0.7637 0.7584 -0.0670 0.0080 0.0694 67 VAL H N 5015 C CA . VAL D 68 ? 0.4882 0.7173 0.7229 -0.0795 0.0001 0.0444 67 VAL H CA 5016 C C . VAL D 68 ? 0.4479 0.6876 0.6937 -0.0908 -0.0034 0.0412 67 VAL H C 5017 O O . VAL D 68 ? 0.5541 0.8063 0.8185 -0.0862 0.0049 0.0568 67 VAL H O 5018 C CB . VAL D 68 ? 0.4752 0.6513 0.6907 -0.0728 0.0108 0.0360 67 VAL H CB 5019 C CG1 . VAL D 68 ? 0.4277 0.5851 0.6505 -0.0675 0.0258 0.0450 67 VAL H CG1 5020 C CG2 . VAL D 68 ? 0.4793 0.6305 0.6755 -0.0833 0.0014 0.0135 67 VAL H CG2 5021 N N . THR D 69 ? 0.4554 0.6895 0.6909 -0.1059 -0.0140 0.0210 68 THR H N 5022 C CA . THR D 69 ? 0.5118 0.7477 0.7547 -0.1186 -0.0156 0.0140 68 THR H CA 5023 C C . THR D 69 ? 0.5571 0.7524 0.7813 -0.1257 -0.0169 -0.0076 68 THR H C 5024 O O . THR D 69 ? 0.5559 0.7493 0.7681 -0.1327 -0.0243 -0.0217 68 THR H O 5025 C CB . THR D 69 ? 0.4702 0.7574 0.7267 -0.1342 -0.0265 0.0143 68 THR H CB 5026 O OG1 . THR D 69 ? 0.5938 0.9247 0.8700 -0.1259 -0.0257 0.0387 68 THR H OG1 5027 C CG2 . THR D 69 ? 0.3270 0.6145 0.5923 -0.1482 -0.0259 0.0071 68 THR H CG2 5028 N N . MET D 70 ? 0.4917 0.6557 0.7141 -0.1233 -0.0086 -0.0088 69 MET H N 5029 C CA . MET D 70 ? 0.4143 0.5421 0.6224 -0.1283 -0.0082 -0.0247 69 MET H CA 5030 C C . MET D 70 ? 0.5029 0.6334 0.7210 -0.1418 -0.0075 -0.0316 69 MET H C 5031 O O . MET D 70 ? 0.6993 0.8370 0.9309 -0.1415 -0.0019 -0.0218 69 MET H O 5032 C CB . MET D 70 ? 0.3723 0.4626 0.5681 -0.1167 0.0008 -0.0209 69 MET H CB 5033 C CG . MET D 70 ? 0.4284 0.5106 0.6114 -0.1064 0.0015 -0.0180 69 MET H CG 5034 S SD . MET D 70 ? 0.5467 0.5902 0.7134 -0.0975 0.0131 -0.0143 69 MET H SD 5035 C CE . MET D 70 ? 0.4897 0.5342 0.6469 -0.0883 0.0156 -0.0098 69 MET H CE 5036 N N . THR D 71 ? 0.4924 0.6158 0.7045 -0.1539 -0.0111 -0.0484 70 THR H N 5037 C CA . THR D 71 ? 0.4944 0.6133 0.7137 -0.1684 -0.0078 -0.0583 70 THR H CA 5038 C C . THR D 71 ? 0.5173 0.5959 0.7243 -0.1686 -0.0027 -0.0709 70 THR H C 5039 O O . THR D 71 ? 0.5219 0.5814 0.7158 -0.1580 -0.0035 -0.0711 70 THR H O 5040 C CB . THR D 71 ? 0.3712 0.5289 0.5988 -0.1877 -0.0145 -0.0667 70 THR H CB 5041 O OG1 . THR D 71 ? 0.6432 0.8070 0.8585 -0.1911 -0.0210 -0.0769 70 THR H OG1 5042 C CG2 . THR D 71 ? 0.3618 0.5648 0.6065 -0.1871 -0.0189 -0.0497 70 THR H CG2 5043 N N . ARG D 72 ? 0.3914 0.4580 0.6042 -0.1806 0.0039 -0.0803 71 ARG H N 5044 C CA . ARG D 72 ? 0.5683 0.5981 0.7735 -0.1806 0.0116 -0.0903 71 ARG H CA 5045 C C . ARG D 72 ? 0.6056 0.6317 0.8195 -0.1995 0.0195 -0.1040 71 ARG H C 5046 O O . ARG D 72 ? 0.5067 0.5557 0.7325 -0.2111 0.0191 -0.1034 71 ARG H O 5047 C CB . ARG D 72 ? 0.5685 0.5679 0.7692 -0.1651 0.0178 -0.0786 71 ARG H CB 5048 C CG . ARG D 72 ? 0.5350 0.5209 0.7454 -0.1684 0.0275 -0.0750 71 ARG H CG 5049 C CD . ARG D 72 ? 0.5173 0.5295 0.7400 -0.1726 0.0257 -0.0672 71 ARG H CD 5050 N NE . ARG D 72 ? 0.5582 0.5561 0.7904 -0.1771 0.0358 -0.0651 71 ARG H NE 5051 C CZ . ARG D 72 ? 0.6346 0.6535 0.8824 -0.1880 0.0374 -0.0642 71 ARG H CZ 5052 N NH1 . ARG D 72 ? 0.4506 0.4527 0.7062 -0.1913 0.0478 -0.0623 71 ARG H NH1 5053 N NH2 . ARG D 72 ? 0.4136 0.4725 0.6699 -0.1959 0.0288 -0.0639 71 ARG H NH2 5054 N N . ASP D 73 ? 0.6295 0.6269 0.8383 -0.2029 0.0284 -0.1159 72 ASP H N 5055 C CA . ASP D 73 ? 0.5583 0.5436 0.7733 -0.2218 0.0404 -0.1318 72 ASP H CA 5056 C C . ASP D 73 ? 0.5963 0.5377 0.8128 -0.2115 0.0553 -0.1279 72 ASP H C 5057 O O . ASP D 73 ? 0.6424 0.5601 0.8529 -0.2043 0.0614 -0.1309 72 ASP H O 5058 C CB . ASP D 73 ? 0.6196 0.6123 0.8271 -0.2376 0.0406 -0.1513 72 ASP H CB 5059 C CG . ASP D 73 ? 0.8959 0.8795 1.1065 -0.2602 0.0539 -0.1694 72 ASP H CG 5060 O OD1 . ASP D 73 ? 0.9953 0.9606 1.2149 -0.2613 0.0648 -0.1665 72 ASP H OD1 5061 O OD2 . ASP D 73 ? 1.0005 0.9949 1.1985 -0.2708 0.0530 -0.1824 72 ASP H OD2 5062 N N . THR D 74 ? 0.5482 0.4810 0.7741 -0.2103 0.0618 -0.1194 73 THR H N 5063 C CA . THR D 74 ? 0.6053 0.5012 0.8330 -0.1979 0.0749 -0.1103 73 THR H CA 5064 C C . THR D 74 ? 0.7370 0.6023 0.9683 -0.2060 0.0930 -0.1236 73 THR H C 5065 O O . THR D 74 ? 0.8154 0.6518 1.0469 -0.1920 0.1032 -0.1149 73 THR H O 5066 C CB . THR D 74 ? 0.5481 0.4427 0.7850 -0.1970 0.0791 -0.0995 73 THR H CB 5067 O OG1 . THR D 74 ? 0.6052 0.5142 0.8530 -0.2185 0.0829 -0.1118 73 THR H OG1 5068 C CG2 . THR D 74 ? 0.4944 0.4097 0.7264 -0.1845 0.0659 -0.0838 73 THR H CG2 5069 N N . SER D 75 ? 0.6857 0.5579 0.9197 -0.2291 0.0983 -0.1441 74 SER H N 5070 C CA . SER D 75 ? 0.8367 0.6790 1.0691 -0.2346 0.1176 -0.1562 74 SER H CA 5071 C C . SER D 75 ? 0.8162 0.6418 1.0416 -0.2257 0.1215 -0.1595 74 SER H C 5072 O O . SER D 75 ? 0.9531 0.7462 1.1804 -0.2206 0.1409 -0.1611 74 SER H O 5073 C CB . SER D 75 ? 0.8685 0.7300 1.0947 -0.2563 0.1187 -0.1737 74 SER H CB 5074 O OG . SER D 75 ? 0.8601 0.7591 1.0768 -0.2658 0.1013 -0.1814 74 SER H OG 5075 N N . ILE D 76 ? 0.7961 0.6439 1.0144 -0.2225 0.1048 -0.1594 75 ILE H N 5076 C CA . ILE D 76 ? 0.7398 0.5752 0.9509 -0.2115 0.1065 -0.1600 75 ILE H CA 5077 C C . ILE D 76 ? 0.7333 0.5769 0.9396 -0.1870 0.0920 -0.1384 75 ILE H C 5078 O O . ILE D 76 ? 0.7179 0.5604 0.9178 -0.1776 0.0887 -0.1372 75 ILE H O 5079 C CB . ILE D 76 ? 0.7710 0.6278 0.9699 -0.2266 0.0997 -0.1787 75 ILE H CB 5080 C CG1 . ILE D 76 ? 0.8827 0.7828 1.0764 -0.2283 0.0757 -0.1746 75 ILE H CG1 5081 C CG2 . ILE D 76 ? 0.5906 0.4486 0.7835 -0.2447 0.1104 -0.1944 75 ILE H CG2 5082 C CD1 . ILE D 76 ? 0.5318 0.4601 0.7125 -0.2429 0.0674 -0.1892 75 ILE H CD1 5083 N N . SER D 77 ? 0.7421 0.5942 0.9505 -0.1781 0.0843 -0.1222 76 SER H N 5084 C CA . SER D 77 ? 0.6462 0.5028 0.8485 -0.1576 0.0737 -0.1024 76 SER H CA 5085 C C . SER D 77 ? 0.5705 0.4508 0.7612 -0.1540 0.0573 -0.1040 76 SER H C 5086 O O . SER D 77 ? 0.6170 0.4946 0.8014 -0.1401 0.0531 -0.0946 76 SER H O 5087 C CB . SER D 77 ? 0.6980 0.5274 0.9044 -0.1424 0.0859 -0.0899 76 SER H CB 5088 O OG . SER D 77 ? 0.9023 0.7093 1.1203 -0.1440 0.1025 -0.0859 76 SER H OG 5089 N N . THR D 78 ? 0.5423 0.4483 0.7307 -0.1670 0.0483 -0.1146 77 THR H N 5090 C CA . THR D 78 ? 0.5975 0.5271 0.7762 -0.1650 0.0344 -0.1165 77 THR H CA 5091 C C . THR D 78 ? 0.6470 0.6046 0.8253 -0.1639 0.0223 -0.1076 77 THR H C 5092 O O . THR D 78 ? 0.5608 0.5318 0.7473 -0.1746 0.0228 -0.1093 77 THR H O 5093 C CB . THR D 78 ? 0.6609 0.5998 0.8371 -0.1815 0.0357 -0.1361 77 THR H CB 5094 O OG1 . THR D 78 ? 0.7539 0.6627 0.9312 -0.1820 0.0509 -0.1447 77 THR H OG1 5095 C CG2 . THR D 78 ? 0.5075 0.4719 0.6739 -0.1782 0.0216 -0.1358 77 THR H CG2 5096 N N . ALA D 79 ? 0.5548 0.5207 0.7246 -0.1512 0.0131 -0.0976 78 ALA H N 5097 C CA . ALA D 79 ? 0.4238 0.4141 0.5933 -0.1483 0.0046 -0.0886 78 ALA H CA 5098 C C . ALA D 79 ? 0.5674 0.5840 0.7329 -0.1519 -0.0046 -0.0938 78 ALA H C 5099 O O . ALA D 79 ? 0.5668 0.5790 0.7256 -0.1526 -0.0056 -0.1024 78 ALA H O 5100 C CB . ALA D 79 ? 0.4241 0.4036 0.5857 -0.1334 0.0037 -0.0744 78 ALA H CB 5101 N N . TYR D 80 ? 0.5391 0.5844 0.7101 -0.1535 -0.0102 -0.0869 79 TYR H N 5102 C CA . TYR D 80 ? 0.3644 0.4406 0.5339 -0.1570 -0.0187 -0.0883 79 TYR H CA 5103 C C . TYR D 80 ? 0.5176 0.6098 0.6889 -0.1449 -0.0218 -0.0718 79 TYR H C 5104 O O . TYR D 80 ? 0.5776 0.6692 0.7565 -0.1404 -0.0176 -0.0608 79 TYR H O 5105 C CB . TYR D 80 ? 0.4423 0.5484 0.6204 -0.1758 -0.0214 -0.0967 79 TYR H CB 5106 C CG . TYR D 80 ? 0.5708 0.6599 0.7467 -0.1912 -0.0149 -0.1156 79 TYR H CG 5107 C CD1 . TYR D 80 ? 0.5325 0.6107 0.7174 -0.2011 -0.0067 -0.1200 79 TYR H CD1 5108 C CD2 . TYR D 80 ? 0.6236 0.7059 0.7888 -0.1963 -0.0144 -0.1294 79 TYR H CD2 5109 C CE1 . TYR D 80 ? 0.7039 0.7627 0.8874 -0.2158 0.0030 -0.1379 79 TYR H CE1 5110 C CE2 . TYR D 80 ? 0.6301 0.6931 0.7935 -0.2107 -0.0044 -0.1474 79 TYR H CE2 5111 C CZ . TYR D 80 ? 0.6578 0.7080 0.8304 -0.2206 0.0050 -0.1518 79 TYR H CZ 5112 O OH . TYR D 80 ? 0.6427 0.6694 0.8140 -0.2353 0.0186 -0.1701 79 TYR H OH 5113 N N . MET D 81 ? 0.4302 0.5351 0.5950 -0.1398 -0.0272 -0.0701 80 MET H N 5114 C CA . MET D 81 ? 0.4005 0.5205 0.5675 -0.1284 -0.0276 -0.0546 80 MET H CA 5115 C C . MET D 81 ? 0.4774 0.6354 0.6477 -0.1333 -0.0352 -0.0534 80 MET H C 5116 O O . MET D 81 ? 0.6110 0.7699 0.7717 -0.1378 -0.0398 -0.0644 80 MET H O 5117 C CB . MET D 81 ? 0.3655 0.4586 0.5191 -0.1157 -0.0243 -0.0521 80 MET H CB 5118 C CG . MET D 81 ? 0.6262 0.7224 0.7809 -0.1040 -0.0188 -0.0369 80 MET H CG 5119 S SD . MET D 81 ? 0.8341 0.9617 0.9915 -0.0992 -0.0228 -0.0293 80 MET H SD 5120 C CE . MET D 81 ? 0.7859 0.9005 0.9267 -0.1016 -0.0295 -0.0448 80 MET H CE 5121 N N . GLU D 82 ? 0.3903 0.5818 0.5751 -0.1325 -0.0361 -0.0390 81 GLU H N 5122 C CA . GLU D 82 ? 0.4949 0.7299 0.6845 -0.1364 -0.0437 -0.0333 81 GLU H CA 5123 C C . GLU D 82 ? 0.4696 0.7170 0.6672 -0.1194 -0.0388 -0.0113 81 GLU H C 5124 O O . GLU D 82 ? 0.5147 0.7610 0.7248 -0.1115 -0.0308 0.0029 81 GLU H O 5125 C CB . GLU D 82 ? 0.4538 0.7283 0.6564 -0.1534 -0.0493 -0.0340 81 GLU H CB 5126 C CG . GLU D 82 ? 0.5171 0.8452 0.7256 -0.1581 -0.0580 -0.0241 81 GLU H CG 5127 C CD . GLU D 82 ? 0.7291 1.0998 0.9469 -0.1802 -0.0651 -0.0284 81 GLU H CD 5128 O OE1 . GLU D 82 ? 0.7957 1.1499 1.0156 -0.1917 -0.0618 -0.0403 81 GLU H OE1 5129 O OE2 . GLU D 82 ? 0.8291 1.2513 1.0519 -0.1869 -0.0735 -0.0193 81 GLU H OE2 5130 N N . LEU D 83 ? 0.4098 0.6659 0.6003 -0.1134 -0.0415 -0.0084 82 LEU H N 5131 C CA . LEU D 83 ? 0.4554 0.7216 0.6535 -0.0970 -0.0344 0.0125 82 LEU H CA 5132 C C . LEU D 83 ? 0.4821 0.8012 0.6892 -0.0999 -0.0424 0.0240 82 LEU H C 5133 O O . LEU D 83 ? 0.6143 0.9454 0.8097 -0.1098 -0.0520 0.0116 82 LEU H O 5134 C CB . LEU D 83 ? 0.4121 0.6409 0.5939 -0.0866 -0.0283 0.0076 82 LEU H CB 5135 C CG . LEU D 83 ? 0.4803 0.7078 0.6687 -0.0698 -0.0157 0.0273 82 LEU H CG 5136 C CD1 . LEU D 83 ? 0.4243 0.6402 0.6251 -0.0629 -0.0025 0.0397 82 LEU H CD1 5137 C CD2 . LEU D 83 ? 0.4529 0.6455 0.6230 -0.0639 -0.0107 0.0189 82 LEU H CD2 5138 N N . SER D 84 A 0.4702 0.8225 0.6984 -0.0915 -0.0377 0.0487 82 SER H N 5139 C CA . SER D 84 A 0.5025 0.9149 0.7428 -0.0950 -0.0462 0.0641 82 SER H CA 5140 C C . SER D 84 A 0.5039 0.9269 0.7540 -0.0744 -0.0361 0.0895 82 SER H C 5141 O O . SER D 84 A 0.4986 0.8833 0.7492 -0.0586 -0.0204 0.0959 82 SER H O 5142 C CB . SER D 84 A 0.4979 0.9538 0.7595 -0.1044 -0.0505 0.0754 82 SER H CB 5143 O OG . SER D 84 A 0.5889 1.0486 0.8730 -0.0870 -0.0368 0.1014 82 SER H OG 5144 N N . ARG D 85 B 0.5099 0.9860 0.7674 -0.0758 -0.0441 0.1041 82 ARG H N 5145 C CA . ARG D 85 B 0.5108 1.0031 0.7793 -0.0563 -0.0344 0.1307 82 ARG H CA 5146 C C . ARG D 85 B 0.5053 0.9442 0.7543 -0.0461 -0.0250 0.1191 82 ARG H C 5147 O O . ARG D 85 B 0.5274 0.9376 0.7822 -0.0285 -0.0067 0.1317 82 ARG H O 5148 C CB . ARG D 85 B 0.4714 0.9770 0.7692 -0.0395 -0.0188 0.1614 82 ARG H CB 5149 C CG . ARG D 85 B 0.4427 1.0206 0.7648 -0.0461 -0.0287 0.1829 82 ARG H CG 5150 C CD . ARG D 85 B 0.4947 1.0846 0.8485 -0.0291 -0.0120 0.2136 82 ARG H CD 5151 N NE . ARG D 85 B 0.6412 1.2066 0.9970 -0.0374 -0.0104 0.2003 82 ARG H NE 5152 C CZ . ARG D 85 B 0.7509 1.2613 1.1063 -0.0260 0.0083 0.1977 82 ARG H CZ 5153 N NH1 . ARG D 85 B 0.7581 1.2311 1.1111 -0.0069 0.0279 0.2062 82 ARG H NH1 5154 N NH2 . ARG D 85 B 0.7825 1.2756 1.1393 -0.0348 0.0083 0.1862 82 ARG H NH2 5155 N N . LEU D 86 C 0.5848 1.0116 0.8105 -0.0588 -0.0368 0.0943 82 LEU H N 5156 C CA . LEU D 86 C 0.6715 1.0494 0.8773 -0.0533 -0.0309 0.0792 82 LEU H CA 5157 C C . LEU D 86 C 0.6716 1.0557 0.8817 -0.0365 -0.0205 0.0988 82 LEU H C 5158 O O . LEU D 86 C 0.6379 1.0697 0.8566 -0.0348 -0.0257 0.1158 82 LEU H O 5159 C CB . LEU D 86 C 0.6139 0.9857 0.7978 -0.0702 -0.0453 0.0517 82 LEU H CB 5160 C CG . LEU D 86 C 0.5538 0.8801 0.7233 -0.0795 -0.0468 0.0254 82 LEU H CG 5161 C CD1 . LEU D 86 C 0.5129 0.8137 0.6916 -0.0739 -0.0370 0.0300 82 LEU H CD1 5162 C CD2 . LEU D 86 C 0.4580 0.8020 0.6200 -0.1005 -0.0601 0.0064 82 LEU H CD2 5163 N N . ARG D 87 ? 0.5797 0.9158 0.7830 -0.0254 -0.0050 0.0961 83 ARG H N 5164 C CA . ARG D 87 ? 0.5776 0.9061 0.7808 -0.0112 0.0077 0.1089 83 ARG H CA 5165 C C . ARG D 87 ? 0.6246 0.9131 0.8029 -0.0164 0.0055 0.0843 83 ARG H C 5166 O O . ARG D 87 ? 0.5687 0.8324 0.7326 -0.0281 -0.0029 0.0607 83 ARG H O 5167 C CB . ARG D 87 ? 0.6857 0.9918 0.9040 0.0056 0.0327 0.1285 83 ARG H CB 5168 C CG . ARG D 87 ? 0.8172 1.1551 1.0617 0.0111 0.0371 0.1515 83 ARG H CG 5169 C CD . ARG D 87 ? 0.9801 1.2944 1.2405 0.0296 0.0661 0.1729 83 ARG H CD 5170 N NE . ARG D 87 ? 1.0152 1.2694 1.2601 0.0266 0.0789 0.1535 83 ARG H NE 5171 C CZ . ARG D 87 ? 1.0379 1.2773 1.2889 0.0250 0.0855 0.1526 83 ARG H CZ 5172 N NH1 . ARG D 87 ? 1.0517 1.2384 1.2853 0.0207 0.0968 0.1347 83 ARG H NH1 5173 N NH2 . ARG D 87 ? 0.9742 1.2540 1.2483 0.0267 0.0809 0.1701 83 ARG H NH2 5174 N N . SER D 88 ? 0.7384 1.0218 0.9135 -0.0070 0.0142 0.0916 84 SER H N 5175 C CA . SER D 88 ? 0.6259 0.8776 0.7794 -0.0120 0.0117 0.0702 84 SER H CA 5176 C C . SER D 88 ? 0.5772 0.7780 0.7194 -0.0148 0.0202 0.0541 84 SER H C 5177 O O . SER D 88 ? 0.5692 0.7502 0.6952 -0.0249 0.0105 0.0322 84 SER H O 5178 C CB . SER D 88 ? 0.6458 0.9009 0.7997 -0.0009 0.0220 0.0829 84 SER H CB 5179 O OG . SER D 88 ? 0.8465 1.0975 1.0174 0.0147 0.0439 0.1071 84 SER H OG 5180 N N . ASP D 89 ? 0.5014 0.6820 0.6522 -0.0063 0.0392 0.0656 85 ASP H N 5181 C CA . ASP D 89 ? 0.5200 0.6554 0.6587 -0.0109 0.0485 0.0514 85 ASP H CA 5182 C C . ASP D 89 ? 0.5851 0.7173 0.7210 -0.0215 0.0362 0.0387 85 ASP H C 5183 O O . ASP D 89 ? 0.6419 0.7419 0.7690 -0.0256 0.0432 0.0294 85 ASP H O 5184 C CB . ASP D 89 ? 0.6940 0.8081 0.8418 0.0000 0.0755 0.0668 85 ASP H CB 5185 C CG . ASP D 89 ? 0.9236 1.0657 1.0963 0.0096 0.0817 0.0906 85 ASP H CG 5186 O OD1 . ASP D 89 ? 0.8534 0.9738 1.0329 0.0147 0.1012 0.0980 85 ASP H OD1 5187 O OD2 . ASP D 89 ? 1.1350 1.3226 1.3203 0.0112 0.0675 0.1020 85 ASP H OD2 5188 N N . ASP D 90 ? 0.5682 0.7331 0.7110 -0.0272 0.0192 0.0381 86 ASP H N 5189 C CA . ASP D 90 ? 0.5666 0.7248 0.7041 -0.0388 0.0074 0.0225 86 ASP H CA 5190 C C . ASP D 90 ? 0.5534 0.6997 0.6738 -0.0481 -0.0051 0.0015 86 ASP H C 5191 O O . ASP D 90 ? 0.5445 0.6808 0.6601 -0.0568 -0.0128 -0.0116 86 ASP H O 5192 C CB . ASP D 90 ? 0.5732 0.7704 0.7261 -0.0430 -0.0025 0.0303 86 ASP H CB 5193 C CG . ASP D 90 ? 0.7136 0.9220 0.8862 -0.0338 0.0101 0.0518 86 ASP H CG 5194 O OD1 . ASP D 90 ? 0.7651 0.9410 0.9363 -0.0298 0.0242 0.0522 86 ASP H OD1 5195 O OD2 . ASP D 90 ? 0.7487 1.0001 0.9386 -0.0309 0.0068 0.0692 86 ASP H OD2 5196 N N . THR D 91 ? 0.6104 0.7577 0.7233 -0.0456 -0.0056 -0.0005 87 THR H N 5197 C CA . THR D 91 ? 0.5325 0.6660 0.6307 -0.0524 -0.0143 -0.0186 87 THR H CA 5198 C C . THR D 91 ? 0.4791 0.5772 0.5672 -0.0550 -0.0095 -0.0281 87 THR H C 5199 O O . THR D 91 ? 0.5560 0.6348 0.6401 -0.0509 0.0032 -0.0239 87 THR H O 5200 C CB . THR D 91 ? 0.5208 0.6598 0.6138 -0.0478 -0.0126 -0.0168 87 THR H CB 5201 O OG1 . THR D 91 ? 0.5737 0.7500 0.6736 -0.0477 -0.0196 -0.0091 87 THR H OG1 5202 C CG2 . THR D 91 ? 0.2994 0.4212 0.3789 -0.0535 -0.0188 -0.0339 87 THR H CG2 5203 N N . ALA D 92 ? 0.4470 0.5377 0.5311 -0.0627 -0.0184 -0.0403 88 ALA H N 5204 C CA . ALA D 92 ? 0.5206 0.5843 0.5961 -0.0658 -0.0157 -0.0468 88 ALA H CA 5205 C C . ALA D 92 ? 0.4121 0.4734 0.4867 -0.0723 -0.0257 -0.0576 88 ALA H C 5206 O O . ALA D 92 ? 0.4193 0.4965 0.4998 -0.0759 -0.0325 -0.0613 88 ALA H O 5207 C CB . ALA D 92 ? 0.5299 0.5829 0.6088 -0.0644 -0.0058 -0.0390 88 ALA H CB 5208 N N . VAL D 93 ? 0.4062 0.4483 0.4732 -0.0747 -0.0252 -0.0622 89 VAL H N 5209 C CA . VAL D 93 ? 0.4548 0.4907 0.5235 -0.0788 -0.0306 -0.0682 89 VAL H CA 5210 C C . VAL D 93 ? 0.5662 0.5965 0.6394 -0.0805 -0.0272 -0.0638 89 VAL H C 5211 O O . VAL D 93 ? 0.5154 0.5357 0.5838 -0.0795 -0.0200 -0.0584 89 VAL H O 5212 C CB . VAL D 93 ? 0.4409 0.4648 0.5015 -0.0795 -0.0319 -0.0713 89 VAL H CB 5213 C CG1 . VAL D 93 ? 0.3598 0.3770 0.4249 -0.0815 -0.0348 -0.0735 89 VAL H CG1 5214 C CG2 . VAL D 93 ? 0.4702 0.5004 0.5281 -0.0776 -0.0346 -0.0754 89 VAL H CG2 5215 N N . TYR D 94 ? 0.5241 0.5596 0.6060 -0.0841 -0.0307 -0.0669 90 TYR H N 5216 C CA . TYR D 94 ? 0.4952 0.5273 0.5833 -0.0862 -0.0276 -0.0629 90 TYR H CA 5217 C C . TYR D 94 ? 0.5595 0.5763 0.6470 -0.0889 -0.0283 -0.0666 90 TYR H C 5218 O O . TYR D 94 ? 0.4880 0.5040 0.5787 -0.0912 -0.0312 -0.0736 90 TYR H O 5219 C CB . TYR D 94 ? 0.3685 0.4215 0.4685 -0.0897 -0.0298 -0.0622 90 TYR H CB 5220 C CG . TYR D 94 ? 0.3802 0.4515 0.4844 -0.0849 -0.0272 -0.0523 90 TYR H CG 5221 C CD1 . TYR D 94 ? 0.4480 0.5317 0.5491 -0.0822 -0.0296 -0.0523 90 TYR H CD1 5222 C CD2 . TYR D 94 ? 0.3110 0.3868 0.4236 -0.0820 -0.0205 -0.0411 90 TYR H CD2 5223 C CE1 . TYR D 94 ? 0.4735 0.5742 0.5801 -0.0761 -0.0254 -0.0403 90 TYR H CE1 5224 C CE2 . TYR D 94 ? 0.4378 0.5303 0.5573 -0.0754 -0.0154 -0.0288 90 TYR H CE2 5225 C CZ . TYR D 94 ? 0.4278 0.5331 0.5446 -0.0722 -0.0178 -0.0278 90 TYR H CZ 5226 O OH . TYR D 94 ? 0.4482 0.5708 0.5736 -0.0640 -0.0112 -0.0128 90 TYR H OH 5227 N N . TYR D 95 ? 0.4431 0.4474 0.5266 -0.0884 -0.0238 -0.0610 91 TYR H N 5228 C CA . TYR D 95 ? 0.5044 0.4958 0.5868 -0.0895 -0.0234 -0.0604 91 TYR H CA 5229 C C . TYR D 95 ? 0.5123 0.4992 0.6016 -0.0919 -0.0192 -0.0570 91 TYR H C 5230 O O . TYR D 95 ? 0.4345 0.4220 0.5230 -0.0917 -0.0145 -0.0520 91 TYR H O 5231 C CB . TYR D 95 ? 0.4691 0.4525 0.5379 -0.0888 -0.0220 -0.0558 91 TYR H CB 5232 C CG . TYR D 95 ? 0.4882 0.4759 0.5501 -0.0875 -0.0259 -0.0582 91 TYR H CG 5233 C CD1 . TYR D 95 ? 0.4965 0.4855 0.5624 -0.0856 -0.0299 -0.0589 91 TYR H CD1 5234 C CD2 . TYR D 95 ? 0.4392 0.4286 0.4914 -0.0880 -0.0234 -0.0586 91 TYR H CD2 5235 C CE1 . TYR D 95 ? 0.4857 0.4804 0.5469 -0.0842 -0.0331 -0.0599 91 TYR H CE1 5236 C CE2 . TYR D 95 ? 0.5405 0.5342 0.5866 -0.0878 -0.0265 -0.0609 91 TYR H CE2 5237 C CZ . TYR D 95 ? 0.5172 0.5150 0.5681 -0.0860 -0.0322 -0.0614 91 TYR H CZ 5238 O OH . TYR D 95 ? 0.5585 0.5627 0.6053 -0.0856 -0.0351 -0.0628 91 TYR H OH 5239 N N . CYS D 96 ? 0.5848 0.5654 0.6817 -0.0939 -0.0189 -0.0591 92 CYS H N 5240 C CA . CYS D 96 ? 0.6891 0.6606 0.7899 -0.0956 -0.0140 -0.0543 92 CYS H CA 5241 C C . CYS D 96 ? 0.6497 0.6102 0.7413 -0.0929 -0.0126 -0.0472 92 CYS H C 5242 O O . CYS D 96 ? 0.5994 0.5597 0.6887 -0.0901 -0.0154 -0.0465 92 CYS H O 5243 C CB . CYS D 96 ? 0.5841 0.5535 0.6984 -0.1002 -0.0119 -0.0599 92 CYS H CB 5244 S SG . CYS D 96 ? 0.8172 0.7756 0.9351 -0.0985 -0.0103 -0.0643 92 CYS H SG 5245 N N . ALA D 97 ? 0.5219 0.4760 0.6085 -0.0940 -0.0079 -0.0407 93 ALA H N 5246 C CA . ALA D 97 ? 0.5012 0.4496 0.5762 -0.0936 -0.0070 -0.0328 93 ALA H CA 5247 C C . ALA D 97 ? 0.5217 0.4612 0.5994 -0.0950 -0.0009 -0.0267 93 ALA H C 5248 O O . ALA D 97 ? 0.6474 0.5846 0.7286 -0.0971 0.0038 -0.0277 93 ALA H O 5249 C CB . ALA D 97 ? 0.4316 0.3822 0.4883 -0.0963 -0.0067 -0.0323 93 ALA H CB 5250 N N . LYS D 98 ? 0.4753 0.4113 0.5526 -0.0931 -0.0004 -0.0185 94 LYS H N 5251 C CA . LYS D 98 ? 0.5190 0.4463 0.5994 -0.0936 0.0059 -0.0111 94 LYS H CA 5252 C C . LYS D 98 ? 0.6841 0.6123 0.7445 -0.0972 0.0074 -0.0033 94 LYS H C 5253 O O . LYS D 98 ? 0.6716 0.6088 0.7211 -0.0975 0.0029 0.0029 94 LYS H O 5254 C CB . LYS D 98 ? 0.4175 0.3401 0.5117 -0.0887 0.0082 -0.0049 94 LYS H CB 5255 C CG . LYS D 98 ? 0.4956 0.4113 0.5903 -0.0876 0.0146 0.0071 94 LYS H CG 5256 C CD . LYS D 98 ? 0.5570 0.4678 0.6666 -0.0806 0.0192 0.0161 94 LYS H CD 5257 C CE . LYS D 98 ? 0.6049 0.5157 0.7109 -0.0778 0.0235 0.0336 94 LYS H CE 5258 N NZ . LYS D 98 ? 0.6684 0.5948 0.7513 -0.0819 0.0162 0.0399 94 LYS H NZ 5259 N N . ILE D 99 ? 0.5799 0.5007 0.6355 -0.1009 0.0142 -0.0035 95 ILE H N 5260 C CA . ILE D 99 ? 0.5276 0.4463 0.5623 -0.1066 0.0184 0.0020 95 ILE H CA 5261 C C . ILE D 99 ? 0.5742 0.4941 0.6085 -0.1051 0.0188 0.0150 95 ILE H C 5262 O O . ILE D 99 ? 0.6095 0.5243 0.6622 -0.0996 0.0210 0.0192 95 ILE H O 5263 C CB . ILE D 99 ? 0.4807 0.3888 0.5132 -0.1098 0.0285 -0.0016 95 ILE H CB 5264 C CG1 . ILE D 99 ? 0.4945 0.3981 0.5005 -0.1182 0.0352 -0.0012 95 ILE H CG1 5265 C CG2 . ILE D 99 ? 0.4483 0.3491 0.4961 -0.1075 0.0339 0.0031 95 ILE H CG2 5266 C CD1 . ILE D 99 ? 0.5944 0.5029 0.5852 -0.1228 0.0327 -0.0081 95 ILE H CD1 5267 N N . SER D 100 ? 0.5647 0.4926 0.5776 -0.1110 0.0177 0.0218 96 SER H N 5268 C CA . SER D 100 ? 0.5835 0.5182 0.5933 -0.1101 0.0178 0.0375 96 SER H CA 5269 C C . SER D 100 ? 0.5453 0.4724 0.5375 -0.1180 0.0263 0.0397 96 SER H C 5270 O O . SER D 100 ? 0.6950 0.6107 0.6776 -0.1239 0.0331 0.0290 96 SER H O 5271 C CB . SER D 100 ? 0.6207 0.5782 0.6193 -0.1122 0.0087 0.0463 96 SER H CB 5272 O OG . SER D 100 ? 0.6768 0.6415 0.6459 -0.1259 0.0086 0.0424 96 SER H OG 5273 N N . GLY D 101 ? 0.6024 0.5363 0.5905 -0.1176 0.0273 0.0550 97 GLY H N 5274 C CA . GLY D 101 ? 0.6435 0.5719 0.6119 -0.1262 0.0356 0.0579 97 GLY H CA 5275 C C . GLY D 101 ? 0.7613 0.6987 0.6959 -0.1415 0.0353 0.0527 97 GLY H C 5276 O O . GLY D 101 ? 0.7955 0.7249 0.7101 -0.1510 0.0446 0.0513 97 GLY H O 5277 N N . SER D 102 ? 0.6804 0.6337 0.6077 -0.1453 0.0262 0.0491 98 SER H N 5278 C CA . SER D 102 ? 0.7728 0.7338 0.6678 -0.1626 0.0271 0.0407 98 SER H CA 5279 C C . SER D 102 ? 0.7849 0.7271 0.6771 -0.1658 0.0339 0.0214 98 SER H C 5280 O O . SER D 102 ? 0.7785 0.7241 0.6468 -0.1799 0.0361 0.0119 98 SER H O 5281 C CB . SER D 102 ? 0.7226 0.7162 0.6103 -0.1669 0.0135 0.0499 98 SER H CB 5282 O OG . SER D 102 ? 0.7784 0.7759 0.6895 -0.1552 0.0054 0.0482 98 SER H OG 5283 N N . TYR D 103 ? 0.8399 0.7642 0.7565 -0.1538 0.0382 0.0163 99 TYR H N 5284 C CA . TYR D 103 ? 0.8776 0.7868 0.7969 -0.1537 0.0454 0.0021 99 TYR H CA 5285 C C . TYR D 103 ? 0.7565 0.6776 0.6716 -0.1562 0.0370 -0.0041 99 TYR H C 5286 O O . TYR D 103 ? 0.8492 0.7631 0.7482 -0.1652 0.0443 -0.0150 99 TYR H O 5287 C CB . TYR D 103 ? 0.9825 0.8726 0.8802 -0.1647 0.0631 -0.0055 99 TYR H CB 5288 C CG . TYR D 103 ? 1.1673 1.0460 1.0730 -0.1605 0.0714 0.0013 99 TYR H CG 5289 C CD1 . TYR D 103 ? 1.1139 0.9913 1.0512 -0.1463 0.0676 0.0067 99 TYR H CD1 5290 C CD2 . TYR D 103 ? 1.2845 1.1547 1.1656 -0.1721 0.0832 0.0018 99 TYR H CD2 5291 C CE1 . TYR D 103 ? 1.1643 1.0322 1.1104 -0.1431 0.0754 0.0129 99 TYR H CE1 5292 C CE2 . TYR D 103 ? 1.3790 1.2390 1.2685 -0.1677 0.0911 0.0087 99 TYR H CE2 5293 C CZ . TYR D 103 ? 1.3577 1.2168 1.2806 -0.1529 0.0869 0.0145 99 TYR H CZ 5294 O OH . TYR D 103 ? 1.4164 1.2659 1.3484 -0.1496 0.0952 0.0211 99 TYR H OH 5295 N N . SER D 104 ? 0.6857 0.6240 0.6166 -0.1480 0.0232 0.0033 100 SER H N 5296 C CA . SER D 104 ? 0.6676 0.6185 0.6012 -0.1470 0.0141 -0.0007 100 SER H CA 5297 C C . SER D 104 ? 0.7323 0.6850 0.6963 -0.1315 0.0069 0.0025 100 SER H C 5298 O O . SER D 104 ? 0.7143 0.6624 0.6945 -0.1237 0.0077 0.0097 100 SER H O 5299 C CB . SER D 104 ? 0.5152 0.4914 0.4314 -0.1567 0.0053 0.0067 100 SER H CB 5300 O OG . SER D 104 ? 0.6271 0.6169 0.5504 -0.1517 0.0001 0.0237 100 SER H OG 5301 N N . PHE D 105 A 0.6633 0.6215 0.6341 -0.1284 0.0011 -0.0037 100 PHE H N 5302 C CA . PHE D 105 A 0.4830 0.4421 0.4795 -0.1161 -0.0042 -0.0036 100 PHE H CA 5303 C C . PHE D 105 A 0.5112 0.4887 0.5135 -0.1122 -0.0133 0.0066 100 PHE H C 5304 O O . PHE D 105 A 0.6360 0.6256 0.6340 -0.1141 -0.0191 0.0041 100 PHE H O 5305 C CB . PHE D 105 A 0.5191 0.4732 0.5204 -0.1143 -0.0035 -0.0157 100 PHE H CB 5306 C CG . PHE D 105 A 0.6479 0.5872 0.6490 -0.1154 0.0067 -0.0217 100 PHE H CG 5307 C CD1 . PHE D 105 A 0.6308 0.5635 0.6494 -0.1098 0.0098 -0.0202 100 PHE H CD1 5308 C CD2 . PHE D 105 A 0.7689 0.7014 0.7538 -0.1222 0.0148 -0.0280 100 PHE H CD2 5309 C CE1 . PHE D 105 A 0.6671 0.5907 0.6887 -0.1099 0.0193 -0.0228 100 PHE H CE1 5310 C CE2 . PHE D 105 A 0.8234 0.7427 0.8115 -0.1211 0.0267 -0.0305 100 PHE H CE2 5311 C CZ . PHE D 105 A 0.7835 0.7006 0.7909 -0.1143 0.0281 -0.0269 100 PHE H CZ 5312 N N . ASP D 106 ? 0.5284 0.5082 0.5422 -0.1059 -0.0131 0.0195 101 ASP H N 5313 C CA . ASP D 106 ? 0.6244 0.6225 0.6476 -0.0997 -0.0190 0.0338 101 ASP H CA 5314 C C . ASP D 106 ? 0.5564 0.5500 0.6035 -0.0885 -0.0194 0.0311 101 ASP H C 5315 O O . ASP D 106 ? 0.6639 0.6728 0.7194 -0.0830 -0.0234 0.0409 101 ASP H O 5316 C CB . ASP D 106 ? 0.6810 0.6839 0.7077 -0.0965 -0.0160 0.0519 101 ASP H CB 5317 C CG . ASP D 106 ? 1.0618 1.0411 1.1020 -0.0913 -0.0067 0.0499 101 ASP H CG 5318 O OD1 . ASP D 106 ? 1.0916 1.0542 1.1372 -0.0918 -0.0035 0.0345 101 ASP H OD1 5319 O OD2 . ASP D 106 ? 1.1321 1.1121 1.1782 -0.0871 -0.0024 0.0649 101 ASP H OD2 5320 N N . TYR D 107 ? 0.4602 0.4351 0.5181 -0.0860 -0.0149 0.0184 102 TYR H N 5321 C CA . TYR D 107 ? 0.5627 0.5322 0.6400 -0.0784 -0.0138 0.0132 102 TYR H CA 5322 C C . TYR D 107 ? 0.5361 0.4985 0.6126 -0.0819 -0.0146 -0.0045 102 TYR H C 5323 O O . TYR D 107 ? 0.5563 0.5101 0.6298 -0.0861 -0.0114 -0.0108 102 TYR H O 5324 C CB . TYR D 107 ? 0.5314 0.4871 0.6278 -0.0719 -0.0049 0.0188 102 TYR H CB 5325 C CG . TYR D 107 ? 0.5019 0.4665 0.6050 -0.0647 -0.0025 0.0397 102 TYR H CG 5326 C CD1 . TYR D 107 ? 0.4223 0.3954 0.5389 -0.0560 -0.0019 0.0486 102 TYR H CD1 5327 C CD2 . TYR D 107 ? 0.4430 0.4093 0.5403 -0.0659 0.0001 0.0526 102 TYR H CD2 5328 C CE1 . TYR D 107 ? 0.5838 0.5691 0.7100 -0.0475 0.0012 0.0720 102 TYR H CE1 5329 C CE2 . TYR D 107 ? 0.5274 0.5062 0.6320 -0.0585 0.0023 0.0753 102 TYR H CE2 5330 C CZ . TYR D 107 ? 0.6045 0.5941 0.7245 -0.0488 0.0028 0.0859 102 TYR H CZ 5331 O OH . TYR D 107 ? 0.7819 0.7876 0.9124 -0.0396 0.0059 0.1122 102 TYR H OH 5332 N N . TRP D 108 ? 0.4329 0.4008 0.5129 -0.0796 -0.0184 -0.0106 103 TRP H N 5333 C CA . TRP D 108 ? 0.4134 0.3795 0.4927 -0.0822 -0.0199 -0.0249 103 TRP H CA 5334 C C . TRP D 108 ? 0.4065 0.3683 0.5012 -0.0784 -0.0179 -0.0318 103 TRP H C 5335 O O . TRP D 108 ? 0.5133 0.4742 0.6177 -0.0726 -0.0153 -0.0258 103 TRP H O 5336 C CB . TRP D 108 ? 0.4349 0.4118 0.5001 -0.0851 -0.0254 -0.0276 103 TRP H CB 5337 C CG . TRP D 108 ? 0.4058 0.3844 0.4527 -0.0922 -0.0248 -0.0249 103 TRP H CG 5338 C CD1 . TRP D 108 ? 0.3797 0.3635 0.4169 -0.0957 -0.0250 -0.0147 103 TRP H CD1 5339 C CD2 . TRP D 108 ? 0.4312 0.4058 0.4663 -0.0974 -0.0218 -0.0325 103 TRP H CD2 5340 N NE1 . TRP D 108 ? 0.4474 0.4291 0.4651 -0.1049 -0.0220 -0.0181 103 TRP H NE1 5341 C CE2 . TRP D 108 ? 0.4114 0.3854 0.4285 -0.1053 -0.0187 -0.0288 103 TRP H CE2 5342 C CE3 . TRP D 108 ? 0.5368 0.5091 0.5752 -0.0962 -0.0200 -0.0409 103 TRP H CE3 5343 C CZ2 . TRP D 108 ? 0.4433 0.4095 0.4460 -0.1119 -0.0114 -0.0348 103 TRP H CZ2 5344 C CZ3 . TRP D 108 ? 0.5060 0.4731 0.5326 -0.1006 -0.0135 -0.0438 103 TRP H CZ3 5345 C CH2 . TRP D 108 ? 0.3758 0.3374 0.3849 -0.1083 -0.0080 -0.0415 103 TRP H CH2 5346 N N . GLY D 109 ? 0.3920 0.3524 0.4888 -0.0820 -0.0180 -0.0438 104 GLY H N 5347 C CA . GLY D 109 ? 0.4883 0.4482 0.5938 -0.0815 -0.0170 -0.0534 104 GLY H CA 5348 C C . GLY D 109 ? 0.4526 0.4219 0.5526 -0.0784 -0.0220 -0.0540 104 GLY H C 5349 O O . GLY D 109 ? 0.4648 0.4420 0.5538 -0.0782 -0.0266 -0.0488 104 GLY H O 5350 N N . GLN D 110 ? 0.4994 0.4671 0.6065 -0.0772 -0.0198 -0.0615 105 GLN H N 5351 C CA . GLN D 110 ? 0.5743 0.5509 0.6775 -0.0741 -0.0238 -0.0625 105 GLN H CA 5352 C C . GLN D 110 ? 0.6168 0.6032 0.7103 -0.0781 -0.0293 -0.0705 105 GLN H C 5353 O O . GLN D 110 ? 0.6656 0.6597 0.7540 -0.0761 -0.0327 -0.0708 105 GLN H O 5354 C CB . GLN D 110 ? 0.4396 0.4094 0.5539 -0.0707 -0.0171 -0.0668 105 GLN H CB 5355 C CG . GLN D 110 ? 0.4791 0.4459 0.5939 -0.0773 -0.0141 -0.0831 105 GLN H CG 5356 C CD . GLN D 110 ? 0.5763 0.5319 0.6972 -0.0843 -0.0071 -0.0901 105 GLN H CD 5357 O OE1 . GLN D 110 ? 0.5647 0.5144 0.6890 -0.0837 -0.0052 -0.0827 105 GLN H OE1 5358 N NE2 . GLN D 110 ? 0.5185 0.4721 0.6398 -0.0926 -0.0027 -0.1049 105 GLN H NE2 5359 N N . GLY D 111 ? 0.5871 0.5749 0.6796 -0.0830 -0.0294 -0.0749 106 GLY H N 5360 C CA . GLY D 111 ? 0.4989 0.4981 0.5850 -0.0850 -0.0330 -0.0783 106 GLY H CA 5361 C C . GLY D 111 ? 0.5495 0.5569 0.6394 -0.0890 -0.0336 -0.0883 106 GLY H C 5362 O O . GLY D 111 ? 0.6003 0.6026 0.6946 -0.0903 -0.0308 -0.0953 106 GLY H O 5363 N N . THR D 112 ? 0.5070 0.5284 0.5953 -0.0914 -0.0360 -0.0884 107 THR H N 5364 C CA . THR D 112 ? 0.4640 0.5006 0.5541 -0.0972 -0.0381 -0.0963 107 THR H CA 5365 C C . THR D 112 ? 0.5184 0.5715 0.6038 -0.0937 -0.0411 -0.0913 107 THR H C 5366 O O . THR D 112 ? 0.5484 0.6094 0.6357 -0.0917 -0.0404 -0.0827 107 THR H O 5367 C CB . THR D 112 ? 0.5455 0.5893 0.6430 -0.1056 -0.0373 -0.0990 107 THR H CB 5368 O OG1 . THR D 112 ? 0.5764 0.6019 0.6788 -0.1089 -0.0320 -0.1041 107 THR H OG1 5369 C CG2 . THR D 112 ? 0.5323 0.5987 0.6295 -0.1144 -0.0406 -0.1067 107 THR H CG2 5370 N N . LEU D 113 ? 0.4618 0.5186 0.5421 -0.0921 -0.0427 -0.0956 108 LEU H N 5371 C CA . LEU D 113 ? 0.4434 0.5157 0.5198 -0.0885 -0.0442 -0.0905 108 LEU H CA 5372 C C . LEU D 113 ? 0.4947 0.5927 0.5753 -0.0939 -0.0471 -0.0896 108 LEU H C 5373 O O . LEU D 113 ? 0.5186 0.6250 0.5994 -0.1031 -0.0493 -0.0994 108 LEU H O 5374 C CB . LEU D 113 ? 0.5345 0.6052 0.6047 -0.0861 -0.0449 -0.0957 108 LEU H CB 5375 C CG . LEU D 113 ? 0.5846 0.6694 0.6509 -0.0816 -0.0450 -0.0895 108 LEU H CG 5376 C CD1 . LEU D 113 ? 0.4887 0.5648 0.5539 -0.0756 -0.0402 -0.0792 108 LEU H CD1 5377 C CD2 . LEU D 113 ? 0.3097 0.3937 0.3703 -0.0801 -0.0454 -0.0954 108 LEU H CD2 5378 N N . VAL D 114 ? 0.3845 0.4959 0.4686 -0.0890 -0.0459 -0.0771 109 VAL H N 5379 C CA . VAL D 114 ? 0.4666 0.6099 0.5568 -0.0923 -0.0490 -0.0709 109 VAL H CA 5380 C C . VAL D 114 ? 0.4094 0.5650 0.4980 -0.0834 -0.0468 -0.0600 109 VAL H C 5381 O O . VAL D 114 ? 0.5383 0.6826 0.6285 -0.0742 -0.0394 -0.0497 109 VAL H O 5382 C CB . VAL D 114 ? 0.5442 0.6955 0.6457 -0.0929 -0.0472 -0.0615 109 VAL H CB 5383 C CG1 . VAL D 114 ? 0.5056 0.6972 0.6157 -0.0955 -0.0509 -0.0513 109 VAL H CG1 5384 C CG2 . VAL D 114 ? 0.5144 0.6522 0.6176 -0.1020 -0.0482 -0.0725 109 VAL H CG2 5385 N N . THR D 115 ? 0.4699 0.6470 0.5546 -0.0870 -0.0515 -0.0629 110 THR H N 5386 C CA . THR D 115 ? 0.5826 0.7732 0.6660 -0.0785 -0.0490 -0.0518 110 THR H CA 5387 C C . THR D 115 ? 0.5964 0.8293 0.6883 -0.0802 -0.0526 -0.0386 110 THR H C 5388 O O . THR D 115 ? 0.7449 1.0021 0.8340 -0.0925 -0.0606 -0.0462 110 THR H O 5389 C CB . THR D 115 ? 0.6269 0.8111 0.6987 -0.0801 -0.0509 -0.0631 110 THR H CB 5390 O OG1 . THR D 115 ? 0.6837 0.8340 0.7505 -0.0788 -0.0482 -0.0731 110 THR H OG1 5391 C CG2 . THR D 115 ? 0.5791 0.7741 0.6500 -0.0705 -0.0467 -0.0509 110 THR H CG2 5392 N N . VAL D 116 ? 0.5551 0.7979 0.6577 -0.0687 -0.0455 -0.0183 111 VAL H N 5393 C CA . VAL D 116 ? 0.5342 0.8219 0.6492 -0.0671 -0.0475 0.0007 111 VAL H CA 5394 C C . VAL D 116 ? 0.5342 0.8384 0.6469 -0.0588 -0.0448 0.0120 111 VAL H C 5395 O O . VAL D 116 ? 0.5178 0.7994 0.6311 -0.0461 -0.0331 0.0197 111 VAL H O 5396 C CB . VAL D 116 ? 0.4880 0.7770 0.6203 -0.0576 -0.0384 0.0194 111 VAL H CB 5397 C CG1 . VAL D 116 ? 0.4680 0.8095 0.6166 -0.0551 -0.0408 0.0424 111 VAL H CG1 5398 C CG2 . VAL D 116 ? 0.4683 0.7369 0.6015 -0.0654 -0.0400 0.0078 111 VAL H CG2 5399 N N . SER D 117 ? 0.4346 0.7783 0.5438 -0.0670 -0.0545 0.0128 112 SER H N 5400 C CA . SER D 117 ? 0.3693 0.7292 0.4742 -0.0602 -0.0527 0.0223 112 SER H CA 5401 C C . SER D 117 ? 0.4323 0.8496 0.5375 -0.0699 -0.0636 0.0305 112 SER H C 5402 O O . SER D 117 ? 0.5562 0.9923 0.6572 -0.0874 -0.0740 0.0180 112 SER H O 5403 C CB . SER D 117 ? 0.3444 0.6707 0.4314 -0.0629 -0.0525 0.0013 112 SER H CB 5404 O OG . SER D 117 ? 0.4932 0.8395 0.5739 -0.0600 -0.0528 0.0075 112 SER H OG 5405 N N . SER D 118 ? 0.4914 0.9374 0.6014 -0.0595 -0.0603 0.0520 113 SER H N 5406 C CA . SER D 118 ? 0.5661 1.0711 0.6735 -0.0690 -0.0711 0.0614 113 SER H CA 5407 C C . SER D 118 ? 0.4836 0.9866 0.5677 -0.0804 -0.0769 0.0414 113 SER H C 5408 O O . SER D 118 ? 0.4566 1.0066 0.5326 -0.0938 -0.0869 0.0426 113 SER H O 5409 C CB . SER D 118 ? 0.6842 1.2266 0.8100 -0.0511 -0.0638 0.0985 113 SER H CB 5410 O OG . SER D 118 ? 0.8132 1.3630 0.9625 -0.0410 -0.0572 0.1190 113 SER H OG 5411 N N . ALA D 119 ? 0.4143 0.8663 0.4875 -0.0763 -0.0706 0.0234 114 ALA H N 5412 C CA . ALA D 119 ? 0.4003 0.8462 0.4534 -0.0844 -0.0733 0.0059 114 ALA H CA 5413 C C . ALA D 119 ? 0.5226 0.9734 0.5605 -0.1082 -0.0826 -0.0207 114 ALA H C 5414 O O . ALA D 119 ? 0.5566 0.9946 0.5981 -0.1168 -0.0848 -0.0320 114 ALA H O 5415 C CB . ALA D 119 ? 0.3304 0.7218 0.3790 -0.0739 -0.0636 -0.0052 114 ALA H CB 5416 N N . SER D 120 ? 0.4933 0.9610 0.5136 -0.1194 -0.0862 -0.0310 115 SER H N 5417 C CA . SER D 120 ? 0.5999 1.0650 0.6023 -0.1430 -0.0905 -0.0594 115 SER H CA 5418 C C . SER D 120 ? 0.6051 1.0216 0.5956 -0.1410 -0.0827 -0.0807 115 SER H C 5419 O O . SER D 120 ? 0.5560 0.9526 0.5494 -0.1241 -0.0767 -0.0725 115 SER H O 5420 C CB . SER D 120 ? 0.6365 1.1588 0.6252 -0.1608 -0.0989 -0.0574 115 SER H CB 5421 O OG . SER D 120 ? 0.8066 1.3796 0.8092 -0.1626 -0.1067 -0.0351 115 SER H OG 5422 N N . THR D 121 ? 0.5523 0.9495 0.5309 -0.1584 -0.0812 -0.1075 116 THR H N 5423 C CA . THR D 121 ? 0.5618 0.9127 0.5330 -0.1556 -0.0723 -0.1261 116 THR H CA 5424 C C . THR D 121 ? 0.5103 0.8712 0.4684 -0.1534 -0.0700 -0.1254 116 THR H C 5425 O O . THR D 121 ? 0.4849 0.8845 0.4293 -0.1669 -0.0744 -0.1259 116 THR H O 5426 C CB . THR D 121 ? 0.5004 0.8312 0.4624 -0.1753 -0.0679 -0.1533 116 THR H CB 5427 O OG1 . THR D 121 ? 0.5728 0.8938 0.5480 -0.1761 -0.0695 -0.1523 116 THR H OG1 5428 C CG2 . THR D 121 ? 0.4737 0.7574 0.4322 -0.1701 -0.0567 -0.1693 116 THR H CG2 5429 N N . LYS D 122 ? 0.4596 0.7885 0.4218 -0.1369 -0.0632 -0.1231 117 LYS H N 5430 C CA . LYS D 122 ? 0.4713 0.8069 0.4229 -0.1330 -0.0600 -0.1213 117 LYS H CA 5431 C C . LYS D 122 ? 0.4904 0.7812 0.4448 -0.1224 -0.0509 -0.1303 117 LYS H C 5432 O O . LYS D 122 ? 0.4262 0.6926 0.3949 -0.1087 -0.0489 -0.1228 117 LYS H O 5433 C CB . LYS D 122 ? 0.3874 0.7542 0.3460 -0.1193 -0.0630 -0.0935 117 LYS H CB 5434 C CG . LYS D 122 ? 0.6204 0.9905 0.5695 -0.1133 -0.0582 -0.0902 117 LYS H CG 5435 C CD . LYS D 122 ? 0.6543 1.0486 0.6133 -0.0969 -0.0576 -0.0609 117 LYS H CD 5436 C CE . LYS D 122 ? 0.7468 1.1407 0.6964 -0.0909 -0.0515 -0.0585 117 LYS H CE 5437 N NZ . LYS D 122 ? 0.7456 1.0916 0.6947 -0.0864 -0.0434 -0.0754 117 LYS H NZ 5438 N N . GLY D 123 ? 0.5994 0.8816 0.5401 -0.1296 -0.0448 -0.1459 118 GLY H N 5439 C CA . GLY D 123 ? 0.4833 0.7284 0.4279 -0.1202 -0.0358 -0.1533 118 GLY H CA 5440 C C . GLY D 123 ? 0.4461 0.6919 0.3969 -0.1034 -0.0346 -0.1364 118 GLY H C 5441 O O . GLY D 123 ? 0.5566 0.8317 0.5050 -0.0996 -0.0382 -0.1204 118 GLY H O 5442 N N . PRO D 124 ? 0.4514 0.6662 0.4110 -0.0933 -0.0284 -0.1386 119 PRO H N 5443 C CA . PRO D 124 ? 0.5388 0.7508 0.5046 -0.0792 -0.0257 -0.1244 119 PRO H CA 5444 C C . PRO D 124 ? 0.5921 0.8110 0.5471 -0.0791 -0.0203 -0.1268 119 PRO H C 5445 O O . PRO D 124 ? 0.5439 0.7584 0.4886 -0.0880 -0.0160 -0.1425 119 PRO H O 5446 C CB . PRO D 124 ? 0.4986 0.6782 0.4775 -0.0723 -0.0222 -0.1277 119 PRO H CB 5447 C CG . PRO D 124 ? 0.3914 0.5558 0.3677 -0.0807 -0.0186 -0.1456 119 PRO H CG 5448 C CD . PRO D 124 ? 0.5128 0.6952 0.4789 -0.0943 -0.0229 -0.1525 119 PRO H CD 5449 N N . SER D 125 ? 0.5813 0.8096 0.5391 -0.0688 -0.0185 -0.1108 120 SER H N 5450 C CA . SER D 125 ? 0.5598 0.7871 0.5120 -0.0647 -0.0116 -0.1105 120 SER H CA 5451 C C . SER D 125 ? 0.5433 0.7416 0.5086 -0.0557 -0.0060 -0.1108 120 SER H C 5452 O O . SER D 125 ? 0.5830 0.7724 0.5595 -0.0495 -0.0067 -0.1017 120 SER H O 5453 C CB . SER D 125 ? 0.6382 0.8930 0.5867 -0.0586 -0.0112 -0.0914 120 SER H CB 5454 O OG . SER D 125 ? 0.8280 1.1164 0.7688 -0.0664 -0.0187 -0.0859 120 SER H OG 5455 N N . VAL D 126 ? 0.4820 0.6668 0.4460 -0.0563 0.0002 -0.1214 121 VAL H N 5456 C CA . VAL D 126 ? 0.5915 0.7548 0.5688 -0.0495 0.0047 -0.1211 121 VAL H CA 5457 C C . VAL D 126 ? 0.6276 0.7936 0.6022 -0.0447 0.0123 -0.1173 121 VAL H C 5458 O O . VAL D 126 ? 0.5171 0.6881 0.4817 -0.0481 0.0166 -0.1249 121 VAL H O 5459 C CB . VAL D 126 ? 0.5318 0.6765 0.5164 -0.0525 0.0062 -0.1339 121 VAL H CB 5460 C CG1 . VAL D 126 ? 0.5962 0.7437 0.5700 -0.0623 0.0063 -0.1469 121 VAL H CG1 5461 C CG2 . VAL D 126 ? 0.5003 0.6336 0.4929 -0.0479 0.0140 -0.1365 121 VAL H CG2 5462 N N . PHE D 127 ? 0.6064 0.7686 0.5888 -0.0379 0.0153 -0.1059 122 PHE H N 5463 C CA . PHE D 127 ? 0.5756 0.7387 0.5581 -0.0327 0.0236 -0.0994 122 PHE H CA 5464 C C . PHE D 127 ? 0.6003 0.7467 0.5957 -0.0315 0.0275 -0.1024 122 PHE H C 5465 O O . PHE D 127 ? 0.6214 0.7583 0.6258 -0.0329 0.0238 -0.1027 122 PHE H O 5466 C CB . PHE D 127 ? 0.3992 0.5706 0.3814 -0.0271 0.0269 -0.0829 122 PHE H CB 5467 C CG . PHE D 127 ? 0.5303 0.7252 0.5030 -0.0275 0.0222 -0.0751 122 PHE H CG 5468 C CD1 . PHE D 127 ? 0.5773 0.7915 0.5362 -0.0311 0.0214 -0.0780 122 PHE H CD1 5469 C CD2 . PHE D 127 ? 0.5416 0.7420 0.5189 -0.0253 0.0190 -0.0645 122 PHE H CD2 5470 C CE1 . PHE D 127 ? 0.5466 0.7895 0.4961 -0.0338 0.0157 -0.0698 122 PHE H CE1 5471 C CE2 . PHE D 127 ? 0.5425 0.7708 0.5134 -0.0259 0.0140 -0.0549 122 PHE H CE2 5472 C CZ . PHE D 127 ? 0.4973 0.7490 0.4541 -0.0308 0.0115 -0.0573 122 PHE H CZ 5473 N N . PRO D 128 ? 0.5318 0.6771 0.5283 -0.0296 0.0348 -0.1040 123 PRO H N 5474 C CA . PRO D 128 ? 0.5866 0.7220 0.5969 -0.0297 0.0379 -0.1053 123 PRO H CA 5475 C C . PRO D 128 ? 0.5834 0.7144 0.5976 -0.0295 0.0426 -0.0966 123 PRO H C 5476 O O . PRO D 128 ? 0.6794 0.8135 0.6872 -0.0261 0.0486 -0.0882 123 PRO H O 5477 C CB . PRO D 128 ? 0.5779 0.7155 0.5876 -0.0280 0.0453 -0.1097 123 PRO H CB 5478 C CG . PRO D 128 ? 0.5361 0.6843 0.5299 -0.0262 0.0486 -0.1060 123 PRO H CG 5479 C CD . PRO D 128 ? 0.5705 0.7262 0.5556 -0.0283 0.0405 -0.1041 123 PRO H CD 5480 N N . LEU D 129 ? 0.6153 0.7397 0.6402 -0.0338 0.0410 -0.0981 124 LEU H N 5481 C CA . LEU D 129 ? 0.6067 0.7250 0.6353 -0.0377 0.0479 -0.0938 124 LEU H CA 5482 C C . LEU D 129 ? 0.6139 0.7361 0.6520 -0.0402 0.0517 -0.0967 124 LEU H C 5483 O O . LEU D 129 ? 0.5723 0.6987 0.6211 -0.0446 0.0464 -0.0994 124 LEU H O 5484 C CB . LEU D 129 ? 0.5552 0.6669 0.5866 -0.0440 0.0432 -0.0941 124 LEU H CB 5485 C CG . LEU D 129 ? 0.6192 0.7274 0.6434 -0.0412 0.0401 -0.0904 124 LEU H CG 5486 C CD1 . LEU D 129 ? 0.4413 0.5420 0.4678 -0.0479 0.0360 -0.0917 124 LEU H CD1 5487 C CD2 . LEU D 129 ? 0.5459 0.6517 0.5640 -0.0359 0.0511 -0.0810 124 LEU H CD2 5488 N N . ALA D 130 ? 0.6268 0.7503 0.6619 -0.0368 0.0611 -0.0942 125 ALA H N 5489 C CA . ALA D 130 ? 0.5573 0.6868 0.6015 -0.0373 0.0650 -0.0967 125 ALA H CA 5490 C C . ALA D 130 ? 0.5996 0.7298 0.6539 -0.0467 0.0684 -0.0963 125 ALA H C 5491 O O . ALA D 130 ? 0.5795 0.7008 0.6290 -0.0521 0.0750 -0.0943 125 ALA H O 5492 C CB . ALA D 130 ? 0.6057 0.7368 0.6424 -0.0313 0.0746 -0.0941 125 ALA H CB 5493 N N . PRO D 131 ? 0.5302 0.6717 0.5986 -0.0498 0.0654 -0.0979 126 PRO H N 5494 C CA . PRO D 131 ? 0.5695 0.7179 0.6471 -0.0608 0.0692 -0.0973 126 PRO H CA 5495 C C . PRO D 131 ? 0.8721 1.0167 0.9474 -0.0605 0.0828 -0.0963 126 PRO H C 5496 O O . PRO D 131 ? 0.8793 1.0239 0.9524 -0.0508 0.0873 -0.0952 126 PRO H O 5497 C CB . PRO D 131 ? 0.5231 0.6905 0.6191 -0.0609 0.0622 -0.0957 126 PRO H CB 5498 C CG . PRO D 131 ? 0.3415 0.5059 0.4374 -0.0476 0.0628 -0.0964 126 PRO H CG 5499 C CD . PRO D 131 ? 0.4907 0.6403 0.5686 -0.0433 0.0604 -0.0992 126 PRO H CD 5500 N N . SER D 132 ? 1.0995 1.2402 1.1743 -0.0722 0.0907 -0.0972 127 SER H N 5501 C CA . SER D 132 ? 1.2154 1.3504 1.2890 -0.0733 0.1059 -0.0960 127 SER H CA 5502 C C . SER D 132 ? 1.1644 1.3047 1.2449 -0.0916 0.1110 -0.0998 127 SER H C 5503 O O . SER D 132 ? 0.9874 1.1446 1.0767 -0.1017 0.1006 -0.1017 127 SER H O 5504 C CB . SER D 132 ? 1.2154 1.3307 1.2745 -0.0661 0.1168 -0.0918 127 SER H CB 5505 O OG . SER D 132 ? 1.1483 1.2509 1.2010 -0.0731 0.1181 -0.0929 127 SER H OG 5506 N N . SER D 133 ? 1.3055 1.4329 1.3817 -0.0969 0.1280 -0.1003 128 SER H N 5507 C CA . SER D 133 ? 1.3469 1.4748 1.4254 -0.1181 0.1362 -0.1064 128 SER H CA 5508 C C . SER D 133 ? 1.3964 1.5063 1.4628 -0.1292 0.1404 -0.1111 128 SER H C 5509 O O . SER D 133 ? 1.3334 1.4484 1.3996 -0.1506 0.1422 -0.1187 128 SER H O 5510 C CB . SER D 133 ? 1.2709 1.3892 1.3503 -0.1203 0.1557 -0.1059 128 SER H CB 5511 O OG . SER D 133 ? 1.2602 1.3927 1.3491 -0.1083 0.1531 -0.1011 128 SER H OG 5512 N N . LYS D 134 ? 1.3949 1.4860 1.4511 -0.1163 0.1426 -0.1068 129 LYS H N 5513 C CA . LYS D 134 ? 1.2607 1.3335 1.3064 -0.1237 0.1472 -0.1099 129 LYS H CA 5514 C C . LYS D 134 ? 1.3203 1.4057 1.3659 -0.1244 0.1269 -0.1115 129 LYS H C 5515 O O . LYS D 134 ? 1.0645 1.1357 1.1013 -0.1292 0.1291 -0.1137 129 LYS H O 5516 C CB . LYS D 134 ? 0.9856 1.0346 1.0235 -0.1080 0.1611 -0.1011 129 LYS H CB 5517 C CG . LYS D 134 ? 0.7286 0.7498 0.7614 -0.1162 0.1887 -0.1018 129 LYS H CG 5518 N N . SER D 135 ? 1.5502 1.6604 1.6063 -0.1191 0.1093 -0.1097 130 SER H N 5519 C CA . SER D 135 ? 1.5928 1.7168 1.6516 -0.1196 0.0911 -0.1098 130 SER H CA 5520 C C . SER D 135 ? 1.6374 1.7915 1.7099 -0.1309 0.0802 -0.1104 130 SER H C 5521 O O . SER D 135 ? 1.6044 1.7750 1.6848 -0.1260 0.0652 -0.1066 130 SER H O 5522 C CB . SER D 135 ? 1.4695 1.5939 1.5293 -0.0993 0.0813 -0.1043 130 SER H CB 5523 O OG . SER D 135 ? 1.4264 1.5555 1.4914 -0.0880 0.0848 -0.1012 130 SER H OG 5524 N N . THR D 136 ? 1.6718 1.8347 1.7484 -0.1458 0.0884 -0.1137 131 THR H N 5525 C CA . THR D 136 ? 1.6179 1.8147 1.7077 -0.1605 0.0789 -0.1130 131 THR H CA 5526 C C . THR D 136 ? 1.6132 1.8102 1.6924 -0.1884 0.0856 -0.1223 131 THR H C 5527 O O . THR D 136 ? 1.6252 1.7924 1.6896 -0.1955 0.1027 -0.1300 131 THR H O 5528 C CB . THR D 136 ? 1.5479 1.7631 1.6542 -0.1566 0.0817 -0.1085 131 THR H CB 5529 O OG1 . THR D 136 ? 1.5437 1.7410 1.6432 -0.1636 0.1002 -0.1142 131 THR H OG1 5530 C CG2 . THR D 136 ? 1.4704 1.6845 1.5854 -0.1313 0.0772 -0.1011 131 THR H CG2 5531 N N . SER D 137 ? 1.5927 1.8245 1.6798 -0.2048 0.0733 -0.1210 132 SER H N 5532 C CA . SER D 137 ? 1.5479 1.7877 1.6245 -0.2362 0.0789 -0.1312 132 SER H CA 5533 C C . SER D 137 ? 1.5274 1.8098 1.6206 -0.2515 0.0739 -0.1279 132 SER H C 5534 O O . SER D 137 ? 1.4484 1.7267 1.5456 -0.2558 0.0868 -0.1313 132 SER H O 5535 C CB . SER D 137 ? 1.4405 1.6860 1.5058 -0.2473 0.0684 -0.1333 132 SER H CB 5536 O OG . SER D 137 ? 1.4008 1.6821 1.4823 -0.2383 0.0474 -0.1203 132 SER H OG 5537 N N . GLY D 138 ? 1.4838 1.8095 1.5883 -0.2594 0.0557 -0.1196 133 GLY H N 5538 C CA . GLY D 138 ? 1.3888 1.7627 1.5130 -0.2723 0.0491 -0.1124 133 GLY H CA 5539 C C . GLY D 138 ? 1.2366 1.6472 1.3878 -0.2521 0.0317 -0.0923 133 GLY H C 5540 O O . GLY D 138 ? 1.2484 1.6981 1.4073 -0.2610 0.0166 -0.0828 133 GLY H O 5541 N N . GLY D 139 ? 1.0482 1.4465 1.2140 -0.2249 0.0353 -0.0850 134 GLY H N 5542 C CA . GLY D 139 ? 1.0152 1.4378 1.2060 -0.2026 0.0240 -0.0669 134 GLY H CA 5543 C C . GLY D 139 ? 0.9963 1.3935 1.1813 -0.1813 0.0188 -0.0644 134 GLY H C 5544 O O . GLY D 139 ? 0.9566 1.3641 1.1613 -0.1602 0.0140 -0.0511 134 GLY H O 5545 N N . THR D 140 ? 0.9802 1.3442 1.1397 -0.1862 0.0212 -0.0765 135 THR H N 5546 C CA . THR D 140 ? 1.0480 1.3878 1.2008 -0.1681 0.0165 -0.0752 135 THR H CA 5547 C C . THR D 140 ? 0.8851 1.1779 1.0201 -0.1567 0.0289 -0.0861 135 THR H C 5548 O O . THR D 140 ? 0.8886 1.1608 1.0066 -0.1694 0.0400 -0.0972 135 THR H O 5549 C CB . THR D 140 ? 1.1774 1.5230 1.3173 -0.1823 0.0072 -0.0769 135 THR H CB 5550 O OG1 . THR D 140 ? 1.3031 1.6285 1.4190 -0.2039 0.0168 -0.0924 135 THR H OG1 5551 C CG2 . THR D 140 ? 1.1747 1.5730 1.3323 -0.1934 -0.0064 -0.0629 135 THR H CG2 5552 N N . ALA D 141 ? 0.7234 1.0005 0.8624 -0.1335 0.0283 -0.0824 136 ALA H N 5553 C CA . ALA D 141 ? 0.5922 0.8320 0.7153 -0.1217 0.0375 -0.0897 136 ALA H CA 5554 C C . ALA D 141 ? 0.5520 0.7754 0.6656 -0.1130 0.0307 -0.0903 136 ALA H C 5555 O O . ALA D 141 ? 0.4928 0.7309 0.6166 -0.1086 0.0202 -0.0835 136 ALA H O 5556 C CB . ALA D 141 ? 0.3474 0.5830 0.4797 -0.1044 0.0440 -0.0869 136 ALA H CB 5557 N N . ALA D 142 ? 0.5241 0.7183 0.6197 -0.1102 0.0377 -0.0969 137 ALA H N 5558 C CA . ALA D 142 ? 0.4849 0.6632 0.5713 -0.1018 0.0325 -0.0975 137 ALA H CA 5559 C C . ALA D 142 ? 0.4180 0.5807 0.5006 -0.0846 0.0367 -0.0977 137 ALA H C 5560 O O . ALA D 142 ? 0.5061 0.6597 0.5836 -0.0818 0.0471 -0.0992 137 ALA H O 5561 C CB . ALA D 142 ? 0.4189 0.5795 0.4883 -0.1131 0.0373 -0.1031 137 ALA H CB 5562 N N . LEU D 143 ? 0.4274 0.5881 0.5117 -0.0743 0.0293 -0.0963 138 LEU H N 5563 C CA . LEU D 143 ? 0.3557 0.5039 0.4331 -0.0616 0.0324 -0.0981 138 LEU H CA 5564 C C . LEU D 143 ? 0.4199 0.5607 0.4920 -0.0579 0.0247 -0.0990 138 LEU H C 5565 O O . LEU D 143 ? 0.4109 0.5565 0.4874 -0.0629 0.0174 -0.0972 138 LEU H O 5566 C CB . LEU D 143 ? 0.3719 0.5278 0.4601 -0.0529 0.0353 -0.0972 138 LEU H CB 5567 C CG . LEU D 143 ? 0.5825 0.7519 0.6892 -0.0495 0.0300 -0.0928 138 LEU H CG 5568 C CD1 . LEU D 143 ? 0.6013 0.7598 0.7052 -0.0402 0.0289 -0.0958 138 LEU H CD1 5569 C CD2 . LEU D 143 ? 0.3222 0.5062 0.4454 -0.0469 0.0360 -0.0886 138 LEU H CD2 5570 N N . GLY D 144 ? 0.4900 0.6212 0.5521 -0.0503 0.0264 -0.1012 139 GLY H N 5571 C CA . GLY D 144 ? 0.4670 0.5922 0.5240 -0.0485 0.0197 -0.1024 139 GLY H CA 5572 C C . GLY D 144 ? 0.4676 0.5888 0.5144 -0.0419 0.0211 -0.1052 139 GLY H C 5573 O O . GLY D 144 ? 0.4833 0.6068 0.5268 -0.0383 0.0270 -0.1065 139 GLY H O 5574 N N . CYS D 145 ? 0.4342 0.5515 0.4758 -0.0418 0.0153 -0.1062 140 CYS H N 5575 C CA A CYS D 145 ? 0.4466 0.5649 0.4772 -0.0389 0.0150 -0.1085 140 CYS H CA 5576 C CA B CYS D 145 ? 0.4383 0.5566 0.4689 -0.0389 0.0150 -0.1085 140 CYS H CA 5577 C C . CYS D 145 ? 0.5990 0.7156 0.6234 -0.0400 0.0117 -0.1040 140 CYS H C 5578 O O . CYS D 145 ? 0.6084 0.7198 0.6371 -0.0430 0.0073 -0.1032 140 CYS H O 5579 C CB A CYS D 145 ? 0.4332 0.5502 0.4655 -0.0384 0.0126 -0.1161 140 CYS H CB 5580 C CB B CYS D 145 ? 0.4035 0.5207 0.4356 -0.0383 0.0128 -0.1162 140 CYS H CB 5581 S SG A CYS D 145 ? 0.3679 0.4857 0.4032 -0.0354 0.0212 -0.1217 140 CYS H SG 5582 S SG B CYS D 145 ? 0.6875 0.7987 0.7335 -0.0394 0.0074 -0.1168 140 CYS H SG 5583 N N . LEU D 146 ? 0.4647 0.5877 0.4799 -0.0372 0.0144 -0.0994 141 LEU H N 5584 C CA . LEU D 146 ? 0.5214 0.6464 0.5329 -0.0363 0.0130 -0.0922 141 LEU H CA 5585 C C . LEU D 146 ? 0.5946 0.7300 0.6004 -0.0377 0.0057 -0.0959 141 LEU H C 5586 O O . LEU D 146 ? 0.5157 0.6634 0.5136 -0.0378 0.0061 -0.0978 141 LEU H O 5587 C CB . LEU D 146 ? 0.4330 0.5620 0.4411 -0.0313 0.0223 -0.0810 141 LEU H CB 5588 C CG . LEU D 146 ? 0.5091 0.6429 0.5162 -0.0274 0.0245 -0.0689 141 LEU H CG 5589 C CD1 . LEU D 146 ? 0.4353 0.5530 0.4476 -0.0302 0.0264 -0.0681 141 LEU H CD1 5590 C CD2 . LEU D 146 ? 0.5788 0.7177 0.5845 -0.0205 0.0363 -0.0560 141 LEU H CD2 5591 N N . VAL D 147 ? 0.5596 0.6909 0.5686 -0.0405 -0.0005 -0.0978 142 VAL H N 5592 C CA . VAL D 147 ? 0.5105 0.6498 0.5151 -0.0445 -0.0070 -0.1031 142 VAL H CA 5593 C C . VAL D 147 ? 0.5232 0.6746 0.5259 -0.0430 -0.0089 -0.0921 142 VAL H C 5594 O O . VAL D 147 ? 0.6550 0.7987 0.6635 -0.0422 -0.0098 -0.0875 142 VAL H O 5595 C CB . VAL D 147 ? 0.4662 0.5926 0.4776 -0.0480 -0.0111 -0.1113 142 VAL H CB 5596 C CG1 . VAL D 147 ? 0.4738 0.6057 0.4804 -0.0539 -0.0153 -0.1190 142 VAL H CG1 5597 C CG2 . VAL D 147 ? 0.3964 0.5133 0.4144 -0.0469 -0.0073 -0.1170 142 VAL H CG2 5598 N N . LYS D 148 ? 0.4988 0.6715 0.4941 -0.0424 -0.0089 -0.0865 143 LYS H N 5599 C CA . LYS D 148 ? 0.5383 0.7271 0.5351 -0.0375 -0.0076 -0.0699 143 LYS H CA 5600 C C . LYS D 148 ? 0.5810 0.7964 0.5727 -0.0433 -0.0159 -0.0685 143 LYS H C 5601 O O . LYS D 148 ? 0.4628 0.6910 0.4440 -0.0513 -0.0198 -0.0786 143 LYS H O 5602 C CB . LYS D 148 ? 0.5059 0.7030 0.5009 -0.0300 0.0012 -0.0578 143 LYS H CB 5603 C CG . LYS D 148 ? 0.6616 0.8609 0.6646 -0.0210 0.0095 -0.0383 143 LYS H CG 5604 C CD . LYS D 148 ? 0.6902 0.8962 0.6924 -0.0130 0.0204 -0.0254 143 LYS H CD 5605 C CE . LYS D 148 ? 0.7147 0.9197 0.7272 -0.0027 0.0328 -0.0045 143 LYS H CE 5606 N NZ . LYS D 148 ? 0.5945 0.8281 0.6113 0.0001 0.0273 0.0102 143 LYS H NZ 5607 N N . ASP D 149 ? 