data_4YY9 # _entry.id 4YY9 # _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 4YY9 WWPDB D_1000208274 # loop_ _pdbx_database_related.db_name _pdbx_database_related.details _pdbx_database_related.db_id _pdbx_database_related.content_type PDB . 4yy1 unspecified PDB . 4yy0 unspecified PDB . 4yy7 unspecified PDB . 4yya unspecified PDB . 4yyb 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 4YY9 _pdbx_database_status.recvd_initial_deposition_date 2015-03-23 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Wang, F.' 1 'Qi, J.' 2 'Bi, Y.' 3 'Zhang, W.' 4 'Wang, M.' 5 'Wang, M.' 6 'Liu, J.' 7 'Yan, J.' 8 'Shi, Y.' 9 'Gao, G.F.' 10 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country ? _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'To Be Published' _citation.journal_id_ASTM ? _citation.journal_id_CSD 0353 _citation.journal_id_ISSN ? _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume ? _citation.language ? _citation.page_first ? _citation.page_last ? _citation.title 'Structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) at 2.6 Angstroms resolution' _citation.year ? _citation.database_id_CSD ? _citation.pdbx_database_id_DOI ? _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Wang, F.' 1 primary 'Qi, J.' 2 primary 'Bi, Y.' 3 primary 'Zhang, W.' 4 primary 'Wang, M.' 5 primary 'Wang, M.' 6 primary 'Liu, J.' 7 primary 'Yan, J.' 8 primary 'Shi, Y.' 9 primary 'Gao, G.F.' 10 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 120.00 _cell.angle_gamma_esd ? _cell.entry_id 4YY9 _cell.details ? _cell.formula_units_Z ? _cell.length_a 113.898 _cell.length_a_esd ? _cell.length_b 113.898 _cell.length_b_esd ? _cell.length_c 163.842 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 6 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 4YY9 _symmetry.cell_setting ? _symmetry.Int_Tables_number 173 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 63' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man HA1 36548.293 1 ? ? ? ? 2 polymer man HA2 18536.426 1 ? ? ? ? 3 non-polymer syn N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 4 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 5 water nat water 18.015 188 ? ? ? ? # 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 ;DKICIGYHANNSTTQVDTLLEKNVTVTHSVELLENQKEKRFCKIMNKAPLDLKDCTIEGWILGNPKCDLLLGDQSWSYIV ERPNAQNGICYPGVLNELEELKAFIGSGERVERFEMFPKSTWAGVDTSRGVTNACPSYTLDSSFYRNLVWLVKTDSATYP VIKGTYNNTGTQPILYFWGVHHPLDTTVQDNLYGSGDKYVRMGTESMNFAKSPEIAARPAVNGQRSRIDYYWSVLRPGET LNVESNGNLIAPWYAYKFVSTNKKGAVFKSDLPIENCDATCQTITGVLRTNKTFQNVSPLWIGECPKYVKSESLRLATGL RNVPQ ; ;DKICIGYHANNSTTQVDTLLEKNVTVTHSVELLENQKEKRFCKIMNKAPLDLKDCTIEGWILGNPKCDLLLGDQSWSYIV ERPNAQNGICYPGVLNELEELKAFIGSGERVERFEMFPKSTWAGVDTSRGVTNACPSYTLDSSFYRNLVWLVKTDSATYP VIKGTYNNTGTQPILYFWGVHHPLDTTVQDNLYGSGDKYVRMGTESMNFAKSPEIAARPAVNGQRSRIDYYWSVLRPGET LNVESNGNLIAPWYAYKFVSTNKKGAVFKSDLPIENCDATCQTITGVLRTNKTFQNVSPLWIGECPKYVKSESLRLATGL RNVPQ ; A ? 2 'polypeptide(L)' no no ;GIFGAIAGFIEGGWTGMIDGWYGYHHENSQGSGYAADRESTQKAIDGITNKVNSIINKMNTQFEAVDHEFSNLERRIGNL NKRMEDGFLDVWTYNAELLVLLENERTLDLHDANVKNLYEKVKSQLRDNANDLGNGCFEFWHKCDNECMESVKNGTYDYP KY ; ;GIFGAIAGFIEGGWTGMIDGWYGYHHENSQGSGYAADRESTQKAIDGITNKVNSIINKMNTQFEAVDHEFSNLERRIGNL NKRMEDGFLDVWTYNAELLVLLENERTLDLHDANVKNLYEKVKSQLRDNANDLGNGCFEFWHKCDNECMESVKNGTYDYP KY ; B ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ASP n 1 2 LYS n 1 3 ILE n 1 4 CYS n 1 5 ILE n 1 6 GLY n 1 7 TYR n 1 8 HIS n 1 9 ALA n 1 10 ASN n 1 11 ASN n 1 12 SER n 1 13 THR n 1 14 THR n 1 15 GLN n 1 16 VAL n 1 17 ASP n 1 18 THR n 1 19 LEU n 1 20 LEU n 1 21 GLU n 1 22 LYS n 1 23 ASN n 1 24 VAL n 1 25 THR n 1 26 VAL n 1 27 THR n 1 28 HIS n 1 29 SER n 1 30 VAL n 1 31 GLU n 1 32 LEU n 1 33 LEU n 1 34 GLU n 1 35 ASN n 1 36 GLN n 1 37 LYS n 1 38 GLU n 1 39 LYS n 1 40 ARG n 1 41 PHE n 1 42 CYS n 1 43 LYS n 1 44 ILE n 1 45 MET n 1 46 ASN n 1 47 LYS n 1 48 ALA n 1 49 PRO n 1 50 LEU n 1 51 ASP n 1 52 LEU n 1 53 LYS n 1 54 ASP n 1 55 CYS n 1 56 THR n 1 57 ILE n 1 58 GLU n 1 59 GLY n 1 60 TRP n 1 61 ILE n 1 62 LEU n 1 63 GLY n 1 64 ASN n 1 65 PRO n 1 66 LYS n 1 67 CYS n 1 68 ASP n 1 69 LEU n 1 70 LEU n 1 71 LEU n 1 72 GLY n 1 73 ASP n 1 74 GLN n 1 75 SER n 1 76 TRP n 1 77 SER n 1 78 TYR n 1 79 ILE n 1 80 VAL n 1 81 GLU n 1 82 ARG n 1 83 PRO n 1 84 ASN n 1 85 ALA n 1 86 GLN n 1 87 ASN n 1 88 GLY n 1 89 ILE n 1 90 CYS n 1 91 TYR n 1 92 PRO n 1 93 GLY n 1 94 VAL n 1 95 LEU n 1 96 ASN n 1 97 GLU n 1 98 LEU n 1 99 GLU n 1 100 GLU n 1 101 LEU n 1 102 LYS n 1 103 ALA n 1 104 PHE n 1 105 ILE n 1 106 GLY n 1 107 SER n 1 108 GLY n 1 109 GLU n 1 110 ARG n 1 111 VAL n 1 112 GLU n 1 113 ARG n 1 114 PHE n 1 115 GLU n 1 116 MET n 1 117 PHE n 1 118 PRO n 1 119 LYS n 1 120 SER n 1 121 THR n 1 122 TRP n 1 123 ALA n 1 124 GLY n 1 125 VAL n 1 126 ASP n 1 127 THR n 1 128 SER n 1 129 ARG n 1 130 GLY n 1 131 VAL n 1 132 THR n 1 133 ASN n 1 134 ALA n 1 135 CYS n 1 136 PRO n 1 137 SER n 1 138 TYR n 1 139 THR n 1 140 LEU n 1 141 ASP n 1 142 SER n 1 143 SER n 1 144 PHE n 1 145 TYR n 1 146 ARG n 1 147 ASN n 1 148 LEU n 1 149 VAL n 1 150 TRP n 1 151 LEU n 1 152 VAL n 1 153 LYS n 1 154 THR n 1 155 ASP n 1 156 SER n 1 157 ALA n 1 158 THR n 1 159 TYR n 1 160 PRO n 1 161 VAL n 1 162 ILE n 1 163 LYS n 1 164 GLY n 1 165 THR n 1 166 TYR n 1 167 ASN n 1 168 ASN n 1 169 THR n 1 170 GLY n 1 171 THR n 1 172 GLN n 1 173 PRO n 1 174 ILE n 1 175 LEU n 1 176 TYR n 1 177 PHE n 1 178 TRP n 1 179 GLY n 1 180 VAL n 1 181 HIS n 1 182 HIS n 1 183 PRO n 1 184 LEU n 1 185 ASP n 1 186 THR n 1 187 THR n 1 188 VAL n 1 189 GLN n 1 190 ASP n 1 191 ASN n 1 192 LEU n 1 193 TYR n 1 194 GLY n 1 195 SER n 1 196 GLY n 1 197 ASP n 1 198 LYS n 1 199 TYR n 1 200 VAL n 1 201 ARG n 1 202 MET n 1 203 GLY n 1 204 THR n 1 205 GLU n 1 206 SER n 1 207 MET n 1 208 ASN n 1 209 PHE n 1 210 ALA n 1 211 LYS n 1 212 SER n 1 213 PRO n 1 214 GLU n 1 215 ILE n 1 216 ALA n 1 217 ALA n 1 218 ARG n 1 219 PRO n 1 220 ALA n 1 221 VAL n 1 222 ASN n 1 223 GLY n 1 224 GLN n 1 225 ARG n 1 226 SER n 1 227 ARG n 1 228 ILE n 1 229 ASP n 1 230 TYR n 1 231 TYR n 1 232 TRP n 1 233 SER n 1 234 VAL n 1 235 LEU n 1 236 ARG n 1 237 PRO n 1 238 GLY n 1 239 GLU n 1 240 THR n 1 241 LEU n 1 242 ASN n 1 243 VAL n 1 244 GLU n 1 245 SER n 1 246 ASN n 1 247 GLY n 1 248 ASN n 1 249 LEU n 1 250 ILE n 1 251 ALA n 1 252 PRO n 1 253 TRP n 1 254 TYR n 1 255 ALA n 1 256 TYR n 1 257 LYS n 1 258 PHE n 1 259 VAL n 1 260 SER n 1 261 THR n 1 262 ASN n 1 263 LYS n 1 264 LYS n 1 265 GLY n 1 266 ALA n 1 267 VAL n 1 268 PHE n 1 269 LYS n 1 270 SER n 1 271 ASP n 1 272 LEU n 1 273 PRO n 1 274 ILE n 1 275 GLU n 1 276 ASN n 1 277 CYS n 1 278 ASP n 1 279 ALA n 1 280 THR n 1 281 CYS n 1 282 GLN n 1 283 THR n 1 284 ILE n 1 285 THR n 1 286 GLY n 1 287 VAL n 1 288 LEU n 1 289 ARG n 1 290 THR n 1 291 ASN n 1 292 LYS n 1 293 THR n 1 294 PHE n 1 295 GLN n 1 296 ASN n 1 297 VAL n 1 298 SER n 1 299 PRO n 1 300 LEU n 1 301 TRP n 1 302 ILE n 1 303 GLY n 1 304 GLU n 1 305 CYS n 1 306 PRO n 1 307 LYS n 1 308 TYR n 1 309 VAL n 1 310 LYS n 1 311 SER n 1 312 GLU n 1 313 SER n 1 314 LEU n 1 315 ARG n 1 316 LEU n 1 317 ALA n 1 318 THR n 1 319 GLY n 1 320 LEU n 1 321 ARG n 1 322 ASN n 1 323 VAL n 1 324 PRO n 1 325 GLN n 2 1 GLY n 2 2 ILE n 2 3 PHE n 2 4 GLY n 2 5 ALA n 2 6 ILE n 2 7 ALA n 2 8 GLY n 2 9 PHE n 2 10 ILE n 2 11 GLU n 2 12 GLY n 2 13 GLY n 2 14 TRP n 2 15 THR n 2 16 GLY n 2 17 MET n 2 18 ILE n 2 19 ASP n 2 20 GLY n 2 21 TRP n 2 22 TYR n 2 23 GLY n 2 24 TYR n 2 25 HIS n 2 26 HIS n 2 27 GLU n 2 28 ASN n 2 29 SER n 2 30 GLN n 2 31 GLY n 2 32 SER n 2 33 GLY n 2 34 TYR n 2 35 ALA n 2 36 ALA n 2 37 ASP n 2 38 ARG n 2 39 GLU n 2 40 SER n 2 41 THR n 2 42 GLN n 2 43 LYS n 2 44 ALA n 2 45 ILE n 2 46 ASP n 2 47 GLY n 2 48 ILE n 2 49 THR n 2 50 ASN n 2 51 LYS n 2 52 VAL n 2 53 ASN n 2 54 SER n 2 55 ILE n 2 56 ILE n 2 57 ASN n 2 58 LYS n 2 59 MET n 2 60 ASN n 2 61 THR n 2 62 GLN n 2 63 PHE n 2 64 GLU n 2 65 ALA n 2 66 VAL n 2 67 ASP n 2 68 HIS n 2 69 GLU n 2 70 PHE n 2 71 SER n 2 72 ASN n 2 73 LEU n 2 74 GLU n 2 75 ARG n 2 76 ARG n 2 77 ILE n 2 78 GLY n 2 79 ASN n 2 80 LEU n 2 81 ASN n 2 82 LYS n 2 83 ARG n 2 84 MET n 2 85 GLU n 2 86 ASP n 2 87 GLY n 2 88 PHE n 2 89 LEU n 2 90 ASP n 2 91 VAL n 2 92 TRP n 2 93 THR n 2 94 TYR n 2 95 ASN n 2 96 ALA n 2 97 GLU n 2 98 LEU n 2 99 LEU n 2 100 VAL n 2 101 LEU n 2 102 LEU n 2 103 GLU n 2 104 ASN n 2 105 GLU n 2 106 ARG n 2 107 THR n 2 108 LEU n 2 109 ASP n 2 110 LEU n 2 111 HIS n 2 112 ASP n 2 113 ALA n 2 114 ASN n 2 115 VAL n 2 116 LYS n 2 117 ASN n 2 118 LEU n 2 119 TYR n 2 120 GLU n 2 121 LYS n 2 122 VAL n 2 123 LYS n 2 124 SER n 2 125 GLN n 2 126 LEU n 2 127 ARG n 2 128 ASP n 2 129 ASN n 2 130 ALA n 2 131 ASN n 2 132 ASP n 2 133 LEU n 2 134 GLY n 2 135 ASN n 2 136 GLY n 2 137 CYS n 2 138 PHE n 2 139 GLU n 2 140 PHE n 2 141 TRP n 2 142 HIS n 2 143 LYS n 2 144 CYS n 2 145 ASP n 2 146 ASN n 2 147 GLU n 2 148 CYS n 2 149 MET n 2 150 GLU n 2 151 SER n 2 152 VAL n 2 153 LYS n 2 154 ASN n 2 155 GLY n 2 156 THR n 2 157 TYR n 2 158 ASP n 2 159 TYR n 2 160 PRO n 2 161 LYS n 2 162 TYR 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' 1 325 ? ? ? ? ? ? ? ? ? 'unidentified influenza virus' 119212 ? ? ? ? ? ? ? ? 'Insect cell expression vector pTIE1' 266783 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample 'Biological sequence' 1 162 ? ? ? ? ? ? ? ? ? 'unidentified influenza virus' 119212 ? ? ? ? ? ? ? ? 'Insect cell expression vector pTIE1' 266783 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # 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 4YY9 4YY9 ? 1 ? 1 2 PDB 4YY9 4YY9 ? 2 ? 1 # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 4YY9 A 1 ? 325 ? 4YY9 1 ? 325 ? 1 325 2 2 4YY9 B 1 ? 162 ? 4YY9 330 ? 491 ? 330 491 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 4YY9 _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 5.57 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 77.91 _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 291.15 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.2M ammonium acetate, 0.1M sodium acetate pH4.0, 15%(w/v) PEG4000' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'ADSC QUANTUM 315r' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2013-09-10 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.07138 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'SSRF BEAMLINE BL17U' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.07138 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BL17U _diffrn_source.pdbx_synchrotron_site SSRF # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 4YY9 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.6 _reflns.d_resolution_low 50 _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 36901 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 99.9 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 7.3 _reflns.pdbx_Rmerge_I_obs 0.109 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 19.4 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.6 _reflns_shell.d_res_low 2.69 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 5.3 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 99.9 _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 0.554 _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 7.6 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.B_iso_max ? _refine.B_iso_mean ? _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 4YY9 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 2.601 _refine.ls_d_res_low 47.226 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 36901 _refine.ls_number_reflns_R_free 1844 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.87 _refine.ls_percent_reflns_R_free 5.00 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1931 _refine.ls_R_factor_R_free 0.2247 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.1914 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.38 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_R_Free_selection_details ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error 22.73 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML 0.28 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3938 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 188 _refine_hist.number_atoms_total 4126 _refine_hist.d_res_high 2.601 _refine_hist.d_res_low 47.226 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.007 ? 4038 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 1.047 ? 5477 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 14.001 ? 1466 ? f_dihedral_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.044 ? 601 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.004 ? 706 ? f_plane_restr ? ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.R_factor_R_work _refine_ls_shell.redundancy_reflns_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.wR_factor_all _refine_ls_shell.wR_factor_obs _refine_ls_shell.wR_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.pdbx_phase_error _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free 'X-RAY DIFFRACTION' 2.6011 2.6714 . . 138 2662 99.00 . . . 0.2624 . 0.2187 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.6714 2.7500 . . 124 2710 100.00 . . . 0.2332 . 0.2012 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.7500 2.8388 . . 136 2701 100.00 . . . 0.2458 . 0.2055 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.8388 2.9402 . . 129 2702 100.00 . . . 0.2654 . 0.2044 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.9402 3.0579 . . 130 2694 100.00 . . . 0.2354 . 0.1944 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.0579 3.1971 . . 152 2678 100.00 . . . 0.2053 . 0.1884 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.1971 3.3656 . . 130 2719 100.00 . . . 0.2182 . 0.1945 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.3656 3.5764 . . 141 2709 100.00 . . . 0.2635 . 0.1952 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.5764 3.8524 . . 132 2698 100.00 . . . 0.2439 . 0.1831 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.8524 4.2399 . . 158 2695 100.00 . . . 0.2106 . 0.1659 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.2399 4.8528 . . 166 2673 100.00 . . . 0.1806 . 0.1604 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.8528 6.1120 . . 142 2706 100.00 . . . 0.1947 . 0.1921 . . . . . . . . . . 'X-RAY DIFFRACTION' 6.1120 47.2338 . . 166 2710 99.00 . . . 0.2553 . 0.2266 . . . . . . . . . . # _struct.entry_id 4YY9 _struct.title 'The structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013)' _struct.pdbx_descriptor 'HA1, HA2' _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 4YY9 _struct_keywords.text 'Hemagglutinin, IMMUNE SYSTEM' _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 4 ? H N N 5 ? I N N 5 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 THR A 56 ? GLY A 63 ? THR A 56 GLY A 63 1 ? 8 HELX_P HELX_P2 AA2 ASN A 64 ? ASP A 68 ? ASN A 64 ASP A 68 5 ? 5 HELX_P HELX_P3 AA3 GLU A 97 ? SER A 107 ? GLU A 97 SER A 107 1 ? 11 HELX_P HELX_P4 AA4 PRO A 118 ? TRP A 122 ? PRO A 118 TRP A 122 5 ? 5 HELX_P HELX_P5 AA5 ASP A 185 ? GLY A 194 ? ASP A 185 GLY A 194 1 ? 10 HELX_P HELX_P6 AA6 ASP B 37 ? MET B 59 ? ASP B 366 MET B 388 1 ? 23 HELX_P HELX_P7 AA7 GLU B 74 ? ARG B 127 ? GLU B 403 ARG B 456 1 ? 54 HELX_P HELX_P8 AA8 ASP B 145 ? ASN B 154 ? ASP B 474 ASN B 483 1 ? 10 # _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 4 SG ? ? ? 1_555 B CYS 137 SG ? ? A CYS 4 B CYS 466 1_555 ? ? ? ? ? ? ? 2.051 ? disulf2 disulf ? ? A CYS 42 SG ? ? ? 1_555 A CYS 277 SG ? ? A CYS 42 A CYS 277 1_555 ? ? ? ? ? ? ? 2.040 ? disulf3 disulf ? ? A CYS 55 SG ? ? ? 1_555 A CYS 67 SG ? ? A CYS 55 A CYS 67 1_555 ? ? ? ? ? ? ? 2.050 ? disulf4 disulf ? ? A CYS 90 SG ? ? ? 1_555 A CYS 135 SG ? ? A CYS 90 A CYS 135 1_555 ? ? ? ? ? ? ? 2.052 ? disulf5 disulf ? ? A CYS 281 SG ? ? ? 1_555 A CYS 305 SG ? ? A CYS 281 A CYS 305 1_555 ? ? ? ? ? ? ? 2.038 ? disulf6 disulf ? ? B CYS 144 SG ? ? ? 1_555 B CYS 148 SG ? ? B CYS 473 B CYS 477 1_555 ? ? ? ? ? ? ? 2.051 ? covale1 covale one ? A ASN 23 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 23 A NAG 601 1_555 ? ? ? ? ? ? ? 1.436 ? covale2 covale one ? A ASN 167 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 167 A NAG 602 1_555 ? ? ? ? ? ? ? 1.421 ? covale3 covale one ? B ASN 154 ND2 ? ? ? 1_555 E NAG . C1 ? ? B ASN 483 B NAG 501 1_555 ? ? ? ? ? ? ? 1.450 ? covale4 covale both ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? B NAG 501 B NAG 502 1_555 ? ? ? ? ? ? ? 1.447 ? covale5 covale both ? F NAG . O4 ? ? ? 1_555 G BMA . C1 ? ? B NAG 502 B BMA 503 1_555 ? ? ? ? ? ? ? 1.446 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 5 ? AA2 ? 2 ? AA3 ? 2 ? AA4 ? 3 ? AA5 ? 2 ? AA6 ? 3 ? AA7 ? 6 ? AA8 ? 6 ? AA9 ? 4 ? AB1 ? 3 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA2 1 2 ? anti-parallel AA3 1 2 ? anti-parallel AA4 1 2 ? parallel AA4 2 3 ? parallel AA5 1 2 ? parallel AA6 1 2 ? parallel AA6 2 3 ? parallel AA7 1 2 ? anti-parallel AA7 2 3 ? anti-parallel AA7 3 4 ? anti-parallel AA7 4 5 ? anti-parallel AA7 5 6 ? parallel AA8 1 2 ? anti-parallel AA8 2 3 ? anti-parallel AA8 3 4 ? anti-parallel AA8 4 5 ? anti-parallel AA8 5 6 ? anti-parallel AA9 1 2 ? anti-parallel AA9 2 3 ? anti-parallel AA9 3 4 ? anti-parallel AB1 1 2 ? anti-parallel AB1 2 3 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 GLY B 31 ? ALA B 36 ? GLY B 360 ALA B 365 AA1 2 TYR B 22 ? ASN B 28 ? TYR B 351 ASN B 357 AA1 3 LYS A 2 ? TYR A 7 ? LYS A 2 TYR A 7 AA1 4 CYS B 137 ? PHE B 140 ? CYS B 466 PHE B 469 AA1 5 ALA B 130 ? ASP B 132 ? ALA B 459 ASP B 461 AA2 1 GLN A 15 ? VAL A 16 ? GLN A 15 VAL A 16 AA2 2 VAL A 24 ? THR A 25 ? VAL A 24 THR A 25 AA3 1 SER A 29 ? GLU A 31 ? SER A 29 GLU A 31 AA3 2 ARG A 315 ? ALA A 317 ? ARG A 315 ALA A 317 AA4 1 LEU A 33 ? GLU A 34 ? LEU A 33 GLU A 34 AA4 2 PHE A 294 ? GLN A 295 ? PHE A 294 GLN A 295 AA4 3 LYS A 307 ? TYR A 308 ? LYS A 307 TYR A 308 AA5 1 PHE A 41 ? ILE A 44 ? PHE A 41 ILE A 44 AA5 2 ILE A 274 ? ALA A 279 ? ILE A 274 ALA A 279 AA6 1 LEU A 50 ? ASP A 51 ? LEU A 50 ASP A 51 AA6 2 ILE A 79 ? GLU A 81 ? ILE A 79 GLU A 81 AA6 3 VAL A 267 ? LYS A 269 ? VAL A 267 LYS A 269 AA7 1 GLN A 74 ? SER A 75 ? GLN A 74 SER A 75 AA7 2 GLY A 108 ? GLU A 115 ? GLY A 108 GLU A 115 AA7 3 TYR A 254 ? SER A 260 ? TYR A 254 SER A 260 AA7 4 ILE A 174 ? HIS A 182 ? ILE A 174 HIS A 182 AA7 5 ARG A 227 ? LEU A 235 ? ARG A 227 LEU A 235 AA7 6 GLY A 93 ? LEU A 95 ? GLY A 93 LEU A 95 AA8 1 GLN A 74 ? SER A 75 ? GLN A 74 SER A 75 AA8 2 GLY A 108 ? GLU A 115 ? GLY A 108 GLU A 115 AA8 3 TYR A 254 ? SER A 260 ? TYR A 254 SER A 260 AA8 4 ILE A 174 ? HIS A 182 ? ILE A 174 HIS A 182 AA8 5 LEU A 249 ? PRO A 252 ? LEU A 249 PRO A 252 AA8 6 LEU A 148 ? TRP A 150 ? LEU A 148 TRP A 150 AA9 1 ILE A 162 ? ASN A 167 ? ILE A 162 ASN A 167 AA9 2 THR A 240 ? SER A 245 ? THR A 240 SER A 245 AA9 3 VAL A 200 ? GLY A 203 ? VAL A 200 GLY A 203 AA9 4 ASN A 208 ? LYS A 211 ? ASN A 208 LYS A 211 AB1 1 GLY A 286 ? VAL A 287 ? GLY A 286 VAL A 287 AB1 2 CYS A 281 ? THR A 283 ? CYS A 281 THR A 283 AB1 3 TRP A 301 ? GLY A 303 ? TRP A 301 GLY A 303 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 O ALA B 35 ? O ALA B 364 N TYR B 24 ? N TYR B 353 AA1 2 3 O HIS B 25 ? O HIS B 354 N CYS A 4 ? N CYS A 4 AA1 3 4 N ILE A 3 ? N ILE A 3 O PHE B 138 ? O PHE B 467 AA1 4 5 O GLU B 139 ? O GLU B 468 N ASN B 131 ? N ASN B 460 AA2 1 2 N VAL A 16 ? N VAL A 16 O VAL A 24 ? O VAL A 24 AA3 1 2 N VAL A 30 ? N VAL A 30 O LEU A 316 ? O LEU A 316 AA4 1 2 N GLU A 34 ? N GLU A 34 O PHE A 294 ? O PHE A 294 AA4 2 3 N GLN A 295 ? N GLN A 295 O LYS A 307 ? O LYS A 307 AA5 1 2 N LYS A 43 ? N LYS A 43 O CYS A 277 ? O CYS A 277 AA6 1 2 N LEU A 50 ? N LEU A 50 O VAL A 80 ? O VAL A 80 AA6 2 3 N ILE A 79 ? N ILE A 79 O PHE A 268 ? O PHE A 268 AA7 1 2 N GLN A 74 ? N GLN A 74 O VAL A 111 ? O VAL A 111 AA7 2 3 N GLU A 112 ? N GLU A 112 O LYS A 257 ? O LYS A 257 AA7 3 4 O TYR A 256 ? O TYR A 256 N LEU A 175 ? N LEU A 175 AA7 4 5 N TRP A 178 ? N TRP A 178 O TYR A 231 ? O TYR A 231 AA7 5 6 O TYR A 230 ? O TYR A 230 N VAL A 94 ? N VAL A 94 AA8 1 2 N GLN A 74 ? N GLN A 74 O VAL A 111 ? O VAL A 111 AA8 2 3 N GLU A 112 ? N GLU A 112 O LYS A 257 ? O LYS A 257 AA8 3 4 O TYR A 256 ? O TYR A 256 N LEU A 175 ? N LEU A 175 AA8 4 5 N GLY A 179 ? N GLY A 179 O ILE A 250 ? O ILE A 250 AA8 5 6 O ALA A 251 ? O ALA A 251 N VAL A 149 ? N VAL A 149 AA9 1 2 N ILE A 162 ? N ILE A 162 O SER A 245 ? O SER A 245 AA9 2 3 O GLU A 244 ? O GLU A 244 N ARG A 201 ? N ARG A 201 AA9 3 4 N MET A 202 ? N MET A 202 O PHE A 209 ? O PHE A 209 AB1 1 2 O GLY A 286 ? O GLY A 286 N THR A 283 ? N THR A 283 AB1 2 3 N GLN A 282 ? N GLN A 282 O ILE A 302 ? O ILE A 302 # _struct_site.id AC1 _struct_site.pdbx_evidence_code Software _struct_site.pdbx_auth_asym_id B _struct_site.pdbx_auth_comp_id ASN _struct_site.pdbx_auth_seq_id 483 _struct_site.pdbx_auth_ins_code ? _struct_site.pdbx_num_residues 6 _struct_site.details 'binding site for Poly-Saccharide residues ASN B 483 through ASO B 503' # 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 GLU B 150 ? GLU B 479 . ? 1_555 ? 2 AC1 6 SER B 151 ? SER B 480 . ? 1_555 ? 3 AC1 6 VAL B 152 ? VAL B 481 . ? 1_555 ? 4 AC1 6 LYS B 153 ? LYS B 482 . ? 1_555 ? 5 AC1 6 GLY B 155 ? GLY B 484 . ? 1_555 ? 6 AC1 6 THR B 156 ? THR B 485 . ? 1_555 ? # _atom_sites.entry_id 4YY9 _atom_sites.fract_transf_matrix[1][1] 0.008780 _atom_sites.fract_transf_matrix[1][2] 0.005069 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.010138 _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] 0.006103 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ASP A 1 1 ? -37.051 37.968 -70.682 1.00 34.42 ? 1 ASP A N 1 ATOM 2 C CA . ASP A 1 1 ? -37.244 38.932 -69.599 1.00 42.64 ? 1 ASP A CA 1 ATOM 3 C C . ASP A 1 1 ? -38.246 38.403 -68.582 1.00 45.82 ? 1 ASP A C 1 ATOM 4 O O . ASP A 1 1 ? -39.321 37.911 -68.939 1.00 41.63 ? 1 ASP A O 1 ATOM 5 C CB . ASP A 1 1 ? -37.712 40.271 -70.152 1.00 48.28 ? 1 ASP A CB 1 ATOM 6 C CG . ASP A 1 1 ? -36.578 41.084 -70.750 1.00 53.78 ? 1 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 1 ? -35.474 40.526 -70.952 1.00 49.02 ? 1 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 1 ? -36.811 42.276 -71.054 1.00 55.38 ? 1 ASP A OD2 1 ATOM 9 N N . LYS A 1 2 ? -37.895 38.491 -67.307 1.00 49.48 ? 2 LYS A N 1 ATOM 10 C CA . LYS A 1 2 ? -38.755 37.920 -66.289 1.00 49.62 ? 2 LYS A CA 1 ATOM 11 C C . LYS A 1 2 ? -38.691 38.635 -64.946 1.00 45.07 ? 2 LYS A C 1 ATOM 12 O O . LYS A 1 2 ? -37.677 39.223 -64.581 1.00 44.28 ? 2 LYS A O 1 ATOM 13 C CB . LYS A 1 2 ? -38.424 36.439 -66.111 1.00 50.36 ? 2 LYS A CB 1 ATOM 14 C CG . LYS A 1 2 ? -36.977 36.162 -65.838 1.00 53.02 ? 2 LYS A CG 1 ATOM 15 C CD . LYS A 1 2 ? -36.707 34.672 -65.882 1.00 62.54 ? 2 LYS A CD 1 ATOM 16 C CE . LYS A 1 2 ? -37.337 33.966 -64.697 1.00 56.95 ? 2 LYS A CE 1 ATOM 17 N NZ . LYS A 1 2 ? -36.980 32.519 -64.700 1.00 68.73 ? 2 LYS A NZ 1 ATOM 18 N N . ILE A 1 3 ? -39.806 38.595 -64.226 1.00 38.54 ? 3 ILE A N 1 ATOM 19 C CA . ILE A 1 3 ? -39.853 39.108 -62.870 1.00 34.85 ? 3 ILE A CA 1 ATOM 20 C C . ILE A 1 3 ? -40.446 38.020 -61.982 1.00 36.32 ? 3 ILE A C 1 ATOM 21 O O . ILE A 1 3 ? -41.371 37.308 -62.376 1.00 36.85 ? 3 ILE A O 1 ATOM 22 C CB . ILE A 1 3 ? -40.663 40.424 -62.772 1.00 32.98 ? 3 ILE A CB 1 ATOM 23 C CG1 . ILE A 1 3 ? -40.478 41.068 -61.400 1.00 33.30 ? 3 ILE A CG1 1 ATOM 24 C CG2 . ILE A 1 3 ? -42.135 40.199 -63.090 1.00 33.27 ? 3 ILE A CG2 1 ATOM 25 C CD1 . ILE A 1 3 ? -40.839 42.539 -61.355 1.00 36.45 ? 3 ILE A CD1 1 ATOM 26 N N . CYS A 1 4 ? -39.868 37.863 -60.800 1.00 40.80 ? 4 CYS A N 1 ATOM 27 C CA . CYS A 1 4 ? -40.281 36.821 -59.873 1.00 38.94 ? 4 CYS A CA 1 ATOM 28 C C . CYS A 1 4 ? -40.708 37.433 -58.561 1.00 35.29 ? 4 CYS A C 1 ATOM 29 O O . CYS A 1 4 ? -40.183 38.464 -58.151 1.00 32.85 ? 4 CYS A O 1 ATOM 30 C CB . CYS A 1 4 ? -39.147 35.827 -59.623 1.00 40.71 ? 4 CYS A CB 1 ATOM 31 S SG . CYS A 1 4 ? -38.612 34.891 -61.064 1.00 50.89 ? 4 CYS A SG 1 ATOM 32 N N . ILE A 1 5 ? -41.659 36.791 -57.897 1.00 35.70 ? 5 ILE A N 1 ATOM 33 C CA . ILE A 1 5 ? -42.071 37.220 -56.570 1.00 31.99 ? 5 ILE A CA 1 ATOM 34 C C . ILE A 1 5 ? -41.501 36.210 -55.580 1.00 33.94 ? 5 ILE A C 1 ATOM 35 O O . ILE A 1 5 ? -41.511 35.002 -55.837 1.00 30.35 ? 5 ILE A O 1 ATOM 36 C CB . ILE A 1 5 ? -43.610 37.336 -56.451 1.00 33.70 ? 5 ILE A CB 1 ATOM 37 C CG1 . ILE A 1 5 ? -44.099 38.606 -57.152 1.00 34.94 ? 5 ILE A CG1 1 ATOM 38 C CG2 . ILE A 1 5 ? -44.069 37.354 -54.990 1.00 31.55 ? 5 ILE A CG2 1 ATOM 39 C CD1 . ILE A 1 5 ? -44.107 38.518 -58.653 1.00 40.90 ? 5 ILE A CD1 1 ATOM 40 N N . GLY A 1 6 ? -40.968 36.699 -54.468 1.00 27.51 ? 6 GLY A N 1 ATOM 41 C CA . GLY A 1 6 ? -40.348 35.806 -53.515 1.00 26.95 ? 6 GLY A CA 1 ATOM 42 C C . GLY A 1 6 ? -40.212 36.416 -52.145 1.00 26.73 ? 6 GLY A C 1 ATOM 43 O O . GLY A 1 6 ? -40.713 37.513 -51.875 1.00 27.24 ? 6 GLY A O 1 ATOM 44 N N . TYR A 1 7 ? -39.521 35.695 -51.276 1.00 25.51 ? 7 TYR A N 1 ATOM 45 C CA . TYR A 1 7 ? -39.428 36.094 -49.883 1.00 26.58 ? 7 TYR A CA 1 ATOM 46 C C . TYR A 1 7 ? -38.031 35.837 -49.312 1.00 26.80 ? 7 TYR A C 1 ATOM 47 O O . TYR A 1 7 ? -37.236 35.064 -49.855 1.00 27.86 ? 7 TYR A O 1 ATOM 48 C CB . TYR A 1 7 ? -40.509 35.378 -49.051 1.00 23.04 ? 7 TYR A CB 1 ATOM 49 C CG . TYR A 1 7 ? -40.596 33.882 -49.289 1.00 23.92 ? 7 TYR A CG 1 ATOM 50 C CD1 . TYR A 1 7 ? -41.383 33.365 -50.313 1.00 22.66 ? 7 TYR A CD1 1 ATOM 51 C CD2 . TYR A 1 7 ? -39.902 32.986 -48.481 1.00 25.19 ? 7 TYR A CD2 1 ATOM 52 C CE1 . TYR A 1 7 ? -41.462 32.000 -50.534 1.00 25.34 ? 7 TYR A CE1 1 ATOM 53 C CE2 . TYR A 1 7 ? -39.983 31.620 -48.686 1.00 21.96 ? 7 TYR A CE2 1 ATOM 54 C CZ . TYR A 1 7 ? -40.761 31.134 -49.715 1.00 26.80 ? 7 TYR A CZ 1 ATOM 55 O OH . TYR A 1 7 ? -40.838 29.780 -49.929 1.00 29.08 ? 7 TYR A OH 1 ATOM 56 N N . HIS A 1 8 ? -37.758 36.517 -48.209 1.00 26.49 ? 8 HIS A N 1 ATOM 57 C CA . HIS A 1 8 ? -36.475 36.503 -47.525 1.00 28.62 ? 8 HIS A CA 1 ATOM 58 C C . HIS A 1 8 ? -36.126 35.155 -46.877 1.00 31.21 ? 8 HIS A C 1 ATOM 59 O O . HIS A 1 8 ? -36.968 34.515 -46.247 1.00 30.97 ? 8 HIS A O 1 ATOM 60 C CB . HIS A 1 8 ? -36.509 37.607 -46.470 1.00 28.03 ? 8 HIS A CB 1 ATOM 61 C CG . HIS A 1 8 ? -35.256 37.750 -45.670 1.00 34.39 ? 8 HIS A CG 1 ATOM 62 N ND1 . HIS A 1 8 ? -34.076 38.222 -46.208 1.00 32.36 ? 8 HIS A ND1 1 ATOM 63 C CD2 . HIS A 1 8 ? -35.011 37.534 -44.355 1.00 31.88 ? 8 HIS A CD2 1 ATOM 64 C CE1 . HIS A 1 8 ? -33.154 38.269 -45.263 1.00 36.78 ? 8 HIS A CE1 1 ATOM 65 N NE2 . HIS A 1 8 ? -33.695 37.857 -44.128 1.00 36.05 ? 8 HIS A NE2 1 ATOM 66 N N . ALA A 1 9 ? -34.881 34.727 -47.053 1.00 31.47 ? 9 ALA A N 1 ATOM 67 C CA . ALA A 1 9 ? -34.307 33.634 -46.276 1.00 29.71 ? 9 ALA A CA 1 ATOM 68 C C . ALA A 1 9 ? -32.971 34.124 -45.743 1.00 33.27 ? 9 ALA A C 1 ATOM 69 O O . ALA A 1 9 ? -32.412 35.084 -46.280 1.00 36.27 ? 9 ALA A O 1 ATOM 70 C CB . ALA A 1 9 ? -34.141 32.378 -47.118 1.00 29.36 ? 9 ALA A CB 1 ATOM 71 N N . ASN A 1 10 ? -32.471 33.501 -44.681 1.00 29.65 ? 10 ASN A N 1 ATOM 72 C CA . ASN A 1 10 ? -31.189 33.900 -44.106 1.00 28.48 ? 10 ASN A CA 1 ATOM 73 C C . ASN A 1 10 ? -30.503 32.711 -43.440 1.00 31.62 ? 10 ASN A C 1 ATOM 74 O O . ASN A 1 10 ? -30.841 31.562 -43.732 1.00 35.93 ? 10 ASN A O 1 ATOM 75 C CB . ASN A 1 10 ? -31.360 35.066 -43.121 1.00 27.97 ? 10 ASN A CB 1 ATOM 76 C CG . ASN A 1 10 ? -32.251 34.728 -41.920 1.00 33.78 ? 10 ASN A CG 1 ATOM 77 O OD1 . ASN A 1 10 ? -32.449 33.564 -41.570 1.00 32.91 ? 10 ASN A OD1 1 ATOM 78 N ND2 . ASN A 1 10 ? -32.766 35.763 -41.267 1.00 25.52 ? 10 ASN A ND2 1 ATOM 79 N N . ASN A 1 11 ? -29.545 32.967 -42.554 1.00 29.35 ? 11 ASN A N 1 ATOM 80 C CA . ASN A 1 11 ? -28.774 31.865 -41.975 1.00 37.46 ? 11 ASN A CA 1 ATOM 81 C C . ASN A 1 11 ? -29.257 31.455 -40.582 1.00 35.88 ? 11 ASN A C 1 ATOM 82 O O . ASN A 1 11 ? -28.566 30.734 -39.868 1.00 37.19 ? 11 ASN A O 1 ATOM 83 C CB . ASN A 1 11 ? -27.279 32.220 -41.924 1.00 35.73 ? 11 ASN A CB 1 ATOM 84 C CG . ASN A 1 11 ? -26.987 33.431 -41.053 1.00 46.28 ? 11 ASN A CG 1 ATOM 85 O OD1 . ASN A 1 11 ? -27.889 34.016 -40.452 1.00 43.90 ? 11 ASN A OD1 1 ATOM 86 N ND2 . ASN A 1 11 ? -25.713 33.810 -40.976 1.00 57.16 ? 11 ASN A ND2 1 ATOM 87 N N . SER A 1 12 ? -30.443 31.919 -40.208 1.00 38.08 ? 12 SER A N 1 ATOM 88 C CA . SER A 1 12 ? -31.015 31.632 -38.897 1.00 36.15 ? 12 SER A CA 1 ATOM 89 C C . SER A 1 12 ? -31.253 30.143 -38.662 1.00 33.84 ? 12 SER A C 1 ATOM 90 O O . SER A 1 12 ? -31.691 29.426 -39.563 1.00 33.48 ? 12 SER A O 1 ATOM 91 C CB . SER A 1 12 ? -32.328 32.393 -38.725 1.00 36.76 ? 12 SER A CB 1 ATOM 92 O OG . SER A 1 12 ? -33.046 31.916 -37.607 1.00 40.34 ? 12 SER A OG 1 ATOM 93 N N . THR A 1 13 ? -30.941 29.684 -37.449 1.00 35.53 ? 13 THR A N 1 ATOM 94 C CA . THR A 1 13 ? -31.271 28.322 -37.020 1.00 34.87 ? 13 THR A CA 1 ATOM 95 C C . THR A 1 13 ? -32.195 28.372 -35.801 1.00 36.46 ? 13 THR A C 1 ATOM 96 O O . THR A 1 13 ? -32.538 27.346 -35.214 1.00 36.63 ? 13 THR A O 1 ATOM 97 C CB . THR A 1 13 ? -30.014 27.507 -36.672 1.00 37.65 ? 13 THR A CB 1 ATOM 98 O OG1 . THR A 1 13 ? -29.294 28.178 -35.633 1.00 40.34 ? 13 THR A OG1 1 ATOM 99 C CG2 . THR A 1 13 ? -29.111 27.352 -37.899 1.00 37.58 ? 13 THR A CG2 1 ATOM 100 N N . THR A 1 14 ? -32.586 29.585 -35.426 1.00 34.60 ? 14 THR A N 1 ATOM 101 C CA . THR A 1 14 ? -33.496 29.799 -34.316 1.00 34.85 ? 14 THR A CA 1 ATOM 102 C C . THR A 1 14 ? -34.907 29.286 -34.649 1.00 38.92 ? 14 THR A C 1 ATOM 103 O O . THR A 1 14 ? -35.454 29.572 -35.723 1.00 35.92 ? 14 THR A O 1 ATOM 104 C CB . THR A 1 14 ? -33.559 31.282 -33.953 1.00 38.49 ? 14 THR A CB 1 ATOM 105 O OG1 . THR A 1 14 ? -32.235 31.755 -33.668 1.00 44.79 ? 14 THR A OG1 1 ATOM 106 C CG2 . THR A 1 14 ? -34.422 31.479 -32.739 1.00 35.82 ? 14 THR A CG2 1 ATOM 107 N N . GLN A 1 15 ? -35.487 28.521 -33.728 1.00 29.70 ? 15 GLN A N 1 ATOM 108 C CA . GLN A 1 15 ? -36.759 27.863 -33.985 1.00 29.92 ? 15 GLN A CA 1 ATOM 109 C C . GLN A 1 15 ? -37.860 28.319 -33.037 1.00 30.01 ? 15 GLN A C 1 ATOM 110 O O . GLN A 1 15 ? -37.589 28.781 -31.924 1.00 28.07 ? 15 GLN A O 1 ATOM 111 C CB . GLN A 1 15 ? -36.590 26.345 -33.905 1.00 29.90 ? 15 GLN A CB 1 ATOM 112 C CG . GLN A 1 15 ? -35.465 25.809 -34.797 1.00 34.40 ? 15 GLN A CG 1 ATOM 113 C CD . GLN A 1 15 ? -35.400 24.291 -34.832 1.00 39.24 ? 15 GLN A CD 1 ATOM 114 O OE1 . GLN A 1 15 ? -35.665 23.617 -33.837 1.00 42.36 ? 15 GLN A OE1 1 ATOM 115 N NE2 . GLN A 1 15 ? -35.045 23.746 -35.986 1.00 43.02 ? 15 GLN A NE2 1 ATOM 116 N N . VAL A 1 16 ? -39.101 28.211 -33.504 1.00 28.72 ? 16 VAL A N 1 ATOM 117 C CA . VAL A 1 16 ? -40.280 28.459 -32.673 1.00 27.02 ? 16 VAL A CA 1 ATOM 118 C C . VAL A 1 16 ? -41.243 27.284 -32.791 1.00 25.86 ? 16 VAL A C 1 ATOM 119 O O . VAL A 1 16 ? -41.144 26.476 -33.715 1.00 24.03 ? 16 VAL A O 1 ATOM 120 C CB . VAL A 1 16 ? -41.037 29.762 -33.068 1.00 24.61 ? 16 VAL A CB 1 ATOM 121 C CG1 . VAL A 1 16 ? -40.131 30.965 -32.967 1.00 20.21 ? 16 VAL A CG1 1 ATOM 122 C CG2 . VAL A 1 16 ? -41.660 29.644 -34.478 1.00 18.60 ? 16 VAL A CG2 1 ATOM 123 N N . ASP A 1 17 ? -42.176 27.197 -31.851 1.00 29.60 ? 17 ASP A N 1 ATOM 124 C CA . ASP A 1 17 ? -43.237 26.201 -31.916 1.00 27.01 ? 17 ASP A CA 1 ATOM 125 C C . ASP A 1 17 ? -44.558 26.895 -32.260 1.00 26.42 ? 17 ASP A C 1 ATOM 126 O O . ASP A 1 17 ? -44.772 28.051 -31.890 1.00 26.01 ? 17 ASP A O 1 ATOM 127 C CB . ASP A 1 17 ? -43.359 25.446 -30.590 1.00 27.06 ? 17 ASP A CB 1 ATOM 128 C CG . ASP A 1 17 ? -42.145 24.583 -30.285 1.00 35.85 ? 17 ASP A CG 1 ATOM 129 O OD1 . ASP A 1 17 ? -41.426 24.201 -31.236 1.00 37.90 ? 17 ASP A OD1 1 ATOM 130 O OD2 . ASP A 1 17 ? -41.914 24.281 -29.085 1.00 39.04 ? 17 ASP A OD2 1 ATOM 131 N N . THR A 1 18 ? -45.427 26.197 -32.985 1.00 26.66 ? 18 THR A N 1 ATOM 132 C CA . THR A 1 18 ? -46.790 26.665 -33.244 1.00 24.58 ? 18 THR A CA 1 ATOM 133 C C . THR A 1 18 ? -47.773 25.554 -32.874 1.00 29.57 ? 18 THR A C 1 ATOM 134 O O . THR A 1 18 ? -47.362 24.428 -32.566 1.00 27.42 ? 18 THR A O 1 ATOM 135 C CB . THR A 1 18 ? -46.998 27.079 -34.722 1.00 27.11 ? 18 THR A CB 1 ATOM 136 O OG1 . THR A 1 18 ? -47.284 25.924 -35.519 1.00 27.83 ? 18 THR A OG1 1 ATOM 137 C CG2 . THR A 1 18 ? -45.757 27.767 -35.278 1.00 25.77 ? 18 THR A CG2 1 ATOM 138 N N . LEU A 1 19 ? -49.065 25.868 -32.889 1.00 30.98 ? 19 LEU A N 1 ATOM 139 C CA . LEU A 1 19 ? -50.079 24.866 -32.586 1.00 29.01 ? 19 LEU A CA 1 ATOM 140 C C . LEU A 1 19 ? -49.980 23.681 -33.552 1.00 30.18 ? 19 LEU A C 1 ATOM 141 O O . LEU A 1 19 ? -50.109 22.529 -33.145 1.00 35.11 ? 19 LEU A O 1 ATOM 142 C CB . LEU A 1 19 ? -51.482 25.481 -32.630 1.00 27.05 ? 19 LEU A CB 1 ATOM 143 C CG . LEU A 1 19 ? -51.960 26.205 -31.363 1.00 30.99 ? 19 LEU A CG 1 ATOM 144 C CD1 . LEU A 1 19 ? -53.359 26.770 -31.548 1.00 34.26 ? 19 LEU A CD1 1 ATOM 145 C CD2 . LEU A 1 19 ? -51.912 25.288 -30.133 1.00 26.73 ? 19 LEU A CD2 1 ATOM 146 N N . LEU A 1 20 ? -49.713 23.968 -34.821 1.00 30.70 ? 20 LEU A N 1 ATOM 147 C CA . LEU A 1 20 ? -49.665 22.937 -35.859 1.00 33.86 ? 20 LEU A CA 1 ATOM 148 C C . LEU A 1 20 ? -48.319 22.217 -36.011 1.00 33.45 ? 20 LEU A C 1 ATOM 149 O O . LEU A 1 20 ? -48.258 21.147 -36.606 1.00 31.74 ? 20 LEU A O 1 ATOM 150 C CB . LEU A 1 20 ? -50.036 23.549 -37.209 1.00 31.94 ? 20 LEU A CB 1 ATOM 151 C CG . LEU A 1 20 ? -51.455 24.099 -37.333 1.00 33.48 ? 20 LEU A CG 1 ATOM 152 C CD1 . LEU A 1 20 ? -51.696 24.592 -38.748 1.00 31.89 ? 20 LEU A CD1 1 ATOM 153 C CD2 . LEU A 1 20 ? -52.460 23.042 -36.943 1.00 29.83 ? 20 LEU A CD2 1 ATOM 154 N N . GLU A 1 21 ? -47.246 22.790 -35.474 1.00 31.73 ? 21 GLU A N 1 ATOM 155 C CA . GLU A 1 21 ? -45.913 22.324 -35.831 1.00 29.50 ? 21 GLU A CA 1 ATOM 156 C C . GLU A 1 21 ? -44.837 22.738 -34.834 1.00 29.49 ? 21 GLU A C 1 ATOM 157 O O . GLU A 1 21 ? -44.765 23.894 -34.429 1.00 32.30 ? 21 GLU A O 1 ATOM 158 C CB . GLU A 1 21 ? -45.561 22.853 -37.220 1.00 33.19 ? 21 GLU A CB 1 ATOM 159 C CG . GLU A 1 21 ? -44.401 22.176 -37.900 1.00 38.60 ? 21 GLU A CG 1 ATOM 160 C CD . GLU A 1 21 ? -44.183 22.701 -39.314 1.00 46.11 ? 21 GLU A CD 1 ATOM 161 O OE1 . GLU A 1 21 ? -43.165 22.321 -39.935 1.00 49.16 ? 21 GLU A OE1 1 ATOM 162 O OE2 . GLU A 1 21 ? -45.026 23.496 -39.799 1.00 45.14 ? 21 GLU A OE2 1 ATOM 163 N N . LYS A 1 22 ? -43.991 21.788 -34.453 1.00 26.42 ? 22 LYS A N 1 ATOM 164 C CA . LYS A 1 22 ? -42.876 22.067 -33.558 1.00 27.98 ? 22 LYS A CA 1 ATOM 165 C C . LYS A 1 22 ? -41.586 22.332 -34.324 1.00 27.12 ? 22 LYS A C 1 ATOM 166 O O . LYS A 1 22 ? -41.412 21.858 -35.448 1.00 29.56 ? 22 LYS A O 1 ATOM 167 C CB . LYS A 1 22 ? -42.679 20.905 -32.582 1.00 26.27 ? 22 LYS A CB 1 ATOM 168 C CG . LYS A 1 22 ? -43.767 20.818 -31.530 1.00 38.61 ? 22 LYS A CG 1 ATOM 169 C CD . LYS A 1 22 ? -43.469 19.722 -30.511 1.00 49.07 ? 22 LYS A CD 1 ATOM 170 C CE . LYS A 1 22 ? -44.406 19.807 -29.312 1.00 55.42 ? 22 LYS A CE 1 ATOM 171 N NZ . LYS A 1 22 ? -43.867 19.073 -28.120 1.00 62.21 ? 22 LYS A NZ 1 ATOM 172 N N . ASN A 1 23 ? -40.690 23.107 -33.720 1.00 36.17 ? 23 ASN A N 1 ATOM 173 C CA . ASN A 1 23 ? -39.338 23.270 -34.259 1.00 37.27 ? 23 ASN A CA 1 ATOM 174 C C . ASN A 1 23 ? -39.319 23.835 -35.683 1.00 37.59 ? 23 ASN A C 1 ATOM 175 O O . ASN A 1 23 ? -38.754 23.237 -36.595 1.00 35.75 ? 23 ASN A O 1 ATOM 176 C CB . ASN A 1 23 ? -38.597 21.926 -34.216 1.00 39.20 ? 23 ASN A CB 1 ATOM 177 C CG . ASN A 1 23 ? -38.030 21.612 -32.839 1.00 52.05 ? 23 ASN A CG 1 ATOM 178 O OD1 . ASN A 1 23 ? -37.963 22.485 -31.969 1.00 55.52 ? 23 ASN A OD1 1 ATOM 179 N ND2 . ASN A 1 23 ? -37.612 20.363 -32.641 1.00 54.13 ? 23 ASN A ND2 1 ATOM 180 N N . VAL A 1 24 ? -39.945 24.992 -35.855 1.00 32.56 ? 24 VAL A N 1 ATOM 181 C CA . VAL A 1 24 ? -39.965 25.687 -37.131 1.00 33.68 ? 24 VAL A CA 1 ATOM 182 C C . VAL A 1 24 ? -38.910 26.783 -37.146 1.00 32.78 ? 24 VAL A C 1 ATOM 183 O O . VAL A 1 24 ? -38.925 27.673 -36.296 1.00 34.31 ? 24 VAL A O 1 ATOM 184 C CB . VAL A 1 24 ? -41.348 26.296 -37.395 1.00 33.08 ? 24 VAL A CB 1 ATOM 185 C CG1 . VAL A 1 24 ? -41.377 27.027 -38.724 1.00 26.47 ? 24 VAL A CG1 1 ATOM 186 C CG2 . VAL A 1 24 ? -42.405 25.209 -37.333 1.00 32.56 ? 24 VAL A CG2 1 ATOM 187 N N . THR A 1 25 ? -37.987 26.714 -38.098 1.00 29.59 ? 25 THR A N 1 ATOM 188 C CA . THR A 1 25 ? -36.933 27.719 -38.203 1.00 30.95 ? 25 THR A CA 1 ATOM 189 C C . THR A 1 25 ? -37.503 28.980 -38.840 1.00 26.39 ? 25 THR A C 1 ATOM 190 O O . THR A 1 25 ? -38.121 28.917 -39.908 1.00 26.52 ? 25 THR A O 1 ATOM 191 C CB . THR A 1 25 ? -35.718 27.212 -39.040 1.00 29.37 ? 25 THR A CB 1 ATOM 192 O OG1 . THR A 1 25 ? -35.313 25.919 -38.582 1.00 33.82 ? 25 THR A OG1 1 ATOM 193 C CG2 . THR A 1 25 ? -34.541 28.162 -38.917 1.00 26.86 ? 25 THR A CG2 1 ATOM 194 N N . VAL A 1 26 ? -37.298 30.116 -38.181 1.00 24.54 ? 26 VAL A N 1 ATOM 195 C CA . VAL A 1 26 ? -37.812 31.392 -38.672 1.00 29.32 ? 26 VAL A CA 1 ATOM 196 C C . VAL A 1 26 ? -36.697 32.417 -38.842 1.00 29.06 ? 26 VAL A C 1 ATOM 197 O O . VAL A 1 26 ? -35.691 32.373 -38.146 1.00 29.83 ? 26 VAL A O 1 ATOM 198 C CB . VAL A 1 26 ? -38.908 31.982 -37.726 1.00 26.57 ? 26 VAL A CB 1 ATOM 199 C CG1 . VAL A 1 26 ? -40.172 31.125 -37.767 1.00 20.92 ? 26 VAL A CG1 1 ATOM 200 C CG2 . VAL A 1 26 ? -38.384 32.134 -36.307 1.00 21.00 ? 26 VAL A CG2 1 ATOM 201 N N . THR A 1 27 ? -36.896 33.351 -39.765 1.00 29.69 ? 27 THR A N 1 ATOM 202 C CA . THR A 1 27 ? -35.870 34.327 -40.109 1.00 30.18 ? 27 THR A CA 1 ATOM 203 C C . THR A 1 27 ? -35.607 35.311 -38.977 1.00 31.90 ? 27 THR A C 1 ATOM 204 O O . THR A 1 27 ? -34.466 35.712 -38.746 1.00 36.05 ? 27 THR A O 1 ATOM 205 C CB . THR A 1 27 ? -36.251 35.112 -41.394 1.00 28.75 ? 27 THR A CB 1 ATOM 206 O OG1 . THR A 1 27 ? -37.447 35.879 -41.171 1.00 25.12 ? 27 THR A OG1 1 ATOM 207 C CG2 . THR A 1 27 ? -36.456 34.149 -42.558 1.00 25.14 ? 27 THR A CG2 1 ATOM 208 N N . HIS A 1 28 ? -36.669 35.707 -38.284 1.00 30.78 ? 28 HIS A N 1 ATOM 209 C CA . HIS A 1 28 ? -36.555 36.603 -37.140 1.00 26.92 ? 28 HIS A CA 1 ATOM 210 C C . HIS A 1 28 ? -37.504 36.165 -36.039 1.00 29.33 ? 28 HIS A C 1 ATOM 211 O O . HIS A 1 28 ? -38.565 35.599 -36.298 1.00 30.62 ? 28 HIS A O 1 ATOM 212 C CB . HIS A 1 28 ? -36.850 38.049 -37.540 1.00 23.11 ? 28 HIS A CB 1 ATOM 213 C CG . HIS A 1 28 ? -36.038 38.528 -38.703 1.00 34.23 ? 28 HIS A CG 1 ATOM 214 N ND1 . HIS A 1 28 ? -36.388 38.271 -40.012 1.00 31.25 ? 28 HIS A ND1 1 ATOM 215 C CD2 . HIS A 1 28 ? -34.879 39.226 -38.747 1.00 26.22 ? 28 HIS A CD2 1 ATOM 216 C CE1 . HIS A 1 28 ? -35.486 38.809 -40.815 1.00 30.73 ? 28 HIS A CE1 1 ATOM 217 N NE2 . HIS A 1 28 ? -34.559 39.387 -40.074 1.00 30.58 ? 28 HIS A NE2 1 ATOM 218 N N . SER A 1 29 ? -37.116 36.439 -34.807 1.00 29.34 ? 29 SER A N 1 ATOM 219 C CA . SER A 1 29 ? -37.919 36.083 -33.653 1.00 30.16 ? 29 SER A CA 1 ATOM 220 C C . SER A 1 29 ? -37.406 36.811 -32.422 1.00 28.06 ? 29 SER A C 1 ATOM 221 O O . SER A 1 29 ? -36.296 37.337 -32.412 1.00 30.56 ? 29 SER A O 1 ATOM 222 C CB . SER A 1 29 ? -37.910 34.573 -33.424 1.00 28.25 ? 29 SER A CB 1 ATOM 223 O OG . SER A 1 29 ? -36.604 34.100 -33.195 1.00 25.64 ? 29 SER A OG 1 ATOM 224 N N . VAL A 1 30 ? -38.236 36.865 -31.391 1.00 32.40 ? 30 VAL A N 1 ATOM 225 C CA . VAL A 1 30 ? -37.857 37.521 -30.156 1.00 31.68 ? 30 VAL A CA 1 ATOM 226 C C . VAL A 1 30 ? -38.229 36.624 -28.980 1.00 34.54 ? 30 VAL A C 1 ATOM 227 O O . VAL A 1 30 ? -39.324 36.048 -28.943 1.00 32.84 ? 30 VAL A O 1 ATOM 228 C CB . VAL A 1 30 ? -38.523 38.908 -30.033 1.00 32.07 ? 30 VAL A CB 1 ATOM 229 C CG1 . VAL A 1 30 ? -40.015 38.810 -30.285 1.00 32.11 ? 30 VAL A CG1 1 ATOM 230 C CG2 . VAL A 1 30 ? -38.232 39.532 -28.677 1.00 35.42 ? 30 VAL A CG2 1 ATOM 231 N N . GLU A 1 31 ? -37.288 36.480 -28.049 1.00 34.43 ? 31 GLU A N 1 ATOM 232 C CA . GLU A 1 31 ? -37.489 35.725 -26.818 1.00 31.23 ? 31 GLU A CA 1 ATOM 233 C C . GLU A 1 31 ? -38.052 36.638 -25.734 1.00 34.23 ? 31 GLU A C 1 ATOM 234 O O . GLU A 1 31 ? -37.505 37.714 -25.471 1.00 35.72 ? 31 GLU A O 1 ATOM 235 C CB . GLU A 1 31 ? -36.171 35.091 -26.354 1.00 33.56 ? 31 GLU A CB 1 ATOM 236 C CG . GLU A 1 31 ? -36.232 34.461 -24.960 1.00 35.39 ? 31 GLU A CG 1 ATOM 237 C CD . GLU A 1 31 ? -37.205 33.294 -24.886 1.00 36.66 ? 31 GLU A CD 1 ATOM 238 O OE1 . GLU A 1 31 ? -38.295 33.466 -24.297 1.00 36.52 ? 31 GLU A OE1 1 ATOM 239 O OE2 . GLU A 1 31 ? -36.887 32.208 -25.416 1.00 32.21 ? 31 GLU A OE2 1 ATOM 240 N N . LEU A 1 32 ? -39.144 36.212 -25.105 1.00 33.48 ? 32 LEU A N 1 ATOM 241 C CA . LEU A 1 32 ? -39.850 37.066 -24.151 1.00 29.76 ? 32 LEU A CA 1 ATOM 242 C C . LEU A 1 32 ? -39.529 36.719 -22.709 1.00 31.09 ? 32 LEU A C 1 ATOM 243 O O . LEU A 1 32 ? -39.912 37.446 -21.793 1.00 32.64 ? 32 LEU A O 1 ATOM 244 C CB . LEU A 1 32 ? -41.362 36.972 -24.364 1.00 27.77 ? 32 LEU A CB 1 ATOM 245 C CG . LEU A 1 32 ? -41.929 37.258 -25.755 1.00 31.23 ? 32 LEU A CG 1 ATOM 246 C CD1 . LEU A 1 32 ? -43.418 36.924 -25.782 1.00 32.05 ? 32 LEU A CD1 1 ATOM 247 C CD2 . LEU A 1 32 ? -41.686 38.695 -26.190 1.00 27.06 ? 32 LEU A CD2 1 ATOM 248 N N . LEU A 1 33 ? -38.838 35.604 -22.506 1.00 30.49 ? 33 LEU A N 1 ATOM 249 C CA . LEU A 1 33 ? -38.577 35.101 -21.165 1.00 29.89 ? 33 LEU A CA 1 ATOM 250 C C . LEU A 1 33 ? -37.105 35.201 -20.774 1.00 34.05 ? 33 LEU A C 1 ATOM 251 O O . LEU A 1 33 ? -36.227 34.857 -21.565 1.00 36.22 ? 33 LEU A O 1 ATOM 252 C CB . LEU A 1 33 ? -39.042 33.646 -21.053 1.00 32.40 ? 33 LEU A CB 1 ATOM 253 C CG . LEU A 1 33 ? -38.944 32.978 -19.677 1.00 30.00 ? 33 LEU A CG 1 ATOM 254 C CD1 . LEU A 1 33 ? -40.088 32.011 -19.517 1.00 25.99 ? 33 LEU A CD1 1 ATOM 255 C CD2 . LEU A 1 33 ? -37.611 32.252 -19.509 1.00 28.55 ? 33 LEU A CD2 1 ATOM 256 N N . GLU A 1 34 ? -36.852 35.648 -19.541 1.00 38.67 ? 34 GLU A N 1 ATOM 257 C CA . GLU A 1 34 ? -35.505 35.654 -18.967 1.00 36.28 ? 34 GLU A CA 1 ATOM 258 C C . GLU A 1 34 ? -35.256 34.492 -18.007 1.00 34.72 ? 34 GLU A C 1 ATOM 259 O O . GLU A 1 34 ? -35.997 34.300 -17.052 1.00 35.61 ? 34 GLU A O 1 ATOM 260 C CB . GLU A 1 34 ? -35.225 36.966 -18.225 1.00 39.89 ? 34 GLU A CB 1 ATOM 261 C CG . GLU A 1 34 ? -33.771 37.084 -17.739 1.00 41.35 ? 34 GLU A CG 1 ATOM 262 C CD . GLU A 1 34 ? -32.761 36.786 -18.849 1.00 48.44 ? 34 GLU A CD 1 ATOM 263 O OE1 . GLU A 1 34 ? -32.298 37.733 -19.512 1.00 52.76 ? 34 GLU A OE1 1 ATOM 264 O OE2 . GLU A 1 34 ? -32.427 35.599 -19.075 1.00 50.10 ? 34 GLU A OE2 1 ATOM 265 N N . ASN A 1 35 ? -34.197 33.727 -18.251 1.00 37.52 ? 35 ASN A N 1 ATOM 266 C CA . ASN A 1 35 ? -33.816 32.646 -17.345 1.00 35.97 ? 35 ASN A CA 1 ATOM 267 C C . ASN A 1 35 ? -32.476 32.897 -16.638 1.00 36.16 ? 35 ASN A C 1 ATOM 268 O O . ASN A 1 35 ? -31.933 31.999 -16.002 1.00 40.05 ? 35 ASN A O 1 ATOM 269 C CB . ASN A 1 35 ? -33.770 31.307 -18.094 1.00 31.54 ? 35 ASN A CB 1 ATOM 270 C CG . ASN A 1 35 ? -32.786 31.307 -19.260 1.00 39.73 ? 35 ASN A CG 1 ATOM 271 O OD1 . ASN A 1 35 ? -32.056 32.276 -19.490 1.00 42.90 ? 35 ASN A OD1 1 ATOM 272 N ND2 . ASN A 1 35 ? -32.761 30.206 -20.001 1.00 34.67 ? 35 ASN A ND2 1 ATOM 273 N N . GLN A 1 36 ? -31.983 34.114 -16.684 1.00 37.30 ? 36 GLN A N 1 ATOM 274 C CA . GLN A 1 36 ? -30.666 34.464 -16.207 1.00 39.36 ? 36 GLN A CA 1 ATOM 275 C C . GLN A 1 36 ? -30.703 35.363 -14.993 1.00 41.34 ? 36 GLN A C 1 ATOM 276 O O . GLN A 1 36 ? -31.376 36.338 -14.975 1.00 38.56 ? 36 GLN A O 1 ATOM 277 C CB . GLN A 1 36 ? -29.969 35.205 -17.316 1.00 40.59 ? 36 GLN A CB 1 ATOM 278 C CG . GLN A 1 36 ? -28.570 34.785 -17.634 1.00 51.78 ? 36 GLN A CG 1 ATOM 279 C CD . GLN A 1 36 ? -28.453 33.331 -17.928 1.00 56.56 ? 36 GLN A CD 1 ATOM 280 O OE1 . GLN A 1 36 ? -29.373 32.716 -18.383 1.00 49.79 ? 36 GLN A OE1 1 ATOM 281 N NE2 . GLN A 1 36 ? -27.307 32.780 -17.666 1.00 66.81 ? 36 GLN A NE2 1 ATOM 282 N N . LYS A 1 37 ? -29.942 35.026 -13.977 1.00 47.09 ? 37 LYS A N 1 ATOM 283 C CA . LYS A 1 37 ? -29.881 35.791 -12.726 1.00 47.77 ? 37 LYS A CA 1 ATOM 284 C C . LYS A 1 37 ? -28.442 36.104 -12.339 1.00 50.20 ? 37 LYS A C 1 ATOM 285 O O . LYS A 1 37 ? -27.535 35.336 -12.664 1.00 56.39 ? 37 LYS A O 1 ATOM 286 C CB . LYS A 1 37 ? -30.538 34.998 -11.590 1.00 42.99 ? 37 LYS A CB 1 ATOM 287 C CG . LYS A 1 37 ? -30.318 33.510 -11.777 1.00 46.12 ? 37 LYS A CG 1 ATOM 288 C CD . LYS A 1 37 ? -30.564 32.679 -10.553 1.00 42.15 ? 37 LYS A CD 1 ATOM 289 C CE . LYS A 1 37 ? -30.357 31.213 -10.915 1.00 44.19 ? 37 LYS A CE 1 ATOM 290 N NZ . LYS A 1 37 ? -30.346 30.325 -9.722 1.00 60.52 ? 37 LYS A NZ 1 ATOM 291 N N . GLU A 1 38 ? -28.232 37.214 -11.635 1.00 43.84 ? 38 GLU A N 1 ATOM 292 C CA . GLU A 1 38 ? -26.963 37.438 -10.939 1.00 43.16 ? 38 GLU A CA 1 ATOM 293 C C . GLU A 1 38 ? -27.126 36.967 -9.498 1.00 45.16 ? 38 GLU A C 1 ATOM 294 O O . GLU A 1 38 ? -27.918 37.538 -8.741 1.00 43.40 ? 