0.5080 0.7318 0.5071 -0.0405 -0.0173 -0.0564 144 ASP H N 5608 C CA . ASP D 149 ? 0.5025 0.7595 0.4999 -0.0447 -0.0244 -0.0485 144 ASP H CA 5609 C C . ASP D 149 ? 0.4627 0.7223 0.4534 -0.0588 -0.0335 -0.0669 144 ASP H C 5610 O O . ASP D 149 ? 0.7059 0.9858 0.6845 -0.0688 -0.0376 -0.0746 144 ASP H O 5611 C CB . ASP D 149 ? 0.4645 0.7545 0.4551 -0.0426 -0.0235 -0.0361 144 ASP H CB 5612 C CG . ASP D 149 ? 0.5808 0.8719 0.5811 -0.0276 -0.0124 -0.0134 144 ASP H CG 5613 O OD1 . ASP D 149 ? 0.6838 0.9571 0.6962 -0.0205 -0.0061 -0.0056 144 ASP H OD1 5614 O OD2 . ASP D 149 ? 0.6255 0.9340 0.6209 -0.0233 -0.0083 -0.0037 144 ASP H OD2 5615 N N . TYR D 150 ? 0.4841 0.7223 0.4818 -0.0604 -0.0351 -0.0737 145 TYR H N 5616 C CA . TYR D 150 ? 0.5209 0.7573 0.5146 -0.0731 -0.0410 -0.0900 145 TYR H CA 5617 C C . TYR D 150 ? 0.4468 0.6831 0.4503 -0.0736 -0.0447 -0.0847 145 TYR H C 5618 O O . TYR D 150 ? 0.4623 0.6883 0.4758 -0.0639 -0.0411 -0.0726 145 TYR H O 5619 C CB . TYR D 150 ? 0.4677 0.6724 0.4599 -0.0753 -0.0374 -0.1077 145 TYR H CB 5620 C CG . TYR D 150 ? 0.3924 0.5694 0.3956 -0.0670 -0.0343 -0.1049 145 TYR H CG 5621 C CD1 . TYR D 150 ? 0.3780 0.5440 0.3836 -0.0586 -0.0287 -0.0992 145 TYR H CD1 5622 C CD2 . TYR D 150 ? 0.4454 0.6087 0.4554 -0.0693 -0.0367 -0.1083 145 TYR H CD2 5623 C CE1 . TYR D 150 ? 0.4306 0.5752 0.4439 -0.0545 -0.0263 -0.0977 145 TYR H CE1 5624 C CE2 . TYR D 150 ? 0.3883 0.5301 0.4061 -0.0637 -0.0345 -0.1055 145 TYR H CE2 5625 C CZ . TYR D 150 ? 0.4290 0.5627 0.4477 -0.0572 -0.0296 -0.1007 145 TYR H CZ 5626 O OH . TYR D 150 ? 0.4640 0.5803 0.4883 -0.0550 -0.0278 -0.0989 145 TYR H OH 5627 N N . PHE D 151 ? 0.3424 0.5892 0.3421 -0.0864 -0.0502 -0.0949 146 PHE H N 5628 C CA . PHE D 151 ? 0.4040 0.6508 0.4126 -0.0891 -0.0538 -0.0925 146 PHE H CA 5629 C C . PHE D 151 ? 0.4821 0.7252 0.4842 -0.1052 -0.0562 -0.1123 146 PHE H C 5630 O O . PHE D 151 ? 0.6190 0.8777 0.6086 -0.1172 -0.0571 -0.1230 146 PHE H O 5631 C CB . PHE D 151 ? 0.3900 0.6733 0.4050 -0.0866 -0.0575 -0.0725 146 PHE H CB 5632 C CG . PHE D 151 ? 0.4434 0.7266 0.4696 -0.0877 -0.0599 -0.0677 146 PHE H CG 5633 C CD1 . PHE D 151 ? 0.4005 0.6623 0.4381 -0.0754 -0.0542 -0.0571 146 PHE H CD1 5634 C CD2 . PHE D 151 ? 0.3375 0.6413 0.3620 -0.1027 -0.0667 -0.0752 146 PHE H CD2 5635 C CE1 . PHE D 151 ? 0.4682 0.7288 0.5157 -0.0763 -0.0553 -0.0529 146 PHE H CE1 5636 C CE2 . PHE D 151 ? 0.3535 0.6571 0.3892 -0.1037 -0.0684 -0.0708 146 PHE H CE2 5637 C CZ . PHE D 151 ? 0.3207 0.6022 0.3682 -0.0897 -0.0627 -0.0591 146 PHE H CZ 5638 N N . PRO D 152 ? 0.5292 0.7501 0.5391 -0.1063 -0.0555 -0.1179 147 PRO H N 5639 C CA . PRO D 152 ? 0.4457 0.6451 0.4672 -0.0943 -0.0535 -0.1082 147 PRO H CA 5640 C C . PRO D 152 ? 0.4913 0.6581 0.5133 -0.0882 -0.0482 -0.1154 147 PRO H C 5641 O O . PRO D 152 ? 0.5631 0.7259 0.5786 -0.0891 -0.0452 -0.1233 147 PRO H O 5642 C CB . PRO D 152 ? 0.4070 0.6045 0.4346 -0.1016 -0.0561 -0.1116 147 PRO H CB 5643 C CG . PRO D 152 ? 0.4268 0.6219 0.4459 -0.1165 -0.0551 -0.1311 147 PRO H CG 5644 C CD . PRO D 152 ? 0.5440 0.7600 0.5505 -0.1216 -0.0556 -0.1348 147 PRO H CD 5645 N N . GLU D 153 ? 0.4856 0.6319 0.5156 -0.0828 -0.0468 -0.1119 148 GLU H N 5646 C CA . GLU D 153 ? 0.5198 0.6410 0.5523 -0.0782 -0.0431 -0.1162 148 GLU H CA 5647 C C . GLU D 153 ? 0.6065 0.7129 0.6412 -0.0843 -0.0410 -0.1287 148 GLU H C 5648 O O . GLU D 153 ? 0.7614 0.8724 0.7962 -0.0926 -0.0422 -0.1340 148 GLU H O 5649 C CB . GLU D 153 ? 0.4610 0.5705 0.4991 -0.0715 -0.0422 -0.1062 148 GLU H CB 5650 C CG . GLU D 153 ? 0.5991 0.7162 0.6358 -0.0652 -0.0395 -0.0945 148 GLU H CG 5651 C CD . GLU D 153 ? 0.8454 0.9466 0.8817 -0.0610 -0.0352 -0.0928 148 GLU H CD 5652 O OE1 . GLU D 153 ? 0.7916 0.8898 0.8260 -0.0606 -0.0346 -0.0984 148 GLU H OE1 5653 O OE2 . GLU D 153 ? 0.9296 1.0217 0.9671 -0.0594 -0.0318 -0.0865 148 GLU H OE2 5654 N N . PRO D 154 ? 0.5804 0.6698 0.6183 -0.0803 -0.0364 -0.1325 149 PRO H N 5655 C CA . PRO D 154 ? 0.5166 0.6037 0.5547 -0.0728 -0.0348 -0.1275 149 PRO H CA 5656 C C . PRO D 154 ? 0.4378 0.5275 0.4707 -0.0739 -0.0303 -0.1356 149 PRO H C 5657 O O . PRO D 154 ? 0.5470 0.6382 0.5748 -0.0817 -0.0273 -0.1465 149 PRO H O 5658 C CB . PRO D 154 ? 0.4223 0.4933 0.4700 -0.0685 -0.0331 -0.1245 149 PRO H CB 5659 C CG . PRO D 154 ? 0.3566 0.4171 0.4086 -0.0730 -0.0284 -0.1336 149 PRO H CG 5660 C CD . PRO D 154 ? 0.4012 0.4720 0.4463 -0.0819 -0.0314 -0.1389 149 PRO H CD 5661 N N . VAL D 155 ? 0.4176 0.5075 0.4510 -0.0676 -0.0287 -0.1311 150 VAL H N 5662 C CA . VAL D 155 ? 0.4797 0.5664 0.5124 -0.0664 -0.0225 -0.1374 150 VAL H CA 5663 C C . VAL D 155 ? 0.5196 0.5938 0.5650 -0.0602 -0.0194 -0.1335 150 VAL H C 5664 O O . VAL D 155 ? 0.6055 0.6785 0.6565 -0.0575 -0.0235 -0.1247 150 VAL H O 5665 C CB . VAL D 155 ? 0.5553 0.6545 0.5803 -0.0640 -0.0223 -0.1341 150 VAL H CB 5666 C CG1 . VAL D 155 ? 0.6512 0.7690 0.6650 -0.0693 -0.0255 -0.1344 150 VAL H CG1 5667 C CG2 . VAL D 155 ? 0.5233 0.6222 0.5527 -0.0579 -0.0240 -0.1229 150 VAL H CG2 5668 N N . THR D 156 ? 0.5291 0.5956 0.5792 -0.0586 -0.0112 -0.1392 151 THR H N 5669 C CA . THR D 156 ? 0.3518 0.4122 0.4170 -0.0514 -0.0071 -0.1324 151 THR H CA 5670 C C . THR D 156 ? 0.5798 0.6454 0.6455 -0.0476 -0.0026 -0.1322 151 THR H C 5671 O O . THR D 156 ? 0.7221 0.7863 0.7794 -0.0503 0.0035 -0.1417 151 THR H O 5672 C CB . THR D 156 ? 0.6613 0.7061 0.7370 -0.0502 0.0023 -0.1361 151 THR H CB 5673 O OG1 . THR D 156 ? 0.8039 0.8404 0.8738 -0.0540 0.0135 -0.1492 151 THR H OG1 5674 C CG2 . THR D 156 ? 0.6713 0.7103 0.7457 -0.0550 -0.0012 -0.1374 151 THR H CG2 5675 N N . VAL D 157 ? 0.5420 0.6149 0.6163 -0.0430 -0.0055 -0.1219 152 VAL H N 5676 C CA . VAL D 157 ? 0.5216 0.6012 0.5985 -0.0397 -0.0015 -0.1203 152 VAL H CA 5677 C C . VAL D 157 ? 0.5982 0.6804 0.6951 -0.0331 0.0026 -0.1110 152 VAL H C 5678 O O . VAL D 157 ? 0.6072 0.6947 0.7134 -0.0323 -0.0027 -0.1013 152 VAL H O 5679 C CB . VAL D 157 ? 0.5291 0.6193 0.5978 -0.0420 -0.0075 -0.1161 152 VAL H CB 5680 C CG1 . VAL D 157 ? 0.4202 0.5170 0.4931 -0.0390 -0.0024 -0.1145 152 VAL H CG1 5681 C CG2 . VAL D 157 ? 0.5115 0.6025 0.5639 -0.0459 -0.0099 -0.1210 152 VAL H CG2 5682 N N . SER D 158 ? 0.5202 0.6007 0.6243 -0.0285 0.0127 -0.1128 153 SER H N 5683 C CA . SER D 158 ? 0.5080 0.5977 0.6332 -0.0211 0.0169 -0.1008 153 SER H CA 5684 C C . SER D 158 ? 0.5545 0.6511 0.6789 -0.0197 0.0216 -0.1024 153 SER H C 5685 O O . SER D 158 ? 0.5400 0.6319 0.6475 -0.0237 0.0230 -0.1130 153 SER H O 5686 C CB . SER D 158 ? 0.4011 0.4787 0.5433 -0.0136 0.0295 -0.0979 153 SER H CB 5687 O OG . SER D 158 ? 0.7758 0.8368 0.9120 -0.0135 0.0434 -0.1110 153 SER H OG 5688 N N . TRP D 159 ? 0.4460 0.5567 0.5898 -0.0141 0.0241 -0.0903 154 TRP H N 5689 C CA . TRP D 159 ? 0.4873 0.6059 0.6346 -0.0121 0.0298 -0.0900 154 TRP H CA 5690 C C . TRP D 159 ? 0.4823 0.5991 0.6523 -0.0015 0.0443 -0.0832 154 TRP H C 5691 O O . TRP D 159 ? 0.4138 0.5396 0.6053 0.0048 0.0452 -0.0689 154 TRP H O 5692 C CB . TRP D 159 ? 0.4871 0.6282 0.6369 -0.0172 0.0198 -0.0813 154 TRP H CB 5693 C CG . TRP D 159 ? 0.4467 0.5843 0.5739 -0.0263 0.0120 -0.0893 154 TRP H CG 5694 C CD1 . TRP D 159 ? 0.4426 0.5782 0.5598 -0.0325 0.0029 -0.0896 154 TRP H CD1 5695 C CD2 . TRP D 159 ? 0.4337 0.5685 0.5467 -0.0291 0.0148 -0.0966 154 TRP H CD2 5696 N NE1 . TRP D 159 ? 0.3114 0.4425 0.4107 -0.0382 0.0011 -0.0960 154 TRP H NE1 5697 C CE2 . TRP D 159 ? 0.3470 0.4782 0.4436 -0.0359 0.0081 -0.0997 154 TRP H CE2 5698 C CE3 . TRP D 159 ? 0.4627 0.5977 0.5760 -0.0258 0.0237 -0.0997 154 TRP H CE3 5699 C CZ2 . TRP D 159 ? 0.4049 0.5333 0.4871 -0.0385 0.0106 -0.1039 154 TRP H CZ2 5700 C CZ3 . TRP D 159 ? 0.5837 0.7166 0.6808 -0.0294 0.0246 -0.1049 154 TRP H CZ3 5701 C CH2 . TRP D 159 ? 0.5887 0.7187 0.6712 -0.0351 0.0184 -0.1060 154 TRP H CH2 5702 N N . ASN D 160 ? 0.4796 0.5850 0.6451 0.0008 0.0571 -0.0926 155 ASN H N 5703 C CA . ASN D 160 ? 0.3810 0.4805 0.5673 0.0112 0.0753 -0.0876 155 ASN H CA 5704 C C . ASN D 160 ? 0.5963 0.6811 0.7969 0.0176 0.0851 -0.0833 155 ASN H C 5705 O O . ASN D 160 ? 0.4439 0.5346 0.6727 0.0290 0.0957 -0.0674 155 ASN H O 5706 C CB . ASN D 160 ? 0.3719 0.4982 0.5818 0.0171 0.0744 -0.0702 155 ASN H CB 5707 C CG . ASN D 160 ? 0.5976 0.7328 0.7952 0.0116 0.0710 -0.0761 155 ASN H CG 5708 O OD1 . ASN D 160 ? 0.5629 0.6834 0.7358 0.0057 0.0719 -0.0919 155 ASN H OD1 5709 N ND2 . ASN D 160 ? 0.4912 0.6528 0.7064 0.0130 0.0675 -0.0624 155 ASN H ND2 5710 N N . SER D 161 ? 0.4426 0.5095 0.6251 0.0106 0.0824 -0.0960 156 SER H N 5711 C CA . SER D 161 ? 0.5645 0.6115 0.7565 0.0145 0.0942 -0.0958 156 SER H CA 5712 C C . SER D 161 ? 0.5953 0.6587 0.8151 0.0243 0.0907 -0.0721 156 SER H C 5713 O O . SER D 161 ? 0.7011 0.7548 0.9438 0.0351 0.1076 -0.0620 156 SER H O 5714 C CB . SER D 161 ? 0.5715 0.5930 0.7685 0.0189 0.1207 -0.1049 156 SER H CB 5715 O OG . SER D 161 ? 0.7016 0.7146 0.8729 0.0093 0.1235 -0.1247 156 SER H OG 5716 N N . GLY D 162 ? 0.5327 0.6218 0.7505 0.0201 0.0699 -0.0624 157 GLY H N 5717 C CA . GLY D 162 ? 0.5148 0.6257 0.7545 0.0261 0.0632 -0.0400 157 GLY H CA 5718 C C . GLY D 162 ? 0.5534 0.6960 0.8187 0.0337 0.0631 -0.0192 157 GLY H C 5719 O O . GLY D 162 ? 0.5871 0.7563 0.8694 0.0365 0.0549 0.0013 157 GLY H O 5720 N N . ALA D 163 ? 0.4380 0.5815 0.7065 0.0363 0.0719 -0.0228 158 ALA H N 5721 C CA . ALA D 163 ? 0.5546 0.7308 0.8495 0.0432 0.0726 -0.0023 158 ALA H CA 5722 C C . ALA D 163 ? 0.6743 0.8827 0.9603 0.0309 0.0517 0.0007 158 ALA H C 5723 O O . ALA D 163 ? 0.7117 0.9542 1.0189 0.0331 0.0489 0.0185 158 ALA H O 5724 C CB . ALA D 163 ? 0.5059 0.6703 0.8084 0.0504 0.0915 -0.0075 158 ALA H CB 5725 N N . LEU D 164 ? 0.6644 0.8631 0.9204 0.0174 0.0387 -0.0158 159 LEU H N 5726 C CA . LEU D 164 ? 0.5171 0.7377 0.7604 0.0039 0.0231 -0.0173 159 LEU H CA 5727 C C . LEU D 164 ? 0.5677 0.7855 0.7931 -0.0061 0.0096 -0.0213 159 LEU H C 5728 O O . LEU D 164 ? 0.7021 0.8946 0.9042 -0.0109 0.0083 -0.0379 159 LEU H O 5729 C CB . LEU D 164 ? 0.4552 0.6620 0.6792 -0.0014 0.0262 -0.0346 159 LEU H CB 5730 C CG . LEU D 164 ? 0.4917 0.7118 0.6994 -0.0160 0.0144 -0.0395 159 LEU H CG 5731 C CD1 . LEU D 164 ? 0.4447 0.7036 0.6715 -0.0208 0.0080 -0.0228 159 LEU H CD1 5732 C CD2 . LEU D 164 ? 0.3464 0.5516 0.5383 -0.0180 0.0207 -0.0536 159 LEU H CD2 5733 N N . THR D 165 ? 0.6608 0.9069 0.8976 -0.0095 -0.0001 -0.0049 160 THR H N 5734 C CA . THR D 165 ? 0.6585 0.9050 0.8785 -0.0202 -0.0125 -0.0075 160 THR H CA 5735 C C . THR D 165 ? 0.5535 0.8282 0.7649 -0.0370 -0.0247 -0.0052 160 THR H C 5736 O O . THR D 165 ? 0.6997 0.9640 0.8878 -0.0492 -0.0314 -0.0165 160 THR H O 5737 C CB . THR D 165 ? 0.7830 1.0356 1.0190 -0.0121 -0.0126 0.0084 160 THR H CB 5738 O OG1 . THR D 165 ? 0.7931 1.0879 1.0531 -0.0107 -0.0169 0.0321 160 THR H OG1 5739 C CG2 . THR D 165 ? 0.8744 1.0988 1.1221 0.0036 0.0036 0.0068 160 THR H CG2 5740 N N . SER D 166 ? 0.5671 0.8774 0.7969 -0.0389 -0.0266 0.0089 161 SER H N 5741 C CA . SER D 166 ? 0.5827 0.9218 0.8034 -0.0583 -0.0370 0.0096 161 SER H CA 5742 C C . SER D 166 ? 0.5226 0.8397 0.7189 -0.0694 -0.0344 -0.0116 161 SER H C 5743 O O . SER D 166 ? 0.5414 0.8447 0.7398 -0.0623 -0.0256 -0.0184 161 SER H O 5744 C CB . SER D 166 ? 0.5987 0.9833 0.8465 -0.0580 -0.0385 0.0294 161 SER H CB 5745 O OG . SER D 166 ? 0.6907 1.1043 0.9281 -0.0803 -0.0476 0.0274 161 SER H OG 5746 N N . GLY D 167 ? 0.3809 0.6941 0.5542 -0.0865 -0.0404 -0.0213 162 GLY H N 5747 C CA . GLY D 167 ? 0.4900 0.7814 0.6413 -0.0966 -0.0355 -0.0391 162 GLY H CA 5748 C C . GLY D 167 ? 0.5796 0.8301 0.7142 -0.0886 -0.0298 -0.0526 162 GLY H C 5749 O O . GLY D 167 ? 0.5755 0.8079 0.6944 -0.0938 -0.0239 -0.0645 162 GLY H O 5750 N N . VAL D 168 ? 0.2980 0.5349 0.4360 -0.0766 -0.0307 -0.0502 163 VAL H N 5751 C CA . VAL D 168 ? 0.3164 0.5201 0.4404 -0.0697 -0.0262 -0.0618 163 VAL H CA 5752 C C . VAL D 168 ? 0.3690 0.5613 0.4744 -0.0796 -0.0302 -0.0674 163 VAL H C 5753 O O . VAL D 168 ? 0.4308 0.6358 0.5373 -0.0858 -0.0369 -0.0608 163 VAL H O 5754 C CB . VAL D 168 ? 0.4364 0.6302 0.5728 -0.0543 -0.0232 -0.0583 163 VAL H CB 5755 C CG1 . VAL D 168 ? 0.2990 0.4641 0.4195 -0.0509 -0.0205 -0.0704 163 VAL H CG1 5756 C CG2 . VAL D 168 ? 0.3003 0.5002 0.4541 -0.0441 -0.0153 -0.0543 163 VAL H CG2 5757 N N . HIS D 169 ? 0.4326 0.6023 0.5215 -0.0806 -0.0251 -0.0782 164 HIS H N 5758 C CA . HIS D 169 ? 0.4732 0.6279 0.5459 -0.0871 -0.0257 -0.0831 164 HIS H CA 5759 C C . HIS D 169 ? 0.4407 0.5737 0.5064 -0.0776 -0.0217 -0.0890 164 HIS H C 5760 O O . HIS D 169 ? 0.5135 0.6394 0.5743 -0.0749 -0.0152 -0.0932 164 HIS H O 5761 C CB . HIS D 169 ? 0.4466 0.5998 0.5058 -0.1024 -0.0209 -0.0882 164 HIS H CB 5762 C CG . HIS D 169 ? 0.4693 0.6465 0.5304 -0.1173 -0.0259 -0.0841 164 HIS H CG 5763 N ND1 . HIS D 169 ? 0.5220 0.7156 0.5857 -0.1275 -0.0234 -0.0846 164 HIS H ND1 5764 C CD2 . HIS D 169 ? 0.3465 0.5372 0.4067 -0.1253 -0.0336 -0.0789 164 HIS H CD2 5765 C CE1 . HIS D 169 ? 0.5425 0.7612 0.6066 -0.1422 -0.0300 -0.0800 164 HIS H CE1 5766 N NE2 . HIS D 169 ? 0.4186 0.6363 0.4800 -0.1409 -0.0363 -0.0761 164 HIS H NE2 5767 N N . THR D 170 ? 0.4390 0.5639 0.5040 -0.0734 -0.0254 -0.0886 165 THR H N 5768 C CA . THR D 170 ? 0.3544 0.4638 0.4122 -0.0671 -0.0229 -0.0935 165 THR H CA 5769 C C . THR D 170 ? 0.4052 0.5045 0.4515 -0.0729 -0.0222 -0.0944 165 THR H C 5770 O O . THR D 170 ? 0.4803 0.5802 0.5263 -0.0775 -0.0265 -0.0919 165 THR H O 5771 C CB . THR D 170 ? 0.5210 0.6278 0.5871 -0.0591 -0.0254 -0.0937 165 THR H CB 5772 O OG1 . THR D 170 ? 0.6283 0.7409 0.7047 -0.0533 -0.0221 -0.0936 165 THR H OG1 5773 C CG2 . THR D 170 ? 0.3631 0.4590 0.4203 -0.0563 -0.0242 -0.0992 165 THR H CG2 5774 N N . PHE D 171 ? 0.3622 0.4526 0.3998 -0.0721 -0.0155 -0.0965 166 PHE H N 5775 C CA . PHE D 171 ? 0.4409 0.5204 0.4694 -0.0771 -0.0112 -0.0960 166 PHE H CA 5776 C C . PHE D 171 ? 0.4959 0.5702 0.5242 -0.0714 -0.0143 -0.0947 166 PHE H C 5777 O O . PHE D 171 ? 0.6178 0.6964 0.6502 -0.0645 -0.0178 -0.0957 166 PHE H O 5778 C CB . PHE D 171 ? 0.3943 0.4657 0.4160 -0.0780 0.0007 -0.0960 166 PHE H CB 5779 C CG . PHE D 171 ? 0.4173 0.4917 0.4375 -0.0870 0.0056 -0.0985 166 PHE H CG 5780 C CD1 . PHE D 171 ? 0.3428 0.4130 0.3557 -0.1008 0.0098 -0.1013 166 PHE H CD1 5781 C CD2 . PHE D 171 ? 0.4277 0.5106 0.4532 -0.0833 0.0063 -0.0989 166 PHE H CD2 5782 C CE1 . PHE D 171 ? 0.4587 0.5346 0.4696 -0.1122 0.0142 -0.1047 166 PHE H CE1 5783 C CE2 . PHE D 171 ? 0.4343 0.5222 0.4597 -0.0926 0.0107 -0.1011 166 PHE H CE2 5784 C CZ . PHE D 171 ? 0.3774 0.4628 0.3956 -0.1077 0.0144 -0.1042 166 PHE H CZ 5785 N N . PRO D 172 ? 0.4996 0.5653 0.5228 -0.0756 -0.0123 -0.0933 167 PRO H N 5786 C CA . PRO D 172 ? 0.4136 0.4759 0.4376 -0.0706 -0.0140 -0.0912 167 PRO H CA 5787 C C . PRO D 172 ? 0.4770 0.5411 0.5004 -0.0635 -0.0084 -0.0877 167 PRO H C 5788 O O . PRO D 172 ? 0.4932 0.5541 0.5135 -0.0629 0.0010 -0.0853 167 PRO H O 5789 C CB . PRO D 172 ? 0.3125 0.3640 0.3305 -0.0772 -0.0097 -0.0899 167 PRO H CB 5790 C CG . PRO D 172 ? 0.4020 0.4549 0.4155 -0.0879 -0.0096 -0.0928 167 PRO H CG 5791 C CD . PRO D 172 ? 0.4431 0.5029 0.4588 -0.0870 -0.0077 -0.0944 167 PRO H CD 5792 N N . ALA D 173 ? 0.4445 0.5159 0.4711 -0.0588 -0.0137 -0.0866 168 ALA H N 5793 C CA . ALA D 173 ? 0.4212 0.5020 0.4478 -0.0529 -0.0103 -0.0808 168 ALA H CA 5794 C C . ALA D 173 ? 0.4732 0.5474 0.4996 -0.0505 0.0000 -0.0714 168 ALA H C 5795 O O . ALA D 173 ? 0.5811 0.6451 0.6073 -0.0536 0.0018 -0.0709 168 ALA H O 5796 C CB . ALA D 173 ? 0.4760 0.5693 0.5050 -0.0522 -0.0189 -0.0828 168 ALA H CB 5797 N N . VAL D 174 ? 0.5108 0.5904 0.5377 -0.0444 0.0086 -0.0630 169 VAL H N 5798 C CA . VAL D 174 ? 0.5612 0.6368 0.5915 -0.0390 0.0212 -0.0505 169 VAL H CA 5799 C C . VAL D 174 ? 0.6113 0.7117 0.6479 -0.0319 0.0164 -0.0397 169 VAL H C 5800 O O . VAL D 174 ? 0.5286 0.6478 0.5635 -0.0312 0.0084 -0.0412 169 VAL H O 5801 C CB . VAL D 174 ? 0.5670 0.6299 0.5957 -0.0364 0.0385 -0.0453 169 VAL H CB 5802 C CG1 . VAL D 174 ? 0.6315 0.6746 0.6527 -0.0471 0.0422 -0.0574 169 VAL H CG1 5803 C CG2 . VAL D 174 ? 0.6502 0.7293 0.6798 -0.0300 0.0384 -0.0400 169 VAL H CG2 5804 N N . LEU D 175 ? 0.4873 0.5898 0.5307 -0.0279 0.0217 -0.0288 170 LEU H N 5805 C CA . LEU D 175 ? 0.3412 0.4727 0.3927 -0.0219 0.0178 -0.0151 170 LEU H CA 5806 C C . LEU D 175 ? 0.4799 0.6195 0.5372 -0.0109 0.0322 0.0032 170 LEU H C 5807 O O . LEU D 175 ? 0.6905 0.8130 0.7536 -0.0049 0.0498 0.0135 170 LEU H O 5808 C CB . LEU D 175 ? 0.3838 0.5161 0.4426 -0.0221 0.0171 -0.0101 170 LEU H CB 5809 C CG . LEU D 175 ? 0.5909 0.7587 0.6592 -0.0190 0.0099 0.0028 170 LEU H CG 5810 C CD1 . LEU D 175 ? 0.4815 0.6743 0.5431 -0.0263 -0.0064 -0.0065 170 LEU H CD1 5811 C CD2 . LEU D 175 ? 0.4914 0.6559 0.5662 -0.0217 0.0079 0.0034 170 LEU H CD2 5812 N N . GLN D 176 ? 0.4661 0.6297 0.5215 -0.0084 0.0268 0.0073 171 GLN H N 5813 C CA . GLN D 176 ? 0.4917 0.6680 0.5539 0.0033 0.0400 0.0280 171 GLN H CA 5814 C C . GLN D 176 ? 0.5555 0.7592 0.6323 0.0120 0.0427 0.0509 171 GLN H C 5815 O O . GLN D 176 ? 0.5939 0.8148 0.6734 0.0069 0.0303 0.0491 171 GLN H O 5816 C CB . GLN D 176 ? 0.4989 0.6973 0.5538 0.0028 0.0324 0.0267 171 GLN H CB 5817 C CG . GLN D 176 ? 0.4713 0.6482 0.5144 -0.0047 0.0296 0.0063 171 GLN H CG 5818 C CD . GLN D 176 ? 0.7262 0.9272 0.7614 -0.0065 0.0207 0.0035 171 GLN H CD 5819 O OE1 . GLN D 176 ? 0.8395 1.0410 0.8730 -0.0011 0.0293 0.0097 171 GLN H OE1 5820 N NE2 . GLN D 176 ? 0.8125 1.0328 0.8420 -0.0150 0.0051 -0.0061 171 GLN H NE2 5821 N N . SER D 177 ? 0.6425 0.8521 0.7301 0.0255 0.0602 0.0742 172 SER H N 5822 C CA . SER D 177 ? 0.7360 0.9740 0.8417 0.0365 0.0660 0.1012 172 SER H CA 5823 C C . SER D 177 ? 0.6987 0.9912 0.8057 0.0338 0.0464 0.1102 172 SER H C 5824 O O . SER D 177 ? 0.6661 0.9908 0.7889 0.0406 0.0471 0.1326 172 SER H O 5825 C CB . SER D 177 ? 0.7823 1.0133 0.9012 0.0532 0.0923 0.1264 172 SER H CB 5826 O OG . SER D 177 ? 1.0370 1.2752 1.1490 0.0558 0.0936 0.1283 172 SER H OG 5827 N N . SER D 178 ? 0.6366 0.9413 0.7276 0.0230 0.0303 0.0934 173 SER H N 5828 C CA . SER D 178 ? 0.4637 0.8180 0.5505 0.0153 0.0119 0.0962 173 SER H CA 5829 C C . SER D 178 ? 0.5503 0.9092 0.6318 -0.0002 -0.0051 0.0772 173 SER H C 5830 O O . SER D 178 ? 0.5666 0.9647 0.6424 -0.0108 -0.0200 0.0752 173 SER H O 5831 C CB . SER D 178 ? 0.5329 0.8940 0.6030 0.0098 0.0059 0.0854 173 SER H CB 5832 O OG . SER D 178 ? 0.5842 0.9044 0.6410 0.0009 0.0036 0.0565 173 SER H OG 5833 N N . GLY D 179 ? 0.4020 0.7222 0.4840 -0.0030 -0.0023 0.0626 174 GLY H N 5834 C CA . GLY D 179 ? 0.4593 0.7775 0.5362 -0.0170 -0.0161 0.0436 174 GLY H CA 5835 C C . GLY D 179 ? 0.5988 0.8938 0.6587 -0.0291 -0.0244 0.0150 174 GLY H C 5836 O O . GLY D 179 ? 0.6704 0.9532 0.7271 -0.0391 -0.0319 -0.0015 174 GLY H O 5837 N N . LEU D 180 ? 0.5009 0.7893 0.5512 -0.0276 -0.0217 0.0100 175 LEU H N 5838 C CA . LEU D 180 ? 0.5120 0.7815 0.5485 -0.0373 -0.0276 -0.0143 175 LEU H CA 5839 C C . LEU D 180 ? 0.4952 0.7222 0.5313 -0.0332 -0.0190 -0.0227 175 LEU H C 5840 O O . LEU D 180 ? 0.4345 0.6476 0.4770 -0.0237 -0.0066 -0.0110 175 LEU H O 5841 C CB . LEU D 180 ? 0.3298 0.6216 0.3555 -0.0398 -0.0303 -0.0150 175 LEU H CB 5842 C CG . LEU D 180 ? 0.5257 0.8669 0.5491 -0.0462 -0.0391 -0.0052 175 LEU H CG 5843 C CD1 . LEU D 180 ? 0.3468 0.7108 0.3580 -0.0480 -0.0399 -0.0036 175 LEU H CD1 5844 C CD2 . LEU D 180 ? 0.3389 0.6875 0.3570 -0.0628 -0.0503 -0.0223 175 LEU H CD2 5845 N N . TYR D 181 ? 0.4258 0.6333 0.4549 -0.0413 -0.0243 -0.0429 176 TYR H N 5846 C CA . TYR D 181 ? 0.3572 0.5317 0.3858 -0.0398 -0.0186 -0.0509 176 TYR H CA 5847 C C . TYR D 181 ? 0.4810 0.6515 0.5030 -0.0387 -0.0155 -0.0561 176 TYR H C 5848 O O . TYR D 181 ? 0.5269 0.7162 0.5427 -0.0409 -0.0191 -0.0582 176 TYR H O 5849 C CB . TYR D 181 ? 0.4184 0.5758 0.4465 -0.0473 -0.0250 -0.0659 176 TYR H CB 5850 C CG . TYR D 181 ? 0.4723 0.6281 0.5069 -0.0486 -0.0269 -0.0620 176 TYR H CG 5851 C CD1 . TYR D 181 ? 0.4840 0.6191 0.5224 -0.0458 -0.0203 -0.0582 176 TYR H CD1 5852 C CD2 . TYR D 181 ? 0.4179 0.5931 0.4539 -0.0545 -0.0346 -0.0633 176 TYR H CD2 5853 C CE1 . TYR D 181 ? 0.4176 0.5502 0.4614 -0.0469 -0.0211 -0.0548 176 TYR H CE1 5854 C CE2 . TYR D 181 ? 0.5242 0.6983 0.5671 -0.0558 -0.0359 -0.0596 176 TYR H CE2 5855 C CZ . TYR D 181 ? 0.5948 0.7470 0.6419 -0.0511 -0.0291 -0.0549 176 TYR H CZ 5856 O OH . TYR D 181 ? 0.6170 0.7674 0.6707 -0.0523 -0.0294 -0.0512 176 TYR H OH 5857 N N . SER D 182 ? 0.5964 0.7434 0.6193 -0.0366 -0.0083 -0.0585 177 SER H N 5858 C CA . SER D 182 ? 0.6296 0.7703 0.6481 -0.0371 -0.0061 -0.0658 177 SER H CA 5859 C C . SER D 182 ? 0.5234 0.6404 0.5438 -0.0400 -0.0030 -0.0724 177 SER H C 5860 O O . SER D 182 ? 0.4804 0.5853 0.5034 -0.0409 0.0007 -0.0694 177 SER H O 5861 C CB . SER D 182 ? 0.6313 0.7815 0.6483 -0.0303 0.0027 -0.0545 177 SER H CB 5862 O OG . SER D 182 ? 0.7163 0.8534 0.7383 -0.0251 0.0151 -0.0438 177 SER H OG 5863 N N . LEU D 183 ? 0.5761 0.6889 0.5951 -0.0422 -0.0041 -0.0810 178 LEU H N 5864 C CA . LEU D 183 ? 0.5815 0.6795 0.6030 -0.0463 -0.0024 -0.0859 178 LEU H CA 5865 C C . LEU D 183 ? 0.5439 0.6432 0.5654 -0.0461 0.0005 -0.0896 178 LEU H C 5866 O O . LEU D 183 ? 0.5365 0.6453 0.5550 -0.0425 0.0021 -0.0889 178 LEU H O 5867 C CB . LEU D 183 ? 0.6178 0.7116 0.6430 -0.0505 -0.0109 -0.0923 178 LEU H CB 5868 C CG . LEU D 183 ? 0.5151 0.6134 0.5428 -0.0510 -0.0172 -0.1001 178 LEU H CG 5869 C CD1 . LEU D 183 ? 0.4837 0.5820 0.5151 -0.0504 -0.0154 -0.1042 178 LEU H CD1 5870 C CD2 . LEU D 183 ? 0.4479 0.5398 0.4802 -0.0538 -0.0226 -0.1021 178 LEU H CD2 5871 N N . SER D 184 ? 0.5595 0.6519 0.5844 -0.0509 0.0008 -0.0932 179 SER H N 5872 C CA . SER D 184 ? 0.5553 0.6503 0.5828 -0.0517 0.0036 -0.0958 179 SER H CA 5873 C C . SER D 184 ? 0.5765 0.6736 0.6119 -0.0558 -0.0026 -0.0995 179 SER H C 5874 O O . SER D 184 ? 0.5680 0.6621 0.6046 -0.0607 -0.0062 -0.0987 179 SER H O 5875 C CB . SER D 184 ? 0.5573 0.6459 0.5820 -0.0548 0.0144 -0.0926 179 SER H CB 5876 O OG . SER D 184 ? 0.8740 0.9638 0.8946 -0.0482 0.0222 -0.0866 179 SER H OG 5877 N N . SER D 185 ? 0.4034 0.5070 0.4450 -0.0531 -0.0029 -0.1019 180 SER H N 5878 C CA . SER D 185 ? 0.3395 0.4494 0.3924 -0.0550 -0.0063 -0.1013 180 SER H CA 5879 C C . SER D 185 ? 0.4540 0.5711 0.5111 -0.0565 -0.0012 -0.1004 180 SER H C 5880 O O . SER D 185 ? 0.5221 0.6391 0.5768 -0.0520 0.0042 -0.1022 180 SER H O 5881 C CB . SER D 185 ? 0.5439 0.6541 0.6045 -0.0491 -0.0086 -0.1036 180 SER H CB 5882 O OG . SER D 185 ? 0.6397 0.7574 0.7145 -0.0490 -0.0109 -0.0989 180 SER H OG 5883 N N . VAL D 186 ? 0.4826 0.6081 0.5453 -0.0642 -0.0028 -0.0974 181 VAL H N 5884 C CA . VAL D 186 ? 0.4763 0.6113 0.5437 -0.0685 0.0019 -0.0965 181 VAL H CA 5885 C C . VAL D 186 ? 0.5316 0.6861 0.6151 -0.0705 -0.0037 -0.0907 181 VAL H C 5886 O O . VAL D 186 ? 0.5201 0.6802 0.6091 -0.0709 -0.0106 -0.0865 181 VAL H O 5887 C CB . VAL D 186 ? 0.4173 0.5469 0.4744 -0.0800 0.0079 -0.0984 181 VAL H CB 5888 C CG1 . VAL D 186 ? 0.3893 0.5013 0.4342 -0.0754 0.0156 -0.1001 181 VAL H CG1 5889 C CG2 . VAL D 186 ? 0.3894 0.5228 0.4441 -0.0913 0.0024 -0.0978 181 VAL H CG2 5890 N N . VAL D 187 ? 0.4453 0.6123 0.5376 -0.0716 0.0001 -0.0887 182 VAL H N 5891 C CA . VAL D 187 ? 0.3632 0.5551 0.4738 -0.0737 -0.0043 -0.0801 182 VAL H CA 5892 C C . VAL D 187 ? 0.4913 0.6970 0.6043 -0.0836 -0.0001 -0.0801 182 VAL H C 5893 O O . VAL D 187 ? 0.4345 0.6295 0.5418 -0.0814 0.0084 -0.0853 182 VAL H O 5894 C CB . VAL D 187 ? 0.4596 0.6541 0.5869 -0.0590 -0.0025 -0.0750 182 VAL H CB 5895 C CG1 . VAL D 187 ? 0.5007 0.6825 0.6240 -0.0514 0.0069 -0.0814 182 VAL H CG1 5896 C CG2 . VAL D 187 ? 0.4747 0.6985 0.6251 -0.0589 -0.0052 -0.0619 182 VAL H CG2 5897 N N . THR D 188 ? 0.3963 0.6277 0.5174 -0.0956 -0.0058 -0.0739 183 THR H N 5898 C CA . THR D 188 ? 0.4535 0.7047 0.5806 -0.1067 -0.0027 -0.0729 183 THR H CA 5899 C C . THR D 188 ? 0.4423 0.7220 0.5958 -0.0983 -0.0052 -0.0598 183 THR H C 5900 O O . THR D 188 ? 0.6394 0.9369 0.8071 -0.0934 -0.0125 -0.0483 183 THR H O 5901 C CB . THR D 188 ? 0.4578 0.7232 0.5752 -0.1296 -0.0063 -0.0754 183 THR H CB 5902 O OG1 . THR D 188 ? 0.5410 0.8211 0.6611 -0.1320 -0.0173 -0.0680 183 THR H OG1 5903 C CG2 . THR D 188 ? 0.4657 0.6995 0.5589 -0.1383 0.0031 -0.0888 183 THR H CG2 5904 N N . VAL D 189 ? 0.4000 0.6832 0.5614 -0.0952 0.0025 -0.0602 184 VAL H N 5905 C CA . VAL D 189 ? 0.4645 0.7711 0.6526 -0.0846 0.0040 -0.0476 184 VAL H CA 5906 C C . VAL D 189 ? 0.5332 0.8632 0.7290 -0.0966 0.0070 -0.0461 184 VAL H C 5907 O O . VAL D 189 ? 0.6091 0.9279 0.7874 -0.1104 0.0114 -0.0575 184 VAL H O 5908 C CB . VAL D 189 ? 0.3793 0.6610 0.5699 -0.0647 0.0135 -0.0506 184 VAL H CB 5909 C CG1 . VAL D 189 ? 0.4746 0.7318 0.6547 -0.0561 0.0113 -0.0549 184 VAL H CG1 5910 C CG2 . VAL D 189 ? 0.4563 0.7183 0.6321 -0.0660 0.0232 -0.0623 184 VAL H CG2 5911 N N . PRO D 190 ? 0.6039 0.9674 0.8271 -0.0923 0.0062 -0.0313 185 PRO H N 5912 C CA . PRO D 190 ? 0.6070 0.9940 0.8397 -0.1031 0.0101 -0.0297 185 PRO H CA 5913 C C . PRO D 190 ? 0.6150 0.9714 0.8378 -0.0960 0.0236 -0.0414 185 PRO H C 5914 O O . PRO D 190 ? 0.6699 1.0031 0.8933 -0.0775 0.0304 -0.0428 185 PRO H O 5915 C CB . PRO D 190 ? 0.4195 0.8465 0.6873 -0.0934 0.0080 -0.0083 185 PRO H CB 5916 C CG . PRO D 190 ? 0.4182 0.8528 0.6922 -0.0866 -0.0010 0.0026 185 PRO H CG 5917 C CD . PRO D 190 ? 0.4848 0.8706 0.7335 -0.0790 0.0019 -0.0130 185 PRO H CD 5918 N N . SER D 191 ? 0.6124 0.9683 0.8245 -0.1122 0.0284 -0.0502 186 SER H N 5919 C CA . SER D 191 ? 0.6834 1.0122 0.8857 -0.1063 0.0418 -0.0596 186 SER H CA 5920 C C . SER D 191 ? 0.6865 1.0294 0.9116 -0.0939 0.0489 -0.0510 186 SER H C 5921 O O . SER D 191 ? 0.6918 1.0110 0.9100 -0.0834 0.0599 -0.0568 186 SER H O 5922 C CB . SER D 191 ? 0.6855 1.0083 0.8720 -0.1270 0.0479 -0.0703 186 SER H CB 5923 O OG . SER D 191 ? 0.9049 1.2664 1.1064 -0.1450 0.0447 -0.0650 186 SER H OG 5924 N N . SER D 192 ? 0.6272 1.0101 0.8800 -0.0948 0.0437 -0.0359 187 SER H N 5925 C CA . SER D 192 ? 0.7222 1.1179 1.0001 -0.0800 0.0522 -0.0255 187 SER H CA 5926 C C . SER D 192 ? 0.8185 1.1898 1.0995 -0.0566 0.0581 -0.0237 187 SER H C 5927 O O . SER D 192 ? 0.8731 1.2423 1.1686 -0.0430 0.0698 -0.0194 187 SER H O 5928 C CB . SER D 192 ? 0.6643 1.1135 0.9742 -0.0861 0.0452 -0.0063 187 SER H CB 5929 O OG . SER D 192 ? 0.6391 1.1082 0.9516 -0.0914 0.0314 0.0020 187 SER H OG 5930 N N . SER D 193 ? 0.7383 1.0900 1.0052 -0.0528 0.0519 -0.0280 188 SER H N 5931 C CA . SER D 193 ? 0.7967 1.1240 1.0643 -0.0339 0.0584 -0.0285 188 SER H CA 5932 C C . SER D 193 ? 0.7857 1.0737 1.0269 -0.0290 0.0674 -0.0453 188 SER H C 5933 O O . SER D 193 ? 0.7167 0.9848 0.9571 -0.0156 0.0759 -0.0482 188 SER H O 5934 C CB . SER D 193 ? 0.8853 1.2107 1.1505 -0.0327 0.0482 -0.0251 188 SER H CB 5935 O OG . SER D 193 ? 0.9498 1.3155 1.2386 -0.0374 0.0391 -0.0075 188 SER H OG 5936 N N . LEU D 194 ? 0.8372 1.1144 1.0568 -0.0401 0.0667 -0.0558 189 LEU H N 5937 C CA . LEU D 194 ? 0.8089 1.0546 1.0037 -0.0355 0.0742 -0.0684 189 LEU H CA 5938 C C . LEU D 194 ? 0.9884 1.2303 1.1888 -0.0266 0.0883 -0.0689 189 LEU H C 5939 O O . LEU D 194 ? 1.1190 1.3588 1.3121 -0.0313 0.0946 -0.0723 189 LEU H O 5940 C CB . LEU D 194 ? 0.6737 0.9103 0.8476 -0.0483 0.0723 -0.0757 189 LEU H CB 5941 C CG . LEU D 194 ? 0.5886 0.8280 0.7552 -0.0601 0.0610 -0.0765 189 LEU H CG 5942 C CD1 . LEU D 194 ? 0.5693 0.7924 0.7151 -0.0703 0.0654 -0.0843 189 LEU H CD1 5943 C CD2 . LEU D 194 ? 0.4707 0.6981 0.6313 -0.0524 0.0540 -0.0775 189 LEU H CD2 5944 N N . GLY D 195 ? 0.9942 1.2333 1.2075 -0.0140 0.0954 -0.0657 190 GLY H N 5945 C CA . GLY D 195 ? 0.9522 1.1867 1.1715 -0.0054 0.1108 -0.0663 190 GLY H CA 5946 C C . GLY D 195 ? 0.9488 1.1875 1.1929 0.0072 0.1197 -0.0579 190 GLY H C 5947 O O . GLY D 195 ? 1.0256 1.2504 1.2703 0.0162 0.1354 -0.0616 190 GLY H O 5948 N N . THR D 196 ? 0.8849 1.1425 1.1497 0.0080 0.1112 -0.0457 191 THR H N 5949 C CA . THR D 196 ? 0.8910 1.1538 1.1834 0.0216 0.1207 -0.0337 191 THR H CA 5950 C C . THR D 196 ? 0.8868 1.1343 1.1745 0.0256 0.1168 -0.0351 191 THR H C 5951 O O . THR D 196 ? 0.8770 1.1236 1.1870 0.0379 0.1274 -0.0252 191 THR H O 5952 C CB . THR D 196 ? 0.8555 1.1615 1.1843 0.0217 0.1167 -0.0119 191 THR H CB 5953 O OG1 . THR D 196 ? 0.9367 1.2627 1.2678 0.0133 0.0988 -0.0044 191 THR H OG1 5954 C CG2 . THR D 196 ? 0.7707 1.0952 1.1011 0.0122 0.1164 -0.0119 191 THR H CG2 5955 N N . GLN D 197 ? 0.7616 0.9968 1.0227 0.0161 0.1036 -0.0461 192 GLN H N 5956 C CA . GLN D 197 ? 0.7398 0.9627 0.9964 0.0182 0.0983 -0.0473 192 GLN H CA 5957 C C . GLN D 197 ? 0.6880 0.8815 0.9089 0.0124 0.0957 -0.0667 192 GLN H C 5958 O O . GLN D 197 ? 0.5341 0.7277 0.7352 0.0030 0.0878 -0.0737 192 GLN H O 5959 C CB . GLN D 197 ? 0.8077 1.0576 1.0747 0.0110 0.0811 -0.0350 192 GLN H CB 5960 C CG . GLN D 197 ? 0.9097 1.1479 1.1716 0.0125 0.0747 -0.0353 192 GLN H CG 5961 C CD . GLN D 197 ? 0.9152 1.1546 1.2048 0.0272 0.0860 -0.0216 192 GLN H CD 5962 O OE1 . GLN D 197 ? 0.8135 1.0786 1.1339 0.0346 0.0917 -0.0034 192 GLN H OE1 5963 N NE2 . GLN D 197 ? 0.8555 1.0677 1.1358 0.0314 0.0906 -0.0292 192 GLN H NE2 5964 N N . THR D 198 ? 0.6500 0.8195 0.8637 0.0177 0.1037 -0.0745 193 THR H N 5965 C CA . THR D 198 ? 0.7399 0.8870 0.9214 0.0113 0.1004 -0.0915 193 THR H CA 5966 C C . THR D 198 ? 0.6455 0.7931 0.8218 0.0065 0.0857 -0.0903 193 THR H C 5967 O O . THR D 198 ? 0.4928 0.6446 0.6876 0.0113 0.0849 -0.0807 193 THR H O 5968 C CB . THR D 198 ? 0.8706 0.9917 1.0429 0.0153 0.1176 -0.1039 193 THR H CB 5969 O OG1 . THR D 198 ? 1.0539 1.1689 1.2489 0.0239 0.1273 -0.0967 193 THR H OG1 5970 C CG2 . THR D 198 ? 0.8606 0.9785 1.0312 0.0181 0.1327 -0.1081 193 THR H CG2 5971 N N . TYR D 199 ? 0.5806 0.7244 0.7326 -0.0022 0.0751 -0.0983 194 TYR H N 5972 C CA . TYR D 199 ? 0.5463 0.6896 0.6907 -0.0076 0.0616 -0.0979 194 TYR H CA 5973 C C . TYR D 199 ? 0.6528 0.7769 0.7729 -0.0106 0.0619 -0.1115 194 TYR H C 5974 O O . TYR D 199 ? 0.6467 0.7682 0.7469 -0.0147 0.0615 -0.1184 194 TYR H O 5975 C CB . TYR D 199 ? 0.3696 0.5272 0.5095 -0.0159 0.0503 -0.0935 194 TYR H CB 5976 C CG . TYR D 199 ? 0.4289 0.6104 0.5921 -0.0167 0.0480 -0.0805 194 TYR H CG 5977 C CD1 . TYR D 199 ? 0.4567 0.6520 0.6365 -0.0163 0.0411 -0.0697 194 TYR H CD1 5978 C CD2 . TYR D 199 ? 0.4068 0.6005 0.5762 -0.0183 0.0529 -0.0778 194 TYR H CD2 5979 C CE1 . TYR D 199 ? 0.4575 0.6818 0.6589 -0.0185 0.0378 -0.0558 194 TYR H CE1 5980 C CE2 . TYR D 199 ? 0.4557 0.6765 0.6473 -0.0210 0.0502 -0.0653 194 TYR H CE2 5981 C CZ . TYR D 199 ? 0.5519 0.7899 0.7593 -0.0215 0.0420 -0.0540 194 TYR H CZ 5982 O OH . TYR D 199 ? 0.6448 0.9167 0.8745 -0.0257 0.0380 -0.0398 194 TYR H OH 5983 N N . ILE D 200 ? 0.6021 0.7151 0.7247 -0.0090 0.0631 -0.1141 195 ILE H N 5984 C CA . ILE D 200 ? 0.4538 0.5512 0.5551 -0.0140 0.0638 -0.1274 195 ILE H CA 5985 C C . ILE D 200 ? 0.5279 0.6255 0.6271 -0.0176 0.0512 -0.1248 195 ILE H C 5986 O O . ILE D 200 ? 0.5864 0.6847 0.7028 -0.0138 0.0500 -0.1169 195 ILE H O 5987 C CB . ILE D 200 ? 0.5727 0.6520 0.6766 -0.0112 0.0805 -0.1361 195 ILE H CB 5988 C CG1 . ILE D 200 ? 0.4913 0.5693 0.5975 -0.0074 0.0948 -0.1385 195 ILE H CG1 5989 C CG2 . ILE D 200 ? 0.5455 0.6120 0.6254 -0.0203 0.0806 -0.1515 195 ILE H CG2 5990 C CD1 . ILE D 200 ? 0.4748 0.5321 0.5842 -0.0050 0.1151 -0.1475 195 ILE H CD1 5991 N N . CYS D 201 ? 0.3979 0.4965 0.4772 -0.0241 0.0426 -0.1297 196 CYS H N 5992 C CA A CYS D 201 ? 0.4594 0.5564 0.5346 -0.0279 0.0323 -0.1288 196 CYS H CA 5993 C CA B CYS D 201 ? 0.4594 0.5564 0.5342 -0.0280 0.0322 -0.1289 196 CYS H CA 5994 C C . CYS D 201 ? 0.4922 0.5764 0.5566 -0.0318 0.0364 -0.1404 196 CYS H C 5995 O O . CYS D 201 ? 0.5484 0.6316 0.5958 -0.0365 0.0405 -0.1502 196 CYS H O 5996 C CB A CYS D 201 ? 0.4786 0.5837 0.5412 -0.0322 0.0228 -0.1256 196 CYS H CB 5997 C CB B CYS D 201 ? 0.4792 0.5846 0.5409 -0.0322 0.0233 -0.1260 196 CYS H CB 5998 S SG A CYS D 201 ? 0.4662 0.5741 0.5048 -0.0362 0.0234 -0.1325 196 CYS H SG 5999 S SG B CYS D 201 ? 0.6210 0.7247 0.6697 -0.0375 0.0135 -0.1274 196 CYS H SG 6000 N N . ASN D 202 ? 0.4556 0.5316 0.5299 -0.0309 0.0362 -0.1393 197 ASN H N 6001 C CA . ASN D 202 ? 0.4523 0.5141 0.5185 -0.0362 0.0418 -0.1509 197 ASN H CA 6002 C C . ASN D 202 ? 0.3773 0.4429 0.4347 -0.0420 0.0292 -0.1506 197 ASN H C 6003 O O . ASN D 202 ? 0.5210 0.5893 0.5888 -0.0390 0.0216 -0.1408 197 ASN H O 6004 C CB . ASN D 202 ? 0.5082 0.5551 0.5939 -0.0303 0.0539 -0.1491 197 ASN H CB 6005 C CG . ASN D 202 ? 0.6666 0.7151 0.7708 -0.0206 0.0645 -0.1410 197 ASN H CG 6006 O OD1 . ASN D 202 ? 0.6596 0.7179 0.7846 -0.0128 0.0613 -0.1256 197 ASN H OD1 6007 N ND2 . ASN D 202 ? 0.6188 0.6600 0.7158 -0.0215 0.0775 -0.1507 197 ASN H ND2 6008 N N . VAL D 203 ? 0.4369 0.5048 0.4752 -0.0508 0.0274 -0.1608 198 VAL H N 6009 C CA . VAL D 203 ? 0.3769 0.4523 0.4070 -0.0562 0.0159 -0.1592 198 VAL H CA 6010 C C . VAL D 203 ? 0.4136 0.4814 0.4351 -0.0661 0.0200 -0.1722 198 VAL H C 6011 O O . VAL D 203 ? 0.5346 0.6017 0.5429 -0.0739 0.0277 -0.1847 198 VAL H O 6012 C CB . VAL D 203 ? 0.5317 0.6252 0.5486 -0.0577 0.0086 -0.1547 198 VAL H CB 6013 C CG1 . VAL D 203 ? 0.5185 0.6208 0.5305 -0.0612 -0.0015 -0.1502 198 VAL H CG1 6014 C CG2 . VAL D 203 ? 0.5092 0.6066 0.5341 -0.0498 0.0078 -0.1442 198 VAL H CG2 6015 N N . ASN D 204 ? 0.3968 0.4592 0.4246 -0.0673 0.0155 -0.1700 199 ASN H N 6016 C CA . ASN D 204 ? 0.4055 0.4605 0.4266 -0.0780 0.0192 -0.1821 199 ASN H CA 6017 C C . ASN D 204 ? 0.5229 0.5919 0.5388 -0.0826 0.0060 -0.1773 199 ASN H C 6018 O O . ASN D 204 ? 0.5449 0.6163 0.5701 -0.0754 -0.0020 -0.1648 199 ASN H O 6019 C CB . ASN D 204 ? 0.5301 0.5616 0.5671 -0.0745 0.0305 -0.1837 199 ASN H CB 6020 C CG . ASN D 204 ? 0.6482 0.6638 0.6911 -0.0707 0.0480 -0.1895 199 ASN H CG 6021 O OD1 . ASN D 204 ? 0.7679 0.7707 0.8011 -0.0804 0.0617 -0.2056 199 ASN H OD1 6022 N ND2 . ASN D 204 ? 0.5440 0.5611 0.6028 -0.0578 0.0489 -0.1765 199 ASN H ND2 6023 N N . HIS D 205 ? 0.4786 0.5587 0.4799 -0.0956 0.0044 -0.1871 200 HIS H N 6024 C CA . HIS D 205 ? 0.3969 0.4930 0.3951 -0.1007 -0.0068 -0.1822 200 HIS H CA 6025 C C . HIS D 205 ? 0.5198 0.6104 0.5115 -0.1160 -0.0013 -0.1978 200 HIS H C 6026 O O . HIS D 205 ? 0.5128 0.6167 0.4883 -0.1299 0.0006 -0.2095 200 HIS H O 6027 C CB . HIS D 205 ? 0.3898 0.5151 0.3773 -0.1016 -0.0156 -0.1743 200 HIS H CB 6028 C CG . HIS D 205 ? 0.4782 0.6221 0.4665 -0.1041 -0.0258 -0.1653 200 HIS H CG 6029 N ND1 . HIS D 205 ? 0.3900 0.5608 0.3670 -0.1165 -0.0307 -0.1680 200 HIS H ND1 6030 C CD2 . HIS D 205 ? 0.3770 0.5181 0.3765 -0.0964 -0.0313 -0.1530 200 HIS H CD2 6031 C CE1 . HIS D 205 ? 0.3780 0.5622 0.3617 -0.1147 -0.0385 -0.1563 200 HIS H CE1 6032 N NE2 . HIS D 205 ? 0.4486 0.6128 0.4454 -0.1024 -0.0382 -0.1478 200 HIS H NE2 6033 N N . LYS D 206 ? 0.4900 0.5612 0.4937 -0.1145 0.0022 -0.1983 201 LYS H N 6034 C CA . LYS D 206 ? 0.4954 0.5557 0.4951 -0.1292 0.0106 -0.2139 201 LYS H CA 6035 C C . LYS D 206 ? 0.4969 0.5846 0.4825 -0.1457 0.0017 -0.2193 201 LYS H C 6036 O O . LYS D 206 ? 0.4726 0.5629 0.4437 -0.1635 0.0091 -0.2369 201 LYS H O 6037 C CB . LYS D 206 ? 0.4365 0.4743 0.4537 -0.1221 0.0143 -0.2086 201 LYS H CB 6038 C CG . LYS D 206 ? 0.5243 0.5477 0.5398 -0.1367 0.0242 -0.2232 201 LYS H CG 6039 C CD . LYS D 206 ? 0.5880 0.5907 0.6221 -0.1270 0.0275 -0.2140 201 LYS H CD 6040 C CE . LYS D 206 ? 0.7292 0.7204 0.7626 -0.1414 0.0353 -0.2261 201 LYS H CE 6041 N NZ . LYS D 206 ? 0.8095 0.7861 0.8605 -0.1311 0.0355 -0.2138 201 LYS H NZ 6042 N N . PRO D 207 ? 0.4689 0.5796 0.4579 -0.1420 -0.0128 -0.2049 202 PRO H N 6043 C CA . PRO D 207 ? 0.4328 0.5731 0.4120 -0.1581 -0.0205 -0.2081 202 PRO H CA 6044 C C . PRO D 207 ? 0.5547 0.7223 0.5147 -0.1715 -0.0216 -0.2160 202 PRO H C 6045 O O . PRO D 207 ? 0.5993 0.7873 0.5480 -0.1910 -0.0232 -0.2258 202 PRO H O 6046 C CB . PRO D 207 ? 0.4062 0.5651 0.3956 -0.1464 -0.0335 -0.1868 202 PRO H CB 6047 C CG . PRO D 207 ? 0.4359 0.5667 0.4397 -0.1289 -0.0309 -0.1778 202 PRO H CG 6048 C CD . PRO D 207 ? 0.4425 0.5543 0.4440 -0.1246 -0.0213 -0.1853 202 PRO H CD 6049 N N . SER D 208 ? 0.5993 0.7695 0.5544 -0.1626 -0.0206 -0.2115 203 SER H N 6050 C CA . SER D 208 ? 0.5335 0.7294 0.4689 -0.1751 -0.0207 -0.2186 203 SER H CA 6051 C C . SER D 208 ? 0.6333 0.8036 0.5579 -0.1823 -0.0045 -0.2386 203 SER H C 6052 O O . SER D 208 ? 0.5729 0.7611 0.4791 -0.1929 -0.0026 -0.2459 203 SER H O 6053 C CB . SER D 208 ? 0.5093 0.7293 0.4456 -0.1609 -0.0294 -0.1985 203 SER H CB 6054 O OG . SER D 208 ? 0.5098 0.7027 0.4553 -0.1434 -0.0234 -0.1937 203 SER H OG 6055 N N . ASN D 209 ? 0.6278 0.7576 0.5643 -0.1758 0.0084 -0.2459 204 ASN H N 6056 C CA . ASN D 209 ? 0.5971 0.6982 0.5277 -0.1799 0.0276 -0.2629 204 ASN H CA 6057 C C . ASN D 209 ? 0.5914 0.7002 0.5161 -0.1708 0.0280 -0.2575 204 ASN H C 6058 O O . ASN D 209 ? 0.6308 0.7396 0.5381 -0.1826 0.0382 -0.2721 204 ASN H O 6059 C CB . ASN D 209 ? 0.5553 0.6550 0.4691 -0.2026 0.0388 -0.2807 204 ASN H CB 6060 C CG . ASN D 209 ? 0.7378 0.8002 0.6495 -0.2052 0.0632 -0.2967 204 ASN H CG 6061 O OD1 . ASN D 209 ? 0.7739 0.8055 0.7011 -0.1917 0.0736 -0.2980 204 ASN H OD1 6062 N ND2 . ASN D 209 ? 0.6657 0.7319 0.5592 -0.2227 0.0737 -0.3081 204 ASN H ND2 6063 N N . THR D 210 ? 0.5911 0.7062 0.5296 -0.1509 0.0178 -0.2369 205 THR H N 6064 C CA . THR D 210 ? 0.5608 0.6834 0.4967 -0.1406 0.0175 -0.2289 205 THR H CA 6065 C C . THR D 210 ? 0.5478 0.6404 0.5019 -0.1242 0.0273 -0.2249 205 THR H C 6066 O O . THR D 210 ? 0.5497 0.6317 0.5223 -0.1125 0.0233 -0.2137 205 THR H O 6067 C CB . THR D 210 ? 0.6944 0.8464 0.6329 -0.1312 0.0013 -0.2082 205 THR H CB 6068 O OG1 . THR D 210 ? 0.8281 1.0151 0.7506 -0.1454 -0.0072 -0.2086 205 THR H OG1 6069 C CG2 . THR D 210 ? 0.5614 0.7151 0.5013 -0.1183 0.0029 -0.1986 205 THR H CG2 6070 N N . LYS D 211 ? 0.5218 0.6034 0.4708 -0.1241 0.0403 -0.2332 206 LYS H N 6071 C CA . LYS D 211 ? 0.5380 0.5977 0.5053 -0.1084 0.0500 -0.2272 206 LYS H CA 6072 C C . LYS D 211 ? 0.6662 0.7372 0.6265 -0.1035 0.0510 -0.2236 206 LYS H C 6073 O O . LYS D 211 ? 0.6475 0.7231 0.5885 -0.1148 0.0585 -0.2363 206 LYS H O 6074 C CB . LYS D 211 ? 0.5737 0.6014 0.5468 -0.1119 0.0710 -0.2412 206 LYS H CB 6075 C CG . LYS D 211 ? 0.6648 0.6734 0.6614 -0.0944 0.0819 -0.2316 206 LYS H CG 6076 C CD . LYS D 211 ? 0.8157 0.7918 0.8187 -0.0973 0.1065 -0.2444 206 LYS H CD 6077 C CE . LYS D 211 ? 1.0079 0.9702 1.0339 -0.0800 0.1199 -0.2336 206 LYS H CE 6078 N NZ . LYS D 211 ? 1.1549 1.1320 1.1740 -0.0762 0.1174 -0.2309 206 LYS H NZ 6079 N N . VAL D 212 ? 0.6325 0.7088 0.6069 -0.0884 0.0438 -0.2068 207 VAL H N 6080 C CA . VAL D 212 ? 0.6769 0.7627 0.6479 -0.0824 0.0451 -0.2013 207 VAL H CA 6081 C C . VAL D 212 ? 0.7438 0.8151 0.7371 -0.0684 0.0519 -0.1931 207 VAL H C 6082 O O . VAL D 212 ? 0.7576 0.8251 0.7686 -0.0607 0.0461 -0.1826 207 VAL H O 6083 C CB . VAL D 212 ? 0.5994 0.7106 0.5652 -0.0792 0.0304 -0.1872 207 VAL H CB 6084 C CG1 . VAL D 212 ? 0.5638 0.6836 0.5247 -0.0740 0.0342 -0.1826 207 VAL H CG1 6085 C CG2 . VAL D 212 ? 0.5172 0.6490 0.4661 -0.0912 0.0218 -0.1901 207 VAL H CG2 6086 N N . ASP D 213 ? 0.7244 0.7905 0.7170 -0.0657 0.0639 -0.1969 208 ASP H N 6087 C CA . ASP D 213 ? 0.6075 0.6678 0.6218 -0.0525 0.0694 -0.1865 208 ASP H CA 6088 C C . ASP D 213 ? 0.6584 0.7334 0.6656 -0.0497 0.0674 -0.1813 208 ASP H C 6089 O O . ASP D 213 ? 0.7508 0.8247 0.7448 -0.0538 0.0776 -0.1904 208 ASP H O 6090 C CB . ASP D 213 ? 0.5191 0.5569 0.5446 -0.0499 0.0896 -0.1940 208 ASP H CB 6091 C CG . ASP D 213 ? 0.9566 0.9777 0.9938 -0.0501 0.0938 -0.1957 208 ASP H CG 6092 O OD1 . ASP D 213 ? 1.0544 1.0825 1.1011 -0.0467 0.0802 -0.1851 208 ASP H OD1 6093 O OD2 . ASP D 213 ? 1.1145 1.1138 1.1510 -0.0541 0.1125 -0.2080 208 ASP H OD2 6094 N N . LYS D 214 ? 0.5376 0.6253 0.5525 -0.0438 0.0559 -0.1674 209 LYS H N 6095 C CA . LYS D 214 ? 0.5683 0.6694 0.5767 -0.0414 0.0541 -0.1611 209 LYS H CA 6096 C C . LYS D 214 ? 0.6596 0.7600 0.6880 -0.0327 0.0582 -0.1521 209 LYS H C 6097 O O . LYS D 214 ? 0.5742 0.6760 0.6191 -0.0290 0.0520 -0.1431 209 LYS H O 6098 C CB . LYS D 214 ? 0.6059 0.7207 0.6066 -0.0428 0.0411 -0.1524 209 LYS H CB 6099 C CG . LYS D 214 ? 0.6376 0.7640 0.6334 -0.0393 0.0415 -0.1437 209 LYS H CG 6100 C CD . LYS D 214 ? 0.7000 0.8370 0.6753 -0.0438 0.0459 -0.1488 209 LYS H CD 6101 C CE . LYS D 214 ? 0.9511 1.1019 0.9110 -0.0509 0.0376 -0.1491 209 LYS H CE 6102 N NZ . LYS D 214 ? 1.1884 1.3570 1.1270 -0.0566 0.0402 -0.1513 209 LYS H NZ 6103 N N . LYS D 215 ? 0.6351 0.7360 0.6614 -0.0306 0.0685 -0.1543 210 LYS H N 6104 C CA . LYS D 215 ? 0.5787 0.6833 0.6237 -0.0235 0.0727 -0.1453 210 LYS H CA 6105 C C . LYS D 215 ? 0.6479 0.7650 0.6893 -0.0236 0.0654 -0.1364 210 LYS H C 6106 O O . LYS D 215 ? 0.6537 0.7760 0.6768 -0.0262 0.0649 -0.1376 210 LYS H O 6107 C CB . LYS D 215 ? 0.5307 0.6295 0.5757 -0.0210 0.0887 -0.1514 210 LYS H CB 6108 C CG . LYS D 215 ? 0.6682 0.7745 0.7328 -0.0141 0.0937 -0.1415 210 LYS H CG 6109 C CD . LYS D 215 ? 0.7239 0.8235 0.7874 -0.0114 0.1111 -0.1475 210 LYS H CD 6110 N N . VAL D 216 ? 0.6338 0.7564 0.6923 -0.0217 0.0608 -0.1270 211 VAL H N 6111 C CA . VAL D 216 ? 0.6290 0.7592 0.6855 -0.0236 0.0570 -0.1197 211 VAL H CA 6112 C C . VAL D 216 ? 0.6779 0.8142 0.7462 -0.0212 0.0652 -0.1159 211 VAL H C 6113 O O . VAL D 216 ? 0.7107 0.8531 0.7991 -0.0200 0.0655 -0.1112 211 VAL H O 6114 C CB . VAL D 216 ? 0.6202 0.7524 0.6839 -0.0272 0.0470 -0.1141 211 VAL H CB 6115 C CG1 . VAL D 216 ? 0.5885 0.7243 0.6494 -0.0310 0.0471 -0.1086 211 VAL H CG1 6116 C CG2 . VAL D 216 ? 0.5911 0.7175 0.6442 -0.0289 0.0398 -0.1176 211 VAL H CG2 6117 N N . GLU D 217 ? 0.8119 0.9492 0.8684 -0.0205 0.0721 -0.1166 212 GLU H N 6118 C CA . GLU D 217 ? 0.7930 0.9351 0.8582 -0.0184 0.0815 -0.1138 212 GLU H CA 6119 C C . GLU D 217 ? 0.8225 0.9692 0.8885 -0.0222 0.0815 -0.1071 212 GLU H C 6120 O O . GLU D 217 ? 0.6871 0.8303 0.7407 -0.0244 0.0784 -0.1051 212 GLU H O 6121 C CB . GLU D 217 ? 0.7554 0.8945 0.8058 -0.0156 0.0916 -0.1195 212 GLU H CB 6122 C CG . GLU D 217 ? 0.7706 0.9020 0.8218 -0.0135 0.0980 -0.1282 212 GLU H CG 6123 N N . PRO D 218 ? 0.9138 1.0680 0.9952 -0.0235 0.0867 -0.1033 213 PRO H N 6124 C CA . PRO D 218 ? 0.9501 1.1065 1.0326 -0.0301 0.0889 -0.0990 213 PRO H CA 6125 C C . PRO D 218 ? 1.0909 1.2404 1.1572 -0.0278 0.0978 -0.0974 213 PRO H C 6126 O O . PRO D 218 ? 0.8585 1.0070 0.9149 -0.0217 0.1031 -0.0990 213 PRO H O 6127 C CB . PRO D 218 ? 0.7954 0.9653 0.8990 -0.0327 0.0930 -0.0959 213 PRO H CB 6128 C CG . PRO D 218 ? 0.7105 0.8863 0.8282 -0.0266 0.0903 -0.0957 213 PRO H CG 6129 C CD . PRO D 218 ? 0.8262 0.9880 0.9268 -0.0199 0.0918 -0.1023 213 PRO H CD 6130 N N A LYS D 219 ? 1.1862 1.3312 1.2500 -0.0334 0.1011 -0.0938 214 LYS H N 6131 N N B LYS D 219 ? 1.1862 1.3311 1.2498 -0.0334 0.1010 -0.0938 214 LYS H N 6132 N N C LYS D 219 ? 1.1905 1.3352 1.2537 -0.0333 0.1008 -0.0938 214 LYS H N 6133 N N D LYS D 219 ? 1.1935 1.3381 1.2566 -0.0333 0.1007 -0.0938 214 LYS H N 6134 C CA A LYS D 219 ? 1.2037 1.3418 1.2557 -0.0305 0.1123 -0.0887 214 LYS H CA 6135 C CA B LYS D 219 ? 1.2045 1.3425 1.2561 -0.0304 0.1120 -0.0887 214 LYS H CA 6136 C CA C LYS D 219 ? 1.2031 1.3407 1.2540 -0.0303 0.1115 -0.0887 214 LYS H CA 6137 C CA D LYS D 219 ? 1.2039 1.3408 1.2540 -0.0304 0.1108 -0.0885 214 LYS H CA 6138 C C A LYS D 219 ? 1.2152 1.3518 1.2499 -0.0229 0.1096 -0.0860 214 LYS H C 6139 C C B LYS D 219 ? 1.2152 1.3520 1.2496 -0.0227 0.1093 -0.0862 214 LYS H C 6140 C C C LYS D 219 ? 1.2163 1.3539 1.2502 -0.0221 0.1091 -0.0865 214 LYS H C 6141 C C D LYS D 219 ? 1.2220 1.3612 1.2568 -0.0212 0.1125 -0.0867 214 LYS H C 6142 O O A LYS D 219 ? 1.2348 1.3663 1.2615 -0.0212 0.1136 -0.0789 214 LYS H O 6143 O O B LYS D 219 ? 1.2360 1.3684 1.2617 -0.0203 0.1141 -0.0787 214 LYS H O 6144 O O C LYS D 219 ? 1.2293 1.3628 1.2543 -0.0203 0.1102 -0.0801 214 LYS H O 6145 O O D LYS D 219 ? 1.2418 1.3788 1.2648 -0.0174 0.1163 -0.0795 214 LYS H O 6146 C CB A LYS D 219 ? 1.2021 1.3443 1.2584 -0.0281 0.1234 -0.0877 214 LYS H CB 6147 C CB B LYS D 219 ? 1.2021 1.3439 1.2582 -0.0283 0.1234 -0.0876 214 LYS H CB 6148 C CB C LYS D 219 ? 1.2057 1.3465 1.2621 -0.0295 0.1235 -0.0872 214 LYS H CB 6149 C CB D LYS D 219 ? 1.2055 1.3419 1.2630 -0.0345 0.1238 -0.0863 214 LYS H CB 6150 C CG A LYS D 219 ? 1.2006 1.3495 1.2754 -0.0366 0.1265 -0.0891 214 LYS H CG 6151 C CG B LYS D 219 ? 1.2000 1.3489 1.2750 -0.0368 0.1257 -0.0892 214 LYS H CG 6152 C CG C LYS D 219 ? 1.1802 1.3189 1.2222 -0.0213 0.1333 -0.0816 214 LYS H CG 6153 C CG D LYS D 219 ? 1.2042 1.3501 1.2706 -0.0315 0.1278 -0.0881 214 LYS H CG 6154 C CD A LYS D 219 ? 1.1936 1.3346 1.2687 -0.0461 0.1355 -0.0870 214 LYS H CD 6155 C CD B LYS D 219 ? 1.1884 1.3307 1.2650 -0.0481 0.1309 -0.0883 214 LYS H CD 6156 C CD C LYS D 219 ? 1.0107 1.1566 1.0479 -0.0154 0.1328 -0.0858 214 LYS H CD 6157 C CD D LYS D 219 ? 1.1963 1.3423 1.2710 -0.0371 0.1407 -0.0858 214 LYS H CD 6158 C CE A LYS D 219 ? 1.1916 1.3236 1.2577 -0.0405 0.1513 -0.0813 214 LYS H CE 6159 C CE B LYS D 219 ? 1.1883 1.3189 1.2565 -0.0459 0.1475 -0.0832 214 LYS H CE 6160 C CE C LYS D 219 ? 0.9484 1.0970 0.9660 -0.0088 0.1379 -0.0804 214 LYS H CE 6161 C CE D LYS D 219 ? 1.1838 1.3292 1.2672 -0.0512 0.1399 -0.0876 214 LYS H CE 6162 N NZ A LYS D 219 ? 1.1876 1.3077 1.2552 -0.0503 0.1646 -0.0798 214 LYS H NZ 6163 N NZ B LYS D 219 ? 1.1878 1.3248 1.2627 -0.0436 0.1570 -0.0821 214 LYS H NZ 6164 N NZ C LYS D 219 ? 0.9424 1.0968 0.9512 -0.0064 0.1377 -0.0876 214 LYS H NZ 6165 N NZ D LYS D 219 ? 1.1602 1.3189 1.2556 -0.0565 0.1254 -0.0909 214 LYS H NZ 6166 N N . ASP E 1 ? 1.8680 1.6415 1.1916 -0.1531 -0.1438 -0.2107 1 ASP I N 6167 C CA . ASP E 1 ? 1.8567 1.6837 1.2129 -0.1606 -0.1640 -0.1919 1 ASP I CA 6168 C C . ASP E 1 ? 1.7667 1.6197 1.1401 -0.1386 -0.1536 -0.1554 1 ASP I C 6169 O O . ASP E 1 ? 1.7402 1.5874 1.0840 -0.1183 -0.1392 -0.1468 1 ASP I O 6170 C CB . ASP E 1 ? 1.8749 1.7019 1.2824 -0.1847 -0.1713 -0.1952 1 ASP I CB 6171 C CG . ASP E 1 ? 1.8847 1.7686 1.3206 -0.1974 -0.1981 -0.1886 1 ASP I CG 6172 O OD1 . ASP E 1 ? 1.9449 1.8600 1.3511 -0.1941 -0.2171 -0.1929 1 ASP I OD1 6173 O OD2 . ASP E 1 ? 1.8169 1.7160 1.3046 -0.2095 -0.1998 -0.1785 1 ASP I OD2 6174 N N . THR E 2 ? 1.6209 1.5022 1.0438 -0.1431 -0.1598 -0.1348 2 THR I N 6175 C CA . THR E 2 ? 1.4024 1.3099 0.8448 -0.1247 -0.1538 -0.1019 2 THR I CA 6176 C C . THR E 2 ? 1.2829 1.1952 0.7814 -0.1298 -0.1488 -0.0873 2 THR I C 6177 O O . THR E 2 ? 1.2271 1.1582 0.7567 -0.1471 -0.1627 -0.0927 2 THR I O 6178 C CB . THR E 2 ? 1.3469 1.3013 0.7788 -0.1200 -0.1751 -0.0897 2 THR I CB 6179 O OG1 . THR E 2 ? 1.2799 1.2303 0.6543 -0.1100 -0.1743 -0.0969 2 THR I OG1 6180 C CG2 . THR E 2 ? 1.3292 1.3084 0.7932 -0.1050 -0.1711 -0.0557 2 THR I CG2 6181 N N . ILE E 3 ? 1.1958 1.0935 0.7070 -0.1150 -0.1287 -0.0698 3 ILE I N 6182 C CA . ILE E 3 ? 1.1001 1.0044 0.6591 -0.1159 -0.1224 -0.0540 3 ILE I CA 6183 C C . ILE E 3 ? 1.1178 1.0595 0.6958 -0.1028 -0.1286 -0.0287 3 ILE I C 6184 O O . ILE E 3 ? 1.1614 1.1017 0.7248 -0.0860 -0.1194 -0.0141 3 ILE I O 6185 C CB . ILE E 3 ? 1.0712 0.9383 0.6326 -0.1072 -0.0990 -0.0506 3 ILE I CB 6186 C CG1 . ILE E 3 ? 1.1174 0.9412 0.6552 -0.1162 -0.0919 -0.0741 3 ILE I CG1 6187 C CG2 . ILE E 3 ? 1.0939 0.9679 0.6997 -0.1093 -0.0933 -0.0368 3 ILE I CG2 6188 C CD1 . ILE E 3 ? 1.0657 0.8532 0.6056 -0.1057 -0.0706 -0.0697 3 ILE I CD1 6189 N N . THR E 4 ? 1.0240 0.9988 0.6370 -0.1105 -0.1433 -0.0233 4 THR I N 6190 C CA . THR E 4 ? 1.0384 1.0465 0.6727 -0.0974 -0.1505 0.0001 4 THR I CA 6191 C C . THR E 4 ? 1.0795 1.0875 0.7573 -0.0934 -0.1385 0.0125 4 THR I C 6192 O O . THR E 4 ? 1.2460 1.2553 0.9521 -0.1064 -0.1372 0.0043 4 THR I O 6193 C CB . THR E 4 ? 1.0823 1.1322 0.7275 -0.1041 -0.1763 -0.0010 4 THR I CB 6194 O OG1 . THR E 4 ? 1.2520 1.3148 0.9368 -0.1213 -0.1814 -0.0116 4 THR I OG1 6195 C CG2 . THR E 4 ? 