38 GLU A O 1 ATOM 295 C CB . GLU A 1 38 ? -26.544 38.911 -10.976 1.00 41.14 ? 38 GLU A CB 1 ATOM 296 C CG . GLU A 1 38 ? -26.271 39.458 -12.358 1.00 45.25 ? 38 GLU A CG 1 ATOM 297 C CD . GLU A 1 38 ? -26.127 40.978 -12.381 1.00 52.87 ? 38 GLU A CD 1 ATOM 298 O OE1 . GLU A 1 38 ? -26.088 41.604 -11.298 1.00 48.43 ? 38 GLU A OE1 1 ATOM 299 O OE2 . GLU A 1 38 ? -26.054 41.552 -13.492 1.00 55.71 ? 38 GLU A OE2 1 ATOM 300 N N . LYS A 1 39 ? -26.387 35.931 -9.115 1.00 41.81 ? 39 LYS A N 1 ATOM 301 C CA . LYS A 1 39 ? -26.584 35.299 -7.810 1.00 39.87 ? 39 LYS A CA 1 ATOM 302 C C . LYS A 1 39 ? -26.041 36.147 -6.652 1.00 43.16 ? 39 LYS A C 1 ATOM 303 O O . LYS A 1 39 ? -25.037 35.798 -6.028 1.00 43.14 ? 39 LYS A O 1 ATOM 304 C CB . LYS A 1 39 ? -25.942 33.908 -7.799 1.00 38.27 ? 39 LYS A CB 1 ATOM 305 C CG . LYS A 1 39 ? -26.310 33.062 -9.004 1.00 41.11 ? 39 LYS A CG 1 ATOM 306 C CD . LYS A 1 39 ? -26.527 31.612 -8.641 1.00 48.21 ? 39 LYS A CD 1 ATOM 307 C CE . LYS A 1 39 ? -25.244 30.808 -8.747 1.00 60.25 ? 39 LYS A CE 1 ATOM 308 N NZ . LYS A 1 39 ? -25.471 29.361 -8.444 1.00 72.88 ? 39 LYS A NZ 1 ATOM 309 N N . ARG A 1 40 ? -26.727 37.251 -6.367 1.00 42.44 ? 40 ARG A N 1 ATOM 310 C CA . ARG A 1 40 ? -26.329 38.178 -5.314 1.00 41.38 ? 40 ARG A CA 1 ATOM 311 C C . ARG A 1 40 ? -27.457 39.146 -4.964 1.00 41.88 ? 40 ARG A C 1 ATOM 312 O O . ARG A 1 40 ? -28.449 39.237 -5.685 1.00 42.40 ? 40 ARG A O 1 ATOM 313 C CB . ARG A 1 40 ? -25.100 38.969 -5.740 1.00 46.50 ? 40 ARG A CB 1 ATOM 314 C CG . ARG A 1 40 ? -25.334 39.799 -6.972 1.00 46.68 ? 40 ARG A CG 1 ATOM 315 C CD . ARG A 1 40 ? -24.101 40.574 -7.350 1.00 51.87 ? 40 ARG A CD 1 ATOM 316 N NE . ARG A 1 40 ? -24.336 41.396 -8.528 1.00 56.63 ? 40 ARG A NE 1 ATOM 317 C CZ . ARG A 1 40 ? -23.552 42.396 -8.912 1.00 58.08 ? 40 ARG A CZ 1 ATOM 318 N NH1 . ARG A 1 40 ? -22.477 42.711 -8.201 1.00 62.27 ? 40 ARG A NH1 1 ATOM 319 N NH2 . ARG A 1 40 ? -23.852 43.090 -10.001 1.00 56.55 ? 40 ARG A NH2 1 ATOM 320 N N . PHE A 1 41 ? -27.292 39.870 -3.859 1.00 38.67 ? 41 PHE A N 1 ATOM 321 C CA . PHE A 1 41 ? -28.239 40.909 -3.466 1.00 40.09 ? 41 PHE A CA 1 ATOM 322 C C . PHE A 1 41 ? -27.642 42.290 -3.712 1.00 44.55 ? 41 PHE A C 1 ATOM 323 O O . PHE A 1 41 ? -26.465 42.521 -3.444 1.00 50.43 ? 41 PHE A O 1 ATOM 324 C CB . PHE A 1 41 ? -28.641 40.764 -1.993 1.00 38.80 ? 41 PHE A CB 1 ATOM 325 C CG . PHE A 1 41 ? -29.499 39.566 -1.714 1.00 40.44 ? 41 PHE A CG 1 ATOM 326 C CD1 . PHE A 1 41 ? -30.776 39.465 -2.259 1.00 38.71 ? 41 PHE A CD1 1 ATOM 327 C CD2 . PHE A 1 41 ? -29.036 38.537 -0.908 1.00 37.73 ? 41 PHE A CD2 1 ATOM 328 C CE1 . PHE A 1 41 ? -31.576 38.354 -2.005 1.00 34.53 ? 41 PHE A CE1 1 ATOM 329 C CE2 . PHE A 1 41 ? -29.830 37.428 -0.646 1.00 39.66 ? 41 PHE A CE2 1 ATOM 330 C CZ . PHE A 1 41 ? -31.100 37.336 -1.197 1.00 36.60 ? 41 PHE A CZ 1 ATOM 331 N N . CYS A 1 42 ? -28.463 43.206 -4.215 1.00 40.09 ? 42 CYS A N 1 ATOM 332 C CA . CYS A 1 42 ? -28.011 44.547 -4.555 1.00 39.28 ? 42 CYS A CA 1 ATOM 333 C C . CYS A 1 42 ? -28.918 45.583 -3.921 1.00 38.26 ? 42 CYS A C 1 ATOM 334 O O . CYS A 1 42 ? -29.881 45.243 -3.243 1.00 41.51 ? 42 CYS A O 1 ATOM 335 C CB . CYS A 1 42 ? -27.982 44.751 -6.075 1.00 37.97 ? 42 CYS A CB 1 ATOM 336 S SG . CYS A 1 42 ? -26.912 43.620 -6.976 1.00 52.16 ? 42 CYS A SG 1 ATOM 337 N N . LYS A 1 43 ? -28.604 46.849 -4.149 1.00 39.90 ? 43 LYS A N 1 ATOM 338 C CA . LYS A 1 43 ? -29.464 47.935 -3.714 1.00 46.34 ? 43 LYS A CA 1 ATOM 339 C C . LYS A 1 43 ? -30.706 48.018 -4.599 1.00 45.24 ? 43 LYS A C 1 ATOM 340 O O . LYS A 1 43 ? -30.665 47.670 -5.775 1.00 46.27 ? 43 LYS A O 1 ATOM 341 C CB . LYS A 1 43 ? -28.700 49.260 -3.743 1.00 51.38 ? 43 LYS A CB 1 ATOM 342 C CG . LYS A 1 43 ? -27.341 49.187 -3.077 1.00 56.60 ? 43 LYS A CG 1 ATOM 343 C CD . LYS A 1 43 ? -26.537 50.456 -3.284 1.00 59.19 ? 43 LYS A CD 1 ATOM 344 C CE . LYS A 1 43 ? -25.085 50.245 -2.879 1.00 72.36 ? 43 LYS A CE 1 ATOM 345 N NZ . LYS A 1 43 ? -24.231 51.425 -3.205 1.00 83.59 ? 43 LYS A NZ 1 ATOM 346 N N . ILE A 1 44 ? -31.807 48.475 -4.019 1.00 42.86 ? 44 ILE A N 1 ATOM 347 C CA . ILE A 1 44 ? -33.031 48.729 -4.756 1.00 43.63 ? 44 ILE A CA 1 ATOM 348 C C . ILE A 1 44 ? -33.403 50.189 -4.546 1.00 50.97 ? 44 ILE A C 1 ATOM 349 O O . ILE A 1 44 ? -33.486 50.642 -3.400 1.00 49.60 ? 44 ILE A O 1 ATOM 350 C CB . ILE A 1 44 ? -34.189 47.811 -4.290 1.00 45.52 ? 44 ILE A CB 1 ATOM 351 C CG1 . ILE A 1 44 ? -33.882 46.354 -4.631 1.00 40.16 ? 44 ILE A CG1 1 ATOM 352 C CG2 . ILE A 1 44 ? -35.502 48.229 -4.942 1.00 40.24 ? 44 ILE A CG2 1 ATOM 353 C CD1 . ILE A 1 44 ? -33.807 46.097 -6.125 1.00 40.28 ? 44 ILE A CD1 1 ATOM 354 N N . MET A 1 45 ? -33.615 50.920 -5.643 1.00 70.55 ? 45 MET A N 1 ATOM 355 C CA . MET A 1 45 ? -33.832 52.372 -5.594 1.00 75.62 ? 45 MET A CA 1 ATOM 356 C C . MET A 1 45 ? -32.626 53.049 -4.942 1.00 75.78 ? 45 MET A C 1 ATOM 357 O O . MET A 1 45 ? -32.764 54.045 -4.226 1.00 78.37 ? 45 MET A O 1 ATOM 358 C CB . MET A 1 45 ? -35.119 52.721 -4.831 1.00 76.57 ? 45 MET A CB 1 ATOM 359 C CG . MET A 1 45 ? -36.374 52.067 -5.384 1.00 79.44 ? 45 MET A CG 1 ATOM 360 S SD . MET A 1 45 ? -37.226 53.106 -6.590 1.00 101.55 ? 45 MET A SD 1 ATOM 361 C CE . MET A 1 45 ? -37.941 54.349 -5.516 1.00 92.04 ? 45 MET A CE 1 ATOM 362 N N . ASN A 1 46 ? -31.451 52.476 -5.189 1.00 69.81 ? 46 ASN A N 1 ATOM 363 C CA . ASN A 1 46 ? -30.191 52.905 -4.580 1.00 70.55 ? 46 ASN A CA 1 ATOM 364 C C . ASN A 1 46 ? -30.217 52.924 -3.046 1.00 68.80 ? 46 ASN A C 1 ATOM 365 O O . ASN A 1 46 ? -29.404 53.603 -2.418 1.00 66.91 ? 46 ASN A O 1 ATOM 366 C CB . ASN A 1 46 ? -29.787 54.285 -5.115 1.00 73.53 ? 46 ASN A CB 1 ATOM 367 C CG . ASN A 1 46 ? -28.324 54.336 -5.553 1.00 84.21 ? 46 ASN A CG 1 ATOM 368 O OD1 . ASN A 1 46 ? -27.423 53.902 -4.827 1.00 84.90 ? 46 ASN A OD1 1 ATOM 369 N ND2 . ASN A 1 46 ? -28.088 54.850 -6.755 1.00 85.76 ? 46 ASN A ND2 1 ATOM 370 N N . LYS A 1 47 ? -31.142 52.175 -2.449 1.00 62.97 ? 47 LYS A N 1 ATOM 371 C CA . LYS A 1 47 ? -31.148 51.979 -1.004 1.00 49.77 ? 47 LYS A CA 1 ATOM 372 C C . LYS A 1 47 ? -30.722 50.551 -0.676 1.00 51.35 ? 47 LYS A C 1 ATOM 373 O O . LYS A 1 47 ? -31.155 49.601 -1.327 1.00 52.60 ? 47 LYS A O 1 ATOM 374 C CB . LYS A 1 47 ? -32.522 52.272 -0.407 1.00 50.68 ? 47 LYS A CB 1 ATOM 375 C CG . LYS A 1 47 ? -32.524 52.240 1.131 1.00 57.66 ? 47 LYS A CG 1 ATOM 376 C CD . LYS A 1 47 ? -33.929 52.257 1.716 1.00 53.25 ? 47 LYS A CD 1 ATOM 377 C CE . LYS A 1 47 ? -34.681 53.521 1.326 1.00 65.23 ? 47 LYS A CE 1 ATOM 378 N NZ . LYS A 1 47 ? -36.011 53.596 1.999 1.00 70.00 ? 47 LYS A NZ 1 ATOM 379 N N . ALA A 1 48 ? -29.875 50.402 0.339 1.00 52.48 ? 48 ALA A N 1 ATOM 380 C CA . ALA A 1 48 ? -29.283 49.105 0.675 1.00 49.52 ? 48 ALA A CA 1 ATOM 381 C C . ALA A 1 48 ? -30.240 48.208 1.455 1.00 41.65 ? 48 ALA A C 1 ATOM 382 O O . ALA A 1 48 ? -31.127 48.698 2.150 1.00 46.12 ? 48 ALA A O 1 ATOM 383 C CB . ALA A 1 48 ? -27.990 49.306 1.472 1.00 41.20 ? 48 ALA A CB 1 ATOM 384 N N . PRO A 1 49 ? -30.064 46.884 1.333 1.00 30.38 ? 49 PRO A N 1 ATOM 385 C CA . PRO A 1 49 ? -30.809 45.946 2.177 1.00 33.67 ? 49 PRO A CA 1 ATOM 386 C C . PRO A 1 49 ? -30.191 45.803 3.571 1.00 39.89 ? 49 PRO A C 1 ATOM 387 O O . PRO A 1 49 ? -29.019 46.116 3.757 1.00 42.41 ? 49 PRO A O 1 ATOM 388 C CB . PRO A 1 49 ? -30.700 44.627 1.413 1.00 27.98 ? 49 PRO A CB 1 ATOM 389 C CG . PRO A 1 49 ? -29.399 44.728 0.713 1.00 30.34 ? 49 PRO A CG 1 ATOM 390 C CD . PRO A 1 49 ? -29.241 46.182 0.331 1.00 29.40 ? 49 PRO A CD 1 ATOM 391 N N . LEU A 1 50 ? -30.971 45.308 4.525 1.00 36.26 ? 50 LEU A N 1 ATOM 392 C CA . LEU A 1 50 ? -30.478 45.037 5.861 1.00 31.89 ? 50 LEU A CA 1 ATOM 393 C C . LEU A 1 50 ? -30.079 43.570 6.016 1.00 36.24 ? 50 LEU A C 1 ATOM 394 O O . LEU A 1 50 ? -30.931 42.686 5.996 1.00 35.99 ? 50 LEU A O 1 ATOM 395 C CB . LEU A 1 50 ? -31.539 45.413 6.900 1.00 34.58 ? 50 LEU A CB 1 ATOM 396 C CG . LEU A 1 50 ? -31.211 45.074 8.358 1.00 39.80 ? 50 LEU A CG 1 ATOM 397 C CD1 . LEU A 1 50 ? -29.935 45.797 8.795 1.00 36.69 ? 50 LEU A CD1 1 ATOM 398 C CD2 . LEU A 1 50 ? -32.377 45.409 9.285 1.00 32.10 ? 50 LEU A CD2 1 ATOM 399 N N . ASP A 1 51 ? -28.782 43.316 6.171 1.00 43.28 ? 51 ASP A N 1 ATOM 400 C CA . ASP A 1 51 ? -28.279 41.966 6.439 1.00 40.19 ? 51 ASP A CA 1 ATOM 401 C C . ASP A 1 51 ? -28.356 41.687 7.935 1.00 42.66 ? 51 ASP A C 1 ATOM 402 O O . ASP A 1 51 ? -27.877 42.476 8.746 1.00 46.08 ? 51 ASP A O 1 ATOM 403 C CB . ASP A 1 51 ? -26.836 41.815 5.948 1.00 43.47 ? 51 ASP A CB 1 ATOM 404 C CG . ASP A 1 51 ? -26.384 40.365 5.874 1.00 46.40 ? 51 ASP A CG 1 ATOM 405 O OD1 . ASP A 1 51 ? -27.102 39.472 6.377 1.00 44.79 ? 51 ASP A OD1 1 ATOM 406 O OD2 . ASP A 1 51 ? -25.295 40.120 5.315 1.00 45.82 ? 51 ASP A OD2 1 ATOM 407 N N . LEU A 1 52 ? -28.963 40.569 8.306 1.00 43.02 ? 52 LEU A N 1 ATOM 408 C CA . LEU A 1 52 ? -29.122 40.246 9.715 1.00 45.23 ? 52 LEU A CA 1 ATOM 409 C C . LEU A 1 52 ? -27.883 39.487 10.202 1.00 45.22 ? 52 LEU A C 1 ATOM 410 O O . LEU A 1 52 ? -27.619 39.425 11.404 1.00 44.70 ? 52 LEU A O 1 ATOM 411 C CB . LEU A 1 52 ? -30.492 39.601 9.967 1.00 43.47 ? 52 LEU A CB 1 ATOM 412 C CG . LEU A 1 52 ? -31.717 40.506 9.794 1.00 35.60 ? 52 LEU A CG 1 ATOM 413 C CD1 . LEU A 1 52 ? -33.000 39.798 10.203 1.00 35.72 ? 52 LEU A CD1 1 ATOM 414 C CD2 . LEU A 1 52 ? -31.564 41.796 10.569 1.00 35.43 ? 52 LEU A CD2 1 ATOM 415 N N . LYS A 1 53 ? -27.133 38.926 9.252 1.00 44.70 ? 53 LYS A N 1 ATOM 416 C CA . LYS A 1 53 ? -25.929 38.139 9.535 1.00 46.12 ? 53 LYS A CA 1 ATOM 417 C C . LYS A 1 53 ? -26.369 37.064 10.522 1.00 48.00 ? 53 LYS A C 1 ATOM 418 O O . LYS A 1 53 ? -27.309 36.320 10.264 1.00 50.18 ? 53 LYS A O 1 ATOM 419 C CB . LYS A 1 53 ? -24.856 39.025 10.170 1.00 45.29 ? 53 LYS A CB 1 ATOM 420 C CG . LYS A 1 53 ? -23.917 39.659 9.170 1.00 45.55 ? 53 LYS A CG 1 ATOM 421 C CD . LYS A 1 53 ? -23.840 41.166 9.331 1.00 50.98 ? 53 LYS A CD 1 ATOM 422 C CE . LYS A 1 53 ? -22.848 41.765 8.329 1.00 54.93 ? 53 LYS A CE 1 ATOM 423 N NZ . LYS A 1 53 ? -22.636 43.237 8.519 1.00 60.82 ? 53 LYS A NZ 1 ATOM 424 N N . ASP A 1 54 ? -25.684 36.983 11.656 1.00 46.79 ? 54 ASP A N 1 ATOM 425 C CA . ASP A 1 54 ? -25.808 35.843 12.556 1.00 47.70 ? 54 ASP A CA 1 ATOM 426 C C . ASP A 1 54 ? -26.978 36.020 13.522 1.00 45.45 ? 54 ASP A C 1 ATOM 427 O O . ASP A 1 54 ? -27.167 35.223 14.436 1.00 46.82 ? 54 ASP A O 1 ATOM 428 C CB . ASP A 1 54 ? -24.503 35.627 13.324 1.00 43.94 ? 54 ASP A CB 1 ATOM 429 C CG . ASP A 1 54 ? -24.307 34.185 13.739 1.00 55.07 ? 54 ASP A CG 1 ATOM 430 O OD1 . ASP A 1 54 ? -24.875 33.292 13.071 1.00 55.46 ? 54 ASP A OD1 1 ATOM 431 O OD2 . ASP A 1 54 ? -23.581 33.941 14.729 1.00 69.63 ? 54 ASP A OD2 1 ATOM 432 N N . CYS A 1 55 ? -27.770 37.066 13.308 1.00 45.41 ? 55 CYS A N 1 ATOM 433 C CA . CYS A 1 55 ? -28.966 37.297 14.109 1.00 44.25 ? 55 CYS A CA 1 ATOM 434 C C . CYS A 1 55 ? -30.233 36.950 13.322 1.00 44.63 ? 55 CYS A C 1 ATOM 435 O O . CYS A 1 55 ? -30.307 37.190 12.120 1.00 43.69 ? 55 CYS A O 1 ATOM 436 C CB . CYS A 1 55 ? -29.021 38.752 14.582 1.00 45.18 ? 55 CYS A CB 1 ATOM 437 S SG . CYS A 1 55 ? -27.786 39.206 15.848 1.00 63.39 ? 55 CYS A SG 1 ATOM 438 N N . THR A 1 56 ? -31.215 36.365 14.002 1.00 43.00 ? 56 THR A N 1 ATOM 439 C CA . THR A 1 56 ? -32.539 36.164 13.422 1.00 41.44 ? 56 THR A CA 1 ATOM 440 C C . THR A 1 56 ? -33.358 37.434 13.622 1.00 44.12 ? 56 THR A C 1 ATOM 441 O O . THR A 1 56 ? -32.916 38.353 14.312 1.00 47.23 ? 56 THR A O 1 ATOM 442 C CB . THR A 1 56 ? -33.286 34.964 14.057 1.00 47.35 ? 56 THR A CB 1 ATOM 443 O OG1 . THR A 1 56 ? -33.823 35.342 15.333 1.00 43.43 ? 56 THR A OG1 1 ATOM 444 C CG2 . THR A 1 56 ? -32.355 33.771 14.225 1.00 45.93 ? 56 THR A CG2 1 ATOM 445 N N . ILE A 1 57 ? -34.544 37.487 13.021 1.00 41.09 ? 57 ILE A N 1 ATOM 446 C CA . ILE A 1 57 ? -35.433 38.633 13.178 1.00 40.37 ? 57 ILE A CA 1 ATOM 447 C C . ILE A 1 57 ? -35.757 38.904 14.647 1.00 40.36 ? 57 ILE A C 1 ATOM 448 O O . ILE A 1 57 ? -35.723 40.051 15.094 1.00 40.28 ? 57 ILE A O 1 ATOM 449 C CB . ILE A 1 57 ? -36.748 38.434 12.384 1.00 44.14 ? 57 ILE A CB 1 ATOM 450 C CG1 . ILE A 1 57 ? -36.522 38.738 10.903 1.00 39.89 ? 57 ILE A CG1 1 ATOM 451 C CG2 . ILE A 1 57 ? -37.858 39.329 12.925 1.00 35.64 ? 57 ILE A CG2 1 ATOM 452 C CD1 . ILE A 1 57 ? -37.764 38.636 10.066 1.00 41.55 ? 57 ILE A CD1 1 ATOM 453 N N . GLU A 1 58 ? -36.052 37.848 15.400 1.00 46.79 ? 58 GLU A N 1 ATOM 454 C CA . GLU A 1 58 ? -36.392 38.000 16.812 1.00 47.61 ? 58 GLU A CA 1 ATOM 455 C C . GLU A 1 58 ? -35.215 38.531 17.630 1.00 48.50 ? 58 GLU A C 1 ATOM 456 O O . GLU A 1 58 ? -35.385 39.424 18.456 1.00 48.86 ? 58 GLU A O 1 ATOM 457 C CB . GLU A 1 58 ? -36.867 36.671 17.399 1.00 54.23 ? 58 GLU A CB 1 ATOM 458 C CG . GLU A 1 58 ? -38.074 36.080 16.698 1.00 51.63 ? 58 GLU A CG 1 ATOM 459 C CD . GLU A 1 58 ? -37.689 34.999 15.712 1.00 54.59 ? 58 GLU A CD 1 ATOM 460 O OE1 . GLU A 1 58 ? -37.067 35.333 14.679 1.00 48.15 ? 58 GLU A OE1 1 ATOM 461 O OE2 . GLU A 1 58 ? -37.997 33.814 15.979 1.00 56.70 ? 58 GLU A OE2 1 ATOM 462 N N . GLY A 1 59 ? -34.026 37.983 17.398 1.00 42.89 ? 59 GLY A N 1 ATOM 463 C CA . GLY A 1 59 ? -32.841 38.423 18.113 1.00 41.89 ? 59 GLY A CA 1 ATOM 464 C C . GLY A 1 59 ? -32.522 39.879 17.840 1.00 43.33 ? 59 GLY A C 1 ATOM 465 O O . GLY A 1 59 ? -32.158 40.625 18.745 1.00 45.17 ? 59 GLY A O 1 ATOM 466 N N . TRP A 1 60 ? -32.655 40.278 16.580 1.00 41.16 ? 60 TRP A N 1 ATOM 467 C CA . TRP A 1 60 ? -32.432 41.660 16.176 1.00 38.18 ? 60 TRP A CA 1 ATOM 468 C C . TRP A 1 60 ? -33.386 42.594 16.897 1.00 39.01 ? 60 TRP A C 1 ATOM 469 O O . TRP A 1 60 ? -32.971 43.585 17.491 1.00 42.01 ? 60 TRP A O 1 ATOM 470 C CB . TRP A 1 60 ? -32.599 41.805 14.657 1.00 34.87 ? 60 TRP A CB 1 ATOM 471 C CG . TRP A 1 60 ? -32.883 43.210 14.182 1.00 38.18 ? 60 TRP A CG 1 ATOM 472 C CD1 . TRP A 1 60 ? -32.289 44.366 14.616 1.00 43.43 ? 60 TRP A CD1 1 ATOM 473 C CD2 . TRP A 1 60 ? -33.833 43.605 13.180 1.00 39.34 ? 60 TRP A CD2 1 ATOM 474 N NE1 . TRP A 1 60 ? -32.808 45.449 13.947 1.00 36.71 ? 60 TRP A NE1 1 ATOM 475 C CE2 . TRP A 1 60 ? -33.757 45.011 13.063 1.00 38.29 ? 60 TRP A CE2 1 ATOM 476 C CE3 . TRP A 1 60 ? -34.739 42.907 12.370 1.00 37.72 ? 60 TRP A CE3 1 ATOM 477 C CZ2 . TRP A 1 60 ? -34.553 45.730 12.167 1.00 37.13 ? 60 TRP A CZ2 1 ATOM 478 C CZ3 . TRP A 1 60 ? -35.525 43.627 11.473 1.00 31.76 ? 60 TRP A CZ3 1 ATOM 479 C CH2 . TRP A 1 60 ? -35.426 45.020 11.381 1.00 35.19 ? 60 TRP A CH2 1 ATOM 480 N N . ILE A 1 61 ? -34.673 42.276 16.844 1.00 38.72 ? 61 ILE A N 1 ATOM 481 C CA . ILE A 1 61 ? -35.682 43.240 17.244 1.00 40.06 ? 61 ILE A CA 1 ATOM 482 C C . ILE A 1 61 ? -35.933 43.203 18.749 1.00 36.78 ? 61 ILE A C 1 ATOM 483 O O . ILE A 1 61 ? -36.485 44.148 19.303 1.00 39.91 ? 61 ILE A O 1 ATOM 484 C CB . ILE A 1 61 ? -37.005 43.010 16.469 1.00 37.99 ? 61 ILE A CB 1 ATOM 485 C CG1 . ILE A 1 61 ? -37.751 44.332 16.263 1.00 37.25 ? 61 ILE A CG1 1 ATOM 486 C CG2 . ILE A 1 61 ? -37.869 41.947 17.141 1.00 39.56 ? 61 ILE A CG2 1 ATOM 487 C CD1 . ILE A 1 61 ? -37.043 45.295 15.314 1.00 38.03 ? 61 ILE A CD1 1 ATOM 488 N N . LEU A 1 62 ? -35.533 42.116 19.404 1.00 36.33 ? 62 LEU A N 1 ATOM 489 C CA . LEU A 1 62 ? -35.614 42.021 20.866 1.00 43.11 ? 62 LEU A CA 1 ATOM 490 C C . LEU A 1 62 ? -34.394 42.648 21.537 1.00 43.02 ? 62 LEU A C 1 ATOM 491 O O . LEU A 1 62 ? -34.455 43.054 22.692 1.00 47.43 ? 62 LEU A O 1 ATOM 492 C CB . LEU A 1 62 ? -35.752 40.564 21.318 1.00 37.82 ? 62 LEU A CB 1 ATOM 493 C CG . LEU A 1 62 ? -37.162 39.982 21.248 1.00 38.99 ? 62 LEU A CG 1 ATOM 494 C CD1 . LEU A 1 62 ? -37.156 38.513 21.624 1.00 41.19 ? 62 LEU A CD1 1 ATOM 495 C CD2 . LEU A 1 62 ? -38.111 40.770 22.132 1.00 36.84 ? 62 LEU A CD2 1 ATOM 496 N N . GLY A 1 63 ? -33.287 42.719 20.807 1.00 39.89 ? 63 GLY A N 1 ATOM 497 C CA . GLY A 1 63 ? -32.074 43.311 21.327 1.00 43.19 ? 63 GLY A CA 1 ATOM 498 C C . GLY A 1 63 ? -31.185 42.290 22.010 1.00 48.73 ? 63 GLY A C 1 ATOM 499 O O . GLY A 1 63 ? -30.518 42.607 22.994 1.00 48.23 ? 63 GLY A O 1 ATOM 500 N N . ASN A 1 64 ? -31.213 41.060 21.505 1.00 41.57 ? 64 ASN A N 1 ATOM 501 C CA . ASN A 1 64 ? -30.256 40.019 21.877 1.00 44.03 ? 64 ASN A CA 1 ATOM 502 C C . ASN A 1 64 ? -28.843 40.605 21.928 1.00 50.45 ? 64 ASN A C 1 ATOM 503 O O . ASN A 1 64 ? -28.375 41.184 20.947 1.00 47.61 ? 64 ASN A O 1 ATOM 504 C CB . ASN A 1 64 ? -30.346 38.859 20.874 1.00 41.73 ? 64 ASN A CB 1 ATOM 505 C CG . ASN A 1 64 ? -29.442 37.683 21.214 1.00 48.81 ? 64 ASN A CG 1 ATOM 506 O OD1 . ASN A 1 64 ? -28.277 37.845 21.587 1.00 58.06 ? 64 ASN A OD1 1 ATOM 507 N ND2 . ASN A 1 64 ? -29.972 36.479 21.047 1.00 43.76 ? 64 ASN A ND2 1 ATOM 508 N N . PRO A 1 65 ? -28.165 40.465 23.082 1.00 50.76 ? 65 PRO A N 1 ATOM 509 C CA . PRO A 1 65 ? -26.871 41.111 23.348 1.00 53.14 ? 65 PRO A CA 1 ATOM 510 C C . PRO A 1 65 ? -25.792 40.792 22.306 1.00 50.41 ? 65 PRO A C 1 ATOM 511 O O . PRO A 1 65 ? -24.848 41.565 22.164 1.00 53.40 ? 65 PRO A O 1 ATOM 512 C CB . PRO A 1 65 ? -26.481 40.551 24.717 1.00 52.82 ? 65 PRO A CB 1 ATOM 513 C CG . PRO A 1 65 ? -27.757 40.123 25.327 1.00 53.00 ? 65 PRO A CG 1 ATOM 514 C CD . PRO A 1 65 ? -28.583 39.611 24.204 1.00 47.06 ? 65 PRO A CD 1 ATOM 515 N N . LYS A 1 66 ? -25.941 39.683 21.586 1.00 50.68 ? 66 LYS A N 1 ATOM 516 C CA . LYS A 1 66 ? -24.994 39.307 20.540 1.00 54.78 ? 66 LYS A CA 1 ATOM 517 C C . LYS A 1 66 ? -25.364 39.897 19.168 1.00 51.47 ? 66 LYS A C 1 ATOM 518 O O . LYS A 1 66 ? -24.780 39.535 18.140 1.00 51.09 ? 66 LYS A O 1 ATOM 519 C CB . LYS A 1 66 ? -24.896 37.785 20.447 1.00 55.21 ? 66 LYS A CB 1 ATOM 520 C CG . LYS A 1 66 ? -24.213 37.132 21.636 1.00 55.31 ? 66 LYS A CG 1 ATOM 521 C CD . LYS A 1 66 ? -23.746 35.729 21.278 1.00 59.63 ? 66 LYS A CD 1 ATOM 522 C CE . LYS A 1 66 ? -23.026 35.060 22.434 1.00 62.51 ? 66 LYS A CE 1 ATOM 523 N NZ . LYS A 1 66 ? -22.520 33.712 22.048 1.00 70.86 ? 66 LYS A NZ 1 ATOM 524 N N . CYS A 1 67 ? -26.335 40.805 19.164 1.00 54.80 ? 67 CYS A N 1 ATOM 525 C CA . CYS A 1 67 ? -26.778 41.469 17.943 1.00 52.33 ? 67 CYS A CA 1 ATOM 526 C C . CYS A 1 67 ? -26.516 42.972 18.009 1.00 55.58 ? 67 CYS A C 1 ATOM 527 O O . CYS A 1 67 ? -27.184 43.753 17.330 1.00 52.68 ? 67 CYS A O 1 ATOM 528 C CB . CYS A 1 67 ? -28.268 41.211 17.703 1.00 48.81 ? 67 CYS A CB 1 ATOM 529 S SG . CYS A 1 67 ? -28.729 39.460 17.650 1.00 50.79 ? 67 CYS A SG 1 ATOM 530 N N . ASP A 1 68 ? -25.545 43.369 18.832 1.00 55.41 ? 68 ASP A N 1 ATOM 531 C CA . ASP A 1 68 ? -25.224 44.778 19.039 1.00 51.65 ? 68 ASP A CA 1 ATOM 532 C C . ASP A 1 68 ? -24.816 45.475 17.745 1.00 48.95 ? 68 ASP A C 1 ATOM 533 O O . ASP A 1 68 ? -24.966 46.695 17.624 1.00 46.84 ? 68 ASP A O 1 ATOM 534 C CB . ASP A 1 68 ? -24.106 44.932 20.076 1.00 56.61 ? 68 ASP A CB 1 ATOM 535 C CG . ASP A 1 68 ? -24.587 44.726 21.511 1.00 65.43 ? 68 ASP A CG 1 ATOM 536 O OD1 . ASP A 1 68 ? -25.815 44.681 21.754 1.00 62.84 ? 68 ASP A OD1 1 ATOM 537 O OD2 . ASP A 1 68 ? -23.722 44.620 22.408 1.00 72.07 ? 68 ASP A OD2 1 ATOM 538 N N . LEU A 1 69 ? -24.300 44.707 16.785 1.00 38.56 ? 69 LEU A N 1 ATOM 539 C CA . LEU A 1 69 ? -23.945 45.256 15.474 1.00 42.03 ? 69 LEU A CA 1 ATOM 540 C C . LEU A 1 69 ? -25.140 45.928 14.801 1.00 42.72 ? 69 LEU A C 1 ATOM 541 O O . LEU A 1 69 ? -25.001 46.956 14.134 1.00 37.85 ? 69 LEU A O 1 ATOM 542 C CB . LEU A 1 69 ? -23.392 44.163 14.557 1.00 42.80 ? 69 LEU A CB 1 ATOM 543 C CG . LEU A 1 69 ? -23.135 44.566 13.098 1.00 52.81 ? 69 LEU A CG 1 ATOM 544 C CD1 . LEU A 1 69 ? -22.172 45.756 12.988 1.00 49.65 ? 69 LEU A CD1 1 ATOM 545 C CD2 . LEU A 1 69 ? -22.609 43.378 12.304 1.00 48.97 ? 69 LEU A CD2 1 ATOM 546 N N . LEU A 1 70 ? -26.315 45.339 15.001 1.00 46.11 ? 70 LEU A N 1 ATOM 547 C CA . LEU A 1 70 ? -27.541 45.802 14.367 1.00 45.69 ? 70 LEU A CA 1 ATOM 548 C C . LEU A 1 70 ? -28.247 46.876 15.181 1.00 44.23 ? 70 LEU A C 1 ATOM 549 O O . LEU A 1 70 ? -29.057 47.637 14.648 1.00 44.59 ? 70 LEU A O 1 ATOM 550 C CB . LEU A 1 70 ? -28.491 44.622 14.142 1.00 42.26 ? 70 LEU A CB 1 ATOM 551 C CG . LEU A 1 70 ? -27.971 43.504 13.245 1.00 41.58 ? 70 LEU A CG 1 ATOM 552 C CD1 . LEU A 1 70 ? -28.898 42.297 13.297 1.00 41.85 ? 70 LEU A CD1 1 ATOM 553 C CD2 . LEU A 1 70 ? -27.802 44.012 11.816 1.00 40.47 ? 70 LEU A CD2 1 ATOM 554 N N . LEU A 1 71 ? -27.930 46.921 16.471 1.00 40.16 ? 71 LEU A N 1 ATOM 555 C CA . LEU A 1 71 ? -28.648 47.745 17.440 1.00 37.49 ? 71 LEU A CA 1 ATOM 556 C C . LEU A 1 71 ? -28.747 49.212 17.053 1.00 36.02 ? 71 LEU A C 1 ATOM 557 O O . LEU A 1 71 ? -27.748 49.839 16.699 1.00 40.21 ? 71 LEU A O 1 ATOM 558 C CB . LEU A 1 71 ? -27.980 47.628 18.809 1.00 41.47 ? 71 LEU A CB 1 ATOM 559 C CG . LEU A 1 71 ? -28.765 48.206 19.985 1.00 41.86 ? 71 LEU A CG 1 ATOM 560 C CD1 . LEU A 1 71 ? -29.969 47.320 20.308 1.00 35.74 ? 71 LEU A CD1 1 ATOM 561 C CD2 . LEU A 1 71 ? -27.848 48.371 21.187 1.00 36.90 ? 71 LEU A CD2 1 ATOM 562 N N . GLY A 1 72 ? -29.959 49.755 17.133 1.00 38.48 ? 72 GLY A N 1 ATOM 563 C CA . GLY A 1 72 ? -30.201 51.152 16.811 1.00 36.30 ? 72 GLY A CA 1 ATOM 564 C C . GLY A 1 72 ? -31.122 51.389 15.623 1.00 39.63 ? 72 GLY A C 1 ATOM 565 O O . GLY A 1 72 ? -32.024 50.599 15.332 1.00 37.19 ? 72 GLY A O 1 ATOM 566 N N . ASP A 1 73 ? -30.896 52.507 14.943 1.00 46.62 ? 73 ASP A N 1 ATOM 567 C CA . ASP A 1 73 ? -31.657 52.871 13.757 1.00 44.95 ? 73 ASP A CA 1 ATOM 568 C C . ASP A 1 73 ? -31.238 52.047 12.542 1.00 49.39 ? 73 ASP A C 1 ATOM 569 O O . ASP A 1 73 ? -30.047 51.786 12.330 1.00 48.21 ? 73 ASP A O 1 ATOM 570 C CB . ASP A 1 73 ? -31.480 54.357 13.453 1.00 46.48 ? 73 ASP A CB 1 ATOM 571 C CG . ASP A 1 73 ? -31.787 55.235 14.646 1.00 53.33 ? 73 ASP A CG 1 ATOM 572 O OD1 . ASP A 1 73 ? -32.453 54.744 15.579 1.00 53.56 ? 73 ASP A OD1 1 ATOM 573 O OD2 . ASP A 1 73 ? -31.350 56.410 14.663 1.00 59.89 ? 73 ASP A OD2 1 ATOM 574 N N . GLN A 1 74 ? -32.221 51.639 11.744 1.00 39.49 ? 74 GLN A N 1 ATOM 575 C CA . GLN A 1 74 ? -31.943 50.968 10.474 1.00 37.51 ? 74 GLN A CA 1 ATOM 576 C C . GLN A 1 74 ? -32.874 51.458 9.370 1.00 37.86 ? 74 GLN A C 1 ATOM 577 O O . GLN A 1 74 ? -34.039 51.760 9.618 1.00 33.14 ? 74 GLN A O 1 ATOM 578 C CB . GLN A 1 74 ? -32.071 49.451 10.622 1.00 35.21 ? 74 GLN A CB 1 ATOM 579 C CG . GLN A 1 74 ? -31.046 48.810 11.548 1.00 38.82 ? 74 GLN A CG 1 ATOM 580 C CD . GLN A 1 74 ? -29.653 48.705 10.935 1.00 41.25 ? 74 GLN A CD 1 ATOM 581 O OE1 . GLN A 1 74 ? -29.423 49.096 9.787 1.00 39.19 ? 74 GLN A OE1 1 ATOM 582 N NE2 . GLN A 1 74 ? -28.719 48.148 11.700 1.00 45.93 ? 74 GLN A NE2 1 ATOM 583 N N . SER A 1 75 ? -32.336 51.554 8.158 1.00 45.10 ? 75 SER A N 1 ATOM 584 C CA . SER A 1 75 ? -33.130 51.771 6.950 1.00 40.43 ? 75 SER A CA 1 ATOM 585 C C . SER A 1 75 ? -32.838 50.646 5.973 1.00 42.68 ? 75 SER A C 1 ATOM 586 O O . SER A 1 75 ? -31.687 50.254 5.799 1.00 44.41 ? 75 SER A O 1 ATOM 587 C CB . SER A 1 75 ? -32.821 53.121 6.303 1.00 41.15 ? 75 SER A CB 1 ATOM 588 O OG . SER A 1 75 ? -33.491 54.179 6.963 1.00 49.38 ? 75 SER A OG 1 ATOM 589 N N . TRP A 1 76 ? -33.874 50.121 5.331 1.00 42.92 ? 76 TRP A N 1 ATOM 590 C CA . TRP A 1 76 ? -33.679 49.002 4.425 1.00 35.21 ? 76 TRP A CA 1 ATOM 591 C C . TRP A 1 76 ? -34.659 49.033 3.275 1.00 36.61 ? 76 TRP A C 1 ATOM 592 O O . TRP A 1 76 ? -35.790 49.495 3.421 1.00 36.00 ? 76 TRP A O 1 ATOM 593 C CB . TRP A 1 76 ? -33.799 47.679 5.188 1.00 34.51 ? 76 TRP A CB 1 ATOM 594 C CG . TRP A 1 76 ? -35.173 47.399 5.730 1.00 33.95 ? 76 TRP A CG 1 ATOM 595 C CD1 . TRP A 1 76 ? -36.176 46.720 5.102 1.00 33.65 ? 76 TRP A CD1 1 ATOM 596 C CD2 . TRP A 1 76 ? -35.694 47.788 7.007 1.00 37.24 ? 76 TRP A CD2 1 ATOM 597 N NE1 . TRP A 1 76 ? -37.285 46.660 5.905 1.00 29.23 ? 76 TRP A NE1 1 ATOM 598 C CE2 . TRP A 1 76 ? -37.019 47.309 7.081 1.00 35.88 ? 76 TRP A CE2 1 ATOM 599 C CE3 . TRP A 1 76 ? -35.171 48.496 8.096 1.00 34.08 ? 76 TRP A CE3 1 ATOM 600 C CZ2 . TRP A 1 76 ? -37.829 47.512 8.203 1.00 32.10 ? 76 TRP A CZ2 1 ATOM 601 C CZ3 . TRP A 1 76 ? -35.976 48.699 9.205 1.00 33.99 ? 76 TRP A CZ3 1 ATOM 602 C CH2 . TRP A 1 76 ? -37.292 48.207 9.249 1.00 34.60 ? 76 TRP A CH2 1 ATOM 603 N N . SER A 1 77 ? -34.200 48.555 2.123 1.00 42.56 ? 77 SER A N 1 ATOM 604 C CA . SER A 1 77 ? -35.062 48.316 0.971 1.00 37.32 ? 77 SER A CA 1 ATOM 605 C C . SER A 1 77 ? -35.714 46.943 1.102 1.00 36.54 ? 77 SER A C 1 ATOM 606 O O . SER A 1 77 ? -36.815 46.715 0.609 1.00 41.81 ? 77 SER A O 1 ATOM 607 C CB . SER A 1 77 ? -34.261 48.396 -0.320 1.00 38.52 ? 77 SER A CB 1 ATOM 608 O OG . SER A 1 77 ? -33.165 47.502 -0.275 1.00 34.77 ? 77 SER A OG 1 ATOM 609 N N . TYR A 1 78 ? -35.003 46.031 1.759 1.00 34.16 ? 78 TYR A N 1 ATOM 610 C CA . TYR A 1 78 ? -35.526 44.721 2.137 1.00 35.34 ? 78 TYR A CA 1 ATOM 611 C C . TYR A 1 78 ? -34.600 44.095 3.173 1.00 37.17 ? 78 TYR A C 1 ATOM 612 O O . TYR A 1 78 ? -33.515 44.610 3.440 1.00 36.22 ? 78 TYR A O 1 ATOM 613 C CB . TYR A 1 78 ? -35.684 43.794 0.921 1.00 29.86 ? 78 TYR A CB 1 ATOM 614 C CG . TYR A 1 78 ? -34.422 43.581 0.113 1.00 29.97 ? 78 TYR A CG 1 ATOM 615 C CD1 . TYR A 1 78 ? -34.049 44.483 -0.876 1.00 29.72 ? 78 TYR A CD1 1 ATOM 616 C CD2 . TYR A 1 78 ? -33.611 42.477 0.332 1.00 27.34 ? 78 TYR A CD2 1 ATOM 617 C CE1 . TYR A 1 78 ? -32.895 44.295 -1.618 1.00 29.31 ? 78 TYR A CE1 1 ATOM 618 C CE2 . TYR A 1 78 ? -32.461 42.278 -0.401 1.00 26.63 ? 78 TYR A CE2 1 ATOM 619 C CZ . TYR A 1 78 ? -32.107 43.191 -1.378 1.00 30.93 ? 78 TYR A CZ 1 ATOM 620 O OH . TYR A 1 78 ? -30.965 43.000 -2.120 1.00 32.82 ? 78 TYR A OH 1 ATOM 621 N N . ILE A 1 79 ? -35.035 42.978 3.743 1.00 34.02 ? 79 ILE A N 1 ATOM 622 C CA . ILE A 1 79 ? -34.305 42.299 4.795 1.00 28.59 ? 79 ILE A CA 1 ATOM 623 C C . ILE A 1 79 ? -33.819 40.927 4.329 1.00 33.93 ? 79 ILE A C 1 ATOM 624 O O . ILE A 1 79 ? -34.547 40.197 3.667 1.00 38.61 ? 79 ILE A O 1 ATOM 625 C CB . ILE A 1 79 ? -35.187 42.154 6.052 1.00 32.93 ? 79 ILE A CB 1 ATOM 626 C CG1 . ILE A 1 79 ? -35.587 43.533 6.571 1.00 31.90 ? 79 ILE A CG1 1 ATOM 627 C CG2 . ILE A 1 79 ? -34.469 41.392 7.150 1.00 33.80 ? 79 ILE A CG2 1 ATOM 628 C CD1 . ILE A 1 79 ? -36.538 43.483 7.728 1.00 30.14 ? 79 ILE A CD1 1 ATOM 629 N N . VAL A 1 80 ? -32.574 40.597 4.660 1.00 36.62 ? 80 VAL A N 1 ATOM 630 C CA . VAL A 1 80 ? -32.002 39.284 4.382 1.00 32.31 ? 80 VAL A CA 1 ATOM 631 C C . VAL A 1 80 ? -31.705 38.553 5.688 1.00 37.32 ? 80 VAL A C 1 ATOM 632 O O . VAL A 1 80 ? -30.900 39.014 6.494 1.00 40.64 ? 80 VAL A O 1 ATOM 633 C CB . VAL A 1 80 ? -30.706 39.396 3.558 1.00 39.73 ? 80 VAL A CB 1 ATOM 634 C CG1 . VAL A 1 80 ? -30.073 38.020 3.355 1.00 36.51 ? 80 VAL A CG1 1 ATOM 635 C CG2 . VAL A 1 80 ? -30.975 40.093 2.225 1.00 31.67 ? 80 VAL A CG2 1 ATOM 636 N N . GLU A 1 81 ? -32.370 37.424 5.902 1.00 40.49 ? 81 GLU A N 1 ATOM 637 C CA . GLU A 1 81 ? -32.135 36.600 7.081 1.00 41.79 ? 81 GLU A CA 1 ATOM 638 C C . GLU A 1 81 ? -31.362 35.350 6.674 1.00 46.81 ? 81 GLU A C 1 ATOM 639 O O . GLU A 1 81 ? -31.773 34.632 5.762 1.00 48.61 ? 81 GLU A O 1 ATOM 640 C CB . GLU A 1 81 ? -33.460 36.222 7.760 1.00 46.30 ? 81 GLU A CB 1 ATOM 641 C CG . GLU A 1 81 ? -33.302 35.580 9.145 1.00 54.59 ? 81 GLU A CG 1 ATOM 642 C CD . GLU A 1 81 ? -34.601 34.984 9.687 1.00 60.11 ? 81 GLU A CD 1 ATOM 643 O OE1 . GLU A 1 81 ? -34.904 35.205 10.884 1.00 53.13 ? 81 GLU A OE1 1 ATOM 644 O OE2 . GLU A 1 81 ? -35.311 34.289 8.923 1.00 65.67 ? 81 GLU A OE2 1 ATOM 645 N N . ARG A 1 82 ? -30.239 35.097 7.340 1.00 40.03 ? 82 ARG A N 1 ATOM 646 C CA . ARG A 1 82 ? -29.407 33.942 7.015 1.00 43.31 ? 82 ARG A CA 1 ATOM 647 C C . ARG A 1 82 ? -29.984 32.676 7.640 1.00 44.76 ? 82 ARG A C 1 ATOM 648 O O . ARG A 1 82 ? -30.423 32.691 8.787 1.00 50.65 ? 82 ARG A O 1 ATOM 649 C CB . ARG A 1 82 ? -27.966 34.171 7.481 1.00 42.29 ? 82 ARG A CB 1 ATOM 650 C CG . ARG A 1 82 ? -27.370 35.486 7.000 1.00 37.82 ? 82 ARG A CG 1 ATOM 651 C CD . ARG A 1 82 ? -27.476 35.618 5.500 1.00 37.88 ? 82 ARG A CD 1 ATOM 652 N NE . ARG A 1 82 ? -26.922 36.870 4.989 1.00 37.26 ? 82 ARG A NE 1 ATOM 653 C CZ . ARG A 1 82 ? -26.595 37.059 3.713 1.00 39.11 ? 82 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 82 ? -26.768 36.079 2.831 1.00 34.56 ? 82 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 82 ? -26.093 38.220 3.314 1.00 36.48 ? 82 ARG A NH2 1 ATOM 656 N N . PRO A 1 83 ? -30.004 31.577 6.876 1.00 57.06 ? 83 PRO A N 1 ATOM 657 C CA . PRO A 1 83 ? -30.604 30.314 7.326 1.00 57.99 ? 83 PRO A CA 1 ATOM 658 C C . PRO A 1 83 ? -30.007 29.764 8.618 1.00 60.80 ? 83 PRO A C 1 ATOM 659 O O . PRO A 1 83 ? -30.726 29.126 9.388 1.00 66.20 ? 83 PRO A O 1 ATOM 660 C CB . PRO A 1 83 ? -30.325 29.363 6.159 1.00 53.64 ? 83 PRO A CB 1 ATOM 661 C CG . PRO A 1 83 ? -30.257 30.253 4.978 1.00 51.77 ? 83 PRO A CG 1 ATOM 662 C CD . PRO A 1 83 ? -29.609 31.521 5.458 1.00 51.47 ? 83 PRO A CD 1 ATOM 663 N N . ASN A 1 84 ? -28.721 30.009 8.857 1.00 70.98 ? 84 ASN A N 1 ATOM 664 C CA . ASN A 1 84 ? -28.046 29.422 10.012 1.00 73.19 ? 84 ASN A CA 1 ATOM 665 C C . ASN A 1 84 ? -27.773 30.407 11.147 1.00 75.83 ? 84 ASN A C 1 ATOM 666 O O . ASN A 1 84 ? -26.935 30.144 12.011 1.00 78.79 ? 84 ASN A O 1 ATOM 667 C CB . ASN A 1 84 ? -26.731 28.773 9.569 1.00 79.29 ? 84 ASN A CB 1 ATOM 668 C CG . ASN A 1 84 ? -26.952 27.518 8.736 1.00 87.44 ? 84 ASN A CG 1 ATOM 669 O OD1 . ASN A 1 84 ? -27.870 26.736 9.000 1.00 81.99 ? 84 ASN A OD1 1 ATOM 670 N ND2 . ASN A 1 84 ? -26.109 27.321 7.724 1.00 89.25 ? 84 ASN A ND2 1 ATOM 671 N N . ALA A 1 85 ? -28.480 31.534 11.146 1.00 55.65 ? 85 ALA A N 1 ATOM 672 C CA . ALA A 1 85 ? -28.317 32.536 12.195 1.00 54.15 ? 85 ALA A CA 1 ATOM 673 C C . ALA A 1 85 ? -28.639 31.934 13.564 1.00 53.71 ? 85 ALA A C 1 ATOM 674 O O . ALA A 1 85 ? -29.706 31.353 13.754 1.00 54.12 ? 85 ALA A O 1 ATOM 675 C CB . ALA A 1 85 ? -29.201 33.743 11.916 1.00 48.30 ? 85 ALA A CB 1 ATOM 676 N N . GLN A 1 86 ? -27.718 32.075 14.515 1.00 54.86 ? 86 GLN A N 1 ATOM 677 C CA . GLN A 1 86 ? -27.857 31.401 15.810 1.00 53.14 ? 86 GLN A CA 1 ATOM 678 C C . GLN A 1 86 ? -28.442 32.305 16.893 1.00 50.01 ? 86 GLN A C 1 ATOM 679 O O . GLN A 1 86 ? -28.936 31.818 17.911 1.00 50.78 ? 86 GLN A O 1 ATOM 680 C CB . GLN A 1 86 ? -26.500 30.850 16.279 1.00 45.92 ? 86 GLN A CB 1 ATOM 681 C CG . GLN A 1 86 ? -25.823 29.882 15.304 1.00 50.92 ? 86 GLN A CG 1 ATOM 682 C CD . GLN A 1 86 ? -26.439 28.484 15.304 1.00 58.59 ? 86 GLN A CD 1 ATOM 683 O OE1 . GLN A 1 86 ? -25.975 27.592 16.011 1.00 68.58 ? 86 GLN A OE1 1 ATOM 684 N NE2 . GLN A 1 86 ? -27.483 28.291 14.506 1.00 58.30 ? 86 GLN A NE2 1 ATOM 685 N N . ASN A 1 87 ? -28.399 33.615 16.671 1.00 51.15 ? 87 ASN A N 1 ATOM 686 C CA . ASN A 1 87 ? -28.768 34.569 17.713 1.00 47.98 ? 87 ASN A CA 1 ATOM 687 C C . ASN A 1 87 ? -30.215 35.048 17.644 1.00 50.98 ? 87 ASN A C 1 ATOM 688 O O . ASN A 1 87 ? -30.501 36.105 17.084 1.00 47.35 ? 87 ASN A O 1 ATOM 689 C CB . ASN A 1 87 ? -27.830 35.773 17.662 1.00 51.29 ? 87 ASN A CB 1 ATOM 690 C CG . ASN A 1 87 ? -26.388 35.391 17.911 1.00 54.53 ? 87 ASN A CG 1 ATOM 691 O OD1 . ASN A 1 87 ? -26.098 34.532 18.747 1.00 58.51 ? 87 ASN A OD1 1 ATOM 692 N ND2 . ASN A 1 87 ? -25.475 36.005 17.167 1.00 58.76 ? 87 ASN A ND2 1 ATOM 693 N N . GLY A 1 88 ? -31.121 34.277 18.241 1.00 44.56 ? 88 GLY A N 1 ATOM 694 C CA . GLY A 1 88 ? -32.524 34.638 18.275 1.00 37.61 ? 88 GLY A CA 1 ATOM 695 C C . GLY A 1 88 ? -33.038 34.870 19.681 1.00 37.85 ? 88 GLY A C 1 ATOM 696 O O . GLY A 1 88 ? -32.572 35.752 20.392 1.00 39.64 ? 88 GLY A O 1 ATOM 697 N N . ILE A 1 89 ? -34.023 34.084 20.083 1.00 44.88 ? 89 ILE A N 1 ATOM 698 C CA . ILE A 1 89 ? -34.522 34.165 21.445 1.00 49.97 ? 89 ILE A CA 1 ATOM 699 C C . ILE A 1 89 ? -33.628 33.302 22.329 1.00 48.91 ? 89 ILE A C 1 ATOM 700 O O . ILE A 1 89 ? -33.677 32.074 22.275 1.00 53.45 ? 89 ILE A O 1 ATOM 701 C CB . ILE A 1 89 ? -35.987 33.721 21.535 1.00 46.16 ? 89 ILE A CB 1 ATOM 702 C CG1 . ILE A 1 89 ? -36.859 34.667 20.711 1.00 41.82 ? 89 ILE A CG1 1 ATOM 703 C CG2 . ILE A 1 89 ? -36.452 33.713 22.974 1.00 52.27 ? 89 ILE A CG2 1 ATOM 704 C CD1 . ILE A 1 89 ? -38.310 34.271 20.651 1.00 44.12 ? 89 ILE A CD1 1 ATOM 705 N N . CYS A 1 90 ? -32.787 33.958 23.122 1.00 51.87 ? 90 CYS A N 1 ATOM 706 C CA . CYS A 1 90 ? -31.763 33.255 23.886 1.00 61.46 ? 90 CYS A CA 1 ATOM 707 C C . CYS A 1 90 ? -32.339 32.639 25.167 1.00 57.60 ? 90 CYS A C 1 ATOM 708 O O . CYS A 1 90 ? -32.114 31.462 25.437 1.00 57.07 ? 90 CYS A O 1 ATOM 709 C CB . CYS A 1 90 ? -30.590 34.198 24.193 1.00 56.43 ? 90 CYS A CB 1 ATOM 710 S SG . CYS A 1 90 ? -31.009 35.720 25.065 1.00 76.38 ? 90 CYS A SG 1 ATOM 711 N N . TYR A 1 91 ? -33.093 33.421 25.935 1.00 48.43 ? 91 TYR A N 1 ATOM 712 C CA . TYR A 1 91 ? -33.844 32.878 27.066 1.00 53.88 ? 91 TYR A CA 1 ATOM 713 C C . TYR A 1 91 ? -35.138 32.235 26.560 1.00 53.35 ? 91 TYR A C 1 ATOM 714 O O . TYR A 1 91 ? -36.001 32.920 26.013 1.00 48.77 ? 91 TYR A O 1 ATOM 715 C CB . TYR A 1 91 ? -34.153 33.968 28.096 1.00 49.01 ? 91 TYR A CB 1 ATOM 716 C CG . TYR A 1 91 ? -34.559 33.435 29.455 1.00 57.65 ? 91 TYR A CG 1 ATOM 717 C CD1 . TYR A 1 91 ? -35.890 33.175 29.756 1.00 54.22 ? 91 TYR A CD1 1 ATOM 718 C CD2 . TYR A 1 91 ? -33.605 33.191 30.442 1.00 62.85 ? 91 TYR A CD2 1 ATOM 719 C CE1 . TYR A 1 91 ? -36.263 32.690 31.006 1.00 53.46 ? 91 TYR A CE1 1 ATOM 720 C CE2 . TYR A 1 91 ? -33.965 32.703 31.689 1.00 53.41 ? 91 TYR A CE2 1 ATOM 721 C CZ . TYR A 1 91 ? -35.293 32.456 31.969 1.00 61.14 ? 91 TYR A CZ 1 ATOM 722 O OH . TYR A 1 91 ? -35.650 31.972 33.216 1.00 59.32 ? 91 TYR A OH 1 ATOM 723 N N . PRO A 1 92 ? -35.280 30.917 26.763 1.00 53.10 ? 92 PRO A N 1 ATOM 724 C CA . PRO A 1 92 ? -36.353 30.114 26.164 1.00 50.56 ? 92 PRO A CA 1 ATOM 725 C C . PRO A 1 92 ? -37.747 30.692 26.390 1.00 54.12 ? 92 PRO A C 1 ATOM 726 O O . PRO A 1 92 ? -38.027 31.269 27.447 1.00 47.44 ? 92 PRO A O 1 ATOM 727 C CB . PRO A 1 92 ? -36.209 28.760 26.865 1.00 51.04 ? 92 PRO A CB 1 ATOM 728 C CG . PRO A 1 92 ? -35.499 29.072 28.140 1.00 55.35 ? 92 PRO A CG 1 ATOM 729 C CD . PRO A 1 92 ? -34.538 30.157 27.782 1.00 53.34 ? 92 PRO A CD 1 ATOM 730 N N . GLY A 1 93 ? -38.604 30.531 25.387 1.00 46.50 ? 93 GLY A N 1 ATOM 731 C CA . GLY A 1 93 ? -39.953 31.055 25.436 1.00 45.10 ? 93 GLY A CA 1 ATOM 732 C C . GLY A 1 93 ? -40.497 31.349 24.049 1.00 44.39 ? 93 GLY A C 1 ATOM 733 O O . GLY A 1 93 ? -39.774 31.294 23.057 1.00 48.58 ? 93 GLY A O 1 ATOM 734 N N . VAL A 1 94 ? -41.780 31.678 23.993 1.00 46.45 ? 94 VAL A N 1 ATOM 735 C CA . VAL A 1 94 ? -42.477 31.934 22.741 1.00 50.70 ? 94 VAL A CA 1 ATOM 736 C C . VAL A 1 94 ? -42.701 33.429 22.519 1.00 45.57 ? 94 VAL A C 1 ATOM 737 O O . VAL A 1 94 ? -43.158 34.132 23.422 1.00 44.22 ? 94 VAL A O 1 ATOM 738 C CB . VAL A 1 94 ? -43.846 31.196 22.720 1.00 51.09 ? 94 VAL A CB 1 ATOM 739 C CG1 . VAL A 1 94 ? -44.789 31.803 21.696 1.00 42.35 ? 94 VAL A CG1 1 ATOM 740 C CG2 . VAL A 1 94 ? -43.651 29.698 22.492 1.00 44.78 ? 94 VAL A CG2 1 ATOM 741 N N . LEU A 1 95 ? -42.360 33.910 21.323 1.00 49.88 ? 95 LEU A N 1 ATOM 742 C CA . LEU A 1 95 ? -42.753 35.252 20.894 1.00 47.16 ? 95 LEU A CA 1 ATOM 743 C C . LEU A 1 95 ? -44.156 35.154 20.295 1.00 45.65 ? 95 LEU A C 1 ATOM 744 O O . LEU A 1 95 ? -44.362 34.502 19.272 1.00 41.35 ? 95 LEU A O 1 ATOM 745 C CB . LEU A 1 95 ? -41.759 35.832 19.878 1.00 49.00 ? 95 LEU A CB 1 ATOM 746 C CG . LEU A 1 95 ? -41.480 37.343 19.911 1.00 52.12 ? 95 LEU A CG 1 ATOM 747 C CD1 . LEU A 1 95 ? -40.436 37.733 18.871 1.00 46.67 ? 95 LEU A CD1 1 ATOM 748 C CD2 . LEU A 1 95 ? -42.747 38.160 19.717 1.00 48.36 ? 95 LEU A CD2 1 ATOM 749 N N . ASN A 1 96 ? -45.124 35.786 20.946 1.00 46.43 ? 96 ASN A N 1 ATOM 750 C CA . ASN A 1 96 ? -46.510 35.630 20.541 1.00 45.11 ? 96 ASN A CA 1 ATOM 751 C C . ASN A 1 96 ? -46.843 36.436 19.300 1.00 42.67 ? 96 ASN A C 1 ATOM 752 O O . ASN A 1 96 ? -46.387 37.573 19.132 1.00 37.16 ? 96 ASN A O 1 ATOM 753 C CB . ASN A 1 96 ? -47.443 36.009 21.688 1.00 45.55 ? 96 ASN A CB 1 ATOM 754 C CG . ASN A 1 96 ? -47.686 34.847 22.632 1.00 60.87 ? 96 ASN A CG 1 ATOM 755 O OD1 . ASN A 1 96 ? -46.951 34.660 23.608 1.00 63.24 ? 96 ASN A OD1 1 ATOM 756 N ND2 . ASN A 1 96 ? -48.710 34.043 22.336 1.00 61.14 ? 96 ASN A ND2 1 ATOM 757 N N . GLU A 1 97 ? -47.651 35.823 18.442 1.00 38.99 ? 97 GLU A N 1 ATOM 758 C CA . GLU A 1 97 ? -47.986 36.381 17.147 1.00 34.13 ? 97 GLU A CA 1 ATOM 759 C C . GLU A 1 97 ? -46.701 36.696 16.396 1.00 36.24 ? 97 GLU A C 1 ATOM 760 O O . GLU A 1 97 ? -46.530 37.789 15.850 1.00 34.48 ? 97 GLU A O 1 ATOM 761 C CB . GLU A 1 97 ? -48.859 37.625 17.302 1.00 34.15 ? 97 GLU A CB 1 ATOM 762 C CG . GLU A 1 97 ? -50.143 37.377 18.073 1.00 29.49 ? 97 GLU A CG 1 ATOM 763 C CD . GLU A 1 97 ? -51.159 36.529 17.314 1.00 46.37 ? 97 GLU A CD 1 ATOM 764 O OE1 . GLU A 1 97 ? -52.128 36.087 17.967 1.00 49.74 ? 97 GLU A OE1 1 ATOM 765 O OE2 . GLU A 1 97 ? -51.013 36.311 16.078 1.00 42.84 ? 97 GLU A OE2 1 ATOM 766 N N . LEU A 1 98 ? -45.792 35.729 16.396 1.00 31.01 ? 98 LEU A N 1 ATOM 767 C CA . LEU A 1 98 ? -44.526 35.862 15.697 1.00 30.20 ? 98 LEU A CA 1 ATOM 768 C C . LEU A 1 98 ? -44.691 36.089 14.185 1.00 33.57 ? 98 LEU A C 1 ATOM 769 O O . LEU A 1 98 ? -44.008 36.940 13.612 1.00 33.34 ? 98 LEU A O 1 ATOM 770 C CB . LEU A 1 98 ? -43.670 34.624 15.945 1.00 32.09 ? 98 LEU A CB 1 ATOM 771 C CG . LEU A 1 98 ? -42.381 34.555 15.130 1.00 37.76 ? 98 LEU A CG 1 ATOM 772 C CD1 . LEU A 1 98 ? -41.474 35.751 15.428 1.00 33.37 ? 98 LEU A CD1 1 ATOM 773 C CD2 . LEU A 1 98 ? -41.679 33.235 15.377 1.00 29.58 ? 98 LEU A CD2 1 ATOM 774 N N . GLU A 1 99 ? -45.589 35.342 13.540 1.00 34.81 ? 99 GLU A N 1 ATOM 775 C CA . GLU A 1 99 ? -45.745 35.457 12.088 1.00 34.10 ? 99 GLU A CA 1 ATOM 776 C C . GLU A 1 99 ? -46.325 36.819 11.706 1.00 31.30 ? 99 GLU A C 1 ATOM 777 O O . GLU A 1 99 ? -45.940 37.395 10.684 1.00 28.89 ? 99 GLU A O 1 ATOM 778 C CB . GLU A 1 99 ? -46.620 34.331 11.523 1.00 31.43 ? 99 GLU A CB 1 ATOM 779 C CG . GLU A 1 99 ? -45.996 32.948 11.607 1.00 31.94 ? 99 GLU A CG 1 ATOM 780 C CD . GLU A 1 99 ? -46.081 32.360 13.011 1.00 41.86 ? 99 GLU A CD 1 ATOM 781 O OE1 . GLU A 1 99 ? -46.979 32.778 13.784 1.00 40.67 ? 99 GLU A OE1 1 ATOM 782 O OE2 . GLU A 1 99 ? -45.252 31.481 13.340 1.00 49.16 ? 99 GLU A OE2 1 ATOM 783 N N . GLU A 1 100 ? -47.231 37.338 12.533 1.00 29.24 ? 100 GLU A N 1 ATOM 784 C CA . GLU A 1 100 ? -47.779 38.676 12.309 1.00 29.24 ? 100 GLU A CA 1 ATOM 785 C C . GLU A 1 100 ? -46.727 39.765 12.521 1.00 33.72 ? 100 GLU A C 1 ATOM 786 O O . GLU A 1 100 ? -46.731 40.777 11.824 1.00 36.20 ? 100 GLU A O 1 ATOM 787 C CB . GLU A 1 100 ? -48.978 38.921 13.213 1.00 29.26 ? 100 GLU A CB 1 ATOM 788 C CG . GLU A 1 100 ? -50.247 38.249 12.720 1.00 34.26 ? 100 GLU A CG 1 ATOM 789 C CD . GLU A 1 100 ? -50.852 38.969 11.522 1.00 34.43 ? 100 GLU A CD 1 ATOM 790 O OE1 . GLU A 1 100 ? -50.881 40.218 11.538 1.00 35.68 ? 100 GLU A OE1 1 ATOM 791 O OE2 . GLU A 1 100 ? -51.293 38.296 10.560 1.00 34.25 ? 100 GLU A OE2 1 ATOM 792 N N . LEU A 1 101 ? -45.820 39.547 13.470 1.00 30.97 ? 101 LEU A N 1 ATOM 793 C CA . LEU A 1 101 ? -44.726 40.478 13.703 1.00 32.69 ? 101 LEU A CA 1 ATOM 794 C C . LEU A 1 101 ? -43.804 40.552 12.494 1.00 31.06 ? 101 LEU A C 1 ATOM 795 O O . LEU A 1 101 ? -43.396 41.636 12.083 1.00 30.44 ? 101 LEU A O 1 ATOM 796 C CB . LEU A 1 101 ? -43.914 40.077 14.946 1.00 37.99 ? 101 LEU A CB 1 ATOM 797 C CG . LEU A 1 101 ? -42.675 40.949 15.167 1.00 34.12 ? 101 LEU A CG 1 ATOM 798 C CD1 . LEU A 1 101 ? -43.113 42.346 15.574 1.00 35.01 ? 101 LEU A CD1 1 ATOM 799 C CD2 . LEU A 1 101 ? -41.726 40.352 16.189 1.00 40.78 ? 101 LEU A CD2 1 ATOM 800 N N . LYS A 1 102 ? -43.469 39.394 11.934 1.00 29.68 ? 102 LYS A N 1 ATOM 801 C CA . LYS A 1 102 ? -42.611 39.352 10.757 1.00 26.99 ? 102 LYS A CA 1 ATOM 802 C C . LYS A 1 102 ? -43.258 40.065 9.582 1.00 28.75 ? 102 LYS A C 1 ATOM 803 O O . LYS A 1 102 ? -42.584 40.788 8.849 1.00 31.99 ? 102 LYS A O 1 ATOM 804 C CB . LYS A 1 102 ? -42.268 37.910 10.383 1.00 30.11 ? 102 LYS A CB 1 ATOM 805 C CG . LYS A 1 102 ? -41.244 37.278 11.311 1.00 35.66 ? 102 LYS A CG 1 ATOM 806 C CD . LYS A 1 102 ? -40.830 35.903 10.829 1.00 37.15 ? 102 LYS A CD 1 ATOM 807 C CE . LYS A 1 102 ? -39.784 35.310 11.744 1.00 40.53 ? 102 LYS A CE 1 ATOM 808 N NZ . LYS A 1 102 ? -39.463 33.916 11.357 1.00 48.48 ? 102 LYS A NZ 1 ATOM 809 N N . ALA A 1 103 ? -44.564 39.868 9.412 1.00 27.49 ? 103 ALA A N 1 ATOM 810 C CA . ALA A 1 103 ? -45.302 40.536 8.347 1.00 28.53 ? 103 ALA A CA 1 ATOM 811 C C . ALA A 1 103 ? -45.309 42.035 8.586 1.00 30.91 ? 103 ALA A C 1 ATOM 812 O O . ALA A 1 103 ? -45.149 42.829 7.648 1.00 30.55 ? 103 ALA A O 1 ATOM 813 C CB . ALA A 1 103 ? -46.740 40.002 8.245 1.00 28.33 ? 103 ALA A CB 1 ATOM 814 N N . PHE A 1 104 ? -45.490 42.427 9.844 1.00 30.56 ? 104 PHE A N 1 ATOM 815 C CA . PHE A 1 104 ? -45.478 43.845 10.183 1.00 31.77 ? 104 PHE A CA 1 ATOM 816 C C . PHE A 1 104 ? -44.137 44.477 9.832 1.00 32.19 ? 104 PHE A C 1 ATOM 817 O O . PHE A 1 104 ? -44.082 45.475 9.106 1.00 33.31 ? 104 PHE A O 1 ATOM 818 C CB . PHE A 1 104 ? -45.784 44.068 11.661 1.00 27.14 ? 104 PHE A CB 1 ATOM 819 C CG . PHE A 1 104 ? -45.771 45.506 12.046 1.00 33.05 ? 104 PHE A CG 1 ATOM 820 C CD1 . PHE A 1 104 ? -46.761 46.361 11.576 1.00 34.26 ? 104 PHE A CD1 1 ATOM 821 C CD2 . PHE A 1 104 ? -44.767 46.019 12.857 1.00 30.37 ? 104 PHE A CD2 1 ATOM 822 C CE1 . PHE A 1 104 ? -46.756 47.703 11.910 1.00 34.76 ? 104 PHE A CE1 1 ATOM 823 C CE2 . PHE A 1 104 ? -44.756 47.365 13.196 1.00 33.03 ? 104 PHE A CE2 1 ATOM 824 C CZ . PHE A 1 104 ? -45.756 48.210 12.721 1.00 31.78 ? 104 PHE A CZ 1 ATOM 825 N N . ILE A 1 105 ? -43.062 43.878 10.337 1.00 25.52 ? 105 ILE A N 1 ATOM 826 C CA . ILE A 1 105 ? -41.716 44.392 10.135 1.00 28.03 ? 105 ILE A CA 1 ATOM 827 C C . ILE A 1 105 ? -41.380 44.390 8.648 1.00 30.50 ? 105 ILE A C 1 ATOM 828 O O . ILE A 1 105 ? -40.758 45.320 8.150 1.00 35.57 ? 105 ILE A O 1 ATOM 829 C CB . ILE A 1 105 ? -40.672 43.568 10.945 1.00 31.99 ? 105 ILE A CB 1 ATOM 830 C CG1 . ILE A 1 105 ? -40.803 43.870 12.438 1.00 25.96 ? 105 ILE A CG1 1 ATOM 831 C CG2 . ILE A 1 105 ? -39.254 43.850 10.477 1.00 30.01 ? 105 ILE A CG2 1 ATOM 832 C CD1 . ILE A 1 105 ? -39.918 43.021 13.307 1.00 30.23 ? 105 ILE A CD1 1 ATOM 833 N N . GLY A 1 106 ? -41.829 43.366 7.930 1.00 36.38 ? 106 GLY A N 1 ATOM 834 C CA . GLY A 1 106 ? -41.629 43.308 6.490 1.00 36.89 ? 106 GLY A CA 1 ATOM 835 C C . GLY A 1 106 ? -42.262 44.464 5.724 1.00 34.60 ? 106 GLY A C 1 ATOM 836 O O . GLY A 1 106 ? -41.771 44.850 4.670 1.00 37.20 ? 106 GLY A O 1 ATOM 837 N N . SER A 1 107 ? -43.346 45.024 6.258 1.00 30.03 ? 107 SER A N 1 ATOM 838 C CA . SER A 1 107 ? -44.037 46.137 5.607 1.00 31.18 ? 107 SER A CA 1 ATOM 839 C C . SER A 1 107 ? -43.363 47.477 5.900 1.00 35.40 ? 107 SER A C 1 ATOM 840 O O . SER A 1 107 ? -43.892 48.530 5.563 1.00 41.00 ? 107 SER A O 1 ATOM 841 C CB . SER A 1 107 ? -45.515 46.191 6.044 1.00 30.11 ? 107 SER A CB 1 ATOM 842 O OG . SER A 1 107 ? -45.689 46.758 7.339 1.00 31.76 ? 107 SER A OG 1 ATOM 843 N N . GLY A 1 108 ? -42.198 47.433 6.536 1.00 39.22 ? 108 GLY A N 1 ATOM 844 C CA . GLY A 1 108 ? -41.535 48.643 6.977 1.00 37.80 ? 108 GLY A CA 1 ATOM 845 C C . GLY A 1 108 ? -40.307 49.023 6.184 1.00 36.42 ? 108 GLY A C 1 ATOM 846 O O . GLY A 1 108 ? -39.859 48.290 5.299 1.00 34.97 ? 108 GLY A O 1 ATOM 847 N N . GLU A 1 109 ? -39.744 50.172 6.542 1.00 36.80 ? 109 GLU A N 1 ATOM 848 C CA . GLU A 1 109 ? -38.705 50.824 5.755 1.00 41.21 ? 109 GLU A CA 1 ATOM 849 C C . GLU A 1 109 ? -37.573 51.354 6.639 1.00 44.20 ? 109 GLU A C 1 ATOM 850 O O . GLU A 1 109 ? -36.426 51.490 6.206 1.00 42.55 ? 109 GLU A O 1 ATOM 851 C CB . GLU A 1 109 ? -39.341 51.961 4.961 1.00 44.00 ? 109 GLU A CB 1 ATOM 852 C CG . GLU A 1 109 ? -38.443 52.680 4.014 1.00 53.53 ? 109 GLU A CG 1 ATOM 853 C CD . GLU A 1 109 ? -39.185 53.765 3.275 1.00 54.87 ? 109 GLU A CD 1 ATOM 854 O OE1 . GLU A 1 109 ? -39.950 54.505 3.928 1.00 60.04 ? 109 GLU A OE1 1 ATOM 855 O OE2 . GLU A 1 109 ? -39.010 53.875 2.046 1.00 67.17 ? 109 GLU A OE2 1 ATOM 856 N N . ARG A 1 110 ? -37.912 51.644 7.888 1.00 35.52 ? 110 ARG A N 1 ATOM 857 C CA . ARG A 1 110 ? -36.988 52.282 8.792 1.00 39.87 ? 110 ARG A CA 1 ATOM 858 C C . ARG A 1 110 ? -37.485 52.189 10.236 1.00 41.73 ? 110 ARG A C 1 ATOM 859 O O . ARG A 1 110 ? -38.679 52.335 10.513 1.00 36.72 ? 110 ARG A O 1 ATOM 860 C CB . ARG A 1 110 ? -36.768 53.742 8.361 1.00 44.30 ? 110 ARG A CB 1 ATOM 861 C CG . ARG A 1 110 ? -36.579 54.750 9.479 1.00 47.51 ? 110 ARG A CG 1 ATOM 862 C CD . ARG A 1 110 ? -35.799 55.964 8.999 1.00 48.23 ? 110 ARG A CD 1 ATOM 863 N NE . ARG A 1 110 ? -34.368 55.671 8.951 1.00 62.44 ? 110 ARG A NE 1 ATOM 864 C CZ . ARG A 1 110 ? -33.517 55.928 9.943 1.00 59.25 ? 110 ARG A CZ 1 ATOM 865 N NH1 . ARG A 1 110 ? -32.232 55.615 9.820 1.00 62.29 ? 110 ARG A NH1 1 ATOM 866 N NH2 . ARG A 1 110 ? -33.955 56.494 11.058 1.00 55.25 ? 110 ARG A NH2 1 ATOM 867 N N . VAL A 1 111 ? -36.567 51.900 11.150 1.00 38.04 ? 111 VAL A N 1 ATOM 868 C CA . VAL A 1 111 ? -36.886 51.974 12.565 1.00 38.98 ? 111 VAL A CA 1 ATOM 869 C C . VAL A 1 111 ? -35.946 52.971 13.236 1.00 41.10 ? 111 VAL A C 1 ATOM 870 O O . VAL A 1 111 ? -34.792 53.127 12.831 1.00 43.49 ? 111 VAL A O 1 ATOM 871 C CB . VAL A 1 111 ? -36.798 50.586 13.270 1.00 39.44 ? 111 VAL A CB 1 ATOM 872 C CG1 . VAL A 1 111 ? -37.790 49.598 12.653 1.00 35.85 ? 111 VAL A CG1 1 ATOM 873 C CG2 . VAL A 1 111 ? -35.391 50.031 13.227 1.00 36.13 ? 111 VAL A CG2 1 ATOM 874 N N . GLU A 1 112 ? -36.469 53.675 14.234 1.00 45.72 ? 112 GLU A N 1 ATOM 875 C CA . GLU A 1 112 ? -35.668 54.522 15.107 1.00 44.31 ? 112 GLU A CA 1 ATOM 876 C C . GLU A 1 112 ? -35.756 54.047 16.545 1.00 43.18 ? 112 GLU A C 1 ATOM 877 O O . GLU A 1 112 ? -36.795 54.189 17.184 1.00 43.76 ? 112 GLU A O 1 ATOM 878 C CB . GLU A 1 112 ? -36.125 55.968 15.041 1.00 47.03 ? 112 GLU A CB 1 ATOM 879 C CG . GLU A 1 112 ? -35.557 56.762 13.912 1.00 54.48 ? 112 GLU A CG 1 ATOM 880 C CD . GLU A 1 112 ? -35.979 58.214 13.991 1.00 72.58 ? 112 GLU A CD 1 ATOM 881 O OE1 . GLU A 1 112 ? -36.266 58.685 15.120 1.00 68.65 ? 112 GLU A OE1 1 ATOM 882 O OE2 . GLU A 1 112 ? -36.032 58.874 12.928 1.00 72.16 ? 112 GLU A OE2 1 ATOM 883 N N . ARG A 1 113 ? -34.666 53.491 17.056 1.00 39.75 ? 113 ARG A N 1 ATOM 884 C CA . ARG A 1 113 ? -34.612 53.092 18.459 1.00 39.53 ? 113 ARG A CA 1 ATOM 885 C C . ARG A 1 113 ? -34.538 54.306 19.378 1.00 41.81 ? 113 ARG A C 1 ATOM 886 O O . ARG A 1 113 ? -33.769 55.243 19.141 1.00 41.13 ? 113 ARG A O 1 ATOM 887 C CB . ARG A 1 113 ? -33.420 52.178 18.710 1.00 37.06 ? 113 ARG A CB 1 ATOM 888 C CG . ARG A 1 113 ? -33.449 51.474 20.051 1.00 36.76 ? 113 ARG A CG 1 ATOM 889 C CD . ARG A 1 113 ? -32.568 50.246 19.984 1.00 38.45 ? 113 ARG A CD 1 ATOM 890 N NE . ARG A 1 113 ? -32.346 49.639 21.288 1.00 44.23 ? 113 ARG A NE 1 ATOM 891 C CZ . ARG A 1 113 ? -31.395 50.022 22.135 1.00 48.04 ? 113 ARG A CZ 1 ATOM 892 N NH1 . ARG A 1 113 ? -30.581 51.025 21.820 1.00 46.65 ? 113 ARG A NH1 1 ATOM 893 N NH2 . ARG A 1 113 ? -31.263 49.406 23.297 1.00 45.97 ? 113 ARG A NH2 1 ATOM 894 N N . PHE A 1 114 ? -35.352 54.280 20.423 1.00 41.92 ? 114 PHE A N 1 ATOM 895 C CA . PHE A 1 114 ? -35.369 55.333 21.424 1.00 44.98 ? 114 PHE A CA 1 ATOM 896 C C . PHE A 1 114 ? -35.736 54.704 22.759 1.00 50.69 ? 114 PHE A C 1 ATOM 897 O O . PHE A 1 114 ? -36.339 53.629 22.789 1.00 46.60 ? 114 PHE A O 1 ATOM 898 C CB . PHE A 1 114 ? -36.363 56.435 21.046 1.00 46.19 ? 114 PHE A CB 1 ATOM 899 C CG . PHE A 1 114 ? -37.798 56.052 21.273 1.00 49.43 ? 114 PHE A CG 1 ATOM 900 C CD1 . PHE A 1 114 ? -38.451 55.198 20.394 1.00 45.27 ? 114 PHE A CD1 1 ATOM 901 C CD2 . PHE A 1 114 ? -38.490 56.537 22.370 1.00 47.38 ? 114 PHE A CD2 1 ATOM 902 C CE1 . PHE A 1 114 ? -39.768 54.834 20.608 1.00 45.18 ? 114 PHE A CE1 1 ATOM 903 C CE2 . PHE A 1 114 ? -39.810 56.182 22.590 1.00 48.44 ? 114 PHE A CE2 1 ATOM 904 C CZ . PHE A 1 114 ? -40.450 55.328 21.707 1.00 47.40 ? 114 PHE A CZ 1 ATOM 905 N N . GLU A 1 115 ? -35.365 55.365 23.856 1.00 63.61 ? 115 GLU A N 1 ATOM 906 C CA . GLU A 1 115 ? -35.703 54.884 25.196 1.00 59.35 ? 115 GLU A CA 1 ATOM 907 C C . GLU A 1 115 ? -37.145 55.247 25.535 1.00 58.55 ? 115 GLU A C 1 ATOM 908 O O . GLU A 1 115 ? -37.509 56.423 25.554 1.00 55.72 ? 115 GLU A O 1 ATOM 909 C CB . GLU A 1 115 ? -34.744 55.461 26.242 1.00 61.26 ? 115 GLU A CB 1 ATOM 910 C CG . GLU A 1 115 ? -34.719 54.695 27.567 1.00 62.99 ? 115 GLU A CG 1 ATOM 911 C CD . GLU A 1 115 ? -33.592 55.148 28.481 1.00 64.63 ? 115 GLU A CD 1 ATOM 912 O OE1 . GLU A 1 115 ? -33.253 54.410 29.433 1.00 63.46 ? 115 GLU A OE1 1 ATOM 913 O OE2 . GLU A 1 115 ? -33.048 56.248 28.248 1.00 69.21 ? 115 GLU A OE2 1 ATOM 914 N N . MET A 1 116 ? -37.958 54.229 25.798 1.00 59.74 ? 116 MET A N 1 ATOM 915 C CA . MET A 1 116 ? -39.395 54.412 25.988 1.00 56.29 ? 116 MET A CA 1 ATOM 916 C C . MET A 1 116 ? -39.765 54.473 27.467 1.00 56.41 ? 116 MET A C 1 ATOM 917 O O . MET A 1 116 ? -40.565 55.311 27.882 1.00 62.78 ? 116 MET A O 1 ATOM 918 C CB . MET A 1 116 ? -40.160 53.281 25.303 1.00 54.01 ? 116 MET A CB 1 ATOM 919 C CG . MET A 1 116 ? -41.652 53.505 25.203 1.00 53.05 ? 116 MET A CG 1 ATOM 920 S SD . MET A 1 116 ? -42.519 52.075 24.530 1.00 49.58 ? 116 MET A SD 1 ATOM 921 C CE . MET A 1 116 ? -44.142 52.788 24.252 1.00 46.31 ? 116 MET A CE 1 ATOM 922 N N . PHE A 1 117 ? -39.198 53.560 28.249 1.00 49.40 ? 117 PHE A N 1 ATOM 923 C CA . PHE A 1 117 ? -39.278 53.612 29.708 1.00 49.91 ? 117 PHE A CA 1 ATOM 924 C C . PHE A 1 117 ? -37.874 53.501 30.302 1.00 53.98 ? 117 PHE A C 1 ATOM 925 O O . PHE A 1 117 ? -37.289 52.409 30.310 1.00 48.61 ? 117 PHE A O 1 ATOM 926 C CB . PHE A 1 117 ? -40.153 52.485 30.274 1.00 52.78 ? 117 PHE A CB 1 ATOM 927 C CG . PHE A 1 117 ? -41.601 52.546 29.856 1.00 54.81 ? 117 PHE A CG 1 ATOM 928 C CD1 . PHE A 1 117 ? -42.507 53.329 30.550 1.00 51.77 ? 117 PHE A CD1 1 ATOM 929 C CD2 . PHE A 1 117 ? -42.060 51.792 28.780 1.00 49.38 ? 117 PHE A CD2 1 ATOM 930 C CE1 . PHE A 1 117 ? -43.845 53.375 30.169 1.00 57.56 ? 117 PHE A CE1 1 ATOM 931 C CE2 . PHE A 1 117 ? -43.390 51.833 28.397 1.00 49.02 ? 117 PHE A CE2 1 ATOM 932 C CZ . PHE A 1 117 ? -44.286 52.623 29.092 1.00 49.62 ? 117 PHE A CZ 1 ATOM 933 N N . PRO A 1 118 ? -37.320 54.627 30.793 1.00 54.53 ? 118 PRO A N 1 ATOM 934 C CA . PRO A 1 118 ? -36.056 54.582 31.543 1.00 53.29 ? 118 PRO A CA 1 ATOM 935 C C . PRO A 1 118 ? -36.212 53.677 32.766 1.00 57.36 ? 118 PRO A C 1 ATOM 936 O O . PRO A 1 118 ? -37.334 53.552 33.261 1.00 55.29 ? 118 PRO A O 1 ATOM 937 C CB . PRO A 1 118 ? -35.827 56.040 31.959 1.00 55.82 ? 118 PRO A CB 1 ATOM 938 C CG . PRO A 1 118 ? -36.719 56.855 31.084 1.00 52.75 ? 118 PRO A CG 1 ATOM 939 C CD . PRO A 1 118 ? -37.886 55.986 30.731 1.00 53.24 ? 118 PRO A CD 1 ATOM 940 N N . LYS A 1 119 ? -35.134 53.055 33.237 1.00 57.12 ? 119 LYS A N 1 ATOM 941 C CA . LYS A 1 119 ? -35.232 52.101 34.344 1.00 58.47 ? 119 LYS A CA 1 ATOM 942 C C . LYS A 1 119 ? -35.817 52.742 35.600 1.00 59.18 ? 119 LYS A C 1 ATOM 943 O O . LYS A 1 119 ? -36.458 52.069 36.405 1.00 60.85 ? 119 LYS A O 1 ATOM 944 C CB . LYS A 1 119 ? -33.867 51.496 34.669 1.00 56.86 ? 119 LYS A CB 1 ATOM 945 C CG . LYS A 1 119 ? -33.143 50.904 33.484 1.00 54.85 ? 119 LYS A CG 1 ATOM 946 C CD . LYS A 1 119 ? -32.489 49.587 33.844 1.00 54.10 ? 119 LYS A CD 1 ATOM 947 C CE . LYS A 1 119 ? -31.315 49.293 32.938 1.00 53.32 ? 119 LYS A CE 1 ATOM 948 N NZ . LYS A 1 119 ? -30.816 47.905 33.122 1.00 61.65 ? 119 LYS A NZ 1 ATOM 949 N N . SER A 1 120 ? -35.610 54.049 35.744 1.00 65.28 ? 120 SER A N 1 ATOM 950 C CA . SER A 1 120 ? -36.129 54.809 36.880 1.00 69.30 ? 120 SER A CA 1 ATOM 951 C C . SER A 1 120 ? -37.651 54.971 36.833 1.00 69.67 ? 120 SER A C 1 ATOM 952 O O . SER A 1 120 ? -38.234 55.677 37.652 1.00 78.60 ? 120 SER A O 1 ATOM 953 C CB . SER A 1 120 ? -35.468 56.189 36.939 1.00 68.01 ? 120 SER A CB 1 ATOM 954 O OG . SER A 1 120 ? -35.666 56.909 35.732 1.00 75.67 ? 120 SER A OG 1 ATOM 955 N N . THR A 1 121 ? -38.289 54.320 35.870 1.00 65.46 ? 121 THR A N 1 ATOM 956 C CA . THR A 1 121 ? -39.735 54.379 35.735 1.00 69.49 ? 121 THR A CA 1 ATOM 957 C C . THR A 1 121 ? -40.403 53.573 36.835 1.00 63.28 ? 121 THR A C 1 ATOM 958 O O . THR A 1 121 ? -41.504 53.897 37.275 1.00 60.35 ? 121 THR A O 1 ATOM 959 C CB . THR A 1 121 ? -40.207 53.834 34.361 1.00 62.70 ? 121 THR A CB 1 ATOM 960 O OG1 . THR A 1 121 ? -40.876 54.871 33.637 1.00 67.62 ? 121 THR A OG1 1 ATOM 961 N N . TRP A 1 122 ? -39.723 52.519 37.272 1.00 57.17 ? 122 TRP A N 1 ATOM 962 C CA . TRP A 1 122 ? -40.341 51.518 38.131 1.00 62.75 ? 122 TRP A CA 1 ATOM 963 C C . TRP A 1 122 ? -39.901 51.663 39.590 1.00 67.69 ? 122 TRP A C 1 ATOM 964 O O . TRP A 1 122 ? -38.802 51.258 39.965 1.00 63.63 ? 122 TRP A O 1 ATOM 965 C CB . TRP A 1 122 ? -40.020 50.117 37.604 1.00 61.18 ? 122 TRP A CB 1 ATOM 966 C CG . TRP A 1 122 ? -40.015 50.029 36.092 1.00 63.23 ? 122 TRP A CG 1 ATOM 967 C CD1 . TRP A 1 122 ? -38.921 49.903 35.281 1.00 62.76 ? 122 TRP A CD1 1 ATOM 968 C CD2 . TRP A 1 122 ? -41.155 50.073 35.219 1.00 56.55 ? 122 TRP A CD2 1 ATOM 969 N NE1 . TRP A 1 122 ? -39.310 49.862 33.960 1.00 56.21 ? 122 TRP A NE1 1 ATOM 970 C CE2 . TRP A 1 122 ? -40.677 49.966 33.896 1.00 57.44 ? 122 TRP A CE2 1 ATOM 971 C CE3 . TRP A 1 122 ? -42.533 50.194 35.428 1.00 55.74 ? 122 TRP A CE3 1 ATOM 972 C CZ2 . TRP A 1 122 ? -41.527 49.970 32.788 1.00 56.42 ? 122 TRP A CZ2 1 ATOM 973 C CZ3 . TRP A 1 122 ? -43.376 50.202 34.328 1.00 56.82 ? 122 TRP A CZ3 1 ATOM 974 C CH2 . TRP A 1 122 ? -42.870 50.090 33.025 1.00 53.35 ? 122 TRP A CH2 1 ATOM 975 N N . ALA A 1 123 ? -40.788 52.236 40.401 1.00 89.65 ? 123 ALA A N 1 ATOM 976 C CA . ALA A 1 123 ? -40.490 52.613 41.783 1.00 91.70 ? 123 ALA A CA 1 ATOM 977 C C . ALA A 1 123 ? -40.482 51.434 42.757 1.00 95.15 ? 123 ALA A C 1 ATOM 978 O O . ALA A 1 123 ? -41.486 50.728 42.909 1.00 93.40 ? 123 ALA A O 1 ATOM 979 C CB . ALA A 1 123 ? -41.496 53.663 42.258 1.00 86.65 ? 123 ALA A CB 1 ATOM 980 N N . GLY A 1 124 ? -39.349 51.240 43.428 1.00 73.64 ? 124 GLY A N 1 ATOM 981 C CA . GLY A 1 124 ? -39.260 50.277 44.511 1.00 73.68 ? 124 GLY A CA 1 ATOM 982 C C . GLY A 1 124 ? -38.867 48.871 44.103 1.00 79.63 ? 124 GLY A C 1 ATOM 983 O O . GLY A 1 124 ? -39.166 47.909 44.816 1.00 80.38 ? 124 GLY A O 1 ATOM 984 N N . VAL A 1 125 ? -38.190 48.750 42.965 1.00 68.04 ? 125 VAL A N 1 ATOM 985 C CA . VAL A 1 125 ? -37.758 47.451 42.454 1.00 66.73 ? 125 VAL A CA 1 ATOM 986 C C . VAL A 1 125 ? -36.325 47.539 41.942 1.00 71.76 ? 125 VAL A C 1 ATOM 987 O O . VAL A 1 125 ? -35.812 48.634 41.694 1.00 71.34 ? 125 VAL A O 1 ATOM 988 C CB . VAL A 1 125 ? -38.681 46.948 41.316 1.00 66.75 ? 125 VAL A CB 1 ATOM 989 C CG1 . VAL A 1 125 ? -39.982 46.381 41.873 1.00 60.71 ? 125 VAL A CG1 1 ATOM 990 C CG2 . VAL A 1 125 ? -38.960 48.068 40.328 1.00 63.74 ? 125 VAL A CG2 1 ATOM 991 N N . ASP A 1 126 ? -35.678 46.390 41.784 1.00 78.12 ? 126 ASP A N 1 ATOM 992 C CA . ASP A 1 126 ? -34.317 46.369 41.262 1.00 82.54 ? 126 ASP A CA 1 ATOM 993 C C . ASP A 1 126 ? -34.301 46.194 39.736 1.00 83.98 ? 126 ASP A C 1 ATOM 994 O O . ASP A 1 126 ? -34.964 45.309 39.188 1.00 77.37 ? 126 ASP A O 1 ATOM 995 C CB . ASP A 1 126 ? -33.504 45.262 41.932 1.00 83.21 ? 126 ASP A CB 1 ATOM 996 C CG . ASP A 1 126 ? -32.024 45.358 41.618 1.00 88.30 ? 126 ASP A CG 1 ATOM 997 O OD1 . ASP A 1 126 ? -31.569 46.455 41.224 1.00 90.98 ? 126 ASP A OD1 1 ATOM 998 O OD2 . ASP A 1 126 ? -31.314 44.340 41.768 1.00 93.61 ? 126 ASP A OD2 1 ATOM 999 N N . THR A 1 127 ? -33.537 47.045 39.057 1.00 77.03 ? 127 THR A N 1 ATOM 1000 C CA . THR A 1 127 ? -33.458 47.007 37.602 1.00 67.31 ? 127 THR A CA 1 ATOM 1001 C C . THR A 1 127 ? -32.051 46.666 37.123 1.00 70.84 ? 127 THR A C 1 ATOM 1002 O O . THR A 1 127 ? -31.761 46.754 35.929 1.00 71.39 ? 127 THR A O 1 ATOM 1003 C CB . THR A 1 127 ? -33.880 48.358 36.971 1.00 63.64 ? 127 THR A CB 1 ATOM 1004 O OG1 . THR A 1 127 ? -32.861 49.348 37.197 1.00 59.12 ? 127 THR A OG1 1 ATOM 1005 C CG2 . THR A 1 127 ? -35.201 48.843 37.551 1.00 63.10 ? 127 THR A CG2 1 ATOM 1006 N N . SER A 1 128 ? -31.180 46.268 38.045 1.00 63.09 ? 128 SER A N 1 ATOM 1007 C CA . SER A 1 128 ? -29.764 46.116 37.719 1.00 61.72 ? 128 SER A CA 1 ATOM 1008 C C . SER A 1 128 ? -29.265 44.672 37.757 1.00 59.70 ? 128 SER A C 1 ATOM 1009 O O . SER A 1 128 ? -28.117 44.398 37.404 1.00 61.93 ? 128 SER A O 1 ATOM 1010 C CB . SER A 1 128 ? -28.925 46.977 38.670 1.00 70.01 ? 128 SER A CB 1 ATOM 1011 O OG . SER A 1 128 ? -29.315 46.775 40.021 1.00 73.20 ? 128 SER A OG 1 ATOM 1012 N N . ARG A 1 129 ? -30.126 43.749 38.167 1.00 78.49 ? 129 ARG A N 1 ATOM 1013 C CA . ARG A 1 129 ? -29.697 42.374 38.396 1.00 85.63 ? 129 ARG A CA 1 ATOM 1014 C C . ARG A 1 129 ? -30.394 41.388 37.451 1.00 85.24 ? 129 ARG A C 1 ATOM 1015 O O . ARG A 1 129 ? -30.207 40.171 37.551 1.00 85.70 ? 129 ARG A O 1 ATOM 1016 C CB . ARG A 1 129 ? -29.945 41.993 39.864 1.00 90.01 ? 129 ARG A CB 1 ATOM 1017 C CG . ARG A 1 129 ? -29.114 40.818 40.370 1.00 98.84 ? 129 ARG A CG 1 ATOM 1018 C CD . ARG A 1 129 ? -28.993 40.810 41.892 1.00 103.78 ? 129 ARG A CD 1 ATOM 1019 N NE . ARG A 1 129 ? -28.157 41.903 42.387 1.00 114.63 ? 129 ARG A NE 1 ATOM 1020 C CZ . ARG A 1 129 ? -28.617 42.966 43.040 1.00 113.94 ? 129 ARG A CZ 1 ATOM 1021 N NH1 . ARG A 1 129 ? -29.915 43.084 43.291 1.00 109.15 ? 129 ARG A NH1 1 ATOM 1022 N NH2 . ARG A 1 129 ? -27.777 43.910 43.450 1.00 105.64 ? 129 ARG A NH2 1 ATOM 1023 N N . GLY A 1 130 ? -31.185 41.917 36.521 1.00 93.84 ? 130 GLY A N 1 ATOM 1024 C CA . GLY A 1 130 ? -31.908 41.082 35.577 1.00 84.97 ? 130 GLY A CA 1 ATOM 1025 C C . GLY A 1 130 ? -31.056 40.540 34.441 1.00 84.79 ? 130 GLY A C 1 ATOM 1026 O O . GLY A 1 130 ? -31.223 40.941 33.285 1.00 81.37 ? 130 GLY A O 1 ATOM 1027 N N . VAL A 1 131 ? -30.139 39.631 34.760 1.00 59.89 ? 131 VAL A N 1 ATOM 1028 C CA . VAL A 1 131 ? -29.312 39.000 33.736 1.00 58.34 ? 131 VAL A CA 1 ATOM 1029 C C . VAL A 1 131 ? -29.413 37.484 33.813 1.00 57.00 ? 131 VAL A C 1 ATOM 1030 O O . VAL A 1 131 ? -30.029 36.934 34.728 1.00 60.97 ? 131 VAL A O 1 ATOM 1031 C CB . VAL A 1 131 ? -27.829 39.408 33.849 1.00 65.46 ? 131 VAL A CB 1 ATOM 1032 C CG1 . VAL A 1 131 ? -27.677 40.921 33.738 1.00 56.03 ? 131 VAL A CG1 1 ATOM 1033 C CG2 . VAL A 1 131 ? -27.234 38.889 35.157 1.00 64.86 ? 131 VAL A CG2 1 ATOM 1034 N N . THR A 1 132 ? -28.795 36.814 32.850 1.00 59.18 ? 132 THR A N 1 ATOM 1035 C CA . THR A 1 132 ? -28.920 35.372 32.726 1.00 60.06 ? 132 THR A CA 1 ATOM 1036 C C . THR A 1 132 ? -27.819 34.801 31.852 1.00 62.80 ? 132 THR A C 1 ATOM 1037 O O . THR A 1 132 ? -27.394 35.422 30.879 1.00 63.95 ? 132 THR A O 1 ATOM 1038 C CB . THR A 1 132 ? -30.284 34.971 32.132 1.00 61.30 ? 132 THR A CB 1 ATOM 1039 O OG1 . THR A 1 132 ? -30.257 33.588 31.755 1.00 59.82 ? 132 THR A OG1 1 ATOM 1040 C CG2 . THR A 1 132 ? -30.595 35.815 30.905 1.00 61.28 ? 132 THR A CG2 1 ATOM 1041 N N . ASN A 1 133 ? -27.360 33.609 32.203 1.00 76.80 ? 133 ASN A N 1 ATOM 1042 C CA . ASN A 1 133 ? -26.301 32.959 31.449 1.00 78.05 ? 133 ASN A CA 1 ATOM 1043 C C . ASN A 1 133 ? -26.838 32.318 30.173 1.00 74.30 ? 133 ASN A C 1 ATOM 1044 O O . ASN A 1 133 ? -26.082 31.747 29.387 1.00 76.80 ? 133 ASN A O 1 ATOM 1045 C CB . ASN A 1 133 ? -25.583 31.921 32.320 1.00 79.22 ? 133 ASN A CB 1 ATOM 1046 C CG . ASN A 1 133 ? -26.534 31.143 33.215 1.00 85.62 ? 133 ASN A CG 1 ATOM 1047 O OD1 . ASN A 1 133 ? -27.729 31.041 32.933 1.00 84.01 ? 133 ASN A OD1 1 ATOM 1048 N ND2 . ASN A 1 133 ? -26.002 30.578 34.296 1.00 88.55 ? 133 ASN A ND2 1 ATOM 1049 N N . ALA A 1 134 ? -28.149 32.419 29.971 1.00 66.37 ? 134 ALA A N 1 ATOM 1050 C CA . ALA A 1 134 ? -28.767 31.993 28.720 1.00 64.76 ? 134 ALA A CA 1 ATOM 1051 C C . ALA A 1 134 ? -28.611 33.089 27.672 1.00 62.87 ? 134 ALA A C 1 ATOM 1052 O O . ALA A 1 134 ? -28.693 32.830 26.474 1.00 61.52 ? 134 ALA A O 1 ATOM 1053 C CB . ALA A 1 134 ? -30.232 31.655 28.925 1.00 60.33 ? 134 ALA A CB 1 ATOM 1054 N N . CYS A 1 135 ? -28.365 34.311 28.135 1.00 63.20 ? 135 CYS A N 1 ATOM 1055 C CA . CYS A 1 135 ? -28.136 35.436 27.240 1.00 59.94 ? 135 CYS A CA 1 ATOM 1056 C C . CYS A 1 135 ? -26.745 36.050 27.407 1.00 59.57 ? 135 CYS A C 1 ATOM 1057 O O . CYS A 1 135 ? -26.612 37.175 27.885 1.00 60.06 ? 135 CYS A O 1 ATOM 1058 C CB . CYS A 1 135 ? -29.204 36.510 27.464 1.00 60.28 ? 135 CYS A CB 1 ATOM 1059 S SG . CYS A 1 135 ? -30.891 35.952 27.100 1.00 72.36 ? 135 CYS A SG 1 ATOM 1060 N N . PRO A 1 136 ? -25.697 35.317 27.005 1.00 53.31 ? 136 PRO A N 1 ATOM 1061 C CA . PRO A 1 136 ? -24.377 35.951 27.023 1.00 59.09 ? 136 PRO A CA 1 ATOM 1062 C C . PRO A 1 136 ? -24.264 37.050 25.974 1.00 61.69 ? 136 PRO A C 1 ATOM 1063 O O . PRO A 1 136 ? -24.908 36.958 24.931 1.00 61.43 ? 136 PRO A O 1 ATOM 1064 C CB . PRO A 1 136 ? -23.430 34.793 26.694 1.00 62.06 ? 136 PRO A CB 1 ATOM 1065 C CG . PRO A 1 136 ? -24.259 33.852 25.885 1.00 50.94 ? 136 PRO A CG 1 ATOM 1066 C CD . PRO A 1 136 ? -25.639 33.938 26.482 1.00 54.24 ? 136 PRO A CD 1 ATOM 1067 N N . SER A 1 137 ? -23.472 38.081 26.248 1.00 61.89 ? 137 SER A N 1 ATOM 1068 C CA . SER A 1 137 ? -23.075 39.003 25.197 1.00 55.41 ? 137 SER A CA 1 ATOM 1069 C C . SER A 1 137 ? -21.747 38.492 24.648 1.00 61.40 ? 137 SER A C 1 ATOM 1070 O O . SER A 1 137 ? -21.418 37.320 24.825 1.00 60.56 ? 137 SER A O 1 ATOM 1071 C CB . SER A 1 137 ? -22.966 40.439 25.716 1.00 60.35 ? 137 SER A CB 1 ATOM 1072 O OG . SER A 1 137 ? -21.698 40.695 26.286 1.00 67.24 ? 137 SER A OG 1 ATOM 1073 N N . TYR A 1 138 ? -20.986 39.345 23.976 1.00 71.09 ? 138 TYR A N 1 ATOM 1074 C CA . TYR A 1 138 ? -19.687 38.914 23.471 1.00 72.34 ? 138 TYR A CA 1 ATOM 1075 C C . TYR A 1 138 ? -18.599 39.152 24.519 1.00 82.05 ? 138 TYR A C 1 ATOM 1076 O O . TYR A 1 138 ? -17.459 38.705 24.362 1.00 75.39 ? 138 TYR A O 1 ATOM 1077 C CB . TYR A 1 138 ? -19.354 39.623 22.157 1.00 70.47 ? 138 TYR A CB 1 ATOM 1078 C CG . TYR A 1 138 ? -19.939 38.925 20.945 1.00 78.34 ? 138 TYR A CG 1 ATOM 1079 C CD1 . TYR A 1 138 ? -20.026 37.538 20.898 1.00 76.61 ? 138 TYR A CD1 1 ATOM 1080 C CD2 . TYR A 1 138 ? -20.418 39.647 19.858 1.00 72.38 ? 138 TYR A CD2 1 ATOM 1081 C CE1 . TYR A 1 138 ? -20.565 36.889 19.799 1.00 79.12 ? 138 TYR A CE1 1 ATOM 1082 C CE2 . TYR A 1 138 ? -20.959 39.007 18.755 1.00 72.09 ? 138 TYR A CE2 1 ATOM 1083 C CZ . TYR A 1 138 ? -21.032 37.628 18.731 1.00 78.98 ? 138 TYR A CZ 1 ATOM 1084 O OH . TYR A 1 138 ? -21.569 36.979 17.636 1.00 83.30 ? 138 TYR A OH 1 ATOM 1085 N N . THR A 1 139 ? -18.967 39.838 25.598 1.00 87.63 ? 139 THR A N 1 ATOM 1086 C CA . THR A 1 139 ? -18.044 40.103 26.695 1.00 87.97 ? 139 THR A CA 1 ATOM 1087 C C . THR A 1 139 ? -18.528 39.456 27.998 1.00 91.66 ? 139 THR A C 1 ATOM 1088 O O . THR A 1 139 ? -17.852 38.584 28.547 1.00 92.90 ? 139 THR A O 1 ATOM 1089 C CB . THR A 1 139 ? -17.845 41.615 26.903 1.00 86.82 ? 139 THR A CB 1 ATOM 1090 O OG1 . THR A 1 139 ? -19.084 42.217 27.298 1.00 93.34 ? 139 THR A OG1 1 ATOM 1091 C CG2 . THR A 1 139 ? -17.359 42.262 25.619 1.00 80.92 ? 139 THR A CG2 1 ATOM 1092 N N . LEU A 1 140 ? -19.695 39.878 28.485 1.00 94.60 ? 140 LEU A N 1 ATOM 1093 C CA . LEU A 1 140 ? -20.293 39.281 29.682 1.00 95.53 ? 140 LEU A CA 1 ATOM 1094 C C . LEU A 1 140 ? -20.898 37.917 29.364 1.00 93.91 ? 140 LEU A C 1 ATOM 1095 O O . LEU A 1 140 ? -21.402 37.700 28.265 1.00 93.21 ? 140 LEU A O 1 ATOM 1096 C CB . LEU A 1 140 ? -21.370 40.194 30.268 1.00 89.61 ? 140 LEU A CB 1 ATOM 1097 C CG . LEU A 1 140 ? -21.043 41.680 30.429 1.00 96.29 ? 140 LEU A CG 1 ATOM 1098 C CD1 . LEU A 1 140 ? -22.168 42.393 31.173 1.00 89.11 ? 140 LEU A CD1 1 ATOM 1099 C CD2 . LEU A 1 140 ? -19.712 41.875 31.138 1.00 99.97 ? 140 LEU A CD2 1 ATOM 1100 N N . ASP A 1 141 ? -20.860 37.001 30.325 1.00 93.31 ? 141 ASP A N 1 ATOM 1101 C CA . ASP A 1 141 ? -21.439 35.676 30.111 1.00 95.52 ? 141 ASP A CA 1 ATOM 1102 C C . ASP A 1 141 ? -22.867 35.605 30.631 1.00 88.02 ? 141 ASP A C 1 ATOM 1103 O O . ASP A 1 141 ? -23.580 34.630 30.385 1.00 86.79 ? 141 ASP A O 1 ATOM 1104 C CB . ASP A 1 141 ? -20.578 34.596 30.763 1.00 93.81 ? 141 ASP A CB 1 ATOM 1105 C CG . ASP A 1 141 ? -19.180 34.541 30.178 1.00 108.78 ? 141 ASP A CG 1 ATOM 1106 O OD1 . ASP A 1 141 ? -19.006 34.977 29.016 1.00 106.56 ? 141 ASP A OD1 1 ATOM 1107 O OD2 . ASP A 1 141 ? -18.260 34.053 30.872 1.00 113.71 ? 141 ASP A OD2 1 ATOM 1108 N N . SER A 1 142 ? -23.278 36.649 31.343 1.00 68.26 ? 142 SER A N 1 ATOM 1109 C CA . SER A 1 142 ? -24.664 36.791 31.765 1.00 68.34 ? 142 SER A CA 1 ATOM 1110 C C . SER A 1 142 ? -25.156 38.207 31.506 1.00 69.61 ? 142 SER A C 1 ATOM 1111 O O . SER A 1 142 ? -24.811 39.143 32.231 1.00 69.62 ? 142 SER A O 1 ATOM 1112 C CB . SER A 1 142 ? -24.831 36.427 33.241 1.00 70.40 ? 142 SER A CB 1 ATOM 1113 O OG . SER A 1 142 ? -24.654 35.034 33.436 1.00 72.23 ? 142 SER A OG 1 ATOM 1114 N N . SER A 1 143 ? -25.959 38.348 30.454 1.00 73.68 ? 143 SER A N 1 ATOM 1115 C CA . SER A 1 143 ? -26.534 39.633 30.063 1.00 69.83 ? 143 SER A CA 1 ATOM 1116 C C . SER A 1 143 ? -28.033 39.479 29.839 1.00 63.97 ? 143 SER A C 1 ATOM 1117 O O . SER A 1 143 ? -28.648 38.546 30.353 1.00 67.42 ? 143 SER A O 1 ATOM 1118 C CB . SER A 1 143 ? -25.859 40.169 28.798 1.00 60.27 ? 143 SER A CB 1 ATOM 1119 O OG . SER A 1 143 ? -26.004 41.575 28.707 1.00 63.96 ? 143 SER A OG 1 ATOM 1120 N N . PHE A 1 144 ? -28.615 40.389 29.065 1.00 59.85 ? 144 PHE A N 1 ATOM 1121 C CA . PHE A 1 144 ? -30.036 40.325 28.731 1.00 55.64 ? 144 PHE A CA 1 ATOM 1122 C C . PHE A 1 144 ? -30.360 41.238 27.545 1.00 56.49 ? 144 PHE A C 1 ATOM 1123 O O . PHE A 1 144 ? -29.535 42.061 27.134 1.00 51.66 ? 144 PHE A O 1 ATOM 1124 C CB . PHE A 1 144 ? -30.881 40.710 29.944 1.00 52.34 ? 144 PHE A CB 1 ATOM 1125 C CG . PHE A 1 144 ? -32.305 40.214 29.892 1.00 49.72 ? 144 PHE A CG 1 ATOM 1126 C CD1 . PHE A 1 144 ? -32.587 38.853 29.922 1.00 48.45 ? 144 PHE A CD1 1 ATOM 1127 C CD2 . PHE A 1 144 ? -33.361 41.112 29.861 1.00 43.54 ? 144 PHE A CD2 1 ATOM 1128 C CE1 . PHE A 1 144 ? -33.898 38.397 29.900 1.00 39.28 ? 144 PHE A CE1 1 ATOM 1129 C CE2 . PHE A 1 144 ? -34.669 40.667 29.841 1.00 45.98 ? 144 PHE A CE2 1 ATOM 1130 C CZ . PHE A 1 144 ? -34.939 39.305 29.859 1.00 44.00 ? 144 PHE A CZ 1 ATOM 1131 N N . TYR A 1 145 ? -31.567 41.085 27.007 1.00 55.17 ? 145 TYR A N 1 ATOM 1132 C CA . TYR A 1 145 ? -32.027 41.859 25.860 1.00 51.22 ? 145 TYR A CA 1 ATOM 1133 C C . TYR A 1 145 ? -31.902 43.360 26.084 1.00 51.54 ? 145 TYR A C 1 ATOM 1134 O O . TYR A 1 145 ? -32.314 43.875 27.117 1.00 54.07 ? 145 TYR A O 1 ATOM 1135 C CB . TYR A 1 145 ? -33.473 41.500 25.541 1.00 47.32 ? 145 TYR A CB 1 ATOM 1136 C CG . TYR A 1 145 ? -33.679 40.028 25.294 1.00 46.00 ? 145 TYR A CG 1 ATOM 1137 C CD1 . TYR A 1 145 ? -33.359 39.459 24.067 1.00 47.90 ? 145 TYR A CD1 1 ATOM 1138 C CD2 . TYR A 1 145 ? -34.187 39.201 26.287 1.00 46.17 ? 145 TYR A CD2 1 ATOM 1139 C CE1 . TYR A 1 145 ? -33.548 38.106 23.835 1.00 45.14 ? 145 TYR A CE1 1 ATOM 1140 C CE2 . TYR A 1 145 ? -34.378 37.851 26.063 1.00 46.39 ? 145 TYR A CE2 1 ATOM 1141 C CZ . TYR A 1 145 ? -34.060 37.312 24.836 1.00 45.67 ? 145 TYR A CZ 1 ATOM 1142 O OH . TYR A 1 145 ? -34.246 35.969 24.611 1.00 49.48 ? 145 TYR A OH 1 ATOM 1143 N N . ARG A 1 146 ? -31.338 44.054 25.101 1.00 53.25 ? 146 ARG A N 1 ATOM 1144 C CA . ARG A 1 146 ? -31.086 45.487 25.202 1.00 49.20 ? 146 ARG A CA 1 ATOM 1145 C C . ARG A 1 146 ? -32.368 46.307 25.203 1.00 51.11 ? 146 ARG A C 1 ATOM 1146 O O . ARG A 1 146 ? -32.344 47.486 25.547 1.00 54.86 ? 146 ARG A O 1 ATOM 1147 C CB . ARG A 1 146 ? -30.196 45.949 24.045 1.00 51.06 ? 146 ARG A CB 1 ATOM 1148 C CG . ARG A 1 146 ? -28.896 45.170 23.899 1.00 58.13 ? 146 ARG A CG 1 ATOM 1149 C CD . ARG A 1 146 ? -27.770 45.780 24.717 1.00 62.18 ? 146 ARG A CD 1 ATOM 1150 N NE . ARG A 1 146 ? -26.507 45.063 24.534 1.00 67.19 ? 146 ARG A NE 1 ATOM 1151 C CZ . ARG A 1 146 ? -25.880 44.384 25.491 1.00 67.60 ? 146 ARG A CZ 1 ATOM 1152 N NH1 . ARG A 1 146 ? -26.385 44.331 26.718 1.00 62.19 ? 146 ARG A NH1 1 ATOM 1153 N NH2 . ARG A 1 146 ? -24.739 43.766 25.222 1.00 61.32 ? 146 ARG A NH2 1 ATOM 1154 N N . ASN A 1 147 ? -33.482 45.690 24.804 1.00 46.67 ? 147 ASN A N 1 ATOM 1155 C CA . ASN A 1 147 ? -34.752 46.406 24.683 1.00 49.35 ? 147 ASN A CA 1 ATOM 1156 C C . ASN A 1 147 ? -35.734 46.067 25.792 1.00 49.29 ? 147 ASN A C 1 ATOM 1157 O O . ASN A 1 147 ? -36.814 46.652 25.886 1.00 48.18 ? 147 ASN A O 1 ATOM 1158 C CB . ASN A 1 147 ? -35.402 46.122 23.324 1.00 49.93 ? 147 ASN A CB 1 ATOM 1159 C CG . ASN A 1 147 ? -34.553 46.596 22.171 1.00 47.80 ? 147 ASN A CG 1 ATOM 1160 O OD1 . ASN A 1 147 ? -33.776 47.543 22.311 1.00 44.94 ? 147 ASN A OD1 1 ATOM 1161 N ND2 . ASN A 1 147 ? -34.690 45.940 21.023 1.00 41.81 ? 147 ASN A ND2 1 ATOM 1162 N N . LEU A 1 148 ? -35.358 45.114 26.629 1.00 55.70 ? 148 LEU A N 1 ATOM 1163 C CA . LEU A 1 148 ? -36.190 44.727 27.752 1.00 56.80 ? 148 LEU A CA 1 ATOM 1164 C C . LEU A 1 148 ? -35.392 44.825 29.042 1.00 62.86 ? 148 LEU A C 1 ATOM 1165 O O . LEU A 1 148 ? -34.158 44.866 29.013 1.00 63.32 ? 148 LEU A O 1 ATOM 1166 C CB . LEU A 1 148 ? -36.721 43.306 27.559 1.00 57.73 ? 148 LEU A CB 1 ATOM 1167 C CG . LEU A 1 148 ? -37.534 43.078 26.284 1.00 54.80 ? 148 LEU A CG 1 ATOM 1168 C CD1 . LEU A 1 148 ? -37.970 41.630 26.180 1.00 51.07 ? 148 LEU A CD1 1 ATOM 1169 C CD2 . LEU A 1 148 ? -38.737 44.006 26.266 1.00 53.21 ? 148 LEU A CD2 1 ATOM 1170 N N . VAL A 1 149 ? -36.094 44.877 30.170 1.00 52.43 ? 149 VAL A N 1 ATOM 1171 C CA . VAL A 1 149 ? -35.431 44.808 31.465 1.00 54.91 ? 149 VAL A CA 1 ATOM 1172 C C . VAL A 1 149 ? -36.153 43.846 32.415 1.00 50.05 ? 149 VAL A C 1 ATOM 1173 O O . VAL A 1 149 ? -37.339 44.002 32.705 1.00 46.63 ? 149 VAL A O 1 ATOM 1174 C CB . VAL A 1 149 ? -35.303 46.205 32.119 1.00 56.35 ? 149 VAL A CB 1 ATOM 1175 C CG1 . VAL A 1 149 ? -36.599 46.982 32.021 1.00 58.25 ? 149 VAL A CG1 1 ATOM 1176 C CG2 . VAL A 1 149 ? -34.856 46.070 33.570 1.00 60.81 ? 149 VAL A CG2 1 ATOM 1177 N N . TRP A 1 150 ? -35.415 42.839 32.872 1.00 48.58 ? 150 TRP A N 1 ATOM 1178 C CA . TRP A 1 150 ? -35.918 41.849 33.817 1.00 55.44 ? 150 TRP A CA 1 ATOM 1179 C C . TRP A 1 150 ? -35.933 42.423 35.239 1.00 59.26 ? 150 TRP A C 1 ATOM 1180 O O . TRP A 1 150 ? -34.897 42.487 35.906 1.00 62.41 ? 150 TRP A O 1 ATOM 1181 C CB . TRP A 1 150 ? -35.058 40.583 33.746 1.00 51.13 ? 150 TRP A CB 1 ATOM 1182 C CG . TRP A 1 150 ? -35.605 39.382 34.471 1.00 51.59 ? 150 TRP A CG 1 ATOM 1183 C CD1 . TRP A 1 150 ? -36.613 39.357 35.396 1.00 50.97 ? 150 TRP A CD1 1 ATOM 1184 C CD2 . TRP A 1 150 ? -35.171 38.027 34.318 1.00 51.89 ? 150 TRP A CD2 1 ATOM 1185 N NE1 . TRP A 1 150 ? -36.828 38.072 35.825 1.00 49.63 ? 150 TRP A NE1 1 ATOM 1186 C CE2 . TRP A 1 150 ? -35.952 37.235 35.181 1.00 47.46 ? 150 TRP A CE2 1 ATOM 1187 C CE3 . TRP A 1 150 ? -34.192 37.403 33.532 1.00 52.12 ? 150 TRP A CE3 1 ATOM 1188 C CZ2 . TRP A 1 150 ? -35.793 35.854 35.280 1.00 53.32 ? 150 TRP A CZ2 1 ATOM 1189 C CZ3 . TRP A 1 150 ? -34.030 36.030 33.633 1.00 55.81 ? 150 TRP A CZ3 1 ATOM 1190 C CH2 . TRP A 1 150 ? -34.828 35.271 34.501 1.00 56.15 ? 150 TRP A CH2 1 ATOM 1191 N N . LEU A 1 151 ? -37.116 42.845 35.682 1.00 58.86 ? 151 LEU A N 1 ATOM 1192 C CA . LEU A 1 151 ? -37.272 43.464 36.985 1.00 62.75 ? 151 LEU A CA 1 ATOM 1193 C C . LEU A 1 151 ? -37.363 42.415 38.055 1.00 68.73 ? 151 LEU A C 1 ATOM 1194 O O . LEU A 1 151 ? -38.155 41.464 37.991 1.00 66.29 ? 151 LEU A O 1 ATOM 1195 C CB . LEU A 1 151 ? -38.505 44.360 37.044 1.00 69.04 ? 151 LEU A CB 1 ATOM 1196 C CG . LEU A 1 151 ? -38.513 45.464 35.991 1.00 65.48 ? 151 LEU A CG 1 ATOM 1197 C CD1 . LEU A 1 151 ? -39.798 46.264 36.045 1.00 59.77 ? 151 LEU A CD1 1 ATOM 1198 C CD2 . LEU A 1 151 ? -37.321 46.369 36.187 1.00 68.83 ? 151 LEU A CD2 1 ATOM 1199 N N . VAL A 1 152 ? -36.507 42.588 39.039 1.00 77.06 ? 152 VAL A N 1 ATOM 1200 C CA . VAL A 1 152 ? -36.554 41.738 40.193 1.00 80.13 ? 152 VAL A CA 1 ATOM 1201 C C . VAL A 1 152 ? -36.721 42.621 41.393 1.00 79.86 ? 152 VAL A C 1 ATOM 1202 O O . VAL A 1 152 ? -36.442 43.819 41.379 1.00 77.61 ? 152 VAL A O 1 ATOM 1203 C CB . VAL A 1 152 ? -35.282 40.861 40.353 1.00 78.99 ? 152 VAL A CB 1 ATOM 1204 C CG1 . VAL A 1 152 ? -35.407 39.865 41.530 1.00 84.49 ? 152 VAL A CG1 1 ATOM 1205 C CG2 . VAL A 1 152 ? -35.039 40.090 39.098 1.00 74.32 ? 152 VAL A CG2 1 ATOM 1206 N N . LYS A 1 153 ? -37.223 41.964 42.412 1.00 80.82 ? 153 LYS A N 1 ATOM 1207 C CA . LYS A 1 153 ? -37.249 42.355 43.790 1.00 85.86 ? 153 LYS A CA 1 ATOM 1208 C C . LYS A 1 153 ? -35.976 42.883 44.447 1.00 85.49 ? 153 LYS A C 1 ATOM 1209 O O . LYS A 1 153 ? -34.874 42.328 44.289 1.00 77.97 ? 153 LYS A O 1 ATOM 1210 C CB . LYS A 1 153 ? -37.674 41.135 44.531 1.00 86.17 ? 153 LYS A CB 1 ATOM 1211 C CG . LYS A 1 153 ? -38.971 41.271 44.888 1.00 88.49 ? 153 LYS A CG 1 ATOM 1212 C CD . LYS A 1 153 ? -39.027 40.965 46.264 1.00 88.73 ? 153 LYS A CD 1 ATOM 1213 C CE . LYS A 1 153 ? -40.030 41.833 46.701 1.00 94.47 ? 153 LYS A CE 1 ATOM 1214 N NZ . LYS A 1 153 ? -39.539 43.213 46.468 1.00 95.05 ? 153 LYS A NZ 1 ATOM 1215 N N . THR A 1 154 ? -36.145 43.941 45.231 1.00 89.55 ? 154 THR A N 1 ATOM 1216 C CA . THR A 1 154 ? -35.020 44.458 45.997 1.00 102.50 ? 154 THR A CA 1 ATOM 1217 C C . THR A 1 154 ? -34.717 43.648 47.263 1.00 106.83 ? 154 THR A C 1 ATOM 1218 O O . THR A 1 154 ? -35.193 42.522 47.422 1.00 102.13 ? 154 THR A O 1 ATOM 1219 C CB . THR A 1 154 ? -35.221 45.930 46.427 1.00 99.00 ? 154 THR A CB 1 ATOM 1220 O OG1 . THR A 1 154 ? -36.521 46.121 47.005 1.00 102.54 ? 154 THR A OG1 1 ATOM 1221 C CG2 . THR A 1 154 ? -35.049 46.850 45.238 1.00 85.48 ? 154 THR A CG2 1 ATOM 1222 N N . ASP A 1 155 ? -33.902 44.249 48.135 1.00 145.19 ? 155 ASP A N 1 ATOM 1223 C CA . ASP A 1 155 ? -33.460 43.687 49.427 1.00 150.01 ? 155 ASP A CA 1 ATOM 1224 C C . ASP A 1 155 ? -34.231 42.451 49.912 1.00 149.31 ? 155 ASP A C 1 ATOM 1225 O O . ASP A 1 155 ? -33.641 41.377 50.028 1.00 148.07 ? 155 ASP A O 1 ATOM 1226 C CB . ASP A 1 155 ? -33.501 44.788 50.507 1.00 152.98 ? 155 ASP A CB 1 ATOM 1227 C CG . ASP A 1 155 ? -34.864 45.468 50.617 1.00 157.97 ? 155 ASP A CG 1 ATOM 1228 O OD1 . ASP A 1 155 ? -35.902 44.778 50.519 1.00 169.52 ? 155 ASP A OD1 1 ATOM 1229 O OD2 . ASP A 1 155 ? -34.899 46.704 50.792 1.00 153.87 ? 155 ASP A OD2 1 ATOM 1230 N N . SER A 1 156 ? -35.535 42.635 50.165 1.00 124.09 ? 156 SER A N 1 ATOM 1231 C CA . SER A 1 156 ? -36.502 41.580 50.501 1.00 121.92 ? 156 SER A CA 1 ATOM 1232 C C . SER A 1 156 ? -37.912 42.113 50.833 1.00 113.73 ? 156 SER A C 1 ATOM 1233 O O . SER A 1 156 ? -38.830 41.331 51.036 1.00 108.53 ? 156 SER A O 1 ATOM 1234 C CB . SER A 1 156 ? -35.969 40.706 51.653 1.00 128.06 ? 156 SER A CB 1 ATOM 1235 O OG . SER A 1 156 ? -34.972 39.814 51.139 1.00 127.75 ? 156 SER A OG 1 ATOM 1236 N N . ALA A 1 157 ? -38.089 43.432 50.886 1.00 149.51 ? 157 ALA A N 1 ATOM 1237 C CA . ALA A 1 157 ? -39.434 44.055 51.029 1.00 146.97 ? 157 ALA A CA 1 ATOM 1238 C C . ALA A 1 157 ? -40.372 43.683 49.861 1.00 141.85 ? 157 ALA A C 1 ATOM 1239 O O . ALA A 1 157 ? -39.872 43.595 48.785 1.00 140.88 ? 157 ALA A O 1 ATOM 1240 C CB . ALA A 1 157 ? -39.291 45.543 51.089 1.00 143.25 ? 157 ALA A CB 1 ATOM 1241 N N . THR A 1 158 ? -41.692 43.571 50.030 1.00 132.14 ? 158 THR A N 1 ATOM 1242 C CA . THR A 1 158 ? -42.540 42.852 49.061 1.00 121.12 ? 158 THR A CA 1 ATOM 1243 C C . THR A 1 158 ? -42.788 43.533 47.693 1.00 117.12 ? 158 THR A C 1 ATOM 1244 O O . THR A 1 158 ? -42.901 44.739 47.691 1.00 119.98 ? 158 THR A O 1 ATOM 1245 C CB . THR A 1 158 ? -43.961 42.573 49.676 1.00 115.58 ? 158 THR A CB 1 ATOM 1246 O OG1 . THR A 1 158 ? -44.620 43.826 49.944 1.00 114.40 ? 158 THR A OG1 1 ATOM 1247 C CG2 . THR A 1 158 ? -43.855 41.735 50.960 1.00 114.11 ? 158 THR A CG2 1 ATOM 1248 N N . TYR A 1 159 ? -42.858 42.789 46.553 1.00 96.77 ? 159 TYR A N 1 ATOM 1249 C CA . TYR A 1 159 ? -42.858 43.356 45.165 1.00 86.36 ? 159 TYR A CA 1 ATOM 1250 C C . TYR A 1 159 ? -44.039 44.272 45.025 1.00 81.36 ? 159 TYR A C 1 ATOM 1251 O O . TYR A 1 159 ? -45.154 43.812 44.803 1.00 81.61 ? 159 TYR A O 1 ATOM 1252 C CB . TYR A 1 159 ? -42.908 42.264 44.069 1.00 85.94 ? 159 TYR A CB 1 ATOM 1253 C CG . TYR A 1 159 ? -42.484 42.703 42.659 1.00 80.95 ? 159 TYR A CG 1 ATOM 1254 C CD1 . TYR A 1 159 ? -43.142 43.730 41.982 1.00 77.75 ? 159 TYR A CD1 1 ATOM 1255 C CD2 . TYR A 1 159 ? -41.424 42.079 42.007 1.00 80.70 ? 159 TYR A CD2 1 ATOM 1256 C CE1 . TYR A 1 159 ? -42.747 44.133 40.687 1.00 77.30 ? 159 TYR A CE1 1 ATOM 1257 C CE2 . TYR A 1 159 ? -41.016 42.475 40.713 1.00 73.65 ? 159 TYR A CE2 1 ATOM 1258 C CZ . TYR A 1 159 ? -41.689 43.503 40.069 1.00 78.03 ? 159 TYR A CZ 1 ATOM 1259 O OH . TYR A 1 159 ? -41.298 43.893 38.811 1.00 79.95 ? 159 TYR A OH 1 ATOM 1260 N N . PRO A 1 160 ? -43.788 45.585 45.105 1.00 64.87 ? 160 PRO A N 1 ATOM 1261 C CA . PRO A 1 160 ? -44.860 46.576 45.110 1.00 65.48 ? 160 PRO A CA 1 ATOM 1262 C C . PRO A 1 160 ? -45.483 46.697 43.732 1.00 65.81 ? 160 PRO A C 1 ATOM 1263 O O . PRO A 1 160 ? -45.008 46.132 42.744 1.00 62.44 ? 160 PRO A O 1 ATOM 1264 C CB . PRO A 1 160 ? -44.137 47.860 45.517 1.00 61.47 ? 160 PRO A CB 1 ATOM 1265 C CG . PRO A 1 160 ? -42.759 47.691 44.957 1.00 62.37 ? 160 PRO A CG 1 ATOM 1266 C CD . PRO A 1 160 ? -42.464 46.206 44.925 1.00 66.97 ? 160 PRO A CD 1 ATOM 1267 N N . VAL A 1 161 ? -46.576 47.431 43.682 1.00 72.65 ? 161 VAL A N 1 ATOM 1268 C CA . VAL A 1 161 ? -47.191 47.746 42.424 1.00 66.00 ? 161 VAL A CA 1 ATOM 1269 C C . VAL A 1 161 ? -46.343 48.813 41.752 1.00 68.59 ? 161 VAL A C 1 ATOM 1270 O O . VAL A 1 161 ? -46.093 49.872 42.332 1.00 71.56 ? 161 VAL A O 1 ATOM 1271 C CB . VAL A 1 161 ? -48.623 48.214 42.628 1.00 65.63 ? 161 VAL A CB 1 ATOM 1272 C CG1 . VAL A 1 161 ? -49.202 48.698 41.327 1.00 66.41 ? 161 VAL A CG1 1 ATOM 1273 C CG2 . VAL A 1 161 ? -49.454 47.073 43.221 1.00 63.60 ? 161 VAL A CG2 1 ATOM 1274 N N . ILE A 1 162 ? -45.857 48.504 40.553 1.00 70.77 ? 162 ILE A N 1 ATOM 1275 C CA . ILE A 1 162 ? -45.086 49.456 39.761 1.00 69.67 ? 162 ILE A CA 1 ATOM 1276 C C . ILE A 1 162 ? -45.933 49.947 38.589 1.00 67.51 ? 162 ILE A C 1 ATOM 1277 O O . ILE A 1 162 ? -46.852 49.257 38.148 1.00 66.99 ? 162 ILE A O 1 ATOM 1278 C CB . ILE A 1 162 ? -43.778 48.834 39.249 1.00 68.79 ? 162 ILE A CB 1 ATOM 1279 C CG1 . ILE A 1 162 ? -44.072 47.721 38.242 1.00 69.94 ? 162 ILE A CG1 1 ATOM 1280 C CG2 . ILE A 1 162 ? -42.959 48.291 40.414 1.00 67.26 ? 162 ILE A CG2 1 ATOM 1281 C CD1 . ILE A 1 162 ? -42.854 46.892 37.870 1.00 65.08 ? 162 ILE A CD1 1 ATOM 1282 N N . LYS A 1 163 ? -45.636 51.145 38.097 1.00 62.37 ? 163 LYS A N 1 ATOM 1283 C CA . LYS A 1 163 ? -46.457 51.754 37.059 1.00 58.92 ? 163 LYS A CA 1 ATOM 1284 C C . LYS A 1 163 ? -45.637 52.605 36.090 1.00 63.95 ? 163 LYS A C 1 ATOM 1285 O O . LYS A 1 163 ? -44.720 53.319 36.499 1.00 63.81 ? 163 LYS A O 1 ATOM 1286 C CB . LYS A 1 163 ? -47.561 52.611 37.686 1.00 56.64 ? 163 LYS A CB 1 ATOM 1287 C CG . LYS A 1 163 ? -48.706 51.825 38.313 1.00 63.20 ? 163 LYS A CG 1 ATOM 1288 C CD . LYS A 1 163 ? -49.786 52.756 38.864 1.00 65.22 ? 163 LYS A CD 1 ATOM 1289 C CE . LYS A 1 163 ? -50.885 51.974 39.577 1.00 71.78 ? 163 LYS A CE 1 ATOM 1290 N NZ . LYS A 1 163 ? -51.948 52.863 40.143 1.00 69.86 ? 163 LYS A NZ 1 ATOM 1291 N N . GLY A 1 164 ? -45.985 52.529 34.806 1.00 58.71 ? 164 GLY A N 1 ATOM 1292 C CA . GLY A 1 164 ? -45.326 53.314 33.775 1.00 53.19 ? 164 GLY A CA 1 ATOM 1293 C C . GLY A 1 164 ? -46.312 53.857 32.757 1.00 54.16 ? 164 GLY A C 1 ATOM 1294 O O . GLY A 1 164 ? -47.366 53.263 32.522 1.00 55.57 ? 164 GLY A O 1 ATOM 1295 N N . THR A 1 165 ? -45.976 54.990 32.147 1.00 56.63 ? 165 THR A N 1 ATOM 1296 C CA . THR A 1 165 ? -46.867 55.614 31.175 1.00 58.72 ? 165 THR A CA 1 ATOM 1297 C C . THR A 1 165 ? -46.091 56.288 30.040 1.00 61.81 ? 165 THR A C 1 ATOM 1298 O O . THR A 1 165 ? -45.046 56.907 30.266 1.00 56.67 ? 165 THR A O 1 ATOM 1299 C CB . THR A 1 165 ? -47.791 56.647 31.856 1.00 62.63 ? 165 THR A CB 1 ATOM 1300 O OG1 . THR A 1 165 ? -48.542 55.997 32.889 1.00 70.11 ? 165 THR A OG1 1 ATOM 1301 C CG2 . THR A 1 165 ? -48.760 57.269 30.854 1.00 61.23 ? 165 THR A CG2 1 ATOM 1302 N N . TYR A 1 166 ? -46.605 56.150 28.818 1.00 52.12 ? 166 TYR A N 1 ATOM 1303 C CA . TYR A 1 166 ? -46.024 56.816 27.662 1.00 48.06 ? 166 TYR A CA 1 ATOM 1304 C C . TYR A 1 166 ? -47.125 57.314 26.722 1.00 52.17 ? 166 TYR A C 1 ATOM 1305 O O . TYR A 1 166 ? -47.847 56.506 26.146 1.00 53.50 ? 166 TYR A O 1 ATOM 1306 C CB . TYR A 1 166 ? -45.068 55.867 26.921 1.00 47.84 ? 166 TYR A CB 1 ATOM 1307 C CG . TYR A 1 166 ? -44.284 56.542 25.816 1.00 51.61 ? 166 TYR A CG 1 ATOM 1308 C CD1 . TYR A 1 166 ? -44.834 56.709 24.547 1.00 49.73 ? 166 TYR A CD1 1 ATOM 1309 C CD2 . TYR A 1 166 ? -43.005 57.030 26.044 1.00 45.04 ? 166 TYR A CD2 1 ATOM 1310 C CE1 . TYR A 1 166 ? -44.130 57.339 23.540 1.00 49.35 ? 166 TYR A CE1 1 ATOM 1311 C CE2 . TYR A 1 166 ? -42.293 57.663 25.043 1.00 51.49 ? 166 TYR A CE2 1 ATOM 1312 C CZ . TYR A 1 166 ? -42.861 57.813 23.790 1.00 53.37 ? 166 TYR A CZ 1 ATOM 1313 O OH . TYR A 1 166 ? -42.162 58.445 22.784 1.00 52.10 ? 166 TYR A OH 1 ATOM 1314 N N . ASN A 1 167 ? -47.281 58.632 26.583 1.00 57.43 ? 167 ASN A N 1 ATOM 1315 C CA . ASN A 1 167 ? -48.163 59.159 25.539 1.00 59.18 ? 167 ASN A CA 1 ATOM 1316 C C . ASN A 1 167 ? -47.330 59.351 24.271 1.00 60.73 ? 167 ASN A C 1 ATOM 1317 O O . ASN A 1 167 ? -46.373 60.124 24.254 1.00 63.41 ? 167 ASN A O 1 ATOM 1318 C CB . ASN A 1 167 ? -48.878 60.479 25.960 1.00 58.73 ? 167 ASN A CB 1 ATOM 1319 C CG . ASN A 1 167 ? -49.765 61.064 24.830 1.00 67.29 ? 167 ASN A CG 1 ATOM 1320 O OD1 . ASN A 1 167 ? -49.581 60.706 23.669 1.00 67.90 ? 167 ASN A OD1 1 ATOM 1321 N ND2 . ASN A 1 167 ? -50.718 61.953 25.140 1.00 66.01 ? 167 ASN A ND2 1 ATOM 1322 N N . ASN A 1 168 ? -47.707 58.635 23.212 1.00 52.90 ? 168 ASN A N 1 ATOM 1323 C CA . ASN A 1 168 ? -47.081 58.798 21.906 1.00 49.40 ? 168 ASN A CA 1 ATOM 1324 C C . ASN A 1 168 ? -47.563 60.087 21.263 1.00 52.50 ? 168 ASN A C 1 ATOM 1325 O O . ASN A 1 168 ? -48.668 60.158 20.719 1.00 50.10 ? 168 ASN A O 1 ATOM 1326 C CB . ASN A 1 168 ? -47.375 57.597 21.001 1.00 47.51 ? 168 ASN A CB 1 ATOM 1327 C CG . ASN A 1 168 ? -46.744 57.728 19.611 1.00 47.13 ? 168 ASN A CG 1 ATOM 1328 O OD1 . ASN A 1 168 ? -46.009 58.675 19.322 1.00 46.09 ? 168 ASN A OD1 1 ATOM 1329 N ND2 . ASN A 1 168 ? -47.028 56.760 18.750 1.00 42.57 ? 168 ASN A ND2 1 ATOM 1330 N N . THR A 1 169 ? -46.715 61.105 21.330 1.00 60.74 ? 169 THR A N 1 ATOM 1331 C CA . THR A 1 169 ? -47.077 62.444 20.894 1.00 63.15 ? 169 THR A CA 1 ATOM 1332 C C . THR A 1 169 ? -46.489 62.744 19.515 1.00 61.15 ? 169 THR A C 1 ATOM 1333 O O . THR A 1 169 ? -46.649 63.845 18.988 1.00 64.42 ? 169 THR A O 1 ATOM 1334 C CB . THR A 1 169 ? -46.604 63.507 21.926 1.00 67.66 ? 169 THR A CB 1 ATOM 1335 O OG1 . THR A 1 169 ? -45.177 63.464 22.057 1.00 67.75 ? 169 THR A OG1 1 ATOM 1336 C CG2 . THR A 1 169 ? -47.221 63.234 23.293 1.00 59.92 ? 169 THR A CG2 1 ATOM 1337 N N . GLY A 1 170 ? -45.815 61.751 18.937 1.00 55.58 ? 170 GLY A N 1 ATOM 1338 C CA . GLY A 1 170 ? -45.207 61.886 17.624 1.00 57.29 ? 170 GLY A CA 1 ATOM 1339 C C . GLY A 1 170 ? -46.142 61.538 16.474 1.00 56.53 ? 170 GLY A C 1 ATOM 1340 O O . GLY A 1 170 ? -47.345 61.352 16.669 1.00 54.23 ? 170 GLY A O 1 ATOM 1341 N N . THR A 1 171 ? -45.581 61.445 15.272 1.00 51.62 ? 171 THR A N 1 ATOM 1342 C CA . THR A 1 171 ? -46.360 61.169 14.065 1.00 54.94 ? 171 THR A CA 1 ATOM 1343 C C . THR A 1 171 ? -46.249 59.713 13.595 1.00 54.17 ? 171 THR A C 1 ATOM 1344 O O . THR A 1 171 ? -46.955 59.291 12.678 1.00 53.39 ? 171 THR A O 1 ATOM 1345 C CB . THR A 1 171 ? -45.919 62.084 12.903 1.00 59.58 ? 171 THR A CB 1 ATOM 1346 O OG1 . THR A 1 171 ? -44.514 61.914 12.671 1.00 60.82 ? 171 THR A OG1 1 ATOM 1347 C CG2 . THR A 1 171 ? -46.205 63.547 13.222 1.00 57.15 ? 171 THR A CG2 1 ATOM 1348 N N . GLN A 1 172 ? -45.361 58.950 14.221 1.00 48.18 ? 172 GLN A N 1 ATOM 1349 C CA . GLN A 1 172 ? -45.113 57.577 13.805 1.00 47.07 ? 172 GLN A CA 1 ATOM 1350 C C . GLN A 1 172 ? -45.561 56.557 14.844 1.00 46.45 ? 172 GLN A C 1 ATOM 1351 O O . GLN A 1 172 ? -45.456 56.795 16.050 1.00 45.88 ? 172 GLN A O 1 ATOM 1352 C CB . GLN A 1 172 ? -43.625 57.380 13.498 1.00 49.82 ? 172 GLN A CB 1 ATOM 1353 C CG . GLN A 1 172 ? -43.029 58.435 12.566 1.00 53.30 ? 172 GLN A CG 1 ATOM 1354 C CD . GLN A 1 172 ? -41.527 58.585 12.754 1.00 62.72 ? 172 GLN A CD 1 ATOM 1355 O OE1 . GLN A 1 172 ? -40.747 58.301 11.845 1.00 67.80 ? 172 GLN A OE1 1 ATOM 1356 N NE2 . GLN A 1 172 ? -41.115 59.027 13.945 1.00 57.33 ? 172 GLN A NE2 1 ATOM 1357 N N . PRO A 1 173 ? -46.068 55.408 14.374 1.00 42.97 ? 173 PRO A N 1 ATOM 1358 C CA . PRO A 1 173 ? -46.395 54.305 15.285 1.00 36.69 ? 173 PRO A CA 1 ATOM 1359 C C . PRO A 1 173 ? -45.147 53.757 15.976 1.00 37.39 ? 173 PRO A C 1 ATOM 1360 O O . PRO A 1 173 ? -44.052 53.827 15.422 1.00 34.90 ? 173 PRO A O 1 ATOM 1361 C CB . PRO A 1 173 ? -47.016 53.260 14.358 1.00 35.30 ? 173 PRO A CB 1 ATOM 1362 C CG . PRO A 1 173 ? -46.451 53.573 12.999 1.00 30.04 ? 173 PRO A CG 1 ATOM 1363 C CD . PRO A 1 173 ? -46.352 55.068 12.968 1.00 30.79 ? 173 PRO A CD 1 ATOM 1364 N N . ILE A 1 174 ? -45.317 53.217 17.178 1.00 39.57 ? 174 ILE A N 1 ATOM 1365 C CA . ILE A 1 174 ? -44.200 52.687 17.942 1.00 36.72 ? 174 ILE A CA 1 ATOM 1366 C C . ILE A 1 174 ? -44.317 51.175 18.141 1.00 37.94 ? 174 ILE A C 1 ATOM 1367 O O . ILE A 1 174 ? -45.314 50.689 18.670 1.00 37.22 ? 174 ILE A O 1 ATOM 1368 C CB . ILE A 1 174 ? -44.095 53.396 19.315 1.00 40.88 ? 174 ILE A CB 1 ATOM 1369 C CG1 . ILE A 1 174 ? -43.627 54.843 19.121 1.00 41.18 ? 174 ILE A CG1 1 ATOM 1370 C CG2 . ILE A 1 174 ? -43.159 52.643 20.248 1.00 36.67 ? 174 ILE A CG2 1 ATOM 1371 C CD1 . ILE A 1 174 ? -43.895 55.735 20.296 1.00 42.88 ? 174 ILE A CD1 1 ATOM 1372 N N . LEU A 1 175 ? -43.298 50.439 17.697 1.00 36.88 ? 175 LEU A N 1 ATOM 1373 C CA . LEU A 1 175 ? -43.210 48.999 17.936 1.00 38.02 ? 175 LEU A CA 1 ATOM 1374 C C . LEU A 1 175 ? -42.467 48.727 19.248 1.00 42.53 ? 175 LEU A C 1 ATOM 1375 O O . LEU A 1 175 ? -41.316 49.139 19.407 1.00 43.76 ? 175 LEU A O 1 ATOM 1376 C CB . LEU A 1 175 ? -42.496 48.306 16.769 1.00 34.72 ? 175 LEU A CB 1 ATOM 1377 C CG . LEU A 1 175 ? -42.212 46.801 16.874 1.00 36.62 ? 175 LEU A CG 1 ATOM 1378 C CD1 . LEU A 1 175 ? -43.490 45.988 16.776 1.00 29.82 ? 175 LEU A CD1 1 ATOM 1379 C CD2 . LEU A 1 175 ? -41.214 46.355 15.814 1.00 35.16 ? 175 LEU A CD2 1 ATOM 1380 N N . TYR A 1 176 ? -43.110 48.043 20.191 1.00 40.36 ? 176 TYR A N 1 ATOM 1381 C CA . TYR A 1 176 ? -42.464 47.776 21.480 1.00 39.57 ? 176 TYR A CA 1 ATOM 1382 C C . TYR A 1 176 ? -42.738 46.374 21.967 1.00 37.25 ? 176 TYR A C 1 ATOM 1383 O O . TYR A 1 176 ? -43.691 45.737 21.529 1.00 37.62 ? 176 TYR A O 1 ATOM 1384 C CB . TYR A 1 176 ? -42.916 48.779 22.545 1.00 37.21 ? 176 TYR A CB 1 ATOM 1385 C CG . TYR A 1 176 ? -44.383 48.700 22.884 1.00 36.96 ? 176 TYR A CG 1 ATOM 1386 C CD1 . TYR A 1 176 ? -45.332 49.334 22.092 1.00 38.86 ? 176 TYR A CD1 1 ATOM 1387 C CD2 . TYR A 1 176 ? -44.825 47.996 24.003 1.00 40.33 ? 176 TYR A CD2 1 ATOM 1388 C CE1 . TYR A 1 176 ? -46.687 49.263 22.399 1.00 40.14 ? 176 TYR A CE1 1 ATOM 1389 C CE2 . TYR A 1 176 ? -46.175 47.918 24.319 1.00 34.20 ? 176 TYR A CE2 1 ATOM 1390 C CZ . TYR A 1 176 ? -47.098 48.555 23.521 1.00 38.86 ? 176 TYR A CZ 1 ATOM 1391 O OH . TYR A 1 176 ? -48.436 48.482 23.833 1.00 41.37 ? 176 TYR A OH 1 ATOM 1392 N N . PHE A 1 177 ? -41.905 45.919 22.899 1.00 46.64 ? 177 PHE A N 1 ATOM 1393 C CA . PHE A 1 177 ? -41.946 44.550 23.409 1.00 43.84 ? 177 PHE A CA 1 ATOM 1394 C C . PHE A 1 177 ? -42.020 44.484 24.936 1.00 48.23 ? 177 PHE A C 1 ATOM 1395 O O . PHE A 1 177 ? -41.633 45.424 25.636 1.00 45.91 ? 177 PHE A O 1 ATOM 1396 C CB . PHE A 1 177 ? -40.716 43.783 22.924 1.00 42.69 ? 177 PHE A CB 1 ATOM 1397 C CG . PHE A 1 177 ? -40.515 43.854 21.440 1.00 47.76 ? 177 PHE A CG 1 ATOM 1398 C CD1 . PHE A 1 177 ? -39.838 44.923 20.868 1.00 41.63 ? 177 PHE A CD1 1 ATOM 1399 C CD2 . PHE A 1 177 ? -41.016 42.860 20.612 1.00 41.58 ? 177 PHE A CD2 1 ATOM 1400 C CE1 . PHE A 1 177 ? -39.663 44.997 19.497 1.00 41.37 ? 177 PHE A CE1 1 ATOM 1401 C CE2 . PHE A 1 177 ? -40.839 42.929 19.243 1.00 41.46 ? 177 PHE A CE2 1 ATOM 1402 C CZ . PHE A 1 177 ? -40.167 44.002 18.686 1.00 39.96 ? 177 PHE A CZ 1 ATOM 1403 N N . TRP A 1 178 ? -42.519 43.362 25.446 1.00 40.73 ? 178 TRP A N 1 ATOM 1404 C CA . TRP A 1 178 ? -42.538 43.112 26.879 1.00 42.05 ? 178 TRP A CA 1 ATOM 1405 C C . TRP A 1 178 ? -42.745 41.634 27.121 1.00 42.73 ? 178 TRP A C 1 ATOM 1406 O O . TRP A 1 178 ? -43.032 40.888 26.194 1.00 43.86 ? 178 TRP A O 1 ATOM 1407 C CB . TRP A 1 178 ? -43.631 43.929 27.582 1.00 43.89 ? 178 TRP A CB 1 ATOM 1408 C CG . TRP A 1 178 ? -45.041 43.426 27.396 1.00 46.86 ? 178 TRP A CG 1 ATOM 1409 C CD1 . TRP A 1 178 ? -45.750 42.634 28.255 1.00 49.44 ? 178 TRP A CD1 1 ATOM 1410 C CD2 . TRP A 1 178 ? -45.918 43.702 26.292 1.00 42.37 ? 178 TRP A CD2 1 ATOM 1411 N NE1 . TRP A 1 178 ? -47.009 42.394 27.752 1.00 44.70 ? 178 TRP A NE1 1 ATOM 1412 C CE2 . TRP A 1 178 ? -47.137 43.041 26.549 1.00 45.77 ? 178 TRP A CE2 1 ATOM 1413 C CE3 . TRP A 1 178 ? -45.788 44.444 25.110 1.00 41.06 ? 178 TRP A CE3 1 ATOM 1414 C CZ2 . TRP A 1 178 ? -48.221 43.101 25.669 1.00 39.47 ? 178 TRP A CZ2 1 ATOM 1415 C CZ3 . TRP A 1 178 ? -46.864 44.503 24.240 1.00 39.56 ? 