0.9287 0.9788 0.5267 -0.1100 -0.1898 -0.0172 4 THR I CG2 6196 N N . LEU E 5 ? 1.0443 1.0506 0.7265 -0.0765 -0.1293 0.0317 5 LEU I N 6197 C CA . LEU E 5 ? 0.9107 0.9157 0.6293 -0.0707 -0.1182 0.0423 5 LEU I CA 6198 C C . LEU E 5 ? 0.8816 0.9192 0.6301 -0.0616 -0.1295 0.0588 5 LEU I C 6199 O O . LEU E 5 ? 0.8761 0.9219 0.6110 -0.0501 -0.1356 0.0732 5 LEU I O 6200 C CB . LEU E 5 ? 0.8587 0.8367 0.5646 -0.0590 -0.1000 0.0498 5 LEU I CB 6201 C CG . LEU E 5 ? 0.9159 0.8615 0.5915 -0.0630 -0.0883 0.0353 5 LEU I CG 6202 C CD1 . LEU E 5 ? 0.8642 0.7912 0.5361 -0.0504 -0.0716 0.0439 5 LEU I CD1 6203 C CD2 . LEU E 5 ? 0.9714 0.9041 0.6586 -0.0778 -0.0859 0.0203 5 LEU I CD2 6204 N N . PRO E 6 ? 0.8041 0.8605 0.5931 -0.0653 -0.1316 0.0583 6 PRO I N 6205 C CA . PRO E 6 ? 0.6733 0.7583 0.4938 -0.0529 -0.1407 0.0741 6 PRO I CA 6206 C C . PRO E 6 ? 0.7462 0.8137 0.5736 -0.0373 -0.1275 0.0887 6 PRO I C 6207 O O . PRO E 6 ? 0.7621 0.8076 0.5934 -0.0382 -0.1113 0.0842 6 PRO I O 6208 C CB . PRO E 6 ? 0.6059 0.7146 0.4680 -0.0621 -0.1423 0.0657 6 PRO I CB 6209 C CG . PRO E 6 ? 0.6775 0.7587 0.5317 -0.0757 -0.1262 0.0516 6 PRO I CG 6210 C CD . PRO E 6 ? 0.7009 0.7545 0.5088 -0.0809 -0.1256 0.0437 6 PRO I CD 6211 N N . CYS E 7 ? 0.8001 0.8765 0.6281 -0.0235 -0.1353 0.1067 7 CYS I N 6212 C CA . CYS E 7 ? 0.7847 0.8433 0.6198 -0.0103 -0.1245 0.1212 7 CYS I CA 6213 C C . CYS E 7 ? 0.7858 0.8630 0.6566 0.0030 -0.1328 0.1349 7 CYS I C 6214 O O . CYS E 7 ? 0.8195 0.9229 0.6955 0.0072 -0.1500 0.1423 7 CYS I O 6215 C CB . CYS E 7 ? 0.8585 0.9017 0.6575 -0.0054 -0.1221 0.1335 7 CYS I CB 6216 S SG . CYS E 7 ? 1.1672 1.1869 0.9236 -0.0155 -0.1100 0.1189 7 CYS I SG 6217 N N . ARG E 8 ? 0.6855 0.7485 0.5803 0.0106 -0.1211 0.1376 8 ARG I N 6218 C CA . ARG E 8 ? 0.7234 0.7953 0.6509 0.0259 -0.1262 0.1506 8 ARG I CA 6219 C C . ARG E 8 ? 0.7701 0.8114 0.6974 0.0343 -0.1151 0.1618 8 ARG I C 6220 O O . ARG E 8 ? 0.8759 0.8975 0.8036 0.0298 -0.1010 0.1518 8 ARG I O 6221 C CB . ARG E 8 ? 0.7168 0.8069 0.6837 0.0270 -0.1235 0.1385 8 ARG I CB 6222 C CG . ARG E 8 ? 0.8155 0.9191 0.8191 0.0453 -0.1303 0.1500 8 ARG I CG 6223 C CD . ARG E 8 ? 0.9604 1.0871 1.0032 0.0469 -0.1257 0.1366 8 ARG I CD 6224 N NE . ARG E 8 ? 0.9982 1.1032 1.0422 0.0423 -0.1064 0.1228 8 ARG I NE 6225 C CZ . ARG E 8 ? 0.8998 1.0188 0.9721 0.0440 -0.0971 0.1106 8 ARG I CZ 6226 N NH1 . ARG E 8 ? 0.8813 1.0380 0.9883 0.0501 -0.1044 0.1103 8 ARG I NH1 6227 N NH2 . ARG E 8 ? 0.8508 0.9490 0.9170 0.0404 -0.0805 0.0991 8 ARG I NH2 6228 N N . PRO E 9 ? 0.8407 0.8781 0.7670 0.0457 -0.1222 0.1832 9 PRO I N 6229 C CA . PRO E 9 ? 0.7834 0.8449 0.7031 0.0524 -0.1408 0.1975 9 PRO I CA 6230 C C . PRO E 9 ? 0.9194 0.9841 0.7929 0.0433 -0.1457 0.1998 9 PRO I C 6231 O O . PRO E 9 ? 0.9147 0.9648 0.7644 0.0315 -0.1342 0.1876 9 PRO I O 6232 C CB . PRO E 9 ? 0.7122 0.7585 0.6455 0.0690 -0.1425 0.2217 9 PRO I CB 6233 C CG . PRO E 9 ? 0.6883 0.6990 0.6169 0.0646 -0.1243 0.2216 9 PRO I CG 6234 C CD . PRO E 9 ? 0.7014 0.7102 0.6375 0.0537 -0.1130 0.1955 9 PRO I CD 6235 N N . ALA E 10 ? 1.0321 1.1161 0.8920 0.0501 -0.1628 0.2149 10 ALA I N 6236 C CA . ALA E 10 ? 1.0526 1.1426 0.8649 0.0428 -0.1690 0.2156 10 ALA I CA 6237 C C . ALA E 10 ? 0.9889 1.0508 0.7706 0.0438 -0.1547 0.2308 10 ALA I C 6238 O O . ALA E 10 ? 1.0275 1.0795 0.8129 0.0555 -0.1548 0.2559 10 ALA I O 6239 C CB . ALA E 10 ? 1.0345 1.1565 0.8400 0.0511 -0.1935 0.2282 10 ALA I CB 6240 N N . PRO E 11 ? 0.8435 0.8920 0.5968 0.0324 -0.1416 0.2174 11 PRO I N 6241 C CA . PRO E 11 ? 0.8542 0.8821 0.5812 0.0330 -0.1266 0.2316 11 PRO I CA 6242 C C . PRO E 11 ? 1.0309 1.0704 0.7156 0.0377 -0.1358 0.2494 11 PRO I C 6243 O O . PRO E 11 ? 1.1074 1.1666 0.7651 0.0337 -0.1490 0.2379 11 PRO I O 6244 C CB . PRO E 11 ? 0.8449 0.8614 0.5568 0.0212 -0.1118 0.2085 11 PRO I CB 6245 C CG . PRO E 11 ? 0.7699 0.7939 0.5055 0.0145 -0.1171 0.1848 11 PRO I CG 6246 C CD . PRO E 11 ? 0.7633 0.8139 0.5111 0.0188 -0.1382 0.1890 11 PRO I CD 6247 N N . PRO E 12 ? 1.0068 1.0341 0.6832 0.0452 -0.1290 0.2773 12 PRO I N 6248 C CA . PRO E 12 ? 1.0762 1.1072 0.7111 0.0500 -0.1325 0.2884 12 PRO I CA 6249 C C . PRO E 12 ? 1.1416 1.1726 0.7321 0.0411 -0.1220 0.2720 12 PRO I C 6250 O O . PRO E 12 ? 1.0554 1.0791 0.6483 0.0327 -0.1080 0.2588 12 PRO I O 6251 C CB . PRO E 12 ? 1.0512 1.0570 0.6966 0.0563 -0.1190 0.3135 12 PRO I CB 6252 C CG . PRO E 12 ? 1.0573 1.0521 0.7539 0.0586 -0.1172 0.3180 12 PRO I CG 6253 C CD . PRO E 12 ? 0.9488 0.9518 0.6583 0.0490 -0.1157 0.2926 12 PRO I CD 6254 N N . PRO E 13 ? 1.1504 1.1885 0.6988 0.0439 -0.1286 0.2720 13 PRO I N 6255 C CA . PRO E 13 ? 1.1493 1.1859 0.6534 0.0370 -0.1184 0.2542 13 PRO I CA 6256 C C . PRO E 13 ? 1.1316 1.1488 0.6307 0.0339 -0.0906 0.2595 13 PRO I C 6257 O O . PRO E 13 ? 1.0649 1.0804 0.5446 0.0280 -0.0789 0.2409 13 PRO I O 6258 C CB . PRO E 13 ? 1.1500 1.1952 0.6122 0.0426 -0.1314 0.2588 13 PRO I CB 6259 C CG . PRO E 13 ? 1.1026 1.1639 0.5907 0.0504 -0.1557 0.2691 13 PRO I CG 6260 C CD . PRO E 13 ? 1.0847 1.1341 0.6235 0.0540 -0.1480 0.2855 13 PRO I CD 6261 N N . HIS E 14 ? 1.1396 1.1432 0.6579 0.0373 -0.0797 0.2839 14 HIS I N 6262 C CA . HIS E 14 ? 1.1957 1.1861 0.7153 0.0324 -0.0539 0.2900 14 HIS I CA 6263 C C . HIS E 14 ? 1.2047 1.1908 0.7596 0.0268 -0.0433 0.2794 14 HIS I C 6264 O O . HIS E 14 ? 1.2714 1.2516 0.8320 0.0226 -0.0226 0.2820 14 HIS I O 6265 C CB . HIS E 14 ? 1.3019 1.2787 0.8329 0.0353 -0.0463 0.3194 14 HIS I CB 6266 C CG . HIS E 14 ? 1.3960 1.3598 0.9790 0.0357 -0.0456 0.3310 14 HIS I CG 6267 N ND1 . HIS E 14 ? 1.4089 1.3720 1.0166 0.0435 -0.0643 0.3375 14 HIS I ND1 6268 C CD2 . HIS E 14 ? 1.4237 1.3749 1.0393 0.0294 -0.0285 0.3365 14 HIS I CD2 6269 C CE1 . HIS E 14 ? 1.3485 1.2958 0.9997 0.0423 -0.0581 0.3454 14 HIS I CE1 6270 N NE2 . HIS E 14 ? 1.3756 1.3151 1.0321 0.0330 -0.0372 0.3447 14 HIS I NE2 6271 N N . CYS E 15 ? 1.1565 1.1479 0.7356 0.0263 -0.0570 0.2682 15 CYS I N 6272 C CA . CYS E 15 ? 1.1533 1.1393 0.7612 0.0207 -0.0486 0.2543 15 CYS I CA 6273 C C . CYS E 15 ? 1.0588 1.0472 0.6441 0.0161 -0.0452 0.2246 15 CYS I C 6274 O O . CYS E 15 ? 0.9508 0.9301 0.5599 0.0122 -0.0392 0.2064 15 CYS I O 6275 C CB . CYS E 15 ? 1.2811 1.2632 0.9330 0.0216 -0.0617 0.2492 15 CYS I CB 6276 S SG . CYS E 15 ? 1.5470 1.5153 1.2360 0.0275 -0.0609 0.2790 15 CYS I SG 6277 N N . SER E 16 ? 1.1056 1.1043 0.6440 0.0170 -0.0492 0.2193 16 SER I N 6278 C CA . SER E 16 ? 0.9909 0.9863 0.5048 0.0135 -0.0432 0.1913 16 SER I CA 6279 C C . SER E 16 ? 0.9356 0.9225 0.4548 0.0144 -0.0184 0.1899 16 SER I C 6280 O O . SER E 16 ? 0.9981 0.9894 0.5118 0.0172 -0.0044 0.2107 16 SER I O 6281 C CB . SER E 16 ? 1.0107 1.0174 0.4696 0.0149 -0.0508 0.1859 16 SER I CB 6282 O OG . SER E 16 ? 1.1013 1.1197 0.5593 0.0138 -0.0760 0.1847 16 SER I OG 6283 N N . SER E 17 ? 0.9089 0.8850 0.4408 0.0120 -0.0130 0.1665 17 SER I N 6284 C CA . SER E 17 ? 0.9909 0.9619 0.5364 0.0143 0.0077 0.1636 17 SER I CA 6285 C C . SER E 17 ? 0.9692 0.9321 0.4890 0.0165 0.0144 0.1373 17 SER I C 6286 O O . SER E 17 ? 1.0229 0.9810 0.5156 0.0142 0.0029 0.1204 17 SER I O 6287 C CB . SER E 17 ? 1.0099 0.9733 0.6060 0.0116 0.0077 0.1642 17 SER I CB 6288 O OG . SER E 17 ? 1.0473 1.0129 0.6681 0.0099 -0.0012 0.1839 17 SER I OG 6289 N N . ASN E 18 ? 0.9434 0.9045 0.4735 0.0212 0.0328 0.1334 18 ASN I N 6290 C CA . ASN E 18 ? 0.9563 0.9049 0.4716 0.0260 0.0403 0.1088 18 ASN I CA 6291 C C . ASN E 18 ? 0.8916 0.8285 0.4458 0.0256 0.0396 0.1010 18 ASN I C 6292 O O . ASN E 18 ? 0.8470 0.7917 0.4369 0.0255 0.0444 0.1139 18 ASN I O 6293 C CB . ASN E 18 ? 0.8621 0.8206 0.3574 0.0353 0.0626 0.1092 18 ASN I CB 6294 C CG . ASN E 18 ? 0.8833 0.8502 0.3274 0.0371 0.0641 0.1103 18 ASN I CG 6295 N ND2 . ASN E 18 ? 1.1757 1.1589 0.6062 0.0436 0.0847 0.1209 18 ASN I ND2 6296 N N . ILE E 19 ? 0.9169 0.8344 0.4635 0.0243 0.0327 0.0803 19 ILE I N 6297 C CA . ILE E 19 ? 0.8209 0.7251 0.3960 0.0258 0.0336 0.0727 19 ILE I CA 6298 C C . ILE E 19 ? 0.8390 0.7418 0.4121 0.0381 0.0512 0.0664 19 ILE I C 6299 O O . ILE E 19 ? 0.7989 0.6911 0.3410 0.0444 0.0583 0.0517 19 ILE I O 6300 C CB . ILE E 19 ? 0.7430 0.6255 0.3109 0.0190 0.0215 0.0558 19 ILE I CB 6301 C CG1 . ILE E 19 ? 0.7900 0.6811 0.3663 0.0079 0.0044 0.0627 19 ILE I CG1 6302 C CG2 . ILE E 19 ? 0.6927 0.5605 0.2852 0.0215 0.0238 0.0509 19 ILE I CG2 6303 C CD1 . ILE E 19 ? 0.7598 0.6358 0.3269 -0.0016 -0.0073 0.0460 19 ILE I CD1 6304 N N . THR E 20 ? 0.8258 0.7410 0.4331 0.0419 0.0580 0.0767 20 THR I N 6305 C CA . THR E 20 ? 0.8093 0.7308 0.4241 0.0547 0.0737 0.0729 20 THR I CA 6306 C C . THR E 20 ? 0.7083 0.6156 0.3432 0.0604 0.0707 0.0643 20 THR I C 6307 O O . THR E 20 ? 0.7835 0.6924 0.4225 0.0738 0.0816 0.0585 20 THR I O 6308 C CB . THR E 20 ? 0.8584 0.8100 0.4995 0.0546 0.0841 0.0913 20 THR I CB 6309 O OG1 . THR E 20 ? 0.8932 0.8496 0.5704 0.0458 0.0738 0.1020 20 THR I OG1 6310 C CG2 . THR E 20 ? 0.7654 0.7296 0.3816 0.0504 0.0896 0.1028 20 THR I CG2 6311 N N . GLY E 21 ? 0.7753 0.6700 0.4219 0.0520 0.0568 0.0641 21 GLY I N 6312 C CA . GLY E 21 ? 0.7146 0.5950 0.3749 0.0573 0.0538 0.0580 21 GLY I CA 6313 C C . GLY E 21 ? 0.7768 0.6469 0.4464 0.0458 0.0400 0.0593 21 GLY I C 6314 O O . GLY E 21 ? 0.7291 0.6053 0.3992 0.0349 0.0323 0.0646 21 GLY I O 6315 N N . LEU E 22 ? 0.7867 0.6423 0.4636 0.0497 0.0374 0.0551 22 LEU I N 6316 C CA . LEU E 22 ? 0.7962 0.6448 0.4831 0.0402 0.0271 0.0565 22 LEU I CA 6317 C C . LEU E 22 ? 0.7692 0.6162 0.4714 0.0481 0.0265 0.0579 22 LEU I C 6318 O O . LEU E 22 ? 0.7213 0.5712 0.4262 0.0613 0.0325 0.0574 22 LEU I O 6319 C CB . LEU E 22 ? 0.8996 0.7236 0.5645 0.0314 0.0229 0.0473 22 LEU I CB 6320 C CG . LEU E 22 ? 0.9438 0.7396 0.5818 0.0367 0.0288 0.0351 22 LEU I CG 6321 C CD1 . LEU E 22 ? 1.0134 0.7884 0.6535 0.0455 0.0318 0.0344 22 LEU I CD1 6322 C CD2 . LEU E 22 ? 0.8896 0.6698 0.5097 0.0225 0.0226 0.0260 22 LEU I CD2 6323 N N . ILE E 23 ? 0.6505 0.4953 0.3626 0.0409 0.0191 0.0598 23 ILE I N 6324 C CA . ILE E 23 ? 0.6821 0.5287 0.4059 0.0474 0.0165 0.0617 23 ILE I CA 6325 C C . ILE E 23 ? 0.6705 0.4952 0.3822 0.0419 0.0139 0.0594 23 ILE I C 6326 O O . ILE E 23 ? 0.6343 0.4590 0.3478 0.0297 0.0104 0.0587 23 ILE I O 6327 C CB . ILE E 23 ? 0.6432 0.5160 0.3949 0.0444 0.0115 0.0667 23 ILE I CB 6328 C CG1 . ILE E 23 ? 0.7029 0.5805 0.4637 0.0518 0.0072 0.0664 23 ILE I CG1 6329 C CG2 . ILE E 23 ? 0.7125 0.5884 0.4717 0.0317 0.0062 0.0680 23 ILE I CG2 6330 C CD1 . ILE E 23 ? 0.6397 0.5413 0.4283 0.0479 0.0013 0.0677 23 ILE I CD1 6331 N N . LEU E 24 ? 0.6732 0.4801 0.3735 0.0515 0.0162 0.0594 24 LEU I N 6332 C CA . LEU E 24 ? 0.6699 0.4505 0.3543 0.0464 0.0170 0.0592 24 LEU I CA 6333 C C . LEU E 24 ? 0.7344 0.5161 0.4199 0.0535 0.0145 0.0648 24 LEU I C 6334 O O . LEU E 24 ? 0.8062 0.6035 0.5007 0.0660 0.0115 0.0674 24 LEU I O 6335 C CB . LEU E 24 ? 0.6601 0.4074 0.3219 0.0510 0.0234 0.0552 24 LEU I CB 6336 C CG . LEU E 24 ? 0.7102 0.4532 0.3634 0.0462 0.0261 0.0467 24 LEU I CG 6337 C CD1 . LEU E 24 ? 0.6898 0.4006 0.3224 0.0571 0.0333 0.0408 24 LEU I CD1 6338 C CD2 . LEU E 24 ? 0.7168 0.4566 0.3677 0.0265 0.0224 0.0426 24 LEU I CD2 6339 N N . THR E 25 ? 0.8010 0.5675 0.4766 0.0451 0.0158 0.0668 25 THR I N 6340 C CA . THR E 25 ? 0.7242 0.4852 0.3908 0.0518 0.0153 0.0733 25 THR I CA 6341 C C . THR E 25 ? 0.8462 0.5683 0.4888 0.0526 0.0224 0.0781 25 THR I C 6342 O O . THR E 25 ? 0.8910 0.5945 0.5283 0.0392 0.0271 0.0745 25 THR I O 6343 C CB . THR E 25 ? 0.6438 0.4216 0.3187 0.0414 0.0134 0.0729 25 THR I CB 6344 O OG1 . THR E 25 ? 0.8169 0.6252 0.5135 0.0433 0.0063 0.0688 25 THR I OG1 6345 C CG2 . THR E 25 ? 0.6283 0.3966 0.2856 0.0464 0.0152 0.0799 25 THR I CG2 6346 N N . ARG E 26 ? 0.8222 0.5317 0.4511 0.0682 0.0223 0.0863 26 ARG I N 6347 C CA . ARG E 26 ? 0.7019 0.3699 0.3071 0.0704 0.0294 0.0941 26 ARG I CA 6348 C C . ARG E 26 ? 0.8632 0.5261 0.4573 0.0606 0.0330 0.1025 26 ARG I C 6349 O O . ARG E 26 ? 0.7352 0.4196 0.3281 0.0673 0.0283 0.1069 26 ARG I O 6350 C CB . ARG E 26 ? 0.7272 0.3829 0.3222 0.0947 0.0276 0.1015 26 ARG I CB 6351 C CG . ARG E 26 ? 0.9383 0.5456 0.5075 0.0995 0.0350 0.1124 26 ARG I CG 6352 C CD . ARG E 26 ? 1.0219 0.6162 0.5848 0.1266 0.0330 0.1184 26 ARG I CD 6353 N NE . ARG E 26 ? 0.9546 0.5850 0.5243 0.1430 0.0222 0.1246 26 ARG I NE 6354 C CZ . ARG E 26 ? 0.9303 0.5580 0.4825 0.1501 0.0186 0.1385 26 ARG I CZ 6355 N NH1 . ARG E 26 ? 0.9833 0.5728 0.5107 0.1420 0.0272 0.1498 26 ARG I NH1 6356 N NH2 . ARG E 26 ? 0.9207 0.5849 0.4795 0.1643 0.0063 0.1412 26 ARG I NH2 6357 N N . GLN E 27 ? 0.8716 0.5077 0.4576 0.0442 0.0418 0.1037 27 GLN I N 6358 C CA . GLN E 27 ? 0.8660 0.5002 0.4437 0.0328 0.0484 0.1122 27 GLN I CA 6359 C C . GLN E 27 ? 0.9771 0.5904 0.5282 0.0478 0.0510 0.1288 27 GLN I C 6360 O O . GLN E 27 ? 0.9250 0.5014 0.4605 0.0578 0.0538 0.1363 27 GLN I O 6361 C CB . GLN E 27 ? 0.8413 0.4533 0.4206 0.0100 0.0577 0.1102 27 GLN I CB 6362 C CG . GLN E 27 ? 0.9184 0.5229 0.4868 -0.0011 0.0685 0.1224 27 GLN I CG 6363 C CD . GLN E 27 ? 0.8883 0.5168 0.4784 -0.0240 0.0730 0.1153 27 GLN I CD 6364 O OE1 . GLN E 27 ? 0.9660 0.5971 0.5735 -0.0373 0.0703 0.1039 27 GLN I OE1 6365 N NE2 . GLN E 27 ? 0.7976 0.4463 0.3866 -0.0274 0.0795 0.1215 27 GLN I NE2 6366 N N . GLY E 28 ? 1.2214 0.8573 0.7659 0.0502 0.0500 0.1343 28 GLY I N 6367 C CA . GLY E 28 ? 1.2774 0.8997 0.7929 0.0649 0.0509 0.1511 28 GLY I CA 6368 C C . GLY E 28 ? 1.2829 0.8675 0.7759 0.0540 0.0660 0.1669 28 GLY I C 6369 O O . GLY E 28 ? 1.3092 0.8691 0.8095 0.0363 0.0751 0.1648 28 GLY I O 6370 N N . GLY E 29 ? 1.3470 0.9329 0.8183 0.0630 0.0675 0.1811 29 GLY I N 6371 C CA . GLY E 29 ? 1.4152 0.9734 0.8741 0.0536 0.0809 0.1963 29 GLY I CA 6372 C C . GLY E 29 ? 1.5691 1.0843 1.0215 0.0642 0.0809 0.2056 29 GLY I C 6373 O O . GLY E 29 ? 1.6492 1.1594 1.1054 0.0821 0.0706 0.2007 29 GLY I O 6374 N N . TYR E 30 ? 1.7137 1.1973 1.1572 0.0529 0.0937 0.2193 30 TYR I N 6375 C CA . TYR E 30 ? 1.8777 1.3163 1.3134 0.0634 0.0950 0.2297 30 TYR I CA 6376 C C . TYR E 30 ? 2.0318 1.4282 1.4768 0.0469 0.1030 0.2211 30 TYR I C 6377 O O . TYR E 30 ? 2.0375 1.4203 1.4875 0.0571 0.0965 0.2094 30 TYR I O 6378 C CB . TYR E 30 ? 1.9313 1.3557 1.3497 0.0627 0.1032 0.2519 30 TYR I CB 6379 C CG . TYR E 30 ? 1.9752 1.4295 1.3776 0.0847 0.0924 0.2622 30 TYR I CG 6380 C CD1 . TYR E 30 ? 2.0549 1.4931 1.4371 0.0905 0.0964 0.2845 30 TYR I CD1 6381 C CD2 . TYR E 30 ? 1.8955 1.3938 1.3025 0.0983 0.0777 0.2498 30 TYR I CD2 6382 C CE1 . TYR E 30 ? 2.0731 1.5391 1.4380 0.1098 0.0851 0.2934 30 TYR I CE1 6383 C CE2 . TYR E 30 ? 1.9215 1.4477 1.3140 0.1165 0.0663 0.2571 30 TYR I CE2 6384 C CZ . TYR E 30 ? 2.0211 1.5315 1.3914 0.1223 0.0696 0.2786 30 TYR I CZ 6385 O OH . TYR E 30 ? 2.0069 1.5457 1.3602 0.1398 0.0569 0.2853 30 TYR I OH 6386 N N . SER E 31 ? 2.1242 1.5013 1.5720 0.0206 0.1173 0.2260 31 SER I N 6387 C CA . SER E 31 ? 2.1440 1.4744 1.5989 0.0024 0.1253 0.2197 31 SER I CA 6388 C C . SER E 31 ? 2.2690 1.5529 1.7136 0.0210 0.1238 0.2270 31 SER I C 6389 C CB . SER E 31 ? 2.0180 1.3529 1.4855 -0.0073 0.1202 0.1971 31 SER I CB 6390 N N . ASN E 32 ? 2.3030 1.5889 1.7449 0.0474 0.1121 0.2195 32 ASN I N 6391 C CA . ASN E 32 ? 2.2880 1.5340 1.7222 0.0695 0.1102 0.2248 32 ASN I CA 6392 C C . ASN E 32 ? 2.3001 1.4884 1.7367 0.0520 0.1205 0.2189 32 ASN I C 6393 C CB . ASN E 32 ? 2.2283 1.4778 1.6491 0.0874 0.1085 0.2488 32 ASN I CB 6394 C CG . ASN E 32 ? 2.1145 1.4159 1.5330 0.1111 0.0943 0.2507 32 ASN I CG 6395 O OD1 . ASN E 32 ? 2.0354 1.3790 1.4534 0.1031 0.0924 0.2517 32 ASN I OD1 6396 N ND2 . ASN E 32 ? 2.1030 1.4027 1.5217 0.1403 0.0844 0.2500 32 ASN I ND2 6397 N N . ALA E 33 ? 2.2381 1.4234 1.6851 0.0255 0.1242 0.2011 33 ALA I N 6398 C CA . ALA E 33 ? 2.1853 1.3197 1.6370 0.0056 0.1315 0.1895 33 ALA I CA 6399 C C . ALA E 33 ? 2.1554 1.2672 1.6043 0.0220 0.1253 0.1687 33 ALA I C 6400 O O . ALA E 33 ? 2.1759 1.2611 1.6293 0.0032 0.1273 0.1483 33 ALA I O 6401 C CB . ALA E 33 ? 2.1001 1.2462 1.5664 -0.0330 0.1372 0.1797 33 ALA I CB 6402 N N . ASN E 34 ? 2.0314 1.1569 1.4737 0.0570 0.1176 0.1728 34 ASN I N 6403 C CA . ASN E 34 ? 1.8432 0.9560 1.2835 0.0791 0.1128 0.1553 34 ASN I CA 6404 C C . ASN E 34 ? 1.7493 0.8848 1.1934 0.0684 0.1083 0.1337 34 ASN I C 6405 O O . ASN E 34 ? 1.6309 0.7524 1.0721 0.0816 0.1065 0.1155 34 ASN I O 6406 C CB . ASN E 34 ? 1.8456 0.8967 1.2827 0.0794 0.1194 0.1464 34 ASN I CB 6407 C CG . ASN E 34 ? 1.8888 0.9278 1.3223 0.1181 0.1165 0.1476 34 ASN I CG 6408 O OD1 . ASN E 34 ? 2.0048 1.0812 1.4404 0.1425 0.1091 0.1461 34 ASN I OD1 6409 N ND2 . ASN E 34 ? 1.7962 0.7843 1.2270 0.1240 0.1223 0.1506 34 ASN I ND2 6410 N N . THR E 35 ? 1.6815 0.8535 1.1323 0.0459 0.1068 0.1352 35 THR I N 6411 C CA . THR E 35 ? 1.5499 0.7752 1.0217 0.0330 0.0986 0.1124 35 THR I CA 6412 C C . THR E 35 ? 1.4140 0.7059 0.8969 0.0457 0.0897 0.1188 35 THR I C 6413 O O . THR E 35 ? 1.3948 0.6980 0.8710 0.0515 0.0904 0.1390 35 THR I O 6414 C CB . THR E 35 ? 1.5387 0.7675 1.0226 -0.0059 0.1016 0.1034 35 THR I CB 6415 O OG1 . THR E 35 ? 1.6433 0.9007 1.1321 -0.0174 0.1047 0.1213 35 THR I OG1 6416 C CG2 . THR E 35 ? 1.5494 0.7083 1.0228 -0.0226 0.1112 0.1004 35 THR I CG2 6417 N N . VAL E 36 ? 1.3025 0.6371 0.8010 0.0496 0.0814 0.1013 36 VAL I N 6418 C CA . VAL E 36 ? 1.1220 0.5188 0.6353 0.0573 0.0726 0.1037 36 VAL I CA 6419 C C . VAL E 36 ? 1.1225 0.5577 0.6550 0.0348 0.0681 0.0875 36 VAL I C 6420 O O . VAL E 36 ? 1.2080 0.6405 0.7436 0.0305 0.0664 0.0700 36 VAL I O 6421 C CB . VAL E 36 ? 1.0870 0.5031 0.6037 0.0879 0.0667 0.1021 36 VAL I CB 6422 C CG1 . VAL E 36 ? 1.0713 0.5476 0.6042 0.0930 0.0575 0.1060 36 VAL I CG1 6423 C CG2 . VAL E 36 ? 1.1120 0.4876 0.6111 0.1133 0.0701 0.1168 36 VAL I CG2 6424 N N . ILE E 37 ? 1.0735 0.5444 0.6175 0.0226 0.0659 0.0933 37 ILE I N 6425 C CA . ILE E 37 ? 0.9845 0.4933 0.5487 0.0032 0.0611 0.0809 37 ILE I CA 6426 C C . ILE E 37 ? 0.9814 0.5378 0.5600 0.0167 0.0520 0.0770 37 ILE I C 6427 O O . ILE E 37 ? 0.9281 0.4989 0.5054 0.0350 0.0494 0.0861 37 ILE I O 6428 C CB . ILE E 37 ? 0.9039 0.4244 0.4756 -0.0174 0.0657 0.0887 37 ILE I CB 6429 C CG1 . ILE E 37 ? 0.9017 0.3726 0.4591 -0.0303 0.0768 0.0970 37 ILE I CG1 6430 C CG2 . ILE E 37 ? 0.9195 0.4748 0.5142 -0.0375 0.0606 0.0759 37 ILE I CG2 6431 C CD1 . ILE E 37 ? 1.0449 0.5291 0.6100 -0.0502 0.0845 0.1066 37 ILE I CD1 6432 N N . PHE E 38 ? 1.0586 0.6398 0.6510 0.0071 0.0467 0.0638 38 PHE I N 6433 C CA . PHE E 38 ? 0.9421 0.5672 0.5505 0.0155 0.0393 0.0613 38 PHE I CA 6434 C C . PHE E 38 ? 0.9233 0.5789 0.5498 -0.0028 0.0345 0.0555 38 PHE I C 6435 O O . PHE E 38 ? 0.9190 0.5653 0.5454 -0.0198 0.0344 0.0476 38 PHE I O 6436 C CB . PHE E 38 ? 0.8619 0.4869 0.4669 0.0302 0.0382 0.0535 38 PHE I CB 6437 C CG . PHE E 38 ? 0.8428 0.4496 0.4375 0.0533 0.0415 0.0599 38 PHE I CG 6438 C CD1 . PHE E 38 ? 0.8841 0.5199 0.4897 0.0694 0.0372 0.0674 38 PHE I CD1 6439 C CD2 . PHE E 38 ? 0.9033 0.4637 0.4790 0.0590 0.0481 0.0583 38 PHE I CD2 6440 C CE1 . PHE E 38 ? 0.9245 0.5484 0.5235 0.0920 0.0383 0.0740 38 PHE I CE1 6441 C CE2 . PHE E 38 ? 1.0192 0.5630 0.5871 0.0831 0.0505 0.0656 38 PHE I CE2 6442 C CZ . PHE E 38 ? 0.9191 0.4974 0.4993 0.1002 0.0451 0.0739 38 PHE I CZ 6443 N N . ARG E 39 ? 0.8173 0.5092 0.4603 0.0010 0.0296 0.0589 39 ARG I N 6444 C CA . ARG E 39 ? 0.8012 0.5245 0.4642 -0.0112 0.0244 0.0552 39 ARG I CA 6445 C C . ARG E 39 ? 0.8134 0.5649 0.4890 -0.0009 0.0183 0.0545 39 ARG I C 6446 O O . ARG E 39 ? 0.8082 0.5608 0.4811 0.0141 0.0185 0.0576 39 ARG I O 6447 C CB . ARG E 39 ? 0.7803 0.5167 0.4532 -0.0179 0.0269 0.0609 39 ARG I CB 6448 C CG . ARG E 39 ? 0.6985 0.4093 0.3607 -0.0296 0.0355 0.0648 39 ARG I CG 6449 C CD . ARG E 39 ? 0.6850 0.4134 0.3549 -0.0332 0.0404 0.0711 39 ARG I CD 6450 N NE . ARG E 39 ? 0.7586 0.4638 0.4179 -0.0449 0.0513 0.0780 39 ARG I NE 6451 C CZ . ARG E 39 ? 0.6956 0.4010 0.3668 -0.0654 0.0552 0.0748 39 ARG I CZ 6452 N NH1 . ARG E 39 ? 0.7747 0.5035 0.4671 -0.0745 0.0472 0.0645 39 ARG I NH1 6453 N NH2 . ARG E 39 ? 0.8500 0.5333 0.5127 -0.0771 0.0669 0.0828 39 ARG I NH2 6454 N N . PRO E 40 ? 0.7533 0.5285 0.4442 -0.0088 0.0127 0.0515 40 PRO I N 6455 C CA . PRO E 40 ? 0.7831 0.5836 0.4885 -0.0009 0.0081 0.0538 40 PRO I CA 6456 C C . PRO E 40 ? 0.6779 0.4910 0.3951 0.0056 0.0075 0.0580 40 PRO I C 6457 O O . PRO E 40 ? 0.7064 0.5176 0.4239 0.0016 0.0097 0.0590 40 PRO I O 6458 C CB . PRO E 40 ? 0.8767 0.6959 0.5950 -0.0114 0.0021 0.0521 40 PRO I CB 6459 C CG . PRO E 40 ? 0.8507 0.6623 0.5680 -0.0251 0.0028 0.0486 40 PRO I CG 6460 C CD . PRO E 40 ? 0.8381 0.6173 0.5339 -0.0250 0.0096 0.0465 40 PRO I CD 6461 N N . SER E 41 ? 0.7122 0.5399 0.4393 0.0149 0.0048 0.0597 41 SER I N 6462 C CA . SER E 41 ? 0.6668 0.5028 0.4000 0.0231 0.0031 0.0612 41 SER I CA 6463 C C . SER E 41 ? 0.6796 0.5257 0.4232 0.0176 0.0014 0.0596 41 SER I C 6464 O O . SER E 41 ? 0.7807 0.6400 0.5414 0.0116 -0.0012 0.0581 41 SER I O 6465 C CB . SER E 41 ? 0.7438 0.5982 0.4930 0.0299 -0.0003 0.0621 41 SER I CB 6466 O OG . SER E 41 ? 0.7316 0.5953 0.4866 0.0370 -0.0042 0.0613 41 SER I OG 6467 N N . GLY E 42 ? 0.6009 0.4411 0.3329 0.0215 0.0033 0.0602 42 GLY I N 6468 C CA . GLY E 42 ? 0.5850 0.4363 0.3233 0.0193 0.0031 0.0569 42 GLY I CA 6469 C C . GLY E 42 ? 0.6477 0.5158 0.3992 0.0258 -0.0038 0.0521 42 GLY I C 6470 O O . GLY E 42 ? 0.7186 0.5942 0.4713 0.0261 -0.0042 0.0468 42 GLY I O 6471 N N . GLY E 43 ? 0.5244 0.3993 0.2861 0.0303 -0.0088 0.0527 43 GLY I N 6472 C CA . GLY E 43 ? 0.5684 0.4599 0.3476 0.0333 -0.0161 0.0473 43 GLY I CA 6473 C C . GLY E 43 ? 0.7178 0.6176 0.5222 0.0261 -0.0179 0.0446 43 GLY I C 6474 O O . GLY E 43 ? 0.7765 0.6728 0.5844 0.0205 -0.0147 0.0453 43 GLY I O 6475 N N . ASP E 44 ? 0.5671 0.4785 0.3915 0.0262 -0.0233 0.0425 44 ASP I N 6476 C CA . ASP E 44 ? 0.6646 0.5800 0.5143 0.0198 -0.0251 0.0416 44 ASP I CA 6477 C C . ASP E 44 ? 0.6698 0.5933 0.5363 0.0175 -0.0252 0.0485 44 ASP I C 6478 O O . ASP E 44 ? 0.6585 0.5831 0.5150 0.0206 -0.0212 0.0552 44 ASP I O 6479 C CB . ASP E 44 ? 0.6006 0.5196 0.4616 0.0192 -0.0306 0.0293 44 ASP I CB 6480 C CG . ASP E 44 ? 0.7565 0.6860 0.6146 0.0233 -0.0376 0.0221 44 ASP I CG 6481 O OD1 . ASP E 44 ? 0.8175 0.7540 0.6727 0.0270 -0.0382 0.0283 44 ASP I OD1 6482 O OD2 . ASP E 44 ? 0.9623 0.8944 0.8208 0.0238 -0.0429 0.0094 44 ASP I OD2 6483 N N . TRP E 45 ? 0.6910 0.6193 0.5832 0.0120 -0.0285 0.0467 45 TRP I N 6484 C CA . TRP E 45 ? 0.7309 0.6677 0.6411 0.0077 -0.0262 0.0556 45 TRP I CA 6485 C C . TRP E 45 ? 0.7947 0.7489 0.7112 0.0108 -0.0282 0.0531 45 TRP I C 6486 O O . TRP E 45 ? 0.6543 0.6194 0.5794 0.0101 -0.0229 0.0617 45 TRP I O 6487 C CB . TRP E 45 ? 0.5955 0.5286 0.5332 -0.0006 -0.0282 0.0562 45 TRP I CB 6488 C CG . TRP E 45 ? 0.5950 0.5138 0.5314 -0.0014 -0.0262 0.0624 45 TRP I CG 6489 C CD1 . TRP E 45 ? 0.5706 0.4787 0.5156 -0.0011 -0.0295 0.0548 45 TRP I CD1 6490 C CD2 . TRP E 45 ? 0.5439 0.4601 0.4705 -0.0013 -0.0214 0.0767 45 TRP I CD2 6491 N NE1 . TRP E 45 ? 0.5803 0.4810 0.5248 0.0001 -0.0275 0.0650 45 TRP I NE1 6492 C CE2 . TRP E 45 ? 0.6412 0.5472 0.5733 -0.0006 -0.0236 0.0786 45 TRP I CE2 6493 C CE3 . TRP E 45 ? 0.6058 0.5283 0.5187 -0.0006 -0.0158 0.0872 45 TRP I CE3 6494 C CZ2 . TRP E 45 ? 0.6030 0.5071 0.5273 0.0003 -0.0224 0.0914 45 TRP I CZ2 6495 C CZ3 . TRP E 45 ? 0.5995 0.5180 0.5011 -0.0006 -0.0138 0.0983 45 TRP I CZ3 6496 C CH2 . TRP E 45 ? 0.6935 0.6039 0.6010 -0.0004 -0.0182 0.1010 45 TRP I CH2 6497 N N . ARG E 46 ? 0.7509 0.7107 0.6632 0.0151 -0.0358 0.0420 46 ARG I N 6498 C CA . ARG E 46 ? 0.6985 0.6785 0.6171 0.0205 -0.0400 0.0400 46 ARG I CA 6499 C C . ARG E 46 ? 0.6847 0.6641 0.5838 0.0309 -0.0329 0.0489 46 ARG I C 6500 O O . ARG E 46 ? 0.6977 0.6938 0.6102 0.0337 -0.0294 0.0540 46 ARG I O 6501 C CB . ARG E 46 ? 0.6686 0.6541 0.5795 0.0249 -0.0512 0.0270 46 ARG I CB 6502 C CG . ARG E 46 ? 0.7584 0.7708 0.6829 0.0299 -0.0602 0.0232 46 ARG I CG 6503 C CD . ARG E 46 ? 1.0918 1.1073 0.9932 0.0393 -0.0710 0.0142 46 ARG I CD 6504 N NE . ARG E 46 ? 1.3229 1.3369 1.2270 0.0322 -0.0800 -0.0017 46 ARG I NE 6505 C CZ . ARG E 46 ? 1.2411 1.2354 1.1225 0.0323 -0.0771 -0.0072 46 ARG I CZ 6506 N NH1 . ARG E 46 ? 1.2492 1.2247 1.1058 0.0370 -0.0662 0.0028 46 ARG I NH1 6507 N NH2 . ARG E 46 ? 1.0353 1.0294 0.9200 0.0271 -0.0847 -0.0240 46 ARG I NH2 6508 N N . ASP E 47 ? 0.6441 0.6039 0.5129 0.0363 -0.0296 0.0503 47 ASP I N 6509 C CA . ASP E 47 ? 0.5337 0.4854 0.3825 0.0451 -0.0223 0.0569 47 ASP I CA 6510 C C . ASP E 47 ? 0.5706 0.5256 0.4274 0.0416 -0.0135 0.0643 47 ASP I C 6511 O O . ASP E 47 ? 0.5546 0.5187 0.4123 0.0494 -0.0082 0.0676 47 ASP I O 6512 C CB . ASP E 47 ? 0.6871 0.6138 0.5060 0.0462 -0.0192 0.0573 47 ASP I CB 6513 C CG . ASP E 47 ? 0.9355 0.8583 0.7410 0.0500 -0.0252 0.0521 47 ASP I CG 6514 O OD1 . ASP E 47 ? 0.8833 0.8092 0.6964 0.0436 -0.0292 0.0456 47 ASP I OD1 6515 O OD2 . ASP E 47 ? 1.0336 0.9488 0.8193 0.0604 -0.0251 0.0549 47 ASP I OD2 6516 N N . ILE E 48 ? 0.6347 0.5834 0.4964 0.0313 -0.0114 0.0674 48 ILE I N 6517 C CA . ILE E 48 ? 0.6004 0.5517 0.4636 0.0281 -0.0031 0.0761 48 ILE I CA 6518 C C . ILE E 48 ? 0.5786 0.5537 0.4686 0.0269 0.0002 0.0802 48 ILE I C 6519 O O . ILE E 48 ? 0.6813 0.6657 0.5682 0.0322 0.0092 0.0848 48 ILE I O 6520 C CB . ILE E 48 ? 0.6231 0.5643 0.4871 0.0187 -0.0038 0.0805 48 ILE I CB 6521 C CG1 . ILE E 48 ? 0.5131 0.4367 0.3539 0.0194 -0.0058 0.0766 48 ILE I CG1 6522 C CG2 . ILE E 48 ? 0.5453 0.4912 0.4083 0.0158 0.0038 0.0915 48 ILE I CG2 6523 C CD1 . ILE E 48 ? 0.6303 0.5484 0.4745 0.0125 -0.0081 0.0806 48 ILE I CD1 6524 N N . ALA E 49 ? 0.5806 0.5667 0.4986 0.0196 -0.0063 0.0772 49 ALA I N 6525 C CA . ALA E 49 ? 0.5194 0.5296 0.4694 0.0140 -0.0029 0.0816 49 ALA I CA 6526 C C . ALA E 49 ? 0.6487 0.6823 0.6055 0.0246 -0.0012 0.0794 49 ALA I C 6527 O O . ALA E 49 ? 0.6989 0.7551 0.6766 0.0230 0.0073 0.0857 49 ALA I O 6528 C CB . ALA E 49 ? 0.5113 0.5254 0.4904 0.0027 -0.0123 0.0753 49 ALA I CB 6529 N N . ARG E 50 ? 0.7298 0.7598 0.6706 0.0364 -0.0083 0.0717 50 ARG I N 6530 C CA . ARG E 50 ? 0.6414 0.6943 0.5910 0.0494 -0.0088 0.0701 50 ARG I CA 6531 C C . ARG E 50 ? 0.7943 0.8395 0.7213 0.0630 0.0032 0.0747 50 ARG I C 6532 O O . ARG E 50 ? 0.9919 1.0553 0.9267 0.0770 0.0048 0.0742 50 ARG I O 6533 C CB . ARG E 50 ? 0.6303 0.6837 0.5732 0.0571 -0.0235 0.0613 50 ARG I CB 6534 C CG . ARG E 50 ? 0.8155 0.8834 0.7847 0.0446 -0.0361 0.0528 50 ARG I CG 6535 C CD . ARG E 50 ? 0.9969 1.0679 0.9549 0.0523 -0.0515 0.0431 50 ARG I CD 6536 N NE . ARG E 50 ? 1.1225 1.2225 1.0918 0.0663 -0.0580 0.0431 50 ARG I NE 6537 C CZ . ARG E 50 ? 1.2353 1.3477 1.1996 0.0742 -0.0737 0.0360 50 ARG I CZ 6538 N NH1 . ARG E 50 ? 1.2138 1.3113 1.1599 0.0687 -0.0828 0.0271 50 ARG I NH1 6539 N NH2 . ARG E 50 ? 1.3213 1.4627 1.2982 0.0889 -0.0803 0.0378 50 ARG I NH2 6540 N N . CYS E 51 ? 0.7664 0.7864 0.6670 0.0599 0.0111 0.0782 51 CYS I N 6541 C CA . CYS E 51 ? 0.7829 0.7956 0.6627 0.0708 0.0234 0.0801 51 CYS I CA 6542 C C . CYS E 51 ? 0.8324 0.8731 0.7331 0.0704 0.0361 0.0862 51 CYS I C 6543 O O . CYS E 51 ? 0.9687 1.0173 0.8644 0.0845 0.0460 0.0853 51 CYS I O 6544 C CB . CYS E 51 ? 0.9677 0.9488 0.8141 0.0655 0.0262 0.0802 51 CYS I CB 6545 S SG . CYS E 51 ? 1.1250 1.0727 0.9427 0.0690 0.0174 0.0738 51 CYS I SG 6546 N N . GLN E 52 ? 0.8617 0.9166 0.7859 0.0549 0.0373 0.0927 52 GLN I N 6547 C CA . GLN E 52 ? 0.8501 0.9338 0.7975 0.0510 0.0510 0.1013 52 GLN I CA 6548 C C . GLN E 52 ? 0.7787 0.8538 0.6957 0.0568 0.0668 0.1056 52 GLN I C 6549 O O . GLN E 52 ? 0.8621 0.9600 0.7863 0.0652 0.0810 0.1076 52 GLN I O 6550 C CB . GLN E 52 ? 0.8811 1.0019 0.8627 0.0599 0.0518 0.0984 52 GLN I CB 6551 C CG . GLN E 52 ? 0.8778 1.0103 0.8865 0.0552 0.0339 0.0916 52 GLN I CG 6552 C CD . GLN E 52 ? 0.8818 1.0599 0.9329 0.0602 0.0337 0.0902 52 GLN I CD 6553 O OE1 . GLN E 52 ? 0.9624 1.1696 1.0443 0.0515 0.0453 0.0972 52 GLN I OE1 6554 N NE2 . GLN E 52 ? 0.8215 1.0080 0.8749 0.0743 0.0205 0.0822 52 GLN I NE2 6555 N N . ILE E 53 ? 0.8111 0.8557 0.6943 0.0525 0.0642 0.1059 53 ILE I N 6556 C CA . ILE E 53 ? 0.8141 0.8495 0.6642 0.0558 0.0763 0.1084 53 ILE I CA 6557 C C . ILE E 53 ? 0.8650 0.8852 0.7006 0.0420 0.0723 0.1172 53 ILE I C 6558 O O . ILE E 53 ? 0.9804 0.9880 0.7819 0.0433 0.0765 0.1177 53 ILE I O 6559 C CB . ILE E 53 ? 0.7840 0.7953 0.5998 0.0699 0.0760 0.0957 53 ILE I CB 6560 C CG1 . ILE E 53 ? 0.7976 0.7786 0.5977 0.0650 0.0607 0.0898 53 ILE I CG1 6561 C CG2 . ILE E 53 ? 0.6699 0.6943 0.4997 0.0871 0.0799 0.0888 53 ILE I CG2 6562 C CD1 . ILE E 53 ? 0.7390 0.6911 0.5049 0.0749 0.0611 0.0784 53 ILE I CD1 6563 N N . ALA E 54 ? 0.8485 0.8704 0.7100 0.0297 0.0637 0.1237 54 ALA I N 6564 C CA . ALA E 54 ? 0.8772 0.8805 0.7276 0.0199 0.0560 0.1305 54 ALA I CA 6565 C C . ALA E 54 ? 1.0603 1.0698 0.9017 0.0141 0.0663 0.1471 54 ALA I C 6566 O O . ALA E 54 ? 1.3634 1.3600 1.1728 0.0147 0.0646 0.1501 54 ALA I O 6567 C CB . ALA E 54 ? 0.7700 0.7698 0.6509 0.0109 0.0442 0.1302 54 ALA I CB 6568 N N . GLY E 55 ? 0.7819 0.8116 0.6510 0.0076 0.0764 0.1590 55 GLY I N 6569 C CA . GLY E 55 ? 0.7910 0.8230 0.6535 -0.0001 0.0855 0.1791 55 GLY I CA 6570 C C . GLY E 55 ? 0.8654 0.8824 0.7485 -0.0117 0.0755 0.1898 55 GLY I C 6571 O O . GLY E 55 ? 0.9621 0.9706 0.8688 -0.0150 0.0633 0.1802 55 GLY I O 6572 N N . THR E 56 ? 0.8167 0.8290 0.6881 -0.0169 0.0811 0.2102 56 THR I N 6573 C CA . THR E 56 ? 0.8214 0.8171 0.7147 -0.0268 0.0739 0.2234 56 THR I CA 6574 C C . THR E 56 ? 0.7529 0.7256 0.6339 -0.0224 0.0558 0.2162 56 THR I C 6575 O O . THR E 56 ? 0.7502 0.7078 0.6565 -0.0276 0.0470 0.2175 56 THR I O 6576 C CB . THR E 56 ? 0.9322 0.9284 0.8163 -0.0325 0.0861 0.2513 56 THR I CB 6577 O OG1 . THR E 56 ? 1.0801 1.0713 0.9169 -0.0237 0.0837 0.2568 56 THR I OG1 6578 C CG2 . THR E 56 ? 0.9391 0.9624 0.8363 -0.0375 0.1072 0.2595 56 THR I CG2 6579 N N . VAL E 57 ? 0.6945 0.6645 0.5389 -0.0133 0.0505 0.2080 57 VAL I N 6580 C CA . VAL E 57 ? 0.7862 0.7399 0.6213 -0.0101 0.0344 0.2031 57 VAL I CA 6581 C C . VAL E 57 ? 0.7456 0.6941 0.5975 -0.0087 0.0254 0.1815 57 VAL I C 6582 O O . VAL E 57 ? 0.8330 0.7887 0.6803 -0.0051 0.0285 0.1669 57 VAL I O 6583 C CB . VAL E 57 ? 0.8093 0.7643 0.6010 -0.0037 0.0312 0.2025 57 VAL I CB 6584 C CG1 . VAL E 57 ? 0.6933 0.6621 0.4604 -0.0003 0.0451 0.1991 57 VAL I CG1 6585 C CG2 . VAL E 57 ? 0.6671 0.6139 0.4515 -0.0002 0.0170 0.1840 57 VAL I CG2 6586 N N . VAL E 58 ? 0.7420 0.6774 0.6130 -0.0103 0.0150 0.1801 58 VAL I N 6587 C CA . VAL E 58 ? 0.7070 0.6373 0.5913 -0.0089 0.0069 0.1609 58 VAL I CA 6588 C C . VAL E 58 ? 0.6265 0.5534 0.4863 -0.0034 -0.0008 0.1517 58 VAL I C 6589 O O . VAL E 58 ? 0.7251 0.6480 0.5785 -0.0019 -0.0075 0.1591 58 VAL I O 6590 C CB . VAL E 58 ? 0.7050 0.6228 0.6207 -0.0126 0.0011 0.1617 58 VAL I CB 6591 C CG1 . VAL E 58 ? 0.6102 0.5236 0.5326 -0.0097 -0.0068 0.1415 58 VAL I CG1 6592 C CG2 . VAL E 58 ? 0.7170 0.6376 0.6605 -0.0214 0.0083 0.1682 58 VAL I CG2 6593 N N . SER E 59 ? 0.5566 0.4856 0.4043 -0.0005 -0.0002 0.1364 59 SER I N 6594 C CA . SER E 59 ? 0.5974 0.5221 0.4232 0.0019 -0.0058 0.1273 59 SER I CA 6595 C C . SER E 59 ? 0.7154 0.6357 0.5427 0.0037 -0.0066 0.1113 59 SER I C 6596 O O . SER E 59 ? 0.6981 0.6215 0.5373 0.0050 -0.0031 0.1071 59 SER I O 6597 C CB . SER E 59 ? 0.6204 0.5482 0.4138 0.0035 -0.0019 0.1290 59 SER I CB 6598 O OG . SER E 59 ? 0.7683 0.6994 0.5542 0.0068 0.0081 0.1239 59 SER I OG 6599 N N . THR E 60 ? 0.5475 0.4623 0.3635 0.0033 -0.0117 0.1033 60 THR I N 6600 C CA . THR E 60 ? 0.5964 0.5044 0.4072 0.0047 -0.0112 0.0909 60 THR I CA 6601 C C . THR E 60 ? 0.7208 0.6210 0.5042 0.0041 -0.0096 0.0853 60 THR I C 6602 O O . THR E 60 ? 0.6058 0.5079 0.3759 0.0013 -0.0119 0.0883 60 THR I O 6603 C CB . THR E 60 ? 0.6246 0.5315 0.4495 0.0030 -0.0163 0.0857 60 THR I CB 6604 O OG1 . THR E 60 ? 0.6165 0.5265 0.4387 -0.0003 -0.0212 0.0878 60 THR I OG1 6605 C CG2 . THR E 60 ? 0.5878 0.4978 0.4389 0.0038 -0.0181 0.0880 60 THR I CG2 6606 N N . GLN E 61 ? 0.5379 0.4280 0.3122 0.0069 -0.0062 0.0771 61 GLN I N 6607 C CA . GLN E 61 ? 0.6062 0.4814 0.3560 0.0058 -0.0040 0.0701 61 GLN I CA 6608 C C . GLN E 61 ? 0.7960 0.6689 0.5267 0.0098 0.0012 0.0700 61 GLN I C 6609 O O . GLN E 61 ? 0.7426 0.6030 0.4593 0.0161 0.0072 0.0646 61 GLN I O 6610 C CB . GLN E 61 ? 0.5974 0.4714 0.3446 -0.0036 -0.0098 0.0671 61 GLN I CB 6611 C CG . GLN E 61 ? 0.6030 0.4819 0.3691 -0.0068 -0.0125 0.0664 61 GLN I CG 6612 C CD . GLN E 61 ? 0.7919 0.6682 0.5546 -0.0164 -0.0148 0.0611 61 GLN I CD 6613 O OE1 . GLN E 61 ? 0.7475 0.6163 0.4936 -0.0220 -0.0161 0.0568 61 GLN I OE1 6614 N NE2 . GLN E 61 ? 0.9099 0.7935 0.6893 -0.0190 -0.0148 0.0602 61 GLN I NE2 6615 N N . LEU E 62 ? 0.6047 0.4889 0.3330 0.0073 -0.0006 0.0764 62 LEU I N 6616 C CA . LEU E 62 ? 0.7677 0.6530 0.4749 0.0112 0.0055 0.0766 62 LEU I CA 6617 C C . LEU E 62 ? 0.7672 0.6700 0.4887 0.0147 0.0110 0.0890 62 LEU I C 6618 O O . LEU E 62 ? 0.8000 0.7121 0.5417 0.0108 0.0065 0.0989 62 LEU I O 6619 C CB . LEU E 62 ? 0.7659 0.6511 0.4518 0.0047 -0.0009 0.0744 62 LEU I CB 6620 C CG . LEU E 62 ? 0.8154 0.6852 0.4905 -0.0026 -0.0068 0.0617 62 LEU I CG 6621 C CD1 . LEU E 62 ? 0.8507 0.7289 0.5132 -0.0107 -0.0172 0.0603 62 LEU I CD1 6622 C CD2 . LEU E 62 ? 0.9227 0.7706 0.5763 0.0020 0.0013 0.0496 62 LEU I CD2 6623 N N . PHE E 63 ? 0.6725 0.5789 0.3853 0.0220 0.0218 0.0883 63 PHE I N 6624 C CA . PHE E 63 ? 0.7032 0.6285 0.4287 0.0236 0.0298 0.1007 63 PHE I CA 6625 C C . PHE E 63 ? 0.8160 0.7466 0.5162 0.0218 0.0326 0.1076 63 PHE I C 6626 O O . PHE E 63 ? 0.9959 0.9199 0.6651 0.0257 0.0366 0.0983 63 PHE I O 6627 C CB . PHE E 63 ? 0.6711 0.6043 0.4042 0.0331 0.0411 0.0972 63 PHE I CB 6628 C CG . PHE E 63 ? 0.7673 0.7020 0.5276 0.0353 0.0369 0.0939 63 PHE I CG 6629 C CD1 . PHE E 63 ? 0.8059 0.7550 0.5984 0.0298 0.0341 0.1019 63 PHE I CD1 6630 C CD2 . PHE E 63 ? 0.8058 0.7257 0.5577 0.0426 0.0351 0.0829 63 PHE I CD2 6631 C CE1 . PHE E 63 ? 0.8795 0.8317 0.6937 0.0315 0.0284 0.0969 63 PHE I CE1 6632 C CE2 . PHE E 63 ? 0.8382 0.7612 0.6105 0.0456 0.0300 0.0810 63 PHE I CE2 6633 C CZ . PHE E 63 ? 0.8249 0.7656 0.6276 0.0401 0.0261 0.0869 63 PHE I CZ 6634 N N . LEU E 64 ? 0.8196 0.7601 0.5307 0.0164 0.0300 0.1236 64 LEU I N 6635 C CA . LEU E 64 ? 0.7535 0.7009 0.4396 0.0154 0.0319 0.1346 64 LEU I CA 6636 C C . LEU E 64 ? 0.7269 0.6903 0.4189 0.0172 0.0479 0.1483 64 LEU I C 6637 O O . LEU E 64 ? 0.7542 0.7244 0.4806 0.0139 0.0514 0.1577 64 LEU I O 6638 C CB . LEU E 64 ? 0.7182 0.6652 0.4118 0.0098 0.0187 0.1469 64 LEU I CB 6639 C CG . LEU E 64 ? 0.8292 0.7699 0.5068 0.0073 0.0034 0.1376 64 LEU I CG 6640 C CD1 . LEU E 64 ? 0.7575 0.6862 0.4215 0.0079 0.0034 0.1155 64 LEU I CD1 6641 C CD2 . LEU E 64 ? 0.8166 0.7558 0.5248 0.0042 -0.0080 0.1429 64 LEU I CD2 6642 N N . ASN E 65 ? 0.7442 0.7142 0.4028 0.0218 0.0582 0.1485 65 ASN I N 6643 C CA . ASN E 65 ? 0.7803 0.7687 0.4394 0.0225 0.0755 0.1648 65 ASN I CA 6644 C C . ASN E 65 ? 0.7041 0.7054 0.4013 0.0240 0.0874 0.1642 65 ASN I C 6645 O O . ASN E 65 ? 0.9192 0.9351 0.6416 0.0183 0.0966 0.1812 65 ASN I O 6646 C CB . ASN E 65 ? 0.8201 0.8114 0.4846 0.0152 0.0717 0.1896 65 ASN I CB 6647 C CG . ASN E 65 ? 0.6912 0.6779 0.3152 0.0159 0.0610 0.1937 65 ASN I CG 6648 N ND2 . ASN E 65 ? 0.7798 0.7685 0.4062 0.0121 0.0580 0.2178 65 ASN I ND2 6649 N N . GLY E 66 ? 0.7066 0.7026 0.4095 0.0311 0.0865 0.1452 66 GLY I N 6650 C CA . GLY E 66 ? 0.7488 0.7594 0.4883 0.0343 0.0939 0.1426 66 GLY I CA 6651 C C . GLY E 66 ? 0.8310 0.8566 0.5601 0.0466 0.1118 0.1354 66 GLY I C 6652 O O . GLY E 66 ? 0.8132 0.8406 0.5072 0.0513 0.1223 0.1352 66 GLY I O 6653 N N . SER E 67 ? 0.9667 1.0045 0.7267 0.0533 0.1149 0.1287 67 SER I N 6654 C CA . SER E 67 ? 0.9167 0.9713 0.6742 0.0681 0.1319 0.1212 67 SER I CA 6655 C C . SER E 67 ? 0.9508 0.9786 0.6709 0.0812 0.1298 0.1017 67 SER I C 6656 O O . SER E 67 ? 1.0451 1.0472 0.7605 0.0808 0.1144 0.0923 67 SER I O 6657 C CB . SER E 67 ? 0.8402 0.9191 0.6455 0.0725 0.1332 0.1203 67 SER I CB 6658 O OG . SER E 67 ? 0.9811 1.0774 0.8248 0.0568 0.1298 0.1347 67 SER I OG 6659 N N . LEU E 68 ? 0.9062 0.9392 0.5994 0.0926 0.1465 0.0953 68 LEU I N 6660 C CA . LEU E 68 ? 0.9285 0.9343 0.5865 0.1060 0.1473 0.0747 68 LEU I CA 6661 C C . LEU E 68 ? 0.9504 0.9666 0.6277 0.1260 0.1588 0.0654 68 LEU I C 6662 O O . LEU E 68 ? 0.9747 1.0277 0.6849 0.1308 0.1717 0.0741 68 LEU I O 6663 C CB . LEU E 68 ? 0.9531 0.9536 0.5623 0.1070 0.1571 0.0698 68 LEU I CB 6664 C CG . LEU E 68 ? 0.9385 0.9201 0.5171 0.0918 0.1413 0.0723 68 LEU I CG 6665 C CD1 . LEU E 68 ? 0.9493 0.9325 0.4784 0.0942 0.1515 0.0679 68 LEU I CD1 6666 C CD2 . LEU E 68 ? 0.9038 0.8495 0.4740 0.0891 0.1228 0.0571 68 LEU I CD2 6667 N N . ALA E 69 ? 0.9979 0.9814 0.6563 0.1378 0.1541 0.0481 69 ALA I N 6668 C CA . ALA E 69 ? 1.0556 1.0432 0.7289 0.1604 0.1638 0.0390 69 ALA I CA 6669 C C . ALA E 69 ? 1.2040 1.2063 0.8584 0.1756 0.1877 0.0310 69 ALA I C 6670 O O . ALA E 69 ? 1.3165 1.3138 0.9331 0.1696 0.1947 0.0277 69 ALA I O 6671 C CB . ALA E 69 ? 1.1506 1.0923 0.8067 0.1685 0.1524 0.0248 69 ALA I CB 6672 N N . GLU E 70 ? 1.3692 1.3916 1.0498 0.1969 0.2001 0.0275 70 GLU I N 6673 C CA . GLU E 70 ? 1.4813 1.5281 1.1538 0.2134 0.2260 0.0213 70 GLU I CA 6674 C C . GLU E 70 ? 1.3651 1.3701 0.9856 0.2275 0.2332 -0.0023 70 GLU I C 6675 O O . GLU E 70 ? 1.4249 1.4360 1.0114 0.2291 0.2494 -0.0089 70 GLU I O 6676 C CB . GLU E 70 ? 1.6361 1.7224 1.3594 0.2330 0.2363 0.0248 70 GLU I CB 6677 C CG . GLU E 70 ? 1.7063 1.8265 1.4843 0.2196 0.2230 0.0432 70 GLU I CG 6678 C CD . GLU E 70 ? 1.7402 1.8300 1.5267 0.2189 0.1977 0.0417 70 GLU I CD 6679 O OE1 . GLU E 70 ? 1.7220 1.7809 1.4945 0.2389 0.1953 0.0292 70 GLU I OE1 6680 O OE2 . GLU E 70 ? 1.7362 1.8311 1.5415 0.1988 0.1811 0.0533 70 GLU I OE2 6681 N N . GLU E 71 ? 1.2189 1.1798 0.8308 0.2373 0.2215 -0.0154 71 GLU I N 6682 C CA . GLU E 71 ? 1.3416 1.2575 0.9080 0.2510 0.2281 -0.0401 71 GLU I CA 6683 C C . GLU E 71 ? 1.3651 1.2241 0.9071 0.2388 0.2068 -0.0488 71 GLU I C 6684 O O . GLU E 71 ? 1.3877 1.2165 0.8855 0.2279 0.2035 -0.0628 71 GLU I O 6685 C CB . GLU E 71 ? 1.4389 1.3567 1.0221 0.2842 0.2440 -0.0507 71 GLU I CB 6686 C CG . GLU E 71 ? 1.5571 1.4132 1.1030 0.3001 0.2449 -0.0758 71 GLU I CG 6687 C CD . GLU E 71 ? 1.7494 1.5837 1.2389 0.2965 0.2556 -0.0973 71 GLU I CD 6688 O OE1 . GLU E 71 ? 1.8154 1.5998 1.2735 0.3099 0.2591 -0.1213 71 GLU I OE1 6689 O OE2 . GLU E 71 ? 1.8273 1.6929 1.3022 0.2804 0.2601 -0.0903 71 GLU I OE2 6690 N N . GLU E 72 ? 1.3325 1.1783 0.9026 0.2402 0.1924 -0.0406 72 GLU I N 6691 C CA . GLU E 72 ? 1.3271 1.1210 0.8797 0.2293 0.1745 -0.0461 72 GLU I CA 6692 C C . GLU E 72 ? 1.3376 1.1452 0.9132 0.2066 0.1554 -0.0272 72 GLU I C 6693 O O . GLU E 72 ? 1.3015 1.1533 0.9126 0.2040 0.1547 -0.0105 72 GLU I O 6694 C CB . GLU E 72 ? 1.4465 1.2056 1.0067 0.2524 0.1749 -0.0523 72 GLU I CB 6695 C CG . GLU E 72 ? 1.6652 1.3890 1.1954 0.2739 0.1906 -0.0758 72 GLU I CG 6696 C CD . GLU E 72 ? 1.7831 1.4736 1.3259 0.2997 0.1911 -0.0776 72 GLU I CD 6697 O OE1 . GLU E 72 ? 1.7343 1.4428 1.3123 0.3044 0.1815 -0.0589 72 GLU I OE1 6698 O OE2 . GLU E 72 ? 1.8856 1.5303 1.4016 0.3156 0.2006 -0.0978 72 GLU I OE2 6699 N N . VAL E 73 ? 1.2399 1.0089 0.7964 0.1899 0.1405 -0.0312 73 VAL I N 6700 C CA . VAL E 73 ? 1.0939 0.8701 0.6723 0.1723 0.1234 -0.0154 73 VAL I CA 6701 C C . VAL E 73 ? 1.0334 0.8169 0.6446 0.1879 0.1206 -0.0051 73 VAL I C 6702 O O . VAL E 73 ? 1.1712 0.9262 0.7774 0.2072 0.1247 -0.0117 73 VAL I O 6703 C CB . VAL E 73 ? 1.0393 0.7735 0.5929 0.1534 0.1104 -0.0227 73 VAL I CB 6704 C CG1 . VAL E 73 ? 1.3601 1.0425 0.8873 0.1645 0.1154 -0.0408 73 VAL I CG1 6705 C CG2 . VAL E 73 ? 0.8697 0.6046 0.4463 0.1417 0.0956 -0.0083 73 VAL I CG2 6706 N N . VAL E 74 ? 0.8340 0.6559 0.4784 0.1806 0.1134 0.0109 74 VAL I N 6707 C CA . VAL E 74 ? 0.9029 0.7425 0.5803 0.1942 0.1085 0.0209 74 VAL I CA 6708 C C . VAL E 74 ? 0.8518 0.6910 0.5403 0.1766 0.0911 0.0314 74 VAL I C 6709 O O . VAL E 74 ? 0.9302 0.7863 0.6238 0.1565 0.0860 0.0365 74 VAL I O 6710 C CB . VAL E 74 ? 0.9086 0.8033 0.6213 0.2041 0.1179 0.0276 74 VAL I CB 6711 C CG1 . VAL E 74 ? 1.0669 0.9906 0.7826 0.1844 0.1219 0.0328 74 VAL I CG1 6712 C CG2 . VAL E 74 ? 0.7702 0.6919 0.5209 0.2093 0.1064 0.0390 74 VAL I CG2 6713 N N . ILE E 75 ? 0.8576 0.6761 0.5477 0.1855 0.0829 0.0349 75 ILE I N 6714 C CA . ILE E 75 ? 0.7816 0.5990 0.4789 0.1720 0.0680 0.0439 75 ILE I CA 6715 C C . ILE E 75 ? 0.8305 0.6814 0.5594 0.1847 0.0609 0.0531 75 ILE I C 6716 O O . ILE E 75 ? 0.8471 0.7045 0.5855 0.2080 0.0650 0.0534 75 ILE I O 6717 C CB . ILE E 75 ? 0.8378 0.6032 0.5067 0.1686 0.0637 0.0418 75 ILE I CB 6718 C CG1 . ILE E 75 ? 0.8598 0.5989 0.5220 0.1939 0.0674 0.0422 75 ILE I CG1 6719 C CG2 . ILE E 75 ? 0.8649 0.6009 0.5059 0.1538 0.0685 0.0304 75 ILE I CG2 6720 C CD1 . ILE E 75 ? 0.9599 0.6470 0.5970 0.1901 0.0639 0.0441 75 ILE I CD1 6721 N N . ARG E 76 ? 0.8229 0.6961 0.5688 0.1700 0.0496 0.0596 76 ARG I N 6722 C CA . ARG E 76 ? 0.7503 0.6574 0.5254 0.1787 0.0398 0.0661 76 ARG I CA 6723 C C . ARG E 76 ? 0.8064 0.7061 0.5768 0.1662 0.0256 0.0703 76 ARG I C 6724 O O . ARG E 76 ? 0.7239 0.6045 0.4789 0.1479 0.0246 0.0688 76 ARG I O 6725 C CB . ARG E 76 ? 0.8147 0.7727 0.6265 0.1739 0.0427 0.0673 76 ARG I CB 6726 C CG . ARG E 76 ? 0.8676 0.8456 0.6920 0.1917 0.0572 0.0647 76 ARG I CG 6727 C CD . ARG E 76 ? 0.9007 0.9297 0.7628 0.1827 0.0620 0.0678 76 ARG I CD 6728 N NE . ARG E 76 ? 1.1552 1.1789 1.0049 0.1636 0.0711 0.0678 76 ARG I NE 6729 C CZ . ARG E 76 ? 1.2297 1.2621 1.0739 0.1670 0.0885 0.0659 76 ARG I CZ 6730 N NH1 . ARG E 76 ? 1.1806 1.2283 1.0338 0.1891 0.1004 0.0624 76 ARG I NH1 6731 N NH2 . ARG E 76 ? 1.1248 1.1519 0.9539 0.1497 0.0943 0.0679 76 ARG I NH2 6732 N N . SER E 77 ? 0.7244 0.6420 0.5081 0.1776 0.0146 0.0751 77 SER I N 6733 C CA . SER E 77 ? 0.6914 0.6085 0.4707 0.1678 0.0013 0.0779 77 SER I CA 6734 C C . SER E 77 ? 0.7107 0.6667 0.5152 0.1790 -0.0118 0.0803 77 SER I C 6735 O O . SER E 77 ? 0.7594 0.7307 0.5762 0.2000 -0.0119 0.0829 77 SER I O 6736 C CB . SER E 77 ? 0.7191 0.5904 0.4618 0.1705 0.0009 0.0821 77 SER I CB 6737 O OG . SER E 77 ? 0.6559 0.5345 0.3947 0.1687 -0.0117 0.0861 77 SER I OG 6738 N N . GLU E 78 ? 0.6805 0.6531 0.4930 0.1654 -0.0236 0.0783 78 GLU I N 6739 C CA . GLU E 78 ? 0.6580 0.6675 0.4916 0.1734 -0.0392 0.0781 78 GLU I CA 6740 C C . GLU E 78 ? 0.8502 0.8440 0.6584 0.1941 -0.0475 0.0859 78 GLU I C 6741 O O . GLU E 78 ? 0.8224 0.8468 0.6470 0.2105 -0.0592 0.0882 78 GLU I O 6742 C CB . GLU E 78 ? 0.8070 0.8323 0.6513 0.1527 -0.0492 0.0710 78 GLU I CB 6743 C CG . GLU E 78 ? 0.9597 1.0283 0.8310 0.1557 -0.0667 0.0664 78 GLU I CG 6744 N N . ASP E 79 ? 0.8136 0.7606 0.5830 0.1936 -0.0416 0.0911 79 ASP I N 6745 C CA . ASP E 79 ? 0.7666 0.6911 0.5069 0.2121 -0.0472 0.1020 79 ASP I CA 6746 C C . ASP E 79 ? 0.8741 0.7425 0.5791 0.2077 -0.0336 0.1072 79 ASP I C 6747 O O . ASP E 79 ? 0.9793 0.8306 0.6676 0.1890 -0.0309 0.1056 79 ASP I O 6748 C CB . ASP E 79 ? 0.7463 0.6876 0.4771 0.2089 -0.0632 0.1025 79 ASP I CB 6749 C CG . ASP E 79 ? 0.8801 0.8041 0.5803 0.2304 -0.0706 0.1166 79 ASP I CG 6750 O OD1 . ASP E 79 ? 0.8635 0.7532 0.5477 0.2459 -0.0617 0.1268 79 ASP I OD1 6751 O OD2 . ASP E 79 ? 0.9407 0.8837 0.6308 0.2323 -0.0855 0.1174 79 ASP I OD2 6752 N N . TRP E 80 ? 0.9074 0.7478 0.6028 0.2249 -0.0249 0.1124 80 TRP I N 6753 C CA . TRP E 80 ? 0.9012 0.6864 0.5665 0.2184 -0.0118 0.1151 80 TRP I CA 6754 C C . TRP E 80 ? 0.8914 0.6471 0.5237 0.2153 -0.0145 0.1267 80 TRP I C 6755 O O . TRP E 80 ? 0.9113 0.6298 0.5231 0.1995 -0.0047 0.1273 80 TRP I O 6756 C CB . TRP E 80 ? 0.9086 0.6664 0.5697 0.2397 -0.0026 0.1170 80 TRP I CB 6757 C CG . TRP E 80 ? 0.9167 0.7002 0.6053 0.2426 0.0043 0.1055 80 TRP I CG 6758 C CD1 . TRP E 80 ? 0.8734 0.6952 0.5907 0.2629 0.0013 0.1049 80 TRP I CD1 6759 C CD2 . TRP E 80 ? 0.9677 0.7438 0.6573 0.2246 0.0159 0.0936 80 TRP I CD2 6760 N NE1 . TRP E 80 ? 0.9626 0.8004 0.6979 0.2582 0.0126 0.0939 80 TRP I NE1 6761 C CE2 . TRP E 80 ? 1.0038 0.8131 0.7200 0.2352 0.0211 0.0871 80 TRP I CE2 6762 C CE3 . TRP E 80 ? 0.9677 0.7153 0.6387 0.2008 0.0220 0.0883 80 TRP I CE3 6763 C CZ2 . TRP E 80 ? 0.9637 0.7759 0.6833 0.2234 0.0326 0.0765 80 TRP I CZ2 6764 C CZ3 . TRP E 80 ? 1.0173 0.7691 0.6933 0.1896 0.0309 0.0770 80 TRP I CZ3 6765 C CH2 . TRP E 80 ? 1.0037 0.7863 0.7012 0.2011 0.0364 0.0717 80 TRP I CH2 6766 N N . ARG E 81 ? 0.8058 0.5796 0.4325 0.2296 -0.0275 0.1360 81 ARG I N 6767 C CA . ARG E 81 ? 0.9274 0.6751 0.5187 0.2308 -0.0295 0.1501 81 ARG I CA 6768 C C . ARG E 81 ? 0.9758 0.7406 0.5607 0.2089 -0.0328 0.1448 81 ARG I C 6769 O O . ARG E 81 ? 1.1047 0.8516 0.6586 0.2078 -0.0324 0.1559 81 ARG I O 6770 C CB . ARG E 81 ? 0.8797 0.6399 0.4633 0.2596 -0.0434 0.1638 81 ARG I CB 6771 C CG . ARG E 81 ? 0.8771 0.6071 0.4571 0.2861 -0.0389 0.1744 81 ARG I CG 6772 C CD . ARG E 81 ? 0.9122 0.6557 0.4873 0.3081 -0.0520 0.1875 81 ARG I CD 6773 N N . ASP E 82 ? 0.7882 0.5853 0.4006 0.1923 -0.0347 0.1290 82 ASP I N 6774 C CA . ASP E 82 ? 0.7943 0.6093 0.4055 0.1738 -0.0379 0.1214 82 ASP I CA 6775 C C . ASP E 82 ? 0.7336 0.5318 0.3505 0.1510 -0.0246 0.1137 82 ASP I C 6776 O O . ASP E 82 ? 0.7349 0.5494 0.3790 0.1429 -0.0233 0.1032 82 ASP I O 6777 C CB . ASP E 82 ? 0.9031 0.7685 0.5442 0.1738 -0.0527 0.1094 82 ASP I CB 6778 C CG . ASP E 82 ? 1.0253 0.9069 0.6632 0.1578 -0.0572 0.0996 82 ASP I CG 6779 O OD1 . ASP E 82 ? 0.8880 0.7478 0.5109 0.1433 -0.0463 0.0993 82 ASP I OD1 6780 O OD2 . ASP E 82 ? 1.0927 1.0101 0.7452 0.1597 -0.0719 0.0908 82 ASP I OD2 6781 N N . ASN E 83 ? 0.7509 0.5193 0.3427 0.1403 -0.0149 0.1198 83 ASN I N 6782 C CA . ASN E 83 ? 0.6935 0.4497 0.2928 0.1189 -0.0039 0.1126 83 ASN I CA 6783 C C . ASN E 83 ? 0.8647 0.6541 0.4870 0.1049 -0.0082 0.0994 83 ASN I C 6784 O O . ASN E 83 ? 0.9541 0.7396 0.5862 0.0887 -0.0014 0.0934 83 ASN I O 6785 C CB . ASN E 83 ? 0.7515 0.4727 0.3238 0.1091 0.0079 0.1223 83 ASN I CB 6786 C CG . ASN E 83 ? 0.8389 0.5719 0.3940 0.1056 0.0072 0.1262 83 ASN I CG 6787 O OD1 . ASN E 83 ? 1.0097 0.7756 0.5771 0.1026 0.0000 0.1158 83 ASN I OD1 6788 N ND2 . ASN E 83 ? 0.8658 0.5695 0.3912 0.1055 0.0163 0.1410 83 ASN I ND2 6789 N N . ALA E 84 ? 0.7943 0.6156 0.4261 0.1111 -0.0202 0.0942 84 ALA I N 6790 C CA . ALA E 84 ? 0.8431 0.6922 0.4995 0.0992 -0.0249 0.0807 84 ALA I CA 6791 C C . ALA E 84 ? 0.7789 0.6494 0.4680 0.0998 -0.0298 0.0742 84 ALA I C 6792 O O . ALA E 84 ? 0.7194 0.6089 0.4314 0.0893 -0.0329 0.0646 84 ALA I O 6793 C CB . ALA E 84 ? 0.6178 0.4875 0.2659 0.1026 -0.0349 0.0757 84 ALA I CB 6794 N N . LYS E 85 ? 0.7342 0.6015 0.4266 0.1122 -0.0294 0.0797 85 LYS I N 6795 C CA . LYS E 85 ? 0.6809 0.5677 0.4030 0.1120 -0.0296 0.0751 85 LYS I CA 6796 C C . LYS E 85 ? 0.7349 0.5987 0.4533 0.1055 -0.0172 0.0760 85 LYS I C 6797 O O . LYS E 85 ? 0.7205 0.5532 0.4161 0.1102 -0.0102 0.0816 85 LYS I O 6798 C CB . LYS E 85 ? 0.6443 0.5493 0.3765 0.1312 -0.0362 0.0786 85 LYS I CB 6799 C CG . LYS E 85 ? 0.7686 0.7053 0.5104 0.1367 -0.0521 0.0752 85 LYS I CG 6800 C CD . LYS E 85 ? 0.7455 0.7066 0.5130 0.1194 -0.0572 0.0632 85 LYS I CD 6801 C CE . LYS E 85 ? 0.8599 0.8535 0.6387 0.1234 -0.0746 0.0562 85 LYS I CE 6802 N NZ . LYS E 85 ? 1.0607 1.0876 0.8705 0.1335 -0.0815 0.0567 85 LYS I NZ 6803 N N . SER E 86 ? 0.6857 0.5633 0.4253 0.0943 -0.0148 0.0707 86 SER I N 6804 C CA . SER E 86 ? 0.7165 0.5762 0.4503 0.0871 -0.0050 0.0703 86 SER I CA 6805 C C . SER E 86 ? 0.7424 0.5996 0.4764 0.1001 0.0008 0.0715 86 SER I C 6806 O O . SER E 86 ? 0.6771 0.5547 0.4252 0.1136 -0.0024 0.0729 86 SER I O 6807 C CB . SER E 86 ? 0.7702 0.6449 0.5228 0.0720 -0.0050 0.0664 86 SER I CB 6808 O OG . SER E 86 ? 0.7663 0.6374 0.5163 0.0614 -0.0078 0.0643 86 SER I OG 6809 N N . ILE E 87 ? 0.7553 0.5887 0.4741 0.0963 0.0094 0.0697 87 ILE I N 6810 C CA . ILE E 87 ? 