178 TRP A CZ3 1 ATOM 1416 C CH2 . TRP A 1 178 ? -48.064 43.834 24.525 1.00 38.58 ? 178 TRP A CH2 1 ATOM 1417 N N . GLY A 1 179 ? -42.601 41.207 28.367 1.00 46.30 ? 179 GLY A N 1 ATOM 1418 C CA . GLY A 1 179 ? -42.738 39.799 28.677 1.00 46.33 ? 179 GLY A CA 1 ATOM 1419 C C . GLY A 1 179 ? -43.335 39.480 30.032 1.00 46.91 ? 179 GLY A C 1 ATOM 1420 O O . GLY A 1 179 ? -43.519 40.349 30.892 1.00 43.49 ? 179 GLY A O 1 ATOM 1421 N N . VAL A 1 180 ? -43.650 38.204 30.210 1.00 51.03 ? 180 VAL A N 1 ATOM 1422 C CA . VAL A 1 180 ? -44.084 37.687 31.499 1.00 54.18 ? 180 VAL A CA 1 ATOM 1423 C C . VAL A 1 180 ? -43.212 36.488 31.836 1.00 51.30 ? 180 VAL A C 1 ATOM 1424 O O . VAL A 1 180 ? -43.077 35.570 31.027 1.00 51.36 ? 180 VAL A O 1 ATOM 1425 C CB . VAL A 1 180 ? -45.570 37.285 31.486 1.00 53.42 ? 180 VAL A CB 1 ATOM 1426 C CG1 . VAL A 1 180 ? -45.944 36.573 32.776 1.00 54.36 ? 180 VAL A CG1 1 ATOM 1427 C CG2 . VAL A 1 180 ? -46.450 38.509 31.260 1.00 51.13 ? 180 VAL A CG2 1 ATOM 1428 N N . HIS A 1 181 ? -42.599 36.507 33.015 1.00 52.52 ? 181 HIS A N 1 ATOM 1429 C CA . HIS A 1 181 ? -41.729 35.410 33.425 1.00 54.28 ? 181 HIS A CA 1 ATOM 1430 C C . HIS A 1 181 ? -42.534 34.267 34.050 1.00 49.86 ? 181 HIS A C 1 ATOM 1431 O O . HIS A 1 181 ? -43.483 34.497 34.797 1.00 54.32 ? 181 HIS A O 1 ATOM 1432 C CB . HIS A 1 181 ? -40.658 35.912 34.397 1.00 53.56 ? 181 HIS A CB 1 ATOM 1433 C CG . HIS A 1 181 ? -39.589 34.904 34.684 1.00 58.90 ? 181 HIS A CG 1 ATOM 1434 N ND1 . HIS A 1 181 ? -39.294 34.470 35.959 1.00 59.38 ? 181 HIS A ND1 1 ATOM 1435 C CD2 . HIS A 1 181 ? -38.756 34.231 33.855 1.00 57.70 ? 181 HIS A CD2 1 ATOM 1436 C CE1 . HIS A 1 181 ? -38.321 33.578 35.902 1.00 61.60 ? 181 HIS A CE1 1 ATOM 1437 N NE2 . HIS A 1 181 ? -37.976 33.415 34.638 1.00 55.90 ? 181 HIS A NE2 1 ATOM 1438 N N . HIS A 1 182 ? -42.166 33.038 33.704 1.00 52.65 ? 182 HIS A N 1 ATOM 1439 C CA . HIS A 1 182 ? -42.786 31.836 34.258 1.00 55.05 ? 182 HIS A CA 1 ATOM 1440 C C . HIS A 1 182 ? -41.717 30.941 34.880 1.00 58.15 ? 182 HIS A C 1 ATOM 1441 O O . HIS A 1 182 ? -41.124 30.113 34.183 1.00 57.96 ? 182 HIS A O 1 ATOM 1442 C CB . HIS A 1 182 ? -43.538 31.042 33.177 1.00 60.70 ? 182 HIS A CB 1 ATOM 1443 C CG . HIS A 1 182 ? -44.577 31.828 32.439 1.00 56.14 ? 182 HIS A CG 1 ATOM 1444 N ND1 . HIS A 1 182 ? -45.813 32.117 32.974 1.00 59.62 ? 182 HIS A ND1 1 ATOM 1445 C CD2 . HIS A 1 182 ? -44.571 32.368 31.198 1.00 56.29 ? 182 HIS A CD2 1 ATOM 1446 C CE1 . HIS A 1 182 ? -46.521 32.810 32.100 1.00 57.91 ? 182 HIS A CE1 1 ATOM 1447 N NE2 . HIS A 1 182 ? -45.789 32.977 31.014 1.00 58.03 ? 182 HIS A NE2 1 ATOM 1448 N N . PRO A 1 183 ? -41.458 31.101 36.188 1.00 57.19 ? 183 PRO A N 1 ATOM 1449 C CA . PRO A 1 183 ? -40.449 30.273 36.863 1.00 57.91 ? 183 PRO A CA 1 ATOM 1450 C C . PRO A 1 183 ? -40.808 28.781 36.861 1.00 59.75 ? 183 PRO A C 1 ATOM 1451 O O . PRO A 1 183 ? -41.980 28.420 36.704 1.00 55.69 ? 183 PRO A O 1 ATOM 1452 C CB . PRO A 1 183 ? -40.433 30.832 38.293 1.00 59.61 ? 183 PRO A CB 1 ATOM 1453 C CG . PRO A 1 183 ? -41.038 32.197 38.184 1.00 59.98 ? 183 PRO A CG 1 ATOM 1454 C CD . PRO A 1 183 ? -42.060 32.091 37.098 1.00 57.79 ? 183 PRO A CD 1 ATOM 1455 N N . LEU A 1 184 ? -39.806 27.925 37.035 1.00 62.60 ? 184 LEU A N 1 ATOM 1456 C CA . LEU A 1 184 ? -40.032 26.484 37.020 1.00 62.64 ? 184 LEU A CA 1 ATOM 1457 C C . LEU A 1 184 ? -40.725 25.973 38.293 1.00 67.49 ? 184 LEU A C 1 ATOM 1458 O O . LEU A 1 184 ? -41.539 25.052 38.223 1.00 66.47 ? 184 LEU A O 1 ATOM 1459 C CB . LEU A 1 184 ? -38.705 25.752 36.790 1.00 64.93 ? 184 LEU A CB 1 ATOM 1460 C CG . LEU A 1 184 ? -37.586 25.833 37.827 1.00 68.30 ? 184 LEU A CG 1 ATOM 1461 C CD1 . LEU A 1 184 ? -37.675 24.654 38.770 1.00 75.58 ? 184 LEU A CD1 1 ATOM 1462 C CD2 . LEU A 1 184 ? -36.227 25.882 37.150 1.00 70.08 ? 184 LEU A CD2 1 ATOM 1463 N N . ASP A 1 185 ? -40.415 26.564 39.448 1.00 75.57 ? 185 ASP A N 1 ATOM 1464 C CA . ASP A 1 185 ? -41.103 26.193 40.689 1.00 77.15 ? 185 ASP A CA 1 ATOM 1465 C C . ASP A 1 185 ? -41.455 27.409 41.545 1.00 78.17 ? 185 ASP A C 1 ATOM 1466 O O . ASP A 1 185 ? -41.102 28.543 41.213 1.00 80.16 ? 185 ASP A O 1 ATOM 1467 C CB . ASP A 1 185 ? -40.271 25.192 41.508 1.00 75.97 ? 185 ASP A CB 1 ATOM 1468 C CG . ASP A 1 185 ? -38.887 25.718 41.879 1.00 84.39 ? 185 ASP A CG 1 ATOM 1469 O OD1 . ASP A 1 185 ? -38.740 26.926 42.174 1.00 82.99 ? 185 ASP A OD1 1 ATOM 1470 O OD2 . ASP A 1 185 ? -37.938 24.902 41.894 1.00 87.71 ? 185 ASP A OD2 1 ATOM 1471 N N . THR A 1 186 ? -42.140 27.151 42.655 1.00 66.02 ? 186 THR A N 1 ATOM 1472 C CA . THR A 1 186 ? -42.664 28.205 43.523 1.00 69.22 ? 186 THR A CA 1 ATOM 1473 C C . THR A 1 186 ? -41.611 28.886 44.399 1.00 65.42 ? 186 THR A C 1 ATOM 1474 O O . THR A 1 186 ? -41.866 29.953 44.955 1.00 63.24 ? 186 THR A O 1 ATOM 1475 C CB . THR A 1 186 ? -43.769 27.653 44.445 1.00 69.37 ? 186 THR A CB 1 ATOM 1476 O OG1 . THR A 1 186 ? -43.284 26.492 45.134 1.00 72.53 ? 186 THR A OG1 1 ATOM 1477 C CG2 . THR A 1 186 ? -45.004 27.276 43.633 1.00 61.40 ? 186 THR A CG2 1 ATOM 1478 N N . THR A 1 187 ? -40.438 28.277 44.536 1.00 71.72 ? 187 THR A N 1 ATOM 1479 C CA . THR A 1 187 ? -39.395 28.882 45.359 1.00 78.62 ? 187 THR A CA 1 ATOM 1480 C C . THR A 1 187 ? -38.593 29.891 44.543 1.00 79.57 ? 187 THR A C 1 ATOM 1481 O O . THR A 1 187 ? -38.232 30.956 45.051 1.00 80.42 ? 187 THR A O 1 ATOM 1482 C CB . THR A 1 187 ? -38.443 27.826 45.980 1.00 80.36 ? 187 THR A CB 1 ATOM 1483 O OG1 . THR A 1 187 ? -38.100 26.838 45.002 1.00 82.82 ? 187 THR A OG1 1 ATOM 1484 C CG2 . THR A 1 187 ? -39.112 27.138 47.169 1.00 81.54 ? 187 THR A CG2 1 ATOM 1485 N N . VAL A 1 188 ? -38.325 29.562 43.280 1.00 77.77 ? 188 VAL A N 1 ATOM 1486 C CA . VAL A 1 188 ? -37.702 30.512 42.361 1.00 71.89 ? 188 VAL A CA 1 ATOM 1487 C C . VAL A 1 188 ? -38.599 31.742 42.235 1.00 69.94 ? 188 VAL A C 1 ATOM 1488 O O . VAL A 1 188 ? -38.121 32.879 42.228 1.00 70.25 ? 188 VAL A O 1 ATOM 1489 C CB . VAL A 1 188 ? -37.448 29.888 40.967 1.00 73.80 ? 188 VAL A CB 1 ATOM 1490 C CG1 . VAL A 1 188 ? -37.082 30.962 39.946 1.00 66.16 ? 188 VAL A CG1 1 ATOM 1491 C CG2 . VAL A 1 188 ? -36.354 28.831 41.046 1.00 71.95 ? 188 VAL A CG2 1 ATOM 1492 N N . GLN A 1 189 ? -39.904 31.497 42.156 1.00 58.70 ? 189 GLN A N 1 ATOM 1493 C CA . GLN A 1 189 ? -40.904 32.558 42.155 1.00 57.37 ? 189 GLN A CA 1 ATOM 1494 C C . GLN A 1 189 ? -40.746 33.457 43.367 1.00 60.31 ? 189 GLN A C 1 ATOM 1495 O O . GLN A 1 189 ? -40.695 34.680 43.247 1.00 59.24 ? 189 GLN A O 1 ATOM 1496 C CB . GLN A 1 189 ? -42.315 31.960 42.132 1.00 60.72 ? 189 GLN A CB 1 ATOM 1497 C CG . GLN A 1 189 ? -43.445 32.961 42.361 1.00 57.61 ? 189 GLN A CG 1 ATOM 1498 C CD . GLN A 1 189 ? -43.701 33.848 41.155 1.00 58.90 ? 189 GLN A CD 1 ATOM 1499 O OE1 . GLN A 1 189 ? -43.221 33.574 40.058 1.00 61.86 ? 189 GLN A OE1 1 ATOM 1500 N NE2 . GLN A 1 189 ? -44.463 34.917 41.353 1.00 58.10 ? 189 GLN A NE2 1 ATOM 1501 N N . ASP A 1 190 ? -40.657 32.833 44.539 1.00 83.57 ? 190 ASP A N 1 ATOM 1502 C CA . ASP A 1 190 ? -40.596 33.556 45.801 1.00 78.84 ? 190 ASP A CA 1 ATOM 1503 C C . ASP A 1 190 ? -39.278 34.315 45.933 1.00 75.76 ? 190 ASP A C 1 ATOM 1504 O O . ASP A 1 190 ? -39.251 35.454 46.397 1.00 73.46 ? 190 ASP A O 1 ATOM 1505 C CB . ASP A 1 190 ? -40.780 32.589 46.971 1.00 83.17 ? 190 ASP A CB 1 ATOM 1506 C CG . ASP A 1 190 ? -41.417 33.252 48.179 1.00 92.53 ? 190 ASP A CG 1 ATOM 1507 O OD1 . ASP A 1 190 ? -40.691 33.928 48.944 1.00 93.91 ? 190 ASP A OD1 1 ATOM 1508 O OD2 . ASP A 1 190 ? -42.645 33.098 48.363 1.00 93.88 ? 190 ASP A OD2 1 ATOM 1509 N N . ASN A 1 191 ? -38.190 33.679 45.508 1.00 73.30 ? 191 ASN A N 1 ATOM 1510 C CA . ASN A 1 191 ? -36.869 34.297 45.547 1.00 77.94 ? 191 ASN A CA 1 ATOM 1511 C C . ASN A 1 191 ? -36.750 35.559 44.688 1.00 80.41 ? 191 ASN A C 1 ATOM 1512 O O . ASN A 1 191 ? -35.893 36.407 44.943 1.00 81.31 ? 191 ASN A O 1 ATOM 1513 C CB . ASN A 1 191 ? -35.803 33.288 45.111 1.00 81.38 ? 191 ASN A CB 1 ATOM 1514 C CG . ASN A 1 191 ? -35.534 32.225 46.166 1.00 88.19 ? 191 ASN A CG 1 ATOM 1515 O OD1 . ASN A 1 191 ? -35.722 32.455 47.364 1.00 87.57 ? 191 ASN A OD1 1 ATOM 1516 N ND2 . ASN A 1 191 ? -35.077 31.058 45.726 1.00 87.93 ? 191 ASN A ND2 1 ATOM 1517 N N . LEU A 1 192 ? -37.610 35.683 43.677 1.00 76.28 ? 192 LEU A N 1 ATOM 1518 C CA . LEU A 1 192 ? -37.519 36.793 42.728 1.00 71.76 ? 192 LEU A CA 1 ATOM 1519 C C . LEU A 1 192 ? -38.627 37.833 42.871 1.00 66.66 ? 192 LEU A C 1 ATOM 1520 O O . LEU A 1 192 ? -38.383 39.016 42.661 1.00 63.91 ? 192 LEU A O 1 ATOM 1521 C CB . LEU A 1 192 ? -37.515 36.263 41.290 1.00 67.44 ? 192 LEU A CB 1 ATOM 1522 C CG . LEU A 1 192 ? -36.156 36.017 40.624 1.00 68.33 ? 192 LEU A CG 1 ATOM 1523 C CD1 . LEU A 1 192 ? -35.268 35.114 41.463 1.00 73.43 ? 192 LEU A CD1 1 ATOM 1524 C CD2 . LEU A 1 192 ? -36.342 35.425 39.236 1.00 64.15 ? 192 LEU A CD2 1 ATOM 1525 N N . TYR A 1 193 ? -39.839 37.404 43.215 1.00 66.71 ? 193 TYR A N 1 ATOM 1526 C CA . TYR A 1 193 ? -40.979 38.325 43.226 1.00 72.31 ? 193 TYR A CA 1 ATOM 1527 C C . TYR A 1 193 ? -41.753 38.297 44.541 1.00 75.73 ? 193 TYR A C 1 ATOM 1528 O O . TYR A 1 193 ? -42.667 39.098 44.751 1.00 79.38 ? 193 TYR A O 1 ATOM 1529 C CB . TYR A 1 193 ? -41.930 38.006 42.064 1.00 71.37 ? 193 TYR A CB 1 ATOM 1530 C CG . TYR A 1 193 ? -41.219 37.701 40.765 1.00 63.24 ? 193 TYR A CG 1 ATOM 1531 C CD1 . TYR A 1 193 ? -40.577 38.704 40.046 1.00 63.45 ? 193 TYR A CD1 1 ATOM 1532 C CD2 . TYR A 1 193 ? -41.177 36.405 40.266 1.00 64.15 ? 193 TYR A CD2 1 ATOM 1533 C CE1 . TYR A 1 193 ? -39.916 38.425 38.856 1.00 62.65 ? 193 TYR A CE1 1 ATOM 1534 C CE2 . TYR A 1 193 ? -40.519 36.115 39.081 1.00 69.36 ? 193 TYR A CE2 1 ATOM 1535 C CZ . TYR A 1 193 ? -39.894 37.129 38.376 1.00 65.23 ? 193 TYR A CZ 1 ATOM 1536 O OH . TYR A 1 193 ? -39.245 36.834 37.197 1.00 55.66 ? 193 TYR A OH 1 ATOM 1537 N N . GLY A 1 194 ? -41.390 37.373 45.422 1.00 80.60 ? 194 GLY A N 1 ATOM 1538 C CA . GLY A 1 194 ? -42.071 37.238 46.695 1.00 78.79 ? 194 GLY A CA 1 ATOM 1539 C C . GLY A 1 194 ? -43.371 36.469 46.573 1.00 84.03 ? 194 GLY A C 1 ATOM 1540 O O . GLY A 1 194 ? -43.634 35.831 45.549 1.00 81.96 ? 194 GLY A O 1 ATOM 1541 N N . SER A 1 195 ? -44.190 36.538 47.620 1.00 85.21 ? 195 SER A N 1 ATOM 1542 C CA . SER A 1 195 ? -45.423 35.759 47.683 1.00 83.48 ? 195 SER A CA 1 ATOM 1543 C C . SER A 1 195 ? -46.627 36.563 47.204 1.00 78.82 ? 195 SER A C 1 ATOM 1544 O O . SER A 1 195 ? -46.554 37.785 47.047 1.00 75.03 ? 195 SER A O 1 ATOM 1545 C CB . SER A 1 195 ? -45.671 35.255 49.109 1.00 81.46 ? 195 SER A CB 1 ATOM 1546 O OG . SER A 1 195 ? -45.906 36.334 49.998 1.00 82.26 ? 195 SER A OG 1 ATOM 1547 N N . GLY A 1 196 ? -47.734 35.866 46.975 1.00 65.94 ? 196 GLY A N 1 ATOM 1548 C CA . GLY A 1 196 ? -48.952 36.503 46.514 1.00 66.81 ? 196 GLY A CA 1 ATOM 1549 C C . GLY A 1 196 ? -49.231 36.260 45.043 1.00 67.89 ? 196 GLY A C 1 ATOM 1550 O O . GLY A 1 196 ? -48.335 35.910 44.267 1.00 57.29 ? 196 GLY A O 1 ATOM 1551 N N . ASP A 1 197 ? -50.492 36.442 44.666 1.00 84.47 ? 197 ASP A N 1 ATOM 1552 C CA . ASP A 1 197 ? -50.902 36.330 43.274 1.00 80.23 ? 197 ASP A CA 1 ATOM 1553 C C . ASP A 1 197 ? -50.353 37.498 42.466 1.00 76.64 ? 197 ASP A C 1 ATOM 1554 O O . ASP A 1 197 ? -50.618 38.661 42.779 1.00 77.12 ? 197 ASP A O 1 ATOM 1555 C CB . ASP A 1 197 ? -52.427 36.273 43.165 1.00 76.56 ? 197 ASP A CB 1 ATOM 1556 C CG . ASP A 1 197 ? -53.004 34.997 43.746 1.00 84.12 ? 197 ASP A CG 1 ATOM 1557 O OD1 . ASP A 1 197 ? -52.230 34.034 43.950 1.00 86.56 ? 197 ASP A OD1 1 ATOM 1558 O OD2 . ASP A 1 197 ? -54.228 34.953 43.992 1.00 86.08 ? 197 ASP A OD2 1 ATOM 1559 N N . LYS A 1 198 ? -49.585 37.182 41.427 1.00 64.52 ? 198 LYS A N 1 ATOM 1560 C CA . LYS A 1 198 ? -48.954 38.210 40.608 1.00 62.65 ? 198 LYS A CA 1 ATOM 1561 C C . LYS A 1 198 ? -49.657 38.397 39.268 1.00 57.20 ? 198 LYS A C 1 ATOM 1562 O O . LYS A 1 198 ? -50.293 37.481 38.742 1.00 53.35 ? 198 LYS A O 1 ATOM 1563 C CB . LYS A 1 198 ? -47.480 37.879 40.378 1.00 58.75 ? 198 LYS A CB 1 ATOM 1564 C CG . LYS A 1 198 ? -46.673 37.729 41.657 1.00 64.86 ? 198 LYS A CG 1 ATOM 1565 C CD . LYS A 1 198 ? -46.764 38.979 42.522 1.00 62.62 ? 198 LYS A CD 1 ATOM 1566 C CE . LYS A 1 198 ? -45.878 38.865 43.756 1.00 69.16 ? 198 LYS A CE 1 ATOM 1567 N NZ . LYS A 1 198 ? -45.785 40.149 44.516 1.00 71.61 ? 198 LYS A NZ 1 ATOM 1568 N N . TYR A 1 199 ? -49.529 39.600 38.721 1.00 67.08 ? 199 TYR A N 1 ATOM 1569 C CA . TYR A 1 199 ? -50.153 39.928 37.450 1.00 65.51 ? 199 TYR A CA 1 ATOM 1570 C C . TYR A 1 199 ? -49.301 40.889 36.630 1.00 66.52 ? 199 TYR A C 1 ATOM 1571 O O . TYR A 1 199 ? -48.465 41.627 37.167 1.00 60.12 ? 199 TYR A O 1 ATOM 1572 C CB . TYR A 1 199 ? -51.534 40.538 37.681 1.00 65.13 ? 199 TYR A CB 1 ATOM 1573 C CG . TYR A 1 199 ? -51.500 41.847 38.445 1.00 70.93 ? 199 TYR A CG 1 ATOM 1574 C CD1 . TYR A 1 199 ? -51.353 43.062 37.779 1.00 67.73 ? 199 TYR A CD1 1 ATOM 1575 C CD2 . TYR A 1 199 ? -51.620 41.870 39.831 1.00 70.31 ? 199 TYR A CD2 1 ATOM 1576 C CE1 . TYR A 1 199 ? -51.325 44.259 38.470 1.00 70.50 ? 199 TYR A CE1 1 ATOM 1577 C CE2 . TYR A 1 199 ? -51.594 43.063 40.531 1.00 71.11 ? 199 TYR A CE2 1 ATOM 1578 C CZ . TYR A 1 199 ? -51.445 44.254 39.846 1.00 74.88 ? 199 TYR A CZ 1 ATOM 1579 O OH . TYR A 1 199 ? -51.415 45.446 40.534 1.00 78.56 ? 199 TYR A OH 1 ATOM 1580 N N . VAL A 1 200 ? -49.524 40.870 35.320 1.00 61.84 ? 200 VAL A N 1 ATOM 1581 C CA . VAL A 1 200 ? -48.971 41.876 34.427 1.00 54.00 ? 200 VAL A CA 1 ATOM 1582 C C . VAL A 1 200 ? -50.103 42.405 33.561 1.00 52.54 ? 200 VAL A C 1 ATOM 1583 O O . VAL A 1 200 ? -50.706 41.662 32.793 1.00 52.19 ? 200 VAL A O 1 ATOM 1584 C CB . VAL A 1 200 ? -47.841 41.315 33.552 1.00 55.21 ? 200 VAL A CB 1 ATOM 1585 C CG1 . VAL A 1 200 ? -47.465 42.317 32.472 1.00 58.24 ? 200 VAL A CG1 1 ATOM 1586 C CG2 . VAL A 1 200 ? -46.627 40.973 34.404 1.00 49.18 ? 200 VAL A CG2 1 ATOM 1587 N N . ARG A 1 201 ? -50.413 43.687 33.709 1.00 62.38 ? 201 ARG A N 1 ATOM 1588 C CA . ARG A 1 201 ? -51.529 44.274 32.983 1.00 60.07 ? 201 ARG A CA 1 ATOM 1589 C C . ARG A 1 201 ? -51.084 45.467 32.153 1.00 56.12 ? 201 ARG A C 1 ATOM 1590 O O . ARG A 1 201 ? -50.210 46.224 32.557 1.00 56.85 ? 201 ARG A O 1 ATOM 1591 C CB . ARG A 1 201 ? -52.644 44.665 33.954 1.00 56.79 ? 201 ARG A CB 1 ATOM 1592 C CG . ARG A 1 201 ? -53.527 43.480 34.296 1.00 61.99 ? 201 ARG A CG 1 ATOM 1593 C CD . ARG A 1 201 ? -54.264 43.639 35.604 1.00 64.92 ? 201 ARG A CD 1 ATOM 1594 N NE . ARG A 1 201 ? -54.778 42.350 36.063 1.00 67.85 ? 201 ARG A NE 1 ATOM 1595 C CZ . ARG A 1 201 ? -55.062 42.066 37.331 1.00 74.03 ? 201 ARG A CZ 1 ATOM 1596 N NH1 . ARG A 1 201 ? -54.887 42.986 38.273 1.00 68.78 ? 201 ARG A NH1 1 ATOM 1597 N NH2 . ARG A 1 201 ? -55.523 40.864 37.657 1.00 73.11 ? 201 ARG A NH2 1 ATOM 1598 N N . MET A 1 202 ? -51.693 45.618 30.983 1.00 58.40 ? 202 MET A N 1 ATOM 1599 C CA . MET A 1 202 ? -51.245 46.598 30.005 1.00 59.14 ? 202 MET A CA 1 ATOM 1600 C C . MET A 1 202 ? -52.420 47.077 29.159 1.00 57.84 ? 202 MET A C 1 ATOM 1601 O O . MET A 1 202 ? -53.275 46.281 28.779 1.00 57.10 ? 202 MET A O 1 ATOM 1602 C CB . MET A 1 202 ? -50.153 45.987 29.122 1.00 60.36 ? 202 MET A CB 1 ATOM 1603 C CG . MET A 1 202 ? -48.932 46.859 28.947 1.00 70.77 ? 202 MET A CG 1 ATOM 1604 S SD . MET A 1 202 ? -47.415 45.905 28.744 1.00 71.61 ? 202 MET A SD 1 ATOM 1605 C CE . MET A 1 202 ? -47.323 45.126 30.336 1.00 65.13 ? 202 MET A CE 1 ATOM 1606 N N . GLY A 1 203 ? -52.468 48.372 28.865 1.00 48.81 ? 203 GLY A N 1 ATOM 1607 C CA . GLY A 1 203 ? -53.595 48.918 28.132 1.00 47.88 ? 203 GLY A CA 1 ATOM 1608 C C . GLY A 1 203 ? -53.344 50.222 27.397 1.00 52.61 ? 203 GLY A C 1 ATOM 1609 O O . GLY A 1 203 ? -52.578 51.071 27.856 1.00 51.89 ? 203 GLY A O 1 ATOM 1610 N N . THR A 1 204 ? -53.986 50.363 26.238 1.00 51.11 ? 204 THR A N 1 ATOM 1611 C CA . THR A 1 204 ? -54.009 51.614 25.489 1.00 52.11 ? 204 THR A CA 1 ATOM 1612 C C . THR A 1 204 ? -55.455 51.983 25.221 1.00 52.36 ? 204 THR A C 1 ATOM 1613 O O . THR A 1 204 ? -56.363 51.400 25.806 1.00 54.97 ? 204 THR A O 1 ATOM 1614 C CB . THR A 1 204 ? -53.254 51.521 24.143 1.00 49.55 ? 204 THR A CB 1 ATOM 1615 O OG1 . THR A 1 204 ? -53.995 50.705 23.226 1.00 52.94 ? 204 THR A OG1 1 ATOM 1616 C CG2 . THR A 1 204 ? -51.873 50.934 24.341 1.00 47.25 ? 204 THR A CG2 1 ATOM 1617 N N . GLU A 1 205 ? -55.673 52.938 24.323 1.00 58.68 ? 205 GLU A N 1 ATOM 1618 C CA . GLU A 1 205 ? -57.027 53.336 23.959 1.00 57.94 ? 205 GLU A CA 1 ATOM 1619 C C . GLU A 1 205 ? -57.756 52.221 23.212 1.00 60.00 ? 205 GLU A C 1 ATOM 1620 O O . GLU A 1 205 ? -58.983 52.231 23.119 1.00 64.89 ? 205 GLU A O 1 ATOM 1621 C CB . GLU A 1 205 ? -57.007 54.606 23.103 1.00 58.09 ? 205 GLU A CB 1 ATOM 1622 C CG . GLU A 1 205 ? -56.911 55.906 23.888 1.00 57.83 ? 205 GLU A CG 1 ATOM 1623 C CD . GLU A 1 205 ? -55.484 56.284 24.241 1.00 64.85 ? 205 GLU A CD 1 ATOM 1624 O OE1 . GLU A 1 205 ? -55.278 57.377 24.814 1.00 69.72 ? 205 GLU A OE1 1 ATOM 1625 O OE2 . GLU A 1 205 ? -54.565 55.491 23.943 1.00 61.89 ? 205 GLU A OE2 1 ATOM 1626 N N . SER A 1 206 ? -57.000 51.255 22.694 1.00 60.29 ? 206 SER A N 1 ATOM 1627 C CA . SER A 1 206 ? -57.568 50.225 21.826 1.00 60.83 ? 206 SER A CA 1 ATOM 1628 C C . SER A 1 206 ? -57.074 48.807 22.122 1.00 61.47 ? 206 SER A C 1 ATOM 1629 O O . SER A 1 206 ? -57.495 47.856 21.464 1.00 67.76 ? 206 SER A O 1 ATOM 1630 C CB . SER A 1 206 ? -57.266 50.561 20.363 1.00 60.57 ? 206 SER A CB 1 ATOM 1631 O OG . SER A 1 206 ? -55.891 50.372 20.078 1.00 58.73 ? 206 SER A OG 1 ATOM 1632 N N . MET A 1 207 ? -56.184 48.664 23.099 1.00 60.70 ? 207 MET A N 1 ATOM 1633 C CA . MET A 1 207 ? -55.604 47.360 23.422 1.00 58.53 ? 207 MET A CA 1 ATOM 1634 C C . MET A 1 207 ? -55.680 47.074 24.919 1.00 54.40 ? 207 MET A C 1 ATOM 1635 O O . MET A 1 207 ? -55.501 47.973 25.727 1.00 53.76 ? 207 MET A O 1 ATOM 1636 C CB . MET A 1 207 ? -54.147 47.296 22.944 1.00 52.94 ? 207 MET A CB 1 ATOM 1637 C CG . MET A 1 207 ? -53.469 45.946 23.138 1.00 57.53 ? 207 MET A CG 1 ATOM 1638 S SD . MET A 1 207 ? -52.606 45.755 24.717 1.00 62.27 ? 207 MET A SD 1 ATOM 1639 C CE . MET A 1 207 ? -51.162 46.792 24.492 1.00 51.41 ? 207 MET A CE 1 ATOM 1640 N N . ASN A 1 208 ? -55.957 45.821 25.274 1.00 60.41 ? 208 ASN A N 1 ATOM 1641 C CA . ASN A 1 208 ? -55.927 45.362 26.664 1.00 56.87 ? 208 ASN A CA 1 ATOM 1642 C C . ASN A 1 208 ? -55.052 44.123 26.800 1.00 59.41 ? 208 ASN A C 1 ATOM 1643 O O . ASN A 1 208 ? -55.067 43.245 25.936 1.00 55.47 ? 208 ASN A O 1 ATOM 1644 C CB . ASN A 1 208 ? -57.332 45.038 27.182 1.00 55.77 ? 208 ASN A CB 1 ATOM 1645 C CG . ASN A 1 208 ? -58.229 46.257 27.262 1.00 67.87 ? 208 ASN A CG 1 ATOM 1646 O OD1 . ASN A 1 208 ? -57.760 47.376 27.472 1.00 70.95 ? 208 ASN A OD1 1 ATOM 1647 N ND2 . ASN A 1 208 ? -59.532 46.045 27.090 1.00 64.81 ? 208 ASN A ND2 1 ATOM 1648 N N . PHE A 1 209 ? -54.298 44.048 27.889 1.00 48.31 ? 209 PHE A N 1 ATOM 1649 C CA . PHE A 1 209 ? -53.474 42.884 28.152 1.00 48.55 ? 209 PHE A CA 1 ATOM 1650 C C . PHE A 1 209 ? -53.493 42.559 29.638 1.00 49.66 ? 209 PHE A C 1 ATOM 1651 O O . PHE A 1 209 ? -53.465 43.458 30.481 1.00 51.25 ? 209 PHE A O 1 ATOM 1652 C CB . PHE A 1 209 ? -52.037 43.112 27.673 1.00 48.59 ? 209 PHE A CB 1 ATOM 1653 C CG . PHE A 1 209 ? -51.111 41.963 27.974 1.00 47.75 ? 209 PHE A CG 1 ATOM 1654 C CD1 . PHE A 1 209 ? -51.005 40.889 27.096 1.00 44.33 ? 209 PHE A CD1 1 ATOM 1655 C CD2 . PHE A 1 209 ? -50.349 41.952 29.136 1.00 45.50 ? 209 PHE A CD2 1 ATOM 1656 C CE1 . PHE A 1 209 ? -50.155 39.827 27.372 1.00 45.89 ? 209 PHE A CE1 1 ATOM 1657 C CE2 . PHE A 1 209 ? -49.498 40.894 29.423 1.00 46.26 ? 209 PHE A CE2 1 ATOM 1658 C CZ . PHE A 1 209 ? -49.399 39.829 28.543 1.00 48.46 ? 209 PHE A CZ 1 ATOM 1659 N N . ALA A 1 210 ? -53.532 41.268 29.949 1.00 42.92 ? 210 ALA A N 1 ATOM 1660 C CA . ALA A 1 210 ? -53.547 40.799 31.330 1.00 48.58 ? 210 ALA A CA 1 ATOM 1661 C C . ALA A 1 210 ? -53.111 39.349 31.383 1.00 47.80 ? 210 ALA A C 1 ATOM 1662 O O . ALA A 1 210 ? -53.698 38.494 30.721 1.00 47.05 ? 210 ALA A O 1 ATOM 1663 C CB . ALA A 1 210 ? -54.929 40.959 31.941 1.00 44.89 ? 210 ALA A CB 1 ATOM 1664 N N . LYS A 1 211 ? -52.074 39.067 32.159 1.00 52.28 ? 211 LYS A N 1 ATOM 1665 C CA . LYS A 1 211 ? -51.629 37.694 32.303 1.00 53.71 ? 211 LYS A CA 1 ATOM 1666 C C . LYS A 1 211 ? -50.996 37.439 33.662 1.00 60.25 ? 211 LYS A C 1 ATOM 1667 O O . LYS A 1 211 ? -50.497 38.357 34.315 1.00 60.94 ? 211 LYS A O 1 ATOM 1668 C CB . LYS A 1 211 ? -50.644 37.328 31.195 1.00 56.65 ? 211 LYS A CB 1 ATOM 1669 C CG . LYS A 1 211 ? -50.760 35.875 30.772 1.00 61.72 ? 211 LYS A CG 1 ATOM 1670 C CD . LYS A 1 211 ? -49.489 35.358 30.145 1.00 61.98 ? 211 LYS A CD 1 ATOM 1671 C CE . LYS A 1 211 ? -49.518 33.842 30.054 1.00 63.81 ? 211 LYS A CE 1 ATOM 1672 N NZ . LYS A 1 211 ? -50.786 33.338 29.454 1.00 59.26 ? 211 LYS A NZ 1 ATOM 1673 N N . SER A 1 212 ? -51.032 36.178 34.076 1.00 60.70 ? 212 SER A N 1 ATOM 1674 C CA . SER A 1 212 ? -50.450 35.748 35.339 1.00 55.93 ? 212 SER A CA 1 ATOM 1675 C C . SER A 1 212 ? -49.353 34.721 35.089 1.00 58.94 ? 212 SER A C 1 ATOM 1676 O O . SER A 1 212 ? -49.380 34.016 34.080 1.00 65.07 ? 212 SER A O 1 ATOM 1677 C CB . SER A 1 212 ? -51.531 35.163 36.251 1.00 55.57 ? 212 SER A CB 1 ATOM 1678 O OG . SER A 1 212 ? -52.623 36.054 36.375 1.00 63.21 ? 212 SER A OG 1 ATOM 1679 N N . PRO A 1 213 ? -48.372 34.639 35.998 1.00 66.20 ? 213 PRO A N 1 ATOM 1680 C CA . PRO A 1 213 ? -47.354 33.597 35.838 1.00 63.29 ? 213 PRO A CA 1 ATOM 1681 C C . PRO A 1 213 ? -47.939 32.189 35.971 1.00 63.57 ? 213 PRO A C 1 ATOM 1682 O O . PRO A 1 213 ? -48.827 31.951 36.793 1.00 64.62 ? 213 PRO A O 1 ATOM 1683 C CB . PRO A 1 213 ? -46.354 33.898 36.965 1.00 65.78 ? 213 PRO A CB 1 ATOM 1684 C CG . PRO A 1 213 ? -47.079 34.780 37.921 1.00 61.48 ? 213 PRO A CG 1 ATOM 1685 C CD . PRO A 1 213 ? -48.069 35.553 37.115 1.00 63.81 ? 213 PRO A CD 1 ATOM 1686 N N . GLU A 1 214 ? -47.440 31.281 35.138 1.00 64.07 ? 214 GLU A N 1 ATOM 1687 C CA . GLU A 1 214 ? -47.874 29.890 35.106 1.00 69.15 ? 214 GLU A CA 1 ATOM 1688 C C . GLU A 1 214 ? -46.696 28.994 35.461 1.00 70.60 ? 214 GLU A C 1 ATOM 1689 O O . GLU A 1 214 ? -45.942 28.558 34.588 1.00 73.15 ? 214 GLU A O 1 ATOM 1690 C CB . GLU A 1 214 ? -48.436 29.521 33.728 1.00 68.84 ? 214 GLU A CB 1 ATOM 1691 C CG . GLU A 1 214 ? -49.748 30.214 33.382 1.00 72.25 ? 214 GLU A CG 1 ATOM 1692 C CD . GLU A 1 214 ? -49.892 30.512 31.893 1.00 79.03 ? 214 GLU A CD 1 ATOM 1693 O OE1 . GLU A 1 214 ? -49.130 29.939 31.076 1.00 72.75 ? 214 GLU A OE1 1 ATOM 1694 O OE2 . GLU A 1 214 ? -50.773 31.327 31.542 1.00 78.28 ? 214 GLU A OE2 1 ATOM 1695 N N . ILE A 1 215 ? -46.549 28.729 36.753 1.00 65.20 ? 215 ILE A N 1 ATOM 1696 C CA . ILE A 1 215 ? -45.375 28.058 37.291 1.00 59.82 ? 215 ILE A CA 1 ATOM 1697 C C . ILE A 1 215 ? -45.376 26.554 37.024 1.00 59.44 ? 215 ILE A C 1 ATOM 1698 O O . ILE A 1 215 ? -46.307 25.843 37.416 1.00 63.88 ? 215 ILE A O 1 ATOM 1699 C CB . ILE A 1 215 ? -45.264 28.313 38.796 1.00 60.57 ? 215 ILE A CB 1 ATOM 1700 C CG1 . ILE A 1 215 ? -45.048 29.807 39.051 1.00 62.82 ? 215 ILE A CG1 1 ATOM 1701 C CG2 . ILE A 1 215 ? -44.143 27.493 39.389 1.00 64.78 ? 215 ILE A CG2 1 ATOM 1702 C CD1 . ILE A 1 215 ? -45.003 30.179 40.508 1.00 65.81 ? 215 ILE A CD1 1 ATOM 1703 N N . ALA A 1 216 ? -44.322 26.091 36.353 1.00 54.82 ? 216 ALA A N 1 ATOM 1704 C CA . ALA A 1 216 ? -44.170 24.692 35.957 1.00 58.86 ? 216 ALA A CA 1 ATOM 1705 C C . ALA A 1 216 ? -42.794 24.461 35.343 1.00 62.49 ? 216 ALA A C 1 ATOM 1706 O O . ALA A 1 216 ? -42.226 25.358 34.713 1.00 63.43 ? 216 ALA A O 1 ATOM 1707 C CB . ALA A 1 216 ? -45.260 24.284 34.970 1.00 61.66 ? 216 ALA A CB 1 ATOM 1708 N N . ALA A 1 217 ? -42.261 23.257 35.520 1.00 70.13 ? 217 ALA A N 1 ATOM 1709 C CA . ALA A 1 217 ? -40.959 22.916 34.959 1.00 74.02 ? 217 ALA A CA 1 ATOM 1710 C C . ALA A 1 217 ? -41.092 22.383 33.533 1.00 73.90 ? 217 ALA A C 1 ATOM 1711 O O . ALA A 1 217 ? -41.669 21.319 33.305 1.00 77.42 ? 217 ALA A O 1 ATOM 1712 C CB . ALA A 1 217 ? -40.247 21.898 35.843 1.00 71.74 ? 217 ALA A CB 1 ATOM 1713 N N . ARG A 1 218 ? -40.562 23.135 32.574 1.00 72.19 ? 218 ARG A N 1 ATOM 1714 C CA . ARG A 1 218 ? -40.521 22.695 31.184 1.00 72.42 ? 218 ARG A CA 1 ATOM 1715 C C . ARG A 1 218 ? -39.148 22.097 30.898 1.00 71.74 ? 218 ARG A C 1 ATOM 1716 O O . ARG A 1 218 ? -38.201 22.367 31.631 1.00 76.32 ? 218 ARG A O 1 ATOM 1717 C CB . ARG A 1 218 ? -40.811 23.861 30.227 1.00 69.64 ? 218 ARG A CB 1 ATOM 1718 C CG . ARG A 1 218 ? -42.224 24.412 30.288 1.00 65.18 ? 218 ARG A CG 1 ATOM 1719 C CD . ARG A 1 218 ? -42.325 25.524 31.306 1.00 63.30 ? 218 ARG A CD 1 ATOM 1720 N NE . ARG A 1 218 ? -43.630 26.171 31.293 1.00 68.86 ? 218 ARG A NE 1 ATOM 1721 C CZ . ARG A 1 218 ? -43.970 27.163 32.109 1.00 71.07 ? 218 ARG A CZ 1 ATOM 1722 N NH1 . ARG A 1 218 ? -43.094 27.611 33.004 1.00 69.79 ? 218 ARG A NH1 1 ATOM 1723 N NH2 . ARG A 1 218 ? -45.182 27.701 32.035 1.00 68.39 ? 218 ARG A NH2 1 ATOM 1724 N N . PRO A 1 219 ? -39.035 21.277 29.840 1.00 70.20 ? 219 PRO A N 1 ATOM 1725 C CA . PRO A 1 219 ? -37.728 20.742 29.434 1.00 70.44 ? 219 PRO A CA 1 ATOM 1726 C C . PRO A 1 219 ? -36.682 21.843 29.269 1.00 70.58 ? 219 PRO A C 1 ATOM 1727 O O . PRO A 1 219 ? -37.010 22.944 28.833 1.00 73.50 ? 219 PRO A O 1 ATOM 1728 C CB . PRO A 1 219 ? -38.028 20.068 28.092 1.00 70.97 ? 219 PRO A CB 1 ATOM 1729 C CG . PRO A 1 219 ? -39.464 19.669 28.199 1.00 69.22 ? 219 PRO A CG 1 ATOM 1730 C CD . PRO A 1 219 ? -40.130 20.754 29.000 1.00 68.28 ? 219 PRO A CD 1 ATOM 1731 N N . ALA A 1 220 ? -35.436 21.550 29.616 1.00 67.36 ? 220 ALA A N 1 ATOM 1732 C CA . ALA A 1 220 ? -34.394 22.569 29.608 1.00 67.80 ? 220 ALA A CA 1 ATOM 1733 C C . ALA A 1 220 ? -34.020 23.001 28.188 1.00 65.77 ? 220 ALA A C 1 ATOM 1734 O O . ALA A 1 220 ? -33.846 22.171 27.292 1.00 60.77 ? 220 ALA A O 1 ATOM 1735 C CB . ALA A 1 220 ? -33.163 22.070 30.355 1.00 62.62 ? 220 ALA A CB 1 ATOM 1736 N N . VAL A 1 221 ? -33.918 24.315 28.002 1.00 61.76 ? 221 VAL A N 1 ATOM 1737 C CA . VAL A 1 221 ? -33.476 24.917 26.749 1.00 55.91 ? 221 VAL A CA 1 ATOM 1738 C C . VAL A 1 221 ? -32.497 26.034 27.076 1.00 56.01 ? 221 VAL A C 1 ATOM 1739 O O . VAL A 1 221 ? -32.836 26.963 27.810 1.00 56.66 ? 221 VAL A O 1 ATOM 1740 C CB . VAL A 1 221 ? -34.659 25.477 25.916 1.00 59.13 ? 221 VAL A CB 1 ATOM 1741 C CG1 . VAL A 1 221 ? -34.151 26.301 24.731 1.00 50.72 ? 221 VAL A CG1 1 ATOM 1742 C CG2 . VAL A 1 221 ? -35.564 24.347 25.436 1.00 55.75 ? 221 VAL A CG2 1 ATOM 1743 N N . ASN A 1 222 ? -31.286 25.937 26.530 1.00 67.92 ? 222 ASN A N 1 ATOM 1744 C CA . ASN A 1 222 ? -30.190 26.844 26.874 1.00 72.53 ? 222 ASN A CA 1 ATOM 1745 C C . ASN A 1 222 ? -29.992 26.919 28.391 1.00 73.42 ? 222 ASN A C 1 ATOM 1746 O O . ASN A 1 222 ? -29.707 27.988 28.940 1.00 72.59 ? 222 ASN A O 1 ATOM 1747 C CB . ASN A 1 222 ? -30.430 28.249 26.299 1.00 70.60 ? 222 ASN A CB 1 ATOM 1748 C CG . ASN A 1 222 ? -30.451 28.267 24.772 1.00 72.32 ? 222 ASN A CG 1 ATOM 1749 O OD1 . ASN A 1 222 ? -29.994 27.328 24.118 1.00 72.22 ? 222 ASN A OD1 1 ATOM 1750 N ND2 . ASN A 1 222 ? -30.974 29.350 24.202 1.00 70.77 ? 222 ASN A ND2 1 ATOM 1751 N N . GLY A 1 223 ? -30.163 25.774 29.052 1.00 67.53 ? 223 GLY A N 1 ATOM 1752 C CA . GLY A 1 223 ? -29.968 25.654 30.488 1.00 65.32 ? 223 GLY A CA 1 ATOM 1753 C C . GLY A 1 223 ? -31.070 26.221 31.372 1.00 71.01 ? 223 GLY A C 1 ATOM 1754 O O . GLY A 1 223 ? -30.816 26.565 32.529 1.00 74.32 ? 223 GLY A O 1 ATOM 1755 N N . GLN A 1 224 ? -32.289 26.327 30.847 1.00 64.54 ? 224 GLN A N 1 ATOM 1756 C CA . GLN A 1 224 ? -33.396 26.885 31.629 1.00 63.62 ? 224 GLN A CA 1 ATOM 1757 C C . GLN A 1 224 ? -34.659 26.030 31.541 1.00 64.75 ? 224 GLN A C 1 ATOM 1758 O O . GLN A 1 224 ? -35.046 25.585 30.459 1.00 66.91 ? 224 GLN A O 1 ATOM 1759 C CB . GLN A 1 224 ? -33.719 28.314 31.176 1.00 64.36 ? 224 GLN A CB 1 ATOM 1760 C CG . GLN A 1 224 ? -32.514 29.219 30.985 1.00 62.75 ? 224 GLN A CG 1 ATOM 1761 C CD . GLN A 1 224 ? -31.764 29.471 32.277 1.00 68.87 ? 224 GLN A CD 1 ATOM 1762 O OE1 . GLN A 1 224 ? -32.343 29.432 33.365 1.00 66.14 ? 224 GLN A OE1 1 ATOM 1763 N NE2 . GLN A 1 224 ? -30.466 29.727 32.165 1.00 70.15 ? 224 GLN A NE2 1 ATOM 1764 N N . ARG A 1 225 ? -35.293 25.805 32.689 1.00 63.01 ? 225 ARG A N 1 ATOM 1765 C CA . ARG A 1 225 ? -36.563 25.089 32.755 1.00 62.56 ? 225 ARG A CA 1 ATOM 1766 C C . ARG A 1 225 ? -37.687 26.104 32.941 1.00 61.72 ? 225 ARG A C 1 ATOM 1767 O O . ARG A 1 225 ? -38.869 25.760 32.909 1.00 59.50 ? 225 ARG A O 1 ATOM 1768 C CB . ARG A 1 225 ? -36.567 24.062 33.898 1.00 66.40 ? 225 ARG A CB 1 ATOM 1769 C CG . ARG A 1 225 ? -35.377 23.110 33.899 1.00 68.78 ? 225 ARG A CG 1 ATOM 1770 C CD . ARG A 1 225 ? -35.772 21.699 33.478 1.00 71.58 ? 225 ARG A CD 1 ATOM 1771 N NE . ARG A 1 225 ? -36.435 20.952 34.546 1.00 88.70 ? 225 ARG A NE 1 ATOM 1772 C CZ . ARG A 1 225 ? -37.029 19.770 34.383 1.00 86.66 ? 225 ARG A CZ 1 ATOM 1773 N NH1 . ARG A 1 225 ? -37.056 19.192 33.185 1.00 74.45 ? 225 ARG A NH1 1 ATOM 1774 N NH2 . ARG A 1 225 ? -37.602 19.164 35.419 1.00 80.06 ? 225 ARG A NH2 1 ATOM 1775 N N . SER A 1 226 ? -37.301 27.358 33.150 1.00 55.28 ? 226 SER A N 1 ATOM 1776 C CA . SER A 1 226 ? -38.256 28.456 33.185 1.00 59.13 ? 226 SER A CA 1 ATOM 1777 C C . SER A 1 226 ? -38.536 28.947 31.762 1.00 54.81 ? 226 SER A C 1 ATOM 1778 O O . SER A 1 226 ? -37.899 28.500 30.805 1.00 51.35 ? 226 SER A O 1 ATOM 1779 C CB . SER A 1 226 ? -37.735 29.601 34.057 1.00 57.09 ? 226 SER A CB 1 ATOM 1780 O OG . SER A 1 226 ? -37.524 29.165 35.388 1.00 62.08 ? 226 SER A OG 1 ATOM 1781 N N . ARG A 1 227 ? -39.496 29.857 31.629 1.00 49.22 ? 227 ARG A N 1 ATOM 1782 C CA . ARG A 1 227 ? -39.886 30.389 30.330 1.00 46.94 ? 227 ARG A CA 1 ATOM 1783 C C . ARG A 1 227 ? -40.227 31.865 30.417 1.00 50.25 ? 227 ARG A C 1 ATOM 1784 O O . ARG A 1 227 ? -40.555 32.372 31.493 1.00 50.38 ? 227 ARG A O 1 ATOM 1785 C CB . ARG A 1 227 ? -41.091 29.629 29.763 1.00 45.21 ? 227 ARG A CB 1 ATOM 1786 C CG . ARG A 1 227 ? -40.817 28.194 29.371 1.00 46.66 ? 227 ARG A CG 1 ATOM 1787 C CD . ARG A 1 227 ? -39.829 28.113 28.227 1.00 45.17 ? 227 ARG A CD 1 ATOM 1788 N NE . ARG A 1 227 ? -39.774 26.773 27.652 1.00 49.13 ? 227 ARG A NE 1 ATOM 1789 C CZ . ARG A 1 227 ? -38.888 25.843 27.992 1.00 52.60 ? 227 ARG A CZ 1 ATOM 1790 N NH1 . ARG A 1 227 ? -37.968 26.100 28.919 1.00 51.78 ? 227 ARG A NH1 1 ATOM 1791 N NH2 . ARG A 1 227 ? -38.924 24.654 27.406 1.00 52.17 ? 227 ARG A NH2 1 ATOM 1792 N N . ILE A 1 228 ? -40.151 32.550 29.277 1.00 45.39 ? 228 ILE A N 1 ATOM 1793 C CA . ILE A 1 228 ? -40.704 33.894 29.154 1.00 44.34 ? 228 ILE A CA 1 ATOM 1794 C C . ILE A 1 228 ? -41.732 33.941 28.030 1.00 47.08 ? 228 ILE A C 1 ATOM 1795 O O . ILE A 1 228 ? -41.495 33.442 26.927 1.00 46.79 ? 228 ILE A O 1 ATOM 1796 C CB . ILE A 1 228 ? -39.617 34.958 28.884 1.00 45.06 ? 228 ILE A CB 1 ATOM 1797 C CG1 . ILE A 1 228 ? -38.715 35.134 30.106 1.00 47.94 ? 228 ILE A CG1 1 ATOM 1798 C CG2 . ILE A 1 228 ? -40.255 36.298 28.536 1.00 43.17 ? 228 ILE A CG2 1 ATOM 1799 C CD1 . ILE A 1 228 ? -37.736 36.285 29.977 1.00 42.07 ? 228 ILE A CD1 1 ATOM 1800 N N . ASP A 1 229 ? -42.888 34.522 28.320 1.00 57.21 ? 229 ASP A N 1 ATOM 1801 C CA . ASP A 1 229 ? -43.850 34.828 27.280 1.00 50.79 ? 229 ASP A CA 1 ATOM 1802 C C . ASP A 1 229 ? -43.584 36.231 26.751 1.00 53.42 ? 229 ASP A C 1 ATOM 1803 O O . ASP A 1 229 ? -43.924 37.221 27.401 1.00 54.06 ? 229 ASP A O 1 ATOM 1804 C CB . ASP A 1 229 ? -45.283 34.702 27.803 1.00 55.72 ? 229 ASP A CB 1 ATOM 1805 C CG . ASP A 1 229 ? -45.841 33.293 27.647 1.00 64.43 ? 229 ASP A CG 1 ATOM 1806 O OD1 . ASP A 1 229 ? -45.342 32.555 26.770 1.00 68.93 ? 229 ASP A OD1 1 ATOM 1807 O OD2 . ASP A 1 229 ? -46.779 32.925 28.394 1.00 66.30 ? 229 ASP A OD2 1 ATOM 1808 N N . TYR A 1 230 ? -42.956 36.307 25.577 1.00 44.34 ? 230 TYR A N 1 ATOM 1809 C CA . TYR A 1 230 ? -42.686 37.584 24.916 1.00 40.12 ? 230 TYR A CA 1 ATOM 1810 C C . TYR A 1 230 ? -43.909 38.089 24.163 1.00 37.90 ? 230 TYR A C 1 ATOM 1811 O O . TYR A 1 230 ? -44.627 37.311 23.534 1.00 41.49 ? 230 TYR A O 1 ATOM 1812 C CB . TYR A 1 230 ? -41.517 37.454 23.942 1.00 39.48 ? 230 TYR A CB 1 ATOM 1813 C CG . TYR A 1 230 ? -40.244 36.960 24.565 1.00 39.77 ? 230 TYR A CG 1 ATOM 1814 C CD1 . TYR A 1 230 ? -39.990 35.599 24.680 1.00 44.08 ? 230 TYR A CD1 1 ATOM 1815 C CD2 . TYR A 1 230 ? -39.287 37.851 25.033 1.00 43.02 ? 230 TYR A CD2 1 ATOM 1816 C CE1 . TYR A 1 230 ? -38.823 35.134 25.253 1.00 46.33 ? 230 TYR A CE1 1 ATOM 1817 C CE2 . TYR A 1 230 ? -38.115 37.396 25.613 1.00 47.06 ? 230 TYR A CE2 1 ATOM 1818 C CZ . TYR A 1 230 ? -37.891 36.035 25.718 1.00 47.20 ? 230 TYR A CZ 1 ATOM 1819 O OH . TYR A 1 230 ? -36.732 35.572 26.286 1.00 46.12 ? 230 TYR A OH 1 ATOM 1820 N N . TYR A 1 231 ? -44.136 39.394 24.219 1.00 34.91 ? 231 TYR A N 1 ATOM 1821 C CA . TYR A 1 231 ? -45.234 40.003 23.482 1.00 36.36 ? 231 TYR A CA 1 ATOM 1822 C C . TYR A 1 231 ? -44.768 41.245 22.745 1.00 32.73 ? 231 TYR A C 1 ATOM 1823 O O . TYR A 1 231 ? -43.716 41.802 23.037 1.00 33.99 ? 231 TYR A O 1 ATOM 1824 C CB . TYR A 1 231 ? -46.391 40.360 24.415 1.00 35.68 ? 231 TYR A CB 1 ATOM 1825 C CG . TYR A 1 231 ? -46.953 39.184 25.169 1.00 39.74 ? 231 TYR A CG 1 ATOM 1826 C CD1 . TYR A 1 231 ? -47.996 38.430 24.646 1.00 37.72 ? 231 TYR A CD1 1 ATOM 1827 C CD2 . TYR A 1 231 ? -46.438 38.823 26.409 1.00 43.48 ? 231 TYR A CD2 1 ATOM 1828 C CE1 . TYR A 1 231 ? -48.509 37.349 25.336 1.00 42.99 ? 231 TYR A CE1 1 ATOM 1829 C CE2 . TYR A 1 231 ? -46.946 37.748 27.111 1.00 43.15 ? 231 TYR A CE2 1 ATOM 1830 C CZ . TYR A 1 231 ? -47.979 37.015 26.575 1.00 49.94 ? 231 TYR A CZ 1 ATOM 1831 O OH . TYR A 1 231 ? -48.475 35.945 27.283 1.00 49.28 ? 231 TYR A OH 1 ATOM 1832 N N . TRP A 1 232 ? -45.568 41.674 21.783 1.00 34.22 ? 232 TRP A N 1 ATOM 1833 C CA . TRP A 1 232 ? -45.278 42.879 21.032 1.00 36.15 ? 232 TRP A CA 1 ATOM 1834 C C . TRP A 1 232 ? -46.602 43.531 20.719 1.00 38.01 ? 232 TRP A C 1 ATOM 1835 O O . TRP A 1 232 ? -47.635 42.864 20.695 1.00 35.23 ? 232 TRP A O 1 ATOM 1836 C CB . TRP A 1 232 ? -44.503 42.576 19.739 1.00 35.33 ? 232 TRP A CB 1 ATOM 1837 C CG . TRP A 1 232 ? -45.325 41.847 18.699 1.00 36.00 ? 232 TRP A CG 1 ATOM 1838 C CD1 . TRP A 1 232 ? -45.516 40.500 18.605 1.00 36.04 ? 232 TRP A CD1 1 ATOM 1839 C CD2 . TRP A 1 232 ? -46.065 42.432 17.615 1.00 34.78 ? 232 TRP A CD2 1 ATOM 1840 N NE1 . TRP A 1 232 ? -46.324 40.208 17.529 1.00 39.20 ? 232 TRP A NE1 1 ATOM 1841 C CE2 . TRP A 1 232 ? -46.676 41.378 16.905 1.00 35.07 ? 232 TRP A CE2 1 ATOM 1842 C CE3 . TRP A 1 232 ? -46.269 43.745 17.173 1.00 34.35 ? 232 TRP A CE3 1 ATOM 1843 C CZ2 . TRP A 1 232 ? -47.480 41.591 15.785 1.00 33.13 ? 232 TRP A CZ2 1 ATOM 1844 C CZ3 . TRP A 1 232 ? -47.068 43.958 16.064 1.00 32.18 ? 232 TRP A CZ3 1 ATOM 1845 C CH2 . TRP A 1 232 ? -47.664 42.886 15.381 1.00 33.18 ? 232 TRP A CH2 1 ATOM 1846 N N . SER A 1 233 ? -46.569 44.838 20.494 1.00 39.49 ? 233 SER A N 1 ATOM 1847 C CA . SER A 1 233 ? -47.739 45.559 20.028 1.00 34.43 ? 233 SER A CA 1 ATOM 1848 C C . SER A 1 233 ? -47.275 46.808 19.313 1.00 35.66 ? 233 SER A C 1 ATOM 1849 O O . SER A 1 233 ? -46.081 47.051 19.189 1.00 38.72 ? 233 SER A O 1 ATOM 1850 C CB . SER A 1 233 ? -48.670 45.911 21.187 1.00 36.89 ? 233 SER A CB 1 ATOM 1851 O OG . SER A 1 233 ? -49.760 46.692 20.737 1.00 39.26 ? 233 SER A OG 1 ATOM 1852 N N . VAL A 1 234 ? -48.221 47.603 18.840 1.00 40.28 ? 234 VAL A N 1 ATOM 1853 C CA . VAL A 1 234 ? -47.884 48.846 18.168 1.00 39.04 ? 234 VAL A CA 1 ATOM 1854 C C . VAL A 1 234 ? -48.694 49.985 18.773 1.00 40.87 ? 234 VAL A C 1 ATOM 1855 O O . VAL A 1 234 ? -49.923 49.925 18.820 1.00 39.04 ? 234 VAL A O 1 ATOM 1856 C CB . VAL A 1 234 ? -48.127 48.747 16.644 1.00 35.31 ? 234 VAL A CB 1 ATOM 1857 C CG1 . VAL A 1 234 ? -48.121 50.135 16.008 1.00 35.34 ? 234 VAL A CG1 1 ATOM 1858 C CG2 . VAL A 1 234 ? -47.063 47.865 16.010 1.00 30.79 ? 234 VAL A CG2 1 ATOM 1859 N N . LEU A 1 235 ? -47.992 50.996 19.279 1.00 40.14 ? 235 LEU A N 1 ATOM 1860 C CA . LEU A 1 235 ? -48.634 52.156 19.880 1.00 39.45 ? 235 LEU A CA 1 ATOM 1861 C C . LEU A 1 235 ? -48.836 53.175 18.778 1.00 41.57 ? 235 LEU A C 1 ATOM 1862 O O . LEU A 1 235 ? -47.878 53.630 18.164 1.00 45.05 ? 235 LEU A O 1 ATOM 1863 C CB . LEU A 1 235 ? -47.792 52.738 21.025 1.00 41.86 ? 235 LEU A CB 1 ATOM 1864 C CG . LEU A 1 235 ? -48.453 53.795 21.930 1.00 49.77 ? 235 LEU A CG 1 ATOM 1865 C CD1 . LEU A 1 235 ? -49.712 53.257 22.602 1.00 41.02 ? 235 LEU A CD1 1 ATOM 1866 C CD2 . LEU A 1 235 ? -47.485 54.328 22.983 1.00 44.22 ? 235 LEU A CD2 1 ATOM 1867 N N . ARG A 1 236 ? -50.088 53.515 18.509 1.00 49.59 ? 236 ARG A N 1 ATOM 1868 C CA . ARG A 1 236 ? -50.403 54.392 17.396 1.00 51.75 ? 236 ARG A CA 1 ATOM 1869 C C . ARG A 1 236 ? -50.230 55.850 17.798 1.00 54.75 ? 236 ARG A C 1 ATOM 1870 O O . ARG A 1 236 ? -50.257 56.169 18.983 1.00 55.48 ? 236 ARG A O 1 ATOM 1871 C CB . ARG A 1 236 ? -51.825 54.115 16.903 1.00 55.45 ? 236 ARG A CB 1 ATOM 1872 C CG . ARG A 1 236 ? -51.942 52.795 16.160 1.00 59.67 ? 236 ARG A CG 1 ATOM 1873 C CD . ARG A 1 236 ? -53.305 52.622 15.519 1.00 71.28 ? 236 ARG A CD 1 ATOM 1874 N NE . ARG A 1 236 ? -54.255 51.949 16.400 1.00 72.98 ? 236 ARG A NE 1 ATOM 1875 C CZ . ARG A 1 236 ? -55.466 51.557 16.017 1.00 80.23 ? 236 ARG A CZ 1 ATOM 1876 N NH1 . ARG A 1 236 ? -55.871 51.773 14.768 1.00 82.17 ? 236 ARG A NH1 1 ATOM 1877 N NH2 . ARG A 1 236 ? -56.271 50.948 16.877 1.00 71.73 ? 236 ARG A NH2 1 ATOM 1878 N N . PRO A 1 237 ? -50.025 56.737 16.813 1.00 49.78 ? 237 PRO A N 1 ATOM 1879 C CA . PRO A 1 237 ? -49.923 58.168 17.118 1.00 43.43 ? 237 PRO A CA 1 ATOM 1880 C C . PRO A 1 237 ? -51.156 58.681 17.865 1.00 49.20 ? 237 PRO A C 1 ATOM 1881 O O . PRO A 1 237 ? -52.286 58.461 17.414 1.00 45.47 ? 237 PRO A O 1 ATOM 1882 C CB . PRO A 1 237 ? -49.816 58.815 15.731 1.00 42.51 ? 237 PRO A CB 1 ATOM 1883 C CG . PRO A 1 237 ? -49.294 57.738 14.847 1.00 39.95 ? 237 PRO A CG 1 ATOM 1884 C CD . PRO A 1 237 ? -49.870 56.465 15.370 1.00 41.91 ? 237 PRO A CD 1 ATOM 1885 N N . GLY A 1 238 ? -50.937 59.352 18.993 1.00 53.03 ? 238 GLY A N 1 ATOM 1886 C CA . GLY A 1 238 ? -52.028 59.884 19.789 1.00 44.62 ? 238 GLY A CA 1 ATOM 1887 C C . GLY A 1 238 ? -52.425 58.955 20.920 1.00 55.17 ? 238 GLY A C 1 ATOM 1888 O O . GLY A 1 238 ? -53.086 59.368 21.876 1.00 58.07 ? 238 GLY A O 1 ATOM 1889 N N . GLU A 1 239 ? -52.030 57.690 20.808 1.00 54.26 ? 239 GLU A N 1 ATOM 1890 C CA . GLU A 1 239 ? -52.361 56.703 21.821 1.00 52.28 ? 239 GLU A CA 1 ATOM 1891 C C . GLU A 1 239 ? -51.377 56.784 22.972 1.00 55.54 ? 239 GLU A C 1 ATOM 1892 O O . GLU A 1 239 ? -50.266 57.291 22.815 1.00 52.74 ? 239 GLU A O 1 ATOM 1893 C CB . GLU A 1 239 ? -52.372 55.289 21.237 1.00 49.07 ? 239 GLU A CB 1 ATOM 1894 C CG . GLU A 1 239 ? -53.727 54.826 20.735 1.00 54.93 ? 239 GLU A CG 1 ATOM 1895 C CD . GLU A 1 239 ? -53.702 53.403 20.183 1.00 60.49 ? 239 GLU A CD 1 ATOM 1896 O OE1 . GLU A 1 239 ? -52.597 52.837 20.007 1.00 50.87 ? 239 GLU A OE1 1 ATOM 1897 O OE2 . GLU A 1 239 ? -54.795 52.848 19.930 1.00 63.40 ? 239 GLU A OE2 1 ATOM 1898 N N . THR A 1 240 ? -51.804 56.277 24.125 1.00 47.85 ? 240 THR A N 1 ATOM 1899 C CA . THR A 1 240 ? -50.991 56.245 25.333 1.00 49.99 ? 240 THR A CA 1 ATOM 1900 C C . THR A 1 240 ? -51.005 54.841 25.915 1.00 48.76 ? 240 THR A C 1 ATOM 1901 O O . THR A 1 240 ? -52.037 54.175 25.917 1.00 47.09 ? 240 THR A O 1 ATOM 1902 C CB . THR A 1 240 ? -51.498 57.254 26.399 1.00 54.50 ? 240 THR A CB 1 ATOM 1903 O OG1 . THR A 1 240 ? -51.469 58.586 25.867 1.00 56.28 ? 240 THR A OG1 1 ATOM 1904 C CG2 . THR A 1 240 ? -50.652 57.193 27.657 1.00 48.64 ? 240 THR A CG2 1 ATOM 1905 N N . LEU A 1 241 ? -49.854 54.391 26.400 1.00 48.75 ? 241 LEU A N 1 ATOM 1906 C CA . LEU A 1 241 ? -49.744 53.081 27.021 1.00 51.33 ? 241 LEU A CA 1 ATOM 1907 C C . LEU A 1 241 ? -49.567 53.166 28.543 1.00 51.19 ? 241 LEU A C 1 ATOM 1908 O O . LEU A 1 241 ? -48.682 53.869 29.029 1.00 50.01 ? 241 LEU A O 1 ATOM 1909 C CB . LEU A 1 241 ? -48.574 52.316 26.407 1.00 45.66 ? 241 LEU A CB 1 ATOM 1910 C CG . LEU A 1 241 ? -48.134 51.085 27.192 1.00 47.11 ? 241 LEU A CG 1 ATOM 1911 C CD1 . LEU A 1 241 ? -49.211 50.016 27.122 1.00 48.63 ? 241 LEU A CD1 1 ATOM 1912 C CD2 . LEU A 1 241 ? -46.804 50.566 26.672 1.00 43.92 ? 241 LEU A CD2 1 ATOM 1913 N N . ASN A 1 242 ? -50.406 52.445 29.285 1.00 53.03 ? 242 ASN A N 1 ATOM 1914 C CA . ASN A 1 242 ? -50.228 52.291 30.731 1.00 55.89 ? 242 ASN A CA 1 ATOM 1915 C C . ASN A 1 242 ? -49.768 50.888 31.106 1.00 56.13 ? 242 ASN A C 1 ATOM 1916 O O . ASN A 1 242 ? -50.358 49.900 30.674 1.00 60.02 ? 242 ASN A O 1 ATOM 1917 C CB . ASN A 1 242 ? -51.521 52.610 31.484 1.00 55.60 ? 242 ASN A CB 1 ATOM 1918 C CG . ASN A 1 242 ? -51.853 54.088 31.478 1.00 59.62 ? 242 ASN A CG 1 ATOM 1919 O OD1 . ASN A 1 242 ? -50.977 54.940 31.321 1.00 63.77 ? 242 ASN A OD1 1 ATOM 1920 N ND2 . ASN A 1 242 ? -53.125 54.401 31.657 1.00 64.00 ? 242 ASN A ND2 1 ATOM 1921 N N . VAL A 1 243 ? -48.709 50.806 31.907 1.00 50.70 ? 243 VAL A N 1 ATOM 1922 C CA . VAL A 1 243 ? -48.244 49.528 32.435 1.00 51.21 ? 243 VAL A CA 1 ATOM 1923 C C . VAL A 1 243 ? -48.446 49.453 33.952 1.00 56.81 ? 243 VAL A C 1 ATOM 1924 O O . VAL A 1 243 ? -48.093 50.379 34.683 1.00 56.09 ? 243 VAL A O 1 ATOM 1925 C CB . VAL A 1 243 ? -46.758 49.287 32.121 1.00 54.36 ? 243 VAL A CB 1 ATOM 1926 C CG1 . VAL A 1 243 ? -46.379 47.849 32.446 1.00 52.07 ? 243 VAL A CG1 1 ATOM 1927 C CG2 . VAL A 1 243 ? -46.457 49.611 30.667 1.00 54.47 ? 243 VAL A CG2 1 ATOM 1928 N N . GLU A 1 244 ? -49.022 48.348 34.412 1.00 59.97 ? 244 GLU A N 1 ATOM 1929 C CA . GLU A 1 244 ? -49.221 48.105 35.835 1.00 60.91 ? 244 GLU A CA 1 ATOM 1930 C C . GLU A 1 244 ? -48.861 46.658 36.140 1.00 62.62 ? 244 GLU A C 1 ATOM 1931 O O . GLU A 1 244 ? -49.339 45.745 35.465 1.00 59.05 ? 244 GLU A O 1 ATOM 1932 C CB . GLU A 1 244 ? -50.671 48.403 36.246 1.00 64.93 ? 244 GLU A CB 1 ATOM 1933 C CG . GLU A 1 244 ? -50.949 48.301 37.748 1.00 69.32 ? 244 GLU A CG 1 ATOM 1934 C CD . GLU A 1 244 ? -52.431 48.442 38.092 1.00 77.31 ? 244 GLU A CD 1 ATOM 1935 O OE1 . GLU A 1 244 ? -52.910 47.709 38.992 1.00 70.60 ? 244 GLU A OE1 1 ATOM 1936 O OE2 . GLU A 1 244 ? -53.117 49.284 37.464 1.00 73.81 ? 244 GLU A OE2 1 ATOM 1937 N N . SER A 1 245 ? -48.013 46.448 37.145 1.00 62.36 ? 245 SER A N 1 ATOM 1938 C CA . SER A 1 245 ? -47.620 45.095 37.536 1.00 61.95 ? 245 SER A CA 1 ATOM 1939 C C . SER A 1 245 ? -47.102 45.029 38.969 1.00 64.99 ? 245 SER A C 1 ATOM 1940 O O . SER A 1 245 ? -46.585 46.012 39.503 1.00 64.07 ? 245 SER A O 1 ATOM 1941 C CB . SER A 1 245 ? -46.554 44.550 36.583 1.00 58.59 ? 245 SER A CB 1 ATOM 1942 O OG . SER A 1 245 ? -45.954 43.374 37.098 1.00 55.20 ? 245 SER A OG 1 ATOM 1943 N N . ASN A 1 246 ? -47.238 43.856 39.579 1.00 72.71 ? 246 ASN A N 1 ATOM 1944 C CA . ASN A 1 246 ? -46.707 43.612 40.912 1.00 74.79 ? 246 ASN A CA 1 ATOM 1945 C C . ASN A 1 246 ? -45.764 42.416 40.931 1.00 76.83 ? 246 ASN A C 1 ATOM 1946 O O . ASN A 1 246 ? -45.541 41.820 41.982 1.00 83.56 ? 246 ASN A O 1 ATOM 1947 C CB . ASN A 1 246 ? -47.844 43.395 41.914 1.00 74.16 ? 246 ASN A CB 1 ATOM 1948 C CG . ASN A 1 246 ? -48.590 42.094 41.681 1.00 76.94 ? 246 ASN A CG 1 ATOM 1949 O OD1 . ASN A 1 246 ? -48.425 41.439 40.650 1.00 75.82 ? 246 ASN A OD1 1 ATOM 1950 N ND2 . ASN A 1 246 ? -49.429 41.720 42.637 1.00 77.28 ? 246 ASN A ND2 1 ATOM 1951 N N . GLY A 1 247 ? -45.212 42.071 39.770 1.00 70.82 ? 247 GLY A N 1 ATOM 1952 C CA . GLY A 1 247 ? -44.249 40.986 39.670 1.00 68.23 ? 247 GLY A CA 1 ATOM 1953 C C . GLY A 1 247 ? -44.268 40.261 38.335 1.00 67.02 ? 247 GLY A C 1 ATOM 1954 O O . GLY A 1 247 ? -45.244 40.350 37.588 1.00 66.62 ? 247 GLY A O 1 ATOM 1955 N N . ASN A 1 248 ? -43.177 39.551 38.045 1.00 65.94 ? 248 ASN A N 1 ATOM 1956 C CA . ASN A 1 248 ? -43.001 38.757 36.820 1.00 68.39 ? 248 ASN A CA 1 ATOM 1957 C C . ASN A 1 248 ? -42.953 39.564 35.514 1.00 63.90 ? 248 ASN A C 1 ATOM 1958 O O . ASN A 1 248 ? -43.038 38.993 34.429 1.00 64.30 ? 248 ASN A O 1 ATOM 1959 C CB . ASN A 1 248 ? -44.106 37.701 36.709 1.00 67.50 ? 248 ASN A CB 1 ATOM 1960 C CG . ASN A 1 248 ? -44.122 36.752 37.886 1.00 68.16 ? 248 ASN A CG 1 ATOM 1961 O OD1 . ASN A 1 248 ? -44.793 37.003 38.880 1.00 71.29 ? 248 ASN A OD1 1 ATOM 1962 N ND2 . ASN A 1 248 ? -43.387 35.653 37.777 1.00 63.88 ? 248 ASN A ND2 1 ATOM 1963 N N . LEU A 1 249 ? -42.793 40.878 35.614 1.00 48.91 ? 249 LEU A N 1 ATOM 1964 C CA . LEU A 1 249 ? -42.761 41.724 34.433 1.00 43.99 ? 249 LEU A CA 1 ATOM 1965 C C . LEU A 1 249 ? -41.376 41.850 33.800 1.00 48.44 ? 249 LEU A C 1 ATOM 1966 O O . LEU A 1 249 ? -40.435 42.336 34.425 1.00 54.09 ? 249 LEU A O 1 ATOM 1967 C CB . LEU A 1 249 ? -43.284 43.121 34.772 1.00 51.20 ? 249 LEU A CB 1 ATOM 1968 C CG . LEU A 1 249 ? -43.110 44.180 33.677 1.00 52.64 ? 249 LEU A CG 1 ATOM 1969 C CD1 . LEU A 1 249 ? -43.856 43.770 32.407 1.00 44.32 ? 249 LEU A CD1 1 ATOM 1970 C CD2 . LEU A 1 249 ? -43.576 45.549 34.160 1.00 48.99 ? 249 LEU A CD2 1 ATOM 1971 N N . ILE A 1 250 ? -41.259 41.410 32.551 1.00 54.13 ? 250 ILE A N 1 ATOM 1972 C CA . ILE A 1 250 ? -40.125 41.793 31.716 1.00 47.39 ? 250 ILE A CA 1 ATOM 1973 C C . ILE A 1 250 ? -40.538 43.089 31.028 1.00 47.33 ? 250 ILE A C 1 ATOM 1974 O O . ILE A 1 250 ? -41.374 43.086 30.123 1.00 45.38 ? 250 ILE A O 1 ATOM 1975 C CB . ILE A 1 250 ? -39.756 40.715 30.681 1.00 47.17 ? 250 ILE A CB 1 ATOM 1976 C CG1 . ILE A 1 250 ? -39.679 39.338 31.340 1.00 47.00 ? 250 ILE A CG1 1 ATOM 1977 C CG2 . ILE A 1 250 ? -38.425 41.047 30.012 1.00 46.09 ? 250 ILE A CG2 1 ATOM 1978 C CD1 . ILE A 1 250 ? -38.666 39.246 32.451 1.00 43.98 ? 250 ILE A CD1 1 ATOM 1979 N N . ALA A 1 251 ? -39.979 44.202 31.483 1.00 49.41 ? 251 ALA A N 1 ATOM 1980 C CA . ALA A 1 251 ? -40.504 45.508 31.113 1.00 50.38 ? 251 ALA A CA 1 ATOM 1981 C C . ALA A 1 251 ? -39.983 45.992 29.760 1.00 48.42 ? 251 ALA A C 1 ATOM 1982 O O . ALA A 1 251 ? -38.884 45.631 29.344 1.00 48.41 ? 251 ALA A O 1 ATOM 1983 C CB . ALA A 1 251 ? -40.175 46.528 32.208 1.00 47.74 ? 251 ALA A CB 1 ATOM 1984 N N . PRO A 1 252 ? -40.787 46.805 29.062 1.00 45.98 ? 252 PRO A N 1 ATOM 1985 C CA . PRO A 1 252 ? -40.292 47.490 27.865 1.00 46.80 ? 252 PRO A CA 1 ATOM 1986 C C . PRO A 1 252 ? -39.323 48.601 28.246 1.00 51.62 ? 252 PRO A C 1 ATOM 1987 O O . PRO A 1 252 ? -39.689 49.490 29.015 1.00 55.37 ? 252 PRO A O 1 ATOM 1988 C CB . PRO A 1 252 ? -41.564 48.056 27.225 1.00 43.12 ? 252 PRO A CB 1 ATOM 1989 C CG . PRO A 1 252 ? -42.536 48.179 28.362 1.00 47.91 ? 252 PRO A CG 1 ATOM 1990 C CD . PRO A 1 252 ? -42.225 47.043 29.290 1.00 43.81 ? 252 PRO A CD 1 ATOM 1991 N N . TRP A 1 253 ? -38.102 48.536 27.724 1.00 46.93 ? 253 TRP A N 1 ATOM 1992 C CA . TRP A 1 253 ? -37.073 49.528 28.010 1.00 42.38 ? 253 TRP A CA 1 ATOM 1993 C C . TRP A 1 253 ? -36.926 50.446 26.800 1.00 45.21 ? 253 TRP A C 1 ATOM 1994 O O . TRP A 1 253 ? -37.320 51.613 26.848 1.00 44.33 ? 253 TRP A O 1 ATOM 1995 C CB . TRP A 1 253 ? -35.749 48.832 28.360 1.00 46.73 ? 253 TRP A CB 1 ATOM 1996 C CG . TRP A 1 253 ? -34.612 49.742 28.794 1.00 49.83 ? 253 TRP A CG 1 ATOM 1997 C CD1 . TRP A 1 253 ? -34.680 51.078 29.075 1.00 49.61 ? 253 TRP A CD1 1 ATOM 1998 C CD2 . TRP A 1 253 ? -33.242 49.362 28.996 1.00 46.75 ? 253 TRP A CD2 1 ATOM 1999 N NE1 . TRP A 1 253 ? -33.440 51.551 29.436 1.00 52.48 ? 253 TRP A NE1 1 ATOM 2000 C CE2 . TRP A 1 253 ? -32.540 50.519 29.397 1.00 51.06 ? 253 TRP A CE2 1 ATOM 2001 C CE3 . TRP A 1 253 ? -32.541 48.156 28.877 1.00 47.44 ? 253 TRP A CE3 1 ATOM 2002 C CZ2 . TRP A 1 253 ? -31.170 50.508 29.670 1.00 48.34 ? 253 TRP A CZ2 1 ATOM 2003 C CZ3 . TRP A 1 253 ? -31.178 48.147 29.152 1.00 49.44 ? 253 TRP A CZ3 1 ATOM 2004 C CH2 . TRP A 1 253 ? -30.509 49.316 29.542 1.00 47.09 ? 253 TRP A CH2 1 ATOM 2005 N N . TYR A 1 254 ? -36.374 49.903 25.715 1.00 47.18 ? 254 TYR A N 1 ATOM 2006 C CA . TYR A 1 254 ? -36.275 50.615 24.436 1.00 49.34 ? 254 TYR A CA 1 ATOM 2007 C C . TYR A 1 254 ? -37.344 50.136 23.433 1.00 45.44 ? 254 TYR A C 1 ATOM 2008 O O . TYR A 1 254 ? -37.790 48.989 23.479 1.00 41.18 ? 254 TYR A O 1 ATOM 2009 C CB . TYR A 1 254 ? -34.874 50.436 23.831 1.00 50.21 ? 254 TYR A CB 1 ATOM 2010 C CG . TYR A 1 254 ? -33.790 51.286 24.466 1.00 54.62 ? 254 TYR A CG 1 ATOM 2011 C CD1 . TYR A 1 254 ? -33.141 50.875 25.630 1.00 53.97 ? 254 TYR A CD1 1 ATOM 2012 C CD2 . TYR A 1 254 ? -33.401 52.495 23.891 1.00 55.63 ? 254 TYR A CD2 1 ATOM 2013 C CE1 . TYR A 1 254 ? -32.148 51.648 26.211 1.00 50.87 ? 254 TYR A CE1 1 ATOM 2014 C CE2 . TYR A 1 254 ? -32.409 53.274 24.462 1.00 57.83 ? 254 TYR A CE2 1 ATOM 2015 C CZ . TYR A 1 254 ? -31.786 52.847 25.625 1.00 59.87 ? 254 TYR A CZ 1 ATOM 2016 O OH . TYR A 1 254 ? -30.797 53.621 26.196 1.00 57.00 ? 254 TYR A OH 1 ATOM 2017 N N . ALA A 1 255 ? -37.753 51.017 22.526 1.00 44.52 ? 255 ALA A N 1 ATOM 2018 C CA . ALA A 1 255 ? -38.729 50.653 21.504 1.00 37.70 ? 255 ALA A CA 1 ATOM 2019 C C . ALA A 1 255 ? -38.334 51.234 20.142 1.00 39.48 ? 255 ALA A C 1 ATOM 2020 O O . ALA A 1 255 ? -37.241 51.771 19.985 1.00 40.25 ? 255 ALA A O 1 ATOM 2021 C CB . ALA A 1 255 ? -40.116 51.114 21.907 1.00 35.98 ? 255 ALA A CB 1 ATOM 2022 N N . TYR A 1 256 ? -39.217 51.117 19.156 1.00 38.62 ? 256 TYR A N 1 ATOM 2023 C CA . TYR A 1 256 ? -38.890 51.562 17.804 1.00 36.75 ? 256 TYR A CA 1 ATOM 2024 C C . TYR A 1 256 ? -39.962 52.442 17.179 1.00 34.05 ? 256 TYR A C 1 ATOM 2025 O O . TYR A 1 256 ? -41.117 52.044 17.059 1.00 37.57 ? 256 TYR A O 1 ATOM 2026 C CB . TYR A 1 256 ? -38.650 50.362 16.893 1.00 34.27 ? 256 TYR A CB 1 ATOM 2027 C CG . TYR A 1 256 ? -37.461 49.519 17.260 1.00 30.76 ? 256 TYR A CG 1 ATOM 2028 C CD1 . TYR A 1 256 ? -36.178 49.855 16.830 1.00 34.02 ? 256 TYR A CD1 1 ATOM 2029 C CD2 . TYR A 1 256 ? -37.619 48.374 18.023 1.00 32.61 ? 256 TYR A CD2 1 ATOM 2030 C CE1 . TYR A 1 256 ? -35.075 49.069 17.173 1.00 32.97 ? 256 TYR A CE1 1 ATOM 2031 C CE2 . TYR A 1 256 ? -36.531 47.584 18.366 1.00 37.82 ? 256 TYR A CE2 1 ATOM 2032 C CZ . TYR A 1 256 ? -35.266 47.932 17.939 1.00 37.46 ? 256 TYR A CZ 1 ATOM 2033 O OH . TYR A 1 256 ? -34.198 47.139 18.296 1.00 44.58 ? 256 TYR A OH 1 ATOM 2034 N N . LYS A 1 257 ? -39.577 53.642 16.775 1.00 39.15 ? 257 LYS A N 1 ATOM 2035 C CA . LYS A 1 257 ? -40.450 54.449 15.936 1.00 43.98 ? 257 LYS A CA 1 ATOM 2036 C C . LYS A 1 257 ? -40.401 53.858 14.535 1.00 38.90 ? 257 LYS A C 1 ATOM 2037 O O . LYS A 1 257 ? -39.332 53.649 13.971 1.00 39.52 ? 257 LYS A O 1 ATOM 2038 C CB . LYS A 1 257 ? -40.037 55.920 15.959 1.00 46.88 ? 257 LYS A CB 1 ATOM 2039 C CG . LYS A 1 257 ? -40.463 56.608 17.253 1.00 48.79 ? 257 LYS A CG 1 ATOM 2040 C CD . LYS A 1 257 ? -39.935 58.020 17.372 1.00 54.99 ? 257 LYS A CD 1 ATOM 2041 C CE . LYS A 1 257 ? -40.326 58.624 18.720 1.00 60.77 ? 257 LYS A CE 1 ATOM 2042 N NZ . LYS A 1 257 ? -39.664 59.940 18.961 1.00 68.13 ? 257 LYS A NZ 1 ATOM 2043 N N . PHE A 1 258 ? -41.572 53.550 13.999 1.00 41.40 ? 258 PHE A N 1 ATOM 2044 C CA . PHE A 1 258 ? -41.670 52.694 12.828 1.00 43.44 ? 258 PHE A CA 1 ATOM 2045 C C . PHE A 1 258 ? -42.184 53.464 11.614 1.00 39.04 ? 258 PHE A C 1 ATOM 2046 O O . PHE A 1 258 ? -43.217 54.121 11.688 1.00 46.96 ? 258 PHE A O 1 ATOM 2047 C CB . PHE A 1 258 ? -42.581 51.505 13.157 1.00 40.75 ? 258 PHE A CB 1 ATOM 2048 C CG . PHE A 1 258 ? -42.556 50.412 12.138 1.00 40.87 ? 258 PHE A CG 1 ATOM 2049 C CD1 . PHE A 1 258 ? -43.438 50.428 11.064 1.00 40.26 ? 258 PHE A CD1 1 ATOM 2050 C CD2 . PHE A 1 258 ? -41.671 49.353 12.262 1.00 39.81 ? 258 PHE A CD2 1 ATOM 2051 C CE1 . PHE A 1 258 ? -43.420 49.417 10.120 1.00 42.57 ? 258 PHE A CE1 1 ATOM 2052 C CE2 . PHE A 1 258 ? -41.647 48.333 11.319 1.00 39.30 ? 258 PHE A CE2 1 ATOM 2053 C CZ . PHE A 1 258 ? -42.527 48.364 10.250 1.00 38.93 ? 258 PHE A CZ 1 ATOM 2054 N N . VAL A 1 259 ? -41.449 53.399 10.509 1.00 32.69 ? 259 VAL A N 1 ATOM 2055 C CA . VAL A 1 259 ? -41.895 54.015 9.257 1.00 39.44 ? 259 VAL A CA 1 ATOM 2056 C C . VAL A 1 259 ? -42.377 52.945 8.280 1.00 41.08 ? 259 VAL A C 1 ATOM 2057 O O . VAL A 1 259 ? -41.587 52.128 7.796 1.00 36.15 ? 259 VAL A O 1 ATOM 2058 C CB . VAL A 1 259 ? -40.780 54.844 8.571 1.00 38.64 ? 259 VAL A CB 1 ATOM 2059 C CG1 . VAL A 1 259 ? -41.347 55.619 7.386 1.00 37.85 ? 259 VAL A CG1 1 ATOM 2060 C CG2 . VAL A 1 259 ? -40.140 55.789 9.544 1.00 40.40 ? 259 VAL A CG2 1 ATOM 2061 N N . SER A 1 260 ? -43.677 52.952 8.002 1.00 55.29 ? 260 SER A N 1 ATOM 2062 C CA . SER A 1 260 ? -44.272 51.991 7.082 1.00 57.23 ? 260 SER A CA 1 ATOM 2063 C C . SER A 1 260 ? -43.920 52.313 5.633 1.00 64.24 ? 260 SER A C 1 ATOM 2064 O O . SER A 1 260 ? -43.801 53.481 5.257 1.00 66.07 ? 260 SER A O 1 ATOM 2065 C CB . SER A 1 260 ? -45.786 51.958 7.253 1.00 55.84 ? 260 SER A CB 1 ATOM 2066 O OG . SER A 1 260 ? -46.366 51.063 6.326 1.00 64.66 ? 260 SER A OG 1 ATOM 2067 N N . THR A 1 261 ? -43.762 51.273 4.820 1.00 64.25 ? 261 THR A N 1 ATOM 2068 C CA . THR A 1 261 ? -43.336 51.457 3.437 1.00 72.68 ? 261 THR A CA 1 ATOM 2069 C C . THR A 1 261 ? -44.513 51.730 2.493 1.00 82.56 ? 261 THR A C 1 ATOM 2070 O O . THR A 1 261 ? -45.633 51.251 2.696 1.00 78.55 ? 261 THR A O 1 ATOM 2071 C CB . THR A 1 261 ? -42.530 50.230 2.921 1.00 67.84 ? 261 THR A CB 1 ATOM 2072 O OG1 . THR A 1 261 ? -41.704 50.623 1.817 1.00 77.95 ? 261 THR A OG1 1 ATOM 2073 C CG2 . THR A 1 261 ? -43.452 49.082 2.490 1.00 72.82 ? 261 THR A CG2 1 ATOM 2074 N N . ASN A 1 262 ? -44.238 52.536 1.473 1.00 110.64 ? 262 ASN A N 1 ATOM 2075 C CA . ASN A 1 262 ? -45.191 52.809 0.408 1.00 121.02 ? 262 ASN A CA 1 ATOM 2076 C C . ASN A 1 262 ? -45.141 51.682 -0.617 1.00 120.01 ? 262 ASN A C 1 ATOM 2077 O O . ASN A 1 262 ? -46.137 51.367 -1.268 1.00 119.02 ? 262 ASN A O 1 ATOM 2078 C CB . ASN A 1 262 ? -44.879 54.155 -0.252 1.00 125.90 ? 262 ASN A CB 1 ATOM 2079 C CG . ASN A 1 262 ? -46.108 54.821 -0.834 1.00 136.29 ? 262 ASN A CG 1 ATOM 2080 O OD1 . ASN A 1 262 ? -46.571 54.459 -1.914 1.00 143.09 ? 262 ASN A OD1 1 ATOM 2081 N ND2 . ASN A 1 262 ? -46.638 55.808 -0.121 1.00 141.86 ? 262 ASN A ND2 1 ATOM 2082 N N . LYS A 1 263 ? -43.965 51.072 -0.739 1.00 103.05 ? 263 LYS A N 1 ATOM 2083 C CA . LYS A 1 263 ? -43.742 49.973 -1.670 1.00 95.46 ? 263 LYS A CA 1 ATOM 2084 C C . LYS A 1 263 ? -44.299 48.653 -1.135 1.00 90.97 ? 263 LYS A C 1 ATOM 2085 O O . LYS A 1 263 ? -45.360 48.614 -0.503 1.00 87.56 ? 263 LYS A O 1 ATOM 2086 C CB . LYS A 1 263 ? -42.247 49.821 -1.967 1.00 90.28 ? 263 LYS A CB 1 ATOM 2087 C CG . LYS A 1 263 ? -41.473 51.132 -2.008 1.00 95.85 ? 263 LYS A CG 1 ATOM 2088 C CD . LYS A 1 263 ? -41.778 51.927 -3.268 1.00 103.75 ? 263 LYS A CD 1 ATOM 2089 C CE . LYS A 1 263 ? -40.933 53.193 -3.344 1.00 102.62 ? 263 LYS A CE 1 ATOM 2090 N NZ . LYS A 1 263 ? -41.157 53.942 -4.614 1.00 102.02 ? 263 LYS A NZ 1 ATOM 2091 N N . LYS A 1 264 ? -43.557 47.577 -1.376 1.00 98.42 ? 264 LYS A N 1 ATOM 2092 C CA . LYS A 1 264 ? -44.041 46.227 -1.111 1.00 91.78 ? 264 LYS A CA 1 ATOM 2093 C C . LYS A 1 264 ? -43.492 45.616 0.177 1.00 86.19 ? 264 LYS A C 1 ATOM 2094 O O . LYS A 1 264 ? -44.256 45.233 1.063 1.00 92.08 ? 264 LYS A O 1 ATOM 2095 C CB . LYS A 1 264 ? -43.695 45.328 -2.293 1.00 82.06 ? 264 LYS A CB 1 ATOM 2096 C CG . LYS A 1 264 ? -44.120 43.887 -2.134 1.00 77.51 ? 264 LYS A CG 1 ATOM 2097 C CD . LYS A 1 264 ? -43.642 43.117 -3.340 1.00 73.46 ? 264 LYS A CD 1 ATOM 2098 C CE . LYS A 1 264 ? -43.874 41.636 -3.205 1.00 70.01 ? 264 LYS A CE 1 ATOM 2099 N NZ . LYS A 1 264 ? -43.474 41.011 -4.492 1.00 64.01 ? 264 LYS A NZ 1 ATOM 2100 N N . GLY A 1 265 ? -42.170 45.513 0.272 1.00 65.31 ? 265 GLY A N 1 ATOM 2101 C CA . GLY A 1 265 ? -41.538 44.920 1.438 1.00 60.27 ? 265 GLY A CA 1 ATOM 2102 C C . GLY A 1 265 ? -41.219 43.443 1.279 1.00 53.83 ? 265 GLY A C 1 ATOM 2103 O O . GLY A 1 265 ? -42.077 42.644 0.921 1.00 62.15 ? 265 GLY A O 1 ATOM 2104 N N . ALA A 1 266 ? -39.973 43.074 1.548 1.00 43.66 ? 266 ALA A N 1 ATOM 2105 C CA . ALA A 1 266 ? -39.563 41.679 1.431 1.00 38.68 ? 266 ALA A CA 1 ATOM 2106 C C . ALA A 1 266 ? -38.661 41.250 2.582 1.00 38.30 ? 266 ALA A C 1 ATOM 2107 O O . ALA A 1 266 ? -37.893 42.049 3.108 1.00 34.26 ? 266 ALA A O 1 ATOM 2108 C CB . ALA A 1 266 ? -38.861 41.449 0.117 1.00 34.70 ? 266 ALA A CB 1 ATOM 2109 N N . VAL A 1 267 ? -38.776 39.983 2.968 1.00 42.63 ? 267 VAL A N 1 ATOM 2110 C CA . VAL A 1 267 ? -37.866 39.354 3.917 1.00 33.85 ? 267 VAL A CA 1 ATOM 2111 C C . VAL A 1 267 ? -37.319 38.096 3.274 1.00 38.45 ? 267 VAL A C 1 ATOM 2112 O O . VAL A 1 267 ? -38.001 37.071 3.215 1.00 45.37 ? 267 VAL A O 1 ATOM 2113 C CB . VAL A 1 267 ? -38.551 38.990 5.247 1.00 35.28 ? 267 VAL A CB 1 ATOM 2114 C CG1 . VAL A 1 267 ? -37.607 38.186 6.123 1.00 32.86 ? 267 VAL A CG1 1 ATOM 2115 C CG2 . VAL A 1 267 ? -39.011 40.240 5.971 1.00 35.02 ? 267 VAL A CG2 1 ATOM 2116 N N . PHE A 1 268 ? -36.096 38.181 2.767 1.00 37.07 ? 268 PHE A N 1 ATOM 2117 C CA . PHE A 1 268 ? -35.503 37.074 2.036 1.00 35.60 ? 268 PHE A CA 1 ATOM 2118 C C . PHE A 1 268 ? -34.689 36.169 2.953 1.00 40.57 ? 268 PHE A C 1 ATOM 2119 O O . PHE A 1 268 ? -33.743 36.616 3.589 1.00 43.42 ? 268 PHE A O 1 ATOM 2120 C CB . PHE A 1 268 ? -34.616 37.598 0.906 1.00 33.88 ? 268 PHE A CB 1 ATOM 2121 C CG . PHE A 1 268 ? -35.369 38.288 -0.204 1.00 36.35 ? 268 PHE A CG 1 ATOM 2122 C CD1 . PHE A 1 268 ? -36.616 37.843 -0.605 1.00 36.39 ? 268 PHE A CD1 1 ATOM 2123 C CD2 . PHE A 1 268 ? -34.812 39.373 -0.863 1.00 36.96 ? 268 PHE A CD2 1 ATOM 2124 C CE1 . PHE A 1 268 ? -37.299 38.474 -1.638 1.00 34.07 ? 268 PHE A CE1 1 ATOM 2125 C CE2 . PHE A 1 268 ? -35.490 40.004 -1.894 1.00 35.44 ? 268 PHE A CE2 1 ATOM 2126 C CZ . PHE A 1 268 ? -36.736 39.553 -2.279 1.00 32.29 ? 268 PHE A CZ 1 ATOM 2127 N N . LYS A 1 269 ? -35.066 34.898 3.028 1.00 48.38 ? 269 LYS A N 1 ATOM 2128 C CA . LYS A 1 269 ? -34.253 33.906 3.721 1.00 43.85 ? 269 LYS A CA 1 ATOM 2129 C C . LYS A 1 269 ? -33.297 33.295 2.706 1.00 46.04 ? 269 LYS A C 1 ATOM 2130 O O . LYS A 1 269 ? -33.691 32.474 1.881 1.00 44.78 ? 269 LYS A O 1 ATOM 2131 C CB . LYS A 1 269 ? -35.124 32.832 4.380 1.00 42.74 ? 269 LYS A CB 1 ATOM 2132 C CG . LYS A 1 269 ? -35.847 33.317 5.625 1.00 54.45 ? 269 LYS A CG 1 ATOM 2133 C CD . LYS A 1 269 ? -36.851 32.300 6.151 1.00 57.14 ? 269 LYS A CD 1 ATOM 2134 C CE . LYS A 1 269 ? -38.181 32.404 5.411 1.00 67.27 ? 269 LYS A CE 1 ATOM 2135 N NZ . LYS A 1 269 ? -39.238 31.552 6.035 1.00 58.79 ? 269 LYS A NZ 1 ATOM 2136 N N . SER A 1 270 ? -32.041 33.715 2.767 1.00 44.66 ? 270 SER A N 1 ATOM 2137 C CA . SER A 1 270 ? -31.059 33.346 1.764 1.00 40.01 ? 270 SER A CA 1 ATOM 2138 C C . SER A 1 270 ? -29.633 33.465 2.294 1.00 44.15 ? 270 SER A C 1 ATOM 2139 O O . SER A 1 270 ? -29.372 34.219 3.237 1.00 45.29 ? 270 SER A O 1 ATOM 2140 C CB . SER A 1 270 ? -31.232 34.231 0.526 1.00 40.64 ? 270 SER A CB 1 ATOM 2141 O OG . SER A 1 270 ? -30.165 34.055 -0.387 1.00 40.94 ? 270 SER A OG 1 ATOM 2142 N N . ASP A 1 271 ? -28.742 32.753 1.621 1.00 56.63 ? 271 ASP A N 1 ATOM 2143 C CA . ASP A 1 271 ? -27.303 32.711 1.865 1.00 61.34 ? 271 ASP A CA 1 ATOM 2144 C C . ASP A 1 271 ? -26.505 33.532 0.884 1.00 61.48 ? 271 ASP A C 1 ATOM 2145 O O . ASP A 1 271 ? -25.309 33.580 0.934 1.00 63.62 ? 271 ASP A O 1 ATOM 2146 C CB . ASP A 1 271 ? -26.822 31.298 1.666 1.00 59.75 ? 271 ASP A CB 1 ATOM 2147 C CG . ASP A 1 271 ? -26.744 30.554 2.925 1.00 77.52 ? 271 ASP A CG 1 ATOM 2148 O OD1 . ASP A 1 271 ? -27.019 29.349 2.922 1.00 77.27 ? 271 ASP A OD1 1 ATOM 2149 O OD2 . ASP A 1 271 ? -26.415 31.171 3.942 1.00 89.50 ? 271 ASP A OD2 1 ATOM 2150 N N . LEU A 1 272 ? -27.186 34.136 -0.048 1.00 44.98 ? 272 LEU A N 1 ATOM 2151 C CA . LEU A 1 272 ? -26.530 34.831 -1.146 1.00 46.70 ? 272 LEU A CA 1 ATOM 2152 C C . LEU A 1 272 ? -25.761 36.054 -0.652 1.00 47.63 ? 272 LEU A C 1 ATOM 2153 O O . LEU A 1 272 ? -26.190 36.727 0.291 1.00 43.54 ? 272 LEU A O 1 ATOM 2154 C CB . LEU A 1 272 ? -27.553 35.253 -2.207 1.00 40.15 ? 272 LEU A CB 1 ATOM 2155 C CG . LEU A 1 272 ? -28.129 34.167 -3.116 1.00 40.82 ? 272 LEU A CG 1 ATOM 2156 C CD1 . LEU A 1 272 ? -29.159 34.771 -4.066 1.00 39.08 ? 272 LEU A CD1 1 ATOM 2157 C CD2 . LEU A 1 272 ? -27.026 33.466 -3.895 1.00 41.94 ? 272 LEU A CD2 1 ATOM 2158 N N . PRO A 1 273 ? -24.623 36.352 -1.298 1.00 43.23 ? 273 PRO A N 1 ATOM 2159 C CA . PRO A 1 273 ? -23.823 37.512 -0.897 1.00 39.13 ? 273 PRO A CA 1 ATOM 2160 C C . PRO A 1 273 ? -24.509 38.828 -1.218 1.00 38.73 ? 273 PRO A C 1 ATOM 2161 O O . PRO A 1 273 ? -25.142 38.941 -2.262 1.00 42.71 ? 273 PRO A O 1 ATOM 2162 C CB . PRO A 1 273 ? -22.543 37.358 -1.722 1.00 43.51 ? 273 PRO A CB 1 ATOM 2163 C CG . PRO A 1 273 ? -22.964 36.584 -2.929 1.00 39.02 ? 273 PRO A CG 1 ATOM 2164 C CD . PRO A 1 273 ? -24.006 35.618 -2.419 1.00 42.90 ? 273 PRO A CD 1 ATOM 2165 N N . ILE A 1 274 ? -24.386 39.797 -0.315 1.00 47.81 ? 274 ILE A N 1 ATOM 2166 C CA . ILE A 1 274 ? -24.793 41.174 -0.570 1.00 46.89 ? 274 ILE A CA 1 ATOM 2167 C C . ILE A 1 274 ? -23.575 41.928 -1.084 1.00 52.57 ? 274 ILE A C 1 ATOM 2168 O O . ILE A 1 274 ? -22.504 41.880 -0.477 1.00 58.76 ? 274 ILE A O 1 ATOM 2169 C CB . ILE A 1 274 ? -25.346 41.869 0.699 1.00 43.65 ? 274 ILE A CB 1 ATOM 2170 C CG1 . ILE A 1 274 ? -26.537 41.090 1.263 1.00 45.54 ? 274 ILE A CG1 1 ATOM 2171 C CG2 . ILE A 1 274 ? -25.727 43.325 0.414 1.00 38.65 ? 274 ILE A CG2 1 ATOM 2172 C CD1 . ILE A 1 274 ? -27.232 41.782 2.405 1.00 42.28 ? 274 ILE A CD1 1 ATOM 2173 N N . GLU A 1 275 ? -23.724 42.612 -2.209 1.00 45.95 ? 275 GLU A N 1 ATOM 2174 C CA . GLU A 1 275 ? -22.575 43.255 -2.822 1.00 47.96 ? 275 GLU A CA 1 ATOM 2175 C C . GLU A 1 275 ? -22.852 44.721 -3.102 1.00 54.00 ? 275 GLU A C 1 ATOM 2176 O O . GLU A 1 275 ? -23.927 45.234 -2.784 1.00 52.90 ? 275 GLU A O 1 ATOM 2177 C CB . GLU A 1 275 ? -22.173 42.518 -4.100 1.00 49.38 ? 275 GLU A CB 1 ATOM 2178 C CG . GLU A 1 275 ? -21.653 41.105 -3.832 1.00 51.96 ? 275 GLU A CG 1 ATOM 2179 C CD . GLU A 1 275 ? -21.208 40.387 -5.090 1.00 60.25 ? 275 GLU A CD 1 ATOM 2180 O OE1 . GLU A 1 275 ? -21.171 41.031 -6.165 1.00 61.30 ? 275 GLU A OE1 1 ATOM 2181 O OE2 . GLU A 1 275 ? -20.890 39.179 -4.999 1.00 60.25 ? 275 GLU A OE2 1 ATOM 2182 N N . ASN A 1 276 ? -21.864 45.399 -3.674 1.00 58.76 ? 276 ASN A N 1 ATOM 2183 C CA . ASN A 1 276 ? -21.986 46.820 -3.938 1.00 59.82 ? 276 ASN A CA 1 ATOM 2184 C C . ASN A 1 276 ? -22.406 47.055 -5.377 1.00 63.70 ? 276 ASN A C 1 ATOM 2185 O O . ASN A 1 276 ? -21.571 47.275 -6.255 1.00 69.15 ? 276 ASN A O 1 ATOM 2186 C CB . ASN A 1 276 ? -20.673 47.538 -3.640 1.00 63.06 ? 276 ASN A CB 1 ATOM 2187 C CG . ASN A 1 276 ? -20.816 49.046 -3.672 1.00 70.05 ? 276 ASN A CG 1 ATOM 2188 O OD1 . ASN A 1 276 ? -21.879 49.590 -3.359 1.00 65.16 ? 276 ASN A OD1 1 ATOM 2189 N ND2 . ASN A 1 276 ? -19.744 49.732 -4.063 1.00 70.72 ? 276 ASN A ND2 1 ATOM 2190 N N . CYS A 1 277 ? -23.712 46.997 -5.609 1.00 63.72 ? 277 CYS A N 1 ATOM 2191 C CA . CYS A 1 277 ? -24.262 47.137 -6.948 1.00 57.41 ? 277 CYS A CA 1 ATOM 2192 C C . CYS A 1 277 ? -25.683 47.685 -6.896 1.00 56.37 ? 277 CYS A C 1 ATOM 2193 O O . CYS A 1 277 ? -26.306 47.734 -5.836 1.00 58.55 ? 277 CYS A O 1 ATOM 2194 C CB . CYS A 1 277 ? -24.230 45.790 -7.676 1.00 61.97 ? 277 CYS A CB 1 ATOM 2195 S SG . CYS A 1 277 ? -25.051 44.432 -6.780 1.00 79.41 ? 277 CYS A SG 1 ATOM 2196 N N . ASP A 1 278 ? -26.186 48.115 -8.045 1.00 61.26 ? 278 ASP A N 1 ATOM 2197 C CA . ASP A 1 278 ? -27.555 48.593 -8.134 1.00 54.39 ? 278 ASP A CA 1 ATOM 2198 C C . ASP A 1 278 ? -28.427 47.606 -8.895 1.00 47.67 ? 278 ASP A C 1 ATOM 2199 O O . ASP A 1 278 ? -27.928 46.771 -9.650 1.00 44.32 ? 278 ASP A O 1 ATOM 2200 C CB . ASP A 1 278 ? -27.606 49.962 -8.801 1.00 49.89 ? 278 ASP A CB 1 ATOM 2201 C CG . ASP A 1 278 ? -27.875 51.068 -7.816 1.00 62.34 ? 278 ASP A CG 1 ATOM 2202 O OD1 . ASP A 1 278 ? -28.308 50.753 -6.689 1.00 66.60 ? 278 ASP A OD1 1 ATOM 2203 O OD2 . ASP A 1 278 ? -27.662 52.250 -8.161 1.00 74.52 ? 278 ASP A OD2 1 ATOM 2204 N N . ALA A 1 279 ? -29.733 47.699 -8.674 1.00 40.81 ? 279 ALA A N 1 ATOM 2205 C CA . ALA A 1 279 ? -30.686 46.871 -9.391 1.00 38.59 ? 279 ALA A CA 1 ATOM 2206 C C . ALA A 1 279 ? -32.066 47.506 -9.357 1.00 37.41 ? 279 ALA A C 1 ATOM 2207 O O . ALA A 1 279 ? -32.383 48.280 -8.456 1.00 37.20 ? 279 ALA A O 1 ATOM 2208 C CB . ALA A 1 279 ? -30.727 45.470 -8.799 1.00 40.81 ? 279 ALA A CB 1 ATOM 2209 N N . THR A 1 280 ? -32.885 47.187 -10.349 1.00 39.36 ? 280 THR A N 1 ATOM 2210 C CA . THR A 1 280 ? -34.277 47.613 -10.332 1.00 39.75 ? 280 THR A CA 1 ATOM 2211 C C . THR A 1 280 ? -35.152 46.428 -9.953 1.00 36.47 ? 280 THR A C 1 ATOM 2212 O O . THR A 1 280 ? -36.279 46.599 -9.490 1.00 38.62 ? 280 THR A O 1 ATOM 2213 C CB . THR A 1 280 ? -34.721 48.192 -11.692 1.00 42.81 ? 280 THR A CB 1 ATOM 2214 O OG1 . THR A 1 280 ? -34.213 47.373 -12.754 1.00 52.32 ? 280 THR A OG1 1 ATOM 2215 C CG2 . THR A 1 280 ? -34.188 49.601 -11.867 1.00 31.25 ? 280 THR A CG2 1 ATOM 2216 N N . CYS A 1 281 ? -34.604 45.227 -10.126 1.00 39.67 ? 281 CYS A N 1 ATOM 2217 C CA . CYS A 1 281 ? -35.335 43.986 -9.892 1.00 39.13 ? 281 CYS A CA 1 ATOM 2218 C C . CYS A 1 281 ? -34.504 42.975 -9.108 1.00 39.42 ? 281 CYS A C 1 ATOM 2219 O O . CYS A 1 281 ? -33.480 42.489 -9.590 1.00 40.60 ? 281 CYS A O 1 ATOM 2220 C CB . CYS A 1 281 ? -35.777 43.370 -11.225 1.00 37.68 ? 281 CYS A CB 1 ATOM 2221 S SG . CYS A 1 281 ? -36.420 41.668 -11.098 1.00 47.12 ? 281 CYS A SG 1 ATOM 2222 N N . GLN A 1 282 ? -34.959 42.647 -7.903 1.00 35.30 ? 282 GLN A N 1 ATOM 2223 C CA . GLN A 1 282 ? -34.240 41.713 -7.043 1.00 31.33 ? 282 GLN A CA 1 ATOM 2224 C C . GLN A 1 282 ? -35.139 40.560 -6.598 1.00 33.13 ? 282 GLN A C 1 ATOM 2225 O O . GLN A 1 282 ? -36.116 40.785 -5.869 1.00 29.92 ? 282 GLN A O 1 ATOM 2226 C CB . GLN A 1 282 ? -33.688 42.443 -5.815 1.00 31.69 ? 282 GLN A CB 1 ATOM 2227 C CG . GLN A 1 282 ? -32.990 41.531 -4.807 1.00 30.61 ? 282 GLN A CG 1 ATOM 2228 C CD . GLN A 1 282 ? -31.605 41.130 -5.262 1.00 34.53 ? 282 GLN A CD 1 ATOM 2229 O OE1 . GLN A 1 282 ? -30.742 41.981 -5.466 1.00 39.55 ? 282 GLN A OE1 1 ATOM 2230 N NE2 . GLN A 1 282 ? -31.382 39.836 -5.426 1.00 31.53 ? 282 GLN A NE2 1 ATOM 2231 N N . THR A 1 283 ? -34.817 39.339 -7.035 1.00 26.18 ? 283 THR A N 1 ATOM 2232 C CA . THR A 1 283 ? -35.542 38.148 -6.586 1.00 28.80 ? 283 THR A CA 1 ATOM 2233 C C . THR A 1 283 ? -34.770 37.467 -5.470 1.00 33.38 ? 283 THR A C 1 ATOM 2234 O O . THR A 1 283 ? -33.606 37.779 -5.227 1.00 33.05 ? 283 THR A O 1 ATOM 2235 C CB . THR A 1 283 ? -35.783 37.109 -7.722 1.00 28.57 ? 283 THR A CB 1 ATOM 2236 O OG1 . THR A 1 283 ? -34.603 36.319 -7.933 1.00 30.73 ? 283 THR A OG1 1 ATOM 2237 C CG2 . THR A 1 283 ? -36.186 37.784 -9.014 1.00 23.91 ? 283 THR A CG2 1 ATOM 2238 N N . ILE A 1 284 ? -35.415 36.520 -4.803 1.00 33.78 ? 284 ILE A N 1 ATOM 2239 C CA . ILE A 1 284 ? -34.795 35.855 -3.671 1.00 34.16 ? 284 ILE A CA 1 ATOM 2240 C C . ILE A 1 284 ? -33.570 35.037 -4.100 1.00 36.75 ? 284 ILE A C 1 ATOM 2241 O O . ILE A 1 284 ? -32.673 34.782 -3.293 1.00 37.39 ? 284 ILE A O 1 ATOM 2242 C CB . ILE A 1 284 ? -35.801 34.948 -2.938 1.00 35.55 ? 284 ILE A CB 1 ATOM 2243 C CG1 . ILE A 1 284 ? -35.239 34.512 -1.582 1.00 36.17 ? 284 ILE A CG1 1 ATOM 2244 C CG2 . ILE A 1 284 ? -36.183 33.742 -3.799 1.00 30.64 ? 284 ILE A CG2 1 ATOM 2245 C CD1 . ILE A 1 284 ? -36.262 33.861 -0.686 1.00 36.37 ? 284 ILE A CD1 1 ATOM 2246 N N . THR A 1 285 ? -33.514 34.641 -5.369 1.00 38.32 ? 285 THR A N 1 ATOM 2247 C CA . THR A 1 285 ? -32.388 33.828 -5.830 1.00 39.38 ? 285 THR A CA 1 ATOM 2248 C C . THR A 1 285 ? -31.428 34.590 -6.742 1.00 36.49 ? 285 THR A C 1 ATOM 2249 O O . THR A 1 285 ? -30.555 33.988 -7.350 1.00 40.00 ? 285 THR A O 1 ATOM 2250 C CB . THR A 1 285 ? -32.859 32.565 -6.567 1.00 37.13 ? 285 THR A CB 1 ATOM 2251 O OG1 . THR A 1 285 ? -33.705 32.936 -7.656 1.00 45.15 ? 285 THR A OG1 1 ATOM 2252 C CG2 . THR A 1 285 ? -33.632 31.650 -5.626 1.00 38.77 ? 285 THR A CG2 1 ATOM 2253 N N . GLY A 1 286 ? -31.564 35.911 -6.814 1.00 30.13 ? 286 GLY A N 1 ATOM 2254 C CA . GLY A 1 286 ? -30.655 36.696 -7.625 1.00 33.54 ? 286 GLY A CA 1 ATOM 2255 C C . GLY A 1 286 ? -31.269 37.916 -8.293 1.00 36.74 ? 286 GLY A C 1 ATOM 2256 O O . GLY A 1 286 ? -32.481 38.123 -8.249 1.00 30.92 ? 286 GLY A O 1 ATOM 2257 N N . VAL A 1 287 ? -30.412 38.723 -8.913 1.00 36.15 ? 287 VAL A N 1 ATOM 2258 C CA . VAL A 1 287 ? -30.824 39.933 -9.611 1.00 33.75 ? 287 VAL A CA 1 ATOM 2259 C C . VAL A 1 287 ? -31.185 39.628 -11.056 1.00 40.29 ? 287 VAL A C 1 ATOM 2260 O O . VAL A 1 287 ? -30.497 38.846 -11.718 1.00 41.75 ? 287 VAL A O 1 ATOM 2261 C CB . VAL A 1 287 ? -29.705 40.995 -9.596 1.00 38.06 ? 287 VAL A CB 1 ATOM 2262 C CG1 . VAL A 1 287 ? -30.126 42.240 -10.355 1.00 35.77 ? 287 VAL A CG1 1 ATOM 2263 C CG2 . VAL A 1 287 ? -29.324 41.338 -8.176 1.00 41.86 ? 287 VAL A CG2 1 ATOM 2264 N N . LEU A 1 288 ? -32.261 40.236 -11.547 1.00 37.86 ? 288 LEU A N 1 ATOM 2265 C CA . LEU A 1 288 ? -32.562 40.185 -12.973 1.00 43.03 ? 288 LEU A CA 1 ATOM 2266 C C . LEU A 1 288 ? -32.251 41.518 -13.639 1.00 40.63 ? 288 LEU A C 1 ATOM 2267 O O . LEU A 1 288 ? -32.723 42.567 -13.210 1.00 43.32 ? 288 LEU A O 1 ATOM 2268 C CB . LEU A 1 288 ? -34.029 39.828 -13.222 1.00 45.35 ? 288 LEU A CB 1 ATOM 2269 C CG . LEU A 1 288 ? -34.572 38.539 -12.619 1.00 39.09 ? 288 LEU A CG 1 ATOM 2270 C CD1 . LEU A 1 288 ? -35.950 38.292 -13.182 1.00 32.10 ? 288 LEU A CD1 1 ATOM 2271 C CD2 . LEU A 1 288 ? -33.640 37.370 -12.897 1.00 40.68 ? 288 LEU A CD2 1 ATOM 2272 N N . ARG A 1 289 ? -31.451 41.472 -14.691 1.00 41.29 ? 289 ARG A N 1 ATOM 2273 C CA . ARG A 1 289 ? -31.213 42.654 -15.496 1.00 44.61 ? 289 ARG A CA 1 ATOM 2274 C C . ARG A 1 289 ? -31.769 42.430 -16.901 1.00 40.60 ? 289 ARG A C 1 ATOM 2275 O O . ARG A 1 289 ? -31.083 41.900 -17.765 1.00 43.06 ? 289 ARG A O 1 ATOM 2276 C CB . ARG A 1 289 ? -29.722 42.976 -15.529 1.00 46.47 ? 289 ARG A CB 1 ATOM 2277 C CG . ARG A 1 289 ? -29.373 44.284 -14.850 1.00 49.53 ? 289 ARG A CG 1 ATOM 2278 C CD . ARG A 1 289 ? -27.872 44.467 -14.726 1.00 47.50 ? 289 ARG A CD 1 ATOM 2279 N NE . ARG A 1 289 ? -27.377 43.973 -13.446 1.00 50.79 ? 289 ARG A NE 1 ATOM 2280 C CZ . ARG A 1 289 ? -27.441 44.666 -12.312 1.00 46.90 ? 289 ARG A CZ 1 ATOM 2281 N NH1 . ARG A 1 289 ? -27.984 45.876 -12.310 1.00 35.50 ? 289 ARG A NH1 1 ATOM 2282 N NH2 . ARG A 1 289 ? -26.969 44.149 -11.182 1.00 47.25 ? 289 ARG A NH2 1 ATOM 2283 N N . THR A 1 290 ? -33.028 42.814 -17.104 1.00 44.60 ? 290 THR A N 1 ATOM 2284 C CA . THR A 1 290 ? -33.730 42.590 -18.370 1.00 45.12 ? 290 THR A CA 1 ATOM 2285 C C . THR A 1 290 ? -34.769 43.607 -18.748 1.00 43.40 ? 290 THR A C 1 ATOM 2286 O O . THR A 1 290 ? -35.273 44.352 -17.907 1.00 35.33 ? 290 THR A O 1 ATOM 2287 C CB . THR A 1 290 ? -34.494 41.265 -18.395 1.00 44.71 ? 290 THR A CB 1 ATOM 2288 O OG1 . THR A 1 290 ? -34.836 40.869 -17.055 1.00 44.86 ? 290 THR A OG1 1 ATOM 2289 C CG2 . THR A 1 290 ? -33.715 40.217 -19.121 1.00 39.01 ? 290 THR A CG2 1 ATOM 2290 N N . ASN A 1 291 ? -35.111 43.572 -20.034 1.00 45.37 ? 291 ASN A N 1 ATOM 2291 C CA . ASN A 1 291 ? -36.252 44.289 -20.576 1.00 46.49 ? 291 ASN A CA 1 ATOM 2292 C C . ASN A 1 291 ? -37.378 43.296 -20.886 1.00 44.27 ? 291 ASN A C 1 ATOM 2293 O O . ASN A 1 291 ? -38.475 43.685 -21.277 1.00 44.47 ? 291 ASN A O 1 ATOM 2294 C CB . ASN A 1 291 ? -35.846 45.064 -21.835 1.00 48.14 ? 291 ASN A CB 1 ATOM 2295 C CG . ASN A 1 291 ? -35.354 44.151 -22.956 1.00 61.33 ? 291 ASN A CG 1 ATOM 2296 O OD1 . ASN A 1 291 ? -34.957 43.005 -22.717 1.00 58.45 ? 291 ASN A OD1 1 ATOM 2297 N ND2 . ASN A 1 291 ? -35.370 44.662 -24.187 1.00 71.31 ? 291 ASN A ND2 1 ATOM 2298 N N . LYS A 1 292 ? -37.089 42.010 -20.696 1.00 42.31 ? 292 LYS A N 1 ATOM 2299 C CA . LYS A 1 292 ? -38.004 40.935 -21.082 1.00 37.22 ? 292 LYS A CA 1 ATOM 2300 C C . LYS A 1 292 ? -39.267 40.881 -20.231 1.00 35.90 ? 292 LYS A C 1 ATOM 2301 O O . LYS A 1 292 ? -39.307 41.411 -19.121 1.00 36.73 ? 292 LYS A O 1 ATOM 2302 C CB . LYS A 1 292 ? -37.281 39.589 -21.033 1.00 36.52 ? 292 LYS A CB 1 ATOM 2303 C CG . LYS A 1 292 ? -36.410 39.370 -22.252 1.00 38.00 ? 292 LYS A CG 1 ATOM 2304 C CD . LYS A 1 292 ? -35.623 38.095 -22.187 1.00 36.80 ? 292 LYS A CD 1 ATOM 2305 C CE . LYS A 1 292 ? -34.680 38.026 -23.374 1.00 41.67 ? 292 LYS A CE 1 ATOM 2306 N NZ . LYS A 1 292 ? -33.697 36.918 -23.212 1.00 49.07 ? 292 LYS A NZ 1 ATOM 2307 N N . THR A 1 293 ? -40.299 40.234 -20.769 1.00 35.07 ? 293 THR A N 1 ATOM 2308 C CA . THR A 1 293 ? -41.643 40.298 -20.201 1.00 32.60 ? 293 THR A CA 1 ATOM 2309 C C . THR A 1 293 ? -41.901 39.235 -19.136 1.00 30.27 ? 293 THR A C 1 ATOM 2310 O O . THR A 1 293 ? -42.659 39.467 -18.196 1.00 25.61 ? 293 THR A O 1 ATOM 2311 C CB . THR A 1 293 ? -42.702 40.157 -21.307 1.00 31.76 ? 293 THR A CB 1 ATOM 2312 O OG1 . THR A 1 293 ? -42.338 40.991 -22.412 1.00 38.14 ? 293 THR A OG1 1 ATOM 2313 C CG2 . THR A 1 293 ? -44.077 40.566 -20.798 1.00 33.89 ? 293 THR A CG2 1 ATOM 2314 N N . PHE A 1 294 ? -41.271 38.075 -19.304 1.00 25.03 ? 294 PHE A N 1 ATOM 2315 C CA . PHE A 1 294 ? -41.429 36.949 -18.393 1.00 24.97 ? 294 PHE A CA 1 ATOM 2316 C C . PHE A 1 294 ? -40.090 36.533 -17.809 1.00 27.96 ? 294 PHE A C 1 ATOM 2317 O O . PHE A 1 294 ? -39.034 36.864 -18.352 1.00 25.12 ? 294 PHE A O 1 ATOM 2318 C CB . PHE A 1 294 ? -42.049 35.739 -19.105 1.00 26.13 ? 294 PHE A CB 1 ATOM 2319 C CG . PHE A 1 294 ? -43.331 36.034 -19.817 1.00 28.50 ? 294 PHE A CG 1 ATOM 2320 C CD1 . PHE A 1 294 ? -44.540 35.999 -19.140 1.00 22.95 ? 294 PHE A CD1 1 ATOM 2321 C CD2 . PHE A 1 294 ? -43.330 36.343 -21.173 1.00 29.55 ? 294 PHE A CD2 1 ATOM 2322 C CE1 . PHE A 1 294 ? -45.722 36.269 -19.802 1.00 21.60 ? 294 PHE A CE1 1 ATOM 2323 C CE2 . PHE A 1 294 ? -44.512 36.611 -21.838 1.00 27.21 ? 294 PHE A CE2 1 ATOM 2324 C CZ . PHE A 1 294 ? -45.708 36.571 -21.152 1.00 22.68 ? 294 PHE A CZ 1 ATOM 2325 N N . GLN A 1 295 ? -40.143 35.776 -16.719 1.00 22.44 ? 295 GLN A N 1 ATOM 2326 C CA . GLN A 1 295 ? -38.943 35.211 -16.122 1.00 24.23 ? 295 GLN A CA 1 ATOM 2327 C C . GLN A 1 295 ? -39.314 33.910 -15.424 1.00 25.66 ? 295 GLN A C 1 ATOM 2328 O O . GLN A 1 295 ? -40.437 33.762 -14.959 1.00 24.55 ? 295 GLN A O 1 ATOM 2329 C CB . GLN A 1 295 ? -38.297 36.205 -15.148 1.00 25.25 ? 295 GLN A CB 1 ATOM 2330 C CG . GLN A 1 295 ? -39.253 36.820 -14.120 1.00 21.78 ? 295 GLN A CG 1 ATOM 2331 C CD . GLN A 1 295 ? -39.234 36.068 -12.801 1.00 25.61 ? 295 GLN A CD 1 ATOM 2332 O OE1 . GLN A 1 295 ? -38.479 35.100 -12.635 1.00 27.24 ? 295 GLN A OE1 1 ATOM 2333 N NE2 . GLN A 1 295 ? -40.070 36.496 -11.860 1.00 22.04 ? 295 GLN A NE2 1 ATOM 2334 N N . ASN A 1 296 ? -38.391 32.955 -15.382 1.00 28.26 ? 296 ASN A N 1 ATOM 2335 C CA . ASN A 1 296 ? -38.642 31.703 -14.674 1.00 27.33 ? 296 ASN A CA 1 ATOM 2336 C C . ASN A 1 296 ? -37.645 31.483 -13.533 1.00 29.37 ? 296 ASN A C 1 ATOM 2337 O O . ASN A 1 296 ? -37.355 30.353 -13.149 1.00 27.70 ? 296 ASN A O 1 ATOM 2338 C CB . ASN A 1 296 ? -38.622 30.518 -15.645 1.00 27.52 ? 296 ASN A CB 1 ATOM 2339 C CG . ASN A 1 296 ? -37.268 30.300 -16.292 1.00 27.38 ? 296 ASN A CG 1 ATOM 2340 O OD1 . ASN A 1 296 ? -36.321 31.041 -16.059 1.00 34.16 ? 296 ASN A OD1 1 ATOM 2341 N ND2 . ASN A 1 296 ? -37.175 29.271 -17.110 1.00 26.79 ? 296 ASN A ND2 1 ATOM 2342 N N . VAL A 1 297 ? -37.132 32.585 -12.994 1.00 31.05 ? 297 VAL A N 1 ATOM 2343 C CA . VAL A 1 297 ? -36.181 32.538 -11.889 1.00 29.83 ? 297 VAL A CA 1 ATOM 2344 C C . VAL A 1 297 ? -36.872 32.418 -10.527 1.00 32.29 ? 297 VAL A C 1 ATOM 2345 O O . VAL A 1 297 ? -36.562 31.508 -9.770 1.00 38.92 ? 297 VAL A O 1 ATOM 2346 C CB . VAL A 1 297 ? -35.265 33.782 -11.904 1.00 33.32 ? 297 VAL A CB 1 ATOM 2347 C CG1 . VAL A 1 297 ? -34.426 33.844 -10.653 1.00 31.98 ? 297 VAL A CG1 1 ATOM 2348 C CG2 . VAL A 1 297 ? -34.375 33.758 -13.138 1.00 33.85 ? 297 VAL A CG2 1 ATOM 2349 N N . SER A 1 298 ? -37.816 33.311 -10.225 1.00 31.86 ? 298 SER A N 1 ATOM 2350 C CA . SER A 1 298 ? -38.497 33.287 -8.932 1.00 31.98 ? 298 SER A CA 1 ATOM 2351 C C . SER A 1 298 ? -39.820 34.063 -8.893 1.00 30.87 ? 298 SER A C 1 ATOM 2352 O O . SER A 1 298 ? -39.916 35.152 -9.449 1.00 28.96 ? 298 SER A O 1 ATOM 2353 C CB . SER A 1 298 ? -37.566 33.846 -7.844 1.00 36.47 ? 298 SER A CB 1 ATOM 2354 O OG . SER A 1 298 ? -38.205 33.859 -6.572 1.00 30.05 ? 298 SER A OG 1 ATOM 2355 N N . PRO A 1 299 ? -40.834 33.509 -8.198 1.00 32.43 ? 299 PRO A N 1 ATOM 2356 C CA . PRO A 1 299 ? -42.085 34.220 -7.904 1.00 29.51 ? 299 PRO A CA 1 ATOM 2357 C C . PRO A 1 299 ? -41.922 35.262 -6.791 1.00 31.55 ? 299 PRO A C 1 ATOM 2358 O O . PRO A 1 299 ? -42.806 36.094 -6.590 1.00 31.75 ? 299 PRO A O 1 ATOM 2359 C CB . PRO A 1 299 ? -43.014 33.100 -7.439 1.00 30.51 ? 299 PRO A CB 1 ATOM 2360 C CG . PRO A 1 299 ? -42.080 32.120 -6.765 1.00 22.20 ? 299 PRO A CG 1 ATOM 2361 C CD . PRO A 1 299 ? -40.829 32.150 -7.614 1.00 31.47 ? 299 PRO A CD 1 ATOM 2362 N N . LEU A 1 300 ? -40.798 35.194 -6.081 1.00 35.71 ? 300 LEU A N 1 ATOM 2363 C CA . LEU A 1 300 ? -40.527 36.023 -4.905 1.00 32.27 ? 300 LEU A CA 1 ATOM 2364 C C . LEU A 1 300 ? -39.524 37.131 -5.203 1.00 31.70 ? 300 LEU A C 1 ATOM 2365 O O . LEU A 1 300 ? -38.354 36.855 -5.464 1.00 34.55 ? 300 LEU A O 1 ATOM 2366 C CB . LEU A 1 300 ? -39.989 35.147 -3.778 1.00 33.35 ? 300 LEU A CB 1 ATOM 2367 C CG . LEU A 1 300 ? -40.615 35.280 -2.402 1.00 45.39 ? 300 LEU A CG 1 ATOM 2368 C CD1 . LEU A 1 300 ? -42.113 35.455 -2.532 1.00 43.00 ? 300 LEU A CD1 1 ATOM 2369 C CD2 . LEU A 1 300 ? -40.291 34.023 -1.619 1.00 45.11 ? 300 LEU A CD2 1 ATOM 2370 N N . TRP A 1 301 ? -39.963 38.382 -5.160 1.00 22.49 ? 301 TRP A N 1 ATOM 2371 C CA . TRP A 1 301 ? -39.067 39.483 -5.467 1.00 26.34 ? 301 TRP A CA 1 ATOM 2372 C C . TRP A 1 301 ? -39.510 40.802 -4.851 1.00 31.14 ? 301 TRP A C 1 ATOM 2373 O O . TRP A 1 301 ? -40.612 40.928 -4.325 1.00 34.15 ? 301 TRP A O 1 ATOM 2374 C CB . TRP A 1 301 ? -38.931 39.664 -6.992 1.00 31.38 ? 301 TRP A CB 1 ATOM 2375 C CG . TRP A 1 301 ? -40.180 40.214 -7.631 1.00 32.66 ? 301 TRP A CG 1 ATOM 2376 C CD1 . TRP A 1 301 ? -40.605 41.518 -7.639 1.00 30.31 ? 301 TRP A CD1 1 ATOM 2377 C CD2 . TRP A 1 301 ? -41.169 39.467 -8.344 1.00 28.47 ? 301 TRP A CD2 1 ATOM 2378 N NE1 . TRP A 1 301 ? -41.796 41.624 -8.311 1.00 34.80 ? 301 TRP A NE1 1 ATOM 2379 C CE2 . TRP A 1 301 ? -42.163 40.380 -8.759 1.00 34.05 ? 301 TRP A CE2 1 ATOM 2380 C CE3 . TRP A 1 301 ? -41.306 38.120 -8.677 1.00 26.74 ? 301 TRP A CE3 1 ATOM 2381 C CZ2 . TRP A 1 301 ? -43.276 39.985 -9.494 1.00 28.46 ? 301 TRP A CZ2 1 ATOM 2382 C CZ3 . TRP A 1 301 ? -42.411 37.728 -9.408 1.00 34.39 ? 301 TRP A CZ3 1 ATOM 2383 C CH2 . TRP A 1 301 ? -43.385 38.659 -9.807 1.00 31.13 ? 301 TRP A CH2 1 ATOM 2384 N N . ILE A 1 302 ? -38.617 41.781 -4.935 1.00 35.75 ? 302 ILE A N 1 ATOM 2385 C CA . ILE A 1 302 ? -38.894 43.161 -4.580 1.00 37.40 ? 302 ILE A CA 1 ATOM 2386 C C . ILE A 1 302 ? -38.431 43.928 -5.815 1.00 35.80 ? 302 ILE A C 1 ATOM 2387 O O . ILE A 1 302 ? -37.596 43.423 -6.559 1.00 37.45 ? 302 ILE A O 1 ATOM 2388 C CB . ILE A 1 302 ? -38.147 43.602 -3.263 1.00 41.91 ? 302 ILE A CB 1 ATOM 2389 C CG1 . ILE A 1 302 ? -38.875 44.738 -2.559 1.00 40.60 ? 302 ILE A CG1 1 ATOM 2390 C CG2 . ILE A 1 302 ? -36.695 43.989 -3.527 1.00 39.46 ? 302 ILE A CG2 1 ATOM 2391 C CD1 . ILE A 1 302 ? -40.228 44.345 -2.046 1.00 57.21 ? 302 ILE A CD1 1 ATOM 2392 N N . GLY A 1 303 ? -38.982 45.111 -6.065 1.00 38.97 ? 303 GLY A N 1 ATOM 2393 C CA . GLY A 1 303 ? -38.626 45.872 -7.252 1.00 33.47 ? 303 GLY A CA 1 ATOM 2394 C C . GLY A 1 303 ? -39.578 45.678 -8.420 1.00 41.88 ? 303 GLY A C 1 ATOM 2395 O O . GLY A 1 303 ? -40.667 45.138 -8.257 1.00 41.85 ? 303 GLY A O 1 ATOM 2396 N N . GLU A 1 304 ? -39.160 46.123 -9.603 1.00 47.65 ? 304 GLU A N 1 ATOM 2397 C CA . GLU A 1 304 ? -39.960 46.003 -10.820 1.00 42.82 ? 304 GLU A CA 1 ATOM 2398 C C . GLU A 1 304 ? -39.527 44.790 -11.645 1.00 42.55 ? 304 GLU A C 1 ATOM 2399 O O . GLU A 1 304 ? -38.587 44.873 -12.427 1.00 44.25 ? 304 GLU A O 1 ATOM 2400 C CB . GLU A 1 304 ? -39.836 47.275 -11.662 1.00 50.26 ? 304 GLU A CB 1 ATOM 2401 C CG . GLU A 1 304 ? -40.349 48.534 -10.985 1.00 57.51 ? 304 GLU A CG 1 ATOM 2402 C CD . GLU A 1 304 ? -41.859 48.632 -11.019 1.00 75.50 ? 304 GLU A CD 1 ATOM 2403 O OE1 . GLU A 1 304 ? -42.427 48.510 -12.131 1.00 75.48 ? 304 GLU A OE1 1 ATOM 2404 O OE2 . GLU A 1 304 ? -42.474 48.823 -9.940 1.00 76.43 ? 304 GLU A OE2 1 ATOM 2405 N N . CYS A 1 305 ? -40.215 43.666 -11.479 1.00 38.87 ? 305 CYS A N 1 ATOM 2406 C CA . CYS A 1 305 ? -39.779 42.412 -12.088 1.00 37.94 ? 305 CYS A CA 1 ATOM 2407 C C . CYS A 1 305 ? -40.715 41.924 -13.183 1.00 35.77 ? 305 CYS A C 1 ATOM 2408 O O . CYS A 1 305 ? -41.887 42.292 -13.214 1.00 37.14 ? 305 CYS A O 1 ATOM 2409 C CB . CYS A 1 305 ? -39.632 41.321 -11.015 1.00 35.23 ? 305 CYS A CB 1 ATOM 2410 S SG . CYS A 1 305 ? -38.143 41.510 -10.021 1.00 46.11 ? 305 CYS A SG 1 ATOM 2411 N N . PRO A 1 306 ? -40.196 41.091 -14.094 1.00 34.39 ? 306 PRO A N 1 ATOM 2412 C CA . PRO A 1 306 ? -41.085 40.488 -15.094 1.00 33.21 ? 306 PRO A CA 1 ATOM 2413 C C . PRO A 1 306 ? -41.969 39.392 -14.482 1.00 31.63 ? 306 PRO A C 1 ATOM 2414 O O . PRO A 1 306 ? -41.681 38.868 -13.398 1.00 29.68 ? 306 PRO A O 1 ATOM 2415 C CB . PRO A 1 306 ? -40.117 39.904 -16.133 1.00 29.00 ? 306 PRO A CB 1 ATOM 2416 C CG . PRO A 1 306 ? -38.776 40.542 -15.838 1.00 34.43 ? 306 PRO A CG 1 ATOM 2417 C CD . PRO A 1 306 ? -38.779 40.787 -14.357 1.00 31.16 ? 306 PRO A CD 1 ATOM 2418 N N . LYS A 1 307 ? -43.052 39.076 -15.179 1.00 28.58 ? 307 LYS A N 1 ATOM 2419 C CA . LYS A 1 307 ? -44.005 38.067 -14.753 1.00 30.36 ? 307 LYS A CA 1 ATOM 2420 C C . LYS A 1 307 ? -43.338 36.705 -14.574 1.00 26.01 ? 307 LYS A C 1 ATOM 2421 O O . LYS A 1 307 ? -42.657 36.218 -15.468 1.00 27.37 ? 307 LYS A O 1 ATOM 2422 C CB . LYS A 1 307 ? -45.140 37.974 -15.780 1.00 29.65 ? 307 LYS A CB 1 ATOM 2423 C CG . LYS A 1 307 ? -46.273 37.023 -15.437 1.00 29.06 ? 307 LYS A CG 1 ATOM 2424 C CD . LYS A 1 307 ? -47.405 37.186 -16.454 1.00 32.71 ? 307 LYS A CD 1 ATOM 2425 C CE . LYS A 1 307 ? -48.502 38.087 -15.905 1.00 37.36 ? 307 LYS A CE 1 ATOM 2426 N NZ . LYS A 1 307 ? -49.137 38.930 -16.952 1.00 42.20 ? 307 LYS A NZ 1 ATOM 2427 N N . TYR A 1 308 ? -43.547 36.081 -13.423 1.00 25.82 ? 308 TYR A N 1 ATOM 2428 C CA . TYR A 1 308 ? -43.003 34.746 -13.206 1.00 27.69 ? 308 TYR A CA 1 ATOM 2429 C C . TYR A 1 308 ? -43.866 33.676 -13.867 1.00 27.23 ? 308 TYR A C 1 ATOM 2430 O O . TYR A 1 308 ? -45.098 33.700 -13.808 1.00 27.33 ? 308 TYR A O 1 ATOM 2431 C CB . TYR A 1 308 ? -42.855 34.439 -11.720 1.00 25.49 ? 308 TYR A CB 1 ATOM 2432 C CG . TYR A 1 308 ? -42.297 33.064 -11.459 1.00 28.05 ? 308 TYR A CG 1 ATOM 2433 C CD1 . TYR A 1 308 ? -40.982 32.752 -11.783 1.00 27.34 ? 308 TYR A CD1 1 ATOM 2434 C CD2 . TYR A 1 308 ? -43.084 32.073 -10.888 1.00 32.85 ? 308 TYR A CD2 1 ATOM 2435 C CE1 . TYR A 1 308 ? -40.474 31.496 -11.546 1.00 25.73 ? 308 TYR A CE1 1 ATOM 2436 C CE2 . TYR A 1 308 ? -42.582 30.818 -10.642 1.00 28.96 ? 308 TYR A CE2 1 ATOM 2437 C CZ . TYR A 1 308 ? -41.281 30.534 -10.974 1.00 27.74 ? 308 TYR A CZ 1 ATOM 2438 O OH . TYR A 1 308 ? -40.789 29.278 -10.729 1.00 33.90 ? 308 TYR A OH 1 ATOM 2439 N N . VAL A 1 309 ? -43.185 32.715 -14.465 1.00 26.01 ? 309 VAL A N 1 ATOM 2440 C CA . VAL A 1 309 ? -43.814 31.723 -15.309 1.00 26.88 ? 309 VAL A CA 1 ATOM 2441 C C . VAL A 1 309 ? -42.934 30.473 -15.276 1.00 28.73 ? 309 VAL A C 1 ATOM 2442 O O . VAL A 1 309 ? -41.731 30.582 -15.045 1.00 29.12 ? 309 VAL A O 1 ATOM 2443 C CB . VAL A 1 309 ? -44.013 32.313 -16.717 1.00 26.89 ? 309 VAL A CB 1 ATOM 2444 C CG1 . VAL A 1 309 ? -43.258 31.550 -17.766 1.00 27.36 ? 309 VAL A CG1 1 ATOM 2445 C CG2 . VAL A 1 309 ? -45.499 32.421 -17.029 1.00 25.24 ? 309 VAL A CG2 1 ATOM 2446 N N . LYS A 1 310 ? -43.523 29.290 -15.430 1.00 30.28 ? 310 LYS A N 1 ATOM 2447 C CA . LYS A 1 310 ? -42.749 28.043 -15.300 1.00 33.00 ? 310 LYS A CA 1 ATOM 2448 C C . LYS A 1 310 ? -42.070 27.602 -16.601 1.00 33.11 ? 310 LYS A C 1 ATOM 2449 O O . LYS A 1 310 ? -41.341 26.613 -16.616 1.00 39.06 ? 310 LYS A O 1 ATOM 2450 C CB . LYS A 1 310 ? -43.637 26.904 -14.792 1.00 28.53 ? 310 LYS A CB 1 ATOM 2451 C CG . LYS A 1 310 ? -44.404 27.245 -13.539 1.00 39.41 ? 310 LYS A CG 1 ATOM 2452 C CD . LYS A 1 310 ? -44.363 26.121 -12.530 1.00 44.25 ? 310 LYS A CD 1 ATOM 2453 C CE . LYS A 1 310 ? -45.155 24.924 -13.000 1.00 48.74 ? 310 LYS A CE 1 ATOM 2454 N NZ . LYS A 1 310 ? -45.242 23.915 -11.902 1.00 60.54 ? 310 LYS A NZ 1 ATOM 2455 N N . SER A 1 311 ? -42.297 28.346 -17.677 1.00 29.11 ? 311 SER A N 1 ATOM 2456 C CA . SER A 1 311 ? -41.799 27.989 -19.014 1.00 29.78 ? 311 SER A CA 1 ATOM 2457 C C . SER A 1 311 ? -40.282 28.100 -19.167 1.00 31.43 ? 311 SER A C 1 ATOM 2458 O O . SER A 1 311 ? -39.657 29.007 -18.620 1.00 36.37 ? 311 SER A O 1 ATOM 2459 C CB . SER A 1 311 ? -42.465 28.883 -20.061 1.00 29.23 ? 311 SER A CB 1 ATOM 2460 O OG . SER A 1 311 ? -43.811 29.144 -19.703 1.00 33.56 ? 311 SER A OG 1 ATOM 2461 N N . GLU A 1 312 ? -39.693 27.188 -19.929 1.00 34.43 ? 312 GLU A N 1 ATOM 2462 C CA . GLU A 1 312 ? -38.273 27.284 -20.276 1.00 39.96 ? 312 GLU A CA 1 ATOM 2463 C C . GLU A 1 312 ? -38.033 28.395 -21.295 1.00 40.03 ? 312 GLU A C 1 ATOM 2464 O O . GLU A 1 312 ? -36.989 29.048 -21.294 1.00 40.13 ? 312 GLU A O 1 ATOM 2465 C CB . GLU A 1 312 ? -37.757 25.959 -20.845 1.00 38.81 ? 312 GLU A CB 1 ATOM 2466 C CG . GLU A 1 312 ? -37.852 24.781 -19.896 1.00 49.72 ? 312 GLU A CG 1 ATOM 2467 C CD . GLU A 1 312 ? -37.100 25.013 -18.601 1.00 62.12 ? 312 GLU A CD 1 ATOM 2468 O OE1 . GLU A 1 312 ? -36.062 25.717 -18.630 1.00 63.06 ? 312 GLU A OE1 1 ATOM 2469 O OE2 . GLU A 1 312 ? -37.547 24.490 -17.555 1.00 72.13 ? 312 GLU A OE2 1 ATOM 2470 N N . SER A 1 313 ? -39.017 28.602 -22.162 1.00 37.20 ? 313 SER A N 1 ATOM 2471 C CA . SER A 1 313 ? -38.863 29.487 -23.300 1.00 35.91 ? 313 SER A CA 1 ATOM 2472 C C . SER A 1 313 ? -40.206 30.010 -23.796 1.00 32.26 ? 313 SER A C 1 ATOM 2473 O O . SER A 1 313 ? -41.212 29.308 -23.765 1.00 36.76 ? 313 SER A O 1 ATOM 2474 C CB . SER A 1 313 ? -38.137 28.759 -24.437 1.00 34.92 ? 313 SER A CB 1 ATOM 2475 O OG . SER A 1 313 ? -37.939 29.616 -25.546 1.00 37.71 ? 313 SER A OG 1 ATOM 2476 N N . LEU A 1 314 ? -40.209 31.254 -24.253 1.00 27.22 ? 314 LEU A N 1 ATOM 2477 C CA . LEU A 1 314 ? -41.389 31.852 -24.851 1.00 29.33 ? 314 LEU A CA 1 ATOM 2478 C C . LEU A 1 314 ? -40.950 32.690 -26.047 1.00 27.03 ? 314 LEU A C 1 ATOM 2479 O O . LEU A 1 314 ? -40.968 33.917 -25.999 1.00 27.19 ? 314 LEU A O 1 ATOM 2480 C CB . LEU A 1 314 ? -42.155 32.697 -23.828 1.00 28.45 ? 314 LEU A CB 1 ATOM 2481 C CG . LEU A 1 314 ? -42.829 31.946 -22.669 1.00 27.31 ? 314 LEU A CG 1 ATOM 2482 C CD1 . LEU A 1 314 ? -43.269 32.912 -21.581 1.00 23.70 ? 314 LEU A CD1 1 ATOM 2483 C CD2 . LEU A 1 314 ? -44.024 31.119 -23.155 1.00 21.68 ? 314 LEU A CD2 1 ATOM 2484 N N . ARG A 1 315 ? -40.538 32.005 -27.110 1.00 30.53 ? 315 ARG A N 1 ATOM 2485 C CA . ARG A 1 315 ? -40.005 32.658 -28.300 1.00 34.01 ? 315 ARG A CA 1 ATOM 2486 C C . ARG A 1 315 ? -41.131 32.953 -29.285 1.00 29.46 ? 315 ARG A C 1 ATOM 2487 O O . ARG A 1 315 ? -41.834 32.055 -29.743 1.00 28.69 ? 315 ARG A O 1 ATOM 2488 C CB . ARG A 1 315 ? -38.913 31.788 -28.952 1.00 35.65 ? 315 ARG A CB 1 ATOM 2489 C CG . ARG A 1 315 ? -38.155 32.402 -30.146 1.00 30.26 ? 315 ARG A CG 1 ATOM 2490 C CD . ARG A 1 315 ? -36.678 31.951 -30.140 1.00 33.82 ? 315 ARG A CD 1 ATOM 2491 N NE . ARG A 1 315 ? -35.753 33.022 -29.745 1.00 38.07 ? 315 ARG A NE 1 ATOM 2492 C CZ . ARG A 1 315 ? -34.554 32.834 -29.190 1.00 43.00 ? 315 ARG A CZ 1 ATOM 2493 N NH1 . ARG A 1 315 ? -34.111 31.609 -28.931 1.00 56.73 ? 315 ARG A NH1 1 ATOM 2494 N NH2 . ARG A 1 315 ? -33.804 33.885 -28.875 1.00 50.92 ? 315 ARG A NH2 1 ATOM 2495 N N . LEU A 1 316 ? -41.293 34.233 -29.582 1.00 24.17 ? 316 LEU A N 1 ATOM 2496 C CA . LEU A 1 316 ? -42.311 34.713 -30.498 1.00 22.80 ? 316 LEU A CA 1 ATOM 2497 C C . LEU A 1 316 ? -41.725 34.901 -31.905 1.00 26.76 ? 316 LEU A C 1 ATOM 2498 O O . LEU A 1 316 ? -40.687 35.552 -32.078 1.00 26.99 ? 316 LEU A O 1 ATOM 2499 C CB . LEU A 1 316 ? -42.878 36.027 -29.964 1.00 25.39 ? 316 LEU A CB 1 ATOM 2500 C CG . LEU A 1 316 ? -44.309 36.484 -30.209 1.00 31.68 ? 316 LEU A CG 1 ATOM 2501 C CD1 . LEU A 1 316 ? -45.326 35.406 -29.858 1.00 26.40 ? 316 LEU A CD1 1 ATOM 2502 C CD2 . LEU A 1 316 ? -44.536 37.709 -29.355 1.00 25.08 ? 316 LEU A CD2 1 ATOM 2503 N N . ALA A 1 317 ? -42.377 34.328 -32.909 1.00 26.50 ? 317 ALA A N 1 ATOM 2504 C CA . ALA A 1 317 ? -41.982 34.571 -34.295 1.00 22.25 ? 317 ALA A CA 1 ATOM 2505 C C . ALA A 1 317 ? -42.324 35.996 -34.705 1.00 24.58 ? 317 ALA A C 1 ATOM 2506 O O . ALA A 1 317 ? -43.382 36.525 -34.347 1.00 23.71 ? 317 ALA A O 1 ATOM 2507 C CB . ALA A 1 317 ? -42.648 33.584 -35.224 1.00 22.71 ? 317 ALA A CB 1 ATOM 2508 N N . THR A 1 318 ? -41.413 36.629 -35.432 1.00 25.70 ? 318 THR A N 1 ATOM 2509 C CA . THR A 1 318 ? -41.690 37.938 -36.005 1.00 29.53 ? 318 THR A CA 1 ATOM 2510 C C . THR A 1 318 ? -41.495 37.856 -37.513 1.00 30.38 ? 318 THR A C 1 ATOM 2511 O O . THR A 1 318 ? -42.327 38.339 -38.284 1.00 28.40 ? 318 THR A O 1 ATOM 2512 C CB . THR A 1 318 ? -40.801 39.043 -35.397 1.00 29.29 ? 318 THR A CB 1 ATOM 2513 O OG1 . THR A 1 318 ? -39.422 38.683 -35.528 1.00 31.97 ? 