0.8392 0.6637 0.5524 0.1088 0.0173 0.0681 87 ILE I CA 6811 C C . ILE E 87 ? 0.8299 0.6683 0.5515 0.0995 0.0227 0.0639 87 ILE I C 6812 O O . ILE E 87 ? 0.8425 0.6679 0.5529 0.0854 0.0239 0.0610 87 ILE I O 6813 C CB . ILE E 87 ? 0.9020 0.6824 0.5859 0.1124 0.0229 0.0675 87 ILE I CB 6814 C CG1 . ILE E 87 ? 0.9113 0.6781 0.5851 0.1223 0.0181 0.0757 87 ILE I CG1 6815 C CG2 . ILE E 87 ? 0.7916 0.5595 0.4684 0.1260 0.0320 0.0626 87 ILE I CG2 6816 C CD1 . ILE E 87 ? 0.9114 0.6305 0.5573 0.1237 0.0241 0.0781 87 ILE I CD1 6817 N N . CYS E 88 ? 0.8306 0.6986 0.5731 0.1069 0.0255 0.0647 88 CYS I N 6818 C CA . CYS E 88 ? 0.8633 0.7466 0.6121 0.0994 0.0323 0.0637 88 CYS I CA 6819 C C . CYS E 88 ? 0.8270 0.6909 0.5532 0.1082 0.0434 0.0578 88 CYS I C 6820 O O . CYS E 88 ? 0.8916 0.7536 0.6176 0.1263 0.0489 0.0560 88 CYS I O 6821 C CB . CYS E 88 ? 1.0509 0.9747 0.8330 0.1020 0.0331 0.0679 88 CYS I CB 6822 S SG . CYS E 88 ? 1.5216 1.4671 1.3314 0.0934 0.0189 0.0707 88 CYS I SG 6823 N N . VAL E 89 ? 0.6727 0.5226 0.3797 0.0964 0.0460 0.0537 89 VAL I N 6824 C CA . VAL E 89 ? 0.8064 0.6367 0.4876 0.1022 0.0556 0.0447 89 VAL I CA 6825 C C . VAL E 89 ? 0.8134 0.6693 0.4965 0.0984 0.0629 0.0462 89 VAL I C 6826 O O . VAL E 89 ? 0.7653 0.6298 0.4486 0.0831 0.0581 0.0506 89 VAL I O 6827 C CB . VAL E 89 ? 0.7908 0.5843 0.4448 0.0908 0.0517 0.0372 89 VAL I CB 6828 C CG1 . VAL E 89 ? 0.9727 0.7442 0.5985 0.0959 0.0605 0.0245 89 VAL I CG1 6829 C CG2 . VAL E 89 ? 0.6503 0.4187 0.3026 0.0929 0.0464 0.0391 89 VAL I CG2 6830 N N . GLN E 90 ? 0.8673 0.7369 0.5526 0.1133 0.0753 0.0440 90 GLN I N 6831 C CA . GLN E 90 ? 0.8642 0.7583 0.5475 0.1110 0.0858 0.0464 90 GLN I CA 6832 C C . GLN E 90 ? 0.8244 0.6956 0.4693 0.1166 0.0949 0.0328 90 GLN I C 6833 O O . GLN E 90 ? 0.8201 0.6738 0.4551 0.1334 0.1025 0.0225 90 GLN I O 6834 C CB . GLN E 90 ? 0.7616 0.6940 0.4768 0.1222 0.0957 0.0533 90 GLN I CB 6835 C CG . GLN E 90 ? 0.7055 0.6666 0.4223 0.1163 0.1076 0.0604 90 GLN I CG 6836 C CD . GLN E 90 ? 0.8422 0.8452 0.5966 0.1243 0.1185 0.0681 90 GLN I CD 6837 O OE1 . GLN E 90 ? 1.0013 1.0120 0.7665 0.1430 0.1253 0.0622 90 GLN I OE1 6838 N NE2 . GLN E 90 ? 0.7839 0.8148 0.5613 0.1101 0.1201 0.0817 90 GLN I NE2 6839 N N . LEU E 91 ? 0.7583 0.6287 0.3807 0.1036 0.0935 0.0321 91 LEU I N 6840 C CA . LEU E 91 ? 0.8797 0.7298 0.4620 0.1070 0.1002 0.0169 91 LEU I CA 6841 C C . LEU E 91 ? 0.9388 0.8137 0.5155 0.1202 0.1193 0.0163 91 LEU I C 6842 O O . LEU E 91 ? 0.9719 0.8835 0.5739 0.1196 0.1259 0.0312 91 LEU I O 6843 C CB . LEU E 91 ? 0.9561 0.8003 0.5152 0.0885 0.0892 0.0162 91 LEU I CB 6844 C CG . LEU E 91 ? 0.9464 0.7596 0.4957 0.0756 0.0737 0.0080 91 LEU I CG 6845 C CD1 . LEU E 91 ? 0.9374 0.7337 0.5090 0.0794 0.0698 0.0095 91 LEU I CD1 6846 C CD2 . LEU E 91 ? 0.9314 0.7609 0.4862 0.0580 0.0605 0.0190 91 LEU I CD2 6847 N N . ALA E 92 ? 0.9270 0.7811 0.4708 0.1315 0.1291 -0.0017 92 ALA I N 6848 C CA . ALA E 92 ? 0.9764 0.8538 0.5066 0.1435 0.1490 -0.0046 92 ALA I CA 6849 C C . ALA E 92 ? 1.0387 0.9182 0.5285 0.1319 0.1487 -0.0075 92 ALA I C 6850 O O . ALA E 92 ? 0.9334 0.8440 0.4167 0.1344 0.1628 0.0008 92 ALA I O 6851 C CB . ALA E 92 ? 0.8671 0.7232 0.3842 0.1667 0.1628 -0.0240 92 ALA I CB 6852 N N . THR E 93 ? 1.1296 0.9789 0.5927 0.1188 0.1326 -0.0182 93 THR I N 6853 C CA . THR E 93 ? 1.1248 0.9771 0.5498 0.1066 0.1265 -0.0209 93 THR I CA 6854 C C . THR E 93 ? 1.1121 0.9699 0.5537 0.0867 0.1058 -0.0056 93 THR I C 6855 O O . THR E 93 ? 1.0463 0.8818 0.5021 0.0789 0.0918 -0.0097 93 THR I O 6856 C CB . THR E 93 ? 1.2410 1.0560 0.6216 0.1075 0.1235 -0.0496 93 THR I CB 6857 O OG1 . THR E 93 ? 1.4932 1.2995 0.8600 0.1289 0.1440 -0.0657 93 THR I OG1 6858 C CG2 . THR E 93 ? 1.1757 0.9992 0.5148 0.0954 0.1152 -0.0532 93 THR I CG2 6859 N N . SER E 94 ? 1.1009 0.9879 0.5412 0.0794 0.1049 0.0130 94 SER I N 6860 C CA . SER E 94 ? 1.0829 0.9757 0.5402 0.0634 0.0860 0.0280 94 SER I CA 6861 C C . SER E 94 ? 1.0715 0.9456 0.4981 0.0521 0.0680 0.0134 94 SER I C 6862 O O . SER E 94 ? 1.1161 0.9793 0.5012 0.0547 0.0702 -0.0050 94 SER I O 6863 C CB . SER E 94 ? 1.0769 1.0018 0.5405 0.0599 0.0904 0.0532 94 SER I CB 6864 O OG . SER E 94 ? 1.2720 1.2069 0.6913 0.0638 0.0993 0.0512 94 SER I OG 6865 N N . VAL E 95 ? 1.0564 0.9284 0.5054 0.0394 0.0501 0.0202 95 VAL I N 6866 C CA . VAL E 95 ? 1.0326 0.8950 0.4630 0.0264 0.0309 0.0092 95 VAL I CA 6867 C C . VAL E 95 ? 0.9584 0.8471 0.3970 0.0189 0.0184 0.0305 95 VAL I C 6868 O O . VAL E 95 ? 1.0771 0.9742 0.5539 0.0156 0.0139 0.0468 95 VAL I O 6869 C CB . VAL E 95 ? 0.9104 0.7479 0.3623 0.0183 0.0215 -0.0020 95 VAL I CB 6870 C CG1 . VAL E 95 ? 0.8660 0.7025 0.3079 0.0024 0.0011 -0.0105 95 VAL I CG1 6871 C CG2 . VAL E 95 ? 0.9027 0.7086 0.3425 0.0268 0.0330 -0.0222 95 VAL I CG2 6872 N N . GLU E 96 ? 0.9754 0.8762 0.3767 0.0173 0.0125 0.0302 96 GLU I N 6873 C CA . GLU E 96 ? 1.1046 1.0295 0.5104 0.0130 0.0005 0.0530 96 GLU I CA 6874 C C . GLU E 96 ? 1.2174 1.1422 0.6469 0.0013 -0.0217 0.0512 96 GLU I C 6875 O O . GLU E 96 ? 1.2978 1.2091 0.7187 -0.0069 -0.0320 0.0292 96 GLU I O 6876 C CB . GLU E 96 ? 0.8890 0.8280 0.2438 0.0156 -0.0014 0.0539 96 GLU I CB 6877 N N . ILE E 97 ? 1.1963 1.1359 0.6583 0.0004 -0.0279 0.0739 97 ILE I N 6878 C CA . ILE E 97 ? 1.1553 1.1014 0.6438 -0.0082 -0.0475 0.0757 97 ILE I CA 6879 C C . ILE E 97 ? 1.1082 1.0779 0.5891 -0.0059 -0.0599 0.0973 97 ILE I C 6880 O O . ILE E 97 ? 1.1343 1.1108 0.6282 0.0006 -0.0523 0.1212 97 ILE I O 6881 C CB . ILE E 97 ? 1.1006 1.0395 0.6376 -0.0090 -0.0434 0.0811 97 ILE I CB 6882 C CG1 . ILE E 97 ? 0.9937 0.9463 0.5610 -0.0141 -0.0605 0.0895 97 ILE I CG1 6883 C CG2 . ILE E 97 ? 1.1757 1.1154 0.7288 -0.0006 -0.0265 0.0980 97 ILE I CG2 6884 C CD1 . ILE E 97 ? 0.9200 0.8652 0.5301 -0.0148 -0.0558 0.0914 97 ILE I CD1 6885 N N . ALA E 98 ? 1.0364 1.0182 0.4961 -0.0112 -0.0793 0.0892 98 ALA I N 6886 C CA . ALA E 98 ? 1.0289 1.0342 0.4709 -0.0071 -0.0932 0.1086 98 ALA I CA 6887 C C . ALA E 98 ? 1.1205 1.1414 0.6029 -0.0091 -0.1121 0.1196 98 ALA I C 6888 O O . ALA E 98 ? 1.1030 1.1292 0.6002 -0.0184 -0.1265 0.1023 98 ALA I O 6889 C CB . ALA E 98 ? 0.9847 0.9982 0.3742 -0.0101 -0.1050 0.0922 98 ALA I CB 6890 N N . CYS E 99 ? 1.2259 1.2539 0.7272 -0.0005 -0.1111 0.1483 99 CYS I N 6891 C CA . CYS E 99 ? 1.2804 1.3237 0.8194 0.0018 -0.1279 0.1611 99 CYS I CA 6892 C C . CYS E 99 ? 1.3104 1.3788 0.8224 0.0066 -0.1493 0.1734 99 CYS I C 6893 O O . CYS E 99 ? 1.3016 1.3677 0.7858 0.0156 -0.1437 0.1905 99 CYS I O 6894 C CB . CYS E 99 ? 1.3799 1.4133 0.9545 0.0095 -0.1163 0.1845 99 CYS I CB 6895 S SG . CYS E 99 ? 1.3580 1.3653 0.9583 0.0056 -0.0918 0.1733 99 CYS I SG 6896 N N . THR E 100 ? 1.3757 1.4653 0.9018 0.0015 -0.1718 0.1619 100 THR I N 6897 C CA . THR E 100 ? 1.3301 1.4467 0.8360 0.0073 -0.1951 0.1709 100 THR I CA 6898 C C . THR E 100 ? 1.3010 1.4259 0.8399 0.0221 -0.2022 0.2001 100 THR I C 6899 O O . THR E 100 ? 1.3332 1.4639 0.8538 0.0332 -0.2116 0.2133 100 THR I O 6900 C CB . THR E 100 ? 1.2846 1.4253 0.7942 -0.0060 -0.2182 0.1455 100 THR I CB 6901 O OG1 . THR E 100 ? 1.3013 1.4675 0.8030 0.0024 -0.2408 0.1514 100 THR I OG1 6902 C CG2 . THR E 100 ? 1.2155 1.3589 0.7869 -0.0120 -0.2184 0.1368 100 THR I CG2 6903 N N . GLY E 101 ? 1.3065 1.4273 0.8930 0.0234 -0.1969 0.2090 101 GLY I N 6904 C CA . GLY E 101 ? 1.2267 1.3544 0.8482 0.0378 -0.2046 0.2346 101 GLY I CA 6905 C C . GLY E 101 ? 1.1742 1.3322 0.8374 0.0387 -0.2258 0.2274 101 GLY I C 6906 O O . GLY E 101 ? 0.9939 1.1584 0.6920 0.0527 -0.2321 0.2470 101 GLY I O 6907 N N . ALA E 102 ? 1.2937 1.4695 0.9570 0.0243 -0.2356 0.1993 102 ALA I N 6908 C CA . ALA E 102 ? 1.3438 1.5539 1.0500 0.0224 -0.2547 0.1899 102 ALA I CA 6909 C C . ALA E 102 ? 1.2914 1.4925 1.0479 0.0160 -0.2401 0.1756 102 ALA I C 6910 O O . ALA E 102 ? 1.3052 1.5356 1.1046 0.0158 -0.2516 0.1700 102 ALA I O 6911 C CB . ALA E 102 ? 1.3751 1.6118 1.0576 0.0074 -0.2744 0.1666 102 ALA I CB 6912 N N . GLY E 103 ? 1.1339 1.2984 0.8863 0.0113 -0.2152 0.1699 103 GLY I N 6913 C CA . GLY E 103 ? 1.0142 1.1700 0.8082 0.0062 -0.2014 0.1573 103 GLY I CA 6914 C C . GLY E 103 ? 1.0272 1.1640 0.8060 -0.0119 -0.1883 0.1322 103 GLY I C 6915 O O . GLY E 103 ? 0.9566 1.0922 0.7652 -0.0200 -0.1802 0.1184 103 GLY I O 6916 N N . HIS E 104 ? 1.0339 1.1550 0.7649 -0.0173 -0.1853 0.1267 104 HIS I N 6917 C CA . HIS E 104 ? 1.1257 1.2232 0.8398 -0.0316 -0.1720 0.1042 104 HIS I CA 6918 C C . HIS E 104 ? 1.2316 1.3055 0.8973 -0.0287 -0.1612 0.1062 104 HIS I C 6919 O O . HIS E 104 ? 1.2805 1.3637 0.9166 -0.0211 -0.1692 0.1193 104 HIS I O 6920 C CB . HIS E 104 ? 1.2564 1.3707 0.9705 -0.0489 -0.1858 0.0812 104 HIS I CB 6921 C CG . HIS E 104 ? 1.4292 1.5744 1.1237 -0.0490 -0.2107 0.0824 104 HIS I CG 6922 N ND1 . HIS E 104 ? 1.4828 1.6681 1.2101 -0.0451 -0.2311 0.0905 104 HIS I ND1 6923 C CD2 . HIS E 104 ? 1.5145 1.6586 1.1588 -0.0516 -0.2192 0.0759 104 HIS I CD2 6924 C CE1 . HIS E 104 ? 1.5137 1.7221 1.2116 -0.0455 -0.2530 0.0899 104 HIS I CE1 6925 N NE2 . HIS E 104 ? 1.5407 1.7240 1.1861 -0.0498 -0.2459 0.0805 104 HIS I NE2 6926 N N . CYS E 105 ? 1.2627 1.3077 0.9211 -0.0336 -0.1423 0.0942 105 CYS I N 6927 C CA . CYS E 105 ? 1.1927 1.2161 0.8098 -0.0311 -0.1290 0.0917 105 CYS I CA 6928 C C . CYS E 105 ? 1.0857 1.0941 0.6799 -0.0437 -0.1274 0.0644 105 CYS I C 6929 O O . CYS E 105 ? 1.1163 1.1159 0.7332 -0.0537 -0.1251 0.0506 105 CYS I O 6930 C CB . CYS E 105 ? 1.2936 1.2958 0.9241 -0.0236 -0.1078 0.1014 105 CYS I CB 6931 S SG . CYS E 105 ? 1.3816 1.3928 1.0423 -0.0109 -0.1078 0.1308 105 CYS I SG 6932 N N . ALA E 106 ? 1.0510 1.0541 0.5989 -0.0431 -0.1274 0.0569 106 ALA I N 6933 C CA . ALA E 106 ? 1.0179 1.0045 0.5393 -0.0546 -0.1281 0.0290 106 ALA I CA 6934 C C . ALA E 106 ? 1.0903 1.0480 0.5819 -0.0475 -0.1066 0.0225 106 ALA I C 6935 O O . ALA E 106 ? 1.2117 1.1727 0.6848 -0.0353 -0.0970 0.0377 106 ALA I O 6936 C CB . ALA E 106 ? 0.9452 0.9529 0.4347 -0.0605 -0.1497 0.0193 106 ALA I CB 6937 N N . ILE E 107 ? 1.0484 0.9779 0.5378 -0.0549 -0.0984 0.0010 107 ILE I N 6938 C CA . ILE E 107 ? 1.1164 1.0176 0.5773 -0.0475 -0.0796 -0.0097 107 ILE I CA 6939 C C . ILE E 107 ? 1.1697 1.0492 0.6024 -0.0587 -0.0847 -0.0400 107 ILE I C 6940 O O . ILE E 107 ? 1.2320 1.1103 0.6809 -0.0748 -0.0977 -0.0523 107 ILE I O 6941 C CB . ILE E 107 ? 1.1522 1.0333 0.6416 -0.0411 -0.0613 -0.0036 107 ILE I CB 6942 C CG1 . ILE E 107 ? 1.2864 1.1518 0.8032 -0.0537 -0.0646 -0.0141 107 ILE I CG1 6943 C CG2 . ILE E 107 ? 1.1853 1.0855 0.7034 -0.0320 -0.0571 0.0229 107 ILE I CG2 6944 C CD1 . ILE E 107 ? 1.4622 1.2895 0.9615 -0.0562 -0.0546 -0.0351 107 ILE I CD1 6945 N N . SER E 108 ? 1.2174 1.0794 0.6093 -0.0506 -0.0733 -0.0529 108 SER I N 6946 C CA . SER E 108 ? 1.2107 1.0470 0.5712 -0.0600 -0.0773 -0.0844 108 SER I CA 6947 C C . SER E 108 ? 1.3376 1.1360 0.7204 -0.0670 -0.0687 -0.0972 108 SER I C 6948 O O . SER E 108 ? 1.3234 1.1034 0.7185 -0.0548 -0.0502 -0.0894 108 SER I O 6949 C CB . SER E 108 ? 1.2229 1.0491 0.5336 -0.0465 -0.0643 -0.0954 108 SER I CB 6950 O OG . SER E 108 ? 1.3901 1.1875 0.6690 -0.0550 -0.0680 -0.1289 108 SER I OG 6951 N N . ARG E 109 ? 1.3352 1.1228 0.7235 -0.0872 -0.0826 -0.1161 109 ARG I N 6952 C CA . ARG E 109 ? 1.2366 0.9861 0.6458 -0.0962 -0.0746 -0.1257 109 ARG I CA 6953 C C . ARG E 109 ? 1.2531 0.9570 0.6331 -0.0845 -0.0564 -0.1422 109 ARG I C 6954 O O . ARG E 109 ? 1.3769 1.0518 0.7737 -0.0782 -0.0417 -0.1372 109 ARG I O 6955 C CB . ARG E 109 ? 1.2540 1.0017 0.6742 -0.1227 -0.0925 -0.1437 109 ARG I CB 6956 C CG . ARG E 109 ? 1.1368 0.8457 0.5815 -0.1350 -0.0836 -0.1496 109 ARG I CG 6957 C CD . ARG E 109 ? 1.2308 0.9448 0.6948 -0.1643 -0.1007 -0.1644 109 ARG I CD 6958 N NE . ARG E 109 ? 1.3191 1.0847 0.8213 -0.1717 -0.1144 -0.1467 109 ARG I NE 6959 C CZ . ARG E 109 ? 1.3117 1.0863 0.8557 -0.1740 -0.1075 -0.1279 109 ARG I CZ 6960 N NH1 . ARG E 109 ? 1.2648 1.0873 0.8426 -0.1788 -0.1198 -0.1143 109 ARG I NH1 6961 N NH2 . ARG E 109 ? 1.2224 0.9587 0.7733 -0.1698 -0.0882 -0.1224 109 ARG I NH2 6962 N N . ALA E 110 ? 1.3020 0.9997 0.6370 -0.0798 -0.0571 -0.1618 110 ALA I N 6963 C CA . ALA E 110 ? 1.3570 1.0120 0.6631 -0.0662 -0.0391 -0.1799 110 ALA I CA 6964 C C . ALA E 110 ? 1.3611 1.0210 0.6759 -0.0407 -0.0178 -0.1590 110 ALA I C 6965 O O . ALA E 110 ? 1.3321 0.9581 0.6555 -0.0302 -0.0025 -0.1608 110 ALA I O 6966 C CB . ALA E 110 ? 1.1554 0.8083 0.4088 -0.0658 -0.0443 -0.2064 110 ALA I CB 6967 N N . LYS E 111 ? 1.3928 1.0951 0.7069 -0.0308 -0.0172 -0.1384 111 LYS I N 6968 C CA . LYS E 111 ? 1.3302 1.0421 0.6561 -0.0093 0.0023 -0.1191 111 LYS I CA 6969 C C . LYS E 111 ? 1.3081 1.0124 0.6798 -0.0084 0.0067 -0.1019 111 LYS I C 6970 O O . LYS E 111 ? 1.3862 1.0773 0.7672 0.0081 0.0231 -0.0972 111 LYS I O 6971 C CB . LYS E 111 ? 1.3144 1.0722 0.6355 -0.0034 0.0011 -0.0976 111 LYS I CB 6972 C CG . LYS E 111 ? 1.3761 1.1431 0.6474 0.0067 0.0085 -0.1083 111 LYS I CG 6973 C CD . LYS E 111 ? 1.4399 1.2111 0.6749 -0.0079 -0.0117 -0.1270 111 LYS I CD 6974 C CE . LYS E 111 ? 1.4265 1.2310 0.6221 -0.0004 -0.0112 -0.1188 111 LYS I CE 6975 N NZ . LYS E 111 ? 1.4336 1.2549 0.6063 -0.0143 -0.0350 -0.1332 111 LYS I NZ 6976 N N . TRP E 112 ? 1.1870 0.9018 0.5874 -0.0250 -0.0078 -0.0928 112 TRP I N 6977 C CA . TRP E 112 ? 1.2033 0.9135 0.6433 -0.0243 -0.0037 -0.0767 112 TRP I CA 6978 C C . TRP E 112 ? 1.2804 0.9432 0.7202 -0.0246 0.0041 -0.0897 112 TRP I C 6979 O O . TRP E 112 ? 1.2315 0.8828 0.6881 -0.0120 0.0154 -0.0789 112 TRP I O 6980 C CB . TRP E 112 ? 1.1383 0.8732 0.6073 -0.0412 -0.0195 -0.0653 112 TRP I CB 6981 C CG . TRP E 112 ? 1.1190 0.8565 0.6256 -0.0392 -0.0151 -0.0475 112 TRP I CG 6982 C CD1 . TRP E 112 ? 1.1295 0.8540 0.6581 -0.0519 -0.0182 -0.0475 112 TRP I CD1 6983 C CD2 . TRP E 112 ? 1.0784 0.8334 0.6036 -0.0242 -0.0064 -0.0280 112 TRP I CD2 6984 N NE1 . TRP E 112 ? 1.0275 0.7605 0.5833 -0.0443 -0.0121 -0.0296 112 TRP I NE1 6985 C CE2 . TRP E 112 ? 0.9838 0.7350 0.5389 -0.0278 -0.0060 -0.0186 112 TRP I CE2 6986 C CE3 . TRP E 112 ? 1.0565 0.8309 0.5765 -0.0094 0.0015 -0.0180 112 TRP I CE3 6987 C CZ2 . TRP E 112 ? 0.8726 0.6382 0.4506 -0.0168 -0.0001 -0.0020 112 TRP I CZ2 6988 C CZ3 . TRP E 112 ? 1.0178 0.8064 0.5652 -0.0002 0.0077 -0.0006 112 TRP I CZ3 6989 C CH2 . TRP E 112 ? 0.9615 0.7453 0.5367 -0.0038 0.0058 0.0061 112 TRP I CH2 6990 N N . ALA E 113 ? 1.3260 0.9603 0.7471 -0.0392 -0.0025 -0.1123 113 ALA I N 6991 C CA . ALA E 113 ? 1.1965 0.7792 0.6159 -0.0406 0.0054 -0.1242 113 ALA I CA 6992 C C . ALA E 113 ? 1.2967 0.8535 0.6976 -0.0153 0.0232 -0.1297 113 ALA I C 6993 O O . ALA E 113 ? 1.4662 0.9916 0.8778 -0.0057 0.0333 -0.1248 113 ALA I O 6994 C CB . ALA E 113 ? 1.1298 0.6865 0.5320 -0.0631 -0.0056 -0.1500 113 ALA I CB 6995 N N . ASN E 114 ? 1.2547 0.8261 0.6279 -0.0029 0.0279 -0.1388 114 ASN I N 6996 C CA . ASN E 114 ? 1.3968 0.9495 0.7557 0.0229 0.0465 -0.1445 114 ASN I CA 6997 C C . ASN E 114 ? 1.3502 0.9283 0.7396 0.0410 0.0563 -0.1185 114 ASN I C 6998 O O . ASN E 114 ? 1.4771 1.0332 0.8716 0.0604 0.0693 -0.1178 114 ASN I O 6999 C CB . ASN E 114 ? 1.5301 1.0961 0.8504 0.0312 0.0510 -0.1610 114 ASN I CB 7000 C CG . ASN E 114 ? 1.6339 1.1893 0.9432 0.0599 0.0725 -0.1660 114 ASN I CG 7001 O OD1 . ASN E 114 ? 1.7302 1.3234 1.0493 0.0750 0.0825 -0.1495 114 ASN I OD1 7002 N ND2 . ASN E 114 ? 1.6182 1.1218 0.9099 0.0676 0.0803 -0.1887 114 ASN I ND2 7003 N N . THR E 115 ? 1.2396 0.8633 0.6502 0.0354 0.0495 -0.0976 115 THR I N 7004 C CA . THR E 115 ? 1.2153 0.8629 0.6582 0.0484 0.0560 -0.0743 115 THR I CA 7005 C C . THR E 115 ? 1.1969 0.8191 0.6630 0.0471 0.0546 -0.0668 115 THR I C 7006 O O . THR E 115 ? 1.1338 0.7492 0.6122 0.0654 0.0642 -0.0595 115 THR I O 7007 C CB . THR E 115 ? 1.0871 0.7820 0.5475 0.0398 0.0476 -0.0555 115 THR I CB 7008 O OG1 . THR E 115 ? 1.2175 0.9328 0.6509 0.0399 0.0482 -0.0609 115 THR I OG1 7009 C CG2 . THR E 115 ? 0.9039 0.6250 0.3958 0.0527 0.0549 -0.0347 115 THR I CG2 7010 N N . LEU E 116 ? 1.1957 0.8054 0.6674 0.0259 0.0430 -0.0679 116 LEU I N 7011 C CA . LEU E 116 ? 1.1983 0.7838 0.6884 0.0228 0.0430 -0.0593 116 LEU I CA 7012 C C . LEU E 116 ? 1.2473 0.7828 0.7229 0.0367 0.0537 -0.0689 116 LEU I C 7013 O O . LEU E 116 ? 1.2828 0.8058 0.7719 0.0488 0.0588 -0.0562 116 LEU I O 7014 C CB . LEU E 116 ? 1.1774 0.7583 0.6743 -0.0040 0.0310 -0.0616 116 LEU I CB 7015 C CG . LEU E 116 ? 1.1590 0.7762 0.6858 -0.0140 0.0230 -0.0432 116 LEU I CG 7016 C CD1 . LEU E 116 ? 1.1983 0.8612 0.7334 -0.0060 0.0206 -0.0330 116 LEU I CD1 7017 C CD2 . LEU E 116 ? 1.1341 0.7528 0.6668 -0.0400 0.0117 -0.0497 116 LEU I CD2 7018 N N . LYS E 117 ? 1.2622 0.7676 0.7091 0.0361 0.0567 -0.0919 117 LYS I N 7019 C CA . LYS E 117 ? 1.2267 0.6794 0.6588 0.0512 0.0677 -0.1031 117 LYS I CA 7020 C C . LYS E 117 ? 1.2912 0.7555 0.7307 0.0830 0.0802 -0.0938 117 LYS I C 7021 O O . LYS E 117 ? 1.2666 0.6984 0.7104 0.0991 0.0872 -0.0888 117 LYS I O 7022 C CB . LYS E 117 ? 1.1552 0.5771 0.5534 0.0451 0.0683 -0.1330 117 LYS I CB 7023 C CG . LYS E 117 ? 1.1589 0.5198 0.5396 0.0614 0.0804 -0.1485 117 LYS I CG 7024 N N . GLN E 118 ? 1.3445 0.8563 0.7870 0.0924 0.0833 -0.0903 118 GLN I N 7025 C CA . GLN E 118 ? 1.2709 0.8028 0.7271 0.1205 0.0950 -0.0809 118 GLN I CA 7026 C C . GLN E 118 ? 1.2238 0.7794 0.7140 0.1237 0.0902 -0.0559 118 GLN I C 7027 O O . GLN E 118 ? 1.3759 0.9287 0.8795 0.1459 0.0965 -0.0479 118 GLN I O 7028 C CB . GLN E 118 ? 1.0994 0.6761 0.5499 0.1265 0.1013 -0.0835 118 GLN I CB 7029 C CG . GLN E 118 ? 1.1735 0.7331 0.5853 0.1243 0.1060 -0.1088 118 GLN I CG 7030 C CD . GLN E 118 ? 1.2420 0.8503 0.6459 0.1265 0.1113 -0.1064 118 GLN I CD 7031 O OE1 . GLN E 118 ? 1.2049 0.8456 0.6256 0.1444 0.1234 -0.0957 118 GLN I OE1 7032 N NE2 . GLN E 118 ? 1.2591 0.8747 0.6387 0.1075 0.1020 -0.1150 118 GLN I NE2 7033 N N . ILE E 119 ? 1.1395 0.7204 0.6439 0.1029 0.0785 -0.0443 119 ILE I N 7034 C CA . ILE E 119 ? 1.0951 0.6942 0.6275 0.1038 0.0731 -0.0238 119 ILE I CA 7035 C C . ILE E 119 ? 1.1760 0.7303 0.7053 0.1074 0.0732 -0.0202 119 ILE I C 7036 O O . ILE E 119 ? 1.1884 0.7457 0.7317 0.1239 0.0743 -0.0070 119 ILE I O 7037 C CB . ILE E 119 ? 0.9709 0.5998 0.5163 0.0808 0.0615 -0.0153 119 ILE I CB 7038 C CG1 . ILE E 119 ? 0.8960 0.5685 0.4460 0.0801 0.0620 -0.0137 119 ILE I CG1 7039 C CG2 . ILE E 119 ? 0.9376 0.5775 0.5066 0.0804 0.0560 0.0021 119 ILE I CG2 7040 C CD1 . ILE E 119 ? 0.8456 0.5452 0.4081 0.0605 0.0508 -0.0054 119 ILE I CD1 7041 N N . ALA E 120 ? 1.1988 0.7113 0.7097 0.0914 0.0715 -0.0312 120 ALA I N 7042 C CA . ALA E 120 ? 1.1735 0.6383 0.6798 0.0923 0.0732 -0.0259 120 ALA I CA 7043 C C . ALA E 120 ? 1.1815 0.6161 0.6802 0.1218 0.0833 -0.0275 120 ALA I C 7044 O O . ALA E 120 ? 1.1153 0.5328 0.6199 0.1350 0.0843 -0.0124 120 ALA I O 7045 C CB . ALA E 120 ? 1.1318 0.5574 0.6221 0.0670 0.0706 -0.0395 120 ALA I CB 7046 N N . SER E 121 ? 1.1690 0.5985 0.6541 0.1343 0.0911 -0.0454 121 SER I N 7047 C CA . SER E 121 ? 1.1937 0.5959 0.6737 0.1653 0.1020 -0.0488 121 SER I CA 7048 C C . SER E 121 ? 1.1983 0.6423 0.7048 0.1894 0.1024 -0.0298 121 SER I C 7049 O O . SER E 121 ? 1.2260 0.6475 0.7364 0.2129 0.1057 -0.0212 121 SER I O 7050 C CB . SER E 121 ? 1.2058 0.6012 0.6657 0.1740 0.1117 -0.0736 121 SER I CB 7051 O OG . SER E 121 ? 1.3209 0.6838 0.7756 0.2048 0.1234 -0.0795 121 SER I OG 7052 N N . LYS E 122 ? 1.1619 0.6666 0.6878 0.1837 0.0981 -0.0228 122 LYS I N 7053 C CA . LYS E 122 ? 1.1180 0.6662 0.6726 0.2025 0.0966 -0.0063 122 LYS I CA 7054 C C . LYS E 122 ? 1.1976 0.7442 0.7628 0.1971 0.0856 0.0130 122 LYS I C 7055 O O . LYS E 122 ? 1.1723 0.7293 0.7520 0.2181 0.0835 0.0257 122 LYS I O 7056 C CB . LYS E 122 ? 1.1158 0.7252 0.6884 0.1957 0.0964 -0.0053 122 LYS I CB 7057 C CG . LYS E 122 ? 1.1382 0.7609 0.7036 0.2084 0.1100 -0.0198 122 LYS I CG 7058 C CD . LYS E 122 ? 1.1955 0.8176 0.7723 0.2424 0.1201 -0.0200 122 LYS I CD 7059 C CE . LYS E 122 ? 1.1361 0.7682 0.7028 0.2564 0.1369 -0.0367 122 LYS I CE 7060 N N . LEU E 123 ? 1.2451 0.7818 0.8031 0.1697 0.0785 0.0152 123 LEU I N 7061 C CA . LEU E 123 ? 1.1509 0.6809 0.7130 0.1639 0.0707 0.0321 123 LEU I CA 7062 C C . LEU E 123 ? 1.2535 0.7262 0.7984 0.1768 0.0748 0.0376 123 LEU I C 7063 O O . LEU E 123 ? 1.1899 0.6612 0.7384 0.1886 0.0707 0.0549 123 LEU I O 7064 C CB . LEU E 123 ? 0.9714 0.5047 0.5313 0.1323 0.0648 0.0317 123 LEU I CB 7065 C CG . LEU E 123 ? 0.8760 0.4647 0.4560 0.1205 0.0580 0.0337 123 LEU I CG 7066 C CD1 . LEU E 123 ? 0.9319 0.5189 0.5093 0.0921 0.0530 0.0318 123 LEU I CD1 7067 C CD2 . LEU E 123 ? 0.7763 0.3975 0.3759 0.1324 0.0520 0.0487 123 LEU I CD2 7068 N N . ARG E 124 ? 1.2841 0.7075 0.8086 0.1743 0.0827 0.0230 124 ARG I N 7069 C CA . ARG E 124 ? 1.2838 0.6440 0.7913 0.1847 0.0878 0.0280 124 ARG I CA 7070 C C . ARG E 124 ? 1.3660 0.7257 0.8802 0.2225 0.0904 0.0377 124 ARG I C 7071 O O . ARG E 124 ? 1.4419 0.7706 0.9499 0.2352 0.0893 0.0549 124 ARG I O 7072 C CB . ARG E 124 ? 1.2853 0.5936 0.7714 0.1740 0.0953 0.0060 124 ARG I CB 7073 C CG . ARG E 124 ? 1.4047 0.6382 0.8726 0.1767 0.1011 0.0099 124 ARG I CG 7074 C CD . ARG E 124 ? 1.5324 0.7150 0.9803 0.1653 0.1078 -0.0167 124 ARG I CD 7075 N NE . ARG E 124 ? 1.6385 0.8278 1.0838 0.1268 0.1022 -0.0278 124 ARG I NE 7076 C CZ . ARG E 124 ? 1.6977 0.9206 1.1418 0.1141 0.0988 -0.0476 124 ARG I CZ 7077 N NH1 . ARG E 124 ? 1.7439 0.9949 1.1872 0.1356 0.1027 -0.0583 124 ARG I NH1 7078 N NH2 . ARG E 124 ? 1.6190 0.8490 1.0627 0.0804 0.0918 -0.0557 124 ARG I NH2 7079 N N . GLU E 125 ? 1.3007 0.6975 0.8288 0.2414 0.0939 0.0283 125 GLU I N 7080 C CA . GLU E 125 ? 1.3245 0.7288 0.8649 0.2787 0.0963 0.0362 125 GLU I CA 7081 C C . GLU E 125 ? 1.2775 0.7333 0.8411 0.2872 0.0844 0.0570 125 GLU I C 7082 O O . GLU E 125 ? 1.3423 0.7980 0.9138 0.3166 0.0822 0.0693 125 GLU I O 7083 C CB . GLU E 125 ? 1.4487 0.8782 0.9982 0.2959 0.1065 0.0181 125 GLU I CB 7084 C CG . GLU E 125 ? 1.5257 1.0326 1.1026 0.2911 0.1031 0.0193 125 GLU I CG 7085 C CD . GLU E 125 ? 1.6627 1.1983 1.2519 0.3134 0.1156 0.0064 125 GLU I CD 7086 O OE1 . GLU E 125 ? 1.6892 1.2812 1.2964 0.3050 0.1166 0.0044 125 GLU I OE1 7087 O OE2 . GLU E 125 ? 1.7193 1.2201 1.3005 0.3399 0.1256 -0.0012 125 GLU I OE2 7088 N N . GLN E 126 ? 1.2860 0.7852 0.8605 0.2630 0.0760 0.0603 126 GLN I N 7089 C CA . GLN E 126 ? 1.1967 0.7450 0.7923 0.2692 0.0639 0.0763 126 GLN I CA 7090 C C . GLN E 126 ? 1.2436 0.7647 0.8231 0.2661 0.0563 0.0948 126 GLN I C 7091 O O . GLN E 126 ? 1.1435 0.6834 0.7305 0.2852 0.0473 0.1099 126 GLN I O 7092 C CB . GLN E 126 ? 1.1932 0.7958 0.8073 0.2460 0.0588 0.0712 126 GLN I CB 7093 C CG . GLN E 126 ? 1.1869 0.8406 0.8240 0.2493 0.0458 0.0835 126 GLN I CG 7094 C CD . GLN E 126 ? 1.1121 0.8012 0.7746 0.2790 0.0439 0.0866 126 GLN I CD 7095 O OE1 . GLN E 126 ? 1.1520 0.8676 0.8325 0.2857 0.0519 0.0766 126 GLN I OE1 7096 N NE2 . GLN E 126 ? 1.0733 0.7656 0.7373 0.2975 0.0335 0.1012 126 GLN I NE2 7097 N N . TYR E 127 ? 1.3373 0.8168 0.8947 0.2419 0.0597 0.0942 127 TYR I N 7098 C CA . TYR E 127 ? 1.3012 0.7536 0.8409 0.2361 0.0559 0.1126 127 TYR I CA 7099 C C . TYR E 127 ? 1.4668 0.8475 0.9822 0.2475 0.0641 0.1200 127 TYR I C 7100 O O . TYR E 127 ? 1.5356 0.8854 1.0326 0.2409 0.0639 0.1370 127 TYR I O 7101 C CB . TYR E 127 ? 1.1979 0.6568 0.7336 0.2005 0.0551 0.1099 127 TYR I CB 7102 C CG . TYR E 127 ? 1.0376 0.5609 0.5944 0.1921 0.0451 0.1096 127 TYR I CG 7103 C CD1 . TYR E 127 ? 1.0307 0.5785 0.5886 0.2005 0.0356 0.1245 127 TYR I CD1 7104 C CD2 . TYR E 127 ? 1.0297 0.5871 0.6036 0.1764 0.0450 0.0943 127 TYR I CD2 7105 C CE1 . TYR E 127 ? 1.0746 0.6770 0.6517 0.1925 0.0263 0.1217 127 TYR I CE1 7106 C CE2 . TYR E 127 ? 1.0302 0.6409 0.6244 0.1688 0.0364 0.0944 127 TYR I CE2 7107 C CZ . TYR E 127 ? 1.0731 0.7048 0.6696 0.1765 0.0271 0.1069 127 TYR I CZ 7108 O OH . TYR E 127 ? 1.0946 0.7749 0.7108 0.1688 0.0182 0.1048 127 TYR I OH 7109 N N . GLY E 128 ? 1.5140 0.8662 1.0283 0.2648 0.0723 0.1078 128 GLY I N 7110 C CA . GLY E 128 ? 1.5316 0.8103 1.0244 0.2781 0.0806 0.1133 128 GLY I CA 7111 C C . GLY E 128 ? 1.6711 0.8953 1.1420 0.2478 0.0866 0.1151 128 GLY I C 7112 O O . GLY E 128 ? 1.8993 1.0879 1.3623 0.2485 0.0891 0.1281 128 GLY I O 7113 N N . ALA E 129 ? 1.5951 0.8347 1.0692 0.2143 0.0872 0.0996 129 ALA I N 7114 C CA . ALA E 129 ? 1.6844 0.8817 1.1442 0.1824 0.0923 0.1002 129 ALA I CA 7115 C C . ALA E 129 ? 1.8328 0.9803 1.2832 0.1724 0.1007 0.0763 129 ALA I C 7116 O O . ALA E 129 ? 1.8146 0.9554 1.2653 0.1931 0.1040 0.0605 129 ALA I O 7117 C CB . ALA E 129 ? 1.4749 0.7220 0.9461 0.1518 0.0864 0.0990 129 ALA I CB 7118 N N . LYS E 130 ? 1.9593 1.0727 1.4016 0.1398 0.1044 0.0727 130 LYS I N 7119 C CA . LYS E 130 ? 1.9552 1.0231 1.3884 0.1232 0.1100 0.0474 130 LYS I CA 7120 C C . LYS E 130 ? 1.9222 1.0248 1.3646 0.0871 0.1047 0.0297 130 LYS I C 7121 O O . LYS E 130 ? 2.0541 1.1532 1.4927 0.0802 0.1043 0.0031 130 LYS I O 7122 C CB . LYS E 130 ? 1.8500 0.8552 1.2761 0.1131 0.1172 0.0554 130 LYS I CB 7123 N N . THR E 131 ? 1.6744 0.8122 1.1281 0.0656 0.1005 0.0436 131 THR I N 7124 C CA . THR E 131 ? 1.4990 0.6726 0.9649 0.0329 0.0947 0.0296 131 THR I CA 7125 C C . THR E 131 ? 1.4556 0.7047 0.9393 0.0366 0.0862 0.0369 131 THR I C 7126 O O . THR E 131 ? 1.5496 0.8182 1.0372 0.0476 0.0856 0.0584 131 THR I O 7127 C CB . THR E 131 ? 1.3142 0.4606 0.7821 0.0002 0.0988 0.0373 131 THR I CB 7128 O OG1 . THR E 131 ? 1.4117 0.4838 0.8649 -0.0064 0.1066 0.0287 131 THR I OG1 7129 C CG2 . THR E 131 ? 1.1576 0.3485 0.6430 -0.0314 0.0914 0.0234 131 THR I CG2 7130 N N . ILE E 132 ? 1.2660 0.5554 0.7585 0.0277 0.0795 0.0189 132 ILE I N 7131 C CA . ILE E 132 ? 1.1394 0.4962 0.6499 0.0286 0.0716 0.0236 132 ILE I CA 7132 C C . ILE E 132 ? 1.1904 0.5722 0.7128 -0.0029 0.0657 0.0150 132 ILE I C 7133 O O . ILE E 132 ? 1.0845 0.4593 0.6020 -0.0162 0.0627 -0.0050 132 ILE I O 7134 C CB . ILE E 132 ? 1.1618 0.5483 0.6737 0.0501 0.0693 0.0136 132 ILE I CB 7135 C CG1 . ILE E 132 ? 1.0815 0.4416 0.5843 0.0823 0.0757 0.0187 132 ILE I CG1 7136 C CG2 . ILE E 132 ? 1.2032 0.6538 0.7354 0.0512 0.0620 0.0216 132 ILE I CG2 7137 C CD1 . ILE E 132 ? 1.0447 0.4184 0.5549 0.0991 0.0743 0.0423 132 ILE I CD1 7138 N N . ILE E 133 ? 1.2234 0.6360 0.7610 -0.0137 0.0636 0.0290 133 ILE I N 7139 C CA . ILE E 133 ? 1.1633 0.6062 0.7177 -0.0409 0.0581 0.0233 133 ILE I CA 7140 C C . ILE E 133 ? 1.1256 0.6284 0.6970 -0.0344 0.0501 0.0262 133 ILE I C 7141 O O . ILE E 133 ? 1.1712 0.6930 0.7471 -0.0187 0.0508 0.0399 133 ILE I O 7142 C CB . ILE E 133 ? 1.1409 0.5715 0.7020 -0.0601 0.0643 0.0363 133 ILE I CB 7143 C CG1 . ILE E 133 ? 1.0971 0.4619 0.6411 -0.0658 0.0738 0.0373 133 ILE I CG1 7144 C CG2 . ILE E 133 ? 1.0702 0.5349 0.6532 -0.0877 0.0588 0.0285 133 ILE I CG2 7145 C CD1 . ILE E 133 ? 1.0085 0.3586 0.5564 -0.0824 0.0833 0.0551 133 ILE I CD1 7146 N N . PHE E 134 ? 1.0906 0.6216 0.6708 -0.0463 0.0419 0.0133 134 PHE I N 7147 C CA . PHE E 134 ? 1.0314 0.6157 0.6303 -0.0448 0.0344 0.0169 134 PHE I CA 7148 C C . PHE E 134 ? 1.0169 0.6236 0.6362 -0.0672 0.0312 0.0190 134 PHE I C 7149 O O . PHE E 134 ? 0.9921 0.5894 0.6133 -0.0876 0.0287 0.0087 134 PHE I O 7150 C CB . PHE E 134 ? 1.0069 0.6101 0.6012 -0.0404 0.0275 0.0046 134 PHE I CB 7151 C CG . PHE E 134 ? 1.0205 0.6109 0.5992 -0.0172 0.0324 0.0027 134 PHE I CG 7152 C CD1 . PHE E 134 ? 0.9591 0.5731 0.5472 0.0016 0.0338 0.0142 134 PHE I CD1 7153 C CD2 . PHE E 134 ? 1.0328 0.5896 0.5895 -0.0143 0.0359 -0.0122 134 PHE I CD2 7154 C CE1 . PHE E 134 ? 0.9221 0.5302 0.5011 0.0229 0.0388 0.0127 134 PHE I CE1 7155 C CE2 . PHE E 134 ? 1.0342 0.5827 0.5792 0.0090 0.0422 -0.0144 134 PHE I CE2 7156 C CZ . PHE E 134 ? 0.9697 0.5461 0.5277 0.0277 0.0438 -0.0012 134 PHE I CZ 7157 N N . LYS E 135 ? 0.9225 0.5595 0.5579 -0.0634 0.0315 0.0308 135 LYS I N 7158 C CA . LYS E 135 ? 0.8634 0.5276 0.5214 -0.0806 0.0303 0.0334 135 LYS I CA 7159 C C . LYS E 135 ? 0.8832 0.5936 0.5603 -0.0735 0.0224 0.0352 135 LYS I C 7160 O O . LYS E 135 ? 0.8025 0.5213 0.4756 -0.0558 0.0203 0.0382 135 LYS I O 7161 C CB . LYS E 135 ? 0.8370 0.4886 0.4947 -0.0834 0.0415 0.0464 135 LYS I CB 7162 C CG . LYS E 135 ? 0.8389 0.4440 0.4827 -0.0964 0.0503 0.0469 135 LYS I CG 7163 C CD . LYS E 135 ? 0.8159 0.4156 0.4616 -0.1032 0.0624 0.0619 135 LYS I CD 7164 C CE . LYS E 135 ? 0.9193 0.4670 0.5500 -0.1154 0.0727 0.0660 135 LYS I CE 7165 N NZ . LYS E 135 ? 1.1171 0.6616 0.7485 -0.1242 0.0866 0.0830 135 LYS I NZ 7166 N N . PRO E 136 ? 0.8450 0.5859 0.5454 -0.0870 0.0180 0.0336 136 PRO I N 7167 C CA . PRO E 136 ? 0.8295 0.6100 0.5490 -0.0792 0.0104 0.0359 136 PRO I CA 7168 C C . PRO E 136 ? 0.8956 0.6859 0.6202 -0.0656 0.0158 0.0451 136 PRO I C 7169 O O . PRO E 136 ? 0.9826 0.7522 0.6938 -0.0612 0.0246 0.0508 136 PRO I O 7170 C CB . PRO E 136 ? 0.7736 0.5819 0.5184 -0.0963 0.0053 0.0321 136 PRO I CB 7171 C CG . PRO E 136 ? 0.8107 0.5986 0.5544 -0.1134 0.0143 0.0312 136 PRO I CG 7172 C CD . PRO E 136 ? 0.8069 0.5486 0.5201 -0.1101 0.0189 0.0289 136 PRO I CD 7173 N N . SER E 137 ? 0.7938 0.6144 0.5366 -0.0588 0.0099 0.0466 137 SER I N 7174 C CA . SER E 137 ? 0.6639 0.4938 0.4114 -0.0460 0.0129 0.0518 137 SER I CA 7175 C C . SER E 137 ? 0.7919 0.6250 0.5440 -0.0510 0.0224 0.0547 137 SER I C 7176 O O . SER E 137 ? 0.8913 0.7346 0.6570 -0.0647 0.0254 0.0533 137 SER I O 7177 C CB . SER E 137 ? 0.5610 0.4186 0.3292 -0.0397 0.0049 0.0517 137 SER I CB 7178 O OG . SER E 137 ? 0.6745 0.5412 0.4504 -0.0305 0.0077 0.0534 137 SER I OG 7179 N N . SER E 138 ? 0.7783 0.6055 0.5192 -0.0399 0.0271 0.0588 138 SER I N 7180 C CA . SER E 138 ? 0.7592 0.5905 0.4986 -0.0423 0.0373 0.0622 138 SER I CA 7181 C C . SER E 138 ? 0.6978 0.5617 0.4627 -0.0415 0.0373 0.0579 138 SER I C 7182 O O . SER E 138 ? 0.6922 0.5650 0.4590 -0.0447 0.0476 0.0591 138 SER I O 7183 C CB . SER E 138 ? 0.6975 0.5132 0.4123 -0.0291 0.0404 0.0676 138 SER I CB 7184 O OG . SER E 138 ? 0.7742 0.5896 0.4791 -0.0319 0.0519 0.0727 138 SER I OG 7185 N N . GLY E 139 ? 0.6919 0.5724 0.4755 -0.0366 0.0273 0.0535 139 GLY I N 7186 C CA . GLY E 139 ? 0.6743 0.5815 0.4833 -0.0327 0.0264 0.0493 139 GLY I CA 7187 C C . GLY E 139 ? 0.7950 0.7038 0.6065 -0.0193 0.0195 0.0465 139 GLY I C 7188 O O . GLY E 139 ? 0.7453 0.6397 0.5423 -0.0140 0.0148 0.0484 139 GLY I O 7189 N N . GLY E 140 ? 0.7933 0.7201 0.6260 -0.0139 0.0194 0.0414 140 GLY I N 7190 C CA . GLY E 140 ? 0.6373 0.5640 0.4763 -0.0033 0.0134 0.0372 140 GLY I CA 7191 C C . GLY E 140 ? 0.6582 0.5987 0.5269 -0.0002 0.0073 0.0364 140 GLY I C 7192 O O . GLY E 140 ? 0.7124 0.6680 0.5981 -0.0045 0.0075 0.0383 140 GLY I O 7193 N N . ASP E 141 ? 0.6748 0.6105 0.5514 0.0071 0.0012 0.0342 141 ASP I N 7194 C CA . ASP E 141 ? 0.5999 0.5426 0.5035 0.0119 -0.0047 0.0357 141 ASP I CA 7195 C C . ASP E 141 ? 0.6678 0.6125 0.5739 0.0074 -0.0123 0.0470 141 ASP I C 7196 O O . ASP E 141 ? 0.6529 0.5894 0.5390 0.0017 -0.0133 0.0514 141 ASP I O 7197 C CB . ASP E 141 ? 0.7501 0.6820 0.6605 0.0185 -0.0085 0.0309 141 ASP I CB 7198 C CG . ASP E 141 ? 0.9005 0.8332 0.8120 0.0245 -0.0027 0.0165 141 ASP I CG 7199 O OD1 . ASP E 141 ? 0.9068 0.8505 0.8145 0.0246 0.0059 0.0121 141 ASP I OD1 7200 O OD2 . ASP E 141 ? 1.0438 0.9667 0.9599 0.0282 -0.0063 0.0089 141 ASP I OD2 7201 N N . PRO E 142 ? 0.7069 0.6625 0.6362 0.0113 -0.0178 0.0517 142 PRO I N 7202 C CA . PRO E 142 ? 0.6978 0.6596 0.6260 0.0073 -0.0261 0.0624 142 PRO I CA 7203 C C . PRO E 142 ? 0.6665 0.6139 0.5771 0.0056 -0.0300 0.0701 142 PRO I C 7204 O O . PRO E 142 ? 0.6349 0.5833 0.5292 -0.0004 -0.0332 0.0745 142 PRO I O 7205 C CB . PRO E 142 ? 0.7286 0.7037 0.6863 0.0161 -0.0321 0.0670 142 PRO I CB 7206 C CG . PRO E 142 ? 0.6657 0.6485 0.6404 0.0217 -0.0239 0.0557 142 PRO I CG 7207 C CD . PRO E 142 ? 0.6578 0.6231 0.6140 0.0206 -0.0163 0.0466 142 PRO I CD 7208 N N . GLU E 143 ? 0.5925 0.5275 0.5064 0.0101 -0.0292 0.0708 143 GLU I N 7209 C CA . GLU E 143 ? 0.6416 0.5675 0.5420 0.0079 -0.0306 0.0788 143 GLU I CA 7210 C C . GLU E 143 ? 0.6634 0.5838 0.5383 0.0031 -0.0261 0.0746 143 GLU I C 7211 O O . GLU E 143 ? 0.6256 0.5432 0.4858 0.0011 -0.0266 0.0808 143 GLU I O 7212 C CB . GLU E 143 ? 0.6072 0.5228 0.5215 0.0112 -0.0301 0.0799 143 GLU I CB 7213 C CG . GLU E 143 ? 0.7698 0.6815 0.6955 0.0144 -0.0274 0.0661 143 GLU I CG 7214 C CD . GLU E 143 ? 0.9669 0.8783 0.9178 0.0213 -0.0292 0.0644 143 GLU I CD 7215 O OE1 . GLU E 143 ? 1.1143 1.0175 1.0807 0.0238 -0.0328 0.0740 143 GLU I OE1 7216 O OE2 . GLU E 143 ? 0.9410 0.8600 0.8964 0.0249 -0.0259 0.0542 143 GLU I OE2 7217 N N . PHE E 144 ? 0.6221 0.5403 0.4898 0.0022 -0.0212 0.0651 144 PHE I N 7218 C CA . PHE E 144 ? 0.5238 0.4328 0.3678 0.0001 -0.0170 0.0627 144 PHE I CA 7219 C C . PHE E 144 ? 0.6163 0.5234 0.4461 -0.0064 -0.0145 0.0607 144 PHE I C 7220 O O . PHE E 144 ? 0.6253 0.5211 0.4348 -0.0084 -0.0124 0.0610 144 PHE I O 7221 C CB . PHE E 144 ? 0.5083 0.4128 0.3492 0.0043 -0.0138 0.0557 144 PHE I CB 7222 C CG . PHE E 144 ? 0.6295 0.5343 0.4818 0.0079 -0.0169 0.0560 144 PHE I CG 7223 C CD1 . PHE E 144 ? 0.6596 0.5625 0.5045 0.0088 -0.0167 0.0602 144 PHE I CD1 7224 C CD2 . PHE E 144 ? 0.6972 0.6043 0.5700 0.0099 -0.0193 0.0513 144 PHE I CD2 7225 C CE1 . PHE E 144 ? 0.7274 0.6343 0.5876 0.0097 -0.0190 0.0608 144 PHE I CE1 7226 C CE2 . PHE E 144 ? 0.5311 0.4370 0.4173 0.0103 -0.0223 0.0508 144 PHE I CE2 7227 C CZ . PHE E 144 ? 0.7267 0.6342 0.6079 0.0092 -0.0222 0.0561 144 PHE I CZ 7228 N N . VAL E 145 ? 0.6395 0.5572 0.4814 -0.0101 -0.0140 0.0582 145 VAL I N 7229 C CA . VAL E 145 ? 0.5500 0.4671 0.3828 -0.0197 -0.0118 0.0564 145 VAL I CA 7230 C C . VAL E 145 ? 0.5923 0.5135 0.4217 -0.0246 -0.0197 0.0596 145 VAL I C 7231 O O . VAL E 145 ? 0.7714 0.6849 0.5859 -0.0333 -0.0195 0.0566 145 VAL I O 7232 C CB . VAL E 145 ? 0.6345 0.5671 0.4853 -0.0232 -0.0075 0.0528 145 VAL I CB 7233 C CG1 . VAL E 145 ? 0.5195 0.4746 0.3980 -0.0207 -0.0150 0.0549 145 VAL I CG1 7234 C CG2 . VAL E 145 ? 0.5613 0.4899 0.4025 -0.0356 -0.0024 0.0509 145 VAL I CG2 7235 N N . ASN E 146 ? 0.5960 0.5274 0.4369 -0.0193 -0.0270 0.0656 146 ASN I N 7236 C CA . ASN E 146 ? 0.6637 0.5996 0.4957 -0.0218 -0.0351 0.0702 146 ASN I CA 7237 C C . ASN E 146 ? 0.7061 0.6292 0.5203 -0.0167 -0.0329 0.0748 146 ASN I C 7238 O O . ASN E 146 ? 0.7087 0.6253 0.5273 -0.0108 -0.0280 0.0762 146 ASN I O 7239 C CB . ASN E 146 ? 0.6573 0.6134 0.5115 -0.0178 -0.0444 0.0775 146 ASN I CB 7240 C CG . ASN E 146 ? 0.6811 0.6565 0.5580 -0.0217 -0.0465 0.0729 146 ASN I CG 7241 O OD1 . ASN E 146 ? 0.7863 0.7704 0.6596 -0.0319 -0.0502 0.0681 146 ASN I OD1 7242 N ND2 . ASN E 146 ? 0.5925 0.5757 0.4943 -0.0139 -0.0435 0.0730 146 ASN I ND2 7243 N N . HIS E 147 ? 0.7149 0.6368 0.5092 -0.0196 -0.0365 0.0759 147 HIS I N 7244 C CA . HIS E 147 ? 0.7335 0.6513 0.5148 -0.0140 -0.0343 0.0830 147 HIS I CA 7245 C C . HIS E 147 ? 0.6564 0.5865 0.4548 -0.0092 -0.0398 0.0961 147 HIS I C 7246 O O . HIS E 147 ? 0.6111 0.5538 0.4110 -0.0102 -0.0491 0.1011 147 HIS I O 7247 C CB . HIS E 147 ? 0.7085 0.6218 0.4602 -0.0175 -0.0355 0.0791 147 HIS I CB 7248 C CG . HIS E 147 ? 0.7907 0.7075 0.5289 -0.0120 -0.0337 0.0887 147 HIS I CG 7249 N ND1 . HIS E 147 ? 0.8521 0.7648 0.5934 -0.0058 -0.0242 0.0940 147 HIS I ND1 7250 C CD2 . HIS E 147 ? 0.7403 0.6666 0.4618 -0.0122 -0.0397 0.0949 147 HIS I CD2 7251 C CE1 . HIS E 147 ? 0.7961 0.7153 0.5244 -0.0031 -0.0223 0.1036 147 HIS I CE1 7252 N NE2 . HIS E 147 ? 0.8353 0.7616 0.5486 -0.0063 -0.0316 0.1048 147 HIS I NE2 7253 N N . SER E 148 ? 0.6541 0.5803 0.4668 -0.0042 -0.0349 0.1019 148 SER I N 7254 C CA . SER E 148 ? 0.5862 0.5173 0.4184 0.0001 -0.0388 0.1146 148 SER I CA 7255 C C . SER E 148 ? 0.6160 0.5433 0.4422 0.0016 -0.0331 0.1259 148 SER I C 7256 O O . SER E 148 ? 0.6706 0.5931 0.4917 0.0011 -0.0250 0.1214 148 SER I O 7257 C CB . SER E 148 ? 0.6334 0.5617 0.4934 0.0030 -0.0379 0.1100 148 SER I CB 7258 O OG . SER E 148 ? 0.8016 0.7362 0.6666 0.0012 -0.0399 0.0995 148 SER I OG 7259 N N . PHE E 149 ? 0.5945 0.5255 0.4221 0.0039 -0.0370 0.1420 149 PHE I N 7260 C CA . PHE E 149 ? 0.7113 0.6401 0.5322 0.0038 -0.0293 0.1551 149 PHE I CA 7261 C C . PHE E 149 ? 0.7952 0.7209 0.6323 0.0065 -0.0325 0.1746 149 PHE I C 7262 O O . PHE E 149 ? 0.7584 0.6867 0.6030 0.0109 -0.0426 0.1800 149 PHE I O 7263 C CB . PHE E 149 ? 0.7067 0.6416 0.4919 0.0030 -0.0264 0.1566 149 PHE I CB 7264 C CG . PHE E 149 ? 0.7114 0.6550 0.4782 0.0043 -0.0376 0.1631 149 PHE I CG 7265 C CD1 . PHE E 149 ? 0.7065 0.6554 0.4660 0.0019 -0.0469 0.1491 149 PHE I CD1 7266 C CD2 . PHE E 149 ? 0.8002 0.7481 0.5571 0.0073 -0.0391 0.1838 149 PHE I CD2 7267 C CE1 . PHE E 149 ? 0.7739 0.7354 0.5188 0.0023 -0.0596 0.1536 149 PHE I CE1 7268 C CE2 . PHE E 149 ? 0.8377 0.7966 0.5757 0.0097 -0.0518 0.1901 149 PHE I CE2 7269 C CZ . PHE E 149 ? 0.8326 0.8001 0.5657 0.0071 -0.0630 0.1739 149 PHE I CZ 7270 N N . ASN E 150 ? 0.8023 0.7227 0.6464 0.0041 -0.0232 0.1856 150 ASN I N 7271 C CA . ASN E 150 ? 0.7674 0.6789 0.6274 0.0049 -0.0229 0.2064 150 ASN I CA 7272 C C . ASN E 150 ? 0.7508 0.6687 0.5822 0.0054 -0.0194 0.2267 150 ASN I C 7273 O O . ASN E 150 ? 0.8873 0.8137 0.6981 0.0023 -0.0094 0.2252 150 ASN I O 7274 C CB . ASN E 150 ? 0.8855 0.7872 0.7734 -0.0013 -0.0140 0.2053 150 ASN I CB 7275 C CG . ASN E 150 ? 1.0017 0.8869 0.9125 -0.0020 -0.0138 0.2239 150 ASN I CG 7276 O OD1 . ASN E 150 ? 0.9612 0.8386 0.8769 0.0053 -0.0227 0.2324 150 ASN I OD1 7277 N ND2 . ASN E 150 ? 1.0506 0.9303 0.9785 -0.0108 -0.0035 0.2308 150 ASN I ND2 7278 N N . CYS E 151 ? 0.6094 0.5244 0.4382 0.0109 -0.0273 0.2457 151 CYS I N 7279 C CA . CYS E 151 ? 0.8769 0.7982 0.6744 0.0126 -0.0249 0.2677 151 CYS I CA 7280 C C . CYS E 151 ? 0.8449 0.7533 0.6550 0.0183 -0.0305 0.2940 151 CYS I C 7281 O O . CYS E 151 ? 0.9281 0.8361 0.7494 0.0267 -0.0449 0.2942 151 CYS I O 7282 C CB . CYS E 151 ? 1.0942 1.0329 0.8545 0.0160 -0.0344 0.2590 151 CYS I CB 7283 S SG . CYS E 151 ? 1.3902 1.3398 1.1020 0.0191 -0.0329 0.2827 151 CYS I SG 7284 N N . GLY E 152 ? 0.9143 0.8125 0.7252 0.0141 -0.0183 0.3169 152 GLY I N 7285 C CA . GLY E 152 ? 0.9710 0.8519 0.7911 0.0196 -0.0218 0.3462 152 GLY I CA 7286 C C . GLY E 152 ? 1.0735 0.9330 0.9366 0.0238 -0.0292 0.3415 152 GLY I C 7287 O O . GLY E 152 ? 1.1916 1.0425 1.0602 0.0354 -0.0407 0.3569 152 GLY I O 7288 N N . GLY E 153 ? 1.0911 0.9426 0.9841 0.0160 -0.0233 0.3197 153 GLY I N 7289 C CA . GLY E 153 ? 1.1486 0.9783 1.0806 0.0195 -0.0285 0.3117 153 GLY I CA 7290 C C . GLY E 153 ? 1.1596 0.9988 1.0985 0.0309 -0.0425 0.2930 153 GLY I C 7291 O O . GLY E 153 ? 1.2030 1.0255 1.1729 0.0365 -0.0462 0.2852 153 GLY I O 7292 N N . GLU E 154 ? 1.0465 0.9121 0.9586 0.0339 -0.0496 0.2847 154 GLU I N 7293 C CA . GLU E 154 ? 0.8704 0.7505 0.7905 0.0421 -0.0616 0.2671 154 GLU I CA 7294 C C . GLU E 154 ? 0.7515 0.6477 0.6599 0.0338 -0.0583 0.2401 154 GLU I C 7295 O O . GLU E 154 ? 0.8046 0.7088 0.6866 0.0262 -0.0517 0.2390 154 GLU I O 7296 C CB . GLU E 154 ? 0.8970 0.7947 0.7991 0.0527 -0.0759 0.2826 154 GLU I CB 7297 C CG . GLU E 154 ? 0.9977 0.9148 0.9149 0.0609 -0.0887 0.2670 154 GLU I CG 7298 C CD . GLU E 154 ? 1.2363 1.1716 1.1442 0.0730 -0.1054 0.2853 154 GLU I CD 7299 O OE1 . GLU E 154 ? 1.3365 1.2908 1.2642 0.0813 -0.1167 0.2762 154 GLU I OE1 7300 O OE2 . GLU E 154 ? 1.2848 1.2179 1.1659 0.0745 -0.1070 0.3093 154 GLU I OE2 7301 N N . PHE E 155 ? 0.7395 0.6396 0.6674 0.0362 -0.0616 0.2191 155 PHE I N 7302 C CA . PHE E 155 ? 0.5459 0.4571 0.4650 0.0291 -0.0581 0.1951 155 PHE I CA 7303 C C . PHE E 155 ? 0.6362 0.5702 0.5434 0.0312 -0.0680 0.1880 155 PHE I C 7304 O O . PHE E 155 ? 0.6850 0.6283 0.6088 0.0398 -0.0776 0.1914 155 PHE I O 7305 C CB . PHE E 155 ? 0.5538 0.4544 0.4994 0.0290 -0.0535 0.1768 155 PHE I CB 7306 C CG . PHE E 155 ? 0.7290 0.6319 0.6640 0.0204 -0.0460 0.1585 155 PHE I CG 7307 C CD1 . PHE E 155 ? 0.6027 0.4991 0.5309 0.0132 -0.0379 0.1613 155 PHE I CD1 7308 C CD2 . PHE E 155 ? 0.8233 0.7359 0.7565 0.0200 -0.0466 0.1400 155 PHE I CD2 7309 C CE1 . PHE E 155 ? 0.7363 0.6364 0.6559 0.0080 -0.0324 0.1458 155 PHE I CE1 7310 C CE2 . PHE E 155 ? 0.8328 0.7451 0.7542 0.0139 -0.0403 0.1259 155 PHE I CE2 7311 C CZ . PHE E 155 ? 0.7621 0.6684 0.6769 0.0091 -0.0341 0.1287 155 PHE I CZ 7312 N N . PHE E 156 ? 0.6306 0.5738 0.5112 0.0232 -0.0657 0.1776 156 PHE I N 7313 C CA . PHE E 156 ? 0.6939 0.6569 0.5612 0.0213 -0.0750 0.1697 156 PHE I CA 7314 C C . PHE E 156 ? 0.7095 0.6734 0.5745 0.0136 -0.0695 0.1475 156 PHE I C 7315 O O . PHE E 156 ? 0.8229 0.7742 0.6788 0.0092 -0.0591 0.1404 156 PHE I O 7316 C CB . PHE E 156 ? 0.6145 0.5851 0.4457 0.0187 -0.0791 0.1785 156 PHE I CB 7317 C CG . PHE E 156 ? 0.6575 0.6288 0.4839 0.0266 -0.0852 0.2034 156 PHE I CG 7318 C CD1 . PHE E 156 ? 0.7222 0.7101 0.5564 0.0346 -0.1010 0.2128 156 PHE I CD1 7319 C CD2 . PHE E 156 ? 0.7798 0.7369 0.5945 0.0263 -0.0749 0.2190 156 PHE I CD2 7320 C CE1 . PHE E 156 ? 0.7683 0.7554 0.5954 0.0437 -0.1073 0.2387 156 PHE I CE1 7321 C CE2 . PHE E 156 ? 0.9009 0.8562 0.7088 0.0331 -0.0791 0.2451 156 PHE I CE2 7322 C CZ . PHE E 156 ? 0.8178 0.7865 0.6301 0.0427 -0.0957 0.2556 156 PHE I CZ 7323 N N . TYR E 157 ? 0.6706 0.6507 0.5446 0.0119 -0.0765 0.1380 157 TYR I N 7324 C CA . TYR E 157 ? 0.6651 0.6455 0.5386 0.0039 -0.0708 0.1196 157 TYR I CA 7325 C C . TYR E 157 ? 0.6746 0.6687 0.5305 -0.0049 -0.0785 0.1128 157 TYR I C 7326 O O . TYR E 157 ? 0.5953 0.6112 0.4626 -0.0039 -0.0907 0.1159 157 TYR I O 7327 C CB . TYR E 157 ? 0.5792 0.5671 0.4852 0.0078 -0.0690 0.1127 157 TYR I CB 7328 C CG . TYR E 157 ? 0.5309 0.5048 0.4564 0.0164 -0.0631 0.1154 157 TYR I CG 7329 C CD1 . TYR E 157 ? 0.4960 0.4691 0.4397 0.0268 -0.0688 0.1289 157 TYR I CD1 7330 C CD2 . TYR E 157 ? 0.5612 0.5219 0.4872 0.0144 -0.0526 0.1039 157 TYR I CD2 7331 C CE1 . TYR E 157 ? 0.5554 0.5114 0.5183 0.0335 -0.0634 0.1291 157 TYR I CE1 7332 C CE2 . TYR E 157 ? 0.5802 0.5282 0.5238 0.0209 -0.0486 0.1030 157 TYR I CE2 7333 C CZ . TYR E 157 ? 0.5891 0.5334 0.5520 0.0297 -0.0537 0.1146 157 TYR I CZ 7334 O OH . TYR E 157 ? 0.7675 0.6947 0.7483 0.0348 -0.0497 0.1115 157 TYR I OH 7335 N N . CYS E 158 ? 0.7178 0.6992 0.5481 -0.0132 -0.0721 0.1026 158 CYS I N 7336 C CA . CYS E 158 ? 0.7227 0.7105 0.5335 -0.0234 -0.0787 0.0932 158 CYS I CA 7337 C C . CYS E 158 ? 0.7568 0.7328 0.5660 -0.0332 -0.0701 0.0780 158 CYS I C 7338 O O . CYS E 158 ? 0.8002 0.7558 0.6010 -0.0313 -0.0583 0.0752 158 CYS I O 7339 C CB . CYS E 158 ? 0.7645 0.7439 0.5388 -0.0233 -0.0794 0.0958 158 CYS I CB 7340 S SG . CYS E 158 ? 1.1163 1.1054 0.8861 -0.0121 -0.0862 0.1180 158 CYS I SG 7341 N N . ALA E 159 ? 0.7798 0.7695 0.5978 -0.0438 -0.0764 0.0692 159 ALA I N 7342 C CA . ALA E 159 ? 0.7130 0.6904 0.5311 -0.0549 -0.0674 0.0572 159 ALA I CA 7343 C C . ALA E 159 ? 0.7912 0.7424 0.5741 -0.0610 -0.0636 0.0485 159 ALA I C 7344 O O . ALA E 159 ? 0.7217 0.6759 0.4859 -0.0664 -0.0730 0.0436 159 ALA I O 7345 C CB . ALA E 159 ? 0.5970 0.5994 0.4398 -0.0665 -0.0744 0.0513 159 ALA I CB 7346 N N . SER E 160 ? 0.8260 0.7515 0.5986 -0.0589 -0.0504 0.0461 160 SER I N 7347 C CA . SER E 160 ? 0.8255 0.7233 0.5663 -0.0599 -0.0449 0.0389 160 SER I CA 7348 C C . SER E 160 ? 0.8121 0.6897 0.5467 -0.0732 -0.0401 0.0278 160 SER I C 7349 O O . SER E 160 ? 0.8244 0.6724 0.5349 -0.0719 -0.0330 0.0220 160 SER I O 7350 C CB . SER E 160 ? 0.8105 0.6932 0.5437 -0.0463 -0.0344 0.0449 160 SER I CB 7351 O OG . SER E 160 ? 0.6450 0.5243 0.3943 -0.0441 -0.0270 0.0474 160 SER I OG 7352 N N . THR E 161 ? 0.8051 0.6978 0.5625 -0.0857 -0.0430 0.0254 161 THR I N 7353 C CA . THR E 161 ? 0.8650 0.7378 0.6208 -0.1006 -0.0361 0.0176 161 THR I CA 7354 C C . THR E 161 ? 0.8887 0.7363 0.6172 -0.1101 -0.0395 0.0044 161 THR I C 7355 O O . THR E 161 ? 0.9164 0.7276 0.6278 -0.1129 -0.0296 -0.0002 161 THR I O 7356 C CB . THR E 161 ? 0.8810 0.7829 0.6701 -0.1143 -0.0394 0.0171 161 THR I CB 7357 O OG1 . THR E 161 ? 0.9587 0.8845 0.7718 -0.1026 -0.0366 0.0273 161 THR I OG1 7358 C CG2 . THR E 161 ? 0.8193 0.7005 0.6102 -0.1305 -0.0284 0.0129 161 THR I CG2 7359 N N . GLN E 162 ? 0.7439 0.6088 0.4661 -0.1140 -0.0537 -0.0022 162 GLN I N 7360 C CA . GLN E 162 ? 0.8607 0.7035 0.5554 -0.1240 -0.0585 -0.0185 162 GLN I CA 7361 C C . GLN E 162 ? 0.9190 0.7287 0.5788 -0.1096 -0.0495 -0.0213 162 GLN I C 7362 O O . GLN E 162 ? 0.9989 0.7817 0.6332 -0.1158 -0.0498 -0.0368 162 GLN I O 7363 C CB . GLN E 162 ? 0.8361 0.7107 0.5296 -0.1299 -0.0777 -0.0246 162 GLN I CB 7364 C CG . GLN E 162 ? 0.8626 0.7741 0.5930 -0.1448 -0.0890 -0.0247 162 GLN I CG 7365 C CD . GLN E 162 ? 1.0819 1.0249 0.8078 -0.1498 -0.1107 -0.0315 162 GLN I CD 7366 O OE1 . GLN E 162 ? 1.1752 1.1146 0.8921 -0.1676 -0.1206 -0.0492 162 GLN I OE1 7367 N NE2 . GLN E 162 ? 1.0591 1.0319 0.7901 -0.1342 -0.1189 -0.0173 162 GLN I NE2 7368 N N . LEU E 163 ? 0.8164 0.6282 0.4761 -0.0909 -0.0415 -0.0082 163 LEU I N 7369 C CA . LEU E 163 ? 0.8481 0.6354 0.4809 -0.0760 -0.0321 -0.0097 163 LEU I CA 7370 C C . LEU E 163 ? 0.9005 0.6523 0.5294 -0.0718 -0.0184 -0.0095 163 LEU I C 7371 O O . LEU E 163 ? 0.9627 0.6892 0.5692 -0.0607 -0.0107 -0.0145 163 LEU I O 7372 C CB . LEU E 163 ? 0.8067 0.6166 0.4444 -0.0592 -0.0306 0.0047 163 LEU I CB 7373 C CG . LEU E 163 ? 0.8738 0.7012 0.4934 -0.0534 -0.0367 0.0055 163 LEU I CG 7374 C CD1 . LEU E 163 ? 0.9753 0.8240 0.5951 -0.0663 -0.0531 0.0003 163 LEU I CD1 7375 C CD2 . LEU E 163 ? 0.8011 0.6492 0.4352 -0.0403 -0.0336 0.0233 163 LEU I CD2 7376 N N . PHE E 164 ? 0.8867 0.6371 0.5362 -0.0788 -0.0147 -0.0030 164 PHE I N 7377 C CA . PHE E 164 ? 0.9820 0.7004 0.6263 -0.0733 -0.0023 0.0012 164 PHE I CA 7378 C C . PHE E 164 ? 0.9581 0.6575 0.6084 -0.0932 0.0002 -0.0031 164 PHE I C 7379 O O . PHE E 164 ? 0.9455 0.6527 0.6137 -0.0983 0.0049 0.0064 164 PHE I O 7380 C CB . PHE E 164 ? 0.9592 0.6945 0.6190 -0.0601 0.0022 0.0162 164 PHE I CB 7381 C CG . PHE E 164 ? 0.8519 0.6068 0.5112 -0.0440 0.0002 0.0210 164 PHE I CG 7382 C CD1 . PHE E 164 ? 0.8881 0.6263 0.5291 -0.0295 0.0060 0.0190 164 PHE I CD1 7383 C CD2 . PHE E 164 ? 0.8494 0.6390 0.5286 -0.0432 -0.0064 0.0278 164 PHE I CD2 7384 C CE1 . PHE E 164 ? 0.8559 0.6150 0.4997 -0.0166 0.0059 0.0243 164 PHE I CE1 7385 C CE2 . PHE E 164 ? 0.8681 0.6732 0.5485 -0.0306 -0.0070 0.0337 164 PHE I CE2 7386 C CZ . PHE E 164 ? 0.8072 0.5986 0.4705 -0.0185 -0.0005 0.0322 164 PHE I CZ 7387 N N . ALA E 165 ? 1.0148 0.6881 0.6493 -0.1052 -0.0021 -0.0181 165 ALA I N 7388 C CA . ALA E 165 ? 1.0279 0.6805 0.6696 -0.1277 0.0003 -0.0235 165 ALA I CA 7389 C C . ALA E 165 ? 1.0944 0.6986 0.7097 -0.1332 0.0024 -0.0399 165 ALA I C 7390 O O . ALA E 165 ? 1.1311 0.7326 0.7459 -0.1531 -0.0062 -0.0563 165 ALA I O 7391 C CB . ALA E 165 ? 1.1008 0.7937 0.7688 -0.1477 -0.0115 -0.0278 165 ALA I CB 7392 N N . SER E 166 ? 1.0986 0.6647 0.6930 -0.1152 0.0131 -0.0368 166 SER I N 7393 C CA . SER E 166 ? 1.0921 0.6073 0.6607 -0.1163 0.0167 -0.0531 166 SER I CA 7394 C C . SER E 166 ? 1.1891 0.6580 0.7473 -0.1026 0.0311 -0.0419 166 SER I C 7395 O O . SER E 166 ? 1.2672 0.7488 0.8330 -0.0876 0.0366 -0.0228 166 SER I O 7396 C CB . SER E 166 ? 0.9900 0.5112 0.5357 -0.1012 0.0120 -0.0672 166 SER I CB 7397 O OG . SER E 166 ? 1.0792 0.6229 0.6250 -0.0757 0.0163 -0.0535 166 SER I OG 7398 N N . THR E 167 ? 1.2082 0.6221 0.7480 -0.1073 0.0362 -0.0546 167 THR I N 7399 C CA . THR E 167 ? 1.2440 0.6051 0.7704 -0.0930 0.0493 -0.0451 167 THR I CA 7400 C C . THR E 167 ? 1.3545 0.6779 0.8540 -0.0753 0.0523 -0.0628 167 THR I C 7401 O O . THR E 167 ? 1.4533 0.7709 0.9414 -0.0863 0.0460 -0.0867 167 THR I O 7402 C CB . THR E 167 ? 1.2785 0.5989 0.8109 -0.1176 0.0557 -0.0409 167 THR I CB 7403 O OG1 . THR E 167 ? 1.3692 0.7298 0.9274 -0.1333 0.0548 -0.0252 167 THR I OG1 7404 C CG2 . THR E 167 ? 1.2245 0.4871 0.7409 -0.1008 0.0691 -0.0271 167 THR I CG2 7405 N N . TRP E 168 ? 1.3118 0.6120 0.8011 -0.0468 0.0617 -0.0520 168 TRP I N 7406 C CA . TRP E 168 ? 