318 THR A OG1 1 ATOM 2514 C CG2 . THR A 1 318 ? -41.121 39.224 -33.924 1.00 24.98 ? 318 THR A CG2 1 ATOM 2515 N N . GLY A 1 319 ? -40.405 37.219 -37.928 1.00 30.34 ? 319 GLY A N 1 ATOM 2516 C CA . GLY A 1 319 ? -40.167 36.977 -39.339 1.00 30.59 ? 319 GLY A CA 1 ATOM 2517 C C . GLY A 1 319 ? -40.890 35.735 -39.831 1.00 28.97 ? 319 GLY A C 1 ATOM 2518 O O . GLY A 1 319 ? -41.783 35.210 -39.173 1.00 30.97 ? 319 GLY A O 1 ATOM 2519 N N . LEU A 1 320 ? -40.490 35.237 -40.985 1.00 31.46 ? 320 LEU A N 1 ATOM 2520 C CA . LEU A 1 320 ? -41.245 34.180 -41.620 1.00 34.05 ? 320 LEU A CA 1 ATOM 2521 C C . LEU A 1 320 ? -40.484 32.864 -41.602 1.00 33.65 ? 320 LEU A C 1 ATOM 2522 O O . LEU A 1 320 ? -39.360 32.806 -41.116 1.00 35.91 ? 320 LEU A O 1 ATOM 2523 C CB . LEU A 1 320 ? -41.617 34.603 -43.048 1.00 37.06 ? 320 LEU A CB 1 ATOM 2524 C CG . LEU A 1 320 ? -40.525 35.114 -43.992 1.00 37.12 ? 320 LEU A CG 1 ATOM 2525 C CD1 . LEU A 1 320 ? -39.874 33.979 -44.739 1.00 42.31 ? 320 LEU A CD1 1 ATOM 2526 C CD2 . LEU A 1 320 ? -41.098 36.105 -44.972 1.00 39.07 ? 320 LEU A CD2 1 ATOM 2527 N N . ARG A 1 321 ? -41.121 31.808 -42.102 1.00 25.72 ? 321 ARG A N 1 ATOM 2528 C CA . ARG A 1 321 ? -40.495 30.490 -42.186 1.00 25.46 ? 321 ARG A CA 1 ATOM 2529 C C . ARG A 1 321 ? -39.194 30.553 -42.994 1.00 29.67 ? 321 ARG A C 1 ATOM 2530 O O . ARG A 1 321 ? -39.181 31.046 -44.119 1.00 29.31 ? 321 ARG A O 1 ATOM 2531 C CB . ARG A 1 321 ? -41.463 29.488 -42.813 1.00 23.18 ? 321 ARG A CB 1 ATOM 2532 C CG . ARG A 1 321 ? -40.951 28.061 -42.828 1.00 34.62 ? 321 ARG A CG 1 ATOM 2533 C CD . ARG A 1 321 ? -41.921 27.122 -43.541 1.00 30.80 ? 321 ARG A CD 1 ATOM 2534 N NE . ARG A 1 321 ? -43.230 27.078 -42.885 1.00 38.64 ? 321 ARG A NE 1 ATOM 2535 C CZ . ARG A 1 321 ? -43.610 26.167 -41.989 1.00 31.75 ? 321 ARG A CZ 1 ATOM 2536 N NH1 . ARG A 1 321 ? -42.778 25.201 -41.609 1.00 28.62 ? 321 ARG A NH1 1 ATOM 2537 N NH2 . ARG A 1 321 ? -44.832 26.225 -41.476 1.00 26.04 ? 321 ARG A NH2 1 ATOM 2538 N N . ASN A 1 322 ? -38.102 30.068 -42.413 1.00 32.04 ? 322 ASN A N 1 ATOM 2539 C CA . ASN A 1 322 ? -36.801 30.137 -43.061 1.00 29.68 ? 322 ASN A CA 1 ATOM 2540 C C . ASN A 1 322 ? -36.593 28.961 -44.014 1.00 37.86 ? 322 ASN A C 1 ATOM 2541 O O . ASN A 1 322 ? -36.385 27.825 -43.580 1.00 33.51 ? 322 ASN A O 1 ATOM 2542 C CB . ASN A 1 322 ? -35.680 30.174 -42.021 1.00 34.05 ? 322 ASN A CB 1 ATOM 2543 C CG . ASN A 1 322 ? -34.378 30.714 -42.589 1.00 39.70 ? 322 ASN A CG 1 ATOM 2544 O OD1 . ASN A 1 322 ? -34.389 31.546 -43.496 1.00 41.45 ? 322 ASN A OD1 1 ATOM 2545 N ND2 . ASN A 1 322 ? -33.247 30.236 -42.065 1.00 36.15 ? 322 ASN A ND2 1 ATOM 2546 N N . VAL A 1 323 ? -36.663 29.237 -45.315 1.00 29.45 ? 323 VAL A N 1 ATOM 2547 C CA . VAL A 1 323 ? -36.467 28.199 -46.321 1.00 36.45 ? 323 VAL A CA 1 ATOM 2548 C C . VAL A 1 323 ? -35.312 28.578 -47.270 1.00 38.51 ? 323 VAL A C 1 ATOM 2549 O O . VAL A 1 323 ? -35.552 28.947 -48.417 1.00 33.35 ? 323 VAL A O 1 ATOM 2550 C CB . VAL A 1 323 ? -37.771 27.959 -47.138 1.00 38.11 ? 323 VAL A CB 1 ATOM 2551 C CG1 . VAL A 1 323 ? -37.736 26.610 -47.852 1.00 30.25 ? 323 VAL A CG1 1 ATOM 2552 C CG2 . VAL A 1 323 ? -39.004 28.051 -46.235 1.00 27.70 ? 323 VAL A CG2 1 ATOM 2553 N N . PRO A 1 324 ? -34.052 28.502 -46.786 1.00 46.25 ? 324 PRO A N 1 ATOM 2554 C CA . PRO A 1 324 ? -32.913 28.843 -47.651 1.00 49.68 ? 324 PRO A CA 1 ATOM 2555 C C . PRO A 1 324 ? -32.648 27.774 -48.703 1.00 52.62 ? 324 PRO A C 1 ATOM 2556 O O . PRO A 1 324 ? -32.914 26.589 -48.464 1.00 46.32 ? 324 PRO A O 1 ATOM 2557 C CB . PRO A 1 324 ? -31.724 28.944 -46.676 1.00 49.54 ? 324 PRO A CB 1 ATOM 2558 C CG . PRO A 1 324 ? -32.262 28.630 -45.301 1.00 38.84 ? 324 PRO A CG 1 ATOM 2559 C CD . PRO A 1 324 ? -33.605 27.978 -45.485 1.00 43.72 ? 324 PRO A CD 1 ATOM 2560 N N . GLN A 1 325 ? -32.138 28.202 -49.855 1.00 49.04 ? 325 GLN A N 1 ATOM 2561 C CA . GLN A 1 325 ? -31.809 27.281 -50.937 1.00 59.66 ? 325 GLN A CA 1 ATOM 2562 C C . GLN A 1 325 ? -30.554 27.735 -51.678 1.00 58.15 ? 325 GLN A C 1 ATOM 2563 O O . GLN A 1 325 ? -29.510 27.088 -51.601 1.00 65.26 ? 325 GLN A O 1 ATOM 2564 C CB . GLN A 1 325 ? -32.989 27.156 -51.905 1.00 55.51 ? 325 GLN A CB 1 ATOM 2565 C CG . GLN A 1 325 ? -33.495 28.488 -52.424 1.00 57.54 ? 325 GLN A CG 1 ATOM 2566 C CD . GLN A 1 325 ? -34.753 28.349 -53.268 1.00 58.03 ? 325 GLN A CD 1 ATOM 2567 O OE1 . GLN A 1 325 ? -35.125 27.239 -53.666 1.00 57.85 ? 325 GLN A OE1 1 ATOM 2568 N NE2 . GLN A 1 325 ? -35.408 29.479 -53.555 1.00 42.17 ? 325 GLN A NE2 1 ATOM 2569 N N . GLY B 2 1 ? -48.258 26.382 -44.630 1.00 60.66 ? 330 GLY B N 1 ATOM 2570 C CA . GLY B 2 1 ? -49.009 27.626 -44.676 1.00 49.34 ? 330 GLY B CA 1 ATOM 2571 C C . GLY B 2 1 ? -50.330 27.461 -45.415 1.00 57.65 ? 330 GLY B C 1 ATOM 2572 O O . GLY B 2 1 ? -50.402 26.832 -46.484 1.00 51.90 ? 330 GLY B O 1 ATOM 2573 N N . ILE B 2 2 ? -51.388 28.040 -44.855 1.00 49.13 ? 331 ILE B N 1 ATOM 2574 C CA . ILE B 2 2 ? -52.716 27.859 -45.425 1.00 41.22 ? 331 ILE B CA 1 ATOM 2575 C C . ILE B 2 2 ? -52.940 28.669 -46.700 1.00 37.84 ? 331 ILE B C 1 ATOM 2576 O O . ILE B 2 2 ? -53.941 28.469 -47.380 1.00 39.06 ? 331 ILE B O 1 ATOM 2577 C CB . ILE B 2 2 ? -53.824 28.218 -44.408 1.00 36.42 ? 331 ILE B CB 1 ATOM 2578 C CG1 . ILE B 2 2 ? -53.694 29.666 -43.950 1.00 36.86 ? 331 ILE B CG1 1 ATOM 2579 C CG2 . ILE B 2 2 ? -53.791 27.279 -43.216 1.00 35.37 ? 331 ILE B CG2 1 ATOM 2580 C CD1 . ILE B 2 2 ? -54.740 30.064 -42.932 1.00 42.96 ? 331 ILE B CD1 1 ATOM 2581 N N . PHE B 2 3 ? -52.028 29.577 -47.043 1.00 32.50 ? 332 PHE B N 1 ATOM 2582 C CA . PHE B 2 3 ? -52.239 30.360 -48.264 1.00 32.13 ? 332 PHE B CA 1 ATOM 2583 C C . PHE B 2 3 ? -51.448 29.792 -49.445 1.00 29.70 ? 332 PHE B C 1 ATOM 2584 O O . PHE B 2 3 ? -51.723 30.116 -50.588 1.00 37.04 ? 332 PHE B O 1 ATOM 2585 C CB . PHE B 2 3 ? -51.909 31.835 -48.032 1.00 29.16 ? 332 PHE B CB 1 ATOM 2586 C CG . PHE B 2 3 ? -52.904 32.540 -47.137 1.00 29.65 ? 332 PHE B CG 1 ATOM 2587 C CD1 . PHE B 2 3 ? -52.716 32.585 -45.760 1.00 25.88 ? 332 PHE B CD1 1 ATOM 2588 C CD2 . PHE B 2 3 ? -54.035 33.138 -47.672 1.00 28.40 ? 332 PHE B CD2 1 ATOM 2589 C CE1 . PHE B 2 3 ? -53.623 33.224 -44.940 1.00 24.84 ? 332 PHE B CE1 1 ATOM 2590 C CE2 . PHE B 2 3 ? -54.951 33.779 -46.856 1.00 27.65 ? 332 PHE B CE2 1 ATOM 2591 C CZ . PHE B 2 3 ? -54.747 33.825 -45.489 1.00 26.36 ? 332 PHE B CZ 1 ATOM 2592 N N . GLY B 2 4 ? -50.485 28.924 -49.164 1.00 33.01 ? 333 GLY B N 1 ATOM 2593 C CA . GLY B 2 4 ? -49.920 28.076 -50.194 1.00 30.07 ? 333 GLY B CA 1 ATOM 2594 C C . GLY B 2 4 ? -48.734 28.628 -50.957 1.00 32.93 ? 333 GLY B C 1 ATOM 2595 O O . GLY B 2 4 ? -48.266 27.999 -51.907 1.00 30.11 ? 333 GLY B O 1 ATOM 2596 N N . ALA B 2 5 ? -48.238 29.789 -50.540 1.00 29.11 ? 334 ALA B N 1 ATOM 2597 C CA . ALA B 2 5 ? -47.116 30.417 -51.224 1.00 24.32 ? 334 ALA B CA 1 ATOM 2598 C C . ALA B 2 5 ? -45.771 30.059 -50.575 1.00 28.92 ? 334 ALA B C 1 ATOM 2599 O O . ALA B 2 5 ? -44.922 29.454 -51.218 1.00 30.20 ? 334 ALA B O 1 ATOM 2600 C CB . ALA B 2 5 ? -47.307 31.925 -51.273 1.00 25.02 ? 334 ALA B CB 1 ATOM 2601 N N . ILE B 2 6 ? -45.571 30.424 -49.312 1.00 26.22 ? 335 ILE B N 1 ATOM 2602 C CA . ILE B 2 6 ? -44.296 30.145 -48.652 1.00 29.83 ? 335 ILE B CA 1 ATOM 2603 C C . ILE B 2 6 ? -44.065 28.641 -48.473 1.00 31.63 ? 335 ILE B C 1 ATOM 2604 O O . ILE B 2 6 ? -44.890 27.943 -47.882 1.00 30.43 ? 335 ILE B O 1 ATOM 2605 C CB . ILE B 2 6 ? -44.212 30.863 -47.293 1.00 27.53 ? 335 ILE B CB 1 ATOM 2606 C CG1 . ILE B 2 6 ? -44.150 32.381 -47.532 1.00 29.05 ? 335 ILE B CG1 1 ATOM 2607 C CG2 . ILE B 2 6 ? -43.004 30.376 -46.491 1.00 21.62 ? 335 ILE B CG2 1 ATOM 2608 C CD1 . ILE B 2 6 ? -44.147 33.218 -46.263 1.00 28.70 ? 335 ILE B CD1 1 ATOM 2609 N N . ALA B 2 7 ? -42.934 28.157 -48.985 1.00 31.13 ? 336 ALA B N 1 ATOM 2610 C CA . ALA B 2 7 ? -42.664 26.715 -49.086 1.00 34.60 ? 336 ALA B CA 1 ATOM 2611 C C . ALA B 2 7 ? -43.867 26.007 -49.705 1.00 33.99 ? 336 ALA B C 1 ATOM 2612 O O . ALA B 2 7 ? -44.296 24.953 -49.241 1.00 33.07 ? 336 ALA B O 1 ATOM 2613 C CB . ALA B 2 7 ? -42.322 26.111 -47.723 1.00 25.02 ? 336 ALA B CB 1 ATOM 2614 N N . GLY B 2 8 ? -44.410 26.628 -50.747 1.00 36.61 ? 337 GLY B N 1 ATOM 2615 C CA . GLY B 2 8 ? -45.530 26.103 -51.499 1.00 32.99 ? 337 GLY B CA 1 ATOM 2616 C C . GLY B 2 8 ? -45.192 26.248 -52.968 1.00 38.72 ? 337 GLY B C 1 ATOM 2617 O O . GLY B 2 8 ? -44.205 25.679 -53.434 1.00 42.39 ? 337 GLY B O 1 ATOM 2618 N N . PHE B 2 9 ? -45.977 27.023 -53.706 1.00 32.05 ? 338 PHE B N 1 ATOM 2619 C CA . PHE B 2 9 ? -45.737 27.117 -55.135 1.00 33.54 ? 338 PHE B CA 1 ATOM 2620 C C . PHE B 2 9 ? -44.507 27.996 -55.390 1.00 36.06 ? 338 PHE B C 1 ATOM 2621 O O . PHE B 2 9 ? -43.911 27.946 -56.459 1.00 39.14 ? 338 PHE B O 1 ATOM 2622 C CB . PHE B 2 9 ? -46.992 27.613 -55.887 1.00 28.48 ? 338 PHE B CB 1 ATOM 2623 C CG . PHE B 2 9 ? -47.365 29.044 -55.624 1.00 34.93 ? 338 PHE B CG 1 ATOM 2624 C CD1 . PHE B 2 9 ? -46.857 30.067 -56.416 1.00 32.39 ? 338 PHE B CD1 1 ATOM 2625 C CD2 . PHE B 2 9 ? -48.265 29.366 -54.619 1.00 33.54 ? 338 PHE B CD2 1 ATOM 2626 C CE1 . PHE B 2 9 ? -47.217 31.392 -56.184 1.00 32.17 ? 338 PHE B CE1 1 ATOM 2627 C CE2 . PHE B 2 9 ? -48.628 30.690 -54.381 1.00 30.53 ? 338 PHE B CE2 1 ATOM 2628 C CZ . PHE B 2 9 ? -48.104 31.701 -55.159 1.00 29.66 ? 338 PHE B CZ 1 ATOM 2629 N N . ILE B 2 10 ? -44.116 28.777 -54.391 1.00 31.93 ? 339 ILE B N 1 ATOM 2630 C CA . ILE B 2 10 ? -42.792 29.385 -54.373 1.00 30.54 ? 339 ILE B CA 1 ATOM 2631 C C . ILE B 2 10 ? -41.977 28.584 -53.363 1.00 34.32 ? 339 ILE B C 1 ATOM 2632 O O . ILE B 2 10 ? -42.071 28.813 -52.161 1.00 32.80 ? 339 ILE B O 1 ATOM 2633 C CB . ILE B 2 10 ? -42.842 30.878 -54.008 1.00 30.74 ? 339 ILE B CB 1 ATOM 2634 C CG1 . ILE B 2 10 ? -43.756 31.619 -54.986 1.00 29.56 ? 339 ILE B CG1 1 ATOM 2635 C CG2 . ILE B 2 10 ? -41.455 31.488 -54.041 1.00 29.27 ? 339 ILE B CG2 1 ATOM 2636 C CD1 . ILE B 2 10 ? -44.138 33.010 -54.551 1.00 26.72 ? 339 ILE B CD1 1 ATOM 2637 N N . GLU B 2 11 ? -41.189 27.634 -53.865 1.00 49.52 ? 340 GLU B N 1 ATOM 2638 C CA . GLU B 2 11 ? -40.620 26.560 -53.046 1.00 44.92 ? 340 GLU B CA 1 ATOM 2639 C C . GLU B 2 11 ? -39.641 27.007 -51.973 1.00 43.90 ? 340 GLU B C 1 ATOM 2640 O O . GLU B 2 11 ? -39.535 26.364 -50.927 1.00 49.45 ? 340 GLU B O 1 ATOM 2641 C CB . GLU B 2 11 ? -39.920 25.530 -53.936 1.00 55.64 ? 340 GLU B CB 1 ATOM 2642 C CG . GLU B 2 11 ? -40.852 24.715 -54.817 1.00 65.41 ? 340 GLU B CG 1 ATOM 2643 C CD . GLU B 2 11 ? -40.112 23.688 -55.670 1.00 83.91 ? 340 GLU B CD 1 ATOM 2644 O OE1 . GLU B 2 11 ? -39.234 24.090 -56.471 1.00 79.82 ? 340 GLU B OE1 1 ATOM 2645 O OE2 . GLU B 2 11 ? -40.412 22.479 -55.538 1.00 88.35 ? 340 GLU B OE2 1 ATOM 2646 N N . GLY B 2 12 ? -38.914 28.089 -52.228 1.00 37.25 ? 341 GLY B N 1 ATOM 2647 C CA . GLY B 2 12 ? -37.876 28.515 -51.309 1.00 31.14 ? 341 GLY B CA 1 ATOM 2648 C C . GLY B 2 12 ? -37.720 30.014 -51.183 1.00 30.74 ? 341 GLY B C 1 ATOM 2649 O O . GLY B 2 12 ? -38.255 30.787 -51.976 1.00 28.14 ? 341 GLY B O 1 ATOM 2650 N N . GLY B 2 13 ? -36.972 30.422 -50.165 1.00 29.69 ? 342 GLY B N 1 ATOM 2651 C CA . GLY B 2 13 ? -36.660 31.818 -49.961 1.00 28.46 ? 342 GLY B CA 1 ATOM 2652 C C . GLY B 2 13 ? -35.413 32.249 -50.708 1.00 33.46 ? 342 GLY B C 1 ATOM 2653 O O . GLY B 2 13 ? -34.715 31.438 -51.327 1.00 33.08 ? 342 GLY B O 1 ATOM 2654 N N . TRP B 2 14 ? -35.150 33.550 -50.641 1.00 28.35 ? 343 TRP B N 1 ATOM 2655 C CA . TRP B 2 14 ? -34.026 34.179 -51.310 1.00 27.23 ? 343 TRP B CA 1 ATOM 2656 C C . TRP B 2 14 ? -33.055 34.751 -50.283 1.00 33.25 ? 343 TRP B C 1 ATOM 2657 O O . TRP B 2 14 ? -33.325 35.808 -49.709 1.00 31.61 ? 343 TRP B O 1 ATOM 2658 C CB . TRP B 2 14 ? -34.517 35.300 -52.223 1.00 24.86 ? 343 TRP B CB 1 ATOM 2659 C CG . TRP B 2 14 ? -35.314 34.855 -53.391 1.00 28.19 ? 343 TRP B CG 1 ATOM 2660 C CD1 . TRP B 2 14 ? -35.291 33.626 -53.986 1.00 28.12 ? 343 TRP B CD1 1 ATOM 2661 C CD2 . TRP B 2 14 ? -36.259 35.642 -54.130 1.00 26.95 ? 343 TRP B CD2 1 ATOM 2662 N NE1 . TRP B 2 14 ? -36.159 33.604 -55.055 1.00 29.56 ? 343 TRP B NE1 1 ATOM 2663 C CE2 . TRP B 2 14 ? -36.764 34.828 -55.162 1.00 25.02 ? 343 TRP B CE2 1 ATOM 2664 C CE3 . TRP B 2 14 ? -36.726 36.954 -54.016 1.00 26.98 ? 343 TRP B CE3 1 ATOM 2665 C CZ2 . TRP B 2 14 ? -37.711 35.281 -56.065 1.00 26.45 ? 343 TRP B CZ2 1 ATOM 2666 C CZ3 . TRP B 2 14 ? -37.656 37.404 -54.925 1.00 26.29 ? 343 TRP B CZ3 1 ATOM 2667 C CH2 . TRP B 2 14 ? -38.140 36.568 -55.936 1.00 26.73 ? 343 TRP B CH2 1 ATOM 2668 N N . THR B 2 15 ? -31.935 34.070 -50.045 1.00 36.24 ? 344 THR B N 1 ATOM 2669 C CA . THR B 2 15 ? -30.909 34.607 -49.147 1.00 38.64 ? 344 THR B CA 1 ATOM 2670 C C . THR B 2 15 ? -30.278 35.860 -49.749 1.00 38.70 ? 344 THR B C 1 ATOM 2671 O O . THR B 2 15 ? -29.631 36.633 -49.044 1.00 42.02 ? 344 THR B O 1 ATOM 2672 C CB . THR B 2 15 ? -29.794 33.584 -48.838 1.00 36.97 ? 344 THR B CB 1 ATOM 2673 O OG1 . THR B 2 15 ? -29.251 33.077 -50.064 1.00 42.61 ? 344 THR B OG1 1 ATOM 2674 C CG2 . THR B 2 15 ? -30.338 32.423 -48.002 1.00 32.72 ? 344 THR B CG2 1 ATOM 2675 N N . GLY B 2 16 ? -30.497 36.065 -51.047 1.00 37.73 ? 345 GLY B N 1 ATOM 2676 C CA . GLY B 2 16 ? -29.936 37.196 -51.764 1.00 36.76 ? 345 GLY B CA 1 ATOM 2677 C C . GLY B 2 16 ? -30.697 38.489 -51.565 1.00 40.23 ? 345 GLY B C 1 ATOM 2678 O O . GLY B 2 16 ? -30.163 39.571 -51.800 1.00 47.14 ? 345 GLY B O 1 ATOM 2679 N N . MET B 2 17 ? -31.951 38.384 -51.141 1.00 40.57 ? 346 MET B N 1 ATOM 2680 C CA . MET B 2 17 ? -32.749 39.572 -50.850 1.00 39.54 ? 346 MET B CA 1 ATOM 2681 C C . MET B 2 17 ? -32.640 39.870 -49.365 1.00 43.65 ? 346 MET B C 1 ATOM 2682 O O . MET B 2 17 ? -33.409 39.351 -48.553 1.00 39.78 ? 346 MET B O 1 ATOM 2683 C CB . MET B 2 17 ? -34.209 39.379 -51.267 1.00 34.72 ? 346 MET B CB 1 ATOM 2684 C CG . MET B 2 17 ? -35.072 40.602 -51.067 1.00 33.82 ? 346 MET B CG 1 ATOM 2685 S SD . MET B 2 17 ? -36.749 40.352 -51.676 1.00 43.66 ? 346 MET B SD 1 ATOM 2686 C CE . MET B 2 17 ? -37.377 39.217 -50.445 1.00 28.99 ? 346 MET B CE 1 ATOM 2687 N N . ILE B 2 18 ? -31.671 40.710 -49.019 1.00 46.56 ? 347 ILE B N 1 ATOM 2688 C CA . ILE B 2 18 ? -31.293 40.912 -47.628 1.00 43.87 ? 347 ILE B CA 1 ATOM 2689 C C . ILE B 2 18 ? -31.975 42.125 -47.021 1.00 43.74 ? 347 ILE B C 1 ATOM 2690 O O . ILE B 2 18 ? -31.975 42.297 -45.803 1.00 49.72 ? 347 ILE B O 1 ATOM 2691 C CB . ILE B 2 18 ? -29.764 41.083 -47.482 1.00 46.95 ? 347 ILE B CB 1 ATOM 2692 C CG1 . ILE B 2 18 ? -29.311 42.385 -48.154 1.00 49.61 ? 347 ILE B CG1 1 ATOM 2693 C CG2 . ILE B 2 18 ? -29.029 39.878 -48.075 1.00 43.28 ? 347 ILE B CG2 1 ATOM 2694 C CD1 . ILE B 2 18 ? -27.886 42.775 -47.848 1.00 47.51 ? 347 ILE B CD1 1 ATOM 2695 N N . ASP B 2 19 ? -32.568 42.955 -47.869 1.00 51.17 ? 348 ASP B N 1 ATOM 2696 C CA . ASP B 2 19 ? -33.081 44.246 -47.427 1.00 54.17 ? 348 ASP B CA 1 ATOM 2697 C C . ASP B 2 19 ? -34.583 44.249 -47.134 1.00 57.50 ? 348 ASP B C 1 ATOM 2698 O O . ASP B 2 19 ? -35.175 45.316 -47.029 1.00 61.48 ? 348 ASP B O 1 ATOM 2699 C CB . ASP B 2 19 ? -32.766 45.334 -48.471 1.00 57.02 ? 348 ASP B CB 1 ATOM 2700 C CG . ASP B 2 19 ? -33.280 44.993 -49.877 1.00 65.12 ? 348 ASP B CG 1 ATOM 2701 O OD1 . ASP B 2 19 ? -33.380 43.794 -50.238 1.00 58.10 ? 348 ASP B OD1 1 ATOM 2702 O OD2 . ASP B 2 19 ? -33.588 45.948 -50.630 1.00 69.87 ? 348 ASP B OD2 1 ATOM 2703 N N . GLY B 2 20 ? -35.204 43.077 -47.003 1.00 44.32 ? 349 GLY B N 1 ATOM 2704 C CA . GLY B 2 20 ? -36.622 43.020 -46.676 1.00 36.58 ? 349 GLY B CA 1 ATOM 2705 C C . GLY B 2 20 ? -37.246 41.638 -46.631 1.00 35.42 ? 349 GLY B C 1 ATOM 2706 O O . GLY B 2 20 ? -36.606 40.653 -46.969 1.00 40.29 ? 349 GLY B O 1 ATOM 2707 N N . TRP B 2 21 ? -38.511 41.568 -46.226 1.00 36.02 ? 350 TRP B N 1 ATOM 2708 C CA . TRP B 2 21 ? -39.212 40.288 -46.079 1.00 33.06 ? 350 TRP B CA 1 ATOM 2709 C C . TRP B 2 21 ? -39.790 39.735 -47.386 1.00 32.08 ? 350 TRP B C 1 ATOM 2710 O O . TRP B 2 21 ? -39.645 38.546 -47.673 1.00 29.69 ? 350 TRP B O 1 ATOM 2711 C CB . TRP B 2 21 ? -40.339 40.418 -45.050 1.00 27.99 ? 350 TRP B CB 1 ATOM 2712 C CG . TRP B 2 21 ? -39.887 40.217 -43.646 1.00 27.28 ? 350 TRP B CG 1 ATOM 2713 C CD1 . TRP B 2 21 ? -38.751 39.580 -43.235 1.00 26.96 ? 350 TRP B CD1 1 ATOM 2714 C CD2 . TRP B 2 21 ? -40.557 40.658 -42.459 1.00 25.14 ? 350 TRP B CD2 1 ATOM 2715 N NE1 . TRP B 2 21 ? -38.672 39.598 -41.860 1.00 32.07 ? 350 TRP B NE1 1 ATOM 2716 C CE2 . TRP B 2 21 ? -39.768 40.253 -41.361 1.00 27.48 ? 350 TRP B CE2 1 ATOM 2717 C CE3 . TRP B 2 21 ? -41.745 41.353 -42.218 1.00 22.78 ? 350 TRP B CE3 1 ATOM 2718 C CZ2 . TRP B 2 21 ? -40.129 40.521 -40.046 1.00 22.35 ? 350 TRP B CZ2 1 ATOM 2719 C CZ3 . TRP B 2 21 ? -42.101 41.619 -40.912 1.00 27.24 ? 350 TRP B CZ3 1 ATOM 2720 C CH2 . TRP B 2 21 ? -41.293 41.206 -39.841 1.00 25.49 ? 350 TRP B CH2 1 ATOM 2721 N N . TYR B 2 22 ? -40.464 40.586 -48.156 1.00 28.06 ? 351 TYR B N 1 ATOM 2722 C CA . TYR B 2 22 ? -41.046 40.169 -49.433 1.00 29.69 ? 351 TYR B CA 1 ATOM 2723 C C . TYR B 2 22 ? -40.495 41.033 -50.550 1.00 33.84 ? 351 TYR B C 1 ATOM 2724 O O . TYR B 2 22 ? -40.203 42.211 -50.336 1.00 37.07 ? 351 TYR B O 1 ATOM 2725 C CB . TYR B 2 22 ? -42.575 40.280 -49.419 1.00 29.68 ? 351 TYR B CB 1 ATOM 2726 C CG . TYR B 2 22 ? -43.211 40.120 -48.056 1.00 30.17 ? 351 TYR B CG 1 ATOM 2727 C CD1 . TYR B 2 22 ? -43.153 38.911 -47.378 1.00 26.44 ? 351 TYR B CD1 1 ATOM 2728 C CD2 . TYR B 2 22 ? -43.878 41.179 -47.452 1.00 29.39 ? 351 TYR B CD2 1 ATOM 2729 C CE1 . TYR B 2 22 ? -43.731 38.761 -46.135 1.00 25.76 ? 351 TYR B CE1 1 ATOM 2730 C CE2 . TYR B 2 22 ? -44.461 41.039 -46.205 1.00 26.06 ? 351 TYR B CE2 1 ATOM 2731 C CZ . TYR B 2 22 ? -44.388 39.827 -45.553 1.00 26.31 ? 351 TYR B CZ 1 ATOM 2732 O OH . TYR B 2 22 ? -44.977 39.677 -44.319 1.00 23.65 ? 351 TYR B OH 1 ATOM 2733 N N . GLY B 2 23 ? -40.362 40.474 -51.748 1.00 27.03 ? 352 GLY B N 1 ATOM 2734 C CA . GLY B 2 23 ? -39.930 41.292 -52.864 1.00 26.30 ? 352 GLY B CA 1 ATOM 2735 C C . GLY B 2 23 ? -39.790 40.582 -54.183 1.00 25.09 ? 352 GLY B C 1 ATOM 2736 O O . GLY B 2 23 ? -40.474 39.604 -54.452 1.00 28.66 ? 352 GLY B O 1 ATOM 2737 N N . TYR B 2 24 ? -38.874 41.073 -55.008 1.00 32.89 ? 353 TYR B N 1 ATOM 2738 C CA . TYR B 2 24 ? -38.800 40.646 -56.397 1.00 30.02 ? 353 TYR B CA 1 ATOM 2739 C C . TYR B 2 24 ? -37.403 40.245 -56.848 1.00 32.81 ? 353 TYR B C 1 ATOM 2740 O O . TYR B 2 24 ? -36.401 40.702 -56.302 1.00 37.48 ? 353 TYR B O 1 ATOM 2741 C CB . TYR B 2 24 ? -39.296 41.762 -57.319 1.00 32.61 ? 353 TYR B CB 1 ATOM 2742 C CG . TYR B 2 24 ? -40.540 42.498 -56.877 1.00 28.35 ? 353 TYR B CG 1 ATOM 2743 C CD1 . TYR B 2 24 ? -40.455 43.606 -56.048 1.00 33.17 ? 353 TYR B CD1 1 ATOM 2744 C CD2 . TYR B 2 24 ? -41.794 42.115 -57.326 1.00 32.94 ? 353 TYR B CD2 1 ATOM 2745 C CE1 . TYR B 2 24 ? -41.588 44.299 -55.658 1.00 31.77 ? 353 TYR B CE1 1 ATOM 2746 C CE2 . TYR B 2 24 ? -42.934 42.805 -56.947 1.00 30.42 ? 353 TYR B CE2 1 ATOM 2747 C CZ . TYR B 2 24 ? -42.825 43.895 -56.118 1.00 32.47 ? 353 TYR B CZ 1 ATOM 2748 O OH . TYR B 2 24 ? -43.954 44.581 -55.731 1.00 37.50 ? 353 TYR B OH 1 ATOM 2749 N N . HIS B 2 25 ? -37.356 39.390 -57.863 1.00 34.95 ? 354 HIS B N 1 ATOM 2750 C CA . HIS B 2 25 ? -36.144 39.148 -58.636 1.00 33.54 ? 354 HIS B CA 1 ATOM 2751 C C . HIS B 2 25 ? -36.472 39.413 -60.093 1.00 36.44 ? 354 HIS B C 1 ATOM 2752 O O . HIS B 2 25 ? -37.379 38.797 -60.647 1.00 36.92 ? 354 HIS B O 1 ATOM 2753 C CB . HIS B 2 25 ? -35.635 37.720 -58.450 1.00 33.46 ? 354 HIS B CB 1 ATOM 2754 C CG . HIS B 2 25 ? -34.381 37.416 -59.214 1.00 39.58 ? 354 HIS B CG 1 ATOM 2755 N ND1 . HIS B 2 25 ? -33.125 37.739 -58.745 1.00 40.88 ? 354 HIS B ND1 1 ATOM 2756 C CD2 . HIS B 2 25 ? -34.190 36.806 -60.409 1.00 40.13 ? 354 HIS B CD2 1 ATOM 2757 C CE1 . HIS B 2 25 ? -32.215 37.346 -59.619 1.00 39.02 ? 354 HIS B CE1 1 ATOM 2758 N NE2 . HIS B 2 25 ? -32.835 36.778 -60.637 1.00 41.19 ? 354 HIS B NE2 1 ATOM 2759 N N . HIS B 2 26 ? -35.755 40.345 -60.708 1.00 38.08 ? 355 HIS B N 1 ATOM 2760 C CA . HIS B 2 26 ? -35.992 40.666 -62.109 1.00 35.50 ? 355 HIS B CA 1 ATOM 2761 C C . HIS B 2 26 ? -34.798 40.263 -62.952 1.00 39.33 ? 355 HIS B C 1 ATOM 2762 O O . HIS B 2 26 ? -33.672 40.198 -62.471 1.00 38.72 ? 355 HIS B O 1 ATOM 2763 C CB . HIS B 2 26 ? -36.276 42.152 -62.294 1.00 33.83 ? 355 HIS B CB 1 ATOM 2764 C CG . HIS B 2 26 ? -35.050 43.009 -62.228 1.00 44.65 ? 355 HIS B CG 1 ATOM 2765 N ND1 . HIS B 2 26 ? -34.647 43.646 -61.074 1.00 43.12 ? 355 HIS B ND1 1 ATOM 2766 C CD2 . HIS B 2 26 ? -34.131 43.324 -63.173 1.00 44.26 ? 355 HIS B CD2 1 ATOM 2767 C CE1 . HIS B 2 26 ? -33.533 44.317 -61.311 1.00 49.53 ? 355 HIS B CE1 1 ATOM 2768 N NE2 . HIS B 2 26 ? -33.199 44.139 -62.576 1.00 48.49 ? 355 HIS B NE2 1 ATOM 2769 N N . GLU B 2 27 ? -35.049 40.016 -64.226 1.00 45.08 ? 356 GLU B N 1 ATOM 2770 C CA . GLU B 2 27 ? -33.988 39.641 -65.134 1.00 50.20 ? 356 GLU B CA 1 ATOM 2771 C C . GLU B 2 27 ? -34.273 40.180 -66.533 1.00 46.99 ? 356 GLU B C 1 ATOM 2772 O O . GLU B 2 27 ? -35.207 39.736 -67.191 1.00 47.87 ? 356 GLU B O 1 ATOM 2773 C CB . GLU B 2 27 ? -33.840 38.123 -65.143 1.00 50.56 ? 356 GLU B CB 1 ATOM 2774 C CG . GLU B 2 27 ? -32.685 37.595 -65.959 1.00 62.56 ? 356 GLU B CG 1 ATOM 2775 C CD . GLU B 2 27 ? -32.602 36.084 -65.890 1.00 72.84 ? 356 GLU B CD 1 ATOM 2776 O OE1 . GLU B 2 27 ? -33.055 35.519 -64.868 1.00 67.79 ? 356 GLU B OE1 1 ATOM 2777 O OE2 . GLU B 2 27 ? -32.102 35.465 -66.856 1.00 79.45 ? 356 GLU B OE2 1 ATOM 2778 N N . ASN B 2 28 ? -33.482 41.158 -66.968 1.00 40.26 ? 357 ASN B N 1 ATOM 2779 C CA . ASN B 2 28 ? -33.610 41.706 -68.317 1.00 40.11 ? 357 ASN B CA 1 ATOM 2780 C C . ASN B 2 28 ? -32.240 42.003 -68.949 1.00 41.09 ? 357 ASN B C 1 ATOM 2781 O O . ASN B 2 28 ? -31.215 41.497 -68.481 1.00 44.86 ? 357 ASN B O 1 ATOM 2782 C CB . ASN B 2 28 ? -34.496 42.958 -68.304 1.00 32.89 ? 357 ASN B CB 1 ATOM 2783 C CG . ASN B 2 28 ? -33.927 44.082 -67.473 1.00 33.95 ? 357 ASN B CG 1 ATOM 2784 O OD1 . ASN B 2 28 ? -32.791 44.025 -67.012 1.00 40.26 ? 357 ASN B OD1 1 ATOM 2785 N ND2 . ASN B 2 28 ? -34.715 45.128 -67.291 1.00 36.37 ? 357 ASN B ND2 1 ATOM 2786 N N . SER B 2 29 ? -32.220 42.814 -70.006 1.00 44.38 ? 358 SER B N 1 ATOM 2787 C CA . SER B 2 29 ? -30.969 43.125 -70.711 1.00 51.33 ? 358 SER B CA 1 ATOM 2788 C C . SER B 2 29 ? -29.922 43.775 -69.803 1.00 52.26 ? 358 SER B C 1 ATOM 2789 O O . SER B 2 29 ? -28.722 43.524 -69.948 1.00 51.12 ? 358 SER B O 1 ATOM 2790 C CB . SER B 2 29 ? -31.237 44.034 -71.913 1.00 48.16 ? 358 SER B CB 1 ATOM 2791 O OG . SER B 2 29 ? -32.054 43.378 -72.863 1.00 51.03 ? 358 SER B OG 1 ATOM 2792 N N . GLN B 2 30 ? -30.375 44.596 -68.859 1.00 40.41 ? 359 GLN B N 1 ATOM 2793 C CA . GLN B 2 30 ? -29.460 45.255 -67.940 1.00 35.65 ? 359 GLN B CA 1 ATOM 2794 C C . GLN B 2 30 ? -28.973 44.308 -66.845 1.00 39.15 ? 359 GLN B C 1 ATOM 2795 O O . GLN B 2 30 ? -28.146 44.689 -66.016 1.00 40.12 ? 359 GLN B O 1 ATOM 2796 C CB . GLN B 2 30 ? -30.120 46.485 -67.321 1.00 37.33 ? 359 GLN B CB 1 ATOM 2797 C CG . GLN B 2 30 ? -30.024 47.760 -68.157 1.00 39.89 ? 359 GLN B CG 1 ATOM 2798 C CD . GLN B 2 30 ? -30.405 47.553 -69.619 1.00 44.09 ? 359 GLN B CD 1 ATOM 2799 O OE1 . GLN B 2 30 ? -29.552 47.256 -70.461 1.00 39.00 ? 359 GLN B OE1 1 ATOM 2800 N NE2 . GLN B 2 30 ? -31.689 47.710 -69.926 1.00 42.00 ? 359 GLN B NE2 1 ATOM 2801 N N . GLY B 2 31 ? -29.471 43.075 -66.841 1.00 38.87 ? 360 GLY B N 1 ATOM 2802 C CA . GLY B 2 31 ? -29.024 42.091 -65.867 1.00 37.42 ? 360 GLY B CA 1 ATOM 2803 C C . GLY B 2 31 ? -30.053 41.634 -64.840 1.00 39.73 ? 360 GLY B C 1 ATOM 2804 O O . GLY B 2 31 ? -31.261 41.694 -65.085 1.00 43.07 ? 360 GLY B O 1 ATOM 2805 N N . SER B 2 32 ? -29.557 41.188 -63.683 1.00 43.63 ? 361 SER B N 1 ATOM 2806 C CA . SER B 2 32 ? -30.363 40.590 -62.616 1.00 31.69 ? 361 SER B CA 1 ATOM 2807 C C . SER B 2 32 ? -30.229 41.331 -61.291 1.00 37.96 ? 361 SER B C 1 ATOM 2808 O O . SER B 2 32 ? -29.266 42.060 -61.077 1.00 42.21 ? 361 SER B O 1 ATOM 2809 C CB . SER B 2 32 ? -29.957 39.132 -62.397 1.00 33.65 ? 361 SER B CB 1 ATOM 2810 O OG . SER B 2 32 ? -30.111 38.371 -63.572 1.00 53.59 ? 361 SER B OG 1 ATOM 2811 N N . GLY B 2 33 ? -31.182 41.116 -60.387 1.00 40.06 ? 362 GLY B N 1 ATOM 2812 C CA . GLY B 2 33 ? -31.132 41.731 -59.074 1.00 39.09 ? 362 GLY B CA 1 ATOM 2813 C C . GLY B 2 33 ? -32.319 41.442 -58.170 1.00 41.94 ? 362 GLY B C 1 ATOM 2814 O O . GLY B 2 33 ? -33.407 41.103 -58.633 1.00 40.85 ? 362 GLY B O 1 ATOM 2815 N N . TYR B 2 34 ? -32.098 41.577 -56.866 1.00 45.54 ? 363 TYR B N 1 ATOM 2816 C CA . TYR B 2 34 ? -33.165 41.459 -55.880 1.00 38.94 ? 363 TYR B CA 1 ATOM 2817 C C . TYR B 2 34 ? -33.600 42.831 -55.396 1.00 41.46 ? 363 TYR B C 1 ATOM 2818 O O . TYR B 2 34 ? -32.780 43.732 -55.248 1.00 42.62 ? 363 TYR B O 1 ATOM 2819 C CB . TYR B 2 34 ? -32.719 40.623 -54.684 1.00 34.55 ? 363 TYR B CB 1 ATOM 2820 C CG . TYR B 2 34 ? -32.416 39.180 -55.007 1.00 39.28 ? 363 TYR B CG 1 ATOM 2821 C CD1 . TYR B 2 34 ? -33.427 38.228 -55.038 1.00 36.24 ? 363 TYR B CD1 1 ATOM 2822 C CD2 . TYR B 2 34 ? -31.118 38.765 -55.278 1.00 38.76 ? 363 TYR B CD2 1 ATOM 2823 C CE1 . TYR B 2 34 ? -33.153 36.898 -55.332 1.00 32.70 ? 363 TYR B CE1 1 ATOM 2824 C CE2 . TYR B 2 34 ? -30.836 37.441 -55.574 1.00 36.33 ? 363 TYR B CE2 1 ATOM 2825 C CZ . TYR B 2 34 ? -31.855 36.514 -55.594 1.00 36.33 ? 363 TYR B CZ 1 ATOM 2826 O OH . TYR B 2 34 ? -31.576 35.200 -55.877 1.00 39.81 ? 363 TYR B OH 1 ATOM 2827 N N . ALA B 2 35 ? -34.891 42.993 -55.145 1.00 37.39 ? 364 ALA B N 1 ATOM 2828 C CA . ALA B 2 35 ? -35.365 44.219 -54.530 1.00 35.89 ? 364 ALA B CA 1 ATOM 2829 C C . ALA B 2 35 ? -36.564 43.940 -53.628 1.00 34.24 ? 364 ALA B C 1 ATOM 2830 O O . ALA B 2 35 ? -37.499 43.241 -54.010 1.00 31.35 ? 364 ALA B O 1 ATOM 2831 C CB . ALA B 2 35 ? -35.710 45.240 -55.584 1.00 28.20 ? 364 ALA B CB 1 ATOM 2832 N N . ALA B 2 36 ? -36.521 44.473 -52.415 1.00 39.14 ? 365 ALA B N 1 ATOM 2833 C CA . ALA B 2 36 ? -37.641 44.324 -51.504 1.00 37.08 ? 365 ALA B CA 1 ATOM 2834 C C . ALA B 2 36 ? -38.802 45.178 -51.970 1.00 34.54 ? 365 ALA B C 1 ATOM 2835 O O . ALA B 2 36 ? -38.604 46.270 -52.508 1.00 40.22 ? 365 ALA B O 1 ATOM 2836 C CB . ALA B 2 36 ? -37.240 44.701 -50.085 1.00 40.52 ? 365 ALA B CB 1 ATOM 2837 N N . ASP B 2 37 ? -40.014 44.666 -51.791 1.00 37.19 ? 366 ASP B N 1 ATOM 2838 C CA . ASP B 2 37 ? -41.199 45.503 -51.891 1.00 36.92 ? 366 ASP B CA 1 ATOM 2839 C C . ASP B 2 37 ? -41.348 46.183 -50.546 1.00 35.31 ? 366 ASP B C 1 ATOM 2840 O O . ASP B 2 37 ? -41.651 45.530 -49.553 1.00 37.25 ? 366 ASP B O 1 ATOM 2841 C CB . ASP B 2 37 ? -42.444 44.687 -52.241 1.00 37.65 ? 366 ASP B CB 1 ATOM 2842 C CG . ASP B 2 37 ? -43.645 45.562 -52.526 1.00 39.17 ? 366 ASP B CG 1 ATOM 2843 O OD1 . ASP B 2 37 ? -43.800 46.007 -53.690 1.00 42.71 ? 366 ASP B OD1 1 ATOM 2844 O OD2 . ASP B 2 37 ? -44.438 45.803 -51.588 1.00 41.47 ? 366 ASP B OD2 1 ATOM 2845 N N . ARG B 2 38 ? -41.102 47.486 -50.508 1.00 42.23 ? 367 ARG B N 1 ATOM 2846 C CA . ARG B 2 38 ? -40.989 48.196 -49.242 1.00 48.04 ? 367 ARG B CA 1 ATOM 2847 C C . ARG B 2 38 ? -42.336 48.487 -48.613 1.00 46.32 ? 367 ARG B C 1 ATOM 2848 O O . ARG B 2 38 ? -42.441 48.569 -47.390 1.00 46.57 ? 367 ARG B O 1 ATOM 2849 C CB . ARG B 2 38 ? -40.197 49.502 -49.415 1.00 52.63 ? 367 ARG B CB 1 ATOM 2850 C CG . ARG B 2 38 ? -39.245 49.756 -48.241 1.00 72.13 ? 367 ARG B CG 1 ATOM 2851 C CD . ARG B 2 38 ? -38.470 48.462 -47.973 1.00 80.94 ? 367 ARG B CD 1 ATOM 2852 N NE . ARG B 2 38 ? -37.775 48.386 -46.690 1.00 85.20 ? 367 ARG B NE 1 ATOM 2853 C CZ . ARG B 2 38 ? -37.142 47.292 -46.275 1.00 89.10 ? 367 ARG B CZ 1 ATOM 2854 N NH1 . ARG B 2 38 ? -37.136 46.215 -47.048 1.00 85.70 ? 367 ARG B NH1 1 ATOM 2855 N NH2 . ARG B 2 38 ? -36.524 47.264 -45.098 1.00 87.70 ? 367 ARG B NH2 1 ATOM 2856 N N . GLU B 2 39 ? -43.362 48.626 -49.443 1.00 35.34 ? 368 GLU B N 1 ATOM 2857 C CA . GLU B 2 39 ? -44.707 48.898 -48.957 1.00 37.07 ? 368 GLU B CA 1 ATOM 2858 C C . GLU B 2 39 ? -45.270 47.711 -48.157 1.00 38.72 ? 368 GLU B C 1 ATOM 2859 O O . GLU B 2 39 ? -45.765 47.876 -47.041 1.00 35.09 ? 368 GLU B O 1 ATOM 2860 C CB . GLU B 2 39 ? -45.631 49.236 -50.130 1.00 38.77 ? 368 GLU B CB 1 ATOM 2861 C CG . GLU B 2 39 ? -47.075 49.523 -49.747 1.00 50.20 ? 368 GLU B CG 1 ATOM 2862 C CD . GLU B 2 39 ? -47.999 49.667 -50.954 1.00 66.84 ? 368 GLU B CD 1 ATOM 2863 O OE1 . GLU B 2 39 ? -47.500 49.681 -52.105 1.00 70.16 ? 368 GLU B OE1 1 ATOM 2864 O OE2 . GLU B 2 39 ? -49.232 49.757 -50.748 1.00 61.18 ? 368 GLU B OE2 1 ATOM 2865 N N . SER B 2 40 ? -45.194 46.512 -48.722 1.00 34.84 ? 369 SER B N 1 ATOM 2866 C CA . SER B 2 40 ? -45.781 45.359 -48.055 1.00 35.43 ? 369 SER B CA 1 ATOM 2867 C C . SER B 2 40 ? -44.885 44.885 -46.910 1.00 34.35 ? 369 SER B C 1 ATOM 2868 O O . SER B 2 40 ? -45.374 44.380 -45.894 1.00 32.53 ? 369 SER B O 1 ATOM 2869 C CB . SER B 2 40 ? -46.036 44.225 -49.047 1.00 31.02 ? 369 SER B CB 1 ATOM 2870 O OG . SER B 2 40 ? -44.815 43.678 -49.510 1.00 38.23 ? 369 SER B OG 1 ATOM 2871 N N . THR B 2 41 ? -43.578 45.059 -47.070 1.00 28.76 ? 370 THR B N 1 ATOM 2872 C CA . THR B 2 41 ? -42.641 44.733 -46.005 1.00 30.63 ? 370 THR B CA 1 ATOM 2873 C C . THR B 2 41 ? -42.853 45.641 -44.793 1.00 30.87 ? 370 THR B C 1 ATOM 2874 O O . THR B 2 41 ? -42.921 45.164 -43.667 1.00 29.07 ? 370 THR B O 1 ATOM 2875 C CB . THR B 2 41 ? -41.178 44.840 -46.480 1.00 31.17 ? 370 THR B CB 1 ATOM 2876 O OG1 . THR B 2 41 ? -40.907 43.789 -47.410 1.00 29.61 ? 370 THR B OG1 1 ATOM 2877 C CG2 . THR B 2 41 ? -40.220 44.706 -45.315 1.00 32.84 ? 370 THR B CG2 1 ATOM 2878 N N . GLN B 2 42 ? -42.970 46.945 -45.031 1.00 31.84 ? 371 GLN B N 1 ATOM 2879 C CA . GLN B 2 42 ? -43.120 47.905 -43.949 1.00 29.43 ? 371 GLN B CA 1 ATOM 2880 C C . GLN B 2 42 ? -44.472 47.744 -43.254 1.00 33.67 ? 371 GLN B C 1 ATOM 2881 O O . GLN B 2 42 ? -44.569 47.854 -42.024 1.00 32.02 ? 371 GLN B O 1 ATOM 2882 C CB . GLN B 2 42 ? -42.965 49.338 -44.468 1.00 27.20 ? 371 GLN B CB 1 ATOM 2883 C CG . GLN B 2 42 ? -42.877 50.392 -43.368 1.00 29.39 ? 371 GLN B CG 1 ATOM 2884 C CD . GLN B 2 42 ? -41.710 50.142 -42.425 1.00 37.08 ? 371 GLN B CD 1 ATOM 2885 O OE1 . GLN B 2 42 ? -40.574 49.946 -42.861 1.00 42.90 ? 371 GLN B OE1 1 ATOM 2886 N NE2 . GLN B 2 42 ? -41.990 50.130 -41.128 1.00 35.99 ? 371 GLN B NE2 1 ATOM 2887 N N . LYS B 2 43 ? -45.511 47.499 -44.043 1.00 26.50 ? 372 LYS B N 1 ATOM 2888 C CA . LYS B 2 43 ? -46.834 47.262 -43.497 1.00 25.89 ? 372 LYS B CA 1 ATOM 2889 C C . LYS B 2 43 ? -46.820 46.043 -42.557 1.00 32.37 ? 372 LYS B C 1 ATOM 2890 O O . LYS B 2 43 ? -47.428 46.077 -41.478 1.00 27.05 ? 372 LYS B O 1 ATOM 2891 C CB . LYS B 2 43 ? -47.844 47.071 -44.628 1.00 29.64 ? 372 LYS B CB 1 ATOM 2892 C CG . LYS B 2 43 ? -49.267 46.848 -44.158 1.00 37.89 ? 372 LYS B CG 1 ATOM 2893 C CD . LYS B 2 43 ? -50.230 46.752 -45.327 1.00 40.03 ? 372 LYS B CD 1 ATOM 2894 C CE . LYS B 2 43 ? -51.609 46.306 -44.857 1.00 42.71 ? 372 LYS B CE 1 ATOM 2895 N NZ . LYS B 2 43 ? -52.556 46.136 -45.995 1.00 50.59 ? 372 LYS B NZ 1 ATOM 2896 N N . ALA B 2 44 ? -46.107 44.984 -42.955 1.00 30.46 ? 373 ALA B N 1 ATOM 2897 C CA . ALA B 2 44 ? -45.984 43.787 -42.118 1.00 27.17 ? 373 ALA B CA 1 ATOM 2898 C C . ALA B 2 44 ? -45.165 44.057 -40.869 1.00 31.49 ? 373 ALA B C 1 ATOM 2899 O O . ALA B 2 44 ? -45.506 43.574 -39.780 1.00 35.12 ? 373 ALA B O 1 ATOM 2900 C CB . ALA B 2 44 ? -45.369 42.641 -42.899 1.00 27.79 ? 373 ALA B CB 1 ATOM 2901 N N . ILE B 2 45 ? -44.081 44.815 -41.021 1.00 28.47 ? 374 ILE B N 1 ATOM 2902 C CA . ILE B 2 45 ? -43.251 45.173 -39.882 1.00 26.45 ? 374 ILE B CA 1 ATOM 2903 C C . ILE B 2 45 ? -44.075 45.946 -38.849 1.00 28.58 ? 374 ILE B C 1 ATOM 2904 O O . ILE B 2 45 ? -43.951 45.694 -37.657 1.00 29.65 ? 374 ILE B O 1 ATOM 2905 C CB . ILE B 2 45 ? -42.023 46.006 -40.294 1.00 31.17 ? 374 ILE B CB 1 ATOM 2906 C CG1 . ILE B 2 45 ? -41.038 45.154 -41.099 1.00 31.82 ? 374 ILE B CG1 1 ATOM 2907 C CG2 . ILE B 2 45 ? -41.312 46.564 -39.058 1.00 25.20 ? 374 ILE B CG2 1 ATOM 2908 C CD1 . ILE B 2 45 ? -39.804 45.918 -41.550 1.00 24.37 ? 374 ILE B CD1 1 ATOM 2909 N N . ASP B 2 46 ? -44.930 46.861 -39.305 1.00 27.86 ? 375 ASP B N 1 ATOM 2910 C CA . ASP B 2 46 ? -45.754 47.651 -38.389 1.00 29.95 ? 375 ASP B CA 1 ATOM 2911 C C . ASP B 2 46 ? -46.780 46.776 -37.655 1.00 30.05 ? 375 ASP B C 1 ATOM 2912 O O . ASP B 2 46 ? -46.921 46.872 -36.436 1.00 30.02 ? 375 ASP B O 1 ATOM 2913 C CB . ASP B 2 46 ? -46.466 48.789 -39.128 1.00 27.27 ? 375 ASP B CB 1 ATOM 2914 C CG . ASP B 2 46 ? -45.492 49.794 -39.737 1.00 41.73 ? 375 ASP B CG 1 ATOM 2915 O OD1 . ASP B 2 46 ? -44.347 49.898 -39.238 1.00 38.63 ? 375 ASP B OD1 1 ATOM 2916 O OD2 . ASP B 2 46 ? -45.869 50.485 -40.714 1.00 44.43 ? 375 ASP B OD2 1 ATOM 2917 N N . GLY B 2 47 ? -47.471 45.917 -38.398 1.00 27.11 ? 376 GLY B N 1 ATOM 2918 C CA . GLY B 2 47 ? -48.440 44.999 -37.831 1.00 24.71 ? 376 GLY B CA 1 ATOM 2919 C C . GLY B 2 47 ? -47.849 44.056 -36.795 1.00 28.70 ? 376 GLY B C 1 ATOM 2920 O O . GLY B 2 47 ? -48.389 43.892 -35.702 1.00 29.06 ? 376 GLY B O 1 ATOM 2921 N N . ILE B 2 48 ? -46.723 43.445 -37.130 1.00 30.82 ? 377 ILE B N 1 ATOM 2922 C CA . ILE B 2 48 ? -46.090 42.491 -36.234 1.00 30.40 ? 377 ILE B CA 1 ATOM 2923 C C . ILE B 2 48 ? -45.456 43.170 -35.023 1.00 28.47 ? 377 ILE B C 1 ATOM 2924 O O . ILE B 2 48 ? -45.496 42.622 -33.919 1.00 31.49 ? 377 ILE B O 1 ATOM 2925 C CB . ILE B 2 48 ? -45.059 41.651 -37.006 1.00 32.43 ? 377 ILE B CB 1 ATOM 2926 C CG1 . ILE B 2 48 ? -45.807 40.659 -37.889 1.00 32.89 ? 377 ILE B CG1 1 ATOM 2927 C CG2 . ILE B 2 48 ? -44.132 40.886 -36.077 1.00 28.88 ? 377 ILE B CG2 1 ATOM 2928 C CD1 . ILE B 2 48 ? -44.928 40.005 -38.876 1.00 41.05 ? 377 ILE B CD1 1 ATOM 2929 N N . THR B 2 49 ? -44.905 44.367 -35.221 1.00 24.43 ? 378 THR B N 1 ATOM 2930 C CA . THR B 2 49 ? -44.393 45.176 -34.117 1.00 26.42 ? 378 THR B CA 1 ATOM 2931 C C . THR B 2 49 ? -45.530 45.557 -33.173 1.00 28.11 ? 378 THR B C 1 ATOM 2932 O O . THR B 2 49 ? -45.377 45.559 -31.945 1.00 29.21 ? 378 THR B O 1 ATOM 2933 C CB . THR B 2 49 ? -43.695 46.468 -34.615 1.00 29.81 ? 378 THR B CB 1 ATOM 2934 O OG1 . THR B 2 49 ? -42.536 46.123 -35.376 1.00 27.29 ? 378 THR B OG1 1 ATOM 2935 C CG2 . THR B 2 49 ? -43.271 47.362 -33.433 1.00 24.28 ? 378 THR B CG2 1 ATOM 2936 N N . ASN B 2 50 ? -46.676 45.878 -33.757 1.00 27.75 ? 379 ASN B N 1 ATOM 2937 C CA . ASN B 2 50 ? -47.849 46.186 -32.970 1.00 25.63 ? 379 ASN B CA 1 ATOM 2938 C C . ASN B 2 50 ? -48.317 44.964 -32.176 1.00 28.38 ? 379 ASN B C 1 ATOM 2939 O O . ASN B 2 50 ? -48.730 45.086 -31.025 1.00 27.43 ? 379 ASN B O 1 ATOM 2940 C CB . ASN B 2 50 ? -48.965 46.699 -33.871 1.00 29.54 ? 379 ASN B CB 1 ATOM 2941 C CG . ASN B 2 50 ? -50.045 47.416 -33.097 1.00 36.86 ? 379 ASN B CG 1 ATOM 2942 O OD1 . ASN B 2 50 ? -49.974 48.629 -32.897 1.00 41.27 ? 379 ASN B OD1 1 ATOM 2943 N ND2 . ASN B 2 50 ? -51.052 46.668 -32.647 1.00 31.09 ? 379 ASN B ND2 1 ATOM 2944 N N . LYS B 2 51 ? -48.237 43.787 -32.789 1.00 26.73 ? 380 LYS B N 1 ATOM 2945 C CA . LYS B 2 51 ? -48.683 42.565 -32.136 1.00 27.81 ? 380 LYS B CA 1 ATOM 2946 C C . LYS B 2 51 ? -47.773 42.213 -30.957 1.00 32.34 ? 380 LYS B C 1 ATOM 2947 O O . LYS B 2 51 ? -48.252 41.901 -29.864 1.00 28.08 ? 380 LYS B O 1 ATOM 2948 C CB . LYS B 2 51 ? -48.733 41.406 -33.127 1.00 28.89 ? 380 LYS B CB 1 ATOM 2949 C CG . LYS B 2 51 ? -49.033 40.060 -32.476 1.00 33.67 ? 380 LYS B CG 1 ATOM 2950 C CD . LYS B 2 51 ? -48.753 38.891 -33.413 1.00 31.54 ? 380 LYS B CD 1 ATOM 2951 C CE . LYS B 2 51 ? -49.798 38.807 -34.510 1.00 34.80 ? 380 LYS B CE 1 ATOM 2952 N NZ . LYS B 2 51 ? -49.880 37.440 -35.090 1.00 37.14 ? 380 LYS B NZ 1 ATOM 2953 N N . VAL B 2 52 ? -46.463 42.272 -31.186 1.00 28.08 ? 381 VAL B N 1 ATOM 2954 C CA . VAL B 2 52 ? -45.490 42.047 -30.123 1.00 28.32 ? 381 VAL B CA 1 ATOM 2955 C C . VAL B 2 52 ? -45.726 43.012 -28.956 1.00 28.30 ? 381 VAL B C 1 ATOM 2956 O O . VAL B 2 52 ? -45.825 42.592 -27.808 1.00 29.47 ? 381 VAL B O 1 ATOM 2957 C CB . VAL B 2 52 ? -44.034 42.202 -30.643 1.00 29.17 ? 381 VAL B CB 1 ATOM 2958 C CG1 . VAL B 2 52 ? -43.042 42.228 -29.481 1.00 24.64 ? 381 VAL B CG1 1 ATOM 2959 C CG2 . VAL B 2 52 ? -43.689 41.082 -31.627 1.00 21.82 ? 381 VAL B CG2 1 ATOM 2960 N N . ASN B 2 53 ? -45.833 44.302 -29.257 1.00 29.23 ? 382 ASN B N 1 ATOM 2961 C CA . ASN B 2 53 ? -46.050 45.312 -28.226 1.00 32.36 ? 382 ASN B CA 1 ATOM 2962 C C . ASN B 2 53 ? -47.381 45.160 -27.488 1.00 30.75 ? 382 ASN B C 1 ATOM 2963 O O . ASN B 2 53 ? -47.472 45.468 -26.306 1.00 35.42 ? 382 ASN B O 1 ATOM 2964 C CB . ASN B 2 53 ? -45.954 46.718 -28.832 1.00 30.48 ? 382 ASN B CB 1 ATOM 2965 C CG . ASN B 2 53 ? -44.537 47.062 -29.294 1.00 35.36 ? 382 ASN B CG 1 ATOM 2966 O OD1 . ASN B 2 53 ? -43.563 46.434 -28.870 1.00 35.34 ? 382 ASN B OD1 1 ATOM 2967 N ND2 . ASN B 2 53 ? -44.416 48.084 -30.138 1.00 33.91 ? 382 ASN B ND2 1 ATOM 2968 N N . SER B 2 54 ? -48.410 44.679 -28.173 1.00 30.19 ? 383 SER B N 1 ATOM 2969 C CA . SER B 2 54 ? -49.706 44.500 -27.528 1.00 31.33 ? 383 SER B CA 1 ATOM 2970 C C . SER B 2 54 ? -49.647 43.344 -26.545 1.00 30.54 ? 383 SER B C 1 ATOM 2971 O O . SER B 2 54 ? -50.216 43.411 -25.458 1.00 33.02 ? 383 SER B O 1 ATOM 2972 C CB . SER B 2 54 ? -50.811 44.264 -28.560 1.00 28.78 ? 383 SER B CB 1 ATOM 2973 O OG . SER B 2 54 ? -51.013 45.423 -29.350 1.00 30.07 ? 383 SER B OG 1 ATOM 2974 N N . ILE B 2 55 ? -48.949 42.285 -26.937 1.00 25.40 ? 384 ILE B N 1 ATOM 2975 C CA . ILE B 2 55 ? -48.749 41.134 -26.072 1.00 27.76 ? 384 ILE B CA 1 ATOM 2976 C C . ILE B 2 55 ? -47.935 41.541 -24.845 1.00 28.67 ? 384 ILE B C 1 ATOM 2977 O O . ILE B 2 55 ? -48.277 41.205 -23.717 1.00 29.97 ? 384 ILE B O 1 ATOM 2978 C CB . ILE B 2 55 ? -48.047 39.982 -26.834 1.00 30.40 ? 384 ILE B CB 1 ATOM 2979 C CG1 . ILE B 2 55 ? -48.899 39.539 -28.031 1.00 21.97 ? 384 ILE B CG1 1 ATOM 2980 C CG2 . ILE B 2 55 ? -47.755 38.805 -25.898 1.00 25.40 ? 384 ILE B CG2 1 ATOM 2981 C CD1 . ILE B 2 55 ? -48.216 38.522 -28.938 1.00 24.08 ? 384 ILE B CD1 1 ATOM 2982 N N . ILE B 2 56 ? -46.867 42.291 -25.072 1.00 28.17 ? 385 ILE B N 1 ATOM 2983 C CA . ILE B 2 56 ? -46.031 42.786 -23.990 1.00 25.86 ? 385 ILE B CA 1 ATOM 2984 C C . ILE B 2 56 ? -46.821 43.677 -23.021 1.00 31.75 ? 385 ILE B C 1 ATOM 2985 O O . ILE B 2 56 ? -46.668 43.569 -21.802 1.00 34.61 ? 385 ILE B O 1 ATOM 2986 C CB . ILE B 2 56 ? -44.816 43.541 -24.566 1.00 29.68 ? 385 ILE B CB 1 ATOM 2987 C CG1 . ILE B 2 56 ? -43.778 42.534 -25.085 1.00 26.58 ? 385 ILE B CG1 1 ATOM 2988 C CG2 . ILE B 2 56 ? -44.201 44.484 -23.545 1.00 20.81 ? 385 ILE B CG2 1 ATOM 2989 C CD1 . ILE B 2 56 ? -42.611 43.180 -25.835 1.00 22.68 ? 385 ILE B CD1 1 ATOM 2990 N N . ASN B 2 57 ? -47.687 44.536 -23.549 1.00 35.03 ? 386 ASN B N 1 ATOM 2991 C CA . ASN B 2 57 ? -48.500 45.389 -22.681 1.00 37.19 ? 386 ASN B CA 1 ATOM 2992 C C . ASN B 2 57 ? -49.572 44.640 -21.890 1.00 32.64 ? 386 ASN B C 1 ATOM 2993 O O . ASN B 2 57 ? -49.838 44.994 -20.757 1.00 36.47 ? 386 ASN B O 1 ATOM 2994 C CB . ASN B 2 57 ? -49.166 46.505 -23.496 1.00 40.19 ? 386 ASN B CB 1 ATOM 2995 C CG . ASN B 2 57 ? -48.161 47.505 -24.038 1.00 57.21 ? 386 ASN B CG 1 ATOM 2996 O OD1 . ASN B 2 57 ? -47.019 47.584 -23.560 1.00 56.60 ? 386 ASN B OD1 1 ATOM 2997 N ND2 . ASN B 2 57 ? -48.574 48.276 -25.043 1.00 56.31 ? 386 ASN B ND2 1 ATOM 2998 N N . LYS B 2 58 ? -50.202 43.626 -22.481 1.00 33.70 ? 387 LYS B N 1 ATOM 2999 C CA . LYS B 2 58 ? -51.254 42.887 -21.773 1.00 36.00 ? 387 LYS B CA 1 ATOM 3000 C C . LYS B 2 58 ? -50.665 41.997 -20.693 1.00 34.47 ? 387 LYS B C 1 ATOM 3001 O O . LYS B 2 58 ? -51.362 41.589 -19.768 1.00 35.95 ? 387 LYS B O 1 ATOM 3002 C CB . LYS B 2 58 ? -52.093 42.026 -22.728 1.00 30.20 ? 387 LYS B CB 1 ATOM 3003 C CG . LYS B 2 58 ? -52.802 42.809 -23.805 1.00 31.08 ? 387 LYS B CG 1 ATOM 3004 C CD . LYS B 2 58 ? -53.414 44.057 -23.224 1.00 31.87 ? 387 LYS B CD 1 ATOM 3005 C CE . LYS B 2 58 ? -54.035 44.924 -24.294 1.00 33.26 ? 387 LYS B CE 1 ATOM 3006 N NZ . LYS B 2 58 ? -54.480 46.221 -23.717 1.00 34.81 ? 387 LYS B NZ 1 ATOM 3007 N N . MET B 2 59 ? -49.381 41.693 -20.828 1.00 32.59 ? 388 MET B N 1 ATOM 3008 C CA . MET B 2 59 ? -48.686 40.833 -19.886 1.00 37.20 ? 388 MET B CA 1 ATOM 3009 C C . MET B 2 59 ? -47.907 41.646 -18.862 1.00 36.28 ? 388 MET B C 1 ATOM 3010 O O . MET B 2 59 ? -47.063 41.105 -18.159 1.00 38.51 ? 388 MET B O 1 ATOM 3011 C CB . MET B 2 59 ? -47.741 39.883 -20.634 1.00 33.67 ? 388 MET B CB 1 ATOM 3012 C CG . MET B 2 59 ? -48.443 38.861 -21.503 1.00 24.03 ? 388 MET B CG 1 ATOM 3013 S SD . MET B 2 59 ? -49.250 37.622 -20.487 1.00 39.35 ? 388 MET B SD 1 ATOM 3014 C CE . MET B 2 59 ? -49.690 36.407 -21.723 1.00 27.04 ? 388 MET B CE 1 ATOM 3015 N N . ASN B 2 60 ? -48.197 42.941 -18.777 1.00 46.27 ? 389 ASN B N 1 ATOM 3016 C CA . ASN B 2 60 ? -47.417 43.845 -17.932 1.00 48.09 ? 389 ASN B CA 1 ATOM 3017 C C . ASN B 2 60 ? -48.043 44.054 -16.554 1.00 47.80 ? 389 ASN B C 1 ATOM 3018 O O . ASN B 2 60 ? -47.974 45.140 -15.977 1.00 54.32 ? 389 ASN B O 1 ATOM 3019 C CB . ASN B 2 60 ? -47.222 45.199 -18.637 1.00 50.55 ? 389 ASN B CB 1 ATOM 3020 C CG . ASN B 2 60 ? -46.102 46.036 -18.009 1.00 70.70 ? 389 ASN B CG 1 ATOM 3021 O OD1 . ASN B 2 60 ? -45.078 45.502 -17.571 1.00 71.74 ? 389 ASN B OD1 1 ATOM 3022 N ND2 . ASN B 2 60 ? -46.289 47.353 -17.982 1.00 80.64 ? 389 ASN B ND2 1 ATOM 3023 N N . THR B 2 61 ? -48.670 43.011 -16.035 1.00 35.84 ? 390 THR B N 1 ATOM 3024 C CA . THR B 2 61 ? -49.036 42.979 -14.630 1.00 40.67 ? 390 THR B CA 1 ATOM 3025 C C . THR B 2 61 ? -48.297 41.794 -14.032 1.00 37.37 ? 390 THR B C 1 ATOM 3026 O O . THR B 2 61 ? -47.803 40.937 -14.759 1.00 38.30 ? 390 THR B O 1 ATOM 3027 C CB . THR B 2 61 ? -50.568 42.856 -14.407 1.00 44.04 ? 390 THR B CB 1 ATOM 3028 O OG1 . THR B 2 61 ? -51.061 41.656 -15.019 1.00 37.38 ? 390 THR B OG1 1 ATOM 3029 C CG2 . THR B 2 61 ? -51.301 44.065 -14.978 1.00 33.15 ? 390 THR B CG2 1 ATOM 3030 N N . GLN B 2 62 ? -48.183 41.750 -12.717 1.00 36.85 ? 391 GLN B N 1 ATOM 3031 C CA . GLN B 2 62 ? -47.524 40.612 -12.083 1.00 39.63 ? 391 GLN B CA 1 ATOM 3032 C C . GLN B 2 62 ? -48.304 40.191 -10.859 1.00 37.11 ? 391 GLN B C 1 ATOM 3033 O O . GLN B 2 62 ? -48.688 41.026 -10.036 1.00 37.63 ? 391 GLN B O 1 ATOM 3034 C CB . GLN B 2 62 ? -46.073 40.939 -11.683 1.00 41.40 ? 391 GLN B CB 1 ATOM 3035 C CG . GLN B 2 62 ? -45.107 41.152 -12.839 1.00 36.82 ? 391 GLN B CG 1 ATOM 3036 C CD . GLN B 2 62 ? -45.191 42.562 -13.403 1.00 41.83 ? 391 GLN B CD 1 ATOM 3037 O OE1 . GLN B 2 62 ? -45.423 43.516 -12.663 1.00 41.75 ? 391 GLN B OE1 1 ATOM 3038 N NE2 . GLN B 2 62 ? -45.003 42.698 -14.715 1.00 38.19 ? 391 GLN B NE2 1 ATOM 3039 N N . PHE B 2 63 ? -48.554 38.894 -10.749 1.00 33.79 ? 392 PHE B N 1 ATOM 3040 C CA . PHE B 2 63 ? -49.066 38.356 -9.511 1.00 28.72 ? 392 PHE B CA 1 ATOM 3041 C C . PHE B 2 63 ? -47.910 38.302 -8.512 1.00 33.69 ? 392 PHE B C 1 ATOM 3042 O O . PHE B 2 63 ? -46.816 37.845 -8.843 1.00 36.42 ? 392 PHE B O 1 ATOM 3043 C CB . PHE B 2 63 ? -49.674 36.972 -9.695 1.00 26.45 ? 392 PHE B CB 1 ATOM 3044 C CG . PHE B 2 63 ? -50.013 36.326 -8.401 1.00 28.20 ? 392 PHE B CG 1 ATOM 3045 C CD1 . PHE B 2 63 ? -51.184 36.649 -7.756 1.00 25.96 ? 392 PHE B CD1 1 ATOM 3046 C CD2 . PHE B 2 63 ? -49.121 35.468 -7.781 1.00 27.45 ? 392 PHE B CD2 1 ATOM 3047 C CE1 . PHE B 2 63 ? -51.477 36.101 -6.546 1.00 27.53 ? 392 PHE B CE1 1 ATOM 3048 C CE2 . PHE B 2 63 ? -49.415 34.912 -6.557 1.00 28.61 ? 392 PHE B CE2 1 ATOM 3049 C CZ . PHE B 2 63 ? -50.593 35.225 -5.941 1.00 28.09 ? 392 PHE B CZ 1 ATOM 3050 N N . GLU B 2 64 ? -48.142 38.752 -7.288 1.00 41.95 ? 393 GLU B N 1 ATOM 3051 C CA . GLU B 2 64 ? -47.035 38.861 -6.346 1.00 50.15 ? 393 GLU B CA 1 ATOM 3052 C C . GLU B 2 64 ? -47.169 37.853 -5.213 1.00 42.66 ? 393 GLU B C 1 ATOM 3053 O O . GLU B 2 64 ? -48.031 37.990 -4.343 1.00 45.26 ? 393 GLU B O 1 ATOM 3054 C CB . GLU B 2 64 ? -46.946 40.285 -5.785 1.00 54.58 ? 393 GLU B CB 1 ATOM 3055 C CG . GLU B 2 64 ? -47.106 41.385 -6.848 1.00 60.06 ? 393 GLU B CG 1 ATOM 3056 C CD . GLU B 2 64 ? -45.950 42.380 -6.876 1.00 65.10 ? 393 GLU B CD 1 ATOM 3057 O OE1 . GLU B 2 64 ? -45.028 42.258 -6.044 1.00 65.16 ? 393 GLU B OE1 1 ATOM 3058 O OE2 . GLU B 2 64 ? -45.975 43.298 -7.726 1.00 73.05 ? 393 GLU B OE2 1 ATOM 3059 N N . ALA B 2 65 ? -46.321 36.831 -5.247 1.00 26.60 ? 394 ALA B N 1 ATOM 3060 C CA . ALA B 2 65 ? -46.196 35.893 -4.142 1.00 33.11 ? 394 ALA B CA 1 ATOM 3061 C C . ALA B 2 65 ? -45.544 36.579 -2.930 1.00 31.77 ? 394 ALA B C 1 ATOM 3062 O O . ALA B 2 65 ? -44.785 37.532 -3.084 1.00 31.18 ? 394 ALA B O 1 ATOM 3063 C CB . ALA B 2 65 ? -45.391 34.682 -4.576 1.00 30.11 ? 