1.3381 0.6092 0.8051 -0.0240 0.0666 -0.0673 168 TRP I CA 7407 C C . TRP E 168 ? 1.5158 0.7290 0.9729 -0.0054 0.0782 -0.0567 168 TRP I C 7408 O O . TRP E 168 ? 1.4973 0.7218 0.9624 0.0126 0.0816 -0.0332 168 TRP I O 7409 C CB . TRP E 168 ? 1.2794 0.6023 0.7487 -0.0006 0.0647 -0.0650 168 TRP I CB 7410 C CG . TRP E 168 ? 1.3225 0.7015 0.8014 -0.0166 0.0534 -0.0701 168 TRP I CG 7411 C CD1 . TRP E 168 ? 1.2863 0.7133 0.7885 -0.0256 0.0467 -0.0539 168 TRP I CD1 7412 C CD2 . TRP E 168 ? 1.3009 0.6922 0.7646 -0.0242 0.0471 -0.0926 168 TRP I CD2 7413 N NE1 . TRP E 168 ? 1.1225 0.5895 0.6272 -0.0372 0.0365 -0.0632 168 TRP I NE1 7414 C CE2 . TRP E 168 ? 1.2288 0.6763 0.7088 -0.0369 0.0360 -0.0862 168 TRP I CE2 7415 C CE3 . TRP E 168 ? 1.2704 0.6302 0.7063 -0.0204 0.0497 -0.1181 168 TRP I CE3 7416 C CZ2 . TRP E 168 ? 1.2326 0.7064 0.7010 -0.0455 0.0266 -0.1016 168 TRP I CZ2 7417 C CZ3 . TRP E 168 ? 1.3618 0.7493 0.7842 -0.0299 0.0407 -0.1354 168 TRP I CZ3 7418 C CH2 . TRP E 168 ? 1.3217 0.7662 0.7599 -0.0422 0.0288 -0.1258 168 TRP I CH2 7419 N N . PHE E 169 ? 1.6432 0.7938 1.0823 -0.0088 0.0835 -0.0742 169 PHE I N 7420 C CA . PHE E 169 ? 1.6603 0.7472 1.0886 0.0100 0.0948 -0.0645 169 PHE I CA 7421 C C . PHE E 169 ? 1.6458 0.7242 1.0613 0.0482 0.1009 -0.0722 169 PHE I C 7422 O O . PHE E 169 ? 1.6920 0.7778 1.0956 0.0522 0.1002 -0.0974 169 PHE I O 7423 C CB . PHE E 169 ? 1.7931 0.8093 1.2107 -0.0139 0.0986 -0.0790 169 PHE I CB 7424 C CG . PHE E 169 ? 1.8820 0.9050 1.3162 -0.0522 0.0949 -0.0705 169 PHE I CG 7425 C CD1 . PHE E 169 ? 1.9906 0.9857 1.4309 -0.0573 0.1028 -0.0432 169 PHE I CD1 7426 C CD2 . PHE E 169 ? 1.8712 0.9314 1.3152 -0.0822 0.0838 -0.0887 169 PHE I CD2 7427 C CE1 . PHE E 169 ? 2.0018 1.0069 1.4594 -0.0927 0.1020 -0.0350 169 PHE I CE1 7428 C CE2 . PHE E 169 ? 1.9048 0.9769 1.3691 -0.1166 0.0810 -0.0811 169 PHE I CE2 7429 C CZ . PHE E 169 ? 1.9521 0.9971 1.4241 -0.1223 0.0913 -0.0546 169 PHE I CZ 7430 N N . ASP F 1 ? 1.3113 1.6973 1.8014 -0.0204 0.1491 0.0182 1 ASP L N 7431 C CA . ASP F 1 ? 1.2705 1.6136 1.7157 -0.0320 0.1541 0.0096 1 ASP L CA 7432 C C . ASP F 1 ? 1.1070 1.4086 1.5192 -0.0167 0.1617 0.0015 1 ASP L C 7433 O O . ASP F 1 ? 0.9681 1.2733 1.3930 0.0032 0.1719 0.0015 1 ASP L O 7434 C CB . ASP F 1 ? 1.1952 1.5215 1.6195 -0.0514 0.1329 0.0084 1 ASP L CB 7435 C CG . ASP F 1 ? 1.1063 1.4641 1.5533 -0.0724 0.1281 0.0139 1 ASP L CG 7436 O OD1 . ASP F 1 ? 0.9973 1.3795 1.4635 -0.0773 0.1444 0.0172 1 ASP L OD1 7437 O OD2 . ASP F 1 ? 1.0554 1.4127 1.4998 -0.0850 0.1087 0.0144 1 ASP L OD2 7438 N N . ILE F 2 ? 0.9118 1.1740 1.2817 -0.0265 0.1568 -0.0049 2 ILE L N 7439 C CA . ILE F 2 ? 0.7342 0.9569 1.0684 -0.0172 0.1632 -0.0130 2 ILE L CA 7440 C C . ILE F 2 ? 0.6827 0.8834 1.0007 -0.0144 0.1425 -0.0148 2 ILE L C 7441 O O . ILE F 2 ? 0.7311 0.9377 1.0531 -0.0243 0.1244 -0.0114 2 ILE L O 7442 C CB . ILE F 2 ? 0.8531 1.0507 1.1515 -0.0303 0.1732 -0.0174 2 ILE L CB 7443 C CG1 . ILE F 2 ? 0.7973 1.0206 1.1138 -0.0365 0.1924 -0.0142 2 ILE L CG1 7444 C CG2 . ILE F 2 ? 0.9194 1.0816 1.1824 -0.0219 0.1823 -0.0261 2 ILE L CG2 7445 C CD1 . ILE F 2 ? 0.8066 1.0092 1.0894 -0.0517 0.2013 -0.0160 2 ILE L CD1 7446 N N . VAL F 3 ? 0.6458 0.8208 0.9451 -0.0014 0.1462 -0.0205 3 VAL L N 7447 C CA . VAL F 3 ? 0.6407 0.7936 0.9232 0.0018 0.1290 -0.0224 3 VAL L CA 7448 C C . VAL F 3 ? 0.5752 0.6903 0.8139 -0.0052 0.1294 -0.0295 3 VAL L C 7449 O O . VAL F 3 ? 0.6652 0.7635 0.8852 -0.0016 0.1451 -0.0355 3 VAL L O 7450 C CB . VAL F 3 ? 0.5721 0.7256 0.8688 0.0214 0.1311 -0.0219 3 VAL L CB 7451 C CG1 . VAL F 3 ? 0.5593 0.6897 0.8372 0.0231 0.1139 -0.0235 3 VAL L CG1 7452 C CG2 . VAL F 3 ? 0.4664 0.6621 0.8089 0.0290 0.1298 -0.0123 3 VAL L CG2 7453 N N . MET F 4 ? 0.5016 0.6042 0.7240 -0.0154 0.1126 -0.0287 4 MET L N 7454 C CA . MET F 4 ? 0.5198 0.5907 0.7040 -0.0214 0.1095 -0.0330 4 MET L CA 7455 C C . MET F 4 ? 0.4956 0.5497 0.6698 -0.0132 0.0986 -0.0358 4 MET L C 7456 O O . MET F 4 ? 0.3887 0.4510 0.5771 -0.0109 0.0848 -0.0325 4 MET L O 7457 C CB . MET F 4 ? 0.5127 0.5793 0.6861 -0.0362 0.0992 -0.0292 4 MET L CB 7458 C CG . MET F 4 ? 0.5381 0.6230 0.7251 -0.0464 0.1072 -0.0249 4 MET L CG 7459 S SD . MET F 4 ? 0.7359 0.8144 0.9046 -0.0488 0.1295 -0.0276 4 MET L SD 7460 C CE . MET F 4 ? 0.6569 0.7017 0.7813 -0.0567 0.1220 -0.0281 4 MET L CE 7461 N N . THR F 5 ? 0.5356 0.5661 0.6841 -0.0103 0.1050 -0.0420 5 THR L N 7462 C CA . THR F 5 ? 0.6587 0.6714 0.7959 -0.0039 0.0969 -0.0451 5 THR L CA 7463 C C . THR F 5 ? 0.6456 0.6372 0.7503 -0.0137 0.0888 -0.0471 5 THR L C 7464 O O . THR F 5 ? 0.6343 0.6150 0.7160 -0.0204 0.0971 -0.0502 5 THR L O 7465 C CB . THR F 5 ? 0.7251 0.7277 0.8613 0.0077 0.1117 -0.0510 5 THR L CB 7466 O OG1 . THR F 5 ? 0.7832 0.8094 0.9541 0.0188 0.1188 -0.0467 5 THR L OG1 7467 C CG2 . THR F 5 ? 0.6668 0.6490 0.7906 0.0129 0.1038 -0.0539 5 THR L CG2 7468 N N . GLN F 6 ? 0.5000 0.4877 0.6031 -0.0147 0.0727 -0.0445 6 GLN L N 7469 C CA . GLN F 6 ? 0.6932 0.6647 0.7703 -0.0222 0.0640 -0.0447 6 GLN L CA 7470 C C . GLN F 6 ? 0.7172 0.6725 0.7805 -0.0182 0.0610 -0.0493 6 GLN L C 7471 O O . GLN F 6 ? 0.7394 0.6961 0.8160 -0.0101 0.0568 -0.0492 6 GLN L O 7472 C CB . GLN F 6 ? 0.5692 0.5456 0.6522 -0.0264 0.0498 -0.0387 6 GLN L CB 7473 C CG . GLN F 6 ? 0.5788 0.5626 0.6649 -0.0345 0.0520 -0.0343 6 GLN L CG 7474 C CD . GLN F 6 ? 0.6095 0.5917 0.6976 -0.0384 0.0396 -0.0297 6 GLN L CD 7475 O OE1 . GLN F 6 ? 0.5595 0.5527 0.6648 -0.0411 0.0371 -0.0275 6 GLN L OE1 7476 N NE2 . GLN F 6 ? 0.4826 0.4515 0.5534 -0.0390 0.0319 -0.0285 6 GLN L NE2 7477 N N . SER F 7 ? 0.7225 0.6631 0.7583 -0.0250 0.0624 -0.0526 7 SER L N 7478 C CA . SER F 7 ? 0.7587 0.6838 0.7788 -0.0250 0.0585 -0.0571 7 SER L CA 7479 C C . SER F 7 ? 0.7846 0.7051 0.7834 -0.0349 0.0482 -0.0542 7 SER L C 7480 O O . SER F 7 ? 0.7798 0.7018 0.7651 -0.0424 0.0502 -0.0519 7 SER L O 7481 C CB . SER F 7 ? 0.7435 0.6538 0.7501 -0.0236 0.0736 -0.0661 7 SER L CB 7482 O OG . SER F 7 ? 0.9345 0.8395 0.9169 -0.0336 0.0806 -0.0690 7 SER L OG 7483 N N . PRO F 8 ? 0.6791 0.5956 0.6758 -0.0346 0.0372 -0.0532 8 PRO L N 7484 C CA . PRO F 8 ? 0.6662 0.5811 0.6780 -0.0261 0.0343 -0.0543 8 PRO L CA 7485 C C . PRO F 8 ? 0.6816 0.6105 0.7160 -0.0210 0.0258 -0.0478 8 PRO L C 7486 O O . PRO F 8 ? 0.8992 0.8362 0.9366 -0.0246 0.0233 -0.0433 8 PRO L O 7487 C CB . PRO F 8 ? 0.6629 0.5680 0.6587 -0.0312 0.0267 -0.0558 8 PRO L CB 7488 C CG . PRO F 8 ? 0.5263 0.4376 0.5103 -0.0396 0.0192 -0.0505 8 PRO L CG 7489 C CD . PRO F 8 ? 0.5718 0.4855 0.5493 -0.0432 0.0278 -0.0506 8 PRO L CD 7490 N N . ASP F 9 ? 0.5490 0.4791 0.5969 -0.0138 0.0218 -0.0472 9 ASP L N 7491 C CA . ASP F 9 ? 0.6403 0.5830 0.7059 -0.0108 0.0133 -0.0421 9 ASP L CA 7492 C C . ASP F 9 ? 0.6746 0.6153 0.7331 -0.0144 0.0023 -0.0391 9 ASP L C 7493 O O . ASP F 9 ? 0.6907 0.6388 0.7581 -0.0147 -0.0036 -0.0358 9 ASP L O 7494 C CB . ASP F 9 ? 0.8804 0.8275 0.9627 -0.0017 0.0130 -0.0414 9 ASP L CB 7495 C CG . ASP F 9 ? 1.1922 1.1471 1.2892 0.0043 0.0238 -0.0420 9 ASP L CG 7496 O OD1 . ASP F 9 ? 1.3397 1.3026 1.4397 0.0005 0.0295 -0.0421 9 ASP L OD1 7497 O OD2 . ASP F 9 ? 1.2318 1.1854 1.3383 0.0134 0.0273 -0.0415 9 ASP L OD2 7498 N N . SER F 10 ? 0.6285 0.5598 0.6716 -0.0176 0.0003 -0.0406 10 SER L N 7499 C CA . SER F 10 ? 0.5759 0.5076 0.6133 -0.0205 -0.0087 -0.0370 10 SER L CA 7500 C C . SER F 10 ? 0.5986 0.5260 0.6177 -0.0279 -0.0086 -0.0373 10 SER L C 7501 O O . SER F 10 ? 0.6321 0.5510 0.6396 -0.0311 -0.0033 -0.0425 10 SER L O 7502 C CB . SER F 10 ? 0.6536 0.5830 0.6944 -0.0169 -0.0138 -0.0370 10 SER L CB 7503 O OG . SER F 10 ? 0.9364 0.8720 0.9920 -0.0114 -0.0162 -0.0355 10 SER L OG 7504 N N . LEU F 11 ? 0.5659 0.4988 0.5819 -0.0307 -0.0144 -0.0315 11 LEU L N 7505 C CA . LEU F 11 ? 0.5675 0.5013 0.5673 -0.0382 -0.0166 -0.0294 11 LEU L CA 7506 C C . LEU F 11 ? 0.5762 0.5178 0.5791 -0.0377 -0.0255 -0.0225 11 LEU L C 7507 O O . LEU F 11 ? 0.5535 0.4988 0.5666 -0.0327 -0.0278 -0.0172 11 LEU L O 7508 C CB . LEU F 11 ? 0.4696 0.4049 0.4625 -0.0417 -0.0126 -0.0265 11 LEU L CB 7509 C CG . LEU F 11 ? 0.6415 0.5793 0.6149 -0.0506 -0.0149 -0.0234 11 LEU L CG 7510 C CD1 . LEU F 11 ? 0.5577 0.4883 0.5156 -0.0575 -0.0125 -0.0316 11 LEU L CD1 7511 C CD2 . LEU F 11 ? 0.7447 0.6823 0.7112 -0.0534 -0.0091 -0.0207 11 LEU L CD2 7512 N N . ALA F 12 ? 0.6062 0.5499 0.6008 -0.0431 -0.0295 -0.0229 12 ALA L N 7513 C CA . ALA F 12 ? 0.4348 0.3898 0.4339 -0.0429 -0.0373 -0.0155 12 ALA L CA 7514 C C . ALA F 12 ? 0.4428 0.4072 0.4290 -0.0514 -0.0418 -0.0101 12 ALA L C 7515 O O . ALA F 12 ? 0.5025 0.4640 0.4732 -0.0613 -0.0414 -0.0152 12 ALA L O 7516 C CB . ALA F 12 ? 0.3960 0.3504 0.3982 -0.0435 -0.0395 -0.0185 12 ALA L CB 7517 N N . VAL F 13 ? 0.4042 0.3787 0.3958 -0.0477 -0.0457 0.0005 13 VAL L N 7518 C CA . VAL F 13 ? 0.5537 0.5403 0.5347 -0.0543 -0.0512 0.0090 13 VAL L CA 7519 C C . VAL F 13 ? 0.4730 0.4776 0.4665 -0.0503 -0.0590 0.0203 13 VAL L C 7520 O O . VAL F 13 ? 0.3773 0.3815 0.3872 -0.0392 -0.0576 0.0243 13 VAL L O 7521 C CB . VAL F 13 ? 0.5853 0.5679 0.5618 -0.0523 -0.0477 0.0143 13 VAL L CB 7522 C CG1 . VAL F 13 ? 0.6193 0.6128 0.5789 -0.0614 -0.0531 0.0223 13 VAL L CG1 7523 C CG2 . VAL F 13 ? 0.6175 0.5841 0.5899 -0.0526 -0.0380 0.0037 13 VAL L CG2 7524 N N . SER F 14 ? 0.4714 0.4925 0.4573 -0.0596 -0.0667 0.0254 14 SER L N 7525 C CA . SER F 14 ? 0.4718 0.5155 0.4719 -0.0553 -0.0743 0.0389 14 SER L CA 7526 C C . SER F 14 ? 0.5088 0.5567 0.5147 -0.0459 -0.0750 0.0527 14 SER L C 7527 O O . SER F 14 ? 0.5911 0.6318 0.5834 -0.0492 -0.0734 0.0541 14 SER L O 7528 C CB . SER F 14 ? 0.4750 0.5391 0.4655 -0.0697 -0.0837 0.0421 14 SER L CB 7529 O OG . SER F 14 ? 0.6862 0.7416 0.6682 -0.0800 -0.0820 0.0289 14 SER L OG 7530 N N . LEU F 15 ? 0.4729 0.5312 0.4989 -0.0339 -0.0761 0.0632 15 LEU L N 7531 C CA . LEU F 15 ? 0.3594 0.4210 0.3926 -0.0234 -0.0763 0.0784 15 LEU L CA 7532 C C . LEU F 15 ? 0.4527 0.5303 0.4723 -0.0320 -0.0847 0.0898 15 LEU L C 7533 O O . LEU F 15 ? 0.4961 0.5963 0.5117 -0.0422 -0.0939 0.0930 15 LEU L O 7534 C CB . LEU F 15 ? 0.4229 0.4981 0.4798 -0.0100 -0.0765 0.0890 15 LEU L CB 7535 C CG . LEU F 15 ? 0.5213 0.5769 0.5901 0.0016 -0.0664 0.0813 15 LEU L CG 7536 C CD1 . LEU F 15 ? 0.5222 0.5922 0.6127 0.0151 -0.0654 0.0932 15 LEU L CD1 7537 C CD2 . LEU F 15 ? 0.4013 0.4303 0.4637 0.0061 -0.0588 0.0787 15 LEU L CD2 7538 N N . GLY F 16 ? 0.4784 0.5447 0.4896 -0.0293 -0.0818 0.0960 16 GLY L N 7539 C CA . GLY F 16 ? 0.4350 0.5152 0.4307 -0.0372 -0.0895 0.1080 16 GLY L CA 7540 C C . GLY F 16 ? 0.5102 0.5836 0.4781 -0.0546 -0.0893 0.0960 16 GLY L C 7541 O O . GLY F 16 ? 0.5935 0.6751 0.5435 -0.0626 -0.0945 0.1047 16 GLY L O 7542 N N . GLU F 17 ? 0.5109 0.5687 0.4736 -0.0602 -0.0829 0.0768 17 GLU L N 7543 C CA . GLU F 17 ? 0.6109 0.6600 0.5474 -0.0756 -0.0805 0.0644 17 GLU L CA 7544 C C . GLU F 17 ? 0.5650 0.5904 0.4941 -0.0731 -0.0687 0.0572 17 GLU L C 7545 O O . GLU F 17 ? 0.5759 0.5904 0.5207 -0.0611 -0.0627 0.0592 17 GLU L O 7546 C CB . GLU F 17 ? 0.5870 0.6330 0.5212 -0.0836 -0.0799 0.0488 17 GLU L CB 7547 C CG . GLU F 17 ? 0.7322 0.8032 0.6745 -0.0885 -0.0911 0.0553 17 GLU L CG 7548 C CD . GLU F 17 ? 1.0245 1.1141 0.9451 -0.1060 -0.1014 0.0601 17 GLU L CD 7549 O OE1 . GLU F 17 ? 1.2300 1.3164 1.1303 -0.1116 -0.1012 0.0633 17 GLU L OE1 7550 O OE2 . GLU F 17 ? 1.0518 1.1598 0.9742 -0.1156 -0.1098 0.0607 17 GLU L OE2 7551 N N . ARG F 18 ? 0.6326 0.6507 0.5369 -0.0855 -0.0648 0.0486 18 ARG L N 7552 C CA . ARG F 18 ? 0.5093 0.5089 0.4059 -0.0849 -0.0529 0.0423 18 ARG L CA 7553 C C . ARG F 18 ? 0.5468 0.5300 0.4538 -0.0806 -0.0430 0.0259 18 ARG L C 7554 O O . ARG F 18 ? 0.5573 0.5384 0.4620 -0.0849 -0.0431 0.0151 18 ARG L O 7555 C CB . ARG F 18 ? 0.7081 0.7064 0.5732 -0.0995 -0.0508 0.0393 18 ARG L CB 7556 C CG . ARG F 18 ? 0.9317 0.9166 0.7892 -0.0987 -0.0393 0.0385 18 ARG L CG 7557 C CD . ARG F 18 ? 1.0441 1.0306 0.8683 -0.1131 -0.0382 0.0392 18 ARG L CD 7558 N NE . ARG F 18 ? 1.2436 1.2199 1.0489 -0.1238 -0.0310 0.0206 18 ARG L NE 7559 C CZ . ARG F 18 ? 1.4156 1.3852 1.1904 -0.1362 -0.0236 0.0142 18 ARG L CZ 7560 N NH1 . ARG F 18 ? 1.3474 1.3213 1.1068 -0.1400 -0.0234 0.0259 18 ARG L NH1 7561 N NH2 . ARG F 18 ? 1.5369 1.4936 1.2953 -0.1445 -0.0153 -0.0038 18 ARG L NH2 7562 N N . ALA F 19 ? 0.5135 0.4858 0.4324 -0.0724 -0.0348 0.0252 19 ALA L N 7563 C CA . ALA F 19 ? 0.5421 0.5021 0.4714 -0.0684 -0.0257 0.0118 19 ALA L CA 7564 C C . ALA F 19 ? 0.5563 0.5074 0.4752 -0.0723 -0.0142 0.0068 19 ALA L C 7565 O O . ALA F 19 ? 0.6998 0.6511 0.6139 -0.0733 -0.0123 0.0157 19 ALA L O 7566 C CB . ALA F 19 ? 0.4539 0.4113 0.4080 -0.0566 -0.0259 0.0143 19 ALA L CB 7567 N N . THR F 20 ? 0.5641 0.5071 0.4798 -0.0742 -0.0058 -0.0067 20 THR L N 7568 C CA A THR F 20 ? 0.6040 0.5402 0.5120 -0.0771 0.0072 -0.0126 20 THR L CA 7569 C CA B THR F 20 ? 0.6315 0.5677 0.5395 -0.0771 0.0072 -0.0127 20 THR L CA 7570 C C . THR F 20 ? 0.6255 0.5567 0.5539 -0.0690 0.0152 -0.0218 20 THR L C 7571 O O . THR F 20 ? 0.6705 0.5980 0.6042 -0.0660 0.0143 -0.0293 20 THR L O 7572 C CB A THR F 20 ? 0.7429 0.6744 0.6214 -0.0885 0.0118 -0.0198 20 THR L CB 7573 C CB B THR F 20 ? 0.7415 0.6728 0.6200 -0.0885 0.0120 -0.0200 20 THR L CB 7574 O OG1 A THR F 20 ? 0.7337 0.6728 0.5925 -0.0969 0.0049 -0.0090 20 THR L OG1 7575 O OG1 B THR F 20 ? 0.8306 0.7541 0.7044 -0.0893 0.0276 -0.0281 20 THR L OG1 7576 C CG2 A THR F 20 ? 0.8426 0.7653 0.7160 -0.0893 0.0285 -0.0293 20 THR L CG2 7577 C CG2 B THR F 20 ? 0.7590 0.6858 0.6326 -0.0912 0.0086 -0.0293 20 THR L CG2 7578 N N . ILE F 21 ? 0.5102 0.4425 0.4509 -0.0660 0.0225 -0.0201 21 ILE L N 7579 C CA . ILE F 21 ? 0.5227 0.4554 0.4850 -0.0589 0.0293 -0.0266 21 ILE L CA 7580 C C . ILE F 21 ? 0.5352 0.4675 0.4932 -0.0616 0.0441 -0.0311 21 ILE L C 7581 O O . ILE F 21 ? 0.5517 0.4855 0.5000 -0.0675 0.0481 -0.0255 21 ILE L O 7582 C CB . ILE F 21 ? 0.5870 0.5247 0.5717 -0.0537 0.0241 -0.0205 21 ILE L CB 7583 C CG1 . ILE F 21 ? 0.6072 0.5447 0.5953 -0.0503 0.0115 -0.0163 21 ILE L CG1 7584 C CG2 . ILE F 21 ? 0.6666 0.6091 0.6736 -0.0479 0.0296 -0.0263 21 ILE L CG2 7585 C CD1 . ILE F 21 ? 0.6706 0.6089 0.6751 -0.0466 0.0075 -0.0108 21 ILE L CD1 7586 N N . ASN F 22 ? 0.5994 0.5296 0.5648 -0.0568 0.0531 -0.0404 22 ASN L N 7587 C CA . ASN F 22 ? 0.6467 0.5771 0.6097 -0.0577 0.0695 -0.0455 22 ASN L CA 7588 C C . ASN F 22 ? 0.5370 0.4795 0.5315 -0.0499 0.0749 -0.0451 22 ASN L C 7589 O O . ASN F 22 ? 0.7145 0.6624 0.7298 -0.0432 0.0669 -0.0438 22 ASN L O 7590 C CB . ASN F 22 ? 0.7026 0.6199 0.6481 -0.0580 0.0788 -0.0567 22 ASN L CB 7591 C CG . ASN F 22 ? 1.1562 1.0711 1.0921 -0.0603 0.0977 -0.0624 22 ASN L CG 7592 O OD1 . ASN F 22 ? 1.1673 1.0867 1.1231 -0.0518 0.1098 -0.0662 22 ASN L OD1 7593 N ND2 . ASN F 22 ? 1.3416 1.2511 1.2473 -0.0716 0.1007 -0.0622 22 ASN L ND2 7594 N N . CYS F 23 ? 0.5111 0.4598 0.5085 -0.0518 0.0886 -0.0456 23 CYS L N 7595 C CA . CYS F 23 ? 0.7053 0.6704 0.7339 -0.0463 0.0944 -0.0442 23 CYS L CA 7596 C C . CYS F 23 ? 0.6943 0.6627 0.7203 -0.0467 0.1141 -0.0486 23 CYS L C 7597 O O . CYS F 23 ? 0.7051 0.6686 0.7089 -0.0558 0.1207 -0.0474 23 CYS L O 7598 C CB . CYS F 23 ? 0.8079 0.7823 0.8484 -0.0517 0.0858 -0.0351 23 CYS L CB 7599 S SG . CYS F 23 ? 0.9840 0.9816 1.0585 -0.0520 0.0927 -0.0318 23 CYS L SG 7600 N N . LYS F 24 ? 0.6315 0.6077 0.6787 -0.0364 0.1243 -0.0531 24 LYS L N 7601 C CA . LYS F 24 ? 0.7169 0.6986 0.7667 -0.0348 0.1454 -0.0570 24 LYS L CA 7602 C C . LYS F 24 ? 0.6043 0.6118 0.6952 -0.0261 0.1503 -0.0532 24 LYS L C 7603 O O . LYS F 24 ? 0.5753 0.5916 0.6893 -0.0181 0.1397 -0.0506 24 LYS L O 7604 C CB . LYS F 24 ? 0.8981 0.8599 0.9274 -0.0299 0.1586 -0.0680 24 LYS L CB 7605 C CG . LYS F 24 ? 0.9788 0.9325 1.0189 -0.0180 0.1538 -0.0717 24 LYS L CG 7606 C CD . LYS F 24 ? 1.1277 1.0533 1.1365 -0.0185 0.1642 -0.0831 24 LYS L CD 7607 C CE . LYS F 24 ? 1.0909 1.0020 1.0599 -0.0346 0.1570 -0.0850 24 LYS L CE 7608 N NZ . LYS F 24 ? 1.0932 0.9769 1.0289 -0.0385 0.1647 -0.0969 24 LYS L NZ 7609 N N . SER F 25 ? 0.6487 0.6702 0.7484 -0.0285 0.1663 -0.0522 25 SER L N 7610 C CA . SER F 25 ? 0.5959 0.6472 0.7366 -0.0216 0.1722 -0.0477 25 SER L CA 7611 C C . SER F 25 ? 0.6391 0.6923 0.7920 -0.0067 0.1911 -0.0534 25 SER L C 7612 O O . SER F 25 ? 0.6965 0.7273 0.8222 -0.0053 0.2051 -0.0622 25 SER L O 7613 C CB . SER F 25 ? 0.6740 0.7434 0.8224 -0.0332 0.1793 -0.0419 25 SER L CB 7614 O OG . SER F 25 ? 0.8940 0.9553 1.0212 -0.0367 0.1995 -0.0466 25 SER L OG 7615 N N . SER F 26 ? 0.7241 0.8040 0.9178 0.0045 0.1916 -0.0482 26 SER L N 7616 C CA . SER F 26 ? 0.7454 0.8319 0.9588 0.0214 0.2108 -0.0509 26 SER L CA 7617 C C . SER F 26 ? 0.7934 0.8965 1.0161 0.0202 0.2342 -0.0514 26 SER L C 7618 O O . SER F 26 ? 1.0623 1.1721 1.3031 0.0352 0.2536 -0.0535 26 SER L O 7619 C CB . SER F 26 ? 0.7292 0.8420 0.9849 0.0346 0.2010 -0.0425 26 SER L CB 7620 O OG . SER F 26 ? 0.7930 0.9391 1.0751 0.0251 0.1896 -0.0332 26 SER L OG 7621 N N . GLN F 27 ? 0.8487 0.9577 1.0599 0.0034 0.2341 -0.0490 27 GLN L N 7622 C CA . GLN F 27 ? 1.0837 1.2074 1.2998 -0.0001 0.2570 -0.0493 27 GLN L CA 7623 C C . GLN F 27 ? 1.2186 1.3152 1.3866 -0.0151 0.2636 -0.0550 27 GLN L C 7624 O O . GLN F 27 ? 1.3555 1.4340 1.4996 -0.0122 0.2835 -0.0641 27 GLN L O 7625 C CB . GLN F 27 ? 1.1312 1.2950 1.3850 -0.0076 0.2527 -0.0383 27 GLN L CB 7626 C CG . GLN F 27 ? 1.1808 1.3812 1.4866 0.0074 0.2533 -0.0316 27 GLN L CG 7627 C CD . GLN F 27 ? 1.2626 1.4737 1.5861 0.0236 0.2816 -0.0346 27 GLN L CD 7628 O OE1 . GLN F 27 ? 1.3814 1.5839 1.6857 0.0191 0.3030 -0.0401 27 GLN L OE1 7629 N NE2 . GLN F 27 ? 1.1982 1.4278 1.5579 0.0431 0.2825 -0.0303 27 GLN L NE2 7630 N N . LYS F 36 ? 1.5115 1.5041 1.4586 -0.1788 0.2122 0.0484 30 LYS L N 7631 C CA . LYS F 36 ? 1.5156 1.5280 1.4722 -0.1734 0.2281 0.0359 30 LYS L CA 7632 C C . LYS F 36 ? 1.4235 1.4441 1.4033 -0.1583 0.2187 0.0235 30 LYS L C 7633 O O . LYS F 36 ? 1.4303 1.4730 1.4400 -0.1525 0.2283 0.0156 30 LYS L O 7634 C CB . LYS F 36 ? 1.5707 1.5735 1.4855 -0.1758 0.2394 0.0345 30 LYS L CB 7635 C CG . LYS F 36 ? 1.6365 1.6164 1.5149 -0.1741 0.2228 0.0389 30 LYS L CG 7636 C CD . LYS F 36 ? 1.6505 1.6221 1.4838 -0.1813 0.2336 0.0399 30 LYS L CD 7637 C CE . LYS F 36 ? 1.6598 1.6131 1.4585 -0.1815 0.2151 0.0471 30 LYS L CE 7638 N NZ . LYS F 36 ? 1.6549 1.6011 1.4065 -0.1915 0.2238 0.0501 30 LYS L NZ 7639 N N . ASN F 37 ? 1.2499 1.2538 1.2170 -0.1516 0.2001 0.0232 31 ASN L N 7640 C CA . ASN F 37 ? 1.0654 1.0735 1.0517 -0.1382 0.1891 0.0133 31 ASN L CA 7641 C C . ASN F 37 ? 0.9318 0.9368 0.9383 -0.1381 0.1715 0.0184 31 ASN L C 7642 O O . ASN F 37 ? 0.9015 0.8873 0.8899 -0.1399 0.1588 0.0259 31 ASN L O 7643 C CB . ASN F 37 ? 1.0003 0.9927 0.9566 -0.1317 0.1825 0.0078 31 ASN L CB 7644 C CG . ASN F 37 ? 1.1664 1.1608 1.1050 -0.1306 0.2006 -0.0017 31 ASN L CG 7645 O OD1 . ASN F 37 ? 1.2543 1.2350 1.1547 -0.1360 0.2028 -0.0011 31 ASN L OD1 7646 N ND2 . ASN F 37 ? 1.2310 1.2427 1.1970 -0.1235 0.2142 -0.0103 31 ASN L ND2 7647 N N . TYR F 38 ? 0.9415 0.9658 0.9850 -0.1360 0.1711 0.0146 32 TYR L N 7648 C CA . TYR F 38 ? 1.0277 1.0493 1.0895 -0.1373 0.1555 0.0173 32 TYR L CA 7649 C C . TYR F 38 ? 0.9673 0.9870 1.0354 -0.1239 0.1416 0.0098 32 TYR L C 7650 O O . TYR F 38 ? 1.0689 1.1067 1.1650 -0.1179 0.1394 0.0040 32 TYR L O 7651 C CB . TYR F 38 ? 1.1427 1.1877 1.2391 -0.1452 0.1606 0.0179 32 TYR L CB 7652 C CG . TYR F 38 ? 1.2768 1.3308 1.3732 -0.1582 0.1778 0.0238 32 TYR L CG 7653 C CD1 . TYR F 38 ? 1.3330 1.3658 1.4046 -0.1699 0.1799 0.0339 32 TYR L CD1 7654 C CD2 . TYR F 38 ? 1.2592 1.3442 1.3823 -0.1585 0.1924 0.0203 32 TYR L CD2 7655 C CE1 . TYR F 38 ? 1.3708 1.4116 1.4416 -0.1828 0.1964 0.0400 32 TYR L CE1 7656 C CE2 . TYR F 38 ? 1.2979 1.3933 1.4225 -0.1710 0.2093 0.0259 32 TYR L CE2 7657 C CZ . TYR F 38 ? 1.3803 1.4530 1.4777 -0.1839 0.2113 0.0354 32 TYR L CZ 7658 O OH . TYR F 38 ? 1.4269 1.5099 1.5251 -0.1972 0.2290 0.0415 32 TYR L OH 7659 N N . LEU F 39 ? 0.7596 0.7583 0.8014 -0.1196 0.1320 0.0112 33 LEU L N 7660 C CA . LEU F 39 ? 0.6549 0.6482 0.6998 -0.1091 0.1174 0.0062 33 LEU L CA 7661 C C . LEU F 39 ? 0.6052 0.5811 0.6442 -0.1118 0.1039 0.0134 33 LEU L C 7662 O O . LEU F 39 ? 0.6098 0.5706 0.6283 -0.1177 0.1044 0.0227 33 LEU L O 7663 C CB . LEU F 39 ? 0.6524 0.6372 0.6734 -0.1020 0.1175 0.0013 33 LEU L CB 7664 C CG . LEU F 39 ? 0.5834 0.5700 0.6134 -0.0903 0.1093 -0.0074 33 LEU L CG 7665 C CD1 . LEU F 39 ? 0.4960 0.4699 0.5211 -0.0875 0.0920 -0.0040 33 LEU L CD1 7666 C CD2 . LEU F 39 ? 0.5689 0.5758 0.6334 -0.0850 0.1126 -0.0126 33 LEU L CD2 7667 N N . ALA F 40 ? 0.4781 0.4558 0.5350 -0.1073 0.0927 0.0098 34 ALA L N 7668 C CA . ALA F 40 ? 0.5322 0.4914 0.5835 -0.1078 0.0812 0.0149 34 ALA L CA 7669 C C . ALA F 40 ? 0.5095 0.4659 0.5614 -0.0966 0.0691 0.0095 34 ALA L C 7670 O O . ALA F 40 ? 0.4265 0.3971 0.4927 -0.0905 0.0680 0.0016 34 ALA L O 7671 C CB . ALA F 40 ? 0.4533 0.4137 0.5230 -0.1172 0.0806 0.0158 34 ALA L CB 7672 N N . TRP F 41 ? 0.4372 0.3761 0.4747 -0.0934 0.0606 0.0150 35 TRP L N 7673 C CA . TRP F 41 ? 0.4212 0.3569 0.4588 -0.0836 0.0494 0.0111 35 TRP L CA 7674 C C . TRP F 41 ? 0.4191 0.3421 0.4628 -0.0835 0.0422 0.0131 35 TRP L C 7675 O O . TRP F 41 ? 0.4823 0.3896 0.5181 -0.0876 0.0437 0.0213 35 TRP L O 7676 C CB . TRP F 41 ? 0.4277 0.3570 0.4432 -0.0791 0.0459 0.0155 35 TRP L CB 7677 C CG . TRP F 41 ? 0.5082 0.4468 0.5142 -0.0790 0.0522 0.0103 35 TRP L CG 7678 C CD1 . TRP F 41 ? 0.4801 0.4187 0.4688 -0.0851 0.0612 0.0138 35 TRP L CD1 7679 C CD2 . TRP F 41 ? 0.5327 0.4791 0.5437 -0.0727 0.0513 0.0003 35 TRP L CD2 7680 N NE1 . TRP F 41 ? 0.5108 0.4557 0.4923 -0.0833 0.0665 0.0052 35 TRP L NE1 7681 C CE2 . TRP F 41 ? 0.4330 0.3818 0.4287 -0.0754 0.0608 -0.0029 35 TRP L CE2 7682 C CE3 . TRP F 41 ? 0.3986 0.3485 0.4240 -0.0654 0.0441 -0.0061 35 TRP L CE3 7683 C CZ2 . TRP F 41 ? 0.4299 0.3819 0.4248 -0.0706 0.0641 -0.0127 35 TRP L CZ2 7684 C CZ3 . TRP F 41 ? 0.4883 0.4427 0.5136 -0.0605 0.0465 -0.0142 35 TRP L CZ3 7685 C CH2 . TRP F 41 ? 0.4104 0.3645 0.4208 -0.0629 0.0567 -0.0177 35 TRP L CH2 7686 N N . TYR F 42 ? 0.4297 0.3577 0.4859 -0.0786 0.0352 0.0058 36 TYR L N 7687 C CA . TYR F 42 ? 0.4599 0.3753 0.5203 -0.0788 0.0293 0.0052 36 TYR L CA 7688 C C . TYR F 42 ? 0.4225 0.3343 0.4791 -0.0683 0.0206 0.0033 36 TYR L C 7689 O O . TYR F 42 ? 0.5466 0.4695 0.6032 -0.0624 0.0179 -0.0004 36 TYR L O 7690 C CB . TYR F 42 ? 0.3951 0.3213 0.4739 -0.0856 0.0287 -0.0020 36 TYR L CB 7691 C CG . TYR F 42 ? 0.4201 0.3533 0.5066 -0.0977 0.0371 -0.0004 36 TYR L CG 7692 C CD1 . TYR F 42 ? 0.4022 0.3565 0.4974 -0.0987 0.0439 -0.0014 36 TYR L CD1 7693 C CD2 . TYR F 42 ? 0.4244 0.3426 0.5100 -0.1086 0.0394 0.0019 36 TYR L CD2 7694 C CE1 . TYR F 42 ? 0.4863 0.4499 0.5906 -0.1102 0.0525 0.0006 36 TYR L CE1 7695 C CE2 . TYR F 42 ? 0.5494 0.4750 0.6428 -0.1216 0.0474 0.0037 36 TYR L CE2 7696 C CZ . TYR F 42 ? 0.4703 0.4206 0.5741 -0.1223 0.0537 0.0034 36 TYR L CZ 7697 O OH . TYR F 42 ? 0.6491 0.6092 0.7623 -0.1355 0.0625 0.0057 36 TYR L OH 7698 N N . GLN F 43 ? 0.5029 0.3978 0.5559 -0.0661 0.0174 0.0058 37 GLN L N 7699 C CA . GLN F 43 ? 0.3863 0.2780 0.4377 -0.0567 0.0103 0.0042 37 GLN L CA 7700 C C . GLN F 43 ? 0.4473 0.3322 0.5059 -0.0590 0.0080 -0.0029 37 GLN L C 7701 O O . GLN F 43 ? 0.4024 0.2719 0.4599 -0.0656 0.0118 -0.0022 37 GLN L O 7702 C CB . GLN F 43 ? 0.4883 0.3668 0.5284 -0.0502 0.0097 0.0146 37 GLN L CB 7703 C CG . GLN F 43 ? 0.5561 0.4316 0.5969 -0.0406 0.0039 0.0139 37 GLN L CG 7704 C CD . GLN F 43 ? 0.6234 0.4856 0.6577 -0.0337 0.0046 0.0257 37 GLN L CD 7705 O OE1 . GLN F 43 ? 0.6217 0.4643 0.6548 -0.0345 0.0097 0.0295 37 GLN L OE1 7706 N NE2 . GLN F 43 ? 0.6236 0.4964 0.6538 -0.0272 -0.0003 0.0322 37 GLN L NE2 7707 N N . GLN F 44 ? 0.3698 0.2647 0.4338 -0.0546 0.0021 -0.0097 38 GLN L N 7708 C CA . GLN F 44 ? 0.5290 0.4190 0.5967 -0.0576 -0.0009 -0.0168 38 GLN L CA 7709 C C . GLN F 44 ? 0.4692 0.3547 0.5325 -0.0481 -0.0054 -0.0182 38 GLN L C 7710 O O . GLN F 44 ? 0.5693 0.4674 0.6341 -0.0417 -0.0095 -0.0185 38 GLN L O 7711 C CB . GLN F 44 ? 0.4084 0.3182 0.4886 -0.0638 -0.0040 -0.0234 38 GLN L CB 7712 C CG . GLN F 44 ? 0.3663 0.2726 0.4479 -0.0701 -0.0080 -0.0305 38 GLN L CG 7713 C CD . GLN F 44 ? 0.4716 0.4020 0.5672 -0.0762 -0.0126 -0.0346 38 GLN L CD 7714 O OE1 . GLN F 44 ? 0.4292 0.3616 0.5283 -0.0878 -0.0144 -0.0388 38 GLN L OE1 7715 N NE2 . GLN F 44 ? 0.3404 0.2896 0.4444 -0.0686 -0.0144 -0.0330 38 GLN L NE2 7716 N N . LYS F 45 ? 0.5268 0.3932 0.5844 -0.0476 -0.0035 -0.0193 39 LYS L N 7717 C CA . LYS F 45 ? 0.5495 0.4101 0.6033 -0.0395 -0.0056 -0.0214 39 LYS L CA 7718 C C . LYS F 45 ? 0.7048 0.5637 0.7579 -0.0459 -0.0080 -0.0316 39 LYS L C 7719 O O . LYS F 45 ? 0.5548 0.4138 0.6098 -0.0574 -0.0079 -0.0361 39 LYS L O 7720 C CB . LYS F 45 ? 0.3995 0.2386 0.4470 -0.0328 0.0004 -0.0148 39 LYS L CB 7721 C CG . LYS F 45 ? 0.4671 0.3125 0.5146 -0.0258 0.0003 -0.0030 39 LYS L CG 7722 C CD . LYS F 45 ? 0.5405 0.3703 0.5851 -0.0160 0.0047 0.0062 39 LYS L CD 7723 C CE . LYS F 45 ? 0.5504 0.3907 0.5944 -0.0111 0.0027 0.0191 39 LYS L CE 7724 N NZ . LYS F 45 ? 0.7824 0.6083 0.8257 -0.0011 0.0071 0.0314 39 LYS L NZ 7725 N N . PRO F 46 ? 0.7816 0.6408 0.8313 -0.0400 -0.0106 -0.0350 40 PRO L N 7726 C CA . PRO F 46 ? 0.6766 0.5354 0.7224 -0.0470 -0.0137 -0.0444 40 PRO L CA 7727 C C . PRO F 46 ? 0.6207 0.4564 0.6576 -0.0567 -0.0082 -0.0503 40 PRO L C 7728 O O . PRO F 46 ? 0.6817 0.4940 0.7122 -0.0526 -0.0002 -0.0481 40 PRO L O 7729 C CB . PRO F 46 ? 0.6882 0.5469 0.7293 -0.0373 -0.0147 -0.0452 40 PRO L CB 7730 C CG . PRO F 46 ? 0.6797 0.5517 0.7276 -0.0280 -0.0164 -0.0370 40 PRO L CG 7731 C CD . PRO F 46 ? 0.6837 0.5496 0.7338 -0.0283 -0.0122 -0.0302 40 PRO L CD 7732 N N . GLY F 47 ? 0.6450 0.4875 0.6818 -0.0700 -0.0126 -0.0575 41 GLY L N 7733 C CA . GLY F 47 ? 0.6119 0.4334 0.6384 -0.0833 -0.0085 -0.0652 41 GLY L CA 7734 C C . GLY F 47 ? 0.6483 0.4576 0.6773 -0.0912 -0.0024 -0.0619 41 GLY L C 7735 O O . GLY F 47 ? 0.7540 0.5411 0.7730 -0.1035 0.0024 -0.0684 41 GLY L O 7736 N N . GLN F 48 ? 0.6044 0.4257 0.6443 -0.0858 -0.0018 -0.0525 42 GLN L N 7737 C CA . GLN F 48 ? 0.7085 0.5168 0.7490 -0.0928 0.0050 -0.0480 42 GLN L CA 7738 C C . GLN F 48 ? 0.6538 0.4898 0.7087 -0.1000 0.0014 -0.0449 42 GLN L C 7739 O O . GLN F 48 ? 0.5165 0.3791 0.5815 -0.0938 -0.0047 -0.0434 42 GLN L O 7740 C CB . GLN F 48 ? 0.7853 0.5774 0.8223 -0.0792 0.0118 -0.0374 42 GLN L CB 7741 C CG . GLN F 48 ? 0.8296 0.5922 0.8550 -0.0708 0.0184 -0.0385 42 GLN L CG 7742 C CD . GLN F 48 ? 1.0189 0.7713 1.0446 -0.0562 0.0238 -0.0254 42 GLN L CD 7743 O OE1 . GLN F 48 ? 0.9492 0.7209 0.9817 -0.0506 0.0201 -0.0165 42 GLN L OE1 7744 N NE2 . GLN F 48 ? 1.2804 1.0022 1.2980 -0.0499 0.0329 -0.0238 42 GLN L NE2 7745 N N . PRO F 49 ? 0.6795 0.5093 0.7362 -0.1131 0.0063 -0.0439 43 PRO L N 7746 C CA . PRO F 49 ? 0.6029 0.4591 0.6744 -0.1185 0.0055 -0.0396 43 PRO L CA 7747 C C . PRO F 49 ? 0.6012 0.4616 0.6738 -0.1054 0.0089 -0.0297 43 PRO L C 7748 O O . PRO F 49 ? 0.7392 0.5799 0.8012 -0.0951 0.0121 -0.0246 43 PRO L O 7749 C CB . PRO F 49 ? 0.4711 0.3130 0.5408 -0.1363 0.0119 -0.0404 43 PRO L CB 7750 C CG . PRO F 49 ? 0.6155 0.4164 0.6672 -0.1340 0.0189 -0.0406 43 PRO L CG 7751 C CD . PRO F 49 ? 0.5704 0.3669 0.6151 -0.1240 0.0141 -0.0467 43 PRO L CD 7752 N N . PRO F 50 ? 0.6183 0.5047 0.7032 -0.1055 0.0086 -0.0267 44 PRO L N 7753 C CA . PRO F 50 ? 0.6051 0.4931 0.6869 -0.0965 0.0130 -0.0183 44 PRO L CA 7754 C C . PRO F 50 ? 0.6232 0.4875 0.6946 -0.1009 0.0212 -0.0108 44 PRO L C 7755 O O . PRO F 50 ? 0.6420 0.4953 0.7135 -0.1141 0.0255 -0.0119 44 PRO L O 7756 C CB . PRO F 50 ? 0.6225 0.5403 0.7193 -0.0993 0.0138 -0.0185 44 PRO L CB 7757 C CG . PRO F 50 ? 0.4429 0.3790 0.5532 -0.1050 0.0071 -0.0257 44 PRO L CG 7758 C CD . PRO F 50 ? 0.4821 0.3975 0.5840 -0.1146 0.0053 -0.0304 44 PRO L CD 7759 N N . LYS F 51 ? 0.5230 0.3794 0.5848 -0.0903 0.0230 -0.0023 45 LYS L N 7760 C CA . LYS F 51 ? 0.4751 0.3103 0.5261 -0.0917 0.0301 0.0080 45 LYS L CA 7761 C C . LYS F 51 ? 0.5069 0.3563 0.5554 -0.0912 0.0335 0.0155 45 LYS L C 7762 O O . LYS F 51 ? 0.5135 0.3782 0.5609 -0.0827 0.0296 0.0157 45 LYS L O 7763 C CB . LYS F 51 ? 0.5004 0.3142 0.5414 -0.0794 0.0290 0.0136 45 LYS L CB 7764 C CG . LYS F 51 ? 0.7293 0.5241 0.7594 -0.0761 0.0348 0.0279 45 LYS L CG 7765 C CD . LYS F 51 ? 0.8670 0.6514 0.8924 -0.0604 0.0320 0.0346 45 LYS L CD 7766 C CE . LYS F 51 ? 0.9849 0.7600 1.0011 -0.0543 0.0348 0.0519 45 LYS L CE 7767 N NZ . LYS F 51 ? 1.0998 0.8797 1.1154 -0.0384 0.0294 0.0598 45 LYS L NZ 7768 N N . LEU F 52 ? 0.4948 0.3379 0.5408 -0.1017 0.0414 0.0210 46 LEU L N 7769 C CA . LEU F 52 ? 0.4893 0.3446 0.5304 -0.1031 0.0464 0.0277 46 LEU L CA 7770 C C . LEU F 52 ? 0.5948 0.4393 0.6191 -0.0934 0.0452 0.0396 46 LEU L C 7771 O O . LEU F 52 ? 0.6965 0.5173 0.7124 -0.0914 0.0469 0.0488 46 LEU L O 7772 C CB . LEU F 52 ? 0.4949 0.3463 0.5378 -0.1181 0.0559 0.0310 46 LEU L CB 7773 C CG . LEU F 52 ? 0.6869 0.5465 0.7213 -0.1216 0.0637 0.0392 46 LEU L CG 7774 C CD1 . LEU F 52 ? 0.4830 0.3720 0.5251 -0.1183 0.0638 0.0322 46 LEU L CD1 7775 C CD2 . LEU F 52 ? 0.5532 0.4065 0.5905 -0.1377 0.0735 0.0426 46 LEU L CD2 7776 N N . LEU F 53 ? 0.6250 0.4868 0.6443 -0.0876 0.0426 0.0399 47 LEU L N 7777 C CA . LEU F 53 ? 0.5582 0.4168 0.5610 -0.0808 0.0400 0.0512 47 LEU L CA 7778 C C . LEU F 53 ? 0.6433 0.5067 0.6329 -0.0881 0.0472 0.0585 47 LEU L C 7779 O O . LEU F 53 ? 0.6440 0.4950 0.6194 -0.0882 0.0487 0.0724 47 LEU L O 7780 C CB . LEU F 53 ? 0.5059 0.3794 0.5083 -0.0717 0.0317 0.0460 47 LEU L CB 7781 C CG . LEU F 53 ? 0.5579 0.4306 0.5706 -0.0633 0.0241 0.0393 47 LEU L CG 7782 C CD1 . LEU F 53 ? 0.5017 0.3893 0.5099 -0.0571 0.0175 0.0368 47 LEU L CD1 7783 C CD2 . LEU F 53 ? 0.5012 0.3538 0.5123 -0.0573 0.0227 0.0479 47 LEU L CD2 7784 N N . ILE F 54 ? 0.4880 0.3694 0.4817 -0.0935 0.0523 0.0498 48 ILE L N 7785 C CA . ILE F 54 ? 0.5867 0.4756 0.5664 -0.0999 0.0605 0.0538 48 ILE L CA 7786 C C . ILE F 54 ? 0.6633 0.5622 0.6570 -0.1097 0.0712 0.0473 48 ILE L C 7787 O O . ILE F 54 ? 0.6286 0.5400 0.6422 -0.1087 0.0701 0.0362 48 ILE L O 7788 C CB . ILE F 54 ? 0.6430 0.5457 0.6120 -0.0952 0.0576 0.0484 48 ILE L CB 7789 C CG1 . ILE F 54 ? 0.6518 0.5502 0.6109 -0.0865 0.0456 0.0539 48 ILE L CG1 7790 C CG2 . ILE F 54 ? 0.5140 0.4224 0.4647 -0.1030 0.0677 0.0511 48 ILE L CG2 7791 C CD1 . ILE F 54 ? 0.6934 0.5795 0.6369 -0.0864 0.0431 0.0711 48 ILE L CD1 7792 N N . TYR F 55 ? 0.6650 0.5607 0.6490 -0.1193 0.0813 0.0551 49 TYR L N 7793 C CA . TYR F 55 ? 0.6326 0.5425 0.6290 -0.1293 0.0933 0.0503 49 TYR L CA 7794 C C . TYR F 55 ? 0.6436 0.5580 0.6197 -0.1344 0.1041 0.0557 49 TYR L C 7795 O O . TYR F 55 ? 0.6187 0.5218 0.5699 -0.1330 0.1013 0.0655 49 TYR L O 7796 C CB . TYR F 55 ? 0.5388 0.4389 0.5477 -0.1400 0.0970 0.0538 49 TYR L CB 7797 C CG . TYR F 55 ? 0.5688 0.4430 0.5590 -0.1451 0.0994 0.0688 49 TYR L CG 7798 C CD1 . TYR F 55 ? 0.7141 0.5871 0.6916 -0.1552 0.1111 0.0779 49 TYR L CD1 7799 C CD2 . TYR F 55 ? 0.6809 0.5312 0.6665 -0.1390 0.0912 0.0747 49 TYR L CD2 7800 C CE1 . TYR F 55 ? 0.6380 0.4859 0.5979 -0.1593 0.1135 0.0935 49 TYR L CE1 7801 C CE2 . TYR F 55 ? 0.6389 0.4638 0.6086 -0.1418 0.0943 0.0901 49 TYR L CE2 7802 C CZ . TYR F 55 ? 0.6957 0.5192 0.6524 -0.1520 0.1049 0.1000 49 TYR L CZ 7803 O OH . TYR F 55 ? 0.8556 0.6527 0.7958 -0.1543 0.1081 0.1170 49 TYR L OH 7804 N N . TRP F 56 ? 0.6997 0.6321 0.6865 -0.1406 0.1165 0.0496 50 TRP L N 7805 C CA . TRP F 56 ? 0.6712 0.6101 0.6388 -0.1450 0.1292 0.0513 50 TRP L CA 7806 C C . TRP F 56 ? 0.6612 0.5994 0.6073 -0.1366 0.1241 0.0472 50 TRP L C 7807 O O . TRP F 56 ? 0.7731 0.7054 0.6900 -0.1403 0.1273 0.0536 50 TRP L O 7808 C CB . TRP F 56 ? 0.6011 0.5258 0.5490 -0.1560 0.1358 0.0662 50 TRP L CB 7809 C CG . TRP F 56 ? 0.7402 0.6693 0.7065 -0.1682 0.1465 0.0685 50 TRP L CG 7810 C CD1 . TRP F 56 ? 0.7874 0.7397 0.7820 -0.1717 0.1547 0.0588 50 TRP L CD1 7811 C CD2 . TRP F 56 ? 0.9231 0.8337 0.8822 -0.1791 0.1499 0.0819 50 TRP L CD2 7812 N NE1 . TRP F 56 ? 0.8530 0.8047 0.8586 -0.1858 0.1625 0.0648 50 TRP L NE1 7813 C CE2 . TRP F 56 ? 0.9684 0.8923 0.9515 -0.1910 0.1602 0.0785 50 TRP L CE2 7814 C CE3 . TRP F 56 ? 1.0384 0.9226 0.9738 -0.1799 0.1455 0.0975 50 TRP L CE3 7815 C CZ2 . TRP F 56 ? 1.0324 0.9416 1.0146 -0.2053 0.1666 0.0889 50 TRP L CZ2 7816 C CZ3 . TRP F 56 ? 1.0530 0.9206 0.9875 -0.1921 0.1524 0.1086 50 TRP L CZ3 7817 C CH2 . TRP F 56 ? 1.0463 0.9251 1.0031 -0.2055 0.1631 0.1036 50 TRP L CH2 7818 N N . ALA F 57 ? 0.7158 0.6599 0.6753 -0.1265 0.1156 0.0368 51 ALA L N 7819 C CA . ALA F 57 ? 0.7258 0.6701 0.6695 -0.1194 0.1110 0.0301 51 ALA L CA 7820 C C . ALA F 57 ? 0.7222 0.6531 0.6427 -0.1175 0.0977 0.0395 51 ALA L C 7821 O O . ALA F 57 ? 0.7036 0.6343 0.6204 -0.1106 0.0879 0.0345 51 ALA L O 7822 C CB . ALA F 57 ? 0.7525 0.7036 0.6796 -0.1234 0.1263 0.0242 51 ALA L CB 7823 N N . SER F 58 ? 0.6369 0.5575 0.5430 -0.1235 0.0974 0.0540 52 SER L N 7824 C CA . SER F 58 ? 0.6443 0.5563 0.5276 -0.1214 0.0858 0.0653 52 SER L CA 7825 C C . SER F 58 ? 0.6812 0.5785 0.5632 -0.1221 0.0815 0.0826 52 SER L C 7826 O O . SER F 58 ? 0.6695 0.5615 0.5360 -0.1186 0.0713 0.0945 52 SER L O 7827 C CB . SER F 58 ? 0.6829 0.5983 0.5329 -0.1285 0.0910 0.0667 52 SER L CB 7828 O OG . SER F 58 ? 0.8082 0.7222 0.6479 -0.1384 0.1051 0.0726 52 SER L OG 7829 N N . THR F 59 ? 0.6527 0.5430 0.5505 -0.1265 0.0887 0.0849 53 THR L N 7830 C CA . THR F 59 ? 0.7141 0.5851 0.6097 -0.1268 0.0858 0.1009 53 THR L CA 7831 C C . THR F 59 ? 0.7432 0.6057 0.6587 -0.1169 0.0756 0.0982 53 THR L C 7832 O O . THR F 59 ? 0.7879 0.6556 0.7255 -0.1163 0.0761 0.0850 53 THR L O 7833 C CB . THR F 59 ? 0.7641 0.6278 0.6640 -0.1385 0.0992 0.1053 53 THR L CB 7834 O OG1 . THR F 59 ? 0.7852 0.6549 0.6625 -0.1474 0.1092 0.1107 53 THR L OG1 7835 C CG2 . THR F 59 ? 0.6494 0.4876 0.5487 -0.1381 0.0969 0.1205 53 THR L CG2 7836 N N . ARG F 60 ? 0.7332 0.5838 0.6403 -0.1091 0.0665 0.1115 54 ARG L N 7837 C CA . ARG F 60 ? 0.6566 0.4988 0.5793 -0.0982 0.0575 0.1099 54 ARG L CA 7838 C C . ARG F 60 ? 0.7689 0.5867 0.7013 -0.1003 0.0629 0.1150 54 ARG L C 7839 O O . ARG F 60 ? 0.9717 0.7731 0.8926 -0.1044 0.0684 0.1300 54 ARG L O 7840 C CB . ARG F 60 ? 0.6450 0.4889 0.5562 -0.0878 0.0461 0.1223 54 ARG L CB 7841 C CG . ARG F 60 ? 0.8674 0.7089 0.7948 -0.0754 0.0372 0.1186 54 ARG L CG 7842 C CD . ARG F 60 ? 0.9528 0.8060 0.8716 -0.0664 0.0254 0.1288 54 ARG L CD 7843 N NE . ARG F 60 ? 1.0541 0.9034 0.9546 -0.0669 0.0243 0.1500 54 ARG L NE 7844 C CZ . ARG F 60 ? 1.1293 0.9939 1.0082 -0.0733 0.0212 0.1554 54 ARG L CZ 7845 N NH1 . ARG F 60 ? 1.0041 0.8861 0.8773 -0.0794 0.0200 0.1400 54 ARG L NH1 7846 N NH2 . ARG F 60 ? 1.1380 0.9990 0.9997 -0.0737 0.0195 0.1766 54 ARG L NH2 7847 N N . GLU F 61 ? 0.7050 0.5194 0.6570 -0.0984 0.0616 0.1025 55 GLU L N 7848 C CA . GLU F 61 ? 0.7601 0.5488 0.7203 -0.1008 0.0658 0.1041 55 GLU L CA 7849 C C . GLU F 61 ? 0.9342 0.7000 0.8860 -0.0895 0.0629 0.1207 55 GLU L C 7850 O O . GLU F 61 ? 1.0230 0.7980 0.9692 -0.0780 0.0544 0.1282 55 GLU L O 7851 C CB . GLU F 61 ? 0.6652 0.4578 0.6446 -0.0999 0.0624 0.0867 55 GLU L CB 7852 C CG . GLU F 61 ? 0.8737 0.6402 0.8602 -0.1055 0.0671 0.0838 55 GLU L CG 7853 C CD . GLU F 61 ? 1.0568 0.8242 1.0488 -0.1236 0.0761 0.0790 55 GLU L CD 7854 O OE1 . GLU F 61 ? 1.1656 0.9566 1.1590 -0.1300 0.0792 0.0770 55 GLU L OE1 7855 O OE2 . GLU F 61 ? 1.1184 0.8631 1.1135 -0.1320 0.0808 0.0767 55 GLU L OE2 7856 N N . SER F 62 ? 0.9276 0.6633 0.8793 -0.0931 0.0703 0.1269 56 SER L N 7857 C CA . SER F 62 ? 0.9109 0.6209 0.8571 -0.0808 0.0699 0.1433 56 SER L CA 7858 C C . SER F 62 ? 0.9128 0.6208 0.8709 -0.0665 0.0632 0.1364 56 SER L C 7859 O O . SER F 62 ? 0.7706 0.4816 0.7405 -0.0698 0.0626 0.1184 56 SER L O 7860 C CB . SER F 62 ? 1.0380 0.7116 0.9804 -0.0892 0.0817 0.1500 56 SER L CB 7861 O OG . SER F 62 ? 1.1562 0.8315 1.0868 -0.1025 0.0886 0.1585 56 SER L OG 7862 N N . GLY F 63 ? 0.8933 0.5981 0.8487 -0.0504 0.0583 0.1517 57 GLY L N 7863 C CA . GLY F 63 ? 0.9101 0.6162 0.8771 -0.0356 0.0528 0.1473 57 GLY L CA 7864 C C . GLY F 63 ? 0.9498 0.6915 0.9225 -0.0321 0.0416 0.1374 57 GLY L C 7865 O O . GLY F 63 ? 1.0583 0.8045 1.0405 -0.0198 0.0367 0.1353 57 GLY L O 7866 N N . VAL F 64 ? 0.8434 0.6090 0.8102 -0.0426 0.0387 0.1314 58 VAL L N 7867 C CA . VAL F 64 ? 0.7210 0.5166 0.6915 -0.0413 0.0297 0.1204 58 VAL L CA 7868 C C . VAL F 64 ? 0.6625 0.4764 0.6239 -0.0340 0.0207 0.1349 58 VAL L C 7869 O O . VAL F 64 ? 0.6838 0.5011 0.6297 -0.0393 0.0212 0.1470 58 VAL L O 7870 C CB . VAL F 64 ? 0.7098 0.5202 0.6784 -0.0553 0.0327 0.1065 58 VAL L CB 7871 C CG1 . VAL F 64 ? 0.6245 0.4615 0.5945 -0.0534 0.0247 0.0964 58 VAL L CG1 7872 C CG2 . VAL F 64 ? 0.6857 0.4842 0.6660 -0.0632 0.0394 0.0927 58 VAL L CG2 7873 N N . PRO F 65 ? 0.6451 0.4729 0.6148 -0.0235 0.0121 0.1341 59 PRO L N 7874 C CA . PRO F 65 ? 0.6917 0.5395 0.6544 -0.0176 0.0022 0.1492 59 PRO L CA 7875 C C . PRO F 65 ? 0.7041 0.5711 0.6484 -0.0297 -0.0012 0.1484 59 PRO L C 7876 O O . PRO F 65 ? 0.7254 0.5974 0.6667 -0.0398 0.0023 0.1319 59 PRO L O 7877 C CB . PRO F 65 ? 0.7198 0.5829 0.6969 -0.0088 -0.0052 0.1416 59 PRO L CB 7878 C CG . PRO F 65 ? 0.7487 0.5917 0.7396 -0.0052 0.0020 0.1291 59 PRO L CG 7879 C CD . PRO F 65 ? 0.7049 0.5324 0.6904 -0.0179 0.0109 0.1195 59 PRO L CD 7880 N N . ASP F 66 ? 0.6660 0.5443 0.5975 -0.0281 -0.0081 0.1670 60 ASP L N 7881 C CA . ASP F 66 ? 0.8008 0.6958 0.7097 -0.0404 -0.0113 0.1680 60 ASP L CA 7882 C C . ASP F 66 ? 0.7051 0.6210 0.6117 -0.0463 -0.0172 0.1510 60 ASP L C 7883 O O . ASP F 66 ? 0.7116 0.6359 0.5988 -0.0583 -0.0161 0.1450 60 ASP L O 7884 C CB . ASP F 66 ? 1.1250 1.0307 1.0209 -0.0371 -0.0201 0.1929 60 ASP L CB 7885 C CG . ASP F 66 ? 1.5001 1.3828 1.3959 -0.0307 -0.0138 0.2125 60 ASP L CG 7886 O OD1 . ASP F 66 ? 1.6105 1.4707 1.5045 -0.0368 -0.0015 0.2065 60 ASP L OD1 7887 O OD2 . ASP F 66 ? 1.6337 1.5212 1.5321 -0.0196 -0.0208 0.2345 60 ASP L OD2 7888 N N . ARG F 67 ? 0.5376 0.4606 0.4621 -0.0383 -0.0225 0.1433 61 ARG L N 7889 C CA . ARG F 67 ? 0.5996 0.5402 0.5211 -0.0442 -0.0280 0.1286 61 ARG L CA 7890 C C . ARG F 67 ? 0.7070 0.6403 0.6287 -0.0518 -0.0189 0.1072 61 ARG L C 7891 O O . ARG F 67 ? 0.6839 0.6278 0.5996 -0.0577 -0.0210 0.0947 61 ARG L O 7892 C CB . ARG F 67 ? 0.6035 0.5543 0.5442 -0.0338 -0.0358 0.1280 61 ARG L CB 7893 C CG . ARG F 67 ? 0.6632 0.5970 0.6254 -0.0241 -0.0292 0.1207 61 ARG L CG 7894 C CD . ARG F 67 ? 0.6757 0.6209 0.6549 -0.0137 -0.0360 0.1218 61 ARG L CD 7895 N NE . ARG F 67 ? 0.6651 0.5939 0.6611 -0.0063 -0.0292 0.1121 61 ARG L NE 7896 C CZ . ARG F 67 ? 0.7619 0.6732 0.7679 0.0042 -0.0238 0.1203 61 ARG L CZ 7897 N NH1 . ARG F 67 ? 0.7501 0.6581 0.7532 0.0102 -0.0243 0.1401 61 ARG L NH1 7898 N NH2 . ARG F 67 ? 0.5751 0.4711 0.5925 0.0084 -0.0176 0.1089 61 ARG L NH2 7899 N N . PHE F 68 ? 0.6165 0.5325 0.5455 -0.0520 -0.0086 0.1034 62 PHE L N 7900 C CA . PHE F 68 ? 0.5937 0.5065 0.5247 -0.0592 0.0004 0.0862 62 PHE L CA 7901 C C . PHE F 68 ? 0.6436 0.5560 0.5547 -0.0700 0.0080 0.0886 62 PHE L C 7902 O O . PHE F 68 ? 0.7753 0.6777 0.6803 -0.0718 0.0122 0.1013 62 PHE L O 7903 C CB . PHE F 68 ? 0.5033 0.4011 0.4536 -0.0557 0.0068 0.0806 62 PHE L CB 7904 C CG . PHE F 68 ? 0.5238 0.4209 0.4917 -0.0464 0.0015 0.0750 62 PHE L CG 7905 C CD1 . PHE F 68 ? 0.5471 0.4346 0.5225 -0.0369 -0.0011 0.0858 62 PHE L CD1 7906 C CD2 . PHE F 68 ? 0.4850 0.3901 0.4616 -0.0466 0.0004 0.0594 62 PHE L CD2 7907 C CE1 . PHE F 68 ? 0.5486 0.4351 0.5385 -0.0285 -0.0044 0.0800 62 PHE L CE1 7908 C CE2 . PHE F 68 ? 0.5093 0.4137 0.4999 -0.0388 -0.0040 0.0546 62 PHE L CE2 7909 C CZ . PHE F 68 ? 0.5334 0.4288 0.5302 -0.0302 -0.0061 0.0644 62 PHE L CZ 7910 N N . SER F 69 ? 0.5760 0.4972 0.4760 -0.0773 0.0110 0.0765 63 SER L N 7911 C CA . SER F 69 ? 0.7081 0.6288 0.5896 -0.0877 0.0211 0.0754 63 SER L CA 7912 C C . SER F 69 ? 0.7220 0.6454 0.6100 -0.0907 0.0308 0.0565 63 SER L C 7913 O O . SER F 69 ? 0.7018 0.6296 0.5991 -0.0866 0.0273 0.0450 63 SER L O 7914 C CB . SER F 69 ? 0.8314 0.7606 0.6833 -0.0949 0.0158 0.0830 63 SER L CB 7915 O OG . SER F 69 ? 0.9751 0.9147 0.8241 -0.0944 0.0068 0.0754 63 SER L OG 7916 N N . GLY F 70 ? 0.6784 0.5995 0.5628 -0.0973 0.0438 0.0545 64 GLY L N 7917 C CA . GLY F 70 ? 0.5518 0.4776 0.4411 -0.0996 0.0551 0.0388 64 GLY L CA 7918 C C . GLY F 70 ? 0.6592 0.5863 0.5219 -0.1094 0.0660 0.0378 64 GLY L C 7919 O O . GLY F 70 ? 0.7012 0.6252 0.5446 -0.1157 0.0665 0.0506 64 GLY L O 7920 N N . SER F 71 ? 0.6743 0.6047 0.5348 -0.1104 0.0757 0.0229 65 SER L N 7921 C CA . SER F 71 ? 0.7974 0.7274 0.6317 -0.1195 0.0890 0.0189 65 SER L CA 7922 C C . SER F 71 ? 0.8586 0.7914 0.7053 -0.1162 0.1037 0.0024 65 SER L C 7923 O O . SER F 71 ? 0.7644 0.7001 0.6378 -0.1071 0.1012 -0.0048 65 SER L O 7924 C CB . SER F 71 ? 0.7858 0.7137 0.5851 -0.1265 0.0814 0.0204 65 SER L CB 7925 O OG . SER F 71 ? 1.0188 0.9464 0.8215 -0.1221 0.0738 0.0098 65 SER L OG 7926 N N . GLY F 72 ? 0.9750 0.9067 0.8014 -0.1233 0.1197 -0.0028 66 GLY L N 7927 C CA . GLY F 72 ? 0.9467 0.8807 0.7834 -0.1193 0.1371 -0.0174 66 GLY L CA 7928 C C . GLY F 72 ? 0.9536 0.8959 0.8005 -0.1225 0.1546 -0.0148 66 GLY L C 7929 O O . GLY F 72 ? 0.9001 0.8450 0.7485 -0.1282 0.1527 -0.0020 66 GLY L O 7930 N N . SER F 73 ? 0.9786 0.9245 0.8332 -0.1186 0.1728 -0.0270 67 SER L N 7931 C CA . SER F 73 ? 0.9866 0.9445 0.8558 -0.1205 0.1917 -0.0261 67 SER L CA 7932 C C . SER F 73 ? 1.0184 0.9839 0.9122 -0.1092 0.2066 -0.0390 67 SER L C 7933 O O . SER F 73 ? 0.9419 0.8980 0.8317 -0.1019 0.2050 -0.0494 67 SER L O 7934 C CB . SER F 73 ? 1.0481 1.0005 0.8798 -0.1332 0.2051 -0.0235 67 SER L CB 7935 O OG . SER F 73 ? 1.1813 1.1239 0.9868 -0.1337 0.2189 -0.0376 67 SER L OG 7936 N N . GLY F 74 ? 1.1193 1.1026 1.0398 -0.1080 0.2215 -0.0373 68 GLY L N 7937 C CA . GLY F 74 ? 1.1416 1.1367 1.0903 -0.0959 0.2371 -0.0468 68 GLY L CA 7938 C C . GLY F 74 ? 1.1412 1.1430 1.1237 -0.0828 0.2235 -0.0485 68 GLY L C 7939 O O . GLY F 74 ? 1.0827 1.1026 1.0990 -0.0813 0.2151 -0.0411 68 GLY L O 7940 N N . THR F 75 ? 1.1304 1.1167 1.1021 -0.0747 0.2213 -0.0582 69 THR L N 7941 C CA . THR F 75 ? 1.0412 1.0319 1.0422 -0.0615 0.2106 -0.0600 69 THR L CA 7942 C C . THR F 75 ? 0.9808 0.9528 0.9632 -0.0621 0.1905 -0.0612 69 THR L C 7943 O O . THR F 75 ? 0.9039 0.8786 0.9081 -0.0523 0.1799 -0.0616 69 THR L O 7944 C CB . THR F 75 ? 1.0717 1.0634 1.0872 -0.0475 0.2297 -0.0698 69 THR L CB 7945 O OG1 . THR F 75 ? 1.1495 1.1144 1.1255 -0.0499 0.2405 -0.0813 69 THR L OG1 7946 C CG2 . THR F 75 ? 1.0531 1.0693 1.0948 -0.0450 0.2499 -0.0673 69 THR L CG2 7947 N N . ASP F 76 ? 0.9605 0.9161 0.9043 -0.0734 0.1845 -0.0608 70 ASP L N 7948 C CA . ASP F 76 ? 0.9000 0.8414 0.8267 -0.0750 0.1656 -0.0609 70 ASP L CA 7949 C C . ASP F 76 ? 0.8200 0.7639 0.7389 -0.0840 0.1488 -0.0483 70 ASP L C 7950 O O . ASP F 76 ? 1.1510 1.0941 1.0488 -0.0943 0.1531 -0.0427 70 ASP L O 7951 C CB . ASP F 76 ? 1.1322 1.0526 1.0196 -0.0806 0.1720 -0.0716 70 ASP L CB 7952 C CG . ASP F 76 ? 1.3084 1.2164 1.2001 -0.0717 0.1699 -0.0812 70 ASP L CG 7953 O OD1 . ASP F 76 ? 1.3716 1.2842 1.2839 -0.0657 0.1536 -0.0766 70 ASP L OD1 7954 O OD2 . ASP F 76 ? 1.3205 1.2124 1.1938 -0.0711 0.1856 -0.0934 70 ASP L OD2 7955 N N . PHE F 77 ? 0.6310 0.5769 0.5658 -0.0797 0.1306 -0.0433 71 PHE L N 7956 C CA . PHE F 77 ? 0.5902 0.5372 0.5227 -0.0852 0.1157 -0.0311 71 PHE L CA 7957 C C . PHE F 77 ? 0.6848 0.6253 0.6145 -0.0820 0.0976 -0.0299 71 PHE L C 7958 O O . PHE F 77 ? 0.6820 0.6219 0.6257 -0.0739 0.0942 -0.0366 71 PHE L O 7959 C CB . PHE F 77 ? 0.5411 0.5013 0.5050 -0.0835 0.1149 -0.0242 71 PHE L CB 7960 C CG . PHE F 77 ? 0.6045 0.5745 0.5743 -0.0881 0.1321 -0.0233 71 PHE L CG 7961 C CD1 . PHE F 77 ? 0.6788 0.6620 0.6729 -0.0814 0.1450 -0.0302 71 PHE L CD1 7962 C CD2 . PHE F 77 ? 0.6534 0.6205 0.6052 -0.0988 0.1357 -0.0145 71 PHE L CD2 7963 C CE1 . PHE F 77 ? 0.8164 0.8119 0.8183 -0.0858 0.1620 -0.0289 71 PHE L CE1 7964 C CE2 . PHE F 77 ? 0.7862 0.7631 0.7433 -0.1042 0.1526 -0.0133 71 PHE L CE2 7965 C CZ . PHE F 77 ? 0.8063 0.7985 0.7892 -0.0979 0.1660 -0.0209 71 PHE L CZ 7966 N N . THR F 78 ? 0.6483 0.5851 0.5612 -0.0880 0.0862 -0.0201 72 THR L N 7967 C CA . THR F 78 ? 0.5572 0.4902 0.4648 -0.0861 0.0699 -0.0178 72 THR L CA 7968 C C . THR F 78 ? 0.5641 0.4988 0.4791 -0.0857 0.0580 -0.0041 72 THR L C 7969 O O . THR F 78 ? 0.6360 0.5700 0.5414 -0.0913 0.0604 0.0056 72 THR L O 7970 C CB . THR F 78 ? 0.6921 0.6187 0.5652 -0.0944 0.0684 -0.0205 72 THR L CB 7971 O OG1 . THR F 78 ? 0.7703 0.6901 0.6372 -0.0936 0.0791 -0.0352 72 THR L OG1 7972 C CG2 . THR F 78 ? 0.7806 0.7082 0.6491 -0.0944 0.0506 -0.0146 72 THR L CG2 7973 N N . LEU F 79 ? 0.5329 0.4681 0.4641 -0.0787 0.0465 -0.0032 73 LEU L N 7974 C CA . LEU F 79 ? 0.5262 0.4601 0.4622 -0.0766 0.0354 0.0087 73 LEU L CA 7975 C C . LEU F 79 ? 0.5103 0.4452 0.4340 -0.0760 0.0233 0.0116 73 LEU L C 7976 O O . LEU F 79 ? 0.5916 0.5275 0.5181 -0.0734 0.0202 0.0029 73 LEU L O 7977 C CB . LEU F 79 ? 0.4532 0.3874 0.4169 -0.0697 0.0325 0.0074 73 LEU L CB 7978 C CG . LEU F 79 ? 0.6191 0.5480 0.5874 -0.0663 0.0231 0.0181 73 LEU L CG 7979 C CD1 . LEU F 79 ? 0.5685 0.4911 0.5309 -0.0712 0.0276 0.0292 73 LEU L CD1 7980 C CD2 . LEU F 79 ? 0.5927 0.5207 0.5834 -0.0600 0.0192 0.0136 73 LEU L CD2 7981 N N . THR F 80 ? 0.6219 0.5576 0.5327 -0.0786 0.0166 0.0248 74 THR L N 7982 C CA . THR F 80 ? 0.5587 0.5006 0.4588 -0.0792 0.0045 0.0298 74 THR L CA 7983 C C . THR F 80 ? 0.5818 0.5251 0.4942 -0.0717 -0.0048 0.0440 74 THR L C 7984 O O . THR F 80 ? 0.6583 0.5966 0.5703 -0.0710 -0.0027 0.0555 74 THR L O 7985 C CB . THR F 80 ? 0.7022 0.6479 0.5715 -0.0902 0.0041 0.0337 74 THR L CB 7986 O OG1 . THR F 80 ? 0.8228 0.7648 0.6785 -0.0968 0.0130 0.0183 74 THR L OG1 7987 C CG2 . THR F 80 ? 0.7919 0.7488 0.6529 -0.0917 -0.0106 0.0433 74 THR L CG2 7988 N N . ILE F 81 ? 0.5449 0.4937 0.4682 -0.0660 -0.0137 0.0434 75 ILE L N 7989 C CA . ILE F 81 ? 0.5735 0.5264 0.5066 -0.0582 -0.0225 0.0574 75 ILE L CA 7990 C C . ILE F 81 ? 0.6883 0.6570 0.6077 -0.0628 -0.0332 0.0644 75 ILE L C 7991 O O . ILE F 81 ? 0.7905 0.7663 0.7087 -0.0660 -0.0374 0.0556 75 ILE L O 7992 C CB . ILE F 81 ? 0.5780 0.5277 0.5343 -0.0485 -0.0240 0.0521 75 ILE L CB 7993 C CG1 . ILE F 81 ? 0.6524 0.5907 0.6198 -0.0477 -0.0148 0.0411 75 ILE L CG1 7994 C CG2 . ILE F 81 ? 0.5566 0.5052 0.5241 -0.0388 -0.0282 0.0665 75 ILE L CG2 7995 C CD1 . ILE F 81 ? 0.7130 0.6482 0.6996 -0.0399 -0.0165 0.0352 75 ILE L CD1 7996 N N . SER F 82 ? 0.6704 0.6452 0.5791 -0.0641 -0.0379 0.0811 76 SER L N 7997 C CA . SER F 82 ? 0.6665 0.6599 0.5587 -0.0717 -0.0488 0.0883 76 SER L CA 7998 C C . SER F 82 ? 0.7318 0.7409 0.6411 -0.0650 -0.0597 0.0937 76 SER L C 7999 O O . SER F 82 ? 0.9434 0.9680 0.8439 -0.0736 -0.0678 0.0910 76 SER L O 8000 C CB . SER F 82 ? 0.6944 0.6922 0.5708 -0.0745 -0.0519 0.1070 76 SER L CB 8001 O OG . SER F 82 ? 0.8494 0.8440 0.7439 -0.0610 -0.0533 0.1235 76 SER L OG 8002 N N . SER F 83 ? 0.6110 0.6162 0.5442 -0.0508 -0.0590 0.1006 77 SER L N 8003 C CA . SER F 83 ? 0.6358 0.6568 0.5876 -0.0426 -0.0673 0.1070 77 SER L CA 8004 C C . SER F 83 ? 0.5987 0.6046 0.5728 -0.0308 -0.0599 0.0993 77 SER L C 8005 O O . SER F 83 ? 0.7150 0.7067 0.6981 -0.0213 -0.0542 0.1061 77 SER L O 8006 C CB . SER F 83 ? 0.6720 0.7089 0.6276 -0.0360 -0.0756 0.1309 77 SER L CB 8007 O OG . SER F 83 ? 0.7817 0.8367 0.7583 -0.0271 -0.0824 0.1379 77 SER L OG 8008 N N . LEU F 84 ? 0.5581 0.5655 0.5387 -0.0324 -0.0598 0.0851 78 LEU L N 8009 C CA . LEU F 84 ? 0.5404 0.5330 0.5374 -0.0239 -0.0528 0.0755 78 LEU L CA 8010 C C . LEU F 84 ? 0.5257 0.5225 0.5422 -0.0103 -0.0542 0.0860 78 LEU L C 8011 O O . LEU F 84 ? 0.4350 0.4519 0.4591 -0.0082 -0.0613 0.0926 78 LEU L O 8012 C CB . LEU F 84 ? 