394 ALA B CB 1 ATOM 3064 N N . VAL B 2 66 ? -45.838 36.107 -1.725 1.00 38.76 ? 395 VAL B N 1 ATOM 3065 C CA . VAL B 2 66 ? -45.275 36.740 -0.534 1.00 41.55 ? 395 VAL B CA 1 ATOM 3066 C C . VAL B 2 66 ? -44.500 35.797 0.374 1.00 42.66 ? 395 VAL B C 1 ATOM 3067 O O . VAL B 2 66 ? -44.649 34.582 0.317 1.00 44.54 ? 395 VAL B O 1 ATOM 3068 C CB . VAL B 2 66 ? -46.366 37.414 0.311 1.00 41.35 ? 395 VAL B CB 1 ATOM 3069 C CG1 . VAL B 2 66 ? -47.010 38.552 -0.472 1.00 34.33 ? 395 VAL B CG1 1 ATOM 3070 C CG2 . VAL B 2 66 ? -47.386 36.380 0.750 1.00 44.82 ? 395 VAL B CG2 1 ATOM 3071 N N . ASP B 2 67 ? -43.683 36.401 1.231 1.00 58.59 ? 396 ASP B N 1 ATOM 3072 C CA . ASP B 2 67 ? -42.794 35.702 2.156 1.00 55.75 ? 396 ASP B CA 1 ATOM 3073 C C . ASP B 2 67 ? -43.463 35.246 3.459 1.00 50.61 ? 396 ASP B C 1 ATOM 3074 O O . ASP B 2 67 ? -42.794 34.704 4.347 1.00 49.60 ? 396 ASP B O 1 ATOM 3075 C CB . ASP B 2 67 ? -41.619 36.621 2.505 1.00 55.96 ? 396 ASP B CB 1 ATOM 3076 C CG . ASP B 2 67 ? -42.078 37.974 3.051 1.00 62.10 ? 396 ASP B CG 1 ATOM 3077 O OD1 . ASP B 2 67 ? -42.905 38.005 3.992 1.00 67.54 ? 396 ASP B OD1 1 ATOM 3078 O OD2 . ASP B 2 67 ? -41.611 39.014 2.541 1.00 63.74 ? 396 ASP B OD2 1 ATOM 3079 N N . HIS B 2 68 ? -44.764 35.487 3.588 1.00 34.43 ? 397 HIS B N 1 ATOM 3080 C CA . HIS B 2 68 ? -45.427 35.359 4.883 1.00 34.22 ? 397 HIS B CA 1 ATOM 3081 C C . HIS B 2 68 ? -45.346 33.950 5.438 1.00 34.04 ? 397 HIS B C 1 ATOM 3082 O O . HIS B 2 68 ? -45.423 32.976 4.699 1.00 32.98 ? 397 HIS B O 1 ATOM 3083 C CB . HIS B 2 68 ? -46.880 35.806 4.783 1.00 29.25 ? 397 HIS B CB 1 ATOM 3084 C CG . HIS B 2 68 ? -47.031 37.282 4.620 1.00 33.05 ? 397 HIS B CG 1 ATOM 3085 N ND1 . HIS B 2 68 ? -48.157 37.861 4.067 1.00 33.19 ? 397 HIS B ND1 1 ATOM 3086 C CD2 . HIS B 2 68 ? -46.200 38.303 4.932 1.00 33.44 ? 397 HIS B CD2 1 ATOM 3087 C CE1 . HIS B 2 68 ? -48.011 39.173 4.055 1.00 31.79 ? 397 HIS B CE1 1 ATOM 3088 N NE2 . HIS B 2 68 ? -46.832 39.470 4.575 1.00 33.96 ? 397 HIS B NE2 1 ATOM 3089 N N . GLU B 2 69 ? -45.162 33.855 6.750 1.00 38.00 ? 398 GLU B N 1 ATOM 3090 C CA . GLU B 2 69 ? -45.016 32.562 7.392 1.00 39.26 ? 398 GLU B CA 1 ATOM 3091 C C . GLU B 2 69 ? -46.294 32.162 8.113 1.00 36.26 ? 398 GLU B C 1 ATOM 3092 O O . GLU B 2 69 ? -47.165 32.989 8.368 1.00 32.10 ? 398 GLU B O 1 ATOM 3093 C CB . GLU B 2 69 ? -43.827 32.574 8.358 1.00 39.19 ? 398 GLU B CB 1 ATOM 3094 C CG . GLU B 2 69 ? -42.486 32.651 7.644 1.00 45.46 ? 398 GLU B CG 1 ATOM 3095 C CD . GLU B 2 69 ? -41.298 32.492 8.577 1.00 52.22 ? 398 GLU B CD 1 ATOM 3096 O OE1 . GLU B 2 69 ? -41.468 32.656 9.805 1.00 50.22 ? 398 GLU B OE1 1 ATOM 3097 O OE2 . GLU B 2 69 ? -40.192 32.196 8.074 1.00 54.81 ? 398 GLU B OE2 1 ATOM 3098 N N . PHE B 2 70 ? -46.397 30.874 8.417 1.00 36.84 ? 399 PHE B N 1 ATOM 3099 C CA . PHE B 2 70 ? -47.566 30.317 9.069 1.00 32.09 ? 399 PHE B CA 1 ATOM 3100 C C . PHE B 2 70 ? -47.134 29.298 10.106 1.00 33.41 ? 399 PHE B C 1 ATOM 3101 O O . PHE B 2 70 ? -46.285 28.450 9.841 1.00 36.91 ? 399 PHE B O 1 ATOM 3102 C CB . PHE B 2 70 ? -48.502 29.689 8.032 1.00 28.26 ? 399 PHE B CB 1 ATOM 3103 C CG . PHE B 2 70 ? -48.915 30.644 6.960 1.00 28.82 ? 399 PHE B CG 1 ATOM 3104 C CD1 . PHE B 2 70 ? -50.006 31.478 7.140 1.00 25.73 ? 399 PHE B CD1 1 ATOM 3105 C CD2 . PHE B 2 70 ? -48.181 30.745 5.787 1.00 30.43 ? 399 PHE B CD2 1 ATOM 3106 C CE1 . PHE B 2 70 ? -50.368 32.378 6.160 1.00 28.05 ? 399 PHE B CE1 1 ATOM 3107 C CE2 . PHE B 2 70 ? -48.538 31.646 4.807 1.00 28.11 ? 399 PHE B CE2 1 ATOM 3108 C CZ . PHE B 2 70 ? -49.634 32.459 4.991 1.00 28.22 ? 399 PHE B CZ 1 ATOM 3109 N N . SER B 2 71 ? -47.717 29.398 11.293 1.00 34.29 ? 400 SER B N 1 ATOM 3110 C CA . SER B 2 71 ? -47.391 28.503 12.392 1.00 34.87 ? 400 SER B CA 1 ATOM 3111 C C . SER B 2 71 ? -47.940 27.097 12.135 1.00 37.39 ? 400 SER B C 1 ATOM 3112 O O . SER B 2 71 ? -48.671 26.873 11.169 1.00 37.78 ? 400 SER B O 1 ATOM 3113 C CB . SER B 2 71 ? -47.945 29.064 13.699 1.00 36.83 ? 400 SER B CB 1 ATOM 3114 O OG . SER B 2 71 ? -49.358 28.931 13.760 1.00 38.14 ? 400 SER B OG 1 ATOM 3115 N N . ASN B 2 72 ? -47.592 26.154 13.002 1.00 46.38 ? 401 ASN B N 1 ATOM 3116 C CA . ASN B 2 72 ? -48.053 24.773 12.863 1.00 46.44 ? 401 ASN B CA 1 ATOM 3117 C C . ASN B 2 72 ? -49.570 24.633 13.059 1.00 47.96 ? 401 ASN B C 1 ATOM 3118 O O . ASN B 2 72 ? -50.151 23.596 12.734 1.00 50.43 ? 401 ASN B O 1 ATOM 3119 C CB . ASN B 2 72 ? -47.301 23.864 13.851 1.00 49.72 ? 401 ASN B CB 1 ATOM 3120 C CG . ASN B 2 72 ? -47.363 24.376 15.291 1.00 60.32 ? 401 ASN B CG 1 ATOM 3121 O OD1 . ASN B 2 72 ? -47.441 25.582 15.534 1.00 67.36 ? 401 ASN B OD1 1 ATOM 3122 N ND2 . ASN B 2 72 ? -47.316 23.458 16.251 1.00 62.16 ? 401 ASN B ND2 1 ATOM 3123 N N . LEU B 2 73 ? -50.209 25.680 13.580 1.00 40.77 ? 402 LEU B N 1 ATOM 3124 C CA . LEU B 2 73 ? -51.658 25.678 13.786 1.00 38.92 ? 402 LEU B CA 1 ATOM 3125 C C . LEU B 2 73 ? -52.377 26.531 12.744 1.00 36.54 ? 402 LEU B C 1 ATOM 3126 O O . LEU B 2 73 ? -53.541 26.917 12.917 1.00 34.61 ? 402 LEU B O 1 ATOM 3127 C CB . LEU B 2 73 ? -51.997 26.160 15.201 1.00 38.31 ? 402 LEU B CB 1 ATOM 3128 C CG . LEU B 2 73 ? -51.782 25.080 16.270 1.00 42.04 ? 402 LEU B CG 1 ATOM 3129 C CD1 . LEU B 2 73 ? -52.090 25.604 17.658 1.00 35.82 ? 402 LEU B CD1 1 ATOM 3130 C CD2 . LEU B 2 73 ? -52.644 23.860 15.943 1.00 38.04 ? 402 LEU B CD2 1 ATOM 3131 N N . GLU B 2 74 ? -51.663 26.810 11.656 1.00 36.69 ? 403 GLU B N 1 ATOM 3132 C CA . GLU B 2 74 ? -52.204 27.544 10.522 1.00 35.86 ? 403 GLU B CA 1 ATOM 3133 C C . GLU B 2 74 ? -51.930 26.782 9.223 1.00 31.80 ? 403 GLU B C 1 ATOM 3134 O O . GLU B 2 74 ? -51.632 27.367 8.186 1.00 32.02 ? 403 GLU B O 1 ATOM 3135 C CB . GLU B 2 74 ? -51.613 28.954 10.469 1.00 36.01 ? 403 GLU B CB 1 ATOM 3136 C CG . GLU B 2 74 ? -51.924 29.783 11.703 1.00 33.94 ? 403 GLU B CG 1 ATOM 3137 C CD . GLU B 2 74 ? -51.236 31.129 11.702 1.00 35.52 ? 403 GLU B CD 1 ATOM 3138 O OE1 . GLU B 2 74 ? -50.025 31.185 11.378 1.00 31.39 ? 403 GLU B OE1 1 ATOM 3139 O OE2 . GLU B 2 74 ? -51.913 32.131 12.031 1.00 32.33 ? 403 GLU B OE2 1 ATOM 3140 N N . ARG B 2 75 ? -52.030 25.463 9.302 1.00 38.34 ? 404 ARG B N 1 ATOM 3141 C CA . ARG B 2 75 ? -51.863 24.595 8.143 1.00 39.95 ? 404 ARG B CA 1 ATOM 3142 C C . ARG B 2 75 ? -52.913 24.893 7.064 1.00 37.73 ? 404 ARG B C 1 ATOM 3143 O O . ARG B 2 75 ? -52.606 24.875 5.866 1.00 39.28 ? 404 ARG B O 1 ATOM 3144 C CB . ARG B 2 75 ? -51.927 23.119 8.584 1.00 44.10 ? 404 ARG B CB 1 ATOM 3145 C CG . ARG B 2 75 ? -51.879 22.087 7.449 1.00 48.16 ? 404 ARG B CG 1 ATOM 3146 C CD . ARG B 2 75 ? -51.783 20.645 7.992 1.00 49.16 ? 404 ARG B CD 1 ATOM 3147 N NE . ARG B 2 75 ? -50.411 20.137 7.983 1.00 50.83 ? 404 ARG B NE 1 ATOM 3148 C CZ . ARG B 2 75 ? -49.597 20.159 9.033 1.00 54.38 ? 404 ARG B CZ 1 ATOM 3149 N NH1 . ARG B 2 75 ? -50.011 20.660 10.191 1.00 54.59 ? 404 ARG B NH1 1 ATOM 3150 N NH2 . ARG B 2 75 ? -48.365 19.676 8.927 1.00 58.47 ? 404 ARG B NH2 1 ATOM 3151 N N . ARG B 2 76 ? -54.140 25.190 7.483 1.00 25.32 ? 405 ARG B N 1 ATOM 3152 C CA . ARG B 2 76 ? -55.211 25.458 6.531 1.00 27.07 ? 405 ARG B CA 1 ATOM 3153 C C . ARG B 2 76 ? -54.976 26.753 5.733 1.00 26.60 ? 405 ARG B C 1 ATOM 3154 O O . ARG B 2 76 ? -55.038 26.732 4.499 1.00 27.46 ? 405 ARG B O 1 ATOM 3155 C CB . ARG B 2 76 ? -56.567 25.498 7.239 1.00 25.51 ? 405 ARG B CB 1 ATOM 3156 C CG . ARG B 2 76 ? -57.066 24.122 7.731 1.00 28.42 ? 405 ARG B CG 1 ATOM 3157 C CD . ARG B 2 76 ? -58.243 24.272 8.673 1.00 23.87 ? 405 ARG B CD 1 ATOM 3158 N NE . ARG B 2 76 ? -57.887 25.172 9.766 1.00 28.07 ? 405 ARG B NE 1 ATOM 3159 C CZ . ARG B 2 76 ? -58.726 26.012 10.358 1.00 26.92 ? 405 ARG B CZ 1 ATOM 3160 N NH1 . ARG B 2 76 ? -59.992 26.077 9.968 1.00 27.49 ? 405 ARG B NH1 1 ATOM 3161 N NH2 . ARG B 2 76 ? -58.293 26.793 11.338 1.00 26.83 ? 405 ARG B NH2 1 ATOM 3162 N N . ILE B 2 77 ? -54.698 27.869 6.404 1.00 29.16 ? 406 ILE B N 1 ATOM 3163 C CA . ILE B 2 77 ? -54.483 29.118 5.663 1.00 32.58 ? 406 ILE B CA 1 ATOM 3164 C C . ILE B 2 77 ? -53.123 29.159 4.955 1.00 31.18 ? 406 ILE B C 1 ATOM 3165 O O . ILE B 2 77 ? -52.994 29.818 3.924 1.00 29.41 ? 406 ILE B O 1 ATOM 3166 C CB . ILE B 2 77 ? -54.607 30.377 6.549 1.00 31.90 ? 406 ILE B CB 1 ATOM 3167 C CG1 . ILE B 2 77 ? -53.634 30.324 7.729 1.00 35.77 ? 406 ILE B CG1 1 ATOM 3168 C CG2 . ILE B 2 77 ? -56.043 30.552 7.014 1.00 31.80 ? 406 ILE B CG2 1 ATOM 3169 C CD1 . ILE B 2 77 ? -53.596 31.617 8.547 1.00 36.80 ? 406 ILE B CD1 1 ATOM 3170 N N . GLY B 2 78 ? -52.125 28.454 5.489 1.00 20.81 ? 407 GLY B N 1 ATOM 3171 C CA . GLY B 2 78 ? -50.852 28.318 4.803 1.00 20.46 ? 407 GLY B CA 1 ATOM 3172 C C . GLY B 2 78 ? -51.014 27.584 3.471 1.00 27.59 ? 407 GLY B C 1 ATOM 3173 O O . GLY B 2 78 ? -50.416 27.950 2.459 1.00 27.26 ? 407 GLY B O 1 ATOM 3174 N N . ASN B 2 79 ? -51.838 26.542 3.478 1.00 32.89 ? 408 ASN B N 1 ATOM 3175 C CA . ASN B 2 79 ? -52.083 25.731 2.297 1.00 31.04 ? 408 ASN B CA 1 ATOM 3176 C C . ASN B 2 79 ? -53.002 26.468 1.330 1.00 31.44 ? 408 ASN B C 1 ATOM 3177 O O . ASN B 2 79 ? -52.898 26.321 0.113 1.00 33.00 ? 408 ASN B O 1 ATOM 3178 C CB . ASN B 2 79 ? -52.678 24.376 2.706 1.00 36.06 ? 408 ASN B CB 1 ATOM 3179 C CG . ASN B 2 79 ? -53.258 23.607 1.527 1.00 42.70 ? 408 ASN B CG 1 ATOM 3180 O OD1 . ASN B 2 79 ? -54.479 23.536 1.355 1.00 45.97 ? 408 ASN B OD1 1 ATOM 3181 N ND2 . ASN B 2 79 ? -52.386 23.033 0.707 1.00 39.90 ? 408 ASN B ND2 1 ATOM 3182 N N . LEU B 2 80 ? -53.895 27.277 1.884 1.00 33.41 ? 409 LEU B N 1 ATOM 3183 C CA . LEU B 2 80 ? -54.729 28.150 1.076 1.00 31.88 ? 409 LEU B CA 1 ATOM 3184 C C . LEU B 2 80 ? -53.840 29.134 0.300 1.00 29.59 ? 409 LEU B C 1 ATOM 3185 O O . LEU B 2 80 ? -54.050 29.362 -0.887 1.00 34.09 ? 409 LEU B O 1 ATOM 3186 C CB . LEU B 2 80 ? -55.738 28.883 1.961 1.00 30.91 ? 409 LEU B CB 1 ATOM 3187 C CG . LEU B 2 80 ? -56.941 29.572 1.323 1.00 32.62 ? 409 LEU B CG 1 ATOM 3188 C CD1 . LEU B 2 80 ? -58.038 29.797 2.343 1.00 32.02 ? 409 LEU B CD1 1 ATOM 3189 C CD2 . LEU B 2 80 ? -56.517 30.891 0.749 1.00 37.13 ? 409 LEU B CD2 1 ATOM 3190 N N . ASN B 2 81 ? -52.843 29.699 0.969 1.00 29.35 ? 410 ASN B N 1 ATOM 3191 C CA . ASN B 2 81 ? -51.900 30.595 0.309 1.00 30.93 ? 410 ASN B CA 1 ATOM 3192 C C . ASN B 2 81 ? -51.080 29.906 -0.772 1.00 30.40 ? 410 ASN B C 1 ATOM 3193 O O . ASN B 2 81 ? -50.879 30.459 -1.851 1.00 29.25 ? 410 ASN B O 1 ATOM 3194 C CB . ASN B 2 81 ? -50.949 31.229 1.323 1.00 31.85 ? 410 ASN B CB 1 ATOM 3195 C CG . ASN B 2 81 ? -49.994 32.209 0.678 1.00 29.16 ? 410 ASN B CG 1 ATOM 3196 O OD1 . ASN B 2 81 ? -50.407 33.261 0.210 1.00 33.65 ? 410 ASN B OD1 1 ATOM 3197 N ND2 . ASN B 2 81 ? -48.713 31.867 0.648 1.00 31.99 ? 410 ASN B ND2 1 ATOM 3198 N N . LYS B 2 82 ? -50.599 28.703 -0.478 1.00 33.31 ? 411 LYS B N 1 ATOM 3199 C CA . LYS B 2 82 ? -49.823 27.961 -1.456 1.00 34.61 ? 411 LYS B CA 1 ATOM 3200 C C . LYS B 2 82 ? -50.659 27.640 -2.696 1.00 33.70 ? 411 LYS B C 1 ATOM 3201 O O . LYS B 2 82 ? -50.223 27.882 -3.813 1.00 36.15 ? 411 LYS B O 1 ATOM 3202 C CB . LYS B 2 82 ? -49.269 26.673 -0.847 1.00 33.38 ? 411 LYS B CB 1 ATOM 3203 C CG . LYS B 2 82 ? -48.448 25.850 -1.826 1.00 42.62 ? 411 LYS B CG 1 ATOM 3204 C CD . LYS B 2 82 ? -48.185 24.442 -1.301 1.00 54.35 ? 411 LYS B CD 1 ATOM 3205 C CE . LYS B 2 82 ? -47.751 23.503 -2.425 1.00 53.91 ? 411 LYS B CE 1 ATOM 3206 N NZ . LYS B 2 82 ? -46.624 24.100 -3.208 1.00 60.30 ? 411 LYS B NZ 1 ATOM 3207 N N . ARG B 2 83 ? -51.858 27.103 -2.490 1.00 29.15 ? 412 ARG B N 1 ATOM 3208 C CA . ARG B 2 83 ? -52.712 26.675 -3.596 1.00 30.27 ? 412 ARG B CA 1 ATOM 3209 C C . ARG B 2 83 ? -53.146 27.854 -4.462 1.00 30.04 ? 412 ARG B C 1 ATOM 3210 O O . ARG B 2 83 ? -53.390 27.708 -5.657 1.00 25.52 ? 412 ARG B O 1 ATOM 3211 C CB . ARG B 2 83 ? -53.952 25.935 -3.069 1.00 29.31 ? 412 ARG B CB 1 ATOM 3212 C CG . ARG B 2 83 ? -53.701 24.491 -2.680 1.00 33.46 ? 412 ARG B CG 1 ATOM 3213 C CD . ARG B 2 83 ? -54.704 24.012 -1.646 1.00 34.82 ? 412 ARG B CD 1 ATOM 3214 N NE . ARG B 2 83 ? -56.071 24.304 -2.063 1.00 42.98 ? 412 ARG B NE 1 ATOM 3215 C CZ . ARG B 2 83 ? -56.964 24.965 -1.330 1.00 37.26 ? 412 ARG B CZ 1 ATOM 3216 N NH1 . ARG B 2 83 ? -56.662 25.403 -0.116 1.00 25.94 ? 412 ARG B NH1 1 ATOM 3217 N NH2 . ARG B 2 83 ? -58.175 25.176 -1.821 1.00 38.46 ? 412 ARG B NH2 1 ATOM 3218 N N . MET B 2 84 ? -53.252 29.023 -3.851 1.00 30.02 ? 413 MET B N 1 ATOM 3219 C CA . MET B 2 84 ? -53.634 30.206 -4.598 1.00 33.11 ? 413 MET B CA 1 ATOM 3220 C C . MET B 2 84 ? -52.476 30.732 -5.440 1.00 29.52 ? 413 MET B C 1 ATOM 3221 O O . MET B 2 84 ? -52.647 31.055 -6.618 1.00 30.71 ? 413 MET B O 1 ATOM 3222 C CB . MET B 2 84 ? -54.136 31.292 -3.655 1.00 29.75 ? 413 MET B CB 1 ATOM 3223 C CG . MET B 2 84 ? -54.254 32.620 -4.337 1.00 27.80 ? 413 MET B CG 1 ATOM 3224 S SD . MET B 2 84 ? -53.986 33.937 -3.196 1.00 48.99 ? 413 MET B SD 1 ATOM 3225 C CE . MET B 2 84 ? -53.550 35.198 -4.332 1.00 46.65 ? 413 MET B CE 1 ATOM 3226 N N . GLU B 2 85 ? -51.304 30.818 -4.832 1.00 22.97 ? 414 GLU B N 1 ATOM 3227 C CA . GLU B 2 85 ? -50.114 31.249 -5.542 1.00 29.85 ? 414 GLU B CA 1 ATOM 3228 C C . GLU B 2 85 ? -49.814 30.311 -6.700 1.00 31.32 ? 414 GLU B C 1 ATOM 3229 O O . GLU B 2 85 ? -49.588 30.767 -7.828 1.00 25.13 ? 414 GLU B O 1 ATOM 3230 C CB . GLU B 2 85 ? -48.924 31.343 -4.586 1.00 27.36 ? 414 GLU B CB 1 ATOM 3231 C CG . GLU B 2 85 ? -49.059 32.541 -3.652 1.00 28.15 ? 414 GLU B CG 1 ATOM 3232 C CD . GLU B 2 85 ? -47.929 32.662 -2.652 1.00 36.96 ? 414 GLU B CD 1 ATOM 3233 O OE1 . GLU B 2 85 ? -46.990 31.834 -2.695 1.00 44.17 ? 414 GLU B OE1 1 ATOM 3234 O OE2 . GLU B 2 85 ? -47.969 33.610 -1.841 1.00 35.44 ? 414 GLU B OE2 1 ATOM 3235 N N . ASP B 2 86 ? -49.837 29.008 -6.431 1.00 27.18 ? 415 ASP B N 1 ATOM 3236 C CA . ASP B 2 86 ? -49.684 28.018 -7.491 1.00 27.88 ? 415 ASP B CA 1 ATOM 3237 C C . ASP B 2 86 ? -50.814 28.119 -8.522 1.00 27.97 ? 415 ASP B C 1 ATOM 3238 O O . ASP B 2 86 ? -50.605 27.899 -9.707 1.00 23.89 ? 415 ASP B O 1 ATOM 3239 C CB . ASP B 2 86 ? -49.638 26.605 -6.906 1.00 27.50 ? 415 ASP B CB 1 ATOM 3240 C CG . ASP B 2 86 ? -48.390 26.354 -6.091 1.00 42.13 ? 415 ASP B CG 1 ATOM 3241 O OD1 . ASP B 2 86 ? -47.433 27.153 -6.214 1.00 45.78 ? 415 ASP B OD1 1 ATOM 3242 O OD2 . ASP B 2 86 ? -48.360 25.355 -5.333 1.00 47.69 ? 415 ASP B OD2 1 ATOM 3243 N N . GLY B 2 87 ? -52.017 28.434 -8.053 1.00 29.94 ? 416 GLY B N 1 ATOM 3244 C CA . GLY B 2 87 ? -53.156 28.593 -8.928 1.00 24.80 ? 416 GLY B CA 1 ATOM 3245 C C . GLY B 2 87 ? -52.910 29.643 -9.997 1.00 29.24 ? 416 GLY B C 1 ATOM 3246 O O . GLY B 2 87 ? -53.134 29.386 -11.184 1.00 27.86 ? 416 GLY B O 1 ATOM 3247 N N . PHE B 2 88 ? -52.436 30.819 -9.587 1.00 21.88 ? 417 PHE B N 1 ATOM 3248 C CA . PHE B 2 88 ? -52.186 31.906 -10.533 1.00 23.45 ? 417 PHE B CA 1 ATOM 3249 C C . PHE B 2 88 ? -50.976 31.642 -11.414 1.00 23.96 ? 417 PHE B C 1 ATOM 3250 O O . PHE B 2 88 ? -50.944 32.043 -12.577 1.00 30.72 ? 417 PHE B O 1 ATOM 3251 C CB . PHE B 2 88 ? -52.021 33.237 -9.798 1.00 21.84 ? 417 PHE B CB 1 ATOM 3252 C CG . PHE B 2 88 ? -53.320 33.826 -9.358 1.00 25.95 ? 417 PHE B CG 1 ATOM 3253 C CD1 . PHE B 2 88 ? -54.253 34.235 -10.298 1.00 24.22 ? 417 PHE B CD1 1 ATOM 3254 C CD2 . PHE B 2 88 ? -53.630 33.949 -8.015 1.00 22.39 ? 417 PHE B CD2 1 ATOM 3255 C CE1 . PHE B 2 88 ? -55.468 34.762 -9.910 1.00 22.35 ? 417 PHE B CE1 1 ATOM 3256 C CE2 . PHE B 2 88 ? -54.836 34.486 -7.627 1.00 26.30 ? 417 PHE B CE2 1 ATOM 3257 C CZ . PHE B 2 88 ? -55.756 34.891 -8.580 1.00 28.39 ? 417 PHE B CZ 1 ATOM 3258 N N . LEU B 2 89 ? -49.987 30.960 -10.862 1.00 22.14 ? 418 LEU B N 1 ATOM 3259 C CA . LEU B 2 89 ? -48.811 30.589 -11.624 1.00 26.18 ? 418 LEU B CA 1 ATOM 3260 C C . LEU B 2 89 ? -49.208 29.692 -12.794 1.00 28.87 ? 418 LEU B C 1 ATOM 3261 O O . LEU B 2 89 ? -48.696 29.844 -13.906 1.00 29.08 ? 418 LEU B O 1 ATOM 3262 C CB . LEU B 2 89 ? -47.790 29.893 -10.721 1.00 24.58 ? 418 LEU B CB 1 ATOM 3263 C CG . LEU B 2 89 ? -46.557 29.324 -11.408 1.00 31.47 ? 418 LEU B CG 1 ATOM 3264 C CD1 . LEU B 2 89 ? -45.886 30.405 -12.258 1.00 28.80 ? 418 LEU B CD1 1 ATOM 3265 C CD2 . LEU B 2 89 ? -45.589 28.743 -10.375 1.00 24.80 ? 418 LEU B CD2 1 ATOM 3266 N N . ASP B 2 90 ? -50.137 28.776 -12.549 1.00 24.32 ? 419 ASP B N 1 ATOM 3267 C CA . ASP B 2 90 ? -50.582 27.870 -13.592 1.00 24.50 ? 419 ASP B CA 1 ATOM 3268 C C . ASP B 2 90 ? -51.426 28.580 -14.655 1.00 27.36 ? 419 ASP B C 1 ATOM 3269 O O . ASP B 2 90 ? -51.274 28.271 -15.841 1.00 26.31 ? 419 ASP B O 1 ATOM 3270 C CB . ASP B 2 90 ? -51.368 26.693 -13.007 1.00 29.53 ? 419 ASP B CB 1 ATOM 3271 C CG . ASP B 2 90 ? -50.480 25.699 -12.252 1.00 34.30 ? 419 ASP B CG 1 ATOM 3272 O OD1 . ASP B 2 90 ? -49.252 25.652 -12.496 1.00 35.84 ? 419 ASP B OD1 1 ATOM 3273 O OD2 . ASP B 2 90 ? -51.025 24.938 -11.423 1.00 38.47 ? 419 ASP B OD2 1 ATOM 3274 N N . VAL B 2 91 ? -52.293 29.528 -14.277 1.00 22.98 ? 420 VAL B N 1 ATOM 3275 C CA . VAL B 2 91 ? -53.073 30.175 -15.325 1.00 25.45 ? 420 VAL B CA 1 ATOM 3276 C C . VAL B 2 91 ? -52.172 31.081 -16.166 1.00 24.77 ? 420 VAL B C 1 ATOM 3277 O O . VAL B 2 91 ? -52.357 31.142 -17.376 1.00 25.79 ? 420 VAL B O 1 ATOM 3278 C CB . VAL B 2 91 ? -54.331 30.993 -14.810 1.00 27.73 ? 420 VAL B CB 1 ATOM 3279 C CG1 . VAL B 2 91 ? -54.978 30.355 -13.579 1.00 19.36 ? 420 VAL B CG1 1 ATOM 3280 C CG2 . VAL B 2 91 ? -54.028 32.459 -14.609 1.00 29.81 ? 420 VAL B CG2 1 ATOM 3281 N N . TRP B 2 92 ? -51.182 31.744 -15.569 1.00 22.61 ? 421 TRP B N 1 ATOM 3282 C CA . TRP B 2 92 ? -50.330 32.622 -16.373 1.00 23.10 ? 421 TRP B CA 1 ATOM 3283 C C . TRP B 2 92 ? -49.340 31.851 -17.255 1.00 24.93 ? 421 TRP B C 1 ATOM 3284 O O . TRP B 2 92 ? -49.052 32.278 -18.385 1.00 24.25 ? 421 TRP B O 1 ATOM 3285 C CB . TRP B 2 92 ? -49.587 33.625 -15.494 1.00 21.94 ? 421 TRP B CB 1 ATOM 3286 C CG . TRP B 2 92 ? -50.497 34.723 -15.020 1.00 25.22 ? 421 TRP B CG 1 ATOM 3287 C CD1 . TRP B 2 92 ? -50.923 34.938 -13.743 1.00 24.46 ? 421 TRP B CD1 1 ATOM 3288 C CD2 . TRP B 2 92 ? -51.118 35.734 -15.825 1.00 22.72 ? 421 TRP B CD2 1 ATOM 3289 N NE1 . TRP B 2 92 ? -51.760 36.023 -13.701 1.00 19.48 ? 421 TRP B NE1 1 ATOM 3290 C CE2 . TRP B 2 92 ? -51.898 36.530 -14.963 1.00 22.71 ? 421 TRP B CE2 1 ATOM 3291 C CE3 . TRP B 2 92 ? -51.097 36.040 -17.191 1.00 25.68 ? 421 TRP B CE3 1 ATOM 3292 C CZ2 . TRP B 2 92 ? -52.639 37.616 -15.415 1.00 24.04 ? 421 TRP B CZ2 1 ATOM 3293 C CZ3 . TRP B 2 92 ? -51.831 37.119 -17.641 1.00 25.44 ? 421 TRP B CZ3 1 ATOM 3294 C CH2 . TRP B 2 92 ? -52.593 37.896 -16.753 1.00 26.15 ? 421 TRP B CH2 1 ATOM 3295 N N . THR B 2 93 ? -48.839 30.719 -16.762 1.00 21.10 ? 422 THR B N 1 ATOM 3296 C CA . THR B 2 93 ? -48.009 29.839 -17.583 1.00 20.02 ? 422 THR B CA 1 ATOM 3297 C C . THR B 2 93 ? -48.841 29.329 -18.761 1.00 22.96 ? 422 THR B C 1 ATOM 3298 O O . THR B 2 93 ? -48.373 29.302 -19.899 1.00 24.38 ? 422 THR B O 1 ATOM 3299 C CB . THR B 2 93 ? -47.459 28.640 -16.774 1.00 21.75 ? 422 THR B CB 1 ATOM 3300 O OG1 . THR B 2 93 ? -46.808 29.109 -15.594 1.00 22.76 ? 422 THR B OG1 1 ATOM 3301 C CG2 . THR B 2 93 ? -46.488 27.842 -17.590 1.00 24.03 ? 422 THR B CG2 1 ATOM 3302 N N . TYR B 2 94 ? -50.082 28.935 -18.482 1.00 25.69 ? 423 TYR B N 1 ATOM 3303 C CA . TYR B 2 94 ? -51.011 28.519 -19.532 1.00 21.36 ? 423 TYR B CA 1 ATOM 3304 C C . TYR B 2 94 ? -51.246 29.652 -20.537 1.00 24.40 ? 423 TYR B C 1 ATOM 3305 O O . TYR B 2 94 ? -51.166 29.433 -21.746 1.00 25.02 ? 423 TYR B O 1 ATOM 3306 C CB . TYR B 2 94 ? -52.358 28.056 -18.943 1.00 22.94 ? 423 TYR B CB 1 ATOM 3307 C CG . TYR B 2 94 ? -53.430 27.945 -19.998 1.00 26.04 ? 423 TYR B CG 1 ATOM 3308 C CD1 . TYR B 2 94 ? -53.550 26.800 -20.782 1.00 25.22 ? 423 TYR B CD1 1 ATOM 3309 C CD2 . TYR B 2 94 ? -54.297 29.010 -20.250 1.00 26.48 ? 423 TYR B CD2 1 ATOM 3310 C CE1 . TYR B 2 94 ? -54.511 26.710 -21.775 1.00 24.24 ? 423 TYR B CE1 1 ATOM 3311 C CE2 . TYR B 2 94 ? -55.251 28.929 -21.236 1.00 28.96 ? 423 TYR B CE2 1 ATOM 3312 C CZ . TYR B 2 94 ? -55.354 27.779 -21.997 1.00 29.53 ? 423 TYR B CZ 1 ATOM 3313 O OH . TYR B 2 94 ? -56.311 27.718 -22.983 1.00 34.88 ? 423 TYR B OH 1 ATOM 3314 N N . ASN B 2 95 ? -51.540 30.855 -20.036 1.00 24.82 ? 424 ASN B N 1 ATOM 3315 C CA . ASN B 2 95 ? -51.871 31.987 -20.901 1.00 24.33 ? 424 ASN B CA 1 ATOM 3316 C C . ASN B 2 95 ? -50.732 32.331 -21.840 1.00 25.33 ? 424 ASN B C 1 ATOM 3317 O O . ASN B 2 95 ? -50.936 32.517 -23.036 1.00 28.50 ? 424 ASN B O 1 ATOM 3318 C CB . ASN B 2 95 ? -52.229 33.235 -20.087 1.00 24.89 ? 424 ASN B CB 1 ATOM 3319 C CG . ASN B 2 95 ? -53.578 33.140 -19.411 1.00 27.15 ? 424 ASN B CG 1 ATOM 3320 O OD1 . ASN B 2 95 ? -54.408 32.307 -19.764 1.00 30.12 ? 424 ASN B OD1 1 ATOM 3321 N ND2 . ASN B 2 95 ? -53.806 34.009 -18.429 1.00 30.92 ? 424 ASN B ND2 1 ATOM 3322 N N . ALA B 2 96 ? -49.533 32.423 -21.282 1.00 21.88 ? 425 ALA B N 1 ATOM 3323 C CA . ALA B 2 96 ? -48.336 32.764 -22.042 1.00 21.46 ? 425 ALA B CA 1 ATOM 3324 C C . ALA B 2 96 ? -47.973 31.688 -23.077 1.00 23.45 ? 425 ALA B C 1 ATOM 3325 O O . ALA B 2 96 ? -47.720 32.010 -24.236 1.00 25.72 ? 425 ALA B O 1 ATOM 3326 C CB . ALA B 2 96 ? -47.167 32.999 -21.089 1.00 20.80 ? 425 ALA B CB 1 ATOM 3327 N N . GLU B 2 97 ? -47.948 30.416 -22.670 1.00 23.36 ? 426 GLU B N 1 ATOM 3328 C CA . GLU B 2 97 ? -47.516 29.351 -23.579 1.00 27.02 ? 426 GLU B CA 1 ATOM 3329 C C . GLU B 2 97 ? -48.521 29.107 -24.700 1.00 29.65 ? 426 GLU B C 1 ATOM 3330 O O . GLU B 2 97 ? -48.141 28.909 -25.853 1.00 30.43 ? 426 GLU B O 1 ATOM 3331 C CB . GLU B 2 97 ? -47.258 28.052 -22.811 1.00 29.74 ? 426 GLU B CB 1 ATOM 3332 C CG . GLU B 2 97 ? -46.047 28.135 -21.889 1.00 28.56 ? 426 GLU B CG 1 ATOM 3333 C CD . GLU B 2 97 ? -45.720 26.819 -21.200 1.00 40.75 ? 426 GLU B CD 1 ATOM 3334 O OE1 . GLU B 2 97 ? -46.287 25.772 -21.588 1.00 46.09 ? 426 GLU B OE1 1 ATOM 3335 O OE2 . GLU B 2 97 ? -44.883 26.830 -20.270 1.00 38.33 ? 426 GLU B OE2 1 ATOM 3336 N N . LEU B 2 98 ? -49.804 29.140 -24.368 1.00 28.50 ? 427 LEU B N 1 ATOM 3337 C CA . LEU B 2 98 ? -50.833 28.987 -25.380 1.00 26.29 ? 427 LEU B CA 1 ATOM 3338 C C . LEU B 2 98 ? -50.817 30.177 -26.341 1.00 28.51 ? 427 LEU B C 1 ATOM 3339 O O . LEU B 2 98 ? -50.899 29.998 -27.557 1.00 27.89 ? 427 LEU B O 1 ATOM 3340 C CB . LEU B 2 98 ? -52.205 28.828 -24.718 1.00 31.92 ? 427 LEU B CB 1 ATOM 3341 C CG . LEU B 2 98 ? -53.386 28.242 -25.498 1.00 37.03 ? 427 LEU B CG 1 ATOM 3342 C CD1 . LEU B 2 98 ? -54.128 29.324 -26.274 1.00 34.56 ? 427 LEU B CD1 1 ATOM 3343 C CD2 . LEU B 2 98 ? -52.936 27.109 -26.420 1.00 32.60 ? 427 LEU B CD2 1 ATOM 3344 N N . LEU B 2 99 ? -50.693 31.389 -25.805 1.00 28.36 ? 428 LEU B N 1 ATOM 3345 C CA . LEU B 2 99 ? -50.713 32.582 -26.654 1.00 28.13 ? 428 LEU B CA 1 ATOM 3346 C C . LEU B 2 99 ? -49.594 32.554 -27.690 1.00 31.86 ? 428 LEU B C 1 ATOM 3347 O O . LEU B 2 99 ? -49.808 32.862 -28.871 1.00 29.79 ? 428 LEU B O 1 ATOM 3348 C CB . LEU B 2 99 ? -50.593 33.853 -25.821 1.00 29.28 ? 428 LEU B CB 1 ATOM 3349 C CG . LEU B 2 99 ? -50.658 35.134 -26.650 1.00 30.54 ? 428 LEU B CG 1 ATOM 3350 C CD1 . LEU B 2 99 ? -52.007 35.222 -27.399 1.00 29.70 ? 428 LEU B CD1 1 ATOM 3351 C CD2 . LEU B 2 99 ? -50.422 36.361 -25.783 1.00 27.14 ? 428 LEU B CD2 1 ATOM 3352 N N . VAL B 2 100 ? -48.400 32.172 -27.244 1.00 28.09 ? 429 VAL B N 1 ATOM 3353 C CA . VAL B 2 100 ? -47.244 32.108 -28.132 1.00 27.69 ? 429 VAL B CA 1 ATOM 3354 C C . VAL B 2 100 ? -47.427 31.076 -29.256 1.00 23.97 ? 429 VAL B C 1 ATOM 3355 O O . VAL B 2 100 ? -47.063 31.340 -30.396 1.00 24.78 ? 429 VAL B O 1 ATOM 3356 C CB . VAL B 2 100 ? -45.957 31.809 -27.323 1.00 26.48 ? 429 VAL B CB 1 ATOM 3357 C CG1 . VAL B 2 100 ? -44.848 31.298 -28.215 1.00 27.85 ? 429 VAL B CG1 1 ATOM 3358 C CG2 . VAL B 2 100 ? -45.514 33.056 -26.591 1.00 21.68 ? 429 VAL B CG2 1 ATOM 3359 N N . LEU B 2 101 ? -48.004 29.918 -28.942 1.00 23.13 ? 430 LEU B N 1 ATOM 3360 C CA . LEU B 2 101 ? -48.224 28.882 -29.950 1.00 22.80 ? 430 LEU B CA 1 ATOM 3361 C C . LEU B 2 101 ? -49.255 29.347 -30.971 1.00 26.26 ? 430 LEU B C 1 ATOM 3362 O O . LEU B 2 101 ? -49.121 29.094 -32.175 1.00 23.69 ? 430 LEU B O 1 ATOM 3363 C CB . LEU B 2 101 ? -48.683 27.568 -29.309 1.00 24.10 ? 430 LEU B CB 1 ATOM 3364 C CG . LEU B 2 101 ? -47.708 26.757 -28.444 1.00 28.34 ? 430 LEU B CG 1 ATOM 3365 C CD1 . LEU B 2 101 ? -48.362 25.451 -27.948 1.00 23.13 ? 430 LEU B CD1 1 ATOM 3366 C CD2 . LEU B 2 101 ? -46.422 26.464 -29.205 1.00 26.33 ? 430 LEU B CD2 1 ATOM 3367 N N . LEU B 2 102 ? -50.285 30.027 -30.477 1.00 28.73 ? 431 LEU B N 1 ATOM 3368 C CA . LEU B 2 102 ? -51.348 30.536 -31.332 1.00 26.01 ? 431 LEU B CA 1 ATOM 3369 C C . LEU B 2 102 ? -50.839 31.693 -32.194 1.00 25.59 ? 431 LEU B C 1 ATOM 3370 O O . LEU B 2 102 ? -51.072 31.731 -33.399 1.00 28.50 ? 431 LEU B O 1 ATOM 3371 C CB . LEU B 2 102 ? -52.558 30.975 -30.492 1.00 24.65 ? 431 LEU B CB 1 ATOM 3372 C CG . LEU B 2 102 ? -53.677 31.730 -31.221 1.00 31.62 ? 431 LEU B CG 1 ATOM 3373 C CD1 . LEU B 2 102 ? -54.240 30.915 -32.391 1.00 31.80 ? 431 LEU B CD1 1 ATOM 3374 C CD2 . LEU B 2 102 ? -54.783 32.113 -30.260 1.00 34.18 ? 431 LEU B CD2 1 ATOM 3375 N N . GLU B 2 103 ? -50.137 32.633 -31.578 1.00 30.42 ? 432 GLU B N 1 ATOM 3376 C CA . GLU B 2 103 ? -49.655 33.793 -32.310 1.00 30.16 ? 432 GLU B CA 1 ATOM 3377 C C . GLU B 2 103 ? -48.612 33.405 -33.344 1.00 30.20 ? 432 GLU B C 1 ATOM 3378 O O . GLU B 2 103 ? -48.578 33.988 -34.429 1.00 33.83 ? 432 GLU B O 1 ATOM 3379 C CB . GLU B 2 103 ? -49.104 34.845 -31.349 1.00 27.44 ? 432 GLU B CB 1 ATOM 3380 C CG . GLU B 2 103 ? -50.214 35.646 -30.676 1.00 31.23 ? 432 GLU B CG 1 ATOM 3381 C CD . GLU B 2 103 ? -51.381 35.942 -31.634 1.00 43.93 ? 432 GLU B CD 1 ATOM 3382 O OE1 . GLU B 2 103 ? -51.142 36.487 -32.737 1.00 51.21 ? 432 GLU B OE1 1 ATOM 3383 O OE2 . GLU B 2 103 ? -52.542 35.624 -31.295 1.00 49.00 ? 432 GLU B OE2 1 ATOM 3384 N N . ASN B 2 104 ? -47.790 32.407 -33.032 1.00 23.05 ? 433 ASN B N 1 ATOM 3385 C CA . ASN B 2 104 ? -46.767 31.969 -33.969 1.00 26.01 ? 433 ASN B CA 1 ATOM 3386 C C . ASN B 2 104 ? -47.390 31.393 -35.219 1.00 25.03 ? 433 ASN B C 1 ATOM 3387 O O . ASN B 2 104 ? -46.942 31.673 -36.331 1.00 30.01 ? 433 ASN B O 1 ATOM 3388 C CB . ASN B 2 104 ? -45.825 30.947 -33.328 1.00 24.51 ? 433 ASN B CB 1 ATOM 3389 C CG . ASN B 2 104 ? -44.806 31.600 -32.419 1.00 24.45 ? 433 ASN B CG 1 ATOM 3390 O OD1 . ASN B 2 104 ? -44.665 32.821 -32.422 1.00 24.26 ? 433 ASN B OD1 1 ATOM 3391 N ND2 . ASN B 2 104 ? -44.090 30.796 -31.639 1.00 24.99 ? 433 ASN B ND2 1 ATOM 3392 N N . GLU B 2 105 ? -48.438 30.598 -35.041 1.00 25.77 ? 434 GLU B N 1 ATOM 3393 C CA . GLU B 2 105 ? -49.105 30.001 -36.181 1.00 30.24 ? 434 GLU B CA 1 ATOM 3394 C C . GLU B 2 105 ? -49.705 31.077 -37.083 1.00 33.01 ? 434 GLU B C 1 ATOM 3395 O O . GLU B 2 105 ? -49.595 31.006 -38.312 1.00 26.46 ? 434 GLU B O 1 ATOM 3396 C CB . GLU B 2 105 ? -50.187 29.033 -35.721 1.00 28.63 ? 434 GLU B CB 1 ATOM 3397 C CG . GLU B 2 105 ? -51.070 28.554 -36.845 1.00 35.64 ? 434 GLU B CG 1 ATOM 3398 C CD . GLU B 2 105 ? -52.189 27.673 -36.351 1.00 46.70 ? 434 GLU B CD 1 ATOM 3399 O OE1 . GLU B 2 105 ? -52.057 27.141 -35.230 1.00 47.93 ? 434 GLU B OE1 1 ATOM 3400 O OE2 . GLU B 2 105 ? -53.205 27.523 -37.071 1.00 50.37 ? 434 GLU B OE2 1 ATOM 3401 N N . ARG B 2 106 ? -50.329 32.076 -36.469 1.00 24.64 ? 435 ARG B N 1 ATOM 3402 C CA . ARG B 2 106 ? -51.014 33.101 -37.233 1.00 28.38 ? 435 ARG B CA 1 ATOM 3403 C C . ARG B 2 106 ? -50.021 34.068 -37.871 1.00 25.30 ? 435 ARG B C 1 ATOM 3404 O O . ARG B 2 106 ? -50.286 34.609 -38.934 1.00 22.98 ? 435 ARG B O 1 ATOM 3405 C CB . ARG B 2 106 ? -52.015 33.853 -36.351 1.00 25.45 ? 435 ARG B CB 1 ATOM 3406 C CG . ARG B 2 106 ? -53.020 32.934 -35.672 1.00 32.13 ? 435 ARG B CG 1 ATOM 3407 C CD . ARG B 2 106 ? -53.988 33.700 -34.799 1.00 35.50 ? 435 ARG B CD 1 ATOM 3408 N NE . ARG B 2 106 ? -54.754 34.630 -35.607 1.00 45.45 ? 435 ARG B NE 1 ATOM 3409 C CZ . ARG B 2 106 ? -54.600 35.947 -35.592 1.00 45.40 ? 435 ARG B CZ 1 ATOM 3410 N NH1 . ARG B 2 106 ? -53.707 36.520 -34.780 1.00 40.12 ? 435 ARG B NH1 1 ATOM 3411 N NH2 . ARG B 2 106 ? -55.355 36.685 -36.393 1.00 39.72 ? 435 ARG B NH2 1 ATOM 3412 N N . THR B 2 107 ? -48.880 34.279 -37.220 1.00 26.10 ? 436 THR B N 1 ATOM 3413 C CA . THR B 2 107 ? -47.835 35.125 -37.779 1.00 24.09 ? 436 THR B CA 1 ATOM 3414 C C . THR B 2 107 ? -47.281 34.522 -39.076 1.00 26.17 ? 436 THR B C 1 ATOM 3415 O O . THR B 2 107 ? -47.105 35.229 -40.072 1.00 24.52 ? 436 THR B O 1 ATOM 3416 C CB . THR B 2 107 ? -46.703 35.345 -36.772 1.00 25.94 ? 436 THR B CB 1 ATOM 3417 O OG1 . THR B 2 107 ? -47.171 36.204 -35.727 1.00 23.37 ? 436 THR B OG1 1 ATOM 3418 C CG2 . THR B 2 107 ? -45.480 35.985 -37.439 1.00 21.21 ? 436 THR B CG2 1 ATOM 3419 N N . LEU B 2 108 ? -47.042 33.215 -39.081 1.00 27.61 ? 437 LEU B N 1 ATOM 3420 C CA . LEU B 2 108 ? -46.515 32.564 -40.275 1.00 28.21 ? 437 LEU B CA 1 ATOM 3421 C C . LEU B 2 108 ? -47.526 32.615 -41.415 1.00 27.77 ? 437 LEU B C 1 ATOM 3422 O O . LEU B 2 108 ? -47.139 32.785 -42.576 1.00 29.40 ? 437 LEU B O 1 ATOM 3423 C CB . LEU B 2 108 ? -46.114 31.116 -39.981 1.00 23.16 ? 437 LEU B CB 1 ATOM 3424 C CG . LEU B 2 108 ? -45.085 30.917 -38.866 1.00 33.48 ? 437 LEU B CG 1 ATOM 3425 C CD1 . LEU B 2 108 ? -44.585 29.486 -38.876 1.00 38.36 ? 437 LEU B CD1 1 ATOM 3426 C CD2 . LEU B 2 108 ? -43.913 31.907 -38.936 1.00 30.34 ? 437 LEU B CD2 1 ATOM 3427 N N . ASP B 2 109 ? -48.814 32.476 -41.077 1.00 28.60 ? 438 ASP B N 1 ATOM 3428 C CA . ASP B 2 109 ? -49.911 32.606 -42.051 1.00 27.78 ? 438 ASP B CA 1 ATOM 3429 C C . ASP B 2 109 ? -49.982 34.009 -42.628 1.00 26.60 ? 438 ASP B C 1 ATOM 3430 O O . ASP B 2 109 ? -50.308 34.191 -43.799 1.00 25.04 ? 438 ASP B O 1 ATOM 3431 C CB . ASP B 2 109 ? -51.265 32.282 -41.417 1.00 31.78 ? 438 ASP B CB 1 ATOM 3432 C CG . ASP B 2 109 ? -51.444 30.807 -41.119 1.00 38.07 ? 438 ASP B CG 1 ATOM 3433 O OD1 . ASP B 2 109 ? -50.814 29.982 -41.808 1.00 39.22 ? 438 ASP B OD1 1 ATOM 3434 O OD2 . ASP B 2 109 ? -52.229 30.476 -40.192 1.00 49.04 ? 438 ASP B OD2 1 ATOM 3435 N N . LEU B 2 110 ? -49.705 34.996 -41.783 1.00 24.06 ? 439 LEU B N 1 ATOM 3436 C CA . LEU B 2 110 ? -49.702 36.386 -42.201 1.00 28.11 ? 439 LEU B CA 1 ATOM 3437 C C . LEU B 2 110 ? -48.671 36.620 -43.306 1.00 28.07 ? 439 LEU B C 1 ATOM 3438 O O . LEU B 2 110 ? -48.988 37.193 -44.350 1.00 26.51 ? 439 LEU B O 1 ATOM 3439 C CB . LEU B 2 110 ? -49.426 37.310 -41.008 1.00 28.81 ? 439 LEU B CB 1 ATOM 3440 C CG . LEU B 2 110 ? -49.232 38.779 -41.390 1.00 28.32 ? 439 LEU B CG 1 ATOM 3441 C CD1 . LEU B 2 110 ? -50.530 39.364 -41.897 1.00 37.18 ? 439 LEU B CD1 1 ATOM 3442 C CD2 . LEU B 2 110 ? -48.739 39.574 -40.220 1.00 36.10 ? 439 LEU B CD2 1 ATOM 3443 N N . HIS B 2 111 ? -47.441 36.163 -43.072 1.00 23.65 ? 440 HIS B N 1 ATOM 3444 C CA . HIS B 2 111 ? -46.374 36.278 -44.061 1.00 23.91 ? 440 HIS B CA 1 ATOM 3445 C C . HIS B 2 111 ? -46.728 35.530 -45.330 1.00 23.92 ? 440 HIS B C 1 ATOM 3446 O O . HIS B 2 111 ? -46.512 36.019 -46.436 1.00 23.91 ? 440 HIS B O 1 ATOM 3447 C CB . HIS B 2 111 ? -45.061 35.744 -43.508 1.00 20.46 ? 440 HIS B CB 1 ATOM 3448 C CG . HIS B 2 111 ? -44.499 36.571 -42.396 1.00 22.42 ? 440 HIS B CG 1 ATOM 3449 N ND1 . HIS B 2 111 ? -44.215 37.906 -42.541 1.00 24.53 ? 440 HIS B ND1 1 ATOM 3450 C CD2 . HIS B 2 111 ? -44.164 36.238 -41.127 1.00 23.83 ? 440 HIS B CD2 1 ATOM 3451 C CE1 . HIS B 2 111 ? -43.727 38.373 -41.400 1.00 24.23 ? 440 HIS B CE1 1 ATOM 3452 N NE2 . HIS B 2 111 ? -43.688 37.385 -40.532 1.00 25.63 ? 440 HIS B NE2 1 ATOM 3453 N N . ASP B 2 112 ? -47.264 34.333 -45.151 1.00 25.40 ? 441 ASP B N 1 ATOM 3454 C CA . ASP B 2 112 ? -47.708 33.509 -46.254 1.00 25.07 ? 441 ASP B CA 1 ATOM 3455 C C . ASP B 2 112 ? -48.782 34.231 -47.088 1.00 27.27 ? 441 ASP B C 1 ATOM 3456 O O . ASP B 2 112 ? -48.717 34.241 -48.311 1.00 31.36 ? 441 ASP B O 1 ATOM 3457 C CB . ASP B 2 112 ? -48.211 32.167 -45.709 1.00 25.91 ? 441 ASP B CB 1 ATOM 3458 C CG . ASP B 2 112 ? -48.529 31.171 -46.801 1.00 33.37 ? 441 ASP B CG 1 ATOM 3459 O OD1 . ASP B 2 112 ? -48.128 31.387 -47.977 1.00 31.82 ? 441 ASP B OD1 1 ATOM 3460 O OD2 . ASP B 2 112 ? -49.190 30.162 -46.472 1.00 37.43 ? 441 ASP B OD2 1 ATOM 3461 N N . ALA B 2 113 ? -49.746 34.862 -46.429 1.00 23.04 ? 442 ALA B N 1 ATOM 3462 C CA . ALA B 2 113 ? -50.766 35.627 -47.140 1.00 26.13 ? 442 ALA B CA 1 ATOM 3463 C C . ALA B 2 113 ? -50.169 36.805 -47.896 1.00 25.58 ? 442 ALA B C 1 ATOM 3464 O O . ALA B 2 113 ? -50.586 37.101 -49.015 1.00 28.41 ? 442 ALA B O 1 ATOM 3465 C CB . ALA B 2 113 ? -51.850 36.126 -46.168 1.00 20.64 ? 442 ALA B CB 1 ATOM 3466 N N . ASN B 2 114 ? -49.216 37.496 -47.279 1.00 25.21 ? 443 ASN B N 1 ATOM 3467 C CA . ASN B 2 114 ? -48.632 38.684 -47.902 1.00 27.99 ? 443 ASN B CA 1 ATOM 3468 C C . ASN B 2 114 ? -47.837 38.367 -49.174 1.00 26.30 ? 443 ASN B C 1 ATOM 3469 O O . ASN B 2 114 ? -47.872 39.125 -50.143 1.00 28.62 ? 443 ASN B O 1 ATOM 3470 C CB . ASN B 2 114 ? -47.757 39.429 -46.899 1.00 23.73 ? 443 ASN B CB 1 ATOM 3471 C CG . ASN B 2 114 ? -48.566 40.028 -45.768 1.00 24.22 ? 443 ASN B CG 1 ATOM 3472 O OD1 . ASN B 2 114 ? -49.724 40.377 -45.950 1.00 25.52 ? 443 ASN B OD1 1 ATOM 3473 N ND2 . ASN B 2 114 ? -47.963 40.135 -44.589 1.00 27.94 ? 443 ASN B ND2 1 ATOM 3474 N N . VAL B 2 115 ? -47.140 37.237 -49.178 1.00 23.43 ? 444 VAL B N 1 ATOM 3475 C CA . VAL B 2 115 ? -46.434 36.800 -50.373 1.00 25.96 ? 444 VAL B CA 1 ATOM 3476 C C . VAL B 2 115 ? -47.450 36.458 -51.459 1.00 28.87 ? 444 VAL B C 1 ATOM 3477 O O . VAL B 2 115 ? -47.306 36.864 -52.605 1.00 28.63 ? 444 VAL B O 1 ATOM 3478 C CB . VAL B 2 115 ? -45.531 35.591 -50.076 1.00 24.38 ? 444 VAL B CB 1 ATOM 3479 C CG1 . VAL B 2 115 ? -45.034 34.948 -51.361 1.00 19.49 ? 444 VAL B CG1 1 ATOM 3480 C CG2 . VAL B 2 115 ? -44.372 36.018 -49.193 1.00 22.47 ? 444 VAL B CG2 1 ATOM 3481 N N . LYS B 2 116 ? -48.490 35.724 -51.079 1.00 26.88 ? 445 LYS B N 1 ATOM 3482 C CA . LYS B 2 116 ? -49.573 35.404 -51.987 1.00 24.17 ? 445 LYS B CA 1 ATOM 3483 C C . LYS B 2 116 ? -50.181 36.656 -52.624 1.00 28.21 ? 445 LYS B C 1 ATOM 3484 O O . LYS B 2 116 ? -50.351 36.705 -53.839 1.00 28.86 ? 445 LYS B O 1 ATOM 3485 C CB . LYS B 2 116 ? -50.650 34.606 -51.251 1.00 24.95 ? 445 LYS B CB 1 ATOM 3486 C CG . LYS B 2 116 ? -51.832 34.187 -52.091 1.00 28.02 ? 445 LYS B CG 1 ATOM 3487 C CD . LYS B 2 116 ? -51.453 33.099 -53.084 1.00 41.11 ? 445 LYS B CD 1 ATOM 3488 C CE . LYS B 2 116 ? -52.667 32.649 -53.886 1.00 45.26 ? 445 LYS B CE 1 ATOM 3489 N NZ . LYS B 2 116 ? -53.623 31.923 -53.009 1.00 46.31 ? 445 LYS B NZ 1 ATOM 3490 N N . ASN B 2 117 ? -50.499 37.669 -51.820 1.00 30.30 ? 446 ASN B N 1 ATOM 3491 C CA . ASN B 2 117 ? -51.141 38.870 -52.351 1.00 32.20 ? 446 ASN B CA 1 ATOM 3492 C C . ASN B 2 117 ? -50.188 39.649 -53.259 1.00 33.24 ? 446 ASN B C 1 ATOM 3493 O O . ASN B 2 117 ? -50.592 40.210 -54.279 1.00 35.12 ? 446 ASN B O 1 ATOM 3494 C CB . ASN B 2 117 ? -51.666 39.761 -51.217 1.00 25.50 ? 446 ASN B CB 1 ATOM 3495 C CG . ASN B 2 117 ? -52.757 39.063 -50.384 1.00 39.82 ? 446 ASN B CG 1 ATOM 3496 O OD1 . ASN B 2 117 ? -53.592 38.334 -50.923 1.00 42.92 ? 446 ASN B OD1 1 ATOM 3497 N ND2 . ASN B 2 117 ? -52.729 39.262 -49.068 1.00 36.25 ? 446 ASN B ND2 1 ATOM 3498 N N . LEU B 2 118 ? -48.916 39.652 -52.898 1.00 26.55 ? 447 LEU B N 1 ATOM 3499 C CA . LEU B 2 118 ? -47.903 40.302 -53.701 1.00 28.53 ? 447 LEU B CA 1 ATOM 3500 C C . LEU B 2 118 ? -47.835 39.644 -55.077 1.00 33.86 ? 447 LEU B C 1 ATOM 3501 O O . LEU B 2 118 ? -47.789 40.321 -56.112 1.00 34.56 ? 447 LEU B O 1 ATOM 3502 C CB . LEU B 2 118 ? -46.557 40.235 -52.993 1.00 30.49 ? 447 LEU B CB 1 ATOM 3503 C CG . LEU B 2 118 ? -45.463 41.086 -53.614 1.00 37.96 ? 447 LEU B CG 1 ATOM 3504 C CD1 . LEU B 2 118 ? -45.957 42.521 -53.731 1.00 34.06 ? 447 LEU B CD1 1 ATOM 3505 C CD2 . LEU B 2 118 ? -44.195 40.987 -52.761 1.00 34.13 ? 447 LEU B CD2 1 ATOM 3506 N N . TYR B 2 119 ? -47.850 38.315 -55.078 1.00 26.36 ? 448 TYR B N 1 ATOM 3507 C CA . TYR B 2 119 ? -47.908 37.553 -56.314 1.00 26.61 ? 448 TYR B CA 1 ATOM 3508 C C . TYR B 2 119 ? -49.176 37.883 -57.135 1.00 28.89 ? 448 TYR B C 1 ATOM 3509 O O . TYR B 2 119 ? -49.116 38.002 -58.356 1.00 29.41 ? 448 TYR B O 1 ATOM 3510 C CB . TYR B 2 119 ? -47.833 36.050 -56.006 1.00 21.71 ? 448 TYR B CB 1 ATOM 3511 C CG . TYR B 2 119 ? -48.362 35.186 -57.122 1.00 28.06 ? 448 TYR B CG 1 ATOM 3512 C CD1 . TYR B 2 119 ? -47.555 34.843 -58.206 1.00 31.61 ? 448 TYR B CD1 1 ATOM 3513 C CD2 . TYR B 2 119 ? -49.674 34.723 -57.106 1.00 31.80 ? 448 TYR B CD2 1 ATOM 3514 C CE1 . TYR B 2 119 ? -48.039 34.064 -59.241 1.00 31.28 ? 448 TYR B CE1 1 ATOM 3515 C CE2 . TYR B 2 119 ? -50.167 33.946 -58.135 1.00 35.99 ? 448 TYR B CE2 1 ATOM 3516 C CZ . TYR B 2 119 ? -49.347 33.620 -59.198 1.00 35.68 ? 448 TYR B CZ 1 ATOM 3517 O OH . TYR B 2 119 ? -49.846 32.849 -60.216 1.00 38.80 ? 448 TYR B OH 1 ATOM 3518 N N . GLU B 2 120 ? -50.315 38.025 -56.461 1.00 33.08 ? 449 GLU B N 1 ATOM 3519 C CA . GLU B 2 120 ? -51.569 38.360 -57.130 1.00 34.84 ? 449 GLU B CA 1 ATOM 3520 C C . GLU B 2 120 ? -51.559 39.772 -57.725 1.00 32.82 ? 449 GLU B C 1 ATOM 3521 O O . GLU B 2 120 ? -52.107 39.995 -58.791 1.00 37.83 ? 449 GLU B O 1 ATOM 3522 C CB . GLU B 2 120 ? -52.752 38.225 -56.162 1.00 35.57 ? 449 GLU B CB 1 ATOM 3523 C CG . GLU B 2 120 ? -52.994 36.822 -55.629 1.00 38.82 ? 449 GLU B CG 1 ATOM 3524 C CD . GLU B 2 120 ? -53.451 35.845 -56.693 1.00 49.71 ? 449 GLU B CD 1 ATOM 3525 O OE1 . GLU B 2 120 ? -53.764 36.283 -57.822 1.00 60.59 ? 449 GLU B OE1 1 ATOM 3526 O OE2 . GLU B 2 120 ? -53.500 34.628 -56.404 1.00 55.02 ? 449 GLU B OE2 1 ATOM 3527 N N . LYS B 2 121 ? -50.951 40.718 -57.022 1.00 30.02 ? 450 LYS B N 1 ATOM 3528 C CA . LYS B 2 121 ? -50.852 42.094 -57.491 1.00 36.77 ? 450 LYS B CA 1 ATOM 3529 C C . LYS B 2 121 ? -50.107 42.174 -58.819 1.00 39.21 ? 450 LYS B C 1 ATOM 3530 O O . LYS B 2 121 ? -50.411 43.011 -59.669 1.00 41.78 ? 450 LYS B O 1 ATOM 3531 C CB . LYS B 2 121 ? -50.138 42.974 -56.460 1.00 35.12 ? 450 LYS B CB 1 ATOM 3532 C CG . LYS B 2 121 ? -51.023 43.599 -55.399 1.00 35.73 ? 450 LYS B CG 1 ATOM 3533 C CD . LYS B 2 121 ? -50.185 44.461 -54.430 1.00 49.75 ? 450 LYS B CD 1 ATOM 3534 C CE . LYS B 2 121 ? -49.933 45.885 -54.946 1.00 60.61 ? 450 LYS B CE 1 ATOM 3535 N NZ . LYS B 2 121 ? -49.001 45.987 -56.121 1.00 58.40 ? 450 LYS B NZ 1 ATOM 3536 N N . VAL B 2 122 ? -49.126 41.298 -58.987 1.00 32.25 ? 451 VAL B N 1 ATOM 3537 C CA . VAL B 2 122 ? -48.293 41.317 -60.176 1.00 38.08 ? 451 VAL B CA 1 ATOM 3538 C C . VAL B 2 122 ? -48.998 40.610 -61.329 1.00 39.24 ? 451 VAL B C 1 ATOM 3539 O O . VAL B 2 122 ? -49.015 41.113 -62.454 1.00 39.35 ? 451 VAL B O 1 ATOM 3540 C CB . VAL B 2 122 ? -46.912 40.675 -59.895 1.00 36.72 ? 451 VAL B CB 1 ATOM 3541 C CG1 . VAL B 2 122 ? -46.126 40.458 -61.182 1.00 33.51 ? 451 VAL B CG1 1 ATOM 3542 C CG2 . VAL B 2 122 ? -46.133 41.547 -58.923 1.00 34.75 ? 451 VAL B CG2 1 ATOM 3543 N N . LYS B 2 123 ? -49.595 39.458 -61.036 1.00 35.75 ? 452 LYS B N 1 ATOM 3544 C CA . LYS B 2 123 ? -50.340 38.710 -62.037 1.00 38.18 ? 452 LYS B CA 1 ATOM 3545 C C . LYS B 2 123 ? -51.482 39.543 -62.596 1.00 39.84 ? 452 LYS B C 1 ATOM 3546 O O . LYS B 2 123 ? -51.790 39.482 -63.785 1.00 44.47 ? 452 LYS B O 1 ATOM 3547 C CB . LYS B 2 123 ? -50.883 37.407 -61.456 1.00 33.71 ? 452 LYS B CB 1 ATOM 3548 C CG . LYS B 2 123 ? -51.937 36.762 -62.335 1.00 36.83 ? 452 LYS B CG 1 ATOM 3549 C CD . LYS B 2 123 ? -52.111 35.294 -62.028 1.00 44.84 ? 452 LYS B CD 1 ATOM 3550 C CE . LYS B 2 123 ? -52.164 34.494 -63.330 1.00 54.12 ? 452 LYS B CE 1 ATOM 3551 N NZ . LYS B 2 123 ? -51.846 33.048 -63.144 1.00 58.40 ? 452 LYS B NZ 1 ATOM 3552 N N . SER B 2 124 ? -52.101 40.330 -61.728 1.00 39.18 ? 453 SER B N 1 ATOM 3553 C CA . SER B 2 124 ? -53.235 41.152 -62.119 1.00 40.59 ? 453 SER B CA 1 ATOM 3554 C C . SER B 2 124 ? -52.834 42.279 -63.078 1.00 40.84 ? 453 SER B C 1 ATOM 3555 O O . SER B 2 124 ? -53.612 42.668 -63.940 1.00 42.55 ? 453 SER B O 1 ATOM 3556 C CB . SER B 2 124 ? -53.905 41.734 -60.878 1.00 32.08 ? 453 SER B CB 1 ATOM 3557 O OG . SER B 2 124 ? -54.767 42.795 -61.237 1.00 44.09 ? 453 SER B OG 1 ATOM 3558 N N . GLN B 2 125 ? -51.625 42.806 -62.916 1.00 42.78 ? 454 GLN B N 1 ATOM 3559 C CA . GLN B 2 125 ? -51.132 43.874 -63.778 1.00 42.19 ? 454 GLN B CA 1 ATOM 3560 C C . GLN B 2 125 ? -50.723 43.395 -65.163 1.00 48.63 ? 454 GLN B C 1 ATOM 3561 O O . GLN B 2 125 ? -50.939 44.098 -66.154 1.00 50.93 ? 454 GLN B O 1 ATOM 3562 C CB . GLN B 2 125 ? -49.931 44.565 -63.148 1.00 44.56 ? 454 GLN B CB 1 ATOM 3563 C CG . GLN B 2 125 ? -50.244 45.474 -62.006 1.00 42.49 ? 454 GLN B CG 1 ATOM 3564 C CD . GLN B 2 125 ? -49.019 46.237 -61.566 1.00 51.93 ? 454 GLN B CD 1 ATOM 3565 O OE1 . GLN B 2 125 ? -48.876 47.425 -61.863 1.00 55.00 ? 454 GLN B OE1 1 ATOM 3566 N NE2 . GLN B 2 125 ? -48.117 45.557 -60.862 1.00 43.82 ? 454 GLN B NE2 1 ATOM 3567 N N . LEU B 2 126 ? -50.117 42.211 -65.228 1.00 45.21 ? 455 LEU B N 1 ATOM 3568 C CA . LEU B 2 126 ? -49.452 41.770 -66.451 1.00 49.29 ? 455 LEU B CA 1 ATOM 3569 C C . LEU B 2 126 ? -50.432 41.154 -67.431 1.00 48.53 ? 455 LEU B C 1 ATOM 3570 O O . LEU B 2 126 ? -50.373 41.440 -68.624 1.00 53.71 ? 455 LEU B O 1 ATOM 3571 C CB . LEU B 2 126 ? -48.327 40.781 -66.130 1.00 41.46 ? 455 LEU B CB 1 ATOM 3572 C CG . LEU B 2 126 ? -47.243 41.308 -65.187 1.00 42.07 ? 455 LEU B CG 1 ATOM 3573 C CD1 . LEU B 2 126 ? -46.075 40.331 -65.082 1.00 38.84 ? 455 LEU B CD1 1 ATOM 3574 C CD2 . LEU B 2 126 ? -46.763 42.686 -65.623 1.00 40.86 ? 455 LEU B CD2 1 ATOM 3575 N N . ARG B 2 127 ? -51.326 40.311 -66.920 1.00 55.70 ? 456 ARG B N 1 ATOM 3576 C CA . ARG B 2 127 ? -52.377 39.693 -67.724 1.00 55.28 ? 456 ARG B CA 1 ATOM 3577 C C . ARG B 2 127 ? -51.807 38.846 -68.855 1.00 59.14 ? 456 ARG B C 1 ATOM 3578 O O . ARG B 2 127 ? -51.029 37.916 -68.631 1.00 60.66 ? 456 ARG B O 1 ATOM 3579 C CB . ARG B 2 127 ? -53.298 40.757 -68.330 1.00 57.80 ? 456 ARG B CB 1 ATOM 3580 C CG . ARG B 2 127 ? -53.753 41.860 -67.397 1.00 61.15 ? 456 ARG B CG 1 ATOM 3581 C CD . ARG B 2 127 ? -54.750 42.741 -68.136 1.00 67.07 ? 456 ARG B CD 1 ATOM 3582 N NE . ARG B 2 127 ? -55.896 43.092 -67.309 1.00 67.12 ? 456 ARG B NE 1 ATOM 3583 C CZ . ARG B 2 127 ? -57.122 43.283 -67.780 1.00 61.72 ? 456 ARG B CZ 1 ATOM 3584 N NH1 . ARG B 2 127 ? -57.373 43.122 -69.071 1.00 64.73 ? 456 ARG B NH1 1 ATOM 3585 N NH2 . ARG B 2 127 ? -58.103 43.605 -66.951 1.00 68.13 ? 456 ARG B NH2 1 ATOM 3586 N N . ASP B 2 128 ? -52.219 39.197 -70.074 1.00 66.00 ? 457 ASP B N 1 ATOM 3587 C CA . ASP B 2 128 ? -51.774 38.568 -71.318 1.00 65.22 ? 457 ASP B CA 1 ATOM 3588 C C . ASP B 2 128 ? -50.283 38.724 -71.573 1.00 57.99 ? 457 ASP B C 1 ATOM 3589 O O . ASP B 2 128 ? -49.660 37.856 -72.180 1.00 59.28 ? 457 ASP B O 1 ATOM 3590 C CB . ASP B 2 128 ? -52.513 39.173 -72.517 1.00 67.24 ? 457 ASP B CB 1 ATOM 3591 C CG . ASP B 2 128 ? -53.972 38.820 -72.547 1.00 77.15 ? 457 ASP B CG 1 ATOM 3592 O OD1 . ASP B 2 128 ? -54.776 39.587 -71.971 1.00 82.69 ? 457 ASP B OD1 1 ATOM 3593 O OD2 . ASP B 2 128 ? -54.313 37.783 -73.157 1.00 87.02 ? 457 ASP B OD2 1 ATOM 3594 N N . ASN B 2 129 ? -49.728 39.849 -71.129 1.00 44.66 ? 458 ASN B N 1 ATOM 3595 C CA . ASN B 2 129 ? -48.390 40.274 -71.536 1.00 47.25 ? 458 ASN B CA 1 ATOM 3596 C C . ASN B 2 129 ? -47.237 39.492 -70.915 1.00 44.06 ? 458 ASN B C 1 ATOM 3597 O O . ASN B 2 129 ? -46.076 39.722 -71.254 1.00 41.26 ? 458 ASN B O 1 ATOM 3598 C CB . ASN B 2 129 ? -48.218 41.766 -71.243 1.00 43.79 ? 458 ASN B CB 1 ATOM 3599 C CG . ASN B 2 129 ? -48.982 42.630 -72.226 1.00 47.58 ? 458 ASN B CG 1 ATOM 3600 O OD1 . ASN B 2 129 ? -49.453 42.136 -73.245 1.00 49.72 ? 458 ASN B OD1 1 ATOM 3601 N ND2 . ASN B 2 129 ? -49.095 43.920 -71.938 1.00 52.90 ? 458 ASN B ND2 1 ATOM 3602 N N . ALA B 2 130 ? -47.550 38.565 -70.017 1.00 48.13 ? 459 ALA B N 1 ATOM 3603 C CA . ALA B 2 130 ? -46.520 37.701 -69.453 1.00 46.40 ? 459 ALA B CA 1 ATOM 3604 C C . ALA B 2 130 ? -47.039 36.282 -69.292 1.00 45.73 ? 459 ALA B C 1 ATOM 3605 O O . ALA B 2 130 ? -48.246 36.060 -69.236 1.00 45.72 ? 459 ALA B O 1 ATOM 3606 C CB . ALA B 2 130 ? -46.031 38.247 -68.120 1.00 41.18 ? 459 ALA B CB 1 ATOM 3607 N N . ASN B 2 131 ? -46.113 35.330 -69.238 1.00 44.54 ? 460 ASN B N 1 ATOM 3608 C CA . ASN B 2 131 ? -46.424 33.925 -68.997 1.00 41.40 ? 460 ASN B CA 1 ATOM 3609 C C . ASN B 2 131 ? -46.145 33.554 -67.538 1.00 45.32 ? 460 ASN B C 1 ATOM 3610 O O . ASN B 2 131 ? -45.016 33.676 -67.058 1.00 43.10 ? 460 ASN B O 1 ATOM 3611 C CB . ASN B 2 131 ? -45.611 33.041 -69.949 1.00 44.72 ? 460 ASN B CB 1 ATOM 3612 C CG . ASN B 2 131 ? -45.813 31.553 -69.701 1.00 49.95 ? 460 ASN B CG 1 ATOM 3613 O OD1 . ASN B 2 131 ? -46.870 31.119 -69.251 1.00 55.04 ? 