0.5359 0.5289 0.5328 -0.0295 -0.0524 0.0590 78 LEU L CB 8013 C CG . LEU F 84 ? 0.5641 0.5425 0.5744 -0.0227 -0.0458 0.0486 78 LEU L CG 8014 C CD1 . LEU F 84 ? 0.5005 0.4635 0.5050 -0.0269 -0.0380 0.0389 78 LEU L CD1 8015 C CD2 . LEU F 84 ? 0.6745 0.6592 0.6906 -0.0234 -0.0484 0.0400 78 LEU L CD2 8016 N N . GLN F 85 ? 0.4953 0.4729 0.5201 -0.0016 -0.0464 0.0870 79 GLN L N 8017 C CA . GLN F 85 ? 0.4549 0.4304 0.4971 0.0122 -0.0441 0.0940 79 GLN L CA 8018 C C . GLN F 85 ? 0.4905 0.4529 0.5403 0.0144 -0.0381 0.0784 79 GLN L C 8019 O O . GLN F 85 ? 0.5473 0.4988 0.5904 0.0069 -0.0349 0.0649 79 GLN L O 8020 C CB . GLN F 85 ? 0.4104 0.3704 0.4542 0.0207 -0.0388 0.1076 79 GLN L CB 8021 C CG . GLN F 85 ? 0.6749 0.6507 0.7119 0.0201 -0.0460 0.1263 79 GLN L CG 8022 C CD . GLN F 85 ? 0.9214 0.8810 0.9615 0.0307 -0.0406 0.1426 79 GLN L CD 8023 O OE1 . GLN F 85 ? 0.9992 0.9378 1.0499 0.0409 -0.0315 0.1411 79 GLN L OE1 8024 N NE2 . GLN F 85 ? 1.0498 1.0172 1.0789 0.0278 -0.0455 0.1582 79 GLN L NE2 8025 N N . ALA F 86 ? 0.4793 0.4449 0.5434 0.0248 -0.0365 0.0809 80 ALA L N 8026 C CA . ALA F 86 ? 0.5366 0.4909 0.6054 0.0262 -0.0312 0.0667 80 ALA L CA 8027 C C . ALA F 86 ? 0.6174 0.5452 0.6806 0.0238 -0.0235 0.0578 80 ALA L C 8028 O O . ALA F 86 ? 0.6985 0.6202 0.7592 0.0181 -0.0221 0.0439 80 ALA L O 8029 C CB . ALA F 86 ? 0.4247 0.3831 0.5083 0.0389 -0.0279 0.0720 80 ALA L CB 8030 N N . GLU F 87 ? 0.5898 0.5027 0.6511 0.0272 -0.0189 0.0665 81 GLU L N 8031 C CA A GLU F 87 ? 0.6304 0.5180 0.6864 0.0230 -0.0113 0.0591 81 GLU L CA 8032 C CA B GLU F 87 ? 0.6332 0.5208 0.6892 0.0231 -0.0113 0.0593 81 GLU L CA 8033 C C . GLU F 87 ? 0.6668 0.5560 0.7135 0.0100 -0.0130 0.0515 81 GLU L C 8034 O O . GLU F 87 ? 0.5060 0.3788 0.5501 0.0044 -0.0076 0.0448 81 GLU L O 8035 C CB A GLU F 87 ? 0.6310 0.4999 0.6870 0.0301 -0.0049 0.0720 81 GLU L CB 8036 C CB B GLU F 87 ? 0.6266 0.4960 0.6825 0.0301 -0.0051 0.0725 81 GLU L CB 8037 C CG A GLU F 87 ? 0.6254 0.4939 0.6927 0.0459 -0.0019 0.0832 81 GLU L CG 8038 C CG B GLU F 87 ? 0.6899 0.5680 0.7391 0.0279 -0.0093 0.0871 81 GLU L CG 8039 C CD A GLU F 87 ? 0.6054 0.5028 0.6785 0.0512 -0.0108 0.0989 81 GLU L CD 8040 C CD B GLU F 87 ? 0.9522 0.8113 1.0022 0.0368 -0.0030 0.1029 81 GLU L CD 8041 O OE1 A GLU F 87 ? 0.5763 0.4837 0.6407 0.0443 -0.0168 0.1063 81 GLU L OE1 8042 O OE1 B GLU F 87 ? 1.0890 0.9295 1.1465 0.0469 0.0049 0.1031 81 GLU L OE1 8043 O OE2 A GLU F 87 ? 0.5843 0.4960 0.6702 0.0612 -0.0117 0.1036 81 GLU L OE2 8044 O OE2 B GLU F 87 ? 0.9444 0.8057 0.9863 0.0339 -0.0051 0.1152 81 GLU L OE2 8045 N N . ASP F 88 ? 0.3806 0.2890 0.4223 0.0045 -0.0196 0.0521 82 ASP L N 8046 C CA . ASP F 88 ? 0.4710 0.3808 0.5044 -0.0064 -0.0191 0.0446 82 ASP L CA 8047 C C . ASP F 88 ? 0.4832 0.3981 0.5196 -0.0103 -0.0202 0.0300 82 ASP L C 8048 O O . ASP F 88 ? 0.5333 0.4507 0.5656 -0.0176 -0.0189 0.0233 82 ASP L O 8049 C CB . ASP F 88 ? 0.4466 0.3706 0.4691 -0.0113 -0.0237 0.0519 82 ASP L CB 8050 C CG . ASP F 88 ? 0.6783 0.5996 0.6963 -0.0080 -0.0237 0.0686 82 ASP L CG 8051 O OD1 . ASP F 88 ? 0.7879 0.6910 0.8074 -0.0057 -0.0173 0.0726 82 ASP L OD1 8052 O OD2 . ASP F 88 ? 0.8395 0.7770 0.8517 -0.0085 -0.0305 0.0782 82 ASP L OD2 8053 N N . VAL F 89 ? 0.4156 0.3324 0.4592 -0.0050 -0.0220 0.0259 83 VAL L N 8054 C CA . VAL F 89 ? 0.4401 0.3604 0.4864 -0.0077 -0.0232 0.0139 83 VAL L CA 8055 C C . VAL F 89 ? 0.5067 0.4152 0.5553 -0.0116 -0.0188 0.0062 83 VAL L C 8056 O O . VAL F 89 ? 0.4832 0.3788 0.5341 -0.0092 -0.0155 0.0055 83 VAL L O 8057 C CB . VAL F 89 ? 0.3857 0.3106 0.4376 -0.0015 -0.0256 0.0130 83 VAL L CB 8058 C CG1 . VAL F 89 ? 0.5377 0.4627 0.5913 -0.0039 -0.0263 0.0019 83 VAL L CG1 8059 C CG2 . VAL F 89 ? 0.5206 0.4620 0.5713 -0.0010 -0.0311 0.0195 83 VAL L CG2 8060 N N . ALA F 90 ? 0.3656 0.2790 0.4138 -0.0180 -0.0183 0.0005 84 ALA L N 8061 C CA . ALA F 90 ? 0.3499 0.2581 0.4025 -0.0232 -0.0152 -0.0057 84 ALA L CA 8062 C C . ALA F 90 ? 0.4718 0.3918 0.5274 -0.0271 -0.0152 -0.0111 84 ALA L C 8063 O O . ALA F 90 ? 0.4936 0.4211 0.5456 -0.0255 -0.0168 -0.0114 84 ALA L O 8064 C CB . ALA F 90 ? 0.3746 0.2710 0.4249 -0.0271 -0.0099 -0.0007 84 ALA L CB 8065 N N . VAL F 91 ? 0.3892 0.3108 0.4517 -0.0323 -0.0130 -0.0154 85 VAL L N 8066 C CA . VAL F 91 ? 0.3221 0.2557 0.3906 -0.0349 -0.0107 -0.0187 85 VAL L CA 8067 C C . VAL F 91 ? 0.4122 0.3448 0.4790 -0.0408 -0.0041 -0.0152 85 VAL L C 8068 O O . VAL F 91 ? 0.4402 0.3636 0.5065 -0.0454 -0.0019 -0.0125 85 VAL L O 8069 C CB . VAL F 91 ? 0.4642 0.4064 0.5447 -0.0365 -0.0133 -0.0243 85 VAL L CB 8070 C CG1 . VAL F 91 ? 0.3110 0.2679 0.4012 -0.0365 -0.0101 -0.0262 85 VAL L CG1 8071 C CG2 . VAL F 91 ? 0.3665 0.3080 0.4457 -0.0312 -0.0196 -0.0268 85 VAL L CG2 8072 N N . TYR F 92 ? 0.4895 0.4290 0.5532 -0.0412 0.0002 -0.0152 86 TYR L N 8073 C CA . TYR F 92 ? 0.4070 0.3466 0.4665 -0.0469 0.0077 -0.0117 86 TYR L CA 8074 C C . TYR F 92 ? 0.5046 0.4579 0.5763 -0.0490 0.0138 -0.0163 86 TYR L C 8075 O O . TYR F 92 ? 0.4325 0.3929 0.5078 -0.0440 0.0143 -0.0208 86 TYR L O 8076 C CB . TYR F 92 ? 0.3687 0.3047 0.4110 -0.0464 0.0088 -0.0073 86 TYR L CB 8077 C CG . TYR F 92 ? 0.4772 0.4039 0.5107 -0.0438 0.0031 0.0003 86 TYR L CG 8078 C CD1 . TYR F 92 ? 0.4579 0.3848 0.4916 -0.0379 -0.0040 -0.0006 86 TYR L CD1 8079 C CD2 . TYR F 92 ? 0.4466 0.3649 0.4728 -0.0467 0.0055 0.0093 86 TYR L CD2 8080 C CE1 . TYR F 92 ? 0.4707 0.3922 0.4999 -0.0341 -0.0083 0.0073 86 TYR L CE1 8081 C CE2 . TYR F 92 ? 0.4293 0.3403 0.4500 -0.0422 0.0009 0.0180 86 TYR L CE2 8082 C CZ . TYR F 92 ? 0.4417 0.3556 0.4651 -0.0355 -0.0059 0.0169 86 TYR L CZ 8083 O OH . TYR F 92 ? 0.5637 0.4733 0.5851 -0.0296 -0.0096 0.0265 86 TYR L OH 8084 N N . TYR F 93 ? 0.4137 0.3703 0.4925 -0.0561 0.0192 -0.0146 87 TYR L N 8085 C CA . TYR F 93 ? 0.4732 0.4465 0.5669 -0.0585 0.0262 -0.0174 87 TYR L CA 8086 C C . TYR F 93 ? 0.4414 0.4143 0.5273 -0.0643 0.0368 -0.0138 87 TYR L C 8087 O O . TYR F 93 ? 0.5421 0.5030 0.6166 -0.0701 0.0378 -0.0079 87 TYR L O 8088 C CB . TYR F 93 ? 0.3455 0.3284 0.4575 -0.0643 0.0232 -0.0185 87 TYR L CB 8089 C CG . TYR F 93 ? 0.3685 0.3541 0.4874 -0.0598 0.0130 -0.0222 87 TYR L CG 8090 C CD1 . TYR F 93 ? 0.3226 0.3254 0.4562 -0.0538 0.0111 -0.0248 87 TYR L CD1 8091 C CD2 . TYR F 93 ? 0.4329 0.4033 0.5431 -0.0612 0.0061 -0.0223 87 TYR L CD2 8092 C CE1 . TYR F 93 ? 0.3656 0.3711 0.5035 -0.0503 0.0016 -0.0269 87 TYR L CE1 8093 C CE2 . TYR F 93 ? 0.3266 0.2992 0.4406 -0.0581 -0.0023 -0.0259 87 TYR L CE2 8094 C CZ . TYR F 93 ? 0.4471 0.4377 0.5742 -0.0532 -0.0052 -0.0278 87 TYR L CZ 8095 O OH . TYR F 93 ? 0.4849 0.4780 0.6139 -0.0505 -0.0138 -0.0302 87 TYR L OH 8096 N N . CYS F 94 ? 0.4577 0.4426 0.5489 -0.0624 0.0458 -0.0168 88 CYS L N 8097 C CA . CYS F 94 ? 0.4404 0.4297 0.5288 -0.0691 0.0580 -0.0143 88 CYS L CA 8098 C C . CYS F 94 ? 0.4239 0.4331 0.5384 -0.0737 0.0625 -0.0146 88 CYS L C 8099 O O . CYS F 94 ? 0.4507 0.4736 0.5852 -0.0695 0.0572 -0.0175 88 CYS L O 8100 C CB . CYS F 94 ? 0.4886 0.4778 0.5645 -0.0650 0.0678 -0.0179 88 CYS L CB 8101 S SG . CYS F 94 ? 0.6662 0.6689 0.7606 -0.0535 0.0725 -0.0259 88 CYS L SG 8102 N N . GLN F 95 ? 0.4200 0.4325 0.5345 -0.0831 0.0719 -0.0106 89 GLN L N 8103 C CA . GLN F 95 ? 0.4022 0.4368 0.5423 -0.0899 0.0771 -0.0100 89 GLN L CA 8104 C C . GLN F 95 ? 0.4644 0.5061 0.6020 -0.0954 0.0933 -0.0075 89 GLN L C 8105 O O . GLN F 95 ? 0.5352 0.5601 0.6493 -0.1007 0.0977 -0.0033 89 GLN L O 8106 C CB . GLN F 95 ? 0.4452 0.4746 0.5904 -0.1011 0.0692 -0.0072 89 GLN L CB 8107 C CG . GLN F 95 ? 0.5476 0.5992 0.7164 -0.1128 0.0745 -0.0057 89 GLN L CG 8108 C CD . GLN F 95 ? 0.6558 0.6934 0.8136 -0.1273 0.0806 0.0000 89 GLN L CD 8109 O OE1 . GLN F 95 ? 0.6717 0.6828 0.8116 -0.1308 0.0750 0.0025 89 GLN L OE1 8110 N NE2 . GLN F 95 ? 0.6596 0.7141 0.8281 -0.1354 0.0933 0.0029 89 GLN L NE2 8111 N N . GLN F 96 ? 0.4439 0.5117 0.6058 -0.0932 0.1024 -0.0094 90 GLN L N 8112 C CA . GLN F 96 ? 0.4690 0.5486 0.6340 -0.0990 0.1197 -0.0072 90 GLN L CA 8113 C C . GLN F 96 ? 0.4864 0.5986 0.6880 -0.1043 0.1226 -0.0055 90 GLN L C 8114 O O . GLN F 96 ? 0.4207 0.5539 0.6472 -0.0950 0.1192 -0.0078 90 GLN L O 8115 C CB . GLN F 96 ? 0.5248 0.6036 0.6797 -0.0883 0.1326 -0.0121 90 GLN L CB 8116 C CG . GLN F 96 ? 0.5907 0.6796 0.7448 -0.0943 0.1524 -0.0105 90 GLN L CG 8117 C CD . GLN F 96 ? 0.7261 0.8113 0.8677 -0.0842 0.1672 -0.0171 90 GLN L CD 8118 O OE1 . GLN F 96 ? 0.7938 0.8815 0.9448 -0.0708 0.1663 -0.0228 90 GLN L OE1 8119 N NE2 . GLN F 96 ? 0.7507 0.8279 0.8689 -0.0912 0.1816 -0.0164 90 GLN L NE2 8120 N N . TYR F 97 ? 0.4896 0.6068 0.6948 -0.1197 0.1284 -0.0004 91 TYR L N 8121 C CA . TYR F 97 ? 0.5250 0.6731 0.7641 -0.1298 0.1283 0.0022 91 TYR L CA 8122 C C . TYR F 97 ? 0.4618 0.6108 0.7109 -0.1296 0.1090 0.0001 91 TYR L C 8123 O O . TYR F 97 ? 0.4430 0.5634 0.6702 -0.1336 0.0986 -0.0004 91 TYR L O 8124 C CB . TYR F 97 ? 0.4189 0.6018 0.6862 -0.1225 0.1427 0.0021 91 TYR L CB 8125 C CG . TYR F 97 ? 0.4400 0.6197 0.6939 -0.1257 0.1631 0.0037 91 TYR L CG 8126 C CD1 . TYR F 97 ? 0.5004 0.6819 0.7526 -0.1438 0.1706 0.0094 91 TYR L CD1 8127 C CD2 . TYR F 97 ? 0.6878 0.8604 0.9280 -0.1119 0.1755 -0.0008 91 TYR L CD2 8128 C CE1 . TYR F 97 ? 0.5839 0.7621 0.8213 -0.1476 0.1896 0.0115 91 TYR L CE1 8129 C CE2 . TYR F 97 ? 0.6989 0.8676 0.9230 -0.1160 0.1947 0.0000 91 TYR L CE2 8130 C CZ . TYR F 97 ? 0.6567 0.8292 0.8796 -0.1336 0.2016 0.0066 91 TYR L CZ 8131 O OH . TYR F 97 ? 0.6572 0.8260 0.8621 -0.1384 0.2214 0.0080 91 TYR L OH 8132 N N . TYR F 98 ? 0.5047 0.6856 0.7853 -0.1247 0.1039 -0.0006 96 TYR L N 8133 C CA . TYR F 98 ? 0.5168 0.6997 0.8044 -0.1266 0.0854 -0.0024 96 TYR L CA 8134 C C . TYR F 98 ? 0.4926 0.6803 0.7857 -0.1073 0.0785 -0.0050 96 TYR L C 8135 O O . TYR F 98 ? 0.5140 0.7216 0.8263 -0.1059 0.0666 -0.0045 96 TYR L O 8136 C CB . TYR F 98 ? 0.4846 0.7010 0.8025 -0.1424 0.0815 0.0006 96 TYR L CB 8137 C CG . TYR F 98 ? 0.4356 0.6493 0.7503 -0.1605 0.0929 0.0039 96 TYR L CG 8138 C CD1 . TYR F 98 ? 0.4146 0.5887 0.6976 -0.1705 0.0928 0.0036 96 TYR L CD1 8139 C CD2 . TYR F 98 ? 0.4007 0.6508 0.7441 -0.1667 0.1050 0.0083 96 TYR L CD2 8140 C CE1 . TYR F 98 ? 0.4329 0.6011 0.7107 -0.1868 0.1038 0.0079 96 TYR L CE1 8141 C CE2 . TYR F 98 ? 0.4200 0.6664 0.7590 -0.1841 0.1164 0.0118 96 TYR L CE2 8142 C CZ . TYR F 98 ? 0.4367 0.6407 0.7418 -0.1944 0.1157 0.0117 96 TYR L CZ 8143 O OH . TYR F 98 ? 0.4590 0.6571 0.7585 -0.2118 0.1275 0.0165 96 TYR L OH 8144 N N . SER F 99 ? 0.4139 0.5826 0.6883 -0.0935 0.0859 -0.0075 97 SER L N 8145 C CA . SER F 99 ? 0.3505 0.5138 0.6226 -0.0762 0.0804 -0.0104 97 SER L CA 8146 C C . SER F 99 ? 0.5178 0.6433 0.7550 -0.0748 0.0730 -0.0139 97 SER L C 8147 O O . SER F 99 ? 0.5231 0.6273 0.7364 -0.0790 0.0798 -0.0140 97 SER L O 8148 C CB . SER F 99 ? 0.4322 0.6040 0.7116 -0.0617 0.0963 -0.0114 97 SER L CB 8149 O OG . SER F 99 ? 0.7367 0.9473 1.0536 -0.0589 0.1023 -0.0071 97 SER L OG 8150 N N . PHE F 100 ? 0.4848 0.6040 0.7198 -0.0689 0.0592 -0.0156 98 PHE L N 8151 C CA . PHE F 100 ? 0.3394 0.4272 0.5457 -0.0666 0.0517 -0.0183 98 PHE L CA 8152 C C . PHE F 100 ? 0.4603 0.5403 0.6595 -0.0513 0.0525 -0.0213 98 PHE L C 8153 O O . PHE F 100 ? 0.5460 0.6431 0.7644 -0.0415 0.0532 -0.0210 98 PHE L O 8154 C CB . PHE F 100 ? 0.3717 0.4545 0.5770 -0.0728 0.0366 -0.0188 98 PHE L CB 8155 C CG . PHE F 100 ? 0.4023 0.4762 0.6015 -0.0889 0.0359 -0.0175 98 PHE L CG 8156 C CD1 . PHE F 100 ? 0.5277 0.6230 0.7472 -0.1013 0.0344 -0.0162 98 PHE L CD1 8157 C CD2 . PHE F 100 ? 0.4947 0.5388 0.6682 -0.0918 0.0367 -0.0168 98 PHE L CD2 8158 C CE1 . PHE F 100 ? 0.5690 0.6521 0.7812 -0.1175 0.0347 -0.0156 98 PHE L CE1 8159 C CE2 . PHE F 100 ? 0.5115 0.5432 0.6788 -0.1055 0.0374 -0.0149 98 PHE L CE2 8160 C CZ . PHE F 100 ? 0.5750 0.6242 0.7607 -0.1189 0.0369 -0.0149 98 PHE L CZ 8161 N N . GLY F 101 ? 0.3397 0.3937 0.5114 -0.0496 0.0525 -0.0234 99 GLY L N 8162 C CA . GLY F 101 ? 0.3474 0.3902 0.5092 -0.0382 0.0510 -0.0268 99 GLY L CA 8163 C C . GLY F 101 ? 0.3618 0.4047 0.5288 -0.0340 0.0369 -0.0268 99 GLY L C 8164 O O . GLY F 101 ? 0.4467 0.4933 0.6187 -0.0409 0.0275 -0.0252 99 GLY L O 8165 N N . GLY F 102 ? 0.3445 0.3816 0.5087 -0.0233 0.0362 -0.0290 100 GLY L N 8166 C CA . GLY F 102 ? 0.3108 0.3476 0.4783 -0.0190 0.0238 -0.0284 100 GLY L CA 8167 C C . GLY F 102 ? 0.4813 0.4994 0.6286 -0.0237 0.0144 -0.0293 100 GLY L C 8168 O O . GLY F 102 ? 0.5393 0.5583 0.6889 -0.0231 0.0041 -0.0288 100 GLY L O 8169 N N . GLY F 103 ? 0.3920 0.3948 0.5201 -0.0281 0.0180 -0.0300 101 GLY L N 8170 C CA . GLY F 103 ? 0.4209 0.4080 0.5322 -0.0311 0.0105 -0.0292 101 GLY L CA 8171 C C . GLY F 103 ? 0.5236 0.4978 0.6186 -0.0263 0.0095 -0.0310 101 GLY L C 8172 O O . GLY F 103 ? 0.6211 0.5957 0.7183 -0.0200 0.0118 -0.0336 101 GLY L O 8173 N N . THR F 104 ? 0.4959 0.4588 0.5751 -0.0296 0.0062 -0.0288 102 THR L N 8174 C CA . THR F 104 ? 0.4690 0.4225 0.5328 -0.0276 0.0035 -0.0295 102 THR L CA 8175 C C . THR F 104 ? 0.4863 0.4348 0.5465 -0.0275 -0.0052 -0.0262 102 THR L C 8176 O O . THR F 104 ? 0.4627 0.4073 0.5186 -0.0307 -0.0058 -0.0216 102 THR L O 8177 C CB . THR F 104 ? 0.4540 0.4023 0.5009 -0.0322 0.0095 -0.0289 102 THR L CB 8178 O OG1 . THR F 104 ? 0.6557 0.6072 0.7051 -0.0316 0.0199 -0.0331 102 THR L OG1 8179 C CG2 . THR F 104 ? 0.5190 0.4603 0.5497 -0.0328 0.0051 -0.0294 102 THR L CG2 8180 N N . LYS F 105 ? 0.3915 0.3393 0.4536 -0.0233 -0.0108 -0.0278 103 LYS L N 8181 C CA . LYS F 105 ? 0.4294 0.3732 0.4886 -0.0223 -0.0172 -0.0251 103 LYS L CA 8182 C C . LYS F 105 ? 0.5606 0.5014 0.6069 -0.0233 -0.0187 -0.0219 103 LYS L C 8183 O O . LYS F 105 ? 0.5818 0.5221 0.6217 -0.0238 -0.0185 -0.0246 103 LYS L O 8184 C CB . LYS F 105 ? 0.4648 0.4103 0.5300 -0.0184 -0.0220 -0.0275 103 LYS L CB 8185 C CG . LYS F 105 ? 0.6798 0.6217 0.7448 -0.0177 -0.0263 -0.0261 103 LYS L CG 8186 C CD . LYS F 105 ? 0.8197 0.7637 0.8881 -0.0149 -0.0305 -0.0285 103 LYS L CD 8187 C CE . LYS F 105 ? 1.0045 0.9435 1.0710 -0.0150 -0.0327 -0.0287 103 LYS L CE 8188 N NZ . LYS F 105 ? 1.1535 1.0950 1.2207 -0.0138 -0.0367 -0.0312 103 LYS L NZ 8189 N N . VAL F 106 ? 0.3649 0.3035 0.4073 -0.0241 -0.0202 -0.0159 104 VAL L N 8190 C CA . VAL F 106 ? 0.3550 0.2956 0.3875 -0.0252 -0.0233 -0.0104 104 VAL L CA 8191 C C . VAL F 106 ? 0.4160 0.3581 0.4532 -0.0205 -0.0283 -0.0075 104 VAL L C 8192 O O . VAL F 106 ? 0.4227 0.3602 0.4664 -0.0168 -0.0279 -0.0060 104 VAL L O 8193 C CB . VAL F 106 ? 0.5066 0.4458 0.5325 -0.0279 -0.0214 -0.0030 104 VAL L CB 8194 C CG1 . VAL F 106 ? 0.3834 0.3285 0.4020 -0.0279 -0.0268 0.0052 104 VAL L CG1 8195 C CG2 . VAL F 106 ? 0.4480 0.3871 0.4664 -0.0335 -0.0152 -0.0062 104 VAL L CG2 8196 N N . GLU F 107 ? 0.5239 0.4716 0.5572 -0.0213 -0.0321 -0.0074 105 GLU L N 8197 C CA . GLU F 107 ? 0.4951 0.4471 0.5338 -0.0172 -0.0358 -0.0047 105 GLU L CA 8198 C C . GLU F 107 ? 0.4878 0.4509 0.5223 -0.0196 -0.0403 0.0027 105 GLU L C 8199 O O . GLU F 107 ? 0.4134 0.3798 0.4377 -0.0259 -0.0414 0.0041 105 GLU L O 8200 C CB . GLU F 107 ? 0.5001 0.4509 0.5408 -0.0170 -0.0364 -0.0114 105 GLU L CB 8201 C CG . GLU F 107 ? 0.6583 0.6027 0.7031 -0.0158 -0.0335 -0.0178 105 GLU L CG 8202 N N . ILE F 108 ? 0.4815 0.4519 0.5237 -0.0149 -0.0428 0.0077 106 ILE L N 8203 C CA . ILE F 108 ? 0.4372 0.4237 0.4793 -0.0171 -0.0481 0.0159 106 ILE L CA 8204 C C . ILE F 108 ? 0.3887 0.3803 0.4260 -0.0248 -0.0509 0.0104 106 ILE L C 8205 O O . ILE F 108 ? 0.3777 0.3658 0.4196 -0.0229 -0.0494 0.0055 106 ILE L O 8206 C CB . ILE F 108 ? 0.5197 0.5140 0.5752 -0.0076 -0.0481 0.0246 106 ILE L CB 8207 C CG1 . ILE F 108 ? 0.3789 0.3645 0.4380 0.0001 -0.0443 0.0310 106 ILE L CG1 8208 C CG2 . ILE F 108 ? 0.3091 0.3259 0.3684 -0.0104 -0.0545 0.0335 106 ILE L CG2 8209 C CD1 . ILE F 108 ? 0.6267 0.6150 0.6778 -0.0037 -0.0467 0.0384 106 ILE L CD1 8210 N N . LYS F 109 ? 0.3165 0.3149 0.3428 -0.0346 -0.0548 0.0112 107 LYS L N 8211 C CA . LYS F 109 ? 0.4472 0.4503 0.4679 -0.0439 -0.0576 0.0070 107 LYS L CA 8212 C C . LYS F 109 ? 0.4024 0.4275 0.4338 -0.0440 -0.0634 0.0164 107 LYS L C 8213 O O . LYS F 109 ? 0.3693 0.4102 0.4054 -0.0421 -0.0678 0.0273 107 LYS L O 8214 C CB . LYS F 109 ? 0.5035 0.5031 0.5051 -0.0564 -0.0586 0.0025 107 LYS L CB 8215 C CG . LYS F 109 ? 0.5464 0.5488 0.5388 -0.0691 -0.0616 -0.0020 107 LYS L CG 8216 C CD . LYS F 109 ? 0.8011 0.8011 0.7715 -0.0829 -0.0629 -0.0058 107 LYS L CD 8217 C CE . LYS F 109 ? 0.8980 0.8723 0.8543 -0.0863 -0.0539 -0.0193 107 LYS L CE 8218 N NZ . LYS F 109 ? 0.8726 0.8369 0.8282 -0.0907 -0.0519 -0.0260 107 LYS L NZ 8219 N N . ARG F 110 ? 0.4977 0.5248 0.5341 -0.0457 -0.0630 0.0133 108 ARG L N 8220 C CA . ARG F 110 ? 0.3125 0.3625 0.3602 -0.0476 -0.0675 0.0213 108 ARG L CA 8221 C C . ARG F 110 ? 0.3544 0.4024 0.3945 -0.0604 -0.0684 0.0145 108 ARG L C 8222 O O . ARG F 110 ? 0.5514 0.5776 0.5789 -0.0645 -0.0644 0.0043 108 ARG L O 8223 C CB . ARG F 110 ? 0.2995 0.3535 0.3648 -0.0338 -0.0631 0.0258 108 ARG L CB 8224 C CG . ARG F 110 ? 0.5273 0.5606 0.5905 -0.0294 -0.0566 0.0161 108 ARG L CG 8225 C CD . ARG F 110 ? 0.3755 0.4166 0.4513 -0.0228 -0.0530 0.0189 108 ARG L CD 8226 N NE . ARG F 110 ? 0.3540 0.4139 0.4340 -0.0317 -0.0563 0.0226 108 ARG L NE 8227 C CZ . ARG F 110 ? 0.3822 0.4600 0.4770 -0.0274 -0.0542 0.0290 108 ARG L CZ 8228 N NH1 . ARG F 110 ? 0.4410 0.5376 0.5401 -0.0376 -0.0574 0.0324 108 ARG L NH1 8229 N NH2 . ARG F 110 ? 0.2978 0.3747 0.4028 -0.0134 -0.0479 0.0319 108 ARG L NH2 8230 N N . THR F 111 ? 0.3468 0.4175 0.3956 -0.0664 -0.0729 0.0210 109 THR L N 8231 C CA . THR F 111 ? 0.4425 0.5110 0.4845 -0.0800 -0.0733 0.0153 109 THR L CA 8232 C C . THR F 111 ? 0.3529 0.4011 0.3956 -0.0740 -0.0657 0.0085 109 THR L C 8233 O O . THR F 111 ? 0.4310 0.4739 0.4824 -0.0600 -0.0612 0.0094 109 THR L O 8234 C CB . THR F 111 ? 0.3515 0.4521 0.4069 -0.0872 -0.0791 0.0247 109 THR L CB 8235 O OG1 . THR F 111 ? 0.4380 0.5519 0.5149 -0.0721 -0.0754 0.0325 109 THR L OG1 8236 C CG2 . THR F 111 ? 0.3337 0.4581 0.3876 -0.0955 -0.0886 0.0328 109 THR L CG2 8237 N N . VAL F 112 ? 0.4557 0.4922 0.4876 -0.0859 -0.0644 0.0020 110 VAL L N 8238 C CA . VAL F 112 ? 0.4189 0.4362 0.4493 -0.0820 -0.0580 -0.0028 110 VAL L CA 8239 C C . VAL F 112 ? 0.5393 0.5740 0.5857 -0.0769 -0.0566 0.0041 110 VAL L C 8240 O O . VAL F 112 ? 0.5795 0.6384 0.6349 -0.0844 -0.0600 0.0104 110 VAL L O 8241 C CB . VAL F 112 ? 0.3563 0.3548 0.3703 -0.0968 -0.0563 -0.0101 110 VAL L CB 8242 C CG1 . VAL F 112 ? 0.4751 0.4545 0.4879 -0.0922 -0.0502 -0.0126 110 VAL L CG1 8243 C CG2 . VAL F 112 ? 0.4463 0.4255 0.4437 -0.1004 -0.0551 -0.0180 110 VAL L CG2 8244 N N . ALA F 113 ? 0.5653 0.5891 0.6151 -0.0646 -0.0514 0.0029 111 ALA L N 8245 C CA . ALA F 113 ? 0.3542 0.3887 0.4147 -0.0597 -0.0476 0.0073 111 ALA L CA 8246 C C . ALA F 113 ? 0.4367 0.4487 0.4874 -0.0585 -0.0429 0.0026 111 ALA L C 8247 O O . ALA F 113 ? 0.4284 0.4222 0.4727 -0.0512 -0.0417 -0.0019 111 ALA L O 8248 C CB . ALA F 113 ? 0.3196 0.3644 0.3928 -0.0449 -0.0452 0.0116 111 ALA L CB 8249 N N . ALA F 114 ? 0.4891 0.5040 0.5394 -0.0662 -0.0406 0.0046 112 ALA L N 8250 C CA . ALA F 114 ? 0.4345 0.4289 0.4747 -0.0654 -0.0365 0.0024 112 ALA L CA 8251 C C . ALA F 114 ? 0.4147 0.4109 0.4586 -0.0531 -0.0324 0.0039 112 ALA L C 8252 O O . ALA F 114 ? 0.4623 0.4774 0.5177 -0.0481 -0.0302 0.0075 112 ALA L O 8253 C CB . ALA F 114 ? 0.3398 0.3352 0.3767 -0.0791 -0.0346 0.0048 112 ALA L CB 8254 N N . PRO F 115 ? 0.4631 0.4398 0.4970 -0.0481 -0.0311 0.0013 113 PRO L N 8255 C CA . PRO F 115 ? 0.4987 0.4759 0.5318 -0.0390 -0.0278 0.0017 113 PRO L CA 8256 C C . PRO F 115 ? 0.5047 0.4905 0.5378 -0.0429 -0.0224 0.0061 113 PRO L C 8257 O O . PRO F 115 ? 0.5563 0.5393 0.5855 -0.0527 -0.0216 0.0088 113 PRO L O 8258 C CB . PRO F 115 ? 0.4238 0.3804 0.4458 -0.0353 -0.0297 -0.0007 113 PRO L CB 8259 C CG . PRO F 115 ? 0.3990 0.3423 0.4153 -0.0430 -0.0309 -0.0005 113 PRO L CG 8260 C CD . PRO F 115 ? 0.4560 0.4097 0.4787 -0.0503 -0.0325 -0.0017 113 PRO L CD 8261 N N . SER F 116 ? 0.5429 0.5381 0.5796 -0.0357 -0.0175 0.0064 114 SER L N 8262 C CA . SER F 116 ? 0.5799 0.5782 0.6115 -0.0372 -0.0108 0.0092 114 SER L CA 8263 C C . SER F 116 ? 0.5477 0.5272 0.5621 -0.0339 -0.0116 0.0070 114 SER L C 8264 O O . SER F 116 ? 0.6742 0.6468 0.6856 -0.0270 -0.0143 0.0025 114 SER L O 8265 C CB . SER F 116 ? 0.4702 0.4865 0.5126 -0.0306 -0.0031 0.0101 114 SER L CB 8266 O OG . SER F 116 ? 0.6988 0.7327 0.7590 -0.0294 -0.0050 0.0125 114 SER L OG 8267 N N . VAL F 117 ? 0.5251 0.4973 0.5284 -0.0397 -0.0099 0.0111 115 VAL L N 8268 C CA . VAL F 117 ? 0.4962 0.4519 0.4832 -0.0376 -0.0127 0.0118 115 VAL L CA 8269 C C . VAL F 117 ? 0.5092 0.4679 0.4844 -0.0378 -0.0061 0.0135 115 VAL L C 8270 O O . VAL F 117 ? 0.5105 0.4758 0.4854 -0.0439 0.0003 0.0180 115 VAL L O 8271 C CB . VAL F 117 ? 0.4485 0.3888 0.4296 -0.0433 -0.0162 0.0165 115 VAL L CB 8272 C CG1 . VAL F 117 ? 0.3911 0.3170 0.3585 -0.0386 -0.0205 0.0193 115 VAL L CG1 8273 C CG2 . VAL F 117 ? 0.5104 0.4474 0.5012 -0.0448 -0.0203 0.0135 115 VAL L CG2 8274 N N . PHE F 118 ? 0.5162 0.4701 0.4807 -0.0324 -0.0074 0.0097 116 PHE L N 8275 C CA . PHE F 118 ? 0.4055 0.3593 0.3534 -0.0332 -0.0015 0.0099 116 PHE L CA 8276 C C . PHE F 118 ? 0.5674 0.5094 0.4975 -0.0330 -0.0094 0.0117 116 PHE L C 8277 O O . PHE F 118 ? 0.5207 0.4586 0.4537 -0.0292 -0.0176 0.0090 116 PHE L O 8278 C CB . PHE F 118 ? 0.4253 0.3859 0.3748 -0.0280 0.0059 0.0020 116 PHE L CB 8279 C CG . PHE F 118 ? 0.4094 0.3845 0.3802 -0.0252 0.0124 0.0014 116 PHE L CG 8280 C CD1 . PHE F 118 ? 0.4531 0.4413 0.4286 -0.0268 0.0235 0.0044 116 PHE L CD1 8281 C CD2 . PHE F 118 ? 0.3743 0.3520 0.3610 -0.0207 0.0077 -0.0012 116 PHE L CD2 8282 C CE1 . PHE F 118 ? 0.5206 0.5265 0.5186 -0.0233 0.0289 0.0056 116 PHE L CE1 8283 C CE2 . PHE F 118 ? 0.4736 0.4668 0.4799 -0.0176 0.0125 0.0001 116 PHE L CE2 8284 C CZ . PHE F 118 ? 0.5151 0.5237 0.5282 -0.0186 0.0227 0.0040 116 PHE L CZ 8285 N N . ILE F 119 ? 0.5174 0.4560 0.4295 -0.0372 -0.0070 0.0174 117 ILE L N 8286 C CA . ILE F 119 ? 0.6146 0.5455 0.5086 -0.0374 -0.0151 0.0213 117 ILE L CA 8287 C C . ILE F 119 ? 0.6017 0.5346 0.4736 -0.0404 -0.0095 0.0180 117 ILE L C 8288 O O . ILE F 119 ? 0.6691 0.6062 0.5364 -0.0435 0.0019 0.0179 117 ILE L O 8289 C CB . ILE F 119 ? 0.5658 0.4873 0.4555 -0.0398 -0.0193 0.0337 117 ILE L CB 8290 C CG1 . ILE F 119 ? 0.5931 0.5097 0.4699 -0.0373 -0.0301 0.0399 117 ILE L CG1 8291 C CG2 . ILE F 119 ? 0.4810 0.4022 0.3605 -0.0468 -0.0099 0.0400 117 ILE L CG2 8292 C CD1 . ILE F 119 ? 0.5558 0.4607 0.4288 -0.0373 -0.0335 0.0537 117 ILE L CD1 8293 N N . PHE F 120 ? 0.6818 0.6129 0.5402 -0.0401 -0.0169 0.0146 118 PHE L N 8294 C CA . PHE F 120 ? 0.6231 0.5539 0.4566 -0.0444 -0.0124 0.0089 118 PHE L CA 8295 C C . PHE F 120 ? 0.6710 0.6000 0.4824 -0.0487 -0.0232 0.0174 118 PHE L C 8296 O O . PHE F 120 ? 0.7191 0.6497 0.5353 -0.0467 -0.0363 0.0198 118 PHE L O 8297 C CB . PHE F 120 ? 0.5491 0.4792 0.3838 -0.0426 -0.0111 -0.0049 118 PHE L CB 8298 C CG . PHE F 120 ? 0.6644 0.5967 0.5210 -0.0369 -0.0010 -0.0118 118 PHE L CG 8299 C CD1 . PHE F 120 ? 0.4928 0.4262 0.3454 -0.0361 0.0146 -0.0173 118 PHE L CD1 8300 C CD2 . PHE F 120 ? 0.5340 0.4683 0.4149 -0.0317 -0.0067 -0.0123 118 PHE L CD2 8301 C CE1 . PHE F 120 ? 0.4770 0.4151 0.3518 -0.0294 0.0234 -0.0215 118 PHE L CE1 8302 C CE2 . PHE F 120 ? 0.6155 0.5535 0.5156 -0.0265 0.0014 -0.0168 118 PHE L CE2 8303 C CZ . PHE F 120 ? 0.5244 0.4651 0.4225 -0.0248 0.0160 -0.0208 118 PHE L CZ 8304 N N . PRO F 121 ? 0.6982 0.6258 0.4862 -0.0545 -0.0186 0.0233 119 PRO L N 8305 C CA . PRO F 121 ? 0.7587 0.6865 0.5223 -0.0591 -0.0297 0.0318 119 PRO L CA 8306 C C . PRO F 121 ? 0.7350 0.6654 0.4809 -0.0639 -0.0344 0.0205 119 PRO L C 8307 O O . PRO F 121 ? 0.7893 0.7172 0.5369 -0.0640 -0.0254 0.0056 119 PRO L O 8308 C CB . PRO F 121 ? 0.7729 0.6979 0.5143 -0.0651 -0.0200 0.0391 119 PRO L CB 8309 C CG . PRO F 121 ? 0.7410 0.6667 0.4912 -0.0647 -0.0024 0.0291 119 PRO L CG 8310 C CD . PRO F 121 ? 0.6110 0.5386 0.3956 -0.0572 -0.0036 0.0249 119 PRO L CD 8311 N N . PRO F 122 ? 0.7271 0.6625 0.4559 -0.0682 -0.0485 0.0277 120 PRO L N 8312 C CA . PRO F 122 ? 0.7710 0.7093 0.4792 -0.0763 -0.0538 0.0165 120 PRO L CA 8313 C C . PRO F 122 ? 0.8557 0.7868 0.5320 -0.0848 -0.0397 0.0061 120 PRO L C 8314 O O . PRO F 122 ? 0.8252 0.7542 0.4844 -0.0874 -0.0327 0.0137 120 PRO L O 8315 C CB . PRO F 122 ? 0.7311 0.6805 0.4282 -0.0795 -0.0728 0.0308 120 PRO L CB 8316 C CG . PRO F 122 ? 0.7506 0.7006 0.4708 -0.0695 -0.0775 0.0480 120 PRO L CG 8317 C CD . PRO F 122 ? 0.7421 0.6809 0.4702 -0.0661 -0.0608 0.0470 120 PRO L CD 8318 N N . SER F 123 ? 0.6631 0.5887 0.3304 -0.0893 -0.0346 -0.0115 121 SER L N 8319 C CA . SER F 123 ? 0.8440 0.7600 0.4775 -0.0978 -0.0205 -0.0235 121 SER L CA 8320 C C . SER F 123 ? 0.8867 0.8073 0.4813 -0.1104 -0.0306 -0.0174 121 SER L C 8321 O O . SER F 123 ? 0.9331 0.8653 0.5270 -0.1138 -0.0505 -0.0080 121 SER L O 8322 C CB . SER F 123 ? 0.9124 0.8175 0.5436 -0.1001 -0.0130 -0.0440 121 SER L CB 8323 O OG . SER F 123 ? 0.9756 0.8842 0.5929 -0.1102 -0.0289 -0.0480 121 SER L OG 8324 N N . ASP F 124 ? 0.9288 0.8418 0.4909 -0.1172 -0.0166 -0.0220 122 ASP L N 8325 C CA . ASP F 124 ? 1.1038 1.0201 0.6230 -0.1313 -0.0252 -0.0180 122 ASP L CA 8326 C C . ASP F 124 ? 1.0452 0.9613 0.5449 -0.1432 -0.0360 -0.0312 122 ASP L C 8327 O O . ASP F 124 ? 1.1103 1.0378 0.5864 -0.1542 -0.0536 -0.0233 122 ASP L O 8328 C CB . ASP F 124 ? 1.2778 1.1843 0.7641 -0.1369 -0.0049 -0.0230 122 ASP L CB 8329 C CG . ASP F 124 ? 1.4367 1.3469 0.9357 -0.1296 0.0025 -0.0063 122 ASP L CG 8330 O OD1 . ASP F 124 ? 1.3927 1.3121 0.8981 -0.1279 -0.0130 0.0137 122 ASP L OD1 8331 O OD2 . ASP F 124 ? 1.6161 1.5198 1.1197 -0.1254 0.0242 -0.0126 122 ASP L OD2 8332 N N . GLU F 125 ? 0.9973 0.9012 0.5070 -0.1420 -0.0264 -0.0503 123 GLU L N 8333 C CA . GLU F 125 ? 1.0116 0.9126 0.5028 -0.1552 -0.0354 -0.0643 123 GLU L CA 8334 C C . GLU F 125 ? 0.8918 0.8135 0.4050 -0.1557 -0.0613 -0.0522 123 GLU L C 8335 O O . GLU F 125 ? 0.9283 0.8597 0.4189 -0.1706 -0.0771 -0.0533 123 GLU L O 8336 C CB . GLU F 125 ? 1.1022 0.9825 0.6029 -0.1518 -0.0178 -0.0857 123 GLU L CB 8337 C CG . GLU F 125 ? 1.3896 1.2541 0.8890 -0.1427 0.0096 -0.0929 123 GLU L CG 8338 C CD . GLU F 125 ? 1.6138 1.4589 1.1291 -0.1355 0.0269 -0.1106 123 GLU L CD 8339 O OE1 . GLU F 125 ? 1.7166 1.5556 1.2351 -0.1408 0.0190 -0.1201 123 GLU L OE1 8340 O OE2 . GLU F 125 ? 1.5931 1.4299 1.1188 -0.1242 0.0484 -0.1138 123 GLU L OE2 8341 N N . GLN F 126 ? 0.7913 0.7215 0.3485 -0.1402 -0.0657 -0.0404 124 GLN L N 8342 C CA . GLN F 126 ? 0.8188 0.7692 0.3997 -0.1385 -0.0881 -0.0282 124 GLN L CA 8343 C C . GLN F 126 ? 0.8869 0.8561 0.4535 -0.1422 -0.1053 -0.0075 124 GLN L C 8344 O O . GLN F 126 ? 0.9762 0.9648 0.5434 -0.1487 -0.1254 -0.0004 124 GLN L O 8345 C CB . GLN F 126 ? 0.7762 0.7284 0.4048 -0.1209 -0.0863 -0.0215 124 GLN L CB 8346 C CG . GLN F 126 ? 0.7740 0.7454 0.4304 -0.1178 -0.1057 -0.0117 124 GLN L CG 8347 C CD . GLN F 126 ? 0.8378 0.8086 0.5368 -0.1010 -0.1022 -0.0056 124 GLN L CD 8348 O OE1 . GLN F 126 ? 0.8355 0.7948 0.5431 -0.0921 -0.0884 -0.0047 124 GLN L OE1 8349 N NE2 . GLN F 126 ? 0.7396 0.7239 0.4653 -0.0976 -0.1146 -0.0014 124 GLN L NE2 8350 N N . LEU F 127 ? 1.0138 0.9788 0.5681 -0.1383 -0.0978 0.0035 125 LEU L N 8351 C CA . LEU F 127 ? 0.9845 0.9650 0.5276 -0.1392 -0.1132 0.0264 125 LEU L CA 8352 C C . LEU F 127 ? 1.1367 1.1285 0.6380 -0.1579 -0.1267 0.0257 125 LEU L C 8353 O O . LEU F 127 ? 1.2233 1.2354 0.7211 -0.1594 -0.1462 0.0454 125 LEU L O 8354 C CB . LEU F 127 ? 1.0057 0.9757 0.5411 -0.1332 -0.0997 0.0368 125 LEU L CB 8355 C CG . LEU F 127 ? 0.9867 0.9499 0.5627 -0.1162 -0.0908 0.0433 125 LEU L CG 8356 C CD1 . LEU F 127 ? 0.9773 0.9293 0.5408 -0.1147 -0.0750 0.0498 125 LEU L CD1 8357 C CD2 . LEU F 127 ? 0.7438 0.7202 0.3500 -0.1057 -0.1083 0.0627 125 LEU L CD2 8358 N N . LYS F 128 ? 1.1841 1.1630 0.6529 -0.1724 -0.1167 0.0036 126 LYS L N 8359 C CA . LYS F 128 ? 1.1921 1.1809 0.6191 -0.1932 -0.1301 -0.0001 126 LYS L CA 8360 C C . LYS F 128 ? 1.1940 1.2017 0.6369 -0.2003 -0.1502 -0.0025 126 LYS L C 8361 O O . LYS F 128 ? 1.3652 1.3893 0.7792 -0.2179 -0.1670 -0.0007 126 LYS L O 8362 C CB . LYS F 128 ? 1.2681 1.2327 0.6516 -0.2073 -0.1105 -0.0246 126 LYS L CB 8363 C CG . LYS F 128 ? 1.3620 1.3131 0.7202 -0.2050 -0.0921 -0.0212 126 LYS L CG 8364 C CD . LYS F 128 ? 1.5055 1.4747 0.8414 -0.2095 -0.1079 0.0035 126 LYS L CD 8365 C CE . LYS F 128 ? 1.5193 1.5010 0.8146 -0.2307 -0.1240 0.0008 126 LYS L CE 8366 N NZ . LYS F 128 ? 1.3877 1.3880 0.6719 -0.2305 -0.1377 0.0261 126 LYS L NZ 8367 N N . SER F 129 ? 1.1698 1.1777 0.6575 -0.1880 -0.1492 -0.0057 127 SER L N 8368 C CA . SER F 129 ? 1.1704 1.1971 0.6766 -0.1946 -0.1665 -0.0079 127 SER L CA 8369 C C . SER F 129 ? 1.2642 1.3237 0.7999 -0.1857 -0.1892 0.0185 127 SER L C 8370 O O . SER F 129 ? 1.3434 1.4270 0.8879 -0.1946 -0.2075 0.0208 127 SER L O 8371 C CB . SER F 129 ? 1.0578 1.0691 0.5968 -0.1864 -0.1540 -0.0238 127 SER L CB 8372 O OG . SER F 129 ? 1.0773 1.0937 0.6620 -0.1649 -0.1532 -0.0099 127 SER L OG 8373 N N . GLY F 130 ? 1.1838 1.2444 0.7361 -0.1684 -0.1876 0.0386 128 GLY L N 8374 C CA . GLY F 130 ? 1.0628 1.1507 0.6409 -0.1577 -0.2067 0.0654 128 GLY L CA 8375 C C . GLY F 130 ? 1.0116 1.0953 0.6380 -0.1346 -0.2008 0.0749 128 GLY L C 8376 O O . GLY F 130 ? 1.0297 1.1287 0.6759 -0.1222 -0.2117 0.0985 128 GLY L O 8377 N N . THR F 131 ? 0.8429 0.9061 0.4884 -0.1283 -0.1839 0.0579 129 THR L N 8378 C CA . THR F 131 ? 0.8594 0.9174 0.5475 -0.1085 -0.1778 0.0648 129 THR L CA 8379 C C . THR F 131 ? 0.8200 0.8492 0.5063 -0.1020 -0.1554 0.0552 129 THR L C 8380 O O . THR F 131 ? 0.8592 0.8732 0.5163 -0.1116 -0.1434 0.0411 129 THR L O 8381 C CB . THR F 131 ? 0.9726 1.0404 0.6937 -0.1063 -0.1819 0.0562 129 THR L CB 8382 O OG1 . THR F 131 ? 1.1844 1.2389 0.8901 -0.1193 -0.1729 0.0319 129 THR L OG1 8383 C CG2 . THR F 131 ? 0.8993 1.0012 0.6317 -0.1097 -0.2045 0.0702 129 THR L CG2 8384 N N . ALA F 132 ? 0.7277 0.7501 0.4459 -0.0858 -0.1495 0.0631 130 ALA L N 8385 C CA . ALA F 132 ? 0.7075 0.7071 0.4291 -0.0796 -0.1301 0.0565 130 ALA L CA 8386 C C . ALA F 132 ? 0.7490 0.7440 0.5093 -0.0676 -0.1249 0.0523 130 ALA L C 8387 O O . ALA F 132 ? 0.8328 0.8376 0.6186 -0.0581 -0.1339 0.0643 130 ALA L O 8388 C CB . ALA F 132 ? 0.6823 0.6751 0.3939 -0.0746 -0.1270 0.0739 130 ALA L CB 8389 N N . SER F 133 ? 0.7707 0.7516 0.5351 -0.0679 -0.1101 0.0358 131 SER L N 8390 C CA . SER F 133 ? 0.6772 0.6530 0.4743 -0.0583 -0.1042 0.0305 131 SER L CA 8391 C C . SER F 133 ? 0.6493 0.6096 0.4501 -0.0533 -0.0883 0.0287 131 SER L C 8392 O O . SER F 133 ? 0.6757 0.6277 0.4588 -0.0587 -0.0767 0.0191 131 SER L O 8393 C CB . SER F 133 ? 0.5768 0.5527 0.3786 -0.0635 -0.1026 0.0131 131 SER L CB 8394 O OG . SER F 133 ? 0.6597 0.6525 0.4612 -0.0698 -0.1179 0.0147 131 SER L OG 8395 N N . VAL F 134 ? 0.5902 0.5470 0.4135 -0.0436 -0.0872 0.0379 132 VAL L N 8396 C CA . VAL F 134 ? 0.5403 0.4850 0.3716 -0.0402 -0.0737 0.0364 132 VAL L CA 8397 C C . VAL F 134 ? 0.6152 0.5584 0.4727 -0.0349 -0.0698 0.0268 132 VAL L C 8398 O O . VAL F 134 ? 0.6172 0.5651 0.4929 -0.0297 -0.0775 0.0295 132 VAL L O 8399 C CB . VAL F 134 ? 0.6440 0.5825 0.4783 -0.0355 -0.0744 0.0528 132 VAL L CB 8400 C CG1 . VAL F 134 ? 0.6315 0.5595 0.4657 -0.0369 -0.0603 0.0514 132 VAL L CG1 8401 C CG2 . VAL F 134 ? 0.6512 0.5945 0.4626 -0.0388 -0.0834 0.0662 132 VAL L CG2 8402 N N . VAL F 135 ? 0.5430 0.4811 0.4027 -0.0359 -0.0577 0.0165 133 VAL L N 8403 C CA . VAL F 135 ? 0.4869 0.4244 0.3683 -0.0318 -0.0540 0.0076 133 VAL L CA 8404 C C . VAL F 135 ? 0.6255 0.5586 0.5207 -0.0286 -0.0455 0.0102 133 VAL L C 8405 O O . VAL F 135 ? 0.7365 0.6682 0.6243 -0.0312 -0.0358 0.0097 133 VAL L O 8406 C CB . VAL F 135 ? 0.6164 0.5525 0.4906 -0.0351 -0.0477 -0.0064 133 VAL L CB 8407 C CG1 . VAL F 135 ? 0.5972 0.5321 0.4937 -0.0300 -0.0434 -0.0131 133 VAL L CG1 8408 C CG2 . VAL F 135 ? 0.6142 0.5541 0.4739 -0.0412 -0.0570 -0.0103 133 VAL L CG2 8409 N N . CYS F 136 ? 0.6182 0.5500 0.5330 -0.0238 -0.0486 0.0128 134 CYS L N 8410 C CA . CYS F 136 ? 0.6312 0.5599 0.5600 -0.0227 -0.0418 0.0128 134 CYS L CA 8411 C C . CYS F 136 ? 0.6042 0.5368 0.5474 -0.0204 -0.0392 0.0032 134 CYS L C 8412 O O . CYS F 136 ? 0.5954 0.5295 0.5448 -0.0179 -0.0448 -0.0005 134 CYS L O 8413 C CB . CYS F 136 ? 0.6711 0.5925 0.6087 -0.0199 -0.0459 0.0211 134 CYS L CB 8414 S SG . CYS F 136 ? 0.7900 0.7043 0.7379 -0.0228 -0.0385 0.0227 134 CYS L SG 8415 N N . LEU F 137 ? 0.4900 0.4257 0.4390 -0.0212 -0.0306 0.0002 135 LEU L N 8416 C CA . LEU F 137 ? 0.4706 0.4105 0.4334 -0.0182 -0.0278 -0.0066 135 LEU L CA 8417 C C . LEU F 137 ? 0.5594 0.5026 0.5373 -0.0187 -0.0260 -0.0038 135 LEU L C 8418 O O . LEU F 137 ? 0.5424 0.4887 0.5202 -0.0226 -0.0214 0.0005 135 LEU L O 8419 C CB . LEU F 137 ? 0.3783 0.3212 0.3361 -0.0174 -0.0189 -0.0126 135 LEU L CB 8420 C CG . LEU F 137 ? 0.6074 0.5559 0.5814 -0.0130 -0.0130 -0.0160 135 LEU L CG 8421 C CD1 . LEU F 137 ? 0.5128 0.4578 0.4948 -0.0099 -0.0180 -0.0204 135 LEU L CD1 8422 C CD2 . LEU F 137 ? 0.6329 0.5830 0.6015 -0.0107 -0.0015 -0.0201 135 LEU L CD2 8423 N N . LEU F 138 ? 0.4797 0.4227 0.4691 -0.0163 -0.0298 -0.0063 136 LEU L N 8424 C CA . LEU F 138 ? 0.4164 0.3637 0.4184 -0.0179 -0.0288 -0.0053 136 LEU L CA 8425 C C . LEU F 138 ? 0.4082 0.3634 0.4200 -0.0141 -0.0261 -0.0092 136 LEU L C 8426 O O . LEU F 138 ? 0.5702 0.5221 0.5841 -0.0107 -0.0289 -0.0131 136 LEU L O 8427 C CB . LEU F 138 ? 0.4895 0.4288 0.4948 -0.0182 -0.0342 -0.0047 136 LEU L CB 8428 C CG . LEU F 138 ? 0.4210 0.3488 0.4203 -0.0205 -0.0359 0.0001 136 LEU L CG 8429 C CD1 . LEU F 138 ? 0.5287 0.4527 0.5169 -0.0183 -0.0381 0.0039 136 LEU L CD1 8430 C CD2 . LEU F 138 ? 0.3966 0.3171 0.4014 -0.0180 -0.0390 -0.0015 136 LEU L CD2 8431 N N . ASN F 139 ? 0.4283 0.3949 0.4475 -0.0146 -0.0206 -0.0071 137 ASN L N 8432 C CA . ASN F 139 ? 0.5124 0.4867 0.5412 -0.0088 -0.0163 -0.0088 137 ASN L CA 8433 C C . ASN F 139 ? 0.3972 0.3834 0.4405 -0.0100 -0.0185 -0.0050 137 ASN L C 8434 O O . ASN F 139 ? 0.4867 0.4824 0.5343 -0.0162 -0.0190 -0.0007 137 ASN L O 8435 C CB . ASN F 139 ? 0.4382 0.4189 0.4657 -0.0062 -0.0068 -0.0083 137 ASN L CB 8436 C CG . ASN F 139 ? 0.5794 0.5621 0.6143 0.0022 -0.0003 -0.0107 137 ASN L CG 8437 O OD1 . ASN F 139 ? 0.7001 0.6975 0.7492 0.0060 0.0051 -0.0061 137 ASN L OD1 8438 N ND2 . ASN F 139 ? 0.7142 0.6826 0.7405 0.0051 -0.0006 -0.0171 137 ASN L ND2 8439 N N . ASN F 140 ? 0.4570 0.4423 0.5063 -0.0054 -0.0204 -0.0064 138 ASN L N 8440 C CA . ASN F 140 ? 0.4879 0.4865 0.5503 -0.0047 -0.0220 -0.0018 138 ASN L CA 8441 C C . ASN F 140 ? 0.5036 0.5061 0.5657 -0.0141 -0.0284 0.0002 138 ASN L C 8442 O O . ASN F 140 ? 0.4129 0.4312 0.4823 -0.0195 -0.0290 0.0051 138 ASN L O 8443 C CB . ASN F 140 ? 0.3427 0.3592 0.4178 -0.0001 -0.0156 0.0038 138 ASN L CB 8444 C CG . ASN F 140 ? 0.4730 0.4827 0.5484 0.0103 -0.0073 0.0012 138 ASN L CG 8445 O OD1 . ASN F 140 ? 0.4764 0.4702 0.5449 0.0134 -0.0079 -0.0039 138 ASN L OD1 8446 N ND2 . ASN F 140 ? 0.6584 0.6793 0.7415 0.0152 0.0015 0.0044 138 ASN L ND2 8447 N N . PHE F 141 ? 0.4465 0.4348 0.5005 -0.0165 -0.0326 -0.0040 139 PHE L N 8448 C CA . PHE F 141 ? 0.3975 0.3833 0.4476 -0.0252 -0.0367 -0.0042 139 PHE L CA 8449 C C . PHE F 141 ? 0.3530 0.3350 0.4026 -0.0248 -0.0399 -0.0063 139 PHE L C 8450 O O . PHE F 141 ? 0.4055 0.3836 0.4569 -0.0179 -0.0394 -0.0078 139 PHE L O 8451 C CB . PHE F 141 ? 0.3514 0.3212 0.3908 -0.0286 -0.0365 -0.0067 139 PHE L CB 8452 C CG . PHE F 141 ? 0.3873 0.3437 0.4220 -0.0223 -0.0373 -0.0104 139 PHE L CG 8453 C CD1 . PHE F 141 ? 0.3021 0.2494 0.3349 -0.0224 -0.0392 -0.0133 139 PHE L CD1 8454 C CD2 . PHE F 141 ? 0.3723 0.3267 0.4041 -0.0173 -0.0358 -0.0109 139 PHE L CD2 8455 C CE1 . PHE F 141 ? 0.5125 0.4521 0.5443 -0.0168 -0.0402 -0.0155 139 PHE L CE1 8456 C CE2 . PHE F 141 ? 0.3801 0.3261 0.4085 -0.0133 -0.0380 -0.0135 139 PHE L CE2 8457 C CZ . PHE F 141 ? 0.3580 0.2981 0.3880 -0.0128 -0.0404 -0.0153 139 PHE L CZ 8458 N N . TYR F 142 ? 0.4374 0.4198 0.4831 -0.0335 -0.0427 -0.0066 140 TYR L N 8459 C CA . TYR F 142 ? 0.3369 0.3146 0.3787 -0.0349 -0.0449 -0.0091 140 TYR L CA 8460 C C . TYR F 142 ? 0.4389 0.4075 0.4699 -0.0459 -0.0455 -0.0126 140 TYR L C 8461 O O . TYR F 142 ? 0.5610 0.5357 0.5907 -0.0549 -0.0464 -0.0109 140 TYR L O 8462 C CB . TYR F 142 ? 0.3093 0.3036 0.3583 -0.0337 -0.0475 -0.0036 140 TYR L CB 8463 C CG . TYR F 142 ? 0.3549 0.3429 0.3979 -0.0346 -0.0488 -0.0059 140 TYR L CG 8464 C CD1 . TYR F 142 ? 0.2911 0.2718 0.3362 -0.0264 -0.0468 -0.0071 140 TYR L CD1 8465 C CD2 . TYR F 142 ? 0.3095 0.2971 0.3425 -0.0452 -0.0513 -0.0077 140 TYR L CD2 8466 C CE1 . TYR F 142 ? 0.2944 0.2696 0.3340 -0.0278 -0.0468 -0.0089 140 TYR L CE1 8467 C CE2 . TYR F 142 ? 0.3869 0.3677 0.4122 -0.0464 -0.0510 -0.0103 140 TYR L CE2 8468 C CZ . TYR F 142 ? 0.3038 0.2792 0.3334 -0.0372 -0.0485 -0.0104 140 TYR L CZ 8469 O OH . TYR F 142 ? 0.5974 0.5673 0.6198 -0.0388 -0.0473 -0.0124 140 TYR L OH 8470 N N . PRO F 143 ? 0.4324 0.3856 0.4555 -0.0457 -0.0438 -0.0180 141 PRO L N 8471 C CA . PRO F 143 ? 0.3831 0.3304 0.4091 -0.0366 -0.0423 -0.0200 141 PRO L CA 8472 C C . PRO F 143 ? 0.3654 0.3040 0.3941 -0.0290 -0.0405 -0.0209 141 PRO L C 8473 O O . PRO F 143 ? 0.4255 0.3629 0.4536 -0.0296 -0.0402 -0.0191 141 PRO L O 8474 C CB . PRO F 143 ? 0.3748 0.3107 0.3910 -0.0413 -0.0401 -0.0252 141 PRO L CB 8475 C CG . PRO F 143 ? 0.4476 0.3728 0.4542 -0.0500 -0.0384 -0.0280 141 PRO L CG 8476 C CD . PRO F 143 ? 0.4231 0.3643 0.4336 -0.0561 -0.0426 -0.0228 141 PRO L CD 8477 N N . ARG F 144 ? 0.4185 0.3524 0.4499 -0.0230 -0.0394 -0.0231 142 ARG L N 8478 C CA . ARG F 144 ? 0.5134 0.4448 0.5489 -0.0162 -0.0396 -0.0228 142 ARG L CA 8479 C C . ARG F 144 ? 0.5299 0.4504 0.5620 -0.0152 -0.0383 -0.0226 142 ARG L C 8480 O O . ARG F 144 ? 0.6971 0.6178 0.7299 -0.0119 -0.0399 -0.0201 142 ARG L O 8481 C CB . ARG F 144 ? 0.5074 0.4399 0.5481 -0.0121 -0.0393 -0.0247 142 ARG L CB 8482 C CG . ARG F 144 ? 0.6944 0.6288 0.7399 -0.0073 -0.0412 -0.0245 142 ARG L CG 8483 C CD . ARG F 144 ? 0.8895 0.8255 0.9413 -0.0053 -0.0403 -0.0263 142 ARG L CD 8484 N NE . ARG F 144 ? 0.9558 0.8970 1.0119 -0.0042 -0.0429 -0.0267 142 ARG L NE 8485 C CZ . ARG F 144 ? 1.0820 1.0268 1.1416 -0.0022 -0.0460 -0.0258 142 ARG L CZ 8486 N NH1 . ARG F 144 ? 1.0859 1.0287 1.1465 0.0011 -0.0463 -0.0230 142 ARG L NH1 8487 N NH2 . ARG F 144 ? 1.1772 1.1269 1.2385 -0.0039 -0.0488 -0.0271 142 ARG L NH2 8488 N N . GLU F 145 ? 0.3751 0.2846 0.4021 -0.0181 -0.0349 -0.0250 143 GLU L N 8489 C CA . GLU F 145 ? 0.5600 0.4553 0.5845 -0.0151 -0.0320 -0.0242 143 GLU L CA 8490 C C . GLU F 145 ? 0.5913 0.4831 0.6111 -0.0179 -0.0330 -0.0202 143 GLU L C 8491 O O . GLU F 145 ? 0.6136 0.5063 0.6279 -0.0264 -0.0329 -0.0205 143 GLU L O 8492 C CB . GLU F 145 ? 0.5708 0.4511 0.5880 -0.0188 -0.0259 -0.0289 143 GLU L CB 8493 C CG . GLU F 145 ? 1.0126 0.8937 1.0346 -0.0140 -0.0224 -0.0323 143 GLU L CG 8494 C CD . GLU F 145 ? 1.1678 1.0629 1.1910 -0.0177 -0.0252 -0.0338 143 GLU L CD 8495 O OE1 . GLU F 145 ? 1.0003 0.8983 1.0157 -0.0263 -0.0269 -0.0348 143 GLU L OE1 8496 O OE2 . GLU F 145 ? 1.2424 1.1463 1.2748 -0.0123 -0.0258 -0.0332 143 GLU L OE2 8497 N N . ALA F 146 ? 0.5465 0.4361 0.5685 -0.0115 -0.0344 -0.0156 144 ALA L N 8498 C CA . ALA F 146 ? 0.5570 0.4426 0.5731 -0.0137 -0.0349 -0.0106 144 ALA L CA 8499 C C . ALA F 146 ? 0.6190 0.4972 0.6362 -0.0054 -0.0355 -0.0047 144 ALA L C 8500 O O . ALA F 146 ? 0.7353 0.6225 0.7603 0.0017 -0.0389 -0.0034 144 ALA L O 8501 C CB . ALA F 146 ? 0.3408 0.2419 0.3574 -0.0157 -0.0382 -0.0095 144 ALA L CB 8502 N N . LYS F 147 ? 0.5671 0.4296 0.5769 -0.0069 -0.0325 -0.0003 145 LYS L N 8503 C CA . LYS F 147 ? 0.6225 0.4772 0.6326 0.0013 -0.0332 0.0082 145 LYS L CA 8504 C C . LYS F 147 ? 0.6747 0.5350 0.6772 -0.0016 -0.0368 0.0145 145 LYS L C 8505 O O . LYS F 147 ? 0.6412 0.4969 0.6356 -0.0104 -0.0341 0.0142 145 LYS L O 8506 C CB . LYS F 147 ? 0.7162 0.5449 0.7217 0.0026 -0.0257 0.0098 145 LYS L CB 8507 C CG . LYS F 147 ? 0.8691 0.6897 0.8803 0.0156 -0.0251 0.0193 145 LYS L CG 8508 C CD . LYS F 147 ? 0.8175 0.6073 0.8238 0.0179 -0.0150 0.0200 145 LYS L CD 8509 N N . VAL F 148 ? 0.6574 0.5290 0.6620 0.0047 -0.0429 0.0201 146 VAL L N 8510 C CA . VAL F 148 ? 0.5933 0.4703 0.5880 0.0021 -0.0462 0.0261 146 VAL L CA 8511 C C . VAL F 148 ? 0.6934 0.5649 0.6866 0.0100 -0.0494 0.0379 146 VAL L C 8512 O O . VAL F 148 ? 0.7655 0.6460 0.7686 0.0182 -0.0542 0.0408 146 VAL L O 8513 C CB . VAL F 148 ? 0.6391 0.5356 0.6335 0.0002 -0.0510 0.0213 146 VAL L CB 8514 C CG1 . VAL F 148 ? 0.6731 0.5733 0.6537 -0.0034 -0.0526 0.0263 146 VAL L CG1 8515 C CG2 . VAL F 148 ? 0.6220 0.5239 0.6206 -0.0049 -0.0476 0.0117 146 VAL L CG2 8516 N N . GLN F 149 ? 0.6287 0.4869 0.6106 0.0076 -0.0469 0.0460 147 GLN L N 8517 C CA . GLN F 149 ? 0.7122 0.5627 0.6917 0.0157 -0.0495 0.0598 147 GLN L CA 8518 C C . GLN F 149 ? 0.7169 0.5713 0.6803 0.0109 -0.0527 0.0678 147 GLN L C 8519 O O . GLN F 149 ? 0.7081 0.5567 0.6610 0.0013 -0.0475 0.0654 147 GLN L O 8520 C CB . GLN F 149 ? 0.7750 0.5975 0.7547 0.0189 -0.0412 0.0640 147 GLN L CB 8521 C CG . GLN F 149 ? 0.9503 0.7673 0.9444 0.0264 -0.0373 0.0582 147 GLN L CG 8522 C CD . GLN F 149 ? 1.1163 0.9011 1.1075 0.0291 -0.0270 0.0607 147 GLN L CD 8523 O OE1 . GLN F 149 ? 1.1788 0.9452 1.1578 0.0183 -0.0209 0.0578 147 GLN L OE1 8524 N NE2 . GLN F 149 ? 1.1604 0.9380 1.1633 0.0430 -0.0243 0.0661 147 GLN L NE2 8525 N N . TRP F 150 ? 0.6988 0.5647 0.6602 0.0168 -0.0612 0.0777 148 TRP L N 8526 C CA . TRP F 150 ? 0.6145 0.4850 0.5579 0.0123 -0.0650 0.0862 148 TRP L CA 8527 C C . TRP F 150 ? 0.6631 0.5152 0.6001 0.0176 -0.0636 0.1029 148 TRP L C 8528 O O . TRP F 150 ? 0.8221 0.6680 0.7709 0.0292 -0.0650 0.1115 148 TRP L O 8529 C CB . TRP F 150 ? 0.6509 0.5458 0.5922 0.0132 -0.0763 0.0874 148 TRP L CB 8530 C CG . TRP F 150 ? 0.5636 0.4724 0.5049 0.0060 -0.0763 0.0717 148 TRP L CG 8531 C CD1 . TRP F 150 ? 0.6169 0.5363 0.5736 0.0080 -0.0785 0.0620 148 TRP L CD1 8532 C CD2 . TRP F 150 ? 0.5851 0.4970 0.5105 -0.0039 -0.0725 0.0643 148 TRP L CD2 8533 N NE1 . TRP F 150 ? 0.6336 0.5604 0.5843 0.0002 -0.0766 0.0496 148 TRP L NE1 8534 C CE2 . TRP F 150 ? 0.6071 0.5296 0.5392 -0.0064 -0.0725 0.0505 148 TRP L CE2 8535 C CE3 . TRP F 150 ? 0.6709 0.5770 0.5771 -0.0105 -0.0679 0.0684 148 TRP L CE3 8536 C CZ2 . TRP F 150 ? 0.6381 0.5642 0.5592 -0.0138 -0.0677 0.0408 148 TRP L CZ2 8537 C CZ3 . TRP F 150 ? 0.6548 0.5671 0.5507 -0.0182 -0.0628 0.0582 148 TRP L CZ3 8538 C CH2 . TRP F 150 ? 0.6652 0.5868 0.5689 -0.0191 -0.0625 0.0446 148 TRP L CH2 8539 N N . LYS F 151 ? 0.7335 0.5763 0.6522 0.0096 -0.0597 0.1081 149 LYS L N 8540 C CA . LYS F 151 ? 0.7314 0.5549 0.6405 0.0133 -0.0580 0.1254 149 LYS L CA 8541 C C . LYS F 151 ? 0.7748 0.6084 0.6621 0.0070 -0.0627 0.1341 149 LYS L C 8542 O O . LYS F 151 ? 0.7669 0.6089 0.6432 -0.0041 -0.0594 0.1249 149 LYS L O 8543 C CB . LYS F 151 ? 0.5753 0.3698 0.4825 0.0077 -0.0455 0.1236 149 LYS L CB 8544 C CG . LYS F 151 ? 0.8568 0.6365 0.7814 0.0143 -0.0403 0.1166 149 LYS L CG 8545 C CD . LYS F 151 ? 0.9449 0.6929 0.8642 0.0067 -0.0282 0.1145 149 LYS L CD 8546 N N . VAL F 152 ? 0.7514 0.5855 0.6328 0.0148 -0.0701 0.1522 150 VAL L N 8547 C CA . VAL F 152 ? 0.6644 0.5085 0.5224 0.0093 -0.0760 0.1628 150 VAL L CA 8548 C C . VAL F 152 ? 0.7880 0.6081 0.6355 0.0128 -0.0723 0.1829 150 VAL L C 8549 O O . VAL F 152 ? 0.8196 0.6335 0.6764 0.0262 -0.0770 0.1983 150 VAL L O 8550 C CB . VAL F 152 ? 0.6982 0.5703 0.5568 0.0140 -0.0913 0.1676 150 VAL L CB 8551 C CG1 . VAL F 152 ? 0.7830 0.6634 0.6133 0.0071 -0.0973 0.1792 150 VAL L CG1 8552 C CG2 . VAL F 152 ? 0.6440 0.5359 0.5121 0.0094 -0.0936 0.1473 150 VAL L CG2 8553 N N . ASP F 153 ? 0.7771 0.5834 0.6060 0.0011 -0.0632 0.1835 151 ASP L N 8554 C CA . ASP F 153 ? 0.7454 0.5235 0.5633 0.0018 -0.0568 0.2012 151 ASP L CA 8555 C C . ASP F 153 ? 0.7206 0.4713 0.5573 0.0117 -0.0503 0.2031 151 ASP L C 8556 O O . ASP F 153 ? 0.8145 0.5457 0.6510 0.0223 -0.0503 0.2217 151 ASP L O 8557 C CB . ASP F 153 ? 0.8237 0.6080 0.6251 0.0075 -0.0671 0.2239 151 ASP L CB 8558 C CG . ASP F 153 ? 1.0600 0.8606 0.8337 -0.0059 -0.0691 0.2237 151 ASP L CG 8559 O OD1 . ASP F 153 ? 1.1721 0.9727 0.9393 -0.0189 -0.0591 0.2091 151 ASP L OD1 8560 O OD2 . ASP F 153 ? 1.1749 0.9890 0.9331 -0.0034 -0.0802 0.2388 151 ASP L OD2 8561 N N . ASN F 154 ? 0.7262 0.4749 0.5785 0.0084 -0.0441 0.1839 152 ASN L N 8562 C CA . ASN F 154 ? 0.8004 0.5229 0.6681 0.0141 -0.0357 0.1797 152 ASN L CA 8563 C C . ASN F 154 ? 0.8294 0.5571 0.7174 0.0326 -0.0417 0.1837 152 ASN L C 8564 O O . ASN F 154 ? 0.9030 0.6092 0.8037 0.0387 -0.0338 0.1791 152 ASN L O 8565 C CB . ASN F 154 ? 0.7816 0.4648 0.6376 0.0112 -0.0249 0.1919 152 ASN L CB 8566 C CG . ASN F 154 ? 0.8565 0.5333 0.6967 -0.0091 -0.0163 0.1858 152 ASN L CG 8567 O OD1 . ASN F 154 ? 0.9414 0.6337 0.7863 -0.0201 -0.0141 0.1681 152 ASN L OD1 8568 N ND2 . ASN F 154 ? 0.9568 0.6116 0.7792 -0.0137 -0.0111 0.2018 152 ASN L ND2 8569 N N . ALA F 155 ? 0.7825 0.5390 0.6740 0.0408 -0.0550 0.1916 153 ALA L N 8570 C CA . ALA F 155 ? 0.7622 0.5305 0.6763 0.0578 -0.0614 0.1960 153 ALA L CA 8571 C C . ALA F 155 ? 0.7160 0.5060 0.6458 0.0550 -0.0633 0.1750 153 ALA L C 8572 O O . ALA F 155 ? 0.7464 0.5624 0.6704 0.0458 -0.0704 0.1658 153 ALA L O 8573 C CB . ALA F 155 ? 0.6805 0.4735 0.5919 0.0661 -0.0762 0.2153 153 ALA L CB 8574 N N . LEU F 156 ? 0.8197 0.5973 0.7679 0.0629 -0.0561 0.1675 154 LEU L N 8575 C CA . LEU F 156 ? 0.8566 0.6539 0.8203 0.0615 -0.0577 0.1498 154 LEU L CA 8576 C C . LEU F 156 ? 0.8465 0.6803 0.8215 0.0683 -0.0720 0.1550 154 LEU L C 8577 O O . LEU F 156 ? 0.9239 0.7643 0.9093 0.0822 -0.0776 0.1720 154 LEU L O 8578 C CB . LEU F 156 ? 0.8950 0.6706 0.8742 0.0697 -0.0465 0.1431 154 LEU L CB 8579 C CG . LEU F 156 ? 0.9704 0.7635 0.9666 0.0702 -0.0468 0.1267 154 LEU L CG 8580 C CD1 . LEU F 156 ? 1.0639 0.8690 1.0509 0.0533 -0.0480 0.1095 154 LEU L CD1 8581 C CD2 . LEU F 156 ? 0.8795 0.6460 0.8859 0.0775 -0.0336 0.1211 154 LEU L CD2 8582 N N . GLN F 157 ? 0.7567 0.6145 0.7300 0.0581 -0.0777 0.1410 155 GLN L N 8583 C CA . GLN F 157 ? 0.7628 0.6550 0.7438 0.0599 -0.0913 0.1430 155 GLN L CA 8584 C C . GLN F 157 ? 0.7358 0.6401 0.7426 0.0675 -0.0908 0.1352 155 GLN L C 8585 O O . GLN F 157 ? 0.6820 0.5726 0.6954 0.0659 -0.0807 0.1214 155 GLN L O 8586 C CB . GLN F 157 ? 0.6527 0.5610 0.6164 0.0444 -0.0963 0.1313 155 GLN L CB 8587 C CG . GLN F 157 ? 0.6397 0.5426 0.5767 0.0363 -0.0977 0.1393 155 GLN L CG 8588 C CD . GLN F 157 ? 0.5928 0.5015 0.5257 0.0446 -0.1070 0.1620 155 GLN L CD 8589 O OE1 . GLN F 157 ? 0.7118 0.6473 0.6503 0.0475 -0.1200 0.1686 155 GLN L OE1 8590 N NE2 . GLN F 157 ? 0.7087 0.5929 0.6321 0.0480 -0.1008 0.1751 155 GLN L NE2 8591 N N . SER F 158 ? 0.7688 0.7013 0.7898 0.0745 -0.1021 0.1442 156 SER L N 8592 C CA . SER F 158 ? 0.8197 0.7676 0.8671 0.0819 -0.1018 0.1389 156 SER L CA 8593 C C . SER F 158 ? 0.6447 0.6317 0.6990 0.0779 -0.1171 0.1412 156 SER L C 8594 O O . SER F 158 ? 0.6979 0.7017 0.7468 0.0791 -0.1291 0.1565 156 SER L O 8595 C CB . SER F 158 ? 1.0026 0.9390 1.0705 0.1010 -0.0950 0.1521 156 SER L CB 8596 O OG . SER F 158 ? 1.1549 1.1004 1.2468 0.1074 -0.0899 0.1438 156 SER L OG 8597 N N . GLY F 159 ? 0.4668 0.4677 0.5317 0.0720 -0.1170 0.1261 157 GLY L N 8598 C CA . GLY F 159 ? 0.5127 0.5496 0.5874 0.0671 -0.1301 0.1264 157 GLY L CA 8599 C C . GLY F 159 ? 0.6603 0.7093 0.7103 0.0508 -0.1408 0.1223 157 GLY L C 8600 O O . GLY F 159 ? 0.7149 0.7939 0.7696 0.0449 -0.1535 0.1244 157 GLY L O 8601 N N . ASN F 160 ? 0.6299 0.6571 0.6534 0.0424 -0.1356 0.1160 158 ASN L N 8602 C CA . ASN F 160 ? 0.6157 0.6505 0.6126 0.0273 -0.1430 0.1109 158 ASN L CA 8603 C C . ASN F 160 ? 0.5395 0.5559 0.5216 0.0168 -0.1324 0.0914 158 ASN L C 8604 O O . ASN F 160 ? 0.6141 0.6236 0.5707 0.0072 -0.1315 0.0876 158 ASN L O 8605 C CB . ASN F 160 ? 0.5009 0.5325 0.4776 0.0279 -0.1484 0.1272 158 ASN L CB 8606 C CG . ASN F 160 ? 0.6833 0.6834 0.6538 0.0345 -0.1359 0.1318 158 ASN L CG 8607 O OD1 . ASN F 160 ? 0.6149 0.5963 0.5976 0.0394 -0.1240 0.1237 158 ASN L OD1 8608 N ND2 . ASN F 160 ? 0.6052 0.5990 0.5552 0.0335 -0.1388 0.1451 158 ASN L ND2 8609 N N . SER F 161 ? 0.5319 0.5412 0.5298 0.0188 -0.1238 0.0795 159 SER L N 8610 C CA . SER F 161 ? 0.5178 0.5135 0.5052 0.0101 -0.1148 0.0626 159 SER L CA 8611 C C . SER F 161 ? 0.5537 0.5561 0.5586 0.0092 -0.1126 0.0510 159 SER L C 8612 O O . SER F 161 ? 0.7243 0.7361 0.7511 0.0170 -0.1142 0.0556 159 SER L O 8613 C CB . SER F 161 ? 0.5258 0.4964 0.5083 0.0131 -0.1028 0.0617 159 SER L CB 8614 O OG . SER F 161 ? 0.6460 0.6076 0.6478 0.0229 -0.0970 0.0640 159 SER L OG 8615 N N . GLN F 162 ? 0.4614 0.4584 0.4566 0.0001 -0.1081 0.0367 160 GLN L N 8616 C CA . GLN F 162 ? 0.5454 0.5451 0.5535 -0.0020 -0.1048 0.0256 160 GLN L CA 8617 C C . GLN F 162 ? 0.5313 0.5132 0.5325 -0.0047 -0.0938 0.0148 160 GLN L C 8618 O O . GLN F 162 ? 0.5903 0.5635 0.5739 -0.0088 -0.0904 0.0127 160 GLN L O 8619 C CB . GLN F 162 ? 0.5548 0.5708 0.5593 -0.0120 -0.1131 0.0202 160 GLN L CB 8620 C CG . GLN F 162 ? 0.5702 0.6105 0.5851 -0.0106 -0.1257 0.0317 160 GLN L CG 8621 C CD . GLN F 162 ? 0.7019 0.7593 0.7128 -0.0236 -0.1344 0.0254 160 GLN L CD 8622 O OE1 . GLN F 162 ? 0.8103 0.8669 0.7974 -0.0346 -0.1385 0.0211 160 GLN L OE1 8623 N NE2 . GLN F 162 ? 0.6616 0.7338 0.6945 -0.0236 -0.1364 0.0241 160 GLN L NE2 8624 N N . GLU F 163 ? 0.4566 0.4351 0.4720 -0.0021 -0.0883 0.0090 161 GLU L N 8625 C CA . GLU F 163 ? 0.4684 0.4336 0.4815 -0.0034 -0.0789 0.0009 161 GLU L CA 8626 C C . GLU F 163 ? 0.4929 0.4607 0.5093 -0.0083 -0.0775 -0.0089 161 GLU L C 8627 O O . GLU F 163 ? 0.4395 0.4181 0.4646 -0.0100 -0.0824 -0.0097 161 GLU L O 8628 C CB . GLU F 163 ? 0.5372 0.4938 0.5618 0.0031 -0.0730 0.0032 161 GLU L CB 8629 C CG . GLU F 163 ? 0.7942 0.7394 0.8123 0.0059 -0.0701 0.0101 161 GLU L CG 8630 C CD . GLU F 163 ? 0.9655 0.8990 0.9916 0.0095 -0.0633 0.0093 161 GLU L CD 8631 O OE1 . GLU F 163 ? 1.0199 0.9546 1.0542 0.0090 -0.0604 0.0028 161 GLU L OE1 8632 O OE2 . GLU F 163 ? 1.0757 0.9972 1.0980 0.0117 -0.0604 0.0152 161 GLU L OE2 8633 N N . SER F 164 ? 0.5886 0.5466 0.5993 -0.0102 -0.0703 -0.0155 162 SER L N 8634 C CA . SER F 164 ? 0.4482 0.4045 0.4616 -0.0136 -0.0672 -0.0236 162 SER L CA 8635 C C . SER F 164 ? 0.4462 0.3935 0.4610 -0.0111 -0.0589 -0.0261 162 SER L C 8636 O O . SER F 164 ? 0.4622 0.4052 0.4688 -0.0107 -0.0550 -0.0254 162 SER L O 8637 C CB . SER F 164 ? 0.4468 0.4026 0.4458 -0.0210 -0.0690 -0.0295 162 SER L CB 8638 O OG . SER F 164 ? 0.6039 0.5514 0.6023 -0.0237 -0.0632 -0.0375 162 SER L OG 8639 N N . VAL F 165 ? 0.4300 0.3766 0.4554 -0.0098 -0.0564 -0.0280 163 VAL L N 8640 C CA . VAL F 165 ? 0.5227 0.4645 0.5511 -0.0076 -0.0503 -0.0286 163 VAL L CA 8641 C C . VAL F 165 ? 0.3855 0.3230 0.4140 -0.0089 -0.0466 -0.0335 163 VAL L C 8642 O O . VAL F 165 ? 0.5187 0.4564 0.5494 -0.0120 -0.0486 -0.0365 163 VAL L O 8643 C CB . VAL F 165 ? 0.5601 0.5029 0.5979 -0.0053 -0.0500 -0.0258 163 VAL L CB 8644 C CG1 . VAL F 165 ? 0.6223 0.5630 0.6605 -0.0049 -0.0457 -0.0248 163 VAL L CG1 8645 C CG2 . VAL F 165 ? 0.4183 0.3619 0.4568 -0.0033 -0.0531 -0.0213 163 VAL L CG2 8646 N N . THR F 166 ? 0.3789 0.3125 0.4055 -0.0067 -0.0408 -0.0337 164 THR L N 8647 C CA . THR F 166 ? 0.4695 0.3966 0.4975 -0.0056 -0.0358 -0.0365 164 THR L CA 8648 C C . THR F 166 ? 0.4704 0.3994 0.5084 -0.0047 -0.0361 -0.0338 164 THR L C 8649 O O . THR F 166 ? 0.4550 0.3899 0.4977 -0.0044 -0.0388 -0.0305 164 THR L O 8650 C CB . THR F 166 ? 0.5047 0.4299 0.5314 -0.0011 -0.0287 -0.0352 164 THR L CB 8651 O OG1 . THR F 166 ? 0.6374 0.5721 0.6718 0.0011 -0.0293 -0.0291 164 THR L OG1 8652 C CG2 . THR F 166 ? 0.5234 0.4461 0.5383 -0.0024 -0.0263 -0.0383 164 THR L CG2 8653 N N . GLU F 167 ? 0.5672 0.4888 0.6064 -0.0045 -0.0326 -0.0354 165 GLU L N 8654 C CA . GLU F 167 ? 0.5196 0.4425 0.5659 -0.0031 -0.0318 -0.0313 165 GLU L CA 8655 C C . GLU F 167 ? 0.5468 0.4753 0.5966 0.0018 -0.0297 -0.0254 165 GLU L C 8656 O O . GLU F 167 ? 0.5845 0.5149 0.6330 0.0047 -0.0272 -0.0248 165 GLU L O 8657 C CB . GLU F 167 ? 0.5081 0.4201 0.5541 -0.0045 -0.0280 -0.0331 165 GLU L CB 8658 C CG . GLU F 167 ? 0.7746 0.6853 0.8201 -0.0117 -0.0309 -0.0378 165 GLU L CG 8659 C CD . GLU F 167 ? 1.1015 1.0215 1.1547 -0.0136 -0.0337 -0.0351 165 GLU L CD 8660 O OE1 . GLU F 167 ? 1.1090 1.0384 1.1648 -0.0122 -0.0371 -0.0338 165 GLU L OE1 8661 O OE2 . GLU F 167 ? 1.2566 1.1727 1.3124 -0.0164 -0.0314 -0.0344 165 GLU L OE2 8662 N N . GLN F 168 ? 0.6225 0.5556 0.6768 0.0020 -0.0307 -0.0206 166 GLN L N 8663 C CA . GLN F 168 ? 0.5799 0.5224 0.6384 0.0050 -0.0305 -0.0139 166 GLN L CA 8664 C C . GLN F 168 ? 0.5018 0.4415 0.5640 0.0121 -0.0248 -0.0105 166 GLN L C 8665 O O . GLN F 168 ? 0.5372 0.4652 0.5990 0.0145 -0.0208 -0.0108 166 GLN L O 8666 C CB . GLN F 168 ? 0.5868 0.5345 0.6464 0.0026 -0.0331 -0.0093 166 GLN L CB 8667 C CG . GLN F 168 ? 0.5283 0.4898 0.5905 0.0020 -0.0358 -0.0030 166 GLN L CG 8668 C CD . GLN F 168 ? 0.6042 0.5699 0.6625 -0.0035 -0.0391 -0.0006 166 GLN L CD 8669 O OE1 . GLN F 168 ? 0.6572 0.6169 0.7134 -0.0036 -0.0379 0.0000 166 GLN L OE1 8670 N NE2 . GLN F 168 ? 0.3966 0.3716 0.4519 -0.0093 -0.0427 0.0002 166 GLN L NE2 8671 N N . ASP F 169 ? 0.4956 0.4452 0.5619 0.0154 -0.0234 -0.0072 167 ASP L N 8672 C CA . ASP F 169 ? 0.4416 0.3899 0.5136 0.0240 -0.0161 -0.0036 167 ASP L CA 8673 C C . ASP F 169 ? 0.5000 0.4524 0.5805 0.0295 -0.0156 0.0061 167 ASP L C 8674 O O . ASP F 169 ? 0.6743 0.6429 0.7597 0.0273 -0.0215 0.0133 167 ASP L O 8675 C CB . ASP F 169 ? 0.4099 0.3726 0.4867 0.0257 -0.0145 -0.0012 167 ASP L CB 8676 C CG . ASP F 169 ? 0.6490 0.6078 0.7298 0.0350 -0.0043 -0.0005 167 ASP L CG 8677 O OD1 . ASP F 169 ? 0.7938 0.7419 0.8650 0.0340 0.0005 -0.0084 167 ASP L OD1 8678 O OD2 . ASP F 169 ? 0.7825 0.7491 0.8756 0.0435 -0.0007 0.0084 167 ASP L OD2 8679 N N . SER F 170 ? 0.5124 0.4490 0.5930 0.0360 -0.0086 0.0066 168 SER L N 8680 C CA . SER F 170 ? 0.5946 0.5330 0.6830 0.0426 -0.0076 0.0177 168 SER L CA 8681 C C . SER F 170 ? 0.5405 0.5007 0.6436 0.0509 -0.0072 0.0295 168 SER L C 8682 O O . SER F 170 ? 0.6875 0.6600 0.7978 0.0537 -0.0113 0.0413 168 SER L O 8683 C CB . SER F 170 ? 0.6145 0.5270 0.6995 0.0482 0.0017 0.0159 168 SER L CB 8684 O OG . SER F 170 ? 0.6827 0.5865 0.7688 0.0559 0.0117 0.0123 168 SER L OG 8685 N N . LYS F 171 ? 0.5360 0.5036 0.6437 0.0543 -0.0028 0.0272 169 LYS L N 8686 C CA . LYS F 171 ? 0.6151 0.6066 0.7401 0.0627 -0.0011 0.0389 169 LYS L CA 8687 C C . LYS F 171 ? 0.6127 0.6324 0.7424 0.0535 -0.0124 0.0442 169 LYS L C 8688 O O . LYS F 171 ? 0.5286 0.5699 0.6704 0.0561 -0.0173 0.0572 169 LYS L O 8689 C CB . LYS F 171 ? 0.7410 0.7298 0.8689 0.0692 0.0098 0.0340 169 LYS L CB 8690 C CG . LYS F 171 ? 0.9291 0.9476 1.0770 0.0763 0.0119 0.0452 169 LYS L CG 8691 C CD . LYS F 171 ? 0.9370 0.9533 1.0838 0.0791 0.0226 0.0380 169 LYS L CD 8692 C CE . LYS F 171 ? 0.8329 0.8804 1.0025 0.0871 0.0269 0.0496 169 LYS L CE 8693 N N . ASP F 172 ? 0.5250 0.5446 0.6445 0.0421 -0.0168 0.0349 170 ASP L N 8694 C CA . ASP F 172 ? 0.4429 0.4849 0.5646 0.0318 -0.0259 0.0383 170 ASP L CA 8695 C C . ASP F 172 ? 0.4704 0.5027 0.5765 0.0193 -0.0331 0.0304 170 ASP L C 8696 O O . ASP F 172 ? 0.3975 0.4425 0.5014 0.0091 -0.0395 0.0309 170 ASP L O 8697 C CB . ASP F 172 ? 0.4383 0.4935 0.5658 0.0303 -0.0226 0.0372 170 ASP L CB 8698 C CG . ASP F 172 ? 0.6844 0.7192 0.7984 0.0277 -0.0178 0.0248 170 ASP L CG 8699 O OD1 . ASP F 172 ? 0.6998 0.7170 0.8000 0.0219 -0.0212 0.0168 170 ASP L OD1 8700 O OD2 . ASP F 172 ? 0.8436 0.8822 0.9613 0.0313 -0.0105 0.0239 170 ASP L OD2 8701 N N . SER F 173 ? 0.3160 0.3260 0.4116 0.0193 -0.0315 0.0231 171 SER L N 8702 C CA . SER F 173 ? 0.3698 0.3708 0.4532 0.0099 -0.0365 0.0167 171 SER L CA 8703 C C . SER F 173 ? 0.3985 0.3961 0.4747 0.0026 -0.0379 0.0088 171 SER L C 8704 O O . SER F 173 ? 0.3683 0.3632 0.4366 -0.0053 -0.0418 0.0053 171 SER L O 8705 C CB . SER F 173 ? 0.3490 0.3623 0.4310 0.0041 -0.0432 0.0233 171 SER L CB 8706 O OG . SER F 173 ? 0.5075 0.5201 0.5933 0.0105 -0.0424 0.0311 171 SER L OG 8707 N N . THR F 174 ? 0.3883 0.3844 0.4659 0.0055 -0.0337 0.0060 172 THR L N 8708 C CA . THR F 174 ? 0.4042 0.3953 0.4741 -0.0007 -0.0347 0.0002 172 THR L CA 8709 C C . THR F 174 ? 0.3876 0.3616 0.4497 0.0011 -0.0328 -0.0073 172 THR L C 8710 O O . THR F 174 ? 0.2999 0.2653 0.3619 0.0058 -0.0300 -0.0092 172 THR L O 8711 C CB . THR F 174 ? 0.4599 0.4628 0.5347 -0.0009 -0.0320 0.0031 172 THR L CB 8712 O OG1 . THR F 174 ? 0.4572 0.4574 0.5356 0.0079 -0.0248 0.0029 172 THR L OG1 8713 C CG2 . THR F 174 ? 0.3847 0.4095 0.4695 -0.0043 -0.0352 0.0114 172 THR L CG2 8714 N N . TYR F 175 ? 0.3642 0.3332 0.4194 -0.0035 -0.0346 -0.0109 173 TYR L N 8715 C CA . TYR F 175 ? 0.3407 0.2984 0.3891 -0.0026 -0.0344 -0.0163 173 TYR L CA 8716 C C . TYR F 175 ? 0.4713 0.4293 0.5148 -0.0030 -0.0323 -0.0165 173 TYR L C 8717 O O . TYR F 175 ? 0.4541 0.4198 0.4992 -0.0054 -0.0313 -0.0129 173 TYR L O 8718 C CB . TYR F 175 ? 0.2871 0.2387 0.3321 -0.0060 -0.0383 -0.0186 173 TYR L CB 8719 C CG . TYR F 175 ? 0.3750 0.3259 0.4228 -0.0067 -0.0394 -0.0189 173 TYR L CG 8720 C CD1 . TYR F 175 ? 0.3518 0.2980 0.4009 -0.0050 -0.0391 -0.0215 173 TYR L CD1 8721 C CD2 . TYR F 175 ? 0.2840 0.2390 0.3315 -0.0108 -0.0405 -0.0168 173 TYR L CD2 8722 C CE1 . TYR F 175 ? 0.3526 0.2983 0.4035 -0.0062 -0.0391 -0.0213 173 TYR L CE1 8723 C CE2 . TYR F 175 ? 0.3876 0.3416 0.4348 -0.0123 -0.0409 -0.0172 173 TYR L CE2 8724 C CZ . TYR F 175 ? 0.4259 0.3754 0.4751 -0.0095 -0.0397 -0.0191 173 TYR L CZ 8725 O OH . TYR F 175 ? 0.5657 0.5145 0.6137 -0.0115 -0.0391 -0.0189 173 TYR L OH 8726 N N . SER F 176 ? 0.2998 0.2500 0.3361 -0.0019 -0.0317 -0.0206 174 SER L N 8727 C CA . SER F 176 ? 0.4415 0.3904 0.4691 -0.0034 -0.0307 -0.0207 174 SER L CA 8728 C C . SER F 176 ? 0.4126 0.3553 0.4331 -0.0053 -0.0361 -0.0228 174 SER L C 8729 O O . SER F 176 ? 0.4873 0.4274 0.5099 -0.0050 -0.0388 -0.0257 174 SER L O 8730 C CB . SER F 176 ? 0.3167 0.2650 0.3405 -0.0004 -0.0236 -0.0229 174 SER L CB 8731 O OG . SER F 176 ? 0.4764 0.4345 0.5105 0.0028 -0.0186 -0.0188 174 SER L OG 8732 N N . LEU F 177 ? 0.4038 0.3458 0.4170 -0.0073 -0.0376 -0.0200 175 LEU L N 8733 C CA . LEU F 177 ? 0.5030 0.4423 0.5115 -0.0080 -0.0436 -0.0189 175 LEU L CA 8734 C C . LEU F 177 ? 0.5347 0.4732 0.5297 -0.0099 -0.0436 -0.0170 175 LEU L C 8735 O O . LEU F 177 ? 0.5181 0.4570 0.5089 -0.0112 -0.0392 -0.0143 175 LEU L O 8736 C CB . LEU F 177 ? 0.6296 0.5664 0.6437 -0.0074 -0.0461 -0.0146 175 LEU L CB 8737 C CG . LEU F 177 ? 0.6468 0.5818 0.6608 -0.0053 -0.0514 -0.0110 175 LEU L CG 8738 C CD1 . LEU F 177 ? 0.3191 0.2497 0.3419 -0.0032 -0.0507 -0.0101 175 LEU L CD1 8739 C CD2 . LEU F 177 ? 0.6267 0.5585 0.6306 -0.0059 -0.0526 -0.0048 175 LEU L CD2 8740 N N . SER F 178 ? 0.5481 0.4871 0.5360 -0.0112 -0.0488 -0.0181 176 SER L N 8741 C CA . SER F 178 ? 0.6032 0.5422 0.5755 -0.0140 -0.0507 -0.0153 176 SER L CA 8742 C C . SER F 178 ? 0.5311 0.4737 0.5045 -0.0131 -0.0598 -0.0088 176 SER L C 8743 O O . SER F 178 ? 0.6011 0.5486 0.5832 -0.0123 -0.0650 -0.0101 176 SER L O 8744 C CB . SER F 178 ? 0.6167 0.5543 0.5757 -0.0179 -0.0486 -0.0228 176 SER L CB 8745 O OG . SER F 178 ? 0.8420 0.7821 0.8033 -0.0202 -0.0550 -0.0265 176 SER L OG 8746 N N . SER F 179 ? 0.5369 0.4776 0.5026 -0.0128 -0.0613 -0.0006 177 SER L N 8747 C CA . SER F 179 ? 0.5274 0.4721 0.4932 -0.0105 -0.0698 0.0083 177 SER L CA 8748 C C . SER F 179 ? 0.5344 0.4823 0.4801 -0.0151 -0.0736 0.0120 177 SER L C 8749 O O . SER F 179 ? 0.6665 0.6090 0.5986 -0.0183 -0.0675 0.0118 177 SER L O 8750 C CB . SER F 179 ? 0.4088 0.3454 0.3820 -0.0053 -0.0681 0.0167 177 SER L CB 8751 O OG . SER F 179 ? 0.5620 0.5027 0.5390 -0.0003 -0.0755 0.0264 177 SER L OG 8752 N N . THR F 180 ? 0.5427 0.5012 0.4862 -0.0162 -0.0835 0.0154 178 THR L N 8753 C CA . THR F 180 ? 0.5629 0.5265 0.4848 -0.0222 -0.0891 0.0192 178 THR L CA 8754 C C . THR F 180 ? 0.6737 0.6450 0.5985 -0.0173 -0.0989 0.0348 178 THR L C 8755 O O . THR F 180 ? 0.7403 0.7238 0.6807 -0.0135 -0.1069 0.0389 178 THR L O 8756 C CB . THR F 180 ? 0.5099 0.4809 0.4226 -0.0307 -0.0932 0.0091 178 THR L CB 8757 O OG1 . THR F 180 ? 0.6677 0.6280 0.5766 -0.0334 -0.0821 -0.0041 178 THR L OG1 8758 C CG2 . THR F 180 ? 0.5334 0.5104 0.4204 -0.0387 -0.1000 0.0127 178 THR L CG2 8759 N N . LEU F 181 ? 0.5997 0.5642 0.5108 -0.0168 -0.0975 0.0446 179 LEU L N 8760 C CA . LEU F 181 ? 0.5737 0.5445 0.4832 -0.0123 -0.1069 0.0614 179 LEU L CA 8761 C C . LEU F 181 ? 0.5530 0.5377 0.4402 -0.0213 -0.1166 0.0634 179 LEU L C 8762 O O . LEU F 181 ? 0.5655 0.5444 0.4286 -0.0300 -0.1117 0.0573 179 LEU L O 8763 C CB . LEU F 181 ? 0.5309 0.4852 0.4344 -0.0084 -0.1002 0.0720 179 LEU L CB 8764 C CG . LEU F 181 ? 0.5895 0.5455 0.4902 -0.0020 -0.1082 0.0920 179 LEU L CG 8765 C CD1 . LEU F 181 ? 0.5654 0.5211 0.4930 0.0109 -0.1101 0.0998 179 LEU L CD1 8766 C CD2 . LEU F 181 ? 0.5942 0.5329 0.4777 -0.0039 -0.1010 0.1005 179 LEU L CD2 8767 N N . THR F 182 ? 0.6253 0.6293 0.5201 -0.0198 -0.1301 0.0716 180 THR L N 8768 C CA . THR F 182 ? 0.7166 0.7374 0.5907 -0.0308 -0.1418 0.0726 180 THR L CA 8769 C C . THR F 182 ? 0.6818 0.7136 0.5500 -0.0265 -0.1531 0.0943 180 THR L C 8770 O O . THR F 182 ? 0.7061 0.7469 0.5981 -0.0145 -0.1589 0.1080 180 THR L O 8771 C CB . THR F 182 ? 0.7756 0.8147 0.6625 -0.0360 -0.1500 0.0642 180 THR L CB 8772 O OG1 . THR F 182 ? 0.8981 0.9243 0.7902 -0.0390 -0.1386 0.0457 180 THR L OG1 8773 C CG2 . THR F 182 ? 0.7316 0.7869 0.5933 -0.0509 -0.1619 0.0630 180 THR L CG2 8774 N N . LEU F 183 ? 0.6506 0.6814 0.4868 -0.0356 -0.1555 0.0978 181 LEU L N 8775 C CA . LEU F 183 ? 0.6174 0.6576 0.4422 -0.0329 -0.1663 0.1196 181 LEU L CA 8776 C C . LEU F 183 ? 0.7036 0.7592 0.4957 -0.0490 -0.1770 0.1179 181 LEU L C 8777 O O . LEU F 183 ? 0.7074 0.7559 0.4785 -0.0619 -0.1705 0.0991 181 LEU L O 8778 C CB . LEU F 183 ? 0.6091 0.6261 0.4228 -0.0276 -0.1555 0.1291 181 LEU L CB 8779 C CG . LEU F 183 ? 0.8340 0.8305 0.6731 -0.0153 -0.1427 0.1284 181 LEU L CG 8780 C CD1 . LEU F 183 ? 0.7768 0.7494 0.5990 -0.0174 -0.1294 0.1298 181 LEU L CD1 8781 C CD2 . LEU F 183 ? 0.8035 0.8053 0.6686 0.0002 -0.1495 0.1465 181 LEU L CD2 8782 N N . SER F 184 ? 0.7332 0.8097 0.5204 -0.0482 -0.1933 0.1378 182 SER L N 8783 C CA . SER F 184 ? 0.7852 0.8747 0.5350 -0.0645 -0.2038 0.1391 182 SER L CA 8784 C C . SER F 184 ? 0.8618 0.9286 0.5776 -0.0693 -0.1920 0.1391 182 SER L C 8785 O O . SER F 184 ? 0.8291 0.8754 0.5530 -0.0585 -0.1802 0.1458 182 SER L O 8786 C CB . SER F 184 ? 0.8465 0.9668 0.6008 -0.0615 -0.2252 0.1638 182 SER L CB 8787 O OG . SER F 184 ? 0.8387 0.9501 0.5972 -0.0468 -0.2241 0.1872 182 SER L OG 8788 N N . LYS F 185 ? 0.7343 0.8040 0.4104 -0.0870 -0.1944 0.1309 183 LYS L N 8789 C CA . LYS F 185 ? 0.8984 0.9490 0.5407 -0.0922 -0.1826 0.1319 183 LYS L CA 8790 C C . LYS F 185 ? 0.9688 1.0207 0.6091 -0.0826 -0.1888 0.1604 183 LYS L C 8791 O O . LYS F 185 ? 0.8727 0.9028 0.5075 -0.0777 -0.1751 0.1653 183 LYS L O 8792 C CB . LYS F 185 ? 0.8680 0.9224 0.4650 -0.1131 -0.1845 0.1192 183 LYS L CB 8793 C CG . LYS F 185 ? 0.8868 0.9204 0.4481 -0.1191 -0.1686 0.1169 183 LYS L CG 8794 C CD . LYS F 185 ? 1.0156 1.0547 0.5272 -0.1398 -0.1727 0.1089 183 LYS L CD 8795 C CE . LYS F 185 ? 1.0810 1.1026 0.5565 -0.1451 -0.1575 0.1104 183 LYS L CE 8796 N N . ALA F 186 ? 1.0437 1.1213 0.6900 -0.0797 -0.2093 0.1804 184 ALA L N 8797 C CA . ALA F 186 ? 1.0396 1.1178 0.6875 -0.0680 -0.2157 0.2100 184 ALA L CA 8798 C C . ALA F 186 ? 1.0561 1.1108 0.7372 -0.0491 -0.2021 0.2156 184 ALA L C 8799 O O . ALA F 186 ? 0.9470 0.9789 0.6167 -0.0457 -0.1909 0.2246 184 ALA L O 8800 C CB . ALA F 186 ? 0.9856 1.0994 0.6450 -0.0646 -0.2401 0.2307 184 ALA L CB 8801 N N . ASP F 187 ? 1.0969 1.1560 0.8178 -0.0383 -0.2020 0.2095 185 ASP L N 8802 C CA . ASP F 187 ? 1.0538 1.0902 0.8046 -0.0213 -0.1895 0.2141 185 ASP L CA 8803 C C . ASP F 187 ? 1.0015 1.0074 0.7418 -0.0260 -0.1686 0.1984 185 ASP L C 8804 O O . ASP F 187 ? 0.9682 0.9509 0.7160 -0.0173 -0.1581 0.2073 185 ASP L O 8805 C CB . ASP F 187 ? 0.9209 0.9681 0.7125 -0.0112 -0.1918 0.2069 185 ASP L CB 8806 N N . TYR F 188 ? 0.9361 0.9415 0.6586 -0.0402 -0.1619 0.1757 186 TYR L N 8807 C CA . TYR F 188 ? 0.8849 0.8665 0.6008 -0.0443 -0.1421 0.1607 186 TYR L CA 8808 C C . TYR F 188 ? 0.9514 0.9198 0.6360 -0.0503 -0.1350 0.1715 186 TYR L C 8809 O O . TYR F 188 ? 0.9967 0.9446 0.6842 -0.0489 -0.1196 0.1696 186 TYR L O 8810 C CB . TYR F 188 ? 0.8008 0.7862 0.5091 -0.0555 -0.1363 0.1346 186 TYR L CB 8811 C CG . TYR F 188 ? 0.7252 0.6916 0.4239 -0.0605 -0.1164 0.1202 186 TYR L CG 8812 C CD1 . TYR F 188 ? 0.7424 0.6957 0.4681 -0.0532 -0.1043 0.1126 186 TYR L CD1 8813 C CD2 . TYR F 188 ? 0.7356 0.6994 0.3987 -0.0729 -0.1095 0.1143 186 TYR L CD2 8814 C CE1 . TYR F 188 ? 0.7485 0.6895 0.4687 -0.0576 -0.0870 0.1010 186 TYR L CE1 8815 C CE2 . TYR F 188 ? 0.7586 0.7084 0.4163 -0.0763 -0.0904 0.1021 186 TYR L CE2 8816 C CZ . TYR F 188 ? 0.7528 0.6929 0.4407 -0.0684 -0.0798 0.0962 186 TYR L CZ 8817 O OH . TYR F 188 ? 0.7780 0.7091 0.4634 -0.0717 -0.0618 0.0857 186 TYR L OH 8818 N N . GLU F 189 ? 0.9724 0.9533 0.6263 -0.0580 -0.1460 0.1832 187 GLU L N 8819 C CA . GLU F 189 ? 1.0429 1.0115 0.6652 -0.0640 -0.1392 0.1953 187 GLU L CA 8820 C C . GLU F 189 ? 1.0942 1.0509 0.7262 -0.0518 -0.1413 0.2221 187 GLU L C 8821 O O . GLU F 189 ? 1.1215 1.0643 0.7300 -0.0561 -0.1340 0.2337 187 GLU L O 8822 C CB . GLU F 189 ? 1.0876 1.0728 0.6687 -0.0783 -0.1498 0.1981 187 GLU L CB 8823 C CG . GLU F 189 ? 1.2277 1.2196 0.7916 -0.0924 -0.1458 0.1711 187 GLU L CG 8824 C CD . GLU F 189 ? 1.4473 1.4196 1.0005 -0.0982 -0.1224 0.1529 187 GLU L CD 8825 O OE1 . GLU F 189 ? 1.5282 1.5017 1.0635 -0.1090 -0.1160 0.1316 187 GLU L OE1 8826 O OE2 . GLU F 189 ? 1.4897 1.4455 1.0528 -0.0921 -0.1098 0.1600 187 GLU L OE2 8827 N N . LYS F 190 ? 1.0743 1.0345 0.7398 -0.0366 -0.1497 0.2324 188 LYS L N 8828 C CA . LYS F 190 ? 1.0205 0.9660 0.6961 -0.0233 -0.1505 0.2581 188 LYS L CA 8829 C C . LYS F 190 ? 1.0516 0.9652 0.7435 -0.0183 -0.1318 0.2535 188 LYS L C 8830 O O . LYS F 190 ? 1.2273 1.1211 0.9220 -0.0097 -0.1287 0.2733 188 LYS L O 8831 C CB . LYS F 190 ? 1.0332 0.9958 0.7389 -0.0076 -0.1660 0.2720 188 LYS L CB 8832 C CG . LYS F 190 ? 1.1733 1.1712 0.8667 -0.0118 -0.1877 0.2821 188 LYS L CG 8833 C CD . LYS F 190 ? 1.2220 1.2410 0.9539 0.0037 -0.2005 0.2910 188 LYS L CD 8834 C CE . LYS F 190 ? 1.2988 1.3586 1.0223 -0.0033 -0.2230 0.2979 188 LYS L CE 8835 N NZ . LYS F 190 ? 1.3297 1.4145 1.0943 0.0086 -0.2334 0.2997 188 LYS L NZ 8836 N N . HIS F 191 ? 1.0113 0.9193 0.7135 -0.0238 -0.1195 0.2288 189 HIS L N 8837 C CA . HIS F 191 ? 0.9004 0.7826 0.6211 -0.0204 -0.1037 0.2228 189 HIS L CA 8838 C C . HIS F 191 ? 0.8703 0.7473 0.5782 -0.0342 -0.0886 0.2043 189 HIS L C 8839 O O . HIS F 191 ? 0.9555 0.8484 0.6476 -0.0436 -0.0892 0.1909 189 HIS L O 8840 C CB . HIS F 191 ? 0.7793 0.6628 0.5366 -0.0094 -0.1048 0.2126 189 HIS L CB 8841 C CG . HIS F 191 ? 1.0291 0.9221 0.8037 0.0054 -0.1184 0.2294 189 HIS L CG 8842 N ND1 . HIS F 191 ? 1.1685 1.0907 0.9524 0.0076 -0.1327 0.2260 189 HIS L ND1 8843 C CD2 . HIS F 191 ? 1.0053 0.8829 0.7905 0.0191 -0.1193 0.2506 189 HIS L CD2 8844 C CE1 . HIS F 191 ? 1.1115 1.0398 0.9134 0.0225 -0.1423 0.2448 189 HIS L CE1 8845 N NE2 . HIS F 191 ? 1.1077 1.0081 0.9107 0.0307 -0.1339 0.2602 189 HIS L NE2 8846 N N . LYS F 192 ? 0.8261 0.6806 0.5419 -0.0354 -0.0745 0.2035 190 LYS L N 8847 C CA . LYS F 192 ? 0.8622 0.7125 0.5668 -0.0482 -0.0592 0.1913 190 LYS L CA 8848 C C . LYS F 192 ? 0.8470 0.6966 0.5773 -0.0489 -0.0500 0.1709 190 LYS L C 8849 O O . LYS F 192 ? 0.8316 0.6929 0.5585 -0.0562 -0.0431 0.1546 190 LYS L O 8850 C CB . LYS F 192 ? 0.8322 0.6605 0.5222 -0.0532 -0.0497 0.2078 190 LYS L CB 8851 C CG . LYS F 192 ? 0.9345 0.7610 0.6143 -0.0672 -0.0331 0.1981 190 LYS L CG 8852 C CD . LYS F 192 ? 0.9570 0.8020 0.6089 -0.0762 -0.0318 0.1919 190 LYS L CD 8853 N N . VAL F 193 ? 0.7411 0.5768 0.4961 -0.0411 -0.0492 0.1715 191 VAL L N 8854 C CA . VAL F 193 ? 0.7880 0.6211 0.5650 -0.0433 -0.0404 0.1546 191 VAL L CA 8855 C C . VAL F 193 ? 0.7645 0.6085 0.5638 -0.0338 -0.0488 0.1439 191 VAL L C 8856 O O . VAL F 193 ? 0.7870 0.6242 0.5987 -0.0231 -0.0556 0.1521 191 VAL L O 8857 C CB . VAL F 193 ? 0.7632 0.5703 0.5484 -0.0450 -0.0313 0.1609 191 VAL L CB 8858 C CG1 . VAL F 193 ? 0.7253 0.5328 0.5331 -0.0477 -0.0248 0.1436 191 VAL L CG1 8859 C CG2 . VAL F 193 ? 0.7332 0.5307 0.4974 -0.0567 -0.0216 0.1704 191 VAL L CG2 8860 N N . TYR F 194 ? 0.7009 0.5611 0.5062 -0.0374 -0.0469 0.1261 192 TYR L N 8861 C CA . TYR F 194 ? 0.6753 0.5455 0.5015 -0.0306 -0.0527 0.1142 192 TYR L CA 8862 C C . TYR F 194 ? 0.5611 0.4275 0.4054 -0.0334 -0.0433 0.1010 192 TYR L C 8863 O O . TYR F 194 ? 0.6641 0.5351 0.5042 -0.0416 -0.0342 0.0937 192 TYR L O 8864 C CB . TYR F 194 ? 0.5784 0.4689 0.3957 -0.0328 -0.0588 0.1047 192 TYR L CB 8865 C CG . TYR F 194 ? 0.6355 0.5339 0.4370 -0.0307 -0.0713 0.1174 192 TYR L CG 8866 C CD1 . TYR F 194 ? 0.6418 0.5405 0.4149 -0.0377 -0.0709 0.1266 192 TYR L CD1 8867 C CD2 . TYR F 194 ? 0.7844 0.6921 0.6000 -0.0222 -0.0837 0.1213 192 TYR L CD2 8868 C CE1 . TYR F 194 ? 0.8241 0.7322 0.5815 -0.0366 -0.0839 0.1397 192 TYR L CE1 8869 C CE2 . TYR F 194 ? 0.7176 0.6370 0.5210 -0.0205 -0.0967 0.1346 192 TYR L CE2 8870 C CZ . TYR F 194 ? 0.7857 0.7052 0.5593 -0.0280 -0.0974 0.1440 192 TYR L CZ 8871 O OH . TYR F 194 ? 0.8251 0.7585 0.5854 -0.0272 -0.1118 0.1584 192 TYR L OH 8872 N N . ALA F 195 ? 0.6165 0.4760 0.4809 -0.0266 -0.0453 0.0985 193 ALA L N 8873 C CA . ALA F 195 ? 0.6372 0.4912 0.5170 -0.0300 -0.0376 0.0883 193 ALA L CA 8874 C C . ALA F 195 ? 0.7298 0.5891 0.6289 -0.0225 -0.0423 0.0790 193 ALA L C 8875 O O . ALA F 195 ? 0.6853 0.5436 0.5902 -0.0133 -0.0495 0.0844 193 ALA L O 8876 C CB . ALA F 195 ? 0.5478 0.3776 0.4270 -0.0329 -0.0311 0.0967 193 ALA L CB 8877 N N . CYS F 196 ? 0.6745 0.5413 0.5844 -0.0264 -0.0380 0.0661 194 CYS L N 8878 C CA A CYS F 196 ? 0.6475 0.5184 0.5748 -0.0212 -0.0407 0.0568 194 CYS L CA 8879 C CA B CYS F 196 ? 0.6530 0.5233 0.5803 -0.0210 -0.0408 0.0572 194 CYS L CA 8880 C C . CYS F 196 ? 0.7156 0.5758 0.6519 -0.0261 -0.0341 0.0522 194 CYS L C 8881 O O . CYS F 196 ? 0.7526 0.6183 0.6885 -0.0347 -0.0284 0.0480 194 CYS L O 8882 C CB A CYS F 196 ? 0.6063 0.4963 0.5363 -0.0218 -0.0424 0.0461 194 CYS L CB 8883 C CB B CYS F 196 ? 0.6245 0.5139 0.5557 -0.0204 -0.0436 0.0466 194 CYS L CB 8884 S SG A CYS F 196 ? 0.8395 0.7358 0.7890 -0.0190 -0.0426 0.0339 194 CYS L SG 8885 S SG B CYS F 196 ? 0.5037 0.4054 0.4351 -0.0279 -0.0354 0.0365 194 CYS L SG 8886 N N . GLU F 197 ? 0.6882 0.5340 0.6321 -0.0211 -0.0344 0.0530 195 GLU L N 8887 C CA . GLU F 197 ? 0.6971 0.5297 0.6459 -0.0271 -0.0283 0.0477 195 GLU L CA 8888 C C . GLU F 197 ? 0.6121 0.4544 0.5741 -0.0245 -0.0301 0.0367 195 GLU L C 8889 O O . GLU F 197 ? 0.6509 0.4962 0.6200 -0.0148 -0.0344 0.0362 195 GLU L O 8890 C CB . GLU F 197 ? 0.7776 0.5822 0.7226 -0.0240 -0.0248 0.0552 195 GLU L CB 8891 C CG . GLU F 197 ? 1.1463 0.9328 1.0918 -0.0329 -0.0176 0.0484 195 GLU L CG 8892 C CD . GLU F 197 ? 1.3731 1.1291 1.3170 -0.0263 -0.0128 0.0524 195 GLU L CD 8893 O OE1 . GLU F 197 ? 1.3788 1.1333 1.3277 -0.0120 -0.0160 0.0595 195 GLU L OE1 8894 O OE2 . GLU F 197 ? 1.4551 1.1888 1.3930 -0.0358 -0.0055 0.0484 195 GLU L OE2 8895 N N . VAL F 198 ? 0.5714 0.4205 0.5371 -0.0334 -0.0271 0.0290 196 VAL L N 8896 C CA . VAL F 198 ? 0.4961 0.3570 0.4725 -0.0321 -0.0290 0.0196 196 VAL L CA 8897 C C . VAL F 198 ? 0.5262 0.3743 0.5033 -0.0392 -0.0251 0.0145 196 VAL L C 8898 O O . VAL F 198 ? 0.5377 0.3807 0.5098 -0.0507 -0.0214 0.0149 196 VAL L O 8899 C CB . VAL F 198 ? 0.5694 0.4530 0.5501 -0.0354 -0.0295 0.0158 196 VAL L CB 8900 C CG1 . VAL F 198 ? 0.4755 0.3691 0.4666 -0.0343 -0.0312 0.0079 196 VAL L CG1 8901 C CG2 . VAL F 198 ? 0.5810 0.4740 0.5574 -0.0295 -0.0322 0.0185 196 VAL L CG2 8902 N N . THR F 199 ? 0.6271 0.4705 0.6095 -0.0338 -0.0257 0.0094 197 THR L N 8903 C CA . THR F 199 ? 0.6306 0.4611 0.6107 -0.0408 -0.0217 0.0028 197 THR L CA 8904 C C . THR F 199 ? 0.5543 0.4027 0.5420 -0.0416 -0.0247 -0.0045 197 THR L C 8905 O O . THR F 199 ? 0.6624 0.5202 0.6577 -0.0320 -0.0276 -0.0055 197 THR L O 8906 C CB . THR F 199 ? 0.7241 0.5295 0.7016 -0.0334 -0.0171 0.0034 197 THR L CB 8907 O OG1 . THR F 199 ? 0.8360 0.6248 0.8071 -0.0306 -0.0147 0.0127 197 THR L OG1 8908 C CG2 . THR F 199 ? 0.6458 0.4330 0.6158 -0.0429 -0.0110 -0.0048 197 THR L CG2 8909 N N . HIS F 200 ? 0.5699 0.4240 0.5555 -0.0536 -0.0243 -0.0086 198 HIS L N 8910 C CA . HIS F 200 ? 0.5821 0.4538 0.5741 -0.0549 -0.0275 -0.0135 198 HIS L CA 8911 C C . HIS F 200 ? 0.5279 0.3975 0.5131 -0.0701 -0.0266 -0.0177 198 HIS L C 8912 O O . HIS F 200 ? 0.4797 0.3456 0.4596 -0.0811 -0.0250 -0.0159 198 HIS L O 8913 C CB . HIS F 200 ? 0.4768 0.3739 0.4785 -0.0515 -0.0315 -0.0103 198 HIS L CB 8914 C CG . HIS F 200 ? 0.4241 0.3374 0.4331 -0.0500 -0.0345 -0.0132 198 HIS L CG 8915 N ND1 . HIS F 200 ? 0.4091 0.3373 0.4206 -0.0591 -0.0365 -0.0133 198 HIS L ND1 8916 C CD2 . HIS F 200 ? 0.4553 0.3729 0.4698 -0.0410 -0.0362 -0.0151 198 HIS L CD2 8917 C CE1 . HIS F 200 ? 0.3891 0.3285 0.4065 -0.0545 -0.0391 -0.0143 198 HIS L CE1 8918 N NE2 . HIS F 200 ? 0.3836 0.3154 0.4024 -0.0440 -0.0384 -0.0159 198 HIS L NE2 8919 N N . GLN F 201 ? 0.4886 0.3614 0.4728 -0.0720 -0.0278 -0.0233 199 GLN L N 8920 C CA . GLN F 201 ? 0.5523 0.4224 0.5266 -0.0883 -0.0276 -0.0279 199 GLN L CA 8921 C C . GLN F 201 ? 0.6188 0.5149 0.5993 -0.0991 -0.0327 -0.0235 199 GLN L C 8922 O O . GLN F 201 ? 0.6201 0.5149 0.5923 -0.1157 -0.0332 -0.0258 199 GLN L O 8923 C CB . GLN F 201 ? 0.5064 0.3765 0.4764 -0.0886 -0.0281 -0.0340 199 GLN L CB 8924 C CG . GLN F 201 ? 0.6126 0.5095 0.5949 -0.0821 -0.0340 -0.0306 199 GLN L CG 8925 C CD . GLN F 201 ? 0.6136 0.5092 0.5893 -0.0838 -0.0340 -0.0358 199 GLN L CD 8926 O OE1 . GLN F 201 ? 0.6430 0.5339 0.6220 -0.0727 -0.0316 -0.0373 199 GLN L OE1 8927 N NE2 . GLN F 201 ? 0.5637 0.4640 0.5288 -0.0991 -0.0366 -0.0386 199 GLN L NE2 8928 N N . GLY F 202 ? 0.5231 0.4429 0.5181 -0.0906 -0.0360 -0.0174 200 GLY L N 8929 C CA . GLY F 202 ? 0.4529 0.3991 0.4569 -0.0988 -0.0393 -0.0121 200 GLY L CA 8930 C C . GLY F 202 ? 0.5769 0.5191 0.5786 -0.1074 -0.0359 -0.0087 200 GLY L C 8931 O O . GLY F 202 ? 0.5898 0.5558 0.6004 -0.1158 -0.0377 -0.0040 200 GLY L O 8932 N N . LEU F 203 ? 0.7289 0.6431 0.7203 -0.1053 -0.0308 -0.0100 201 LEU L N 8933 C CA . LEU F 203 ? 0.6704 0.5765 0.6575 -0.1128 -0.0267 -0.0058 201 LEU L CA 8934 C C . LEU F 203 ? 0.8306 0.7092 0.8016 -0.1278 -0.0232 -0.0105 201 LEU L C 8935 O O . LEU F 203 ? 0.8650 0.7172 0.8257 -0.1239 -0.0203 -0.0161 201 LEU L O 8936 C CB . LEU F 203 ? 0.5620 0.4555 0.5477 -0.0989 -0.0235 -0.0015 201 LEU L CB 8937 C CG . LEU F 203 ? 0.6343 0.5494 0.6315 -0.0852 -0.0257 0.0017 201 LEU L CG 8938 C CD1 . LEU F 203 ? 0.5461 0.4461 0.5381 -0.0727 -0.0242 0.0043 201 LEU L CD1 8939 C CD2 . LEU F 203 ? 0.5177 0.4581 0.5240 -0.0905 -0.0245 0.0068 201 LEU L CD2 8940 N N . ARG F 204 ? 0.8368 0.7211 0.8060 -0.1453 -0.0223 -0.0083 202 ARG L N 8941 C CA . ARG F 204 ? 0.8894 0.7449 0.8414 -0.1626 -0.0180 -0.0134 202 ARG L CA 8942 C C . ARG F 204 ? 1.1035 0.9189 1.0433 -0.1542 -0.0101 -0.0126 202 ARG L C 8943 O O . ARG F 204 ? 1.2321 1.0145 1.1571 -0.1577 -0.0051 -0.0194 202 ARG L O 8944 C CB . ARG F 204 ? 0.7087 0.5804 0.6631 -0.1833 -0.0184 -0.0097 202 ARG L CB 8945 N N . SER F 205 ? 1.0655 0.8830 1.0106 -0.1427 -0.0085 -0.0040 203 SER L N 8946 C CA . SER F 205 ? 1.1207 0.9063 1.0572 -0.1314 -0.0029 0.0001 203 SER L CA 8947 C C . SER F 205 ? 0.9364 0.7393 0.8832 -0.1126 -0.0063 0.0070 203 SER L C 8948 O O . SER F 205 ? 0.8915 0.7261 0.8494 -0.1118 -0.0102 0.0091 203 SER L O 8949 C CB . SER F 205 ? 1.1962 0.9593 1.1212 -0.1445 0.0036 0.0053 203 SER L CB 8950 O OG . SER F 205 ? 1.2353 1.0261 1.1678 -0.1533 0.0021 0.0115 203 SER L OG 8951 N N . PRO F 206 ? 0.7758 0.5591 0.7192 -0.0974 -0.0046 0.0106 204 PRO L N 8952 C CA . PRO F 206 ? 0.6809 0.4814 0.6323 -0.0815 -0.0090 0.0161 204 PRO L CA 8953 C C . PRO F 206 ? 0.6943 0.5107 0.6455 -0.0850 -0.0089 0.0236 204 PRO L C 8954 O O . PRO F 206 ? 0.8683 0.6754 0.8121 -0.0968 -0.0044 0.0280 204 PRO L O 8955 C CB . PRO F 206 ? 0.7555 0.5302 0.7021 -0.0681 -0.0069 0.0208 204 PRO L CB 8956 C CG . PRO F 206 ? 0.7878 0.5364 0.7286 -0.0724 -0.0015 0.0138 204 PRO L CG 8957 C CD . PRO F 206 ? 0.7649 0.5108 0.6983 -0.0934 0.0014 0.0095 204 PRO L CD 8958 N N . VAL F 207 ? 0.5952 0.4348 0.5538 -0.0754 -0.0131 0.0246 205 VAL L N 8959 C CA . VAL F 207 ? 0.6840 0.5424 0.6430 -0.0775 -0.0119 0.0296 205 VAL L CA 8960 C C . VAL F 207 ? 0.6341 0.4871 0.5854 -0.0662 -0.0135 0.0363 205 VAL L C 8961 O O . VAL F 207 ? 0.7563 0.6096 0.7104 -0.0545 -0.0183 0.0346 205 VAL L O 8962 C CB . VAL F 207 ? 0.7040 0.5930 0.6763 -0.0765 -0.0139 0.0244 205 VAL L CB 8963 C CG1 . VAL F 207 ? 0.5876 0.4939 0.5596 -0.0751 -0.0108 0.0286 205 VAL L CG1 8964 C CG2 . VAL F 207 ? 0.7592 0.6582 0.7389 -0.0893 -0.0135 0.0205 205 VAL L CG2 8965 N N . THR F 208 ? 0.6845 0.5343 0.6258 -0.0708 -0.0097 0.0444 206 THR L N 8966 C CA . THR F 208 ? 0.7548 0.6003 0.6853 -0.0624 -0.0117 0.0525 206 THR L CA 8967 C C . THR F 208 ? 0.7163 0.5824 0.6430 -0.0653 -0.0088 0.0536 206 THR L C 8968 O O . THR F 208 ? 0.8334 0.7039 0.7582 -0.0761 -0.0022 0.0562 206 THR L O 8969 C CB . THR F 208 ? 0.9174 0.7353 0.8353 -0.0645 -0.0088 0.0632 206 THR L CB 8970 O OG1 . THR F 208 ? 1.0237 0.8205 0.9451 -0.0587 -0.0101 0.0620 206 THR L OG1 8971 C CG2 . THR F 208 ? 0.9923 0.8098 0.8974 -0.0576 -0.0116 0.0739 206 THR L CG2 8972 N N . LYS F 209 ? 0.6934 0.5721 0.6189 -0.0566 -0.0127 0.0509 207 LYS L N 8973 C CA . LYS F 209 ? 0.6121 0.5046 0.5284 -0.0578 -0.0090 0.0519 207 LYS L CA 8974 C C . LYS F 209 ? 0.6756 0.5589 0.5736 -0.0535 -0.0131 0.0605 207 LYS L C 8975 O O . LYS F 209 ? 0.8134 0.6912 0.7116 -0.0453 -0.0213 0.0618 207 LYS L O 8976 C CB . LYS F 209 ? 0.6311 0.5425 0.5561 -0.0526 -0.0092 0.0417 207 LYS L CB 8977 C CG . LYS F 209 ? 0.7228 0.6482 0.6659 -0.0562 -0.0050 0.0356 207 LYS L CG 8978 C CD . LYS F 209 ? 0.7899 0.7243 0.7336 -0.0661 0.0040 0.0399 207 LYS L CD 8979 C CE . LYS F 209 ? 0.9230 0.8735 0.8869 -0.0710 0.0060 0.0362 207 LYS L CE 8980 N NZ . LYS F 209 ? 1.0192 0.9861 0.9880 -0.0802 0.0151 0.0403 207 LYS L NZ 8981 N N . SER F 210 ? 0.6407 0.5244 0.5231 -0.0594 -0.0076 0.0674 208 SER L N 8982 C CA . SER F 210 ? 0.7169 0.5922 0.5792 -0.0570 -0.0119 0.0779 208 SER L CA 8983 C C . SER F 210 ? 0.6862 0.5723 0.5309 -0.0624 -0.0053 0.0786 208 SER L C 8984 O O . SER F 210 ? 0.6860 0.5844 0.5360 -0.0674 0.0041 0.0720 208 SER L O 8985 C CB . SER F 210 ? 0.6243 0.4771 0.4806 -0.0592 -0.0115 0.0913 208 SER L CB 8986 O OG . SER F 210 ? 0.7425 0.5916 0.5977 -0.0709 -0.0013 0.0936 208 SER L OG 8987 N N . PHE F 211 ? 0.6445 0.5267 0.4680 -0.0609 -0.0103 0.0871 209 PHE L N 8988 C CA . PHE F 211 ? 0.7246 0.6130 0.5251 -0.0672 -0.0037 0.0895 209 PHE L CA 8989 C C . PHE F 211 ? 0.7905 0.6680 0.5683 -0.0673 -0.0104 0.1056 209 PHE L C 8990 O O . PHE F 211 ? 0.8040 0.6740 0.5854 -0.0599 -0.0217 0.1129 209 PHE L O 8991 C CB . PHE F 211 ? 0.6162 0.5195 0.4114 -0.0654 -0.0028 0.0761 209 PHE L CB 8992 C CG . PHE F 211 ? 0.6817 0.5863 0.4706 -0.0595 -0.0163 0.0748 209 PHE L CG 8993 C CD1 . PHE F 211 ? 0.6986 0.6060 0.5084 -0.0526 -0.0234 0.0669 209 PHE L CD1 8994 C CD2 . PHE F 211 ? 0.6490 0.5538 0.4108 -0.0621 -0.0222 0.0821 209 PHE L CD2 8995 C CE1 . PHE F 211 ? 0.7463 0.6577 0.5524 -0.0485 -0.0358 0.0661 209 PHE L CE1 8996 C CE2 . PHE F 211 ? 0.7058 0.6158 0.4632 -0.0584 -0.0360 0.0816 209 PHE L CE2 8997 C CZ . PHE F 211 ? 0.7218 0.6356 0.5024 -0.0517 -0.0425 0.0734 209 PHE L CZ 8998 N N . ASN F 212 ? 0.7816 0.6591 0.5368 -0.0753 -0.0027 0.1121 210 ASN L N 8999 C CA . ASN F 212 ? 0.7869 0.6568 0.5156 -0.0764 -0.0087 0.1282 210 ASN L CA 9000 C C . ASN F 212 ? 0.8476 0.7311 0.5534 -0.0778 -0.0124 0.1222 210 ASN L C 9001 O O . ASN F 212 ? 0.9188 0.8118 0.6171 -0.0832 -0.0015 0.1105 210 ASN L O 9002 C CB . ASN F 212 ? 0.8529 0.7125 0.5673 -0.0860 0.0025 0.1403 210 ASN L CB 9003 C CG . ASN F 212 ? 1.0455 0.8897 0.7802 -0.0879 0.0075 0.1447 210 ASN L CG 9004 O OD1 . ASN F 212 ? 1.1801 1.0141 0.9322 -0.0803 0.0000 0.1453 210 ASN L OD1 9005 N ND2 . ASN F 212 ? 1.1498 0.9920 0.8814 -0.0991 0.0209 0.1474 210 ASN L ND2 9006 N N . ARG F 213 ? 0.8359 0.7209 0.5312 -0.0732 -0.0275 0.1299 211 ARG L N 9007 C CA . ARG F 213 ? 0.8890 0.7866 0.5600 -0.0771 -0.0327 0.1237 211 ARG L CA 9008 C C . ARG F 213 ? 1.0707 0.9677 0.7081 -0.0878 -0.0222 0.1276 211 ARG L C 9009 O O . ARG F 213 ? 1.1890 1.0777 0.8102 -0.0906 -0.0230 0.1457 211 ARG L O 9010 C CB . ARG F 213 ? 0.8238 0.7262 0.4898 -0.0718 -0.0521 0.1351 211 ARG L CB 9011 C CG . ARG F 213 ? 0.8272 0.7429 0.4631 -0.0790 -0.0596 0.1306 211 ARG L CG 9012 C CD . ARG F 213 ? 0.8568 0.7815 0.4874 -0.0751 -0.0801 0.1465 211 ARG L CD 9013 N NE . ARG F 213 ? 0.8644 0.7788 0.4964 -0.0691 -0.0839 0.1708 211 ARG L NE 9014 C CZ . ARG F 213 ? 1.0289 0.9378 0.6315 -0.0750 -0.0823 0.1866 211 ARG L CZ 9015 N NH1 . ARG F 213 ? 1.2328 1.1469 0.8010 -0.0876 -0.0767 0.1800 211 ARG L NH1 9016 N NH2 . ARG F 213 ? 1.0321 0.9285 0.6385 -0.0682 -0.0852 0.2092 211 ARG L NH2 9017 N N . GLY F 214 ? 1.0767 0.9811 0.7037 -0.0933 -0.0109 0.1108 212 GLY L N 9018 C CA . GLY F 214 ? 1.1293 1.0336 0.7255 -0.1033 0.0026 0.1116 212 GLY L CA 9019 C C . GLY F 214 ? 1.1579 1.0648 0.7674 -0.1055 0.0237 0.1005 212 GLY L C 9020 O O . GLY F 214 ? 1.1625 1.0658 0.7918 -0.1055 0.0306 0.1073 212 GLY L O 9021 C C1 . NAG G . ? 0.7847 1.3177 1.2571 -0.1304 0.2435 0.0055 1001 NAG G C1 9022 C C2 . NAG G . ? 0.8571 1.4150 1.3439 -0.1596 0.2356 0.0206 1001 NAG G C2 9023 C C3 . NAG G . ? 0.8835 1.4899 1.4037 -0.1586 0.2532 0.0261 1001 NAG G C3 9024 C C4 . NAG G . ? 0.9819 1.5825 1.4700 -0.1568 0.2820 0.0185 1001 NAG G C4 9025 C C5 . NAG G . ? 0.9521 1.5337 1.4293 -0.1287 0.2908 -0.0004 1001 NAG G C5 9026 C C6 . NAG G . ? 0.9898 1.5609 1.4290 -0.1264 0.3186 -0.0112 1001 NAG G C6 9027 C C7 . NAG G . ? 0.8866 1.4341 1.3875 -0.1830 0.1882 0.0377 1001 NAG G C7 9028 C C8 . NAG G . ? 0.7275 1.2822 1.2555 -0.1775 0.1606 0.0420 1001 NAG G C8 9029 N N2 . NAG G . ? 0.8827 1.4463 1.3971 -0.1587 0.2083 0.0271 1001 NAG G N2 9030 O O3 . NAG G . ? 0.8489 1.4645 1.3784 -0.1857 0.2435 0.0406 1001 NAG G O3 9031 O O4 . NAG G . ? 1.0224 1.6707 1.5438 -0.1549 0.3009 0.0234 1001 NAG G O4 9032 O O5 . NAG G . ? 0.8802 1.4130 1.3275 -0.1307 0.2715 -0.0036 1001 NAG G O5 9033 O O6 . NAG G . ? 1.0238 1.5488 1.4045 -0.1464 0.3157 -0.0116 1001 NAG G O6 9034 O O7 . NAG G . ? 1.0404 1.5643 1.5063 -0.2071 0.1903 0.0437 1001 NAG G O7 9035 C C1 . NAG H . ? 0.5575 0.9077 0.8821 -0.2322 0.1330 0.0537 1002 NAG G C1 9036 C C2 . NAG H . ? 0.5334 0.8562 0.8447 -0.2513 0.1104 0.0615 1002 NAG G C2 9037 C C3 . NAG H . ? 0.4905 0.8582 0.8449 -0.2700 0.1078 0.0674 1002 NAG G C3 9038 C C4 . NAG H . ? 0.5559 0.9577 0.9242 -0.2853 0.1319 0.0725 1002 NAG G C4 9039 C C5 . NAG H . ? 0.5923 1.0247 0.9751 -0.2639 0.1555 0.0641 1002 NAG G C5 9040 C C6 . NAG H . ? 0.5818 1.0417 0.9740 -0.2714 0.1802 0.0678 1002 NAG G C6 9041 C C7 . NAG H . ? 0.6070 0.8599 0.8823 -0.2412 0.0702 0.0584 1002 NAG G C7 9042 C C8 . NAG H . ? 0.6596 0.8931 0.9312 -0.2200 0.0539 0.0513 1002 NAG G C8 9043 N N2 . NAG H . ? 0.4491 0.7441 0.7524 -0.2334 0.0898 0.0559 1002 NAG G N2 9044 O O3 . NAG H . ? 0.5669 0.9025 0.9031 -0.2904 0.0866 0.0732 1002 NAG G O3 9045 O O4 . NAG H . ? 0.5176 0.9555 0.9282 -0.2932 0.1274 0.0752 1002 NAG G O4 9046 O O5 . NAG H . ? 0.5870 0.9710 0.9226 -0.2492 0.1557 0.0584 1002 NAG G O5 9047 O O6 . NAG H . ? 0.6288 1.0514 0.9684 -0.2873 0.1896 0.0733 1002 NAG G O6 9048 O O7 . NAG H . ? 0.6565 0.8851 0.9089 -0.2634 0.0662 0.0657 1002 NAG G O7 9049 C C1 . NAG I . ? 1.3493 1.3436 0.7347 0.0447 0.0894 0.1227 201 NAG I C1 9050 C C2 . NAG I . ? 1.3858 1.3903 0.7748 0.0354 0.0781 0.1491 201 NAG I C2 9051 C C3 . NAG I . ? 1.4966 1.5104 0.8447 0.0342 0.0834 0.1511 201 NAG I C3 9052 C C4 . NAG I . ? 1.5193 1.5461 0.8675 0.0405 0.1126 0.1516 201 NAG I C4 9053 C C5 . NAG I . ? 1.5355 1.5546 0.8828 0.0507 0.1219 0.1232 201 NAG I C5 9054 C C6 . NAG I . ? 1.6288 1.6645 0.9815 0.0597 0.1515 0.1227 201 NAG I C6 9055 C C7 . NAG I . ? 1.4273 1.4249 0.8410 0.0252 0.0392 0.1696 201 NAG I C7 9056 C C8 . NAG I . ? 1.3613 1.3544 0.7747 0.0217 0.0123 0.1634 201 NAG I C8 9057 N N2 . NAG I . ? 1.4067 1.4020 0.7956 0.0300 0.0514 0.1469 201 NAG I N2 9058 O O3 . NAG I . ? 1.5424 1.5593 0.8934 0.0280 0.0735 0.1780 201 NAG I O3 9059 O O4 . NAG I . ? 1.5131 1.5481 0.8192 0.0397 0.1193 0.1529 201 NAG I O4 9060 O O5 . NAG I . ? 1.4053 1.4136 0.7900 0.0520 0.1156 0.1235 201 NAG I O5 9061 O O6 . NAG I . ? 1.6255 1.6724 1.0281 0.0599 0.1623 0.1415 201 NAG I O6 9062 O O7 . NAG I . ? 1.5310 1.5338 0.9681 0.0237 0.0487 0.1933 201 NAG I O7 9063 C C1 . NAG J . ? 0.8396 0.8284 0.4324 0.0134 0.0467 0.2290 202 NAG I C1 9064 C C2 . NAG J . ? 0.8323 0.8133 0.4540 0.0100 0.0350 0.2491 202 NAG I C2 9065 C C3 . NAG J . ? 0.9005 0.8828 0.4914 0.0129 0.0234 0.2643 202 NAG I C3 9066 C C4 . NAG J . ? 1.0765 1.0646 0.6367 0.0127 0.0386 0.2723 202 NAG I C4 9067 C C5 . NAG J . ? 1.1198 1.1173 0.6506 0.0154 0.0494 0.2500 202 NAG I C5 9068 C C6 . NAG J . ? 1.1959 1.2018 0.6963 0.0154 0.0663 0.2570 202 NAG I C6 9069 C C7 . NAG J . ? 0.8589 0.8200 0.5479 0.0064 0.0126 0.2405 202 NAG I C7 9070 C C8 . NAG J . ? 0.8507 0.8046 0.5623 0.0061 -0.0006 0.2197 202 NAG I C8 9071 N N2 . NAG J . ? 0.7953 0.7658 0.4464 0.0087 0.0198 0.2319 202 NAG I N2 9072 O O3 . NAG J . ? 0.9259 0.8977 0.5477 0.0120 0.0146 0.2836 202 NAG I O3 9073 O O4 . NAG J . ? 1.1510 1.1370 0.6812 0.0155 0.0260 0.2817 202 NAG I O4 9074 O O5 . NAG J . ? 1.0129 1.0135 0.5733 0.0154 0.0620 0.2427 202 NAG I O5 9075 O O6 . NAG J . ? 1.2187 1.2288 0.7503 0.0108 0.0850 0.2767 202 NAG I O6 9076 O O7 . NAG J . ? 1.0033 0.9601 0.7079 0.0045 0.0170 0.2634 202 NAG I 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 GLN 1 1 1 GLN GLN A . n A 1 2 VAL 2 2 2 VAL VAL A . n A 1 3 GLN 3 3 3 GLN GLN A . n A 1 4 LEU 4 4 4 LEU LEU A . n A 1 5 VAL 5 5 5 VAL VAL A . n A 1 6 GLN 6 6 6 GLN GLN A . n A 1 7 SER 7 7 7 SER SER A . n A 1 8 GLY 8 8 8 GLY GLY A . n A 1 9 ALA 9 9 9 ALA ALA A . n A 1 10 GLU 10 10 10 GLU GLU A . n A 1 11 VAL 11 11 11 VAL VAL A . n A 1 12 LYS 12 12 12 LYS LYS A . n A 1 13 LYS 13 13 13 LYS LYS A . n A 1 14 PRO 14 14 14 PRO PRO A . n A 1 15 GLY 15 15 15 GLY GLY A . n A 1 16 ALA 16 16 16 ALA ALA A . n A 1 17 SER 17 17 17 SER SER A . n A 1 18 VAL 18 18 18 VAL VAL A . n A 1 19 LYS 19 19 19 LYS LYS A . n A 1 20 VAL 20 20 20 VAL VAL A . n A 1 21 SER 21 21 21 SER SER A . n A 1 22 CYS 22 22 22 CYS CYS A . n A 1 23 LYS 23 23 23 LYS LYS A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 SER 25 25 25 SER SER A . n A 1 26 GLY 26 26 26 GLY GLY A . n A 1 27 TYR 27 27 27 TYR TYR A . n A 1 28 THR 28 28 28 THR THR A . n A 1 29 PHE 29 29 29 PHE PHE A . n A 1 30 THR 30 30 30 THR THR A . n A 1 31 GLY 31 31 31 GLY GLY A . n A 1 32 TYR 32 32 32 TYR TYR A . n A 1 33 TYR 33 33 33 TYR TYR A . n A 1 34 MET 34 34 34 MET MET A . n A 1 35 HIS 35 35 35 HIS HIS A . n A 1 36 TRP 36 36 36 TRP TRP A . n A 1 37 VAL 37 37 37 VAL VAL A . n A 1 38 ARG 38 38 38 ARG ARG A . n A 1 39 GLN 39 39 39 GLN GLN A . n A 1 40 ALA 40 40 40 ALA ALA A . n A 1 41 PRO 41 41 41 PRO PRO A . n A 1 42 GLY 42 42 42 GLY GLY A . n A 1 43 GLN 43 43 43 GLN GLN A . n A 1 44 GLY 44 44 44 GLY GLY A . n A 1 45 LEU 45 45 45 LEU LEU A . n A 1 46 GLU 46 46 46 GLU GLU A . n A 1 47 TRP 47 47 47 TRP TRP A . n A 1 48 MET 48 48 48 MET MET A . n A 1 49 GLY 49 49 49 GLY GLY A . n A 1 50 TRP 50 50 50 TRP TRP A . n A 1 51 ILE 51 51 51 ILE ILE A . n A 1 52 ASN 52 52 52 ASN ASN A . n A 1 53 PRO 53 52 52 PRO PRO A A n A 1 54 ASN 54 53 53 ASN ASN A . n A 1 55 SER 55 54 54 SER SER A . n A 1 56 GLY 56 55 55 GLY GLY A . n A 1 57 GLY 57 56 56 GLY GLY A . n A 1 58 THR 58 57 57 THR THR A . n A 1 59 ASN 59 58 58 ASN ASN A . n A 1 60 TYR 60 59 59 TYR TYR A . n A 1 61 ALA 61 60 60 ALA ALA A . n A 1 62 GLN 62 61 61 GLN GLN A . n A 1 63 LYS 63 62 62 LYS LYS A . n A 1 64 PHE 64 63 63 PHE PHE A . n A 1 65 GLN 65 64 64 GLN GLN A . n A 1 66 GLY 66 65 65 GLY GLY A . n A 1 67 ARG 67 66 66 ARG ARG A . n A 1 68 VAL 68 67 67 VAL VAL A . n A 1 69 THR 69 68 68 THR THR A . n A 1 70 MET 70 69 69 MET MET A . n A 1 71 THR 71 70 70 THR THR A . n A 1 72 ARG 72 71 71 ARG ARG A . n A 1 73 ASP 73 72 72 ASP ASP A . n A 1 74 THR 74 73 73 THR THR A . n A 1 75 SER 75 74 74 SER SER A . n A 1 76 ILE 76 75 75 ILE ILE A . n A 1 77 SER 77 76 76 SER SER A . n A 1 78 THR 78 77 77 THR THR A . n A 1 79 ALA 79 78 78 ALA ALA A . n A 1 80 TYR 80 79 79 TYR TYR A . n A 1 81 MET 81 80 80 MET MET A . n A 1 82 GLU 82 81 81 GLU GLU A . n A 1 83 LEU 83 82 82 LEU LEU A . n A 1 84 SER 84 82 82 SER SER A A n A 1 85 ARG 85 82 82 ARG ARG A B n A 1 86 LEU 86 82 82 LEU LEU A C n A 1 87 ARG 87 83 83 ARG ARG A . n A 1 88 SER 88 84 84 SER SER A . n A 1 89 ASP 89 85 85 ASP ASP A . n A 1 90 ASP 90 86 86 ASP ASP A . n A 1 91 THR 91 87 87 THR THR A . n A 1 92 ALA 92 88 88 ALA ALA A . n A 1 93 VAL 93 89 89 VAL VAL A . n A 1 94 TYR 94 90 90 TYR TYR A . n A 1 95 TYR 95 91 91 TYR TYR A . n A 1 96 CYS 96 92 92 CYS CYS A . n A 1 97 ALA 97 93 93 ALA ALA A . n A 1 98 LYS 98 94 94 LYS LYS A . n A 1 99 ILE 99 95 95 ILE ILE A . n A 1 100 SER 100 96 96 SER SER A . n A 1 101 GLY 101 97 97 GLY GLY A . n A 1 102 SER 102 98 98 SER SER A . n A 1 103 TYR 103 99 99 TYR TYR A . n A 1 104 SER 104 100 100 SER SER A . n A 1 105 PHE 105 100 100 PHE PHE A A n A 1 106 ASP 106 101 101 ASP ASP A . n A 1 107 TYR 107 102 102 TYR TYR A . n A 1 108 TRP 108 103 103 TRP TRP A . n A 1 109 GLY 109 104 104 GLY GLY A . n A 1 110 GLN 110 105 105 GLN GLN A . n A 1 111 GLY 111 106 106 GLY GLY A . n A 1 112 THR 112 107 107 THR THR A . n A 1 113 LEU 113 108 108 LEU LEU A . n A 1 114 VAL 114 109 109 VAL VAL A . n A 1 115 THR 115 110 110 THR THR A . n A 1 116 VAL 116 111 111 VAL VAL A . n A 1 117 SER 117 112 112 SER SER A . n A 1 118 SER 118 113 113 SER SER A . n A 1 119 ALA 119 114 114 ALA ALA A . n A 1 120 SER 120 115 115 SER SER A . n A 1 121 THR 121 116 116 THR THR A . n A 1 122 LYS 122 117 117 LYS LYS A . n A 1 123 GLY 123 118 118 GLY GLY A . n A 1 124 PRO 124 119 119 PRO PRO A . n A 1 125 SER 125 120 120 SER SER A . n A 1 126 VAL 126 121 121 VAL VAL A . n A 1 127 PHE 127 122 122 PHE PHE A . n A 1 128 PRO 128 123 123 PRO PRO A . n A 1 129 LEU 129 124 124 LEU LEU A . n A 1 130 ALA 130 125 125 ALA ALA A . n A 1 131 PRO 131 126 126 PRO PRO A . n A 1 132 SER 132 127 127 SER SER A . n A 1 133 SER 133 128 128 SER SER A . n A 1 134 LYS 134 129 129 LYS LYS A . n A 1 135 SER 135 130 130 SER SER A . n A 1 136 THR 136 131 131 THR THR A . n A 1 137 SER 137 132 132 SER SER A . n A 1 138 GLY 138 133 133 GLY GLY A . n A 1 139 GLY 139 134 134 GLY GLY A . n A 1 140 THR 140 135 135 THR THR A . n A 1 141 ALA 141 136 136 ALA ALA A . n A 1 142 ALA 142 137 137 ALA ALA A . n A 1 143 LEU 143 138 138 LEU LEU A . n A 1 144 GLY 144 139 139 GLY GLY A . n A 1 145 CYS 145 140 140 CYS CYS A . n A 1 146 LEU 146 141 141 LEU LEU A . n A 1 147 VAL 147 142 142 VAL VAL A . n A 1 148 LYS 148 143 143 LYS LYS A . n A 1 149 ASP 149 144 144 ASP ASP A . n A 1 150 TYR 150 145 145 TYR TYR A . n A 1 151 PHE 151 146 146 PHE PHE A . n A 1 152 PRO 152 147 147 PRO PRO A . n A 1 153 GLU 153 148 148 GLU GLU A . n A 1 154 PRO 154 149 149 PRO PRO A . n A 1 155 VAL 155 150 150 VAL VAL A . n A 1 156 THR 156 151 151 THR THR A . n A 1 157 VAL 157 152 152 VAL VAL A . n A 1 158 SER 158 153 153 SER SER A . n A 1 159 TRP 159 154 154 TRP TRP A . n A 1 160 ASN 160 155 155 ASN ASN A . n A 1 161 SER 161 156 156 SER SER A . n A 1 162 GLY 162 157 157 GLY GLY A . n A 1 163 ALA 163 158 158 ALA ALA A . n A 1 164 LEU 164 159 159 LEU LEU A . n A 1 165 THR 165 160 160 THR THR A . n A 1 166 SER 166 161 161 SER SER A . n A 1 167 GLY 167 162 162 GLY GLY A . n A 1 168 VAL 168 163 163 VAL VAL A . n A 1 169 HIS 169 164 164 HIS HIS A . n A 1 170 THR 170 165 165 THR THR A . n A 1 171 PHE 171 166 166 PHE PHE A . n A 1 172 PRO 172 167 167 PRO PRO A . n A 1 173 ALA 173 168 168 ALA ALA A . n A 1 174 VAL 174 169 169 VAL VAL A . n A 1 175 LEU 175 170 170 LEU LEU A . n A 1 176 GLN 176 171 171 GLN GLN A . n A 1 177 SER 177 172 172 SER SER A . n A 1 178 SER 178 173 173 SER SER A . n A 1 179 GLY 179 174 174 GLY GLY A . n A 1 180 LEU 180 175 175 LEU LEU A . n A 1 181 TYR 181 176 176 TYR TYR A . n A 1 182 SER 182 177 177 SER SER A . n A 1 183 LEU 183 178 178 LEU LEU A . n A 1 184 SER 184 179 179 SER SER A . n A 1 185 SER 185 180 180 SER SER A . n A 1 186 VAL 186 181 181 VAL VAL A . n A 1 187 VAL 187 182 182 VAL VAL A . n A 1 188 THR 188 183 183 THR THR A . n A 1 189 VAL 189 184 184 VAL VAL A . n A 1 190 PRO 190 185 185 PRO PRO A . n A 1 191 SER 191 186 186 SER SER A . n A 1 192 SER 192 187 187 SER SER A . n A 1 193 SER 193 188 188 SER SER A . n A 1 194 LEU 194 189 189 LEU LEU A . n A 1 195 GLY 195 190 190 GLY GLY A . n A 1 196 THR 196 191 191 THR THR A . n A 1 197 GLN 197 192 192 GLN GLN A . n A 1 198 THR 198 193 193 THR THR A . n A 1 199 TYR 199 194 194 TYR TYR A . n A 1 200 ILE 200 195 195 ILE ILE A . n A 1 201 CYS 201 196 196 CYS CYS A . n A 1 202 ASN 202 197 197 ASN ASN A . n A 1 203 VAL 203 198 198 VAL VAL A . n A 1 204 ASN 204 199 199 ASN ASN A . n A 1 205 HIS 205 200 200 HIS HIS A . n A 1 206 LYS 206 201 201 LYS LYS A . n A 1 207 PRO 207 202 202 PRO PRO A . n A 1 208 SER 208 203 203 SER SER A . n A 1 209 ASN 209 204 204 ASN ASN A . n A 1 210 THR 210 205 205 THR THR A . n A 1 211 LYS 211 206 206 LYS LYS A . n A 1 212 VAL 212 207 207 VAL VAL A . n A 1 213 ASP 213 208 208 ASP ASP A . n A 1 214 LYS 214 209 209 LYS LYS A . n A 1 215 LYS 215 210 210 LYS LYS A . n A 1 216 VAL 216 211 211 VAL VAL A . n A 1 217 GLU 217 212 212 GLU GLU A . n A 1 218 PRO 218 213 213 PRO PRO A . n A 1 219 LYS 219 214 214 LYS LYS A . n A 1 220 SER 220 215 ? ? ? A . n A 1 221 CYS 221 216 ? ? ? A . n B 2 1 ASP 1 1 1 ASP ASP B . n B 2 2 ILE 2 2 2 ILE ILE B . n B 2 3 VAL 3 3 3 VAL VAL B . n B 2 4 MET 4 4 4 MET MET B . n B 2 5 THR 5 5 5 THR THR B . n B 2 6 GLN 6 6 6 GLN GLN B . n B 2 7 SER 7 7 7 SER SER B . n B 2 8 PRO 8 8 8 PRO PRO B . n B 2 9 ASP 9 9 9 ASP ASP B . n B 2 10 SER 10 10 10 SER SER B . n B 2 11 LEU 11 11 11 LEU LEU B . n B 2 12 ALA 12 12 12 ALA ALA B . n B 2 13 VAL 13 13 13 VAL VAL B . n B 2 14 SER 14 14 14 SER SER B . n B 2 15 LEU 15 15 15 LEU LEU B . n B 2 16 GLY 16 16 16 GLY GLY B . n B 2 17 GLU 17 17 17 GLU GLU B . n B 2 18 ARG 18 18 18 ARG ARG B . n B 2 19 ALA 19 19 19 ALA ALA B . n B 2 20 THR 20 20 20 THR THR B . n B 2 21 ILE 21 21 21 ILE ILE B . n B 2 22 ASN 22 22 22 ASN ASN B . n B 2 23 CYS 23 23 23 CYS CYS B . n B 2 24 LYS 24 24 24 LYS LYS B . n B 2 25 SER 25 25 25 SER SER B . n B 2 26 SER 26 26 26 SER SER B . n B 2 27 GLN 27 27 27 GLN GLN B . n B 2 28 SER 28 27 ? ? ? B A n B 2 29 VAL 29 27 ? ? ? B B n B 2 30 LEU 30 27 ? ? ? B C n B 2 31 TYR 31 27 ? ? ? B D n B 2 32 SER 32 27 ? ? ? B E n B 2 33 SER 33 27 ? ? ? B F n B 2 34 ASN 34 27 ? ? ? B G n B 2 35 ASN 35 27 ? ? ? B H n B 2 36 LYS 36 30 30 LYS LYS B . n B 2 37 ASN 37 31 31 ASN ASN B . n B 2 38 TYR 38 32 32 TYR TYR B . n B 2 39 LEU 39 33 33 LEU LEU B . n B 2 40 ALA 40 34 34 ALA ALA B . n B 2 41 TRP 41 35 35 TRP TRP B . n B 2 42 TYR 42 36 36 TYR TYR B . n B 2 43 GLN 43 37 37 GLN GLN B . n B 2 44 GLN 44 38 38 GLN GLN B . n B 2 45 LYS 45 39 39 LYS LYS B . n B 2 46 PRO 46 40 40 PRO PRO B . n B 2 47 GLY 47 41 41 GLY GLY B . n B 2 48 GLN 48 42 42 GLN GLN B . n B 2 49 PRO 49 43 43 PRO PRO B . n B 2 50 PRO 50 44 44 PRO PRO B . n B 2 51 LYS 51 45 45 LYS LYS B . n B 2 52 LEU 52 46 46 LEU LEU B . n B 2 53 LEU 53 47 47 LEU LEU B . n B 2 54 ILE 54 48 48 ILE ILE B . n B 2 55 TYR 55 49 49 TYR TYR B . n B 2 56 TRP 56 50 50 TRP TRP B . n B 2 57 ALA 57 51 51 ALA ALA B . n B 2 58 SER 58 52 52 SER SER B . n B 2 59 THR 59 53 53 THR THR B . n B 2 60 ARG 60 54 54 ARG ARG B . n B 2 61 GLU 61 55 55 GLU GLU B . n B 2 62 SER 62 56 56 SER SER B . n B 2 63 GLY 63 57 57 GLY GLY B . n B 2 64 VAL 64 58 58 VAL VAL B . n B 2 65 PRO 65 59 59 PRO PRO B . n B 2 66 ASP 66 60 60 ASP ASP B . n B 2 67 ARG 67 61 61 ARG ARG B . n B 2 68 PHE 68 62 62 PHE PHE B . n B 2 69 SER 69 63 63 SER SER B . n B 2 70 GLY 70 64 64 GLY GLY B . n B 2 71 SER 71 65 65 SER SER B . n B 2 72 GLY 72 66 66 GLY GLY B . n B 2 73 SER 73 67 67 SER SER B . n B 2 74 GLY 74 68 68 GLY GLY B . n B 2 75 THR 75 69 69 THR THR B . n B 2 76 ASP 76 70 70 ASP ASP B . n B 2 77 PHE 77 71 71 PHE PHE B . n B 2 78 THR 78 72 72 THR THR B . n B 2 79 LEU 79 73 73 LEU LEU B . n B 2 80 THR 80 74 74 THR THR B . n B 2 81 ILE 81 75 75 ILE ILE B . n B 2 82 SER 82 76 76 SER SER B . n B 2 83 SER 83 77 77 SER SER B . n B 2 84 LEU 84 78 78 LEU LEU B . n B 2 85 GLN 85 79 79 GLN GLN B . n B 2 86 ALA 86 80 80 ALA ALA B . n B 2 87 GLU 87 81 81 GLU GLU B . n B 2 88 ASP 88 82 82 ASP ASP B . n B 2 89 VAL 89 83 83 VAL VAL B . n B 2 90 ALA 90 84 84 ALA ALA B . n B 2 91 VAL 91 85 85 VAL VAL B . n B 2 92 TYR 92 86 86 TYR TYR B . n B 2 93 TYR 93 87 87 TYR TYR B . n B 2 94 CYS 94 88 88 CYS CYS B . n B 2 95 GLN 95 89 89 GLN GLN B . n B 2 96 GLN 96 90 90 GLN GLN B . n B 2 97 TYR 97 91 91 TYR TYR B . n B 2 98 TYR 98 96 96 TYR TYR B . n B 2 99 SER 99 97 97 SER SER B . n B 2 100 PHE 100 98 98 PHE PHE B . n B 2 101 GLY 101 99 99 GLY GLY B . n B 2 102 GLY 102 100 100 GLY GLY B . n B 2 103 GLY 103 101 101 GLY GLY B . n B 2 104 THR 104 102 102 THR THR B . n B 2 105 LYS 105 103 103 LYS LYS B . n B 2 106 VAL 106 104 104 VAL VAL B . n B 2 107 GLU 107 105 105 GLU GLU B . n B 2 108 ILE 108 106 106 ILE ILE B . n B 2 109 LYS 109 107 107 LYS LYS B . n B 2 110 ARG 110 108 108 ARG ARG B . n B 2 111 THR 111 109 109 THR THR B . n B 2 112 VAL 112 110 110 VAL VAL B . n B 2 113 ALA 113 111 111 ALA ALA B . n B 2 114 ALA 114 112 112 ALA ALA B . n B 2 115 PRO 115 113 113 PRO PRO B . n B 2 116 SER 116 114 114 SER SER B . n B 2 117 VAL 117 115 115 VAL VAL B . n B 2 118 PHE 118 116 116 PHE PHE B . n B 2 119 ILE 119 117 117 ILE ILE B . n B 2 120 PHE 120 118 118 PHE PHE B . n B 2 121 PRO 121 119 119 PRO PRO B . n B 2 122 PRO 122 120 120 PRO PRO B . n B 2 123 SER 123 121 121 SER SER B . n B 2 124 ASP 124 122 122 ASP ASP B . n B 2 125 GLU 125 123 123 GLU GLU B . n B 2 126 GLN 126 124 124 GLN GLN B . n B 2 127 LEU 127 125 125 LEU LEU B . n B 2 128 LYS 128 126 126 LYS LYS B . n B 2 129 SER 129 127 127 SER SER B . n B 2 130 GLY 130 128 128 GLY GLY B . n B 2 131 THR 131 129 129 THR THR B . n B 2 132 ALA 132 130 130 ALA ALA B . n B 2 133 SER 133 131 131 SER SER B . n B 2 134 VAL 134 132 132 VAL VAL B . n B 2 135 VAL 135 133 133 VAL VAL B . n B 2 136 CYS 136 134 134 CYS CYS B . n B 2 137 LEU 137 135 135 LEU LEU B . n B 2 138 LEU 138 136 136 LEU LEU B . n B 2 139 ASN 139 137 137 ASN ASN B . n B 2 140 ASN 140 138 138 ASN ASN B . n B 2 141 PHE 141 139 139 PHE PHE B . n B 2 142 TYR 142 140 140 TYR TYR B . n B 2 143 PRO 143 141 141 PRO PRO B . n B 2 144 ARG 144 142 142 ARG ARG B . n B 2 145 GLU 145 143 143 GLU GLU B . n B 2 146 ALA 146 144 144 ALA ALA B . n B 2 147 LYS 147 145 145 LYS LYS B . n B 2 148 VAL 148 146 146 VAL VAL B . n B 2 149 GLN 149 147 147 GLN GLN B . n B 2 150 TRP 150 148 148 TRP TRP B . n B 2 151 LYS 151 149 149 LYS LYS B . n B 2 152 VAL 152 150 150 VAL VAL B . n B 2 153 ASP 153 151 151 ASP ASP B . n B 2 154 ASN 154 152 152 ASN ASN B . n B 2 155 ALA 155 153 153 ALA ALA B . n B 2 156 LEU 156 154 154 LEU LEU B . n B 2 157 GLN 157 155 155 GLN GLN B . n B 2 158 SER 158 156 156 SER SER B . n B 2 159 GLY 159 157 157 GLY GLY B . n B 2 160 ASN 160 158 158 ASN ASN B . n B 2 161 SER 161 159 159 SER SER B . n B 2 162 GLN 162 160 160 GLN GLN B . n B 2 163 GLU 163 161 161 GLU GLU B . n B 2 164 SER 164 162 162 SER SER B . n B 2 165 VAL 165 163 163 VAL VAL B . n B 2 166 THR 166 164 164 THR THR B . n B 2 167 GLU 167 165 165 GLU GLU B . n B 2 168 GLN 168 166 166 GLN GLN B . n B 2 169 ASP 169 167 167 ASP ASP B . n B 2 170 SER 170 168 168 SER SER B . n B 2 171 LYS 171 169 169 LYS LYS B . n B 2 172 ASP 172 170 170 ASP ASP B . n B 2 173 SER 173 171 171 SER SER B . n B 2 174 THR 174 172 172 THR THR B . n B 2 175 TYR 175 173 173 TYR TYR B . n B 2 176 SER 176 174 174 SER SER B . n B 2 177 LEU 177 175 175 LEU LEU B . n B 2 178 SER 178 176 176 SER SER B . n B 2 179 SER 179 177 177 SER SER B . n B 2 180 THR 180 178 178 THR THR B . n B 2 181 LEU 181 179 179 LEU LEU B . n B 2 182 THR 182 180 180 THR THR B . n B 2 183 LEU 183 181 181 LEU LEU B . n B 2 184 SER 184 182 182 SER SER B . n B 2 185 LYS 185 183 183 LYS LYS B . n B 2 186 ALA 186 184 184 ALA ALA B . n B 2 187 ASP 187 185 185 ASP ASP B . n B 2 188 TYR 188 186 186 TYR TYR B . n B 2 189 GLU 189 187 187 GLU GLU B . n B 2 190 LYS 190 188 188 LYS LYS B . n B 2 191 HIS 191 189 189 HIS HIS B . n B 2 192 LYS 192 190 190 LYS LYS B . n B 2 193 VAL 193 191 191 VAL VAL B . n B 2 194 TYR 194 192 192 TYR TYR B . n B 2 195 ALA 195 193 193 ALA ALA B . n B 2 196 CYS 196 194 194 CYS CYS B . n B 2 197 GLU 197 195 195 GLU GLU B . n B 2 198 VAL 198 196 196 VAL VAL B . n B 2 199 THR 199 197 197 THR THR B . n B 2 200 HIS 200 198 198 HIS HIS B . n B 2 201 GLN 201 199 199 GLN GLN B . n B 2 202 GLY 202 200 200 GLY GLY B . n B 2 203 LEU 203 201 201 LEU LEU B . n B 2 204 ARG 204 202 202 ARG ARG B . n B 2 205 SER 205 203 203 SER SER B . n B 2 206 PRO 206 204 204 PRO PRO B . n B 2 207 VAL 207 205 205 VAL VAL B . n B 2 208 THR 208 206 206 THR THR B . n B 2 209 LYS 209 207 207 LYS LYS B . n B 2 210 SER 210 208 208 SER SER B . n B 2 211 PHE 211 209 209 PHE PHE B . n B 2 212 ASN 212 210 210 ASN ASN B . n B 2 213 ARG 213 211 211 ARG ARG B . n B 2 214 GLY 214 212 212 GLY GLY B . n B 2 215 GLU 215 213 ? ? ? B . n B 2 216 CYS 216 214 ? ? ? B . n C 3 1 ASP 1 1 1 ASP ASP G . n C 3 2 THR 2 2 2 THR THR G . n C 3 3 ILE 3 3 3 ILE ILE G . n C 3 4 THR 4 4 4 THR THR G . n C 3 5 LEU 5 5 5 LEU LEU G . n C 3 6 PRO 6 6 6 PRO PRO G . n C 3 7 CYS 7 7 7 CYS CYS G . n C 3 8 ARG 8 8 8 ARG ARG G . n C 3 9 PRO 9 9 9 PRO PRO G . n C 3 10 ALA 10 10 10 ALA ALA G . n C 3 11 PRO 11 11 11 PRO PRO G . n C 3 12 PRO 12 12 12 PRO PRO G . n C 3 13 PRO 13 13 13 PRO PRO G . n C 3 14 HIS 14 14 14 HIS HIS G . n C 3 15 CYS 15 15 15 CYS CYS G . n C 3 16 SER 16 16 16 SER SER G . n C 3 17 SER 17 17 17 SER SER G . n C 3 18 ASN 18 18 18 ASN ASN G . n C 3 19 ILE 19 19 19 ILE ILE G . n C 3 20 THR 20 20 20 THR THR G . n C 3 21 GLY 21 21 21 GLY GLY G . n C 3 22 LEU 22 22 22 LEU LEU G . n C 3 23 ILE 23 23 23 ILE ILE G . n C 3 24 LEU 24 24 24 LEU LEU G . n C 3 25 THR 25 25 25 THR THR G . n C 3 26 ARG 26 26 26 ARG ARG G . n C 3 27 GLN 27 27 27 GLN GLN G . n C 3 28 GLY 28 28 28 GLY GLY G . n C 3 29 GLY 29 29 29 GLY GLY G . n C 3 30 TYR 30 30 30 TYR TYR G . n C 3 31 SER 31 31 31 SER SER G . n C 3 32 ASN 32 32 32 ASN ASN G . n C 3 33 ALA 33 33 33 ALA ALA G . n C 3 34 ASN 34 34 34 ASN ASN G . n C 3 35 THR 35 35 35 THR THR G . n C 3 36 VAL 36 36 36 VAL VAL G . n C 3 37 ILE 37 37 37 ILE ILE G . n C 3 38 PHE 38 38 38 PHE PHE G . n C 3 39 ARG 39 39 39 ARG ARG G . n C 3 40 PRO 40 40 40 PRO PRO G . n C 3 41 SER 41 41 41 SER SER G . n C 3 42 GLY 42 42 42 GLY GLY G . n C 3 43 GLY 43 43 43 GLY GLY G . n C 3 44 ASP 44 44 44 ASP ASP G . n C 3 45 TRP 45 45 45 TRP TRP G . n C 3 46 ARG 46 46 46 ARG ARG G . n C 3 47 ASP 47 47 47 ASP ASP G . n C 3 48 ILE 48 48 48 ILE ILE G . n C 3 49 ALA 49 49 49 ALA ALA G . n C 3 50 ARG 50 50 50 ARG ARG G . n C 3 51 CYS 51 51 51 CYS CYS G . n C 3 52 GLN 52 52 52 GLN GLN G . n C 3 53 ILE 53 53 53 ILE ILE G . n C 3 54 ALA 54 54 54 ALA ALA G . n C 3 55 GLY 55 55 55 GLY GLY G . n C 3 56 THR 56 56 56 THR THR G . n C 3 57 VAL 57 57 57 VAL VAL G . n C 3 58 VAL 58 58 58 VAL VAL G . n C 3 59 SER 59 59 59 SER SER G . n C 3 60 THR 60 60 60 THR THR G . n C 3 61 GLN 61 61 61 GLN GLN G . n C 3 62 LEU 62 62 62 LEU LEU G . n C 3 63 PHE 63 63 63 PHE PHE G . n C 3 64 LEU 64 64 64 LEU LEU G . n C 3 65 ASN 65 65 65 ASN ASN G . n C 3 66 GLY 66 66 66 GLY GLY G . n C 3 67 SER 67 67 67 SER SER G . n C 3 68 LEU 68 68 68 LEU LEU G . n C 3 69 ALA 69 69 69 ALA ALA G . n C 3 70 GLU 70 70 70 GLU GLU G . n C 3 71 GLU 71 71 71 GLU GLU G . n C 3 72 GLU 72 72 72 GLU GLU G . n C 3 73 VAL 73 73 73 VAL VAL G . n C 3 74 VAL 74 74 74 VAL VAL G . n C 3 75 ILE 75 75 75 ILE ILE G . n C 3 76 ARG 76 76 76 ARG ARG G . n C 3 77 SER 77 77 77 SER SER G . n C 3 78 GLU 78 78 78 GLU GLU G . n C 3 79 ASP 79 79 79 ASP ASP G . n C 3 80 TRP 80 80 80 TRP TRP G . n C 3 81 ARG 81 81 81 ARG ARG G . n C 3 82 ASP 82 82 82 ASP ASP G . n C 3 83 ASN 83 83 83 ASN ASN G . n C 3 84 ALA 84 84 84 ALA ALA G . n C 3 85 LYS 85 85 85 LYS LYS G . n C 3 86 SER 86 86 86 SER SER G . n C 3 87 ILE 87 87 87 ILE ILE G . n C 3 88 CYS 88 88 88 CYS CYS G . n C 3 89 VAL 89 89 89 VAL VAL G . n C 3 90 GLN 90 90 90 GLN GLN G . n C 3 91 LEU 91 91 91 LEU LEU G . n C 3 92 ALA 92 92 92 ALA ALA G . n C 3 93 THR 93 93 93 THR THR G . n C 3 94 SER 94 94 94 SER SER G . n C 3 95 VAL 95 95 95 VAL VAL G . n C 3 96 GLU 96 96 96 GLU GLU G . n C 3 97 ILE 97 97 97 ILE ILE G . n C 3 98 ALA 98 98 98 ALA ALA G . n C 3 99 CYS 99 99 99 CYS CYS G . n C 3 100 THR 100 100 100 THR THR G . n C 3 101 GLY 101 101 101 GLY GLY G . n C 3 102 ALA 102 102 102 ALA ALA G . n C 3 103 GLY 103 103 103 GLY GLY G . n C 3 104 HIS 104 104 104 HIS HIS G . n C 3 105 CYS 105 105 105 CYS CYS G . n C 3 106 ALA 106 106 106 ALA ALA G . n C 3 107 ILE 107 107 107 ILE ILE G . n C 3 108 SER 108 108 108 SER SER G . n C 3 109 ARG 109 109 109 ARG ARG G . n C 3 110 ALA 110 110 110 ALA ALA G . n C 3 111 LYS 111 111 111 LYS LYS G . n C 3 112 TRP 112 112 112 TRP TRP G . n C 3 113 ALA 113 113 113 ALA ALA G . n C 3 114 ASN 114 114 114 ASN ASN G . n C 3 115 THR 115 115 115 THR THR G . n C 3 116 LEU 116 116 116 LEU LEU G . n C 3 117 LYS 117 117 117 LYS LYS G . n C 3 118 GLN 118 118 118 GLN GLN G . n C 3 119 ILE 119 119 119 ILE ILE G . n C 3 120 ALA 120 120 120 ALA ALA G . n C 3 121 SER 121 121 121 SER SER G . n C 3 122 LYS 122 122 122 LYS LYS G . n C 3 123 LEU 123 123 123 LEU LEU G . n C 3 124 ARG 124 124 124 ARG ARG G . n C 3 125 GLU 125 125 125 GLU GLU G . n C 3 126 GLN 126 126 126 GLN GLN G . n C 3 127 TYR 127 127 127 TYR TYR G . n C 3 128 GLY 128 128 128 GLY GLY G . n C 3 129 ALA 129 129 129 ALA ALA G . n C 3 130 LYS 130 130 130 LYS LYS G . n C 3 131 THR 131 131 131 THR THR G . n C 3 132 ILE 132 132 132 ILE ILE G . n C 3 133 ILE 133 133 133 ILE ILE G . n C 3 134 PHE 134 134 134 PHE PHE G . n C 3 135 LYS 135 135 135 LYS LYS G . n C 3 136 PRO 136 136 136 PRO PRO G . n C 3 137 SER 137 137 137 SER SER G . n C 3 138 SER 138 138 138 SER SER G . n C 3 139 GLY 139 139 139 GLY GLY G . n C 3 140 GLY 140 140 140 GLY GLY G . n C 3 141 ASP 141 141 141 ASP ASP G . n C 3 142 PRO 142 142 142 PRO PRO G . n C 3 143 GLU 143 143 143 GLU GLU G . n C 3 144 PHE 144 144 144 PHE PHE G . n C 3 145 VAL 145 145 145 VAL VAL G . n C 3 146 ASN 146 146 146 ASN ASN G . n C 3 147 HIS 147 147 147 HIS HIS G . n C 3 148 SER 148 148 148 SER SER G . n C 3 149 PHE 149 149 149 PHE PHE G . n C 3 150 ASN 150 150 150 ASN ASN G . n C 3 151 CYS 151 151 151 CYS CYS G . n C 3 152 GLY 152 152 152 GLY GLY G . n C 3 153 GLY 153 153 153 GLY GLY G . n C 3 154 GLU 154 154 154 GLU GLU G . n C 3 155 PHE 155 155 155 PHE PHE G . n C 3 156 PHE 156 156 156 PHE PHE G . n C 3 157 TYR 157 157 157 TYR TYR G . n C 3 158 CYS 158 158 158 CYS CYS G . n C 3 159 ALA 159 159 159 ALA ALA G . n C 3 160 SER 160 160 160 SER SER G . n C 3 161 THR 161 161 161 THR THR G . n C 3 162 GLN 162 162 162 GLN GLN G . n C 3 163 LEU 163 163 163 LEU LEU G . n C 3 164 PHE 164 164 164 PHE PHE G . n C 3 165 ALA 165 165 165 ALA ALA G . n C 3 166 SER 166 166 166 SER SER G . n C 3 167 THR 167 167 167 THR THR G . n C 3 168 TRP 168 168 168 TRP TRP G . n C 3 169 PHE 169 169 169 PHE PHE G . n C 3 170 ALA 170 170 ? ? ? G . n C 3 171 SER 171 171 ? ? ? G . n C 3 172 THR 172 172 ? ? ? G . n C 3 173 GLY 173 173 ? ? ? G . n C 3 174 THR 174 174 ? ? ? G . n C 3 175 GLY 175 175 ? ? ? G . n C 3 176 THR 176 176 ? ? ? G . n C 3 177 LYS 177 177 ? ? ? G . n C 3 178 HIS 178 178 ? ? ? G . n C 3 179 HIS 179 179 ? ? ? G . n C 3 180 HIS 180 180 ? ? ? G . n C 3 181 HIS 181 181 ? ? ? G . n C 3 182 HIS 182 182 ? ? ? G . n C 3 183 HIS 183 183 ? ? ? G . n D 1 1 GLN 1 1 1 GLN GLN H . n D 1 2 VAL 2 2 2 VAL VAL H . n D 1 3 GLN 3 3 3 GLN GLN H . n D 1 4 LEU 4 4 4 LEU LEU H . n D 1 5 VAL 5 5 5 VAL VAL H . n D 1 6 GLN 6 6 6 GLN GLN H . n D 1 7 SER 7 7 7 SER SER H . n D 1 8 GLY 8 8 8 GLY GLY H . n D 1 9 ALA 9 9 9 ALA ALA H . n D 1 10 GLU 10 10 10 GLU GLU H . n D 1 11 VAL 11 11 11 VAL VAL H . n D 1 12 LYS 12 12 12 LYS LYS H . n D 1 13 LYS 13 13 13 LYS LYS H . n D 1 14 PRO 14 14 14 PRO PRO H . n D 1 15 GLY 15 15 15 GLY GLY H . n D 1 16 ALA 16 16 16 ALA ALA H . n D 1 17 SER 17 17 17 SER SER H . n D 1 18 VAL 18 18 18 VAL VAL H . n D 1 19 LYS 19 19 19 LYS LYS H . n D 1 20 VAL 20 20 20 VAL VAL H . n D 1 21 SER 21 21 21 SER SER H . n D 1 22 CYS 22 22 22 CYS CYS H . n D 1 23 LYS 23 23 23 LYS LYS H . n D 1 24 ALA 24 24 24 ALA ALA H . n D 1 25 SER 25 25 25 SER SER H . n D 1 26 GLY 26 26 26 GLY GLY H . n D 1 27 TYR 27 27 27 TYR TYR H . n D 1 28 THR 28 28 28 THR THR H . n D 1 29 PHE 29 29 29 PHE PHE H . n D 1 30 THR 30 30 30 THR THR H . n D 1 31 GLY 31 31 31 GLY GLY H . n D 1 32 TYR 32 32 32 TYR TYR H . n D 1 33 TYR 33 33 33 TYR TYR H . n D 1 34 MET 34 34 34 MET MET H . n D 1 35 HIS 35 35 35 HIS HIS H . n D 1 36 TRP 36 36 36 TRP TRP H . n D 1 37 VAL 37 37 37 VAL VAL H . n D 1 38 ARG 38 38 38 ARG ARG H . n D 1 39 GLN 39 39 39 GLN GLN H . n D 1 40 ALA 40 40 40 ALA ALA H . n D 1 41 PRO 41 41 41 PRO PRO H . n D 1 42 GLY 42 42 42 GLY GLY H . n D 1 43 GLN 43 43 43 GLN GLN H . n D 1 44 GLY 44 44 44 GLY GLY H . n D 1 45 LEU 45 45 45 LEU LEU H . n D 1 46 GLU 46 46 46 GLU GLU H . n D 1 47 TRP 47 47 47 TRP TRP H . n D 1 48 MET 48 48 48 MET MET H . n D 1 49 GLY 49 49 49 GLY GLY H . n D 1 50 TRP 50 50 50 TRP TRP H . n D 1 51 ILE 51 51 51 ILE ILE H . n D 1 52 ASN 52 52 52 ASN ASN H . n D 1 53 PRO 53 52 52 PRO PRO H A n D 1 54 ASN 54 53 53 ASN ASN H . n D 1 55 SER 55 54 54 SER SER H . n D 1 56 GLY 56 55 55 GLY GLY H . n D 1 57 GLY 57 56 56 GLY GLY H . n D 1 58 THR 58 57 57 THR THR H . n D 1 59 ASN 59 58 58 ASN ASN H . n D 1 60 TYR 60 59 59 TYR TYR H . n D 1 61 ALA 61 60 60 ALA ALA H . n D 1 62 GLN 62 61 61 GLN GLN H . n D 1 63 LYS 63 62 62 LYS LYS H . n D 1 64 PHE 64 63 63 PHE PHE H . n D 1 65 GLN 65 64 64 GLN GLN H . n D 1 66 GLY 66 65 65 GLY GLY H . n D 1 67 ARG 67 66 66 ARG ARG H . n D 1 68 VAL 68 67 67 VAL VAL H . n D 1 69 THR 69 68 68 THR THR H . n D 1 70 MET 70 69 69 MET MET H . n D 1 71 THR 71 70 70 THR THR H . n D 1 72 ARG 72 71 71 ARG ARG H . n D 1 73 ASP 73 72 72 ASP ASP H . n D 1 74 THR 74 73 73 THR THR H . n D 1 75 SER 75 74 74 SER SER H . n D 1 76 ILE 76 75 75 ILE ILE H . n D 1 77 SER 77 76 76 SER SER H . n D 1 78 THR 78 77 77 THR THR H . n D 1 79 ALA 79 78 78 ALA ALA H . n D 1 80 TYR 80 79 79 TYR TYR H . n D 1 81 MET 81 80 80 MET MET H . n D 1 82 GLU 82 81 81 GLU GLU H . n D 1 83 LEU 83 82 82 LEU LEU H . n D 1 84 SER 84 82 82 SER SER H A n D 1 85 ARG 85 82 82 ARG ARG H B n D 1 86 LEU 86 82 82 LEU LEU H C n D 1 87 ARG 87 83 83 ARG ARG H . n D 1 88 SER 88 84 84 SER SER H . n D 1 89 ASP 89 85 85 ASP ASP H . n D 1 90 ASP 90 86 86 ASP ASP H . n D 1 91 THR 91 87 87 THR THR H . n D 1 92 ALA 92 88 88 ALA ALA H . n D 1 93 VAL 93 89 89 VAL VAL H . n D 1 94 TYR 94 90 90 TYR TYR H . n D 1 95 TYR 95 91 91 TYR TYR H . n D 1 96 CYS 96 92 92 CYS CYS H . n D 1 97 ALA 97 93 93 ALA ALA H . n D 1 98 LYS 98 94 94 LYS LYS H . n D 1 99 ILE 99 95 95 ILE ILE H . n D 1 100 SER 100 96 96 SER SER H . n D 1 101 GLY 101 97 97 GLY GLY H . n D 1 102 SER 102 98 98 SER SER H . n D 1 103 TYR 103 99 99 TYR TYR H . n D 1 104 SER 104 100 100 SER SER H . n D 1 105 PHE 105 100 100 PHE PHE H A n D 1 106 ASP 106 101 101 ASP ASP H . n D 1 107 TYR 107 102 102 TYR TYR H . n D 1 108 TRP 108 103 103 TRP TRP H . n D 1 109 GLY 109 104 104 GLY GLY H . n D 1 110 GLN 110 105 105 GLN GLN H . n D 1 111 GLY 111 106 106 GLY GLY H . n D 1 112 THR 112 107 107 THR THR H . n D 1 113 LEU 113 108 108 LEU LEU H . n D 1 114 VAL 114 109 109 VAL VAL H . n D 1 115 THR 115 110 110 THR THR H . n D 1 116 VAL 116 111 111 VAL VAL H . n D 1 117 SER 117 112 112 SER SER H . n D 1 118 SER 118 113 113 SER SER H . n D 1 119 ALA 119 114 114 ALA ALA H . n D 1 120 SER 120 115 115 SER SER H . n D 1 121 THR 121 116 116 THR THR H . n D 1 122 LYS 122 117 117 LYS LYS H . n D 1 123 GLY 123 118 118 GLY GLY H . n D 1 124 PRO 124 119 119 PRO PRO H . n D 1 125 SER 125 120 120 SER SER H . n D 1 126 VAL 126 121 121 VAL VAL H . n D 1 127 PHE 127 122 122 PHE PHE H . n D 1 128 PRO 128 123 123 PRO PRO H . n D 1 129 LEU 129 124 124 LEU LEU H . n D 1 130 ALA 130 125 125 ALA ALA H . n D 1 131 PRO 131 126 126 PRO PRO H . n D 1 132 SER 132 127 127 SER SER H . n D 1 133 SER 133 128 128 SER SER H . n D 1 134 LYS 134 129 129 LYS LYS H . n D 1 135 SER 135 130 130 SER SER H . n D 1 136 THR 136 131 131 THR THR H . n D 1 137 SER 137 132 132 SER SER H . n D 1 138 GLY 138 133 133 GLY GLY H . n D 1 139 GLY 139 134 134 GLY GLY H . n D 1 140 THR 140 135 135 THR THR H . n D 1 141 ALA 141 136 136 ALA ALA H . n D 1 142 ALA 142 137 137 ALA ALA H . n D 1 143 LEU 143 138 138 LEU LEU H . n D 1 144 GLY 144 139 139 GLY GLY H . n D 1 145 CYS 145 140 140 CYS CYS H . n D 1 146 LEU 146 141 141 LEU LEU H . n D 1 147 VAL 147 142 142 VAL VAL H . n D 1 148 LYS 148 143 143 LYS LYS H . n D 1 149 ASP 149 144 144 ASP ASP H . n D 1 150 TYR 150 145 145 TYR TYR H . n D 1 151 PHE 151 146 146 PHE PHE H . n D 1 152 PRO 152 147 147 PRO PRO H . n D 1 153 GLU 153 148 148 GLU GLU H . n D 1 154 PRO 154 149 149 PRO PRO H . n D 1 155 VAL 155 150 150 VAL VAL H . n D 1 156 THR 156 151 151 THR THR H . n D 1 157 VAL 157 152 152 VAL VAL H . n D 1 158 SER 158 153 153 SER SER H . n D 1 159 TRP 159 154 154 TRP TRP H . n D 1 160 ASN 160 155 155 ASN ASN H . n D 1 161 SER 161 156 156 SER SER H . n D 1 162 GLY 162 157 157 GLY GLY H . n D 1 163 ALA 163 158 158 ALA ALA H . n D 1 164 LEU 164 159 159 LEU LEU H . n D 1 165 THR 165 160 160 THR THR H . n D 1 166 SER 166 161 161 SER SER H . n D 1 167 GLY 167 162 162 GLY GLY H . n D 1 168 VAL 168 163 163 VAL VAL H . n D 1 169 HIS 169 164 164 HIS HIS H . n D 1 170 THR 170 165 165 THR THR H . n D 1 171 PHE 171 166 166 PHE PHE H . n D 1 172 PRO 172 167 167 PRO PRO H . n D 1 173 ALA 173 168 168 ALA ALA H . n D 1 174 VAL 174 169 169 VAL VAL H . n D 1 175 LEU 175 170 170 LEU LEU H . n D 1 176 GLN 176 171 171 GLN GLN H . n D 1 177 SER 177 172 172 SER SER H . n D 1 178 SER 178 173 173 SER SER H . n D 1 179 GLY 179 174 174 GLY GLY H . n D 1 180 LEU 180 175 175 LEU LEU H . n D 1 181 TYR 181 176 176 TYR TYR H . n D 1 182 SER 182 177 177 SER SER H . n D 1 183 LEU 183 178 178 LEU LEU H . n D 1 184 SER 184 179 179 SER SER H . n D 1 185 SER 185 180 180 SER SER H . n D 1 186 VAL 186 181 181 VAL VAL H . n D 1 187 VAL 187 182 182 VAL VAL H . n D 1 188 THR 188 183 183 THR THR H . n D 1 189 VAL 189 184 184 VAL VAL H . n D 1 190 PRO 190 185 185 PRO PRO H . n D 1 191 SER 191 186 186 SER SER H . n D 1 192 SER 192 187 187 SER SER H . n D 1 193 SER 193 188 188 SER SER H . n D 1 194 LEU 194 189 189 LEU LEU H . n D 1 195 GLY 195 190 190 GLY GLY H . n D 1 196 THR 196 191 191 THR THR H . n D 1 197 GLN 197 192 192 GLN GLN H . n D 1 198 THR 198 193 193 THR THR H . n D 1 199 TYR 199 194 194 TYR TYR H . n D 1 200 ILE 200 195 195 ILE ILE H . n D 1 201 CYS 201 196 196 CYS CYS H . n D 1 202 ASN 202 197 197 ASN ASN H . n D 1 203 VAL 203 198 198 VAL VAL H . n D 1 204 ASN 204 199 199 ASN ASN H . n D 1 205 HIS 205 200 200 HIS HIS H . n D 1 206 LYS 206 201 201 LYS LYS H . n D 1 207 PRO 207 202 202 PRO PRO H . n D 1 208 SER 208 203 203 SER SER H . n D 1 209 ASN 209 204 204 ASN ASN H . n D 1 210 THR 210 205 205 THR THR H . n D 1 211 LYS 211 206 206 LYS LYS H . n D 1 212 VAL 212 207 207 VAL VAL H . n D 1 213 ASP 213 208 208 ASP ASP H . n D 1 214 LYS 214 209 209 LYS LYS H . n D 1 215 LYS 215 210 210 LYS LYS H . n D 1 216 VAL 216 211 211 VAL VAL H . n D 1 217 GLU 217 212 212 GLU GLU H . n D 1 218 PRO 218 213 213 PRO PRO H . n D 1 219 LYS 219 214 214 LYS LYS H . n D 1 220 SER 220 215 ? ? ? H . n D 1 221 CYS 221 216 ? ? ? H . n E 3 1 ASP 1 1 1 ASP ASP I . n E 3 2 THR 2 2 2 THR THR I . n E 3 3 ILE 3 3 3 ILE ILE I . n E 3 4 THR 4 4 4 THR THR I . n E 3 5 LEU 5 5 5 LEU LEU I . n E 3 6 PRO 6 6 6 PRO PRO I . n E 3 7 CYS 7 7 7 CYS CYS I . n E 3 8 ARG 8 8 8 ARG ARG I . n E 3 9 PRO 9 9 9 PRO PRO I . n E 3 10 ALA 10 10 10 ALA ALA I . n E 3 11 PRO 11 11 11 PRO PRO I . n E 3 12 PRO 12 12 12 PRO PRO I . n E 3 13 PRO 13 13 13 PRO PRO I . n E 3 14 HIS 14 14 14 HIS HIS I . n E 3 15 CYS 15 15 15 CYS CYS I . n E 3 16 SER 16 16 16 SER SER I . n E 3 17 SER 17 17 17 SER SER I . n E 3 18 ASN 18 18 18 ASN ASN I . n E 3 19 ILE 19 19 19 ILE ILE I . n E 3 20 THR 20 20 20 THR THR I . n E 3 21 GLY 21 21 21 GLY GLY I . n E 3 22 LEU 22 22 22 LEU LEU I . n E 3 23 ILE 23 23 23 ILE ILE I . n E 3 24 LEU 24 24 24 LEU LEU I . n E 3 25 THR 25 25 25 THR THR I . n E 3 26 ARG 26 26 26 ARG ARG I . n E 3 27 GLN 27 27 27 GLN GLN I . n E 3 28 GLY 28 28 28 GLY GLY I . n E 3 29 GLY 29 29 29 GLY GLY I . n E 3 30 TYR 30 30 30 TYR TYR I . n E 3 31 SER 31 31 31 SER SER I . n E 3 32 ASN 32 32 32 ASN ASN I . n E 3 33 ALA 33 33 33 ALA ALA I . n E 3 34 ASN 34 34 34 ASN ASN I . n E 3 35 THR 35 35 35 THR THR I . n E 3 36 VAL 36 36 36 VAL VAL I . n E 3 37 ILE 37 37 37 ILE ILE I . n E 3 38 PHE 38 38 38 PHE PHE I . n E 3 39 ARG 39 39 39 ARG ARG I . n E 3 40 PRO 40 40 40 PRO PRO I . n E 3 41 SER 41 41 41 SER SER I . n E 3 42 GLY 42 42 42 GLY GLY I . n E 3 43 GLY 43 43 43 GLY GLY I . n E 3 44 ASP 44 44 44 ASP ASP I . n E 3 45 TRP 45 45 45 TRP TRP I . n E 3 46 ARG 46 46 46 ARG ARG I . n E 3 47 ASP 47 47 47 ASP ASP I . n E 3 48 ILE 48 48 48 ILE ILE I . n E 3 49 ALA 49 49 49 ALA ALA I . n E 3 50 ARG 50 50 50 ARG ARG I . n E 3 51 CYS 51 51 51 CYS CYS I . n E 3 52 GLN 52 52 52 GLN GLN I . n E 3 53 ILE 53 53 53 ILE ILE I . n E 3 54 ALA 54 54 54 ALA ALA I . n E 3 55 GLY 55 55 55 GLY GLY I . n E 3 56 THR 56 56 56 THR THR I . n E 3 57 VAL 57 57 57 VAL VAL I . n E 3 58 VAL 58 58 58 VAL VAL I . n E 3 59 SER 59 59 59 SER SER I . n E 3 60 THR 60 60 60 THR THR I . n E 3 61 GLN 61 61 61 GLN GLN I . n E 3 62 LEU 62 62 62 LEU LEU I . n E 3 63 PHE 63 63 63 PHE PHE I . n E 3 64 LEU 64 64 64 LEU LEU I . n E 3 65 ASN 65 65 65 ASN ASN I . n E 3 66 GLY 66 66 66 GLY GLY I . n E 3 67 SER 67 67 67 SER SER I . n E 3 68 LEU 68 68 68 LEU LEU I . n E 3 69 ALA 69 69 69 ALA ALA I . n E 3 70 GLU 70 70 70 GLU GLU I . n E 3 71 GLU 71 71 71 GLU GLU I . n E 3 72 GLU 72 72 72 GLU GLU I . n E 3 73 VAL 73 73 73 VAL VAL I . n E 3 74 VAL 74 74 74 VAL VAL I . n E 3 75 ILE 75 75 75 ILE ILE I . n E 3 76 ARG 76 76 76 ARG ARG I . n E 3 77 SER 77 77 77 SER SER I . n E 3 78 GLU 78 78 78 GLU GLU I . n E 3 79 ASP 79 79 79 ASP ASP I . n E 3 80 TRP 80 80 80 TRP TRP I . n E 3 81 ARG 81 81 81 ARG ARG I . n E 3 82 ASP 82 82 82 ASP ASP I . n E 3 83 ASN 83 83 83 ASN ASN I . n E 3 84 ALA 84 84 84 ALA ALA I . n E 3 85 LYS 85 85 85 LYS LYS I . n E 3 86 SER 86 86 86 SER SER I . n E 3 87 ILE 87 87 87 ILE ILE I . n E 3 88 CYS 88 88 88 CYS CYS I . n E 3 89 VAL 89 89 89 VAL VAL I . n E 3 90 GLN 90 90 90 GLN GLN I . n E 3 91 LEU 91 91 91 LEU LEU I . n E 3 92 ALA 92 92 92 ALA ALA I . n E 3 93 THR 93 93 93 THR THR I . n E 3 94 SER 94 94 94 SER SER I . n E 3 95 VAL 95 95 95 VAL VAL I . n E 3 96 GLU 96 96 96 GLU GLU I . n E 3 97 ILE 97 97 97 ILE ILE I . n E 3 98 ALA 98 98 98 ALA ALA I . n E 3 99 CYS 99 99 99 CYS CYS I . n E 3 100 THR 100 100 100 THR THR I . n E 3 101 GLY 101 101 101 GLY GLY I . n E 3 102 ALA 102 102 102 ALA ALA I . n E 3 103 GLY 103 103 103 GLY GLY I . n E 3 104 HIS 104 104 104 HIS HIS I . n E 3 105 CYS 105 105 105 CYS CYS I . n E 3 106 ALA 106 106 106 ALA ALA I . n E 3 107 ILE 107 107 107 ILE ILE I . n E 3 108 SER 108 108 108 SER SER I . n E 3 109 ARG 109 109 109 ARG ARG I . n E 3 110 ALA 110 110 110 ALA ALA I . n E 3 111 LYS 111 111 111 LYS LYS I . n E 3 112 TRP 112 112 112 TRP TRP I . n E 3 113 ALA 113 113 113 ALA ALA I . n E 3 114 ASN 114 114 114 ASN ASN I . n E 3 115 THR 115 115 115 THR THR I . n E 3 116 LEU 116 116 116 LEU LEU I . n E 3 117 LYS 117 117 117 LYS LYS I . n E 3 118 GLN 118 118 118 GLN GLN I . n E 3 119 ILE 119 119 119 ILE ILE I . n E 3 120 ALA 120 120 120 ALA ALA I . n E 3 121 SER 121 121 121 SER SER I . n E 3 122 LYS 122 122 122 LYS LYS I . n E 3 123 LEU 123 123 123 LEU LEU I . n E 3 124 ARG 124 124 124 ARG ARG I . n E 3 125 GLU 125 125 125 GLU GLU I . n E 3 126 GLN 126 126 126 GLN GLN I . n E 3 127 TYR 127 127 127 TYR TYR I . n E 3 128 GLY 128 128 128 GLY GLY I . n E 3 129 ALA 129 129 129 ALA ALA I . n E 3 130 LYS 130 130 130 LYS LYS I . n E 3 131 THR 131 131 131 THR THR I . n E 3 132 ILE 132 132 132 ILE ILE I . n E 3 133 ILE 133 133 133 ILE ILE I . n E 3 134 PHE 134 134 134 PHE PHE I . n E 3 135 LYS 135 135 135 LYS LYS I . n E 3 136 PRO 136 136 136 PRO PRO I . n E 3 137 SER 137 137 137 SER SER I . n E 3 138 SER 138 138 138 SER SER I . n E 3 139 GLY 139 139 139 GLY GLY I . n E 3 140 GLY 140 140 140 GLY GLY I . n E 3 141 ASP 141 141 141 ASP ASP I . n E 3 142 PRO 142 142 142 PRO PRO I . n E 3 143 GLU 143 143 143 GLU GLU I . n E 3 144 PHE 144 144 144 PHE PHE I . n E 3 145 VAL 145 145 145 VAL VAL I . n E 3 146 ASN 146 146 146 ASN ASN I . n E 3 147 HIS 147 147 147 HIS HIS I . n E 3 148 SER 148 148 148 SER SER I . n E 3 149 PHE 149 149 149 PHE PHE I . n E 3 150 ASN 150 150 150 ASN ASN I . n E 3 151 CYS 151 151 151 CYS CYS I . n E 3 152 GLY 152 152 152 GLY GLY I . n E 3 153 GLY 153 153 153 GLY GLY I . n E 3 154 GLU 154 154 154 GLU GLU I . n E 3 155 PHE 155 155 155 PHE PHE I . n E 3 156 PHE 156 156 156 PHE PHE I . n E 3 157 TYR 157 157 157 TYR TYR I . n E 3 158 CYS 158 158 158 CYS CYS I . n E 3 159 ALA 159 159 159 ALA ALA I . n E 3 160 SER 160 160 160 SER SER I . n E 3 161 THR 161 161 161 THR THR I . n E 3 162 GLN 162 162 162 GLN GLN I . n E 3 163 LEU 163 163 163 LEU LEU I . n E 3 164 PHE 164 164 164 PHE PHE I . n E 3 165 ALA 165 165 165 ALA ALA I . n E 3 166 SER 166 166 166 SER SER I . n E 3 167 THR 167 167 167 THR THR I . n E 3 168 TRP 168 168 168 TRP TRP I . n E 3 169 PHE 169 169 169 PHE PHE I . n E 3 170 ALA 170 170 ? ? ? I . n E 3 171 SER 171 171 ? ? ? I . n E 3 172 THR 172 172 ? ? ? I . n E 3 173 GLY 173 173 ? ? ? I . n E 3 174 THR 174 174 ? ? ? I . n E 3 175 GLY 175 175 ? ? ? I . n E 3 176 THR 176 176 ? ? ? I . n E 3 177 LYS 177 177 ? ? ? I . n E 3 178 HIS 178 178 ? ? ? I . n E 3 179 HIS 179 179 ? ? ? I . n E 3 180 HIS 180 180 ? ? ? I . n E 3 181 HIS 181 181 ? ? ? I . n E 3 182 HIS 182 182 ? ? ? I . n E 3 183 HIS 183 183 ? ? ? I . n F 2 1 ASP 1 1 1 ASP ASP L . n F 2 2 ILE 2 2 2 ILE ILE L . n F 2 3 VAL 3 3 3 VAL VAL L . n F 2 4 MET 4 4 4 MET MET L . n F 2 5 THR 5 5 5 THR THR L . n F 2 6 GLN 6 6 6 GLN GLN L . n F 2 7 SER 7 7 7 SER SER L . n F 2 8 PRO 8 8 8 PRO PRO L . n F 2 9 ASP 9 9 9 ASP ASP L . n F 2 10 SER 10 10 10 SER SER L . n F 2 11 LEU 11 11 11 LEU LEU L . n F 2 12 ALA 12 12 12 ALA ALA L . n F 2 13 VAL 13 13 13 VAL VAL L . n F 2 14 SER 14 14 14 SER SER L . n F 2 15 LEU 15 15 15 LEU LEU L . n F 2 16 GLY 16 16 16 GLY GLY L . n F 2 17 GLU 17 17 17 GLU GLU L . n F 2 18 ARG 18 18 18 ARG ARG L . n F 2 19 ALA 19 19 19 ALA ALA L . n F 2 20 THR 20 20 20 THR THR L . n F 2 21 ILE 21 21 21 ILE ILE L . n F 2 22 ASN 22 22 22 ASN ASN L . n F 2 23 CYS 23 23 23 CYS CYS L . n F 2 24 LYS 24 24 24 LYS LYS L . n F 2 25 SER 25 25 25 SER SER L . n F 2 26 SER 26 26 26 SER SER L . n F 2 27 GLN 27 27 27 GLN GLN L . n F 2 28 SER 28 27 ? ? ? L A n F 2 29 VAL 29 27 ? ? ? L B n F 2 30 LEU 30 27 ? ? ? L C n F 2 31 TYR 31 27 ? ? ? L D n F 2 32 SER 32 27 ? ? ? L E n F 2 33 SER 33 27 ? ? ? L F n F 2 34 ASN 34 27 ? ? ? L G n F 2 35 ASN 35 27 ? ? ? L H n F 2 36 LYS 36 30 30 LYS LYS L . n F 2 37 ASN 37 31 31 ASN ASN L . n F 2 38 TYR 38 32 32 TYR TYR L . n F 2 39 LEU 39 33 33 LEU LEU L . n F 2 40 ALA 40 34 34 ALA ALA L . n F 2 41 TRP 41 35 35 TRP TRP L . n F 2 42 TYR 42 36 36 TYR TYR L . n F 2 43 GLN 43 37 37 GLN GLN L . n F 2 44 GLN 44 38 38 GLN GLN L . n F 2 45 LYS 45 39 39 LYS LYS L . n F 2 46 PRO 46 40 40 PRO PRO L . n F 2 47 GLY 47 41 41 GLY GLY L . n F 2 48 GLN 48 42 42 GLN GLN L . n F 2 49 PRO 49 43 43 PRO PRO L . n F 2 50 PRO 50 44 44 PRO PRO L . n F 2 51 LYS 51 45 45 LYS LYS L . n F 2 52 LEU 52 46 46 LEU LEU L . n F 2 53 LEU 53 47 47 LEU LEU L . n F 2 54 ILE 54 48 48 ILE ILE L . n F 2 55 TYR 55 49 49 TYR TYR L . n F 2 56 TRP 56 50 50 TRP TRP L . n F 2 57 ALA 57 51 51 ALA ALA L . n F 2 58 SER 58 52 52 SER SER L . n F 2 59 THR 59 53 53 THR THR L . n F 2 60 ARG 60 54 54 ARG ARG L . n F 2 61 GLU 61 55 55 GLU GLU L . n F 2 62 SER 62 56 56 SER SER L . n F 2 63 GLY 63 57 57 GLY GLY L . n F 2 64 VAL 64 58 58 VAL VAL L . n F 2 65 PRO 65 59 59 PRO PRO L . n F 2 66 ASP 66 60 60 ASP ASP L . n F 2 67 ARG 67 61 61 ARG ARG L . n F 2 68 PHE 68 62 62 PHE PHE L . n F 2 69 SER 69 63 63 SER SER L . n F 2 70 GLY 70 64 64 GLY GLY L . n F 2 71 SER 71 65 65 SER SER L . n F 2 72 GLY 72 66 66 GLY GLY L . n F 2 73 SER 73 67 67 SER SER L . n F 2 74 GLY 74 68 68 GLY GLY L . n F 2 75 THR 75 69 69 THR THR L . n F 2 76 ASP 76 70 70 ASP ASP L . n F 2 77 PHE 77 71 71 PHE PHE L . n F 2 78 THR 78 72 72 THR THR L . n F 2 79 LEU 79 73 73 LEU LEU L . n F 2 80 THR 80 74 74 THR THR L . n F 2 81 ILE 81 75 75 ILE ILE L . n F 2 82 SER 82 76 76 SER SER L . n F 2 83 SER 83 77 77 SER SER L . n F 2 84 LEU 84 78 78 LEU LEU L . n F 2 85 GLN 85 79 79 GLN GLN L . n F 2 86 ALA 86 80 80 ALA ALA L . n F 2 87 GLU 87 81 81 GLU GLU L . n F 2 88 ASP 88 82 82 ASP ASP L . n F 2 89 VAL 89 83 83 VAL VAL L . n F 2 90 ALA 90 84 84 ALA ALA L . n F 2 91 VAL 91 85 85 VAL VAL L . n F 2 92 TYR 92 86 86 TYR TYR L . n F 2 93 TYR 93 87 87 TYR TYR L . n F 2 94 CYS 94 88 88 CYS CYS L . n F 2 95 GLN 95 89 89 GLN GLN L . n F 2 96 GLN 96 90 90 GLN GLN L . n F 2 97 TYR 97 91 91 TYR TYR L . n F 2 98 TYR 98 96 96 TYR TYR L . n F 2 99 SER 99 97 97 SER SER L . n F 2 100 PHE 100 98 98 PHE PHE L . n F 2 101 GLY 101 99 99 GLY GLY L . n F 2 102 GLY 102 100 100 GLY GLY L . n F 2 103 GLY 103 101 101 GLY GLY L . n F 2 104 THR 104 102 102 THR THR L . n F 2 105 LYS 105 103 103 LYS LYS L . n F 2 106 VAL 106 104 104 VAL VAL L . n F 2 107 GLU 107 105 105 GLU GLU L . n F 2 108 ILE 108 106 106 ILE ILE L . n F 2 109 LYS 109 107 107 LYS LYS L . n F 2 110 ARG 110 108 108 ARG ARG L . n F 2 111 THR 111 109 109 THR THR L . n F 2 112 VAL 112 110 110 VAL VAL L . n F 2 113 ALA 113 111 111 ALA ALA L . n F 2 114 ALA 114 112 112 ALA ALA L . n F 2 115 PRO 115 113 113 PRO PRO L . n F 2 116 SER 116 114 114 SER SER L . n F 2 117 VAL 117 115 115 VAL VAL L . n F 2 118 PHE 118 116 116 PHE PHE L . n F 2 119 ILE 119 117 117 ILE ILE L . n F 2 120 PHE 120 118 118 PHE PHE L . n F 2 121 PRO 121 119 119 PRO PRO L . n F 2 122 PRO 122 120 120 PRO PRO L . n F 2 123 SER 123 121 121 SER SER L . n F 2 124 ASP 124 122 122 ASP ASP L . n F 2 125 GLU 125 123 123 GLU GLU L . n F 2 126 GLN 126 124 124 GLN GLN L . n F 2 127 LEU 127 125 125 LEU LEU L . n F 2 128 LYS 128 126 126 LYS LYS L . n F 2 129 SER 129 127 127 SER SER L . n F 2 130 GLY 130 128 128 GLY GLY L . n F 2 131 THR 131 129 129 THR THR L . n F 2 132 ALA 132 130 130 ALA ALA L . n F 2 133 SER 133 131 131 SER SER L . n F 2 134 VAL 134 132 132 VAL VAL L . n F 2 135 VAL 135 133 133 VAL VAL L . n F 2 136 CYS 136 134 134 CYS CYS L . n F 2 137 LEU 137 135 135 LEU LEU L . n F 2 138 LEU 138 136 136 LEU LEU L . n F 2 139 ASN 139 137 137 ASN ASN L . n F 2 140 ASN 140 138 138 ASN ASN L . n F 2 141 PHE 141 139 139 PHE PHE L . n F 2 142 TYR 142 140 140 TYR TYR L . n F 2 143 PRO 143 141 141 PRO PRO L . n F 2 144 ARG 144 142 142 ARG ARG L . n F 2 145 GLU 145 143 143 GLU GLU L . n F 2 146 ALA 146 144 144 ALA ALA L . n F 2 147 LYS 147 145 145 LYS LYS L . n F 2 148 VAL 148 146 146 VAL VAL L . n F 2 149 GLN 149 147 147 GLN GLN L . n F 2 150 TRP 150 148 148 TRP TRP L . n F 2 151 LYS 151 149 149 LYS LYS L . n F 2 152 VAL 152 150 150 VAL VAL L . n F 2 153 ASP 153 151 151 ASP ASP L . n F 2 154 ASN 154 152 152 ASN ASN L . n F 2 155 ALA 155 153 153 ALA ALA L . n F 2 156 LEU 156 154 154 LEU LEU L . n F 2 157 GLN 157 155 155 GLN GLN L . n F 2 158 SER 158 156 156 SER SER L . n F 2 159 GLY 159 157 157 GLY GLY L . n F 2 160 ASN 160 158 158 ASN ASN L . n F 2 161 SER 161 159 159 SER SER L . n F 2 162 GLN 162 160 160 GLN GLN L . n F 2 163 GLU 163 161 161 GLU GLU L . n F 2 164 SER 164 162 162 SER SER L . n F 2 165 VAL 165 163 163 VAL VAL L . n F 2 166 THR 166 164 164 THR THR L . n F 2 167 GLU 167 165 165 GLU GLU L . n F 2 168 GLN 168 166 166 GLN GLN L . n F 2 169 ASP 169 167 167 ASP ASP L . n F 2 170 SER 170 168 168 SER SER L . n F 2 171 LYS 171 169 169 LYS LYS L . n F 2 172 ASP 172 170 170 ASP ASP L . n F 2 173 SER 173 171 171 SER SER L . n F 2 174 THR 174 172 172 THR THR L . n F 2 175 TYR 175 173 173 TYR TYR L . n F 2 176 SER 176 174 174 SER SER L . n F 2 177 LEU 177 175 175 LEU LEU L . n F 2 178 SER 178 176 176 SER SER L . n F 2 179 SER 179 177 177 SER SER L . n F 2 180 THR 180 178 178 THR THR L . n F 2 181 LEU 181 179 179 LEU LEU L . n F 2 182 THR 182 180 180 THR THR L . n F 2 183 LEU 183 181 181 LEU LEU L . n F 2 184 SER 184 182 182 SER SER L . n F 2 185 LYS 185 183 183 LYS LYS L . n F 2 186 ALA 186 184 184 ALA ALA L . n F 2 187 ASP 187 185 185 ASP ASP L . n F 2 188 TYR 188 186 186 TYR TYR L . n F 2 189 GLU 189 187 187 GLU GLU L . n F 2 190 LYS 190 188 188 LYS LYS L . n F 2 191 HIS 191 189 189 HIS HIS L . n F 2 192 LYS 192 190 190 LYS LYS L . n F 2 193 VAL 193 191 191 VAL VAL L . n F 2 194 TYR 194 192 192 TYR TYR L . n F 2 195 ALA 195 193 193 ALA ALA L . n F 2 196 CYS 196 194 194 CYS CYS L . n F 2 197 GLU 197 195 195 GLU GLU L . n F 2 198 VAL 198 196 196 VAL VAL L . n F 2 199 THR 199 197 197 THR THR L . n F 2 200 HIS 200 198 198 HIS HIS L . n F 2 201 GLN 201 199 199 GLN GLN L . n F 2 202 GLY 202 200 200 GLY GLY L . n F 2 203 LEU 203 201 201 LEU LEU L . n F 2 204 ARG 204 202 202 ARG ARG L . n F 2 205 SER 205 203 203 SER SER L . n F 2 206 PRO 206 204 204 PRO PRO L . n F 2 207 VAL 207 205 205 VAL VAL L . n F 2 208 THR 208 206 206 THR THR L . n F 2 209 LYS 209 207 207 LYS LYS L . n F 2 210 SER 210 208 208 SER SER L . n F 2 211 PHE 211 209 209 PHE PHE L . n F 2 212 ASN 212 210 210 ASN ASN L . n F 2 213 ARG 213 211 211 ARG ARG L . n F 2 214 GLY 214 212 212 GLY GLY L . n F 2 215 GLU 215 213 ? ? ? L . n F 2 216 CYS 216 214 ? ? ? L . 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 G 4 NAG 1 1001 1001 NAG NAG G . H 4 NAG 1 1002 1002 NAG NAG G . I 4 NAG 1 201 1003 NAG NAG I . J 4 NAG 1 202 1004 NAG NAG I . K 5 PO4 1 301 1 PO4 PO4 L . L 6 HOH 1 301 55 HOH HOH A . L 6 HOH 2 302 20 HOH HOH A . L 6 HOH 3 303 62 HOH HOH A . L 6 HOH 4 304 10 HOH HOH A . L 6 HOH 5 305 32 HOH HOH A . L 6 HOH 6 306 31 HOH HOH A . L 6 HOH 7 307 60 HOH HOH A . L 6 HOH 8 308 52 HOH HOH A . L 6 HOH 9 309 35 HOH HOH A . L 6 HOH 10 310 29 HOH HOH A . M 6 HOH 1 301 21 HOH HOH B . M 6 HOH 2 302 4 HOH HOH B . M 6 HOH 3 303 57 HOH HOH B . M 6 HOH 4 304 37 HOH HOH B . M 6 HOH 5 305 14 HOH HOH B . M 6 HOH 6 306 38 HOH HOH B . M 6 HOH 7 307 50 HOH HOH B . M 6 HOH 8 308 16 HOH HOH B . M 6 HOH 9 309 39 HOH HOH B . M 6 HOH 10 310 19 HOH HOH B . M 6 HOH 11 311 8 HOH HOH B . M 6 HOH 12 312 1 HOH HOH B . M 6 HOH 13 313 41 HOH HOH B . M 6 HOH 14 314 51 HOH HOH B . M 6 HOH 15 315 71 HOH HOH B . M 6 HOH 16 316 64 HOH HOH B . M 6 HOH 17 317 76 HOH HOH B . M 6 HOH 18 318 46 HOH HOH B . M 6 HOH 19 319 34 HOH HOH B . N 6 HOH 1 1101 12 HOH HOH G . N 6 HOH 2 1102 6 HOH HOH G . N 6 HOH 3 1103 27 HOH HOH G . N 6 HOH 4 1104 68 HOH HOH G . N 6 HOH 5 1105 75 HOH HOH G . N 6 HOH 6 1106 30 HOH HOH G . N 6 HOH 7 1107 9 HOH HOH G . N 6 HOH 8 1108 54 HOH HOH G . O 6 HOH 1 301 2 HOH HOH H . O 6 HOH 2 302 15 HOH HOH H . O 6 HOH 3 303 69 HOH HOH H . O 6 HOH 4 304 58 HOH HOH H . O 6 HOH 5 305 22 HOH HOH H . O 6 HOH 6 306 7 HOH HOH H . O 6 HOH 7 307 72 HOH HOH H . O 6 HOH 8 308 40 HOH HOH H . O 6 HOH 9 309 44 HOH HOH H . O 6 HOH 10 310 66 HOH HOH H . O 6 HOH 11 311 42 HOH HOH H . O 6 HOH 12 312 24 HOH HOH H . O 6 HOH 13 313 53 HOH HOH H . O 6 HOH 14 314 73 HOH HOH H . P 6 HOH 1 301 36 HOH HOH I . P 6 HOH 2 302 49 HOH HOH I . P 6 HOH 3 303 26 HOH HOH I . P 6 HOH 4 304 43 HOH HOH I . P 6 HOH 5 305 33 HOH HOH I . Q 6 HOH 1 401 63 HOH HOH L . Q 6 HOH 2 402 13 HOH HOH L . Q 6 HOH 3 403 67 HOH HOH L . Q 6 HOH 4 404 59 HOH HOH L . Q 6 HOH 5 405 18 HOH HOH L . Q 6 HOH 6 406 17 HOH HOH L . Q 6 HOH 7 407 5 HOH HOH L . Q 6 HOH 8 408 45 HOH HOH L . Q 6 HOH 9 409 70 HOH HOH L . Q 6 HOH 10 410 3 HOH HOH L . Q 6 HOH 11 411 28 HOH HOH L . Q 6 HOH 12 412 23 HOH HOH L . Q 6 HOH 13 413 65 HOH HOH L . Q 6 HOH 14 414 47 HOH HOH L . Q 6 HOH 15 415 11 HOH HOH L . Q 6 HOH 16 416 77 HOH HOH L . Q 6 HOH 17 417 61 HOH HOH L . Q 6 HOH 18 418 74 HOH HOH L . Q 6 HOH 19 419 48 HOH HOH L . Q 6 HOH 20 420 56 HOH HOH L . # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA trimeric 3 2 author_and_software_defined_assembly PISA trimeric 3 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,E,I,J,L,M,P 2 1 C,D,F,G,H,K,N,O,Q # _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 # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2016-04-06 # _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_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 169.9574 13.7505 47.9909 0.2816 0.4145 0.5656 -0.0431 0.0835 -0.0094 2.3747 2.9518 3.4479 0.1951 0.1069 0.0860 0.1755 -0.1345 0.3786 0.1071 0.0135 0.3666 -0.1428 -0.4358 -0.1865 'X-RAY DIFFRACTION' 2 ? refined 219.0662 68.2809 -18.0027 0.5794 0.4004 0.2480 0.0130 0.0109 0.0462 3.3081 2.7121 3.0153 -0.3467 -0.2394 0.0667 -0.0740 0.4211 -0.1176 -0.3257 -0.0189 -0.0129 0.5491 0.0627 0.0993 'X-RAY DIFFRACTION' 3 ? refined 217.6238 53.1791 29.7273 0.3078 0.2213 0.3062 0.0361 -0.0471 -0.0058 2.0272 1.7832 2.5238 0.5087 -0.9651 -0.9730 0.0091 0.0837 -0.0596 -0.1384 -0.0320 0.0529 0.0583 -0.0749 0.0660 'X-RAY DIFFRACTION' 4 ? refined 206.8340 66.1298 23.5578 0.3276 0.3412 0.3485 0.0826 -0.0514 0.0508 1.0486 1.2391 3.2978 0.4135 -1.3172 -0.9131 -0.0529 0.0915 0.1255 -0.0624 0.0626 0.0429 -0.0963 -0.2502 0.0055 'X-RAY DIFFRACTION' 5 ? refined 206.6816 16.3459 24.0251 0.3010 0.3624 0.3562 -0.0731 -0.0423 -0.0940 2.4449 1.2096 2.0183 0.8284 -1.9565 -0.8977 0.0203 0.2705 -0.1829 -0.0169 0.0408 0.0468 0.0868 -0.1282 -0.0845 'X-RAY DIFFRACTION' 6 ? refined 215.2862 28.8287 32.9302 0.2829 0.2274 0.3459 -0.0066 -0.0397 -0.0290 1.7041 1.6939 2.3155 0.6132 -0.7299 -0.5883 0.0183 0.0279 0.0039 0.0028 -0.0304 0.1545 -0.0194 -0.0862 0.0058 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? ;chain 'G' ; 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? ;chain 'I' ; 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? ;chain 'B' ; 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? ;chain 'A' ; 'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? ;chain 'H' ; 'X-RAY DIFFRACTION' 6 6 ? ? ? ? ? ? ? ? ? ;chain 'L' ; # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? '(1.10_2155)' 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? v706e 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? v706e 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? 2.5.6 4 # 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 ALA A 16 ? ? -74.14 -150.98 2 1 CYS A 22 ? ? -161.38 106.51 3 1 ASP A 144 ? ? 69.81 66.35 4 1 ALA B 51 ? ? 69.99 -34.24 5 1 SER B 52 ? ? -145.93 -1.18 6 1 ALA B 84 ? ? -176.39 -179.69 7 1 TYR B 91 ? ? 55.25 -129.78 8 1 SER G 31 ? ? 60.64 -103.50 9 1 ASN G 32 ? ? 98.82 -109.52 10 1 ASP G 44 ? ? -134.52 -148.02 11 1 ILE G 53 ? ? -140.36 23.47 12 1 GLN G 61 ? ? 65.13 -54.22 13 1 GLU G 71 ? ? -120.01 -55.52 14 1 ASP G 79 ? ? -162.65 108.73 15 1 PRO G 136 ? ? -68.04 -179.16 16 1 ALA G 165 ? ? -158.73 62.70 17 1 SER H 127 ? ? -149.25 -156.08 18 1 SER H 132 ? ? -125.17 -94.02 19 1 ASP H 144 ? ? 66.41 69.35 20 1 PRO H 147 ? ? -91.44 -158.53 21 1 TYR I 30 ? ? -97.31 -78.78 22 1 SER I 31 ? ? 58.75 -66.18 23 1 ALA I 33 ? ? -89.37 30.34 24 1 ASP I 44 ? ? -134.73 -147.41 25 1 GLN I 61 ? ? 66.27 -55.71 26 1 GLU I 71 ? ? -135.18 -55.13 27 1 ASP I 79 ? ? -162.74 106.53 28 1 PRO I 136 ? ? -67.42 -179.10 29 1 ALA I 165 ? ? -154.40 62.17 30 1 ALA L 51 ? ? 70.24 -33.02 31 1 SER L 52 ? ? -147.68 -1.64 32 1 TYR L 91 ? ? 54.64 -125.48 33 1 ASN L 138 ? ? 61.32 64.60 34 1 PRO L 141 ? ? -78.67 -167.91 35 1 ASN L 152 ? ? 76.30 -1.45 # 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 62 ? CD ? A LYS 63 CD 2 1 Y 1 A LYS 62 ? CE ? A LYS 63 CE 3 1 Y 1 A LYS 62 ? NZ ? A LYS 63 NZ 4 1 Y 1 A LYS 129 ? CB ? A LYS 134 CB 5 1 Y 1 A LYS 129 ? CG ? A LYS 134 CG 6 1 Y 1 A LYS 129 ? CD ? A LYS 134 CD 7 1 Y 1 A LYS 129 ? CE ? A LYS 134 CE 8 1 Y 1 A LYS 129 ? NZ ? A LYS 134 NZ 9 1 Y 1 A LYS 209 ? NZ ? A LYS 214 NZ 10 1 Y 1 B LYS 103 ? NZ ? B LYS 105 NZ 11 1 Y 1 B GLU 105 ? CD ? B GLU 107 CD 12 1 Y 1 B GLU 105 ? OE1 ? B GLU 107 OE1 13 1 Y 1 B GLU 105 ? OE2 ? B GLU 107 OE2 14 1 Y 1 B GLU 123 ? CD ? B GLU 125 CD 15 1 Y 1 B GLU 123 ? OE1 ? B GLU 125 OE1 16 1 Y 1 B GLU 123 ? OE2 ? B GLU 125 OE2 17 1 Y 1 B LYS 126 ? CD ? B LYS 128 CD 18 1 Y 1 B LYS 126 ? CE ? B LYS 128 CE 19 1 Y 1 B LYS 126 ? NZ ? B LYS 128 NZ 20 1 Y 1 B LYS 145 ? NZ ? B LYS 147 NZ 21 1 Y 1 B LYS 149 ? CE ? B LYS 151 CE 22 1 Y 1 B LYS 149 ? NZ ? B LYS 151 NZ 23 1 Y 1 B LYS 169 ? CD ? B LYS 171 CD 24 1 Y 1 B LYS 169 ? CE ? B LYS 171 CE 25 1 Y 1 B LYS 169 ? NZ ? B LYS 171 NZ 26 1 Y 1 B LYS 188 ? CE ? B LYS 190 CE 27 1 Y 1 B LYS 188 ? NZ ? B LYS 190 NZ 28 1 Y 1 B ARG 202 ? CG ? B ARG 204 CG 29 1 Y 1 B ARG 202 ? CD ? B ARG 204 CD 30 1 Y 1 B ARG 202 ? NE ? B ARG 204 NE 31 1 Y 1 B ARG 202 ? CZ ? B ARG 204 CZ 32 1 Y 1 B ARG 202 ? NH1 ? B ARG 204 NH1 33 1 Y 1 B ARG 202 ? NH2 ? B ARG 204 NH2 34 1 Y 1 G ASN 18 ? OD1 ? C ASN 18 OD1 35 1 Y 1 G ASN 32 ? CG ? C ASN 32 CG 36 1 Y 1 G ASN 32 ? OD1 ? C ASN 32 OD1 37 1 Y 1 G ASN 32 ? ND2 ? C ASN 32 ND2 38 1 Y 1 G ASN 65 ? OD1 ? C ASN 65 OD1 39 1 Y 1 G GLU 70 ? CG ? C GLU 70 CG 40 1 Y 1 G GLU 70 ? CD ? C GLU 70 CD 41 1 Y 1 G GLU 70 ? OE1 ? C GLU 70 OE1 42 1 Y 1 G GLU 70 ? OE2 ? C GLU 70 OE2 43 1 Y 1 G GLU 72 ? CD ? C GLU 72 CD 44 1 Y 1 G GLU 72 ? OE1 ? C GLU 72 OE1 45 1 Y 1 G GLU 72 ? OE2 ? C GLU 72 OE2 46 1 Y 1 G GLU 78 ? CD ? C GLU 78 CD 47 1 Y 1 G GLU 78 ? OE1 ? C GLU 78 OE1 48 1 Y 1 G GLU 78 ? OE2 ? C GLU 78 OE2 49 1 Y 1 G ARG 81 ? NE ? C ARG 81 NE 50 1 Y 1 G ARG 81 ? CZ ? C ARG 81 CZ 51 1 Y 1 G ARG 81 ? NH1 ? C ARG 81 NH1 52 1 Y 1 G ARG 81 ? NH2 ? C ARG 81 NH2 53 1 Y 1 G GLU 96 ? CG ? C GLU 96 CG 54 1 Y 1 G GLU 96 ? CD ? C GLU 96 CD 55 1 Y 1 G GLU 96 ? OE1 ? C GLU 96 OE1 56 1 Y 1 G GLU 96 ? OE2 ? C GLU 96 OE2 57 1 Y 1 G LYS 111 ? CG ? C LYS 111 CG 58 1 Y 1 G LYS 111 ? CD ? C LYS 111 CD 59 1 Y 1 G LYS 111 ? CE ? C LYS 111 CE 60 1 Y 1 G LYS 111 ? NZ ? C LYS 111 NZ 61 1 Y 1 G GLU 125 ? CD ? C GLU 125 CD 62 1 Y 1 G GLU 125 ? OE1 ? C GLU 125 OE1 63 1 Y 1 G GLU 125 ? OE2 ? C GLU 125 OE2 64 1 Y 1 G LYS 130 ? CB ? C LYS 130 CB 65 1 Y 1 G LYS 130 ? CG ? C LYS 130 CG 66 1 Y 1 G LYS 130 ? CD ? C LYS 130 CD 67 1 Y 1 G LYS 130 ? CE ? C LYS 130 CE 68 1 Y 1 G LYS 130 ? NZ ? C LYS 130 NZ 69 1 Y 1 H LYS 129 ? CD ? D LYS 134 CD 70 1 Y 1 H LYS 129 ? CE ? D LYS 134 CE 71 1 Y 1 H LYS 129 ? NZ ? D LYS 134 NZ 72 1 Y 1 H LYS 210 ? CE ? D LYS 215 CE 73 1 Y 1 H LYS 210 ? NZ ? D LYS 215 NZ 74 1 Y 1 H GLU 212 ? CD ? D GLU 217 CD 75 1 Y 1 H GLU 212 ? OE1 ? D GLU 217 OE1 76 1 Y 1 H GLU 212 ? OE2 ? D GLU 217 OE2 77 1 Y 1 I ASN 18 ? OD1 ? E ASN 18 OD1 78 1 Y 1 I SER 31 ? O ? E SER 31 O 79 1 Y 1 I SER 31 ? OG ? E SER 31 OG 80 1 Y 1 I ASN 32 ? O ? E ASN 32 O 81 1 Y 1 I ASN 65 ? OD1 ? E ASN 65 OD1 82 1 Y 1 I GLU 78 ? CD ? E GLU 78 CD 83 1 Y 1 I GLU 78 ? OE1 ? E GLU 78 OE1 84 1 Y 1 I GLU 78 ? OE2 ? E GLU 78 OE2 85 1 Y 1 I ARG 81 ? NE ? E ARG 81 NE 86 1 Y 1 I ARG 81 ? CZ ? E ARG 81 CZ 87 1 Y 1 I ARG 81 ? NH1 ? E ARG 81 NH1 88 1 Y 1 I ARG 81 ? NH2 ? E ARG 81 NH2 89 1 Y 1 I GLU 96 ? CG ? E GLU 96 CG 90 1 Y 1 I GLU 96 ? CD ? E GLU 96 CD 91 1 Y 1 I GLU 96 ? OE1 ? E GLU 96 OE1 92 1 Y 1 I GLU 96 ? OE2 ? E GLU 96 OE2 93 1 Y 1 I LYS 117 ? CD ? E LYS 117 CD 94 1 Y 1 I LYS 117 ? CE ? E LYS 117 CE 95 1 Y 1 I LYS 117 ? NZ ? E LYS 117 NZ 96 1 Y 1 I LYS 122 ? NZ ? E LYS 122 NZ 97 1 Y 1 I LYS 130 ? CG ? E LYS 130 CG 98 1 Y 1 I LYS 130 ? CD ? E LYS 130 CD 99 1 Y 1 I LYS 130 ? CE ? E LYS 130 CE 100 1 Y 1 I LYS 130 ? NZ ? E LYS 130 NZ 101 1 Y 1 L GLU 105 ? CD ? F GLU 107 CD 102 1 Y 1 L GLU 105 ? OE1 ? F GLU 107 OE1 103 1 Y 1 L GLU 105 ? OE2 ? F GLU 107 OE2 104 1 Y 1 L LYS 145 ? CE ? F LYS 147 CE 105 1 Y 1 L LYS 145 ? NZ ? F LYS 147 NZ 106 1 Y 1 L LYS 149 ? CE ? F LYS 151 CE 107 1 Y 1 L LYS 149 ? NZ ? F LYS 151 NZ 108 1 Y 1 L LYS 169 ? NZ ? F LYS 171 NZ 109 1 Y 1 L LYS 183 ? NZ ? F LYS 185 NZ 110 1 Y 1 L ASP 185 ? CG ? F ASP 187 CG 111 1 Y 1 L ASP 185 ? OD1 ? F ASP 187 OD1 112 1 Y 1 L ASP 185 ? OD2 ? F ASP 187 OD2 113 1 Y 1 L LYS 190 ? CE ? F LYS 192 CE 114 1 Y 1 L LYS 190 ? NZ ? F LYS 192 NZ 115 1 Y 1 L ARG 202 ? CG ? F ARG 204 CG 116 1 Y 1 L ARG 202 ? CD ? F ARG 204 CD 117 1 Y 1 L ARG 202 ? NE ? F ARG 204 NE 118 1 Y 1 L ARG 202 ? CZ ? F ARG 204 CZ 119 1 Y 1 L ARG 202 ? NH1 ? F ARG 204 NH1 120 1 Y 1 L ARG 202 ? NH2 ? F ARG 204 NH2 # 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 SER 215 ? A SER 220 2 1 Y 1 A CYS 216 ? A CYS 221 3 1 Y 1 B SER 27 A B SER 28 4 1 Y 1 B VAL 27 B B VAL 29 5 1 Y 1 B LEU 27 C B LEU 30 6 1 Y 1 B TYR 27 D B TYR 31 7 1 Y 1 B SER 27 E B SER 32 8 1 Y 1 B SER 27 F B SER 33 9 1 Y 1 B ASN 27 G B ASN 34 10 1 Y 1 B ASN 27 H B ASN 35 11 1 Y 1 B GLU 213 ? B GLU 215 12 1 Y 1 B CYS 214 ? B CYS 216 13 1 Y 1 G ALA 170 ? C ALA 170 14 1 Y 1 G SER 171 ? C SER 171 15 1 Y 1 G THR 172 ? C THR 172 16 1 Y 1 G GLY 173 ? C GLY 173 17 1 Y 1 G THR 174 ? C THR 174 18 1 Y 1 G GLY 175 ? C GLY 175 19 1 Y 1 G THR 176 ? C THR 176 20 1 Y 1 G LYS 177 ? C LYS 177 21 1 Y 1 G HIS 178 ? C HIS 178 22 1 Y 1 G HIS 179 ? C HIS 179 23 1 Y 1 G HIS 180 ? C HIS 180 24 1 Y 1 G HIS 181 ? C HIS 181 25 1 Y 1 G HIS 182 ? C HIS 182 26 1 Y 1 G HIS 183 ? C HIS 183 27 1 Y 1 H SER 215 ? D SER 220 28 1 Y 1 H CYS 216 ? D CYS 221 29 1 Y 1 I ALA 170 ? E ALA 170 30 1 Y 1 I SER 171 ? E SER 171 31 1 Y 1 I THR 172 ? E THR 172 32 1 Y 1 I GLY 173 ? E GLY 173 33 1 Y 1 I THR 174 ? E THR 174 34 1 Y 1 I GLY 175 ? E GLY 175 35 1 Y 1 I THR 176 ? E THR 176 36 1 Y 1 I LYS 177 ? E LYS 177 37 1 Y 1 I HIS 178 ? E HIS 178 38 1 Y 1 I HIS 179 ? E HIS 179 39 1 Y 1 I HIS 180 ? E HIS 180 40 1 Y 1 I HIS 181 ? E HIS 181 41 1 Y 1 I HIS 182 ? E HIS 182 42 1 Y 1 I HIS 183 ? E HIS 183 43 1 Y 1 L SER 27 A F SER 28 44 1 Y 1 L VAL 27 B F VAL 29 45 1 Y 1 L LEU 27 C F LEU 30 46 1 Y 1 L TYR 27 D F TYR 31 47 1 Y 1 L SER 27 E F SER 32 48 1 Y 1 L SER 27 F F SER 33 49 1 Y 1 L ASN 27 G F ASN 34 50 1 Y 1 L ASN 27 H F ASN 35 51 1 Y 1 L GLU 213 ? F GLU 215 52 1 Y 1 L CYS 214 ? F CYS 216 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 N-ACETYL-D-GLUCOSAMINE NAG 5 'PHOSPHATE ION' PO4 6 water HOH #