460 ASN B OD1 1 ATOM 3614 N ND2 . ASN B 2 131 ? -44.796 30.763 -70.016 1.00 55.82 ? 460 ASN B ND2 1 ATOM 3615 N N . ASP B 2 132 ? -47.183 33.126 -66.828 1.00 51.57 ? 461 ASP B N 1 ATOM 3616 C CA . ASP B 2 132 ? -47.046 32.704 -65.439 1.00 42.11 ? 461 ASP B CA 1 ATOM 3617 C C . ASP B 2 132 ? -46.452 31.303 -65.397 1.00 42.65 ? 461 ASP B C 1 ATOM 3618 O O . ASP B 2 132 ? -47.102 30.346 -65.798 1.00 43.64 ? 461 ASP B O 1 ATOM 3619 C CB . ASP B 2 132 ? -48.409 32.749 -64.738 1.00 42.53 ? 461 ASP B CB 1 ATOM 3620 C CG . ASP B 2 132 ? -48.338 32.383 -63.255 1.00 44.51 ? 461 ASP B CG 1 ATOM 3621 O OD1 . ASP B 2 132 ? -47.271 31.939 -62.773 1.00 42.03 ? 461 ASP B OD1 1 ATOM 3622 O OD2 . ASP B 2 132 ? -49.372 32.536 -62.569 1.00 39.99 ? 461 ASP B OD2 1 ATOM 3623 N N . LEU B 2 133 ? -45.226 31.181 -64.897 1.00 44.17 ? 462 LEU B N 1 ATOM 3624 C CA . LEU B 2 133 ? -44.534 29.891 -64.892 1.00 44.58 ? 462 LEU B CA 1 ATOM 3625 C C . LEU B 2 133 ? -44.953 28.948 -63.762 1.00 43.88 ? 462 LEU B C 1 ATOM 3626 O O . LEU B 2 133 ? -44.505 27.808 -63.725 1.00 47.61 ? 462 LEU B O 1 ATOM 3627 C CB . LEU B 2 133 ? -43.019 30.102 -64.827 1.00 46.63 ? 462 LEU B CB 1 ATOM 3628 C CG . LEU B 2 133 ? -42.343 30.696 -66.065 1.00 53.87 ? 462 LEU B CG 1 ATOM 3629 C CD1 . LEU B 2 133 ? -40.835 30.751 -65.877 1.00 52.28 ? 462 LEU B CD1 1 ATOM 3630 C CD2 . LEU B 2 133 ? -42.698 29.894 -67.306 1.00 49.03 ? 462 LEU B CD2 1 ATOM 3631 N N . GLY B 2 134 ? -45.792 29.416 -62.840 1.00 40.21 ? 463 GLY B N 1 ATOM 3632 C CA . GLY B 2 134 ? -46.309 28.561 -61.783 1.00 38.06 ? 463 GLY B CA 1 ATOM 3633 C C . GLY B 2 134 ? -45.496 28.521 -60.494 1.00 40.82 ? 463 GLY B C 1 ATOM 3634 O O . GLY B 2 134 ? -45.861 27.824 -59.540 1.00 38.13 ? 463 GLY B O 1 ATOM 3635 N N . ASN B 2 135 ? -44.398 29.274 -60.464 1.00 37.09 ? 464 ASN B N 1 ATOM 3636 C CA . ASN B 2 135 ? -43.480 29.273 -59.333 1.00 35.04 ? 464 ASN B CA 1 ATOM 3637 C C . ASN B 2 135 ? -43.196 30.681 -58.810 1.00 34.67 ? 464 ASN B C 1 ATOM 3638 O O . ASN B 2 135 ? -42.190 30.917 -58.145 1.00 34.20 ? 464 ASN B O 1 ATOM 3639 C CB . ASN B 2 135 ? -42.170 28.606 -59.733 1.00 38.27 ? 464 ASN B CB 1 ATOM 3640 C CG . ASN B 2 135 ? -41.512 29.298 -60.915 1.00 42.91 ? 464 ASN B CG 1 ATOM 3641 O OD1 . ASN B 2 135 ? -42.134 30.130 -61.584 1.00 39.98 ? 464 ASN B OD1 1 ATOM 3642 N ND2 . ASN B 2 135 ? -40.253 28.961 -61.178 1.00 36.16 ? 464 ASN B ND2 1 ATOM 3643 N N . GLY B 2 136 ? -44.080 31.617 -59.130 1.00 33.93 ? 465 GLY B N 1 ATOM 3644 C CA . GLY B 2 136 ? -43.880 33.001 -58.757 1.00 34.24 ? 465 GLY B CA 1 ATOM 3645 C C . GLY B 2 136 ? -43.104 33.819 -59.776 1.00 36.97 ? 465 GLY B C 1 ATOM 3646 O O . GLY B 2 136 ? -42.789 34.976 -59.523 1.00 38.59 ? 465 GLY B O 1 ATOM 3647 N N . CYS B 2 137 ? -42.792 33.229 -60.928 1.00 40.44 ? 466 CYS B N 1 ATOM 3648 C CA . CYS B 2 137 ? -42.072 33.954 -61.977 1.00 42.31 ? 466 CYS B CA 1 ATOM 3649 C C . CYS B 2 137 ? -42.954 34.216 -63.192 1.00 43.32 ? 466 CYS B C 1 ATOM 3650 O O . CYS B 2 137 ? -43.797 33.395 -63.554 1.00 44.57 ? 466 CYS B O 1 ATOM 3651 C CB . CYS B 2 137 ? -40.812 33.189 -62.399 1.00 41.70 ? 466 CYS B CB 1 ATOM 3652 S SG . CYS B 2 137 ? -39.548 33.066 -61.085 1.00 53.27 ? 466 CYS B SG 1 ATOM 3653 N N . PHE B 2 138 ? -42.759 35.372 -63.810 1.00 36.03 ? 467 PHE B N 1 ATOM 3654 C CA . PHE B 2 138 ? -43.478 35.721 -65.026 1.00 42.07 ? 467 PHE B CA 1 ATOM 3655 C C . PHE B 2 138 ? -42.498 35.994 -66.159 1.00 43.79 ? 467 PHE B C 1 ATOM 3656 O O . PHE B 2 138 ? -41.591 36.802 -66.002 1.00 40.94 ? 467 PHE B O 1 ATOM 3657 C CB . PHE B 2 138 ? -44.370 36.944 -64.797 1.00 39.90 ? 467 PHE B CB 1 ATOM 3658 C CG . PHE B 2 138 ? -45.425 36.737 -63.754 1.00 40.41 ? 467 PHE B CG 1 ATOM 3659 C CD1 . PHE B 2 138 ? -45.154 36.982 -62.417 1.00 40.58 ? 467 PHE B CD1 1 ATOM 3660 C CD2 . PHE B 2 138 ? -46.692 36.293 -64.107 1.00 42.47 ? 467 PHE B CD2 1 ATOM 3661 C CE1 . PHE B 2 138 ? -46.126 36.793 -61.456 1.00 37.40 ? 467 PHE B CE1 1 ATOM 3662 C CE2 . PHE B 2 138 ? -47.670 36.105 -63.148 1.00 39.81 ? 467 PHE B CE2 1 ATOM 3663 C CZ . PHE B 2 138 ? -47.386 36.351 -61.824 1.00 36.58 ? 467 PHE B CZ 1 ATOM 3664 N N . GLU B 2 139 ? -42.672 35.312 -67.290 1.00 52.43 ? 468 GLU B N 1 ATOM 3665 C CA . GLU B 2 139 ? -41.871 35.587 -68.483 1.00 46.38 ? 468 GLU B CA 1 ATOM 3666 C C . GLU B 2 139 ? -42.606 36.558 -69.399 1.00 45.80 ? 468 GLU B C 1 ATOM 3667 O O . GLU B 2 139 ? -43.680 36.241 -69.908 1.00 51.66 ? 468 GLU B O 1 ATOM 3668 C CB . GLU B 2 139 ? -41.546 34.298 -69.237 1.00 48.41 ? 468 GLU B CB 1 ATOM 3669 C CG . GLU B 2 139 ? -40.443 33.454 -68.607 1.00 58.97 ? 468 GLU B CG 1 ATOM 3670 C CD . GLU B 2 139 ? -40.165 32.175 -69.388 1.00 72.53 ? 468 GLU B CD 1 ATOM 3671 O OE1 . GLU B 2 139 ? -40.749 32.003 -70.484 1.00 73.32 ? 468 GLU B OE1 1 ATOM 3672 O OE2 . GLU B 2 139 ? -39.372 31.335 -68.901 1.00 74.38 ? 468 GLU B OE2 1 ATOM 3673 N N . PHE B 2 140 ? -42.032 37.739 -69.601 1.00 32.39 ? 469 PHE B N 1 ATOM 3674 C CA . PHE B 2 140 ? -42.636 38.752 -70.465 1.00 39.85 ? 469 PHE B CA 1 ATOM 3675 C C . PHE B 2 140 ? -42.638 38.364 -71.949 1.00 40.87 ? 469 PHE B C 1 ATOM 3676 O O . PHE B 2 140 ? -41.679 37.775 -72.444 1.00 42.53 ? 469 PHE B O 1 ATOM 3677 C CB . PHE B 2 140 ? -41.900 40.077 -70.310 1.00 41.98 ? 469 PHE B CB 1 ATOM 3678 C CG . PHE B 2 140 ? -42.145 40.762 -69.012 1.00 36.85 ? 469 PHE B CG 1 ATOM 3679 C CD1 . PHE B 2 140 ? -43.137 41.715 -68.901 1.00 36.50 ? 469 PHE B CD1 1 ATOM 3680 C CD2 . PHE B 2 140 ? -41.372 40.468 -67.905 1.00 36.50 ? 469 PHE B CD2 1 ATOM 3681 C CE1 . PHE B 2 140 ? -43.359 42.363 -67.703 1.00 39.90 ? 469 PHE B CE1 1 ATOM 3682 C CE2 . PHE B 2 140 ? -41.589 41.109 -66.703 1.00 37.34 ? 469 PHE B CE2 1 ATOM 3683 C CZ . PHE B 2 140 ? -42.583 42.058 -66.600 1.00 36.53 ? 469 PHE B CZ 1 ATOM 3684 N N . TRP B 2 141 ? -43.703 38.714 -72.662 1.00 42.48 ? 470 TRP B N 1 ATOM 3685 C CA . TRP B 2 141 ? -43.738 38.492 -74.107 1.00 52.53 ? 470 TRP B CA 1 ATOM 3686 C C . TRP B 2 141 ? -43.138 39.685 -74.847 1.00 58.78 ? 470 TRP B C 1 ATOM 3687 O O . TRP B 2 141 ? -42.947 39.648 -76.062 1.00 61.99 ? 470 TRP B O 1 ATOM 3688 C CB . TRP B 2 141 ? -45.165 38.224 -74.592 1.00 44.75 ? 470 TRP B CB 1 ATOM 3689 C CG . TRP B 2 141 ? -45.711 36.915 -74.093 1.00 53.47 ? 470 TRP B CG 1 ATOM 3690 C CD1 . TRP B 2 141 ? -46.771 36.738 -73.253 1.00 46.98 ? 470 TRP B CD1 1 ATOM 3691 C CD2 . TRP B 2 141 ? -45.209 35.603 -74.385 1.00 55.15 ? 470 TRP B CD2 1 ATOM 3692 N NE1 . TRP B 2 141 ? -46.965 35.400 -73.009 1.00 48.82 ? 470 TRP B NE1 1 ATOM 3693 C CE2 . TRP B 2 141 ? -46.020 34.680 -73.691 1.00 47.91 ? 470 TRP B CE2 1 ATOM 3694 C CE3 . TRP B 2 141 ? -44.155 35.116 -75.172 1.00 57.44 ? 470 TRP B CE3 1 ATOM 3695 C CZ2 . TRP B 2 141 ? -45.818 33.301 -73.757 1.00 55.89 ? 470 TRP B CZ2 1 ATOM 3696 C CZ3 . TRP B 2 141 ? -43.950 33.740 -75.240 1.00 56.09 ? 470 TRP B CZ3 1 ATOM 3697 C CH2 . TRP B 2 141 ? -44.779 32.850 -74.535 1.00 60.10 ? 470 TRP B CH2 1 ATOM 3698 N N . HIS B 2 142 ? -42.835 40.735 -74.094 1.00 52.87 ? 471 HIS B N 1 ATOM 3699 C CA . HIS B 2 142 ? -42.235 41.942 -74.640 1.00 51.75 ? 471 HIS B CA 1 ATOM 3700 C C . HIS B 2 142 ? -40.994 42.314 -73.838 1.00 58.59 ? 471 HIS B C 1 ATOM 3701 O O . HIS B 2 142 ? -40.830 41.865 -72.703 1.00 56.46 ? 471 HIS B O 1 ATOM 3702 C CB . HIS B 2 142 ? -43.237 43.091 -74.608 1.00 52.64 ? 471 HIS B CB 1 ATOM 3703 C CG . HIS B 2 142 ? -43.691 43.447 -73.227 1.00 55.85 ? 471 HIS B CG 1 ATOM 3704 N ND1 . HIS B 2 142 ? -43.009 44.340 -72.427 1.00 54.73 ? 471 HIS B ND1 1 ATOM 3705 C CD2 . HIS B 2 142 ? -44.751 43.022 -72.497 1.00 51.81 ? 471 HIS B CD2 1 ATOM 3706 C CE1 . HIS B 2 142 ? -43.634 44.457 -71.268 1.00 51.99 ? 471 HIS B CE1 1 ATOM 3707 N NE2 . HIS B 2 142 ? -44.694 43.668 -71.285 1.00 53.04 ? 471 HIS B NE2 1 ATOM 3708 N N . LYS B 2 143 ? -40.127 43.141 -74.416 1.00 54.02 ? 472 LYS B N 1 ATOM 3709 C CA . LYS B 2 143 ? -38.956 43.618 -73.688 1.00 54.20 ? 472 LYS B CA 1 ATOM 3710 C C . LYS B 2 143 ? -39.375 44.507 -72.519 1.00 55.32 ? 472 LYS B C 1 ATOM 3711 O O . LYS B 2 143 ? -40.190 45.425 -72.669 1.00 48.44 ? 472 LYS B O 1 ATOM 3712 C CB . LYS B 2 143 ? -37.996 44.373 -74.617 1.00 52.46 ? 472 LYS B CB 1 ATOM 3713 C CG . LYS B 2 143 ? -37.154 43.459 -75.501 1.00 55.65 ? 472 LYS B CG 1 ATOM 3714 C CD . LYS B 2 143 ? -36.303 42.511 -74.666 1.00 55.46 ? 472 LYS B CD 1 ATOM 3715 C CE . LYS B 2 143 ? -35.716 41.379 -75.507 1.00 64.43 ? 472 LYS B CE 1 ATOM 3716 N NZ . LYS B 2 143 ? -34.817 41.853 -76.603 1.00 67.11 ? 472 LYS B NZ 1 ATOM 3717 N N . CYS B 2 144 ? -38.814 44.220 -71.349 1.00 54.43 ? 473 CYS B N 1 ATOM 3718 C CA . CYS B 2 144 ? -39.128 44.977 -70.150 1.00 52.67 ? 473 CYS B CA 1 ATOM 3719 C C . CYS B 2 144 ? -37.846 45.534 -69.540 1.00 54.92 ? 473 CYS B C 1 ATOM 3720 O O . CYS B 2 144 ? -37.141 44.826 -68.807 1.00 53.03 ? 473 CYS B O 1 ATOM 3721 C CB . CYS B 2 144 ? -39.875 44.089 -69.138 1.00 52.09 ? 473 CYS B CB 1 ATOM 3722 S SG . CYS B 2 144 ? -40.597 44.968 -67.722 1.00 56.14 ? 473 CYS B SG 1 ATOM 3723 N N . ASP B 2 145 ? -37.539 46.796 -69.842 1.00 48.21 ? 474 ASP B N 1 ATOM 3724 C CA . ASP B 2 145 ? -36.328 47.421 -69.311 1.00 49.10 ? 474 ASP B CA 1 ATOM 3725 C C . ASP B 2 145 ? -36.516 47.788 -67.829 1.00 47.34 ? 474 ASP B C 1 ATOM 3726 O O . ASP B 2 145 ? -37.453 47.319 -67.187 1.00 44.68 ? 474 ASP B O 1 ATOM 3727 C CB . ASP B 2 145 ? -35.923 48.649 -70.148 1.00 44.15 ? 474 ASP B CB 1 ATOM 3728 C CG . ASP B 2 145 ? -37.005 49.719 -70.217 1.00 52.98 ? 474 ASP B CG 1 ATOM 3729 O OD1 . ASP B 2 145 ? -37.969 49.683 -69.423 1.00 57.26 ? 474 ASP B OD1 1 ATOM 3730 O OD2 . ASP B 2 145 ? -36.873 50.629 -71.066 1.00 52.36 ? 474 ASP B OD2 1 ATOM 3731 N N . ASN B 2 146 ? -35.632 48.623 -67.291 1.00 49.78 ? 475 ASN B N 1 ATOM 3732 C CA . ASN B 2 146 ? -35.641 48.920 -65.858 1.00 47.76 ? 475 ASN B CA 1 ATOM 3733 C C . ASN B 2 146 ? -36.832 49.760 -65.393 1.00 47.85 ? 475 ASN B C 1 ATOM 3734 O O . ASN B 2 146 ? -37.314 49.589 -64.275 1.00 48.70 ? 475 ASN B O 1 ATOM 3735 C CB . ASN B 2 146 ? -34.346 49.625 -65.460 1.00 38.40 ? 475 ASN B CB 1 ATOM 3736 C CG . ASN B 2 146 ? -33.165 48.689 -65.424 1.00 40.82 ? 475 ASN B CG 1 ATOM 3737 O OD1 . ASN B 2 146 ? -33.286 47.499 -65.720 1.00 44.07 ? 475 ASN B OD1 1 ATOM 3738 N ND2 . ASN B 2 146 ? -32.004 49.224 -65.066 1.00 42.48 ? 475 ASN B ND2 1 ATOM 3739 N N . GLU B 2 147 ? -37.303 50.672 -66.234 1.00 56.75 ? 476 GLU B N 1 ATOM 3740 C CA . GLU B 2 147 ? -38.469 51.473 -65.874 1.00 56.98 ? 476 GLU B CA 1 ATOM 3741 C C . GLU B 2 147 ? -39.738 50.628 -65.976 1.00 55.41 ? 476 GLU B C 1 ATOM 3742 O O . GLU B 2 147 ? -40.673 50.802 -65.196 1.00 55.58 ? 476 GLU B O 1 ATOM 3743 C CB . GLU B 2 147 ? -38.573 52.722 -66.754 1.00 60.48 ? 476 GLU B CB 1 ATOM 3744 C CG . GLU B 2 147 ? -37.617 53.838 -66.349 1.00 61.15 ? 476 GLU B CG 1 ATOM 3745 C CD . GLU B 2 147 ? -37.786 55.101 -67.184 1.00 77.08 ? 476 GLU B CD 1 ATOM 3746 O OE1 . GLU B 2 147 ? -38.357 55.023 -68.298 1.00 75.93 ? 476 GLU B OE1 1 ATOM 3747 O OE2 . GLU B 2 147 ? -37.348 56.175 -66.718 1.00 77.79 ? 476 GLU B OE2 1 ATOM 3748 N N . CYS B 2 148 ? -39.762 49.703 -66.930 1.00 46.95 ? 477 CYS B N 1 ATOM 3749 C CA . CYS B 2 148 ? -40.859 48.753 -67.028 1.00 47.99 ? 477 CYS B CA 1 ATOM 3750 C C . CYS B 2 148 ? -40.927 47.873 -65.780 1.00 51.53 ? 477 CYS B C 1 ATOM 3751 O O . CYS B 2 148 ? -41.989 47.741 -65.169 1.00 51.58 ? 477 CYS B O 1 ATOM 3752 C CB . CYS B 2 148 ? -40.715 47.887 -68.275 1.00 48.11 ? 477 CYS B CB 1 ATOM 3753 S SG . CYS B 2 148 ? -41.843 46.481 -68.327 1.00 60.66 ? 477 CYS B SG 1 ATOM 3754 N N . MET B 2 149 ? -39.792 47.280 -65.411 1.00 47.51 ? 478 MET B N 1 ATOM 3755 C CA . MET B 2 149 ? -39.673 46.527 -64.167 1.00 44.97 ? 478 MET B CA 1 ATOM 3756 C C . MET B 2 149 ? -40.164 47.331 -62.970 1.00 44.68 ? 478 MET B C 1 ATOM 3757 O O . MET B 2 149 ? -40.937 46.833 -62.154 1.00 44.10 ? 478 MET B O 1 ATOM 3758 C CB . MET B 2 149 ? -38.224 46.099 -63.919 1.00 45.44 ? 478 MET B CB 1 ATOM 3759 C CG . MET B 2 149 ? -37.706 45.006 -64.836 1.00 47.90 ? 478 MET B CG 1 ATOM 3760 S SD . MET B 2 149 ? -38.707 43.519 -64.742 1.00 48.93 ? 478 MET B SD 1 ATOM 3761 C CE . MET B 2 149 ? -37.780 42.395 -65.782 1.00 39.04 ? 478 MET B CE 1 ATOM 3762 N N . GLU B 2 150 ? -39.712 48.575 -62.866 1.00 39.58 ? 479 GLU B N 1 ATOM 3763 C CA . GLU B 2 150 ? -40.031 49.391 -61.704 1.00 45.19 ? 479 GLU B CA 1 ATOM 3764 C C . GLU B 2 150 ? -41.517 49.765 -61.663 1.00 48.52 ? 479 GLU B C 1 ATOM 3765 O O . GLU B 2 150 ? -42.076 49.977 -60.581 1.00 46.54 ? 479 GLU B O 1 ATOM 3766 C CB . GLU B 2 150 ? -39.153 50.647 -61.680 1.00 48.95 ? 479 GLU B CB 1 ATOM 3767 C CG . GLU B 2 150 ? -39.287 51.511 -60.425 1.00 51.32 ? 479 GLU B CG 1 ATOM 3768 C CD . GLU B 2 150 ? -38.749 50.844 -59.160 1.00 56.25 ? 479 GLU B CD 1 ATOM 3769 O OE1 . GLU B 2 150 ? -39.306 51.117 -58.076 1.00 61.78 ? 479 GLU B OE1 1 ATOM 3770 O OE2 . GLU B 2 150 ? -37.773 50.063 -59.236 1.00 48.12 ? 479 GLU B OE2 1 ATOM 3771 N N . SER B 2 151 ? -42.161 49.824 -62.829 1.00 46.99 ? 480 SER B N 1 ATOM 3772 C CA . SER B 2 151 ? -43.586 50.149 -62.882 1.00 45.53 ? 480 SER B CA 1 ATOM 3773 C C . SER B 2 151 ? -44.431 48.941 -62.467 1.00 44.16 ? 480 SER B C 1 ATOM 3774 O O . SER B 2 151 ? -45.555 49.093 -61.989 1.00 43.64 ? 480 SER B O 1 ATOM 3775 C CB . SER B 2 151 ? -43.998 50.635 -64.277 1.00 40.66 ? 480 SER B CB 1 ATOM 3776 O OG . SER B 2 151 ? -43.986 49.582 -65.232 1.00 41.91 ? 480 SER B OG 1 ATOM 3777 N N . VAL B 2 152 ? -43.894 47.742 -62.659 1.00 37.60 ? 481 VAL B N 1 ATOM 3778 C CA . VAL B 2 152 ? -44.550 46.543 -62.153 1.00 39.21 ? 481 VAL B CA 1 ATOM 3779 C C . VAL B 2 152 ? -44.491 46.533 -60.622 1.00 38.76 ? 481 VAL B C 1 ATOM 3780 O O . VAL B 2 152 ? -45.491 46.276 -59.962 1.00 40.04 ? 481 VAL B O 1 ATOM 3781 C CB . VAL B 2 152 ? -43.907 45.259 -62.705 1.00 37.70 ? 481 VAL B CB 1 ATOM 3782 C CG1 . VAL B 2 152 ? -44.479 44.027 -61.999 1.00 33.38 ? 481 VAL B CG1 1 ATOM 3783 C CG2 . VAL B 2 152 ? -44.091 45.173 -64.213 1.00 37.75 ? 481 VAL B CG2 1 ATOM 3784 N N . LYS B 2 153 ? -43.320 46.843 -60.067 1.00 40.14 ? 482 LYS B N 1 ATOM 3785 C CA . LYS B 2 153 ? -43.130 46.865 -58.621 1.00 40.78 ? 482 LYS B CA 1 ATOM 3786 C C . LYS B 2 153 ? -43.868 47.994 -57.902 1.00 41.27 ? 482 LYS B C 1 ATOM 3787 O O . LYS B 2 153 ? -44.245 47.829 -56.749 1.00 43.37 ? 482 LYS B O 1 ATOM 3788 C CB . LYS B 2 153 ? -41.648 46.973 -58.277 1.00 36.40 ? 482 LYS B CB 1 ATOM 3789 C CG . LYS B 2 153 ? -40.784 45.879 -58.839 1.00 39.73 ? 482 LYS B CG 1 ATOM 3790 C CD . LYS B 2 153 ? -39.336 46.164 -58.504 1.00 42.70 ? 482 LYS B CD 1 ATOM 3791 C CE . LYS B 2 153 ? -38.385 45.308 -59.318 1.00 48.50 ? 482 LYS B CE 1 ATOM 3792 N NZ . LYS B 2 153 ? -36.962 45.651 -59.017 1.00 50.67 ? 482 LYS B NZ 1 ATOM 3793 N N . ASN B 2 154 ? -44.044 49.147 -58.545 1.00 52.86 ? 483 ASN B N 1 ATOM 3794 C CA . ASN B 2 154 ? -44.728 50.253 -57.872 1.00 52.43 ? 483 ASN B CA 1 ATOM 3795 C C . ASN B 2 154 ? -46.210 50.243 -58.226 1.00 52.35 ? 483 ASN B C 1 ATOM 3796 O O . ASN B 2 154 ? -46.954 51.142 -57.857 1.00 61.77 ? 483 ASN B O 1 ATOM 3797 C CB . ASN B 2 154 ? -44.054 51.624 -58.180 1.00 51.60 ? 483 ASN B CB 1 ATOM 3798 C CG . ASN B 2 154 ? -44.244 52.127 -59.630 1.00 61.61 ? 483 ASN B CG 1 ATOM 3799 O OD1 . ASN B 2 154 ? -45.052 51.604 -60.404 1.00 58.57 ? 483 ASN B OD1 1 ATOM 3800 N ND2 . ASN B 2 154 ? -43.473 53.180 -59.984 1.00 65.56 ? 483 ASN B ND2 1 ATOM 3801 N N . GLY B 2 155 ? -46.626 49.201 -58.937 1.00 43.05 ? 484 GLY B N 1 ATOM 3802 C CA . GLY B 2 155 ? -48.026 48.982 -59.247 1.00 42.63 ? 484 GLY B CA 1 ATOM 3803 C C . GLY B 2 155 ? -48.642 49.940 -60.251 1.00 52.06 ? 484 GLY B C 1 ATOM 3804 O O . GLY B 2 155 ? -49.835 50.228 -60.182 1.00 56.02 ? 484 GLY B O 1 ATOM 3805 N N . THR B 2 156 ? -47.838 50.428 -61.192 1.00 52.35 ? 485 THR B N 1 ATOM 3806 C CA . THR B 2 156 ? -48.341 51.310 -62.242 1.00 47.80 ? 485 THR B CA 1 ATOM 3807 C C . THR B 2 156 ? -48.003 50.796 -63.635 1.00 45.84 ? 485 THR B C 1 ATOM 3808 O O . THR B 2 156 ? -47.898 51.579 -64.567 1.00 53.78 ? 485 THR B O 1 ATOM 3809 C CB . THR B 2 156 ? -47.778 52.740 -62.107 1.00 50.85 ? 485 THR B CB 1 ATOM 3810 O OG1 . THR B 2 156 ? -46.371 52.734 -62.390 1.00 54.49 ? 485 THR B OG1 1 ATOM 3811 C CG2 . THR B 2 156 ? -48.015 53.284 -60.705 1.00 51.16 ? 485 THR B CG2 1 ATOM 3812 N N . TYR B 2 157 ? -47.823 49.486 -63.767 1.00 44.90 ? 486 TYR B N 1 ATOM 3813 C CA . TYR B 2 157 ? -47.534 48.870 -65.061 1.00 44.23 ? 486 TYR B CA 1 ATOM 3814 C C . TYR B 2 157 ? -48.573 49.271 -66.096 1.00 52.77 ? 486 TYR B C 1 ATOM 3815 O O . TYR B 2 157 ? -49.773 49.248 -65.825 1.00 56.06 ? 486 TYR B O 1 ATOM 3816 C CB . TYR B 2 157 ? -47.476 47.348 -64.930 1.00 42.05 ? 486 TYR B CB 1 ATOM 3817 C CG . TYR B 2 157 ? -47.306 46.593 -66.233 1.00 43.82 ? 486 TYR B CG 1 ATOM 3818 C CD1 . TYR B 2 157 ? -46.079 46.552 -66.885 1.00 40.21 ? 486 TYR B CD1 1 ATOM 3819 C CD2 . TYR B 2 157 ? -48.364 45.889 -66.789 1.00 42.22 ? 486 TYR B CD2 1 ATOM 3820 C CE1 . TYR B 2 157 ? -45.918 45.850 -68.063 1.00 35.61 ? 486 TYR B CE1 1 ATOM 3821 C CE2 . TYR B 2 157 ? -48.213 45.183 -67.965 1.00 41.92 ? 486 TYR B CE2 1 ATOM 3822 C CZ . TYR B 2 157 ? -46.990 45.168 -68.603 1.00 44.86 ? 486 TYR B CZ 1 ATOM 3823 O OH . TYR B 2 157 ? -46.845 44.462 -69.782 1.00 41.61 ? 486 TYR B OH 1 ATOM 3824 N N . ASP B 2 158 ? -48.099 49.646 -67.280 1.00 70.62 ? 487 ASP B N 1 ATOM 3825 C CA . ASP B 2 158 ? -48.967 50.166 -68.325 1.00 70.91 ? 487 ASP B CA 1 ATOM 3826 C C . ASP B 2 158 ? -49.221 49.126 -69.408 1.00 75.09 ? 487 ASP B C 1 ATOM 3827 O O . ASP B 2 158 ? -48.497 49.056 -70.404 1.00 80.09 ? 487 ASP B O 1 ATOM 3828 C CB . ASP B 2 158 ? -48.358 51.429 -68.933 1.00 77.95 ? 487 ASP B CB 1 ATOM 3829 C CG . ASP B 2 158 ? -49.371 52.254 -69.692 1.00 82.35 ? 487 ASP B CG 1 ATOM 3830 O OD1 . ASP B 2 158 ? -50.584 52.002 -69.528 1.00 84.46 ? 487 ASP B OD1 1 ATOM 3831 O OD2 . ASP B 2 158 ? -48.958 53.163 -70.440 1.00 86.62 ? 487 ASP B OD2 1 ATOM 3832 N N . TYR B 2 159 ? -50.263 48.325 -69.205 1.00 66.29 ? 488 TYR B N 1 ATOM 3833 C CA . TYR B 2 159 ? -50.618 47.258 -70.138 1.00 67.49 ? 488 TYR B CA 1 ATOM 3834 C C . TYR B 2 159 ? -50.814 47.696 -71.606 1.00 73.25 ? 488 TYR B C 1 ATOM 3835 O O . TYR B 2 159 ? -50.259 47.053 -72.499 1.00 73.22 ? 488 TYR B O 1 ATOM 3836 C CB . TYR B 2 159 ? -51.881 46.536 -69.645 1.00 58.17 ? 488 TYR B CB 1 ATOM 3837 C CG . TYR B 2 159 ? -52.313 45.384 -70.530 1.00 62.82 ? 488 TYR B CG 1 ATOM 3838 C CD1 . TYR B 2 159 ? -51.800 44.108 -70.337 1.00 56.75 ? 488 TYR B CD1 1 ATOM 3839 C CD2 . TYR B 2 159 ? -53.236 45.572 -71.560 1.00 64.15 ? 488 TYR B CD2 1 ATOM 3840 C CE1 . TYR B 2 159 ? -52.188 43.051 -71.142 1.00 59.78 ? 488 TYR B CE1 1 ATOM 3841 C CE2 . TYR B 2 159 ? -53.630 44.521 -72.372 1.00 59.28 ? 488 TYR B CE2 1 ATOM 3842 C CZ . TYR B 2 159 ? -53.105 43.262 -72.158 1.00 64.37 ? 488 TYR B CZ 1 ATOM 3843 O OH . TYR B 2 159 ? -53.495 42.208 -72.956 1.00 61.55 ? 488 TYR B OH 1 ATOM 3844 N N . PRO B 2 160 ? -51.603 48.768 -71.871 1.00 89.42 ? 489 PRO B N 1 ATOM 3845 C CA . PRO B 2 160 ? -51.918 49.073 -73.280 1.00 88.14 ? 489 PRO B CA 1 ATOM 3846 C C . PRO B 2 160 ? -50.706 49.391 -74.170 1.00 92.13 ? 489 PRO B C 1 ATOM 3847 O O . PRO B 2 160 ? -50.824 49.308 -75.397 1.00 91.23 ? 489 PRO B O 1 ATOM 3848 C CB . PRO B 2 160 ? -52.845 50.294 -73.179 1.00 86.71 ? 489 PRO B CB 1 ATOM 3849 C CG . PRO B 2 160 ? -52.587 50.873 -71.837 1.00 91.10 ? 489 PRO B CG 1 ATOM 3850 C CD . PRO B 2 160 ? -52.294 49.699 -70.958 1.00 88.36 ? 489 PRO B CD 1 ATOM 3851 N N . LYS B 2 161 ? -49.566 49.734 -73.574 1.00 81.43 ? 490 LYS B N 1 ATOM 3852 C CA . LYS B 2 161 ? -48.322 49.849 -74.334 1.00 82.02 ? 490 LYS B CA 1 ATOM 3853 C C . LYS B 2 161 ? -47.829 48.475 -74.788 1.00 84.82 ? 490 LYS B C 1 ATOM 3854 O O . LYS B 2 161 ? -48.577 47.495 -74.775 1.00 86.98 ? 490 LYS B O 1 ATOM 3855 C CB . LYS B 2 161 ? -47.233 50.526 -73.503 1.00 76.09 ? 490 LYS B CB 1 ATOM 3856 C CG . LYS B 2 161 ? -47.537 51.950 -73.096 1.00 77.62 ? 490 LYS B CG 1 ATOM 3857 C CD . LYS B 2 161 ? -46.427 52.492 -72.208 1.00 81.96 ? 490 LYS B CD 1 ATOM 3858 C CE . LYS B 2 161 ? -45.059 52.276 -72.841 1.00 81.13 ? 490 LYS B CE 1 ATOM 3859 N NZ . LYS B 2 161 ? -43.960 52.859 -72.019 1.00 72.48 ? 490 LYS B NZ 1 ATOM 3860 N N . TYR B 2 162 ? -46.562 48.416 -75.188 1.00 80.29 ? 491 TYR B N 1 ATOM 3861 C CA . TYR B 2 162 ? -45.894 47.154 -75.505 1.00 80.40 ? 491 TYR B CA 1 ATOM 3862 C C . TYR B 2 162 ? -46.635 46.346 -76.571 1.00 80.71 ? 491 TYR B C 1 ATOM 3863 O O . TYR B 2 162 ? -47.406 45.438 -76.254 1.00 84.15 ? 491 TYR B O 1 ATOM 3864 C CB . TYR B 2 162 ? -45.724 46.315 -74.231 1.00 71.75 ? 491 TYR B CB 1 ATOM 3865 C CG . TYR B 2 162 ? -45.193 47.103 -73.051 1.00 68.20 ? 491 TYR B CG 1 ATOM 3866 C CD1 . TYR B 2 162 ? -43.863 47.513 -73.004 1.00 68.70 ? 491 TYR B CD1 1 ATOM 3867 C CD2 . TYR B 2 162 ? -46.020 47.438 -71.982 1.00 68.95 ? 491 TYR B CD2 1 ATOM 3868 C CE1 . TYR B 2 162 ? -43.369 48.239 -71.930 1.00 61.27 ? 491 TYR B CE1 1 ATOM 3869 C CE2 . TYR B 2 162 ? -45.535 48.162 -70.902 1.00 64.58 ? 491 TYR B CE2 1 ATOM 3870 C CZ . TYR B 2 162 ? -44.209 48.559 -70.882 1.00 66.79 ? 491 TYR B CZ 1 ATOM 3871 O OH . TYR B 2 162 ? -43.723 49.278 -69.811 1.00 69.41 ? 491 TYR B OH 1 HETATM 3872 C C1 . NAG C 3 . ? -36.997 19.875 -31.439 0.00 51.78 ? 601 NAG A C1 1 HETATM 3873 C C2 . NAG C 3 . ? -35.489 19.832 -31.705 0.00 52.72 ? 601 NAG A C2 1 HETATM 3874 C C3 . NAG C 3 . ? -34.749 19.309 -30.482 0.00 53.85 ? 601 NAG A C3 1 HETATM 3875 C C4 . NAG C 3 . ? -35.106 20.135 -29.260 0.00 53.11 ? 601 NAG A C4 1 HETATM 3876 C C5 . NAG C 3 . ? -36.621 20.145 -29.071 0.00 52.18 ? 601 NAG A C5 1 HETATM 3877 C C6 . NAG C 3 . ? -37.068 21.022 -27.926 0.00 51.88 ? 601 NAG A C6 1 HETATM 3878 C C7 . NAG C 3 . ? -34.847 19.536 -34.062 0.00 52.23 ? 601 NAG A C7 1 HETATM 3879 C C8 . NAG C 3 . ? -34.578 18.548 -35.154 0.00 53.39 ? 601 NAG A C8 1 HETATM 3880 N N2 . NAG C 3 . ? -35.192 19.018 -32.873 0.00 53.00 ? 601 NAG A N2 1 HETATM 3881 O O3 . NAG C 3 . ? -33.346 19.370 -30.721 0.00 55.27 ? 601 NAG A O3 1 HETATM 3882 O O4 . NAG C 3 . ? -34.486 19.591 -28.099 0.00 53.82 ? 601 NAG A O4 1 HETATM 3883 O O5 . NAG C 3 . ? -37.250 20.654 -30.254 0.00 51.36 ? 601 NAG A O5 1 HETATM 3884 O O6 . NAG C 3 . ? -38.215 21.787 -28.271 0.00 50.62 ? 601 NAG A O6 1 HETATM 3885 O O7 . NAG C 3 . ? -34.759 20.746 -34.237 0.00 51.14 ? 601 NAG A O7 1 HETATM 3886 C C1 . NAG D 3 . ? -51.296 62.584 26.274 0.00 69.95 ? 602 NAG A C1 1 HETATM 3887 C C2 . NAG D 3 . ? -51.656 63.970 25.697 0.00 71.01 ? 602 NAG A C2 1 HETATM 3888 C C3 . NAG D 3 . ? -52.798 64.622 26.469 0.00 72.25 ? 602 NAG A C3 1 HETATM 3889 C C4 . NAG D 3 . ? -53.988 63.681 26.538 0.00 71.86 ? 602 NAG A C4 1 HETATM 3890 C C5 . NAG D 3 . ? -53.547 62.411 27.242 0.00 71.17 ? 602 NAG A C5 1 HETATM 3891 C C6 . NAG D 3 . ? -54.654 61.390 27.352 0.00 70.97 ? 602 NAG A C6 1 HETATM 3892 C C7 . NAG D 3 . ? -49.957 65.316 24.541 0.00 71.28 ? 602 NAG A C7 1 HETATM 3893 C C8 . NAG D 3 . ? -48.765 66.210 24.705 0.00 71.90 ? 602 NAG A C8 1 HETATM 3894 N N2 . NAG D 3 . ? -50.497 64.848 25.671 0.00 71.35 ? 602 NAG A N2 1 HETATM 3895 O O3 . NAG D 3 . ? -53.173 65.819 25.799 0.00 72.85 ? 602 NAG A O3 1 HETATM 3896 O O4 . NAG D 3 . ? -55.052 64.294 27.255 0.00 73.05 ? 602 NAG A O4 1 HETATM 3897 O O5 . NAG D 3 . ? -52.500 61.799 26.477 0.00 69.76 ? 602 NAG A O5 1 HETATM 3898 O O6 . NAG D 3 . ? -54.568 60.647 28.560 0.00 71.28 ? 602 NAG A O6 1 HETATM 3899 O O7 . NAG D 3 . ? -50.405 65.025 23.433 0.00 70.64 ? 602 NAG A O7 1 HETATM 3900 C C1 . NAG E 3 . ? -43.446 53.892 -61.247 0.00 66.66 ? 501 NAG B C1 1 HETATM 3901 C C2 . NAG E 3 . ? -43.480 55.399 -60.986 0.00 71.08 ? 501 NAG B C2 1 HETATM 3902 C C3 . NAG E 3 . ? -43.501 56.169 -62.306 0.00 76.44 ? 501 NAG B C3 1 HETATM 3903 C C4 . NAG E 3 . ? -42.349 55.735 -63.204 0.00 81.52 ? 501 NAG B C4 1 HETATM 3904 C C5 . NAG E 3 . ? -42.360 54.215 -63.368 0.00 74.10 ? 501 NAG B C5 1 HETATM 3905 C C6 . NAG E 3 . ? -41.172 53.696 -64.143 0.00 73.23 ? 501 NAG B C6 1 HETATM 3906 C C7 . NAG E 3 . ? -44.556 55.876 -58.833 0.00 67.81 ? 501 NAG B C7 1 HETATM 3907 C C8 . NAG E 3 . ? -45.830 56.262 -58.144 0.00 67.42 ? 501 NAG B C8 1 HETATM 3908 N N2 . NAG E 3 . ? -44.621 55.764 -60.164 0.00 68.85 ? 501 NAG B N2 1 HETATM 3909 O O3 . NAG E 3 . ? -43.409 57.564 -62.041 0.00 80.57 ? 501 NAG B O3 1 HETATM 3910 O O4 . NAG E 3 . ? -42.491 56.349 -64.483 0.00 88.98 ? 501 NAG B O4 1 HETATM 3911 O O5 . NAG E 3 . ? -42.326 53.574 -62.081 0.00 67.58 ? 501 NAG B O5 1 HETATM 3912 O O6 . NAG E 3 . ? -39.958 53.900 -63.434 0.00 72.62 ? 501 NAG B O6 1 HETATM 3913 O O7 . NAG E 3 . ? -43.517 55.673 -58.213 0.00 67.55 ? 501 NAG B O7 1 HETATM 3914 C C1 . NAG F 3 . ? -41.364 57.176 -64.857 0.00 94.90 ? 502 NAG B C1 1 HETATM 3915 C C2 . NAG F 3 . ? -41.251 57.164 -66.381 0.00 98.25 ? 502 NAG B C2 1 HETATM 3916 C C3 . NAG F 3 . ? -40.077 58.029 -66.836 0.00 104.50 ? 502 NAG B C3 1 HETATM 3917 C C4 . NAG F 3 . ? -40.170 59.428 -66.240 0.00 110.95 ? 502 NAG B C4 1 HETATM 3918 C C5 . NAG F 3 . ? -40.335 59.339 -64.722 0.00 105.34 ? 502 NAG B C5 1 HETATM 3919 C C6 . NAG F 3 . ? -40.562 60.681 -64.065 0.00 105.65 ? 502 NAG B C6 1 HETATM 3920 C C7 . NAG F 3 . ? -41.965 55.240 -67.736 0.00 96.32 ? 502 NAG B C7 1 HETATM 3921 C C8 . NAG F 3 . ? -43.117 56.094 -68.173 0.00 103.69 ? 502 NAG B C8 1 HETATM 3922 N N2 . NAG F 3 . ? -41.106 55.804 -66.880 0.00 96.26 ? 502 NAG B N2 1 HETATM 3923 O O3 . NAG F 3 . ? -40.069 58.107 -68.257 0.00 108.04 ? 502 NAG B O3 1 HETATM 3924 O O4 . NAG F 3 . ? -38.979 60.146 -66.547 0.00 114.92 ? 502 NAG B O4 1 HETATM 3925 O O5 . NAG F 3 . ? -41.473 58.525 -64.397 0.00 99.99 ? 502 NAG B O5 1 HETATM 3926 O O6 . NAG F 3 . ? -41.067 60.537 -62.745 0.00 102.13 ? 502 NAG B O6 1 HETATM 3927 O O7 . NAG F 3 . ? -41.817 54.091 -68.139 0.00 91.68 ? 502 NAG B O7 1 HETATM 3928 C C1 . BMA G 4 . ? -39.237 61.396 -67.227 0.00 122.65 ? 503 BMA B C1 1 HETATM 3929 C C2 . BMA G 4 . ? -38.486 62.489 -66.467 0.00 122.11 ? 503 BMA B C2 1 HETATM 3930 C C3 . BMA G 4 . ? -38.557 63.837 -67.169 0.00 128.54 ? 503 BMA B C3 1 HETATM 3931 C C4 . BMA G 4 . ? -38.086 63.676 -68.603 0.00 133.04 ? 503 BMA B C4 1 HETATM 3932 C C5 . BMA G 4 . ? -38.944 62.625 -69.294 0.00 132.85 ? 503 BMA B C5 1 HETATM 3933 C C6 . BMA G 4 . ? -38.512 62.462 -70.747 0.00 136.70 ? 503 BMA B C6 1 HETATM 3934 O O2 . BMA G 4 . ? -37.114 62.102 -66.335 0.00 118.40 ? 503 BMA B O2 1 HETATM 3935 O O3 . BMA G 4 . ? -37.719 64.778 -66.489 0.00 126.48 ? 503 BMA B O3 1 HETATM 3936 O O4 . BMA G 4 . ? -38.195 64.925 -69.294 0.00 136.06 ? 503 BMA B O4 1 HETATM 3937 O O5 . BMA G 4 . ? -38.858 61.367 -68.611 0.00 128.15 ? 503 BMA B O5 1 HETATM 3938 O O6 . BMA G 4 . ? -39.500 61.716 -71.467 0.00 138.26 ? 503 BMA B O6 1 HETATM 3939 O O . HOH H 5 . ? -29.863 29.308 -8.169 1.00 55.86 ? 701 HOH A O 1 HETATM 3940 O O . HOH H 5 . ? -35.949 25.351 41.915 1.00 71.74 ? 702 HOH A O 1 HETATM 3941 O O . HOH H 5 . ? -32.430 42.539 32.838 1.00 52.43 ? 703 HOH A O 1 HETATM 3942 O O . HOH H 5 . ? -53.068 59.294 24.745 1.00 50.50 ? 704 HOH A O 1 HETATM 3943 O O . HOH H 5 . ? -24.045 41.647 4.480 1.00 62.10 ? 705 HOH A O 1 HETATM 3944 O O . HOH H 5 . ? -35.200 34.759 -30.903 1.00 34.82 ? 706 HOH A O 1 HETATM 3945 O O . HOH H 5 . ? -41.953 60.317 15.504 1.00 57.35 ? 707 HOH A O 1 HETATM 3946 O O . HOH H 5 . ? -30.976 45.133 34.615 1.00 55.26 ? 708 HOH A O 1 HETATM 3947 O O . HOH H 5 . ? -55.528 33.168 44.324 1.00 81.90 ? 709 HOH A O 1 HETATM 3948 O O . HOH H 5 . ? -36.315 34.399 12.427 1.00 52.40 ? 710 HOH A O 1 HETATM 3949 O O . HOH H 5 . ? -28.289 26.818 -53.473 1.00 62.79 ? 711 HOH A O 1 HETATM 3950 O O . HOH H 5 . ? -44.070 55.459 36.765 1.00 60.78 ? 712 HOH A O 1 HETATM 3951 O O . HOH H 5 . ? -31.189 19.985 -30.955 1.00 64.23 ? 713 HOH A O 1 HETATM 3952 O O . HOH H 5 . ? -50.539 40.694 -17.137 1.00 36.88 ? 714 HOH A O 1 HETATM 3953 O O . HOH H 5 . ? -39.623 47.775 24.034 1.00 41.05 ? 715 HOH A O 1 HETATM 3954 O O . HOH H 5 . ? -35.866 36.240 -69.812 1.00 49.00 ? 716 HOH A O 1 HETATM 3955 O O . HOH H 5 . ? -40.767 24.278 -42.142 1.00 54.94 ? 717 HOH A O 1 HETATM 3956 O O . HOH H 5 . ? -32.146 47.423 17.265 1.00 48.08 ? 718 HOH A O 1 HETATM 3957 O O . HOH H 5 . ? -41.232 21.722 -38.811 1.00 54.41 ? 719 HOH A O 1 HETATM 3958 O O . HOH H 5 . ? -46.825 27.400 -41.601 1.00 49.56 ? 720 HOH A O 1 HETATM 3959 O O . HOH H 5 . ? -29.570 36.411 9.674 1.00 44.46 ? 721 HOH A O 1 HETATM 3960 O O . HOH H 5 . ? -31.337 50.824 -6.842 1.00 56.96 ? 722 HOH A O 1 HETATM 3961 O O . HOH H 5 . ? -26.263 40.426 -15.542 1.00 64.22 ? 723 HOH A O 1 HETATM 3962 O O . HOH H 5 . ? -34.256 31.447 -26.529 1.00 39.29 ? 724 HOH A O 1 HETATM 3963 O O . HOH H 5 . ? -29.773 48.765 5.635 1.00 61.01 ? 725 HOH A O 1 HETATM 3964 O O . HOH H 5 . ? -34.079 25.446 -46.659 1.00 57.24 ? 726 HOH A O 1 HETATM 3965 O O . HOH H 5 . ? -36.727 35.994 -72.083 1.00 45.02 ? 727 HOH A O 1 HETATM 3966 O O . HOH H 5 . ? -43.273 38.783 -5.506 1.00 39.54 ? 728 HOH A O 1 HETATM 3967 O O . HOH H 5 . ? -58.047 49.633 26.471 1.00 57.37 ? 729 HOH A O 1 HETATM 3968 O O . HOH H 5 . ? -50.396 48.790 21.910 1.00 32.08 ? 730 HOH A O 1 HETATM 3969 O O . HOH H 5 . ? -38.016 50.278 31.395 1.00 61.36 ? 731 HOH A O 1 HETATM 3970 O O . HOH H 5 . ? -30.666 36.838 -46.646 1.00 46.22 ? 732 HOH A O 1 HETATM 3971 O O . HOH H 5 . ? -41.763 56.991 32.640 1.00 51.41 ? 733 HOH A O 1 HETATM 3972 O O . HOH H 5 . ? -34.154 33.420 -21.609 1.00 49.55 ? 734 HOH A O 1 HETATM 3973 O O . HOH H 5 . ? -36.711 48.993 -8.812 1.00 45.08 ? 735 HOH A O 1 HETATM 3974 O O . HOH H 5 . ? -31.833 48.109 14.716 1.00 45.32 ? 736 HOH A O 1 HETATM 3975 O O . HOH H 5 . ? -32.008 45.592 -12.169 1.00 62.27 ? 737 HOH A O 1 HETATM 3976 O O . HOH H 5 . ? -40.255 40.904 -23.946 1.00 53.76 ? 738 HOH A O 1 HETATM 3977 O O . HOH H 5 . ? -52.413 50.460 21.017 1.00 50.11 ? 739 HOH A O 1 HETATM 3978 O O . HOH H 5 . ? -39.010 32.058 17.599 1.00 45.67 ? 740 HOH A O 1 HETATM 3979 O O . HOH H 5 . ? -43.019 53.103 39.371 1.00 64.61 ? 741 HOH A O 1 HETATM 3980 O O . HOH H 5 . ? -38.631 48.372 2.996 1.00 46.39 ? 742 HOH A O 1 HETATM 3981 O O . HOH H 5 . ? -34.413 28.307 34.578 1.00 67.46 ? 743 HOH A O 1 HETATM 3982 O O . HOH H 5 . ? -47.363 49.226 7.964 1.00 42.84 ? 744 HOH A O 1 HETATM 3983 O O . HOH H 5 . ? -46.785 22.720 -30.612 1.00 37.33 ? 745 HOH A O 1 HETATM 3984 O O . HOH H 5 . ? -44.925 36.308 8.471 1.00 30.20 ? 746 HOH A O 1 HETATM 3985 O O . HOH H 5 . ? -47.700 26.364 -38.118 1.00 26.47 ? 747 HOH A O 1 HETATM 3986 O O . HOH H 5 . ? -28.494 43.783 20.351 1.00 56.11 ? 748 HOH A O 1 HETATM 3987 O O . HOH H 5 . ? -30.859 38.848 -15.765 1.00 36.80 ? 749 HOH A O 1 HETATM 3988 O O . HOH H 5 . ? -32.565 42.165 -21.829 1.00 45.01 ? 750 HOH A O 1 HETATM 3989 O O . HOH H 5 . ? -40.407 33.127 -57.442 1.00 36.78 ? 751 HOH A O 1 HETATM 3990 O O . HOH H 5 . ? -32.752 17.442 -32.528 1.00 73.33 ? 752 HOH A O 1 HETATM 3991 O O . HOH H 5 . ? -49.183 35.463 14.265 1.00 35.31 ? 753 HOH A O 1 HETATM 3992 O O . HOH H 5 . ? -56.890 54.351 19.080 1.00 63.41 ? 754 HOH A O 1 HETATM 3993 O O . HOH H 5 . ? -45.801 47.108 2.286 1.00 66.72 ? 755 HOH A O 1 HETATM 3994 O O . HOH H 5 . ? -42.694 43.809 -10.318 1.00 46.94 ? 756 HOH A O 1 HETATM 3995 O O . HOH H 5 . ? -37.498 31.725 -46.179 1.00 24.50 ? 757 HOH A O 1 HETATM 3996 O O . HOH H 5 . ? -41.420 32.270 19.331 1.00 56.19 ? 758 HOH A O 1 HETATM 3997 O O . HOH H 5 . ? -30.431 44.669 17.904 1.00 47.28 ? 759 HOH A O 1 HETATM 3998 O O . HOH H 5 . ? -35.210 33.684 -35.584 1.00 37.64 ? 760 HOH A O 1 HETATM 3999 O O . HOH H 5 . ? -51.950 48.334 17.725 1.00 52.43 ? 761 HOH A O 1 HETATM 4000 O O . HOH H 5 . ? -34.633 44.020 -15.045 1.00 47.40 ? 762 HOH A O 1 HETATM 4001 O O . HOH H 5 . ? -32.361 53.696 32.079 1.00 54.98 ? 763 HOH A O 1 HETATM 4002 O O . HOH H 5 . ? -34.891 38.051 -28.376 1.00 35.10 ? 764 HOH A O 1 HETATM 4003 O O . HOH H 5 . ? -38.863 25.346 -30.557 1.00 44.72 ? 765 HOH A O 1 HETATM 4004 O O . HOH H 5 . ? -31.322 32.332 -2.560 1.00 52.27 ? 766 HOH A O 1 HETATM 4005 O O . HOH H 5 . ? -38.737 44.757 4.217 1.00 47.93 ? 767 HOH A O 1 HETATM 4006 O O . HOH H 5 . ? -35.138 33.078 16.669 1.00 61.72 ? 768 HOH A O 1 HETATM 4007 O O . HOH H 5 . ? -32.206 36.091 -25.607 1.00 50.61 ? 769 HOH A O 1 HETATM 4008 O O . HOH H 5 . ? -46.988 19.216 -38.449 1.00 49.59 ? 770 HOH A O 1 HETATM 4009 O O . HOH H 5 . ? -37.475 40.685 -34.526 1.00 44.88 ? 771 HOH A O 1 HETATM 4010 O O . HOH H 5 . ? -47.279 34.562 -11.988 1.00 41.08 ? 772 HOH A O 1 HETATM 4011 O O . HOH H 5 . ? -49.285 33.186 25.122 1.00 56.89 ? 773 HOH A O 1 HETATM 4012 O O . HOH H 5 . ? -29.837 31.847 -35.699 1.00 41.33 ? 774 HOH A O 1 HETATM 4013 O O . HOH H 5 . ? -29.446 31.291 -6.666 1.00 50.81 ? 775 HOH A O 1 HETATM 4014 O O . HOH H 5 . ? -29.677 54.198 9.045 1.00 55.97 ? 776 HOH A O 1 HETATM 4015 O O . HOH H 5 . ? -26.907 45.710 6.338 1.00 38.13 ? 777 HOH A O 1 HETATM 4016 O O . HOH H 5 . ? -33.429 57.694 23.526 1.00 52.76 ? 778 HOH A O 1 HETATM 4017 O O . HOH H 5 . ? -33.758 27.737 -31.345 1.00 47.54 ? 779 HOH A O 1 HETATM 4018 O O . HOH H 5 . ? -41.982 29.040 -29.328 1.00 28.80 ? 780 HOH A O 1 HETATM 4019 O O . HOH H 5 . ? -40.598 28.955 -27.103 1.00 31.34 ? 781 HOH A O 1 HETATM 4020 O O . HOH H 5 . ? -47.900 39.533 20.916 1.00 39.33 ? 782 HOH A O 1 HETATM 4021 O O . HOH H 5 . ? -23.999 34.963 -10.756 1.00 38.61 ? 783 HOH A O 1 HETATM 4022 O O . HOH H 5 . ? -37.437 30.921 -6.223 1.00 70.93 ? 784 HOH A O 1 HETATM 4023 O O . HOH H 5 . ? -19.805 40.438 -0.497 1.00 57.66 ? 785 HOH A O 1 HETATM 4024 O O . HOH H 5 . ? -28.156 32.565 -14.374 1.00 47.03 ? 786 HOH A O 1 HETATM 4025 O O . HOH H 5 . ? -36.068 30.688 -56.321 1.00 49.57 ? 787 HOH A O 1 HETATM 4026 O O . HOH H 5 . ? -25.857 47.291 10.856 1.00 54.38 ? 788 HOH A O 1 HETATM 4027 O O . HOH H 5 . ? -27.865 33.960 21.239 1.00 47.97 ? 789 HOH A O 1 HETATM 4028 O O . HOH H 5 . ? -34.188 37.494 -34.802 1.00 39.46 ? 790 HOH A O 1 HETATM 4029 O O . HOH H 5 . ? -27.125 35.263 23.538 1.00 69.54 ? 791 HOH A O 1 HETATM 4030 O O . HOH H 5 . ? -27.944 35.926 -42.991 1.00 44.05 ? 792 HOH A O 1 HETATM 4031 O O . HOH H 5 . ? -37.980 33.979 2.095 1.00 48.74 ? 793 HOH A O 1 HETATM 4032 O O . HOH H 5 . ? -43.028 41.647 3.840 1.00 56.72 ? 794 HOH A O 1 HETATM 4033 O O . HOH H 5 . ? -37.987 29.738 -55.604 1.00 64.97 ? 795 HOH A O 1 HETATM 4034 O O . HOH H 5 . ? -38.213 24.155 -40.359 1.00 52.98 ? 796 HOH A O 1 HETATM 4035 O O . HOH H 5 . ? -38.146 29.020 -7.923 1.00 48.81 ? 797 HOH A O 1 HETATM 4036 O O . HOH H 5 . ? -33.692 35.298 -35.051 1.00 70.51 ? 798 HOH A O 1 HETATM 4037 O O . HOH H 5 . ? -29.084 55.672 7.896 1.00 71.11 ? 799 HOH A O 1 HETATM 4038 O O . HOH H 5 . ? -38.443 41.292 -25.399 1.00 50.46 ? 800 HOH A O 1 HETATM 4039 O O . HOH H 5 . ? -35.952 31.762 12.199 1.00 46.76 ? 801 HOH A O 1 HETATM 4040 O O . HOH H 5 . ? -42.533 27.727 -27.269 1.00 52.90 ? 802 HOH A O 1 HETATM 4041 O O . HOH H 5 . ? -27.934 38.620 -15.469 1.00 56.71 ? 803 HOH A O 1 HETATM 4042 O O . HOH H 5 . ? -56.949 32.880 46.100 0.33 85.32 ? 804 HOH A O 1 HETATM 4043 O O . HOH H 5 . ? -40.813 44.387 -16.640 1.00 61.21 ? 805 HOH A O 1 HETATM 4044 O O . HOH H 5 . ? -34.701 35.150 -72.882 1.00 62.69 ? 806 HOH A O 1 HETATM 4045 O O . HOH H 5 . ? -37.257 30.426 19.692 1.00 51.57 ? 807 HOH A O 1 HETATM 4046 O O . HOH H 5 . ? -28.791 37.811 -44.161 1.00 50.25 ? 808 HOH A O 1 HETATM 4047 O O . HOH I 5 . ? -45.432 47.740 -24.811 1.00 64.93 ? 601 HOH B O 1 HETATM 4048 O O . HOH I 5 . ? -49.906 37.279 3.102 1.00 37.65 ? 602 HOH B O 1 HETATM 4049 O O . HOH I 5 . ? -45.498 36.330 -8.156 1.00 44.36 ? 603 HOH B O 1 HETATM 4050 O O . HOH I 5 . ? -48.256 27.065 16.985 1.00 61.76 ? 604 HOH B O 1 HETATM 4051 O O . HOH I 5 . ? -52.087 44.409 -59.208 1.00 44.29 ? 605 HOH B O 1 HETATM 4052 O O . HOH I 5 . ? -38.463 32.946 -52.539 1.00 34.02 ? 606 HOH B O 1 HETATM 4053 O O . HOH I 5 . ? -32.498 31.144 -50.851 1.00 49.19 ? 607 HOH B O 1 HETATM 4054 O O . HOH I 5 . ? -42.712 40.003 5.120 1.00 72.75 ? 608 HOH B O 1 HETATM 4055 O O . HOH I 5 . ? -53.873 32.721 -57.731 1.00 47.44 ? 609 HOH B O 1 HETATM 4056 O O . HOH I 5 . ? -48.036 25.497 -14.527 1.00 52.15 ? 610 HOH B O 1 HETATM 4057 O O . HOH I 5 . ? -42.791 31.547 -71.623 1.00 64.23 ? 611 HOH B O 1 HETATM 4058 O O . HOH I 5 . ? -45.564 32.538 2.353 1.00 63.78 ? 612 HOH B O 1 HETATM 4059 O O . HOH I 5 . ? -51.378 37.570 -37.028 1.00 41.83 ? 613 HOH B O 1 HETATM 4060 O O . HOH I 5 . ? -44.868 41.548 -16.882 1.00 37.66 ? 614 HOH B O 1 HETATM 4061 O O . HOH I 5 . ? -36.016 43.398 -58.663 1.00 44.15 ? 615 HOH B O 1 HETATM 4062 O O . HOH I 5 . ? -52.989 25.241 -9.926 1.00 43.73 ? 616 HOH B O 1 HETATM 4063 O O . HOH I 5 . ? -54.342 37.724 -59.812 1.00 39.27 ? 617 HOH B O 1 HETATM 4064 O O . HOH I 5 . ? -52.954 28.116 -39.625 1.00 39.69 ? 618 HOH B O 1 HETATM 4065 O O . HOH I 5 . ? -33.540 49.435 -68.550 1.00 42.52 ? 619 HOH B O 1 HETATM 4066 O O . HOH I 5 . ? -31.638 42.743 -51.841 1.00 66.46 ? 620 HOH B O 1 HETATM 4067 O O . HOH I 5 . ? -54.276 36.163 -49.639 1.00 56.45 ? 621 HOH B O 1 HETATM 4068 O O . HOH I 5 . ? -50.602 39.644 -13.393 1.00 55.91 ? 622 HOH B O 1 HETATM 4069 O O . HOH I 5 . ? -57.939 29.631 -23.799 1.00 37.38 ? 623 HOH B O 1 HETATM 4070 O O . HOH I 5 . ? -56.106 46.799 -25.724 1.00 42.91 ? 624 HOH B O 1 HETATM 4071 O O . HOH I 5 . ? -27.241 41.335 -69.788 1.00 51.62 ? 625 HOH B O 1 HETATM 4072 O O . HOH I 5 . ? -49.553 32.657 -67.951 1.00 48.92 ? 626 HOH B O 1 HETATM 4073 O O . HOH I 5 . ? -50.364 45.505 -74.893 1.00 76.06 ? 627 HOH B O 1 HETATM 4074 O O . HOH I 5 . ? -43.082 49.753 -36.863 1.00 51.59 ? 628 HOH B O 1 HETATM 4075 O O . HOH I 5 . ? -45.764 35.495 -33.529 1.00 30.21 ? 629 HOH B O 1 HETATM 4076 O O . HOH I 5 . ? -50.853 27.404 -40.963 1.00 31.76 ? 630 HOH B O 1 HETATM 4077 O O . HOH I 5 . ? -39.216 47.151 -55.007 1.00 41.98 ? 631 HOH B O 1 HETATM 4078 O O . HOH I 5 . ? -50.521 34.721 -68.552 1.00 53.10 ? 632 HOH B O 1 HETATM 4079 O O . HOH I 5 . ? -53.162 25.323 -6.989 1.00 31.85 ? 633 HOH B O 1 HETATM 4080 O O . HOH I 5 . ? -54.601 32.711 11.924 1.00 34.00 ? 634 HOH B O 1 HETATM 4081 O O . HOH I 5 . ? -47.981 43.489 -45.971 1.00 36.79 ? 635 HOH B O 1 HETATM 4082 O O . HOH I 5 . ? -45.230 50.311 -67.747 1.00 54.66 ? 636 HOH B O 1 HETATM 4083 O O . HOH I 5 . ? -50.549 30.248 15.906 1.00 44.33 ? 637 HOH B O 1 HETATM 4084 O O . HOH I 5 . ? -44.853 31.844 -0.893 1.00 45.97 ? 638 HOH B O 1 HETATM 4085 O O . HOH I 5 . ? -50.578 25.629 -16.531 1.00 31.86 ? 639 HOH B O 1 HETATM 4086 O O . HOH I 5 . ? -52.838 37.685 -11.689 1.00 25.91 ? 640 HOH B O 1 HETATM 4087 O O . HOH I 5 . ? -53.806 42.925 -19.277 1.00 32.28 ? 641 HOH B O 1 HETATM 4088 O O . HOH I 5 . ? -31.610 45.224 -64.656 1.00 52.93 ? 642 HOH B O 1 HETATM 4089 O O . HOH I 5 . ? -45.443 28.075 -26.086 1.00 37.36 ? 643 HOH B O 1 HETATM 4090 O O . HOH I 5 . ? -45.790 36.817 -11.280 1.00 35.09 ? 644 HOH B O 1 HETATM 4091 O O . HOH I 5 . ? -48.880 44.277 -11.592 1.00 52.10 ? 645 HOH B O 1 HETATM 4092 O O . HOH I 5 . ? -47.793 29.402 1.778 1.00 32.19 ? 646 HOH B O 1 HETATM 4093 O O . HOH I 5 . ? -39.239 39.554 -73.282 1.00 65.60 ? 647 HOH B O 1 HETATM 4094 O O . HOH I 5 . ? -49.357 25.496 -52.796 1.00 45.09 ? 648 HOH B O 1 HETATM 4095 O O . HOH I 5 . ? -48.685 28.443 -39.269 1.00 35.35 ? 649 HOH B O 1 HETATM 4096 O O . HOH I 5 . ? -40.566 27.764 -56.711 1.00 56.89 ? 650 HOH B O 1 HETATM 4097 O O . HOH I 5 . ? -55.267 27.792 9.354 1.00 34.52 ? 651 HOH B O 1 HETATM 4098 O O . HOH I 5 . ? -44.497 29.268 6.721 1.00 41.83 ? 652 HOH B O 1 HETATM 4099 O O . HOH I 5 . ? -42.585 43.754 -17.506 1.00 52.58 ? 653 HOH B O 1 HETATM 4100 O O . HOH I 5 . ? -50.414 29.729 -61.991 1.00 47.55 ? 654 HOH B O 1 HETATM 4101 O O . HOH I 5 . ? -53.097 35.477 -39.792 1.00 32.87 ? 655 HOH B O 1 HETATM 4102 O O . HOH I 5 . ? -49.721 24.150 5.127 1.00 57.20 ? 656 HOH B O 1 HETATM 4103 O O . HOH I 5 . ? -51.538 42.151 -44.223 1.00 28.00 ? 657 HOH B O 1 HETATM 4104 O O . HOH I 5 . ? -56.949 32.880 -18.126 0.33 31.11 ? 658 HOH B O 1 HETATM 4105 O O . HOH I 5 . ? -43.077 23.076 -52.242 1.00 43.58 ? 659 HOH B O 1 HETATM 4106 O O . HOH I 5 . ? -30.963 33.826 -53.149 1.00 50.83 ? 660 HOH B O 1 HETATM 4107 O O . HOH I 5 . ? -44.158 31.918 -42.994 1.00 33.06 ? 661 HOH B O 1 HETATM 4108 O O . HOH I 5 . ? -44.719 26.794 14.529 1.00 50.89 ? 662 HOH B O 1 HETATM 4109 O O . HOH I 5 . ? -45.225 42.239 4.474 1.00 47.33 ? 663 HOH B O 1 HETATM 4110 O O . HOH I 5 . ? -49.284 42.812 -43.405 1.00 31.66 ? 664 HOH B O 1 HETATM 4111 O O . HOH I 5 . ? -46.743 32.350 -7.960 1.00 34.47 ? 665 HOH B O 1 HETATM 4112 O O . HOH I 5 . ? -49.672 43.291 -48.001 1.00 53.51 ? 666 HOH B O 1 HETATM 4113 O O . HOH I 5 . ? -49.799 43.408 -41.423 1.00 52.31 ? 667 HOH B O 1 HETATM 4114 O O . HOH I 5 . ? -37.711 31.977 -57.924 1.00 53.18 ? 668 HOH B O 1 HETATM 4115 O O . HOH I 5 . ? -48.969 24.396 2.212 1.00 57.54 ? 669 HOH B O 1 HETATM 4116 O O . HOH I 5 . ? -54.724 33.336 -39.812 1.00 49.69 ? 670 HOH B O 1 HETATM 4117 O O . HOH I 5 . ? -30.635 31.656 -53.343 1.00 46.49 ? 671 HOH B O 1 HETATM 4118 O O . HOH I 5 . ? -50.129 29.506 -58.305 1.00 39.38 ? 672 HOH B O 1 HETATM 4119 O O . HOH I 5 . ? -53.486 45.480 -19.268 1.00 41.33 ? 673 HOH B O 1 HETATM 4120 O O . HOH I 5 . ? -54.734 47.675 -27.520 1.00 53.61 ? 674 HOH B O 1 HETATM 4121 O O . HOH I 5 . ? -55.344 37.857 -62.111 1.00 38.91 ? 675 HOH B O 1 HETATM 4122 O O . HOH I 5 . ? -29.830 39.682 -43.274 1.00 50.56 ? 676 HOH B O 1 HETATM 4123 O O . HOH I 5 . ? -56.078 30.383 11.091 1.00 35.25 ? 677 HOH B O 1 HETATM 4124 O O . HOH I 5 . ? -45.912 33.678 -9.345 1.00 37.29 ? 678 HOH B O 1 HETATM 4125 O O . HOH I 5 . ? -56.639 48.686 -26.558 1.00 76.16 ? 679 HOH B O 1 HETATM 4126 O O . HOH I 5 . ? -51.875 30.050 -57.129 1.00 42.47 ? 680 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . ASP A 1 ? 0.4039 0.5326 0.3712 -0.0274 0.0615 0.0190 1 ASP A N 2 C CA . ASP A 1 ? 0.5073 0.6331 0.4797 -0.0307 0.0591 0.0219 1 ASP A CA 3 C C . ASP A 1 ? 0.5480 0.6683 0.5249 -0.0285 0.0547 0.0195 1 ASP A C 4 O O . ASP A 1 ? 0.4981 0.6130 0.4707 -0.0262 0.0520 0.0173 1 ASP A O 5 C CB . ASP A 1 ? 0.5832 0.7029 0.5481 -0.0343 0.0579 0.0261 1 ASP A CB 6 C CG . ASP A 1 ? 0.6522 0.7770 0.6144 -0.0384 0.0622 0.0296 1 ASP A CG 7 O OD1 . ASP A 1 ? 0.5876 0.7220 0.5531 -0.0380 0.0663 0.0284 1 ASP A OD1 8 O OD2 . ASP A 1 ? 0.6763 0.7954 0.6324 -0.0420 0.0616 0.0334 1 ASP A OD2 9 N N . LYS A 2 ? 0.5908 0.7129 0.5763 -0.0293 0.0541 0.0199 2 LYS A N 10 C CA . LYS A 2 ? 0.5925 0.7101 0.5826 -0.0272 0.0504 0.0175 2 LYS A CA 11 C C . LYS A 2 ? 0.5329 0.6496 0.5300 -0.0297 0.0486 0.0196 2 LYS A C 12 O O . LYS A 2 ? 0.5199 0.6418 0.5208 -0.0325 0.0508 0.0219 2 LYS A O 13 C CB . LYS A 2 ? 0.5998 0.7206 0.5930 -0.0230 0.0518 0.0133 2 LYS A CB 14 C CG . LYS A 2 ? 0.6285 0.7587 0.6273 -0.0225 0.0558 0.0134 2 LYS A CG 15 C CD . LYS A 2 ? 0.7484 0.8803 0.7478 -0.0173 0.0574 0.0091 2 LYS A CD 16 C CE . LYS A 2 ? 0.6776 0.8044 0.6817 -0.0152 0.0544 0.0068 2 LYS A CE 17 N NZ . LYS A 2 ? 0.8267 0.9540 0.8305 -0.0101 0.0562 0.0029 2 LYS A NZ 18 N N . ILE A 3 ? 0.4519 0.5622 0.4504 -0.0289 0.0446 0.0187 3 ILE A N 19 C CA . ILE A 3 ? 0.4033 0.5123 0.4085 -0.0305 0.0426 0.0200 3 ILE A CA 20 C C . ILE A 3 ? 0.4210 0.5282 0.4309 -0.0274 0.0405 0.0165 3 ILE A C 21 O O . ILE A 3 ? 0.4300 0.5337 0.4366 -0.0251 0.0388 0.0139 3 ILE A O 22 C CB . ILE A 3 ? 0.3833 0.4851 0.3846 -0.0330 0.0398 0.0232 3 ILE A CB 23 C CG1 . ILE A 3 ? 0.3857 0.4863 0.3933 -0.0352 0.0385 0.0248 3 ILE A CG1 24 C CG2 . ILE A 3 ? 0.3906 0.4864 0.3873 -0.0306 0.0362 0.0217 3 ILE A CG2 25 C CD1 . ILE A 3 ? 0.4293 0.5233 0.4323 -0.0383 0.0371 0.0286 3 ILE A CD1 26 N N . CYS A 4 ? 0.4741 0.5843 0.4918 -0.0276 0.0407 0.0164 4 CYS A N 27 C CA . CYS A 4 ? 0.4496 0.5582 0.4718 -0.0248 0.0390 0.0133 4 CYS A CA 28 C C . CYS A 4 ? 0.4027 0.5082 0.4299 -0.0264 0.0362 0.0146 4 CYS A C 29 O O . CYS A 4 ? 0.3705 0.4776 0.3999 -0.0294 0.0365 0.0176 4 CYS A O 30 C CB . CYS A 4 ? 0.4684 0.5834 0.4949 -0.0221 0.0421 0.0115 4 CYS A CB 31 S SG . CYS A 4 ? 0.5982 0.7166 0.6188 -0.0191 0.0457 0.0092 4 CYS A SG 32 N N . ILE A 5 ? 0.4089 0.5100 0.4377 -0.0246 0.0335 0.0123 5 ILE A N 33 C CA . ILE A 5 ? 0.3611 0.4596 0.3949 -0.0257 0.0310 0.0132 5 ILE A CA 34 C C . ILE A 5 ? 0.3829 0.4840 0.4227 -0.0236 0.0318 0.0112 5 ILE A C 35 O O . ILE A 5 ? 0.3378 0.4387 0.3765 -0.0207 0.0327 0.0082 5 ILE A O 36 C CB . ILE A 5 ? 0.3857 0.4780 0.4169 -0.0254 0.0273 0.0124 5 ILE A CB 37 C CG1 . ILE A 5 ? 0.4041 0.4936 0.4299 -0.0272 0.0261 0.0153 5 ILE A CG1 38 C CG2 . ILE A 5 ? 0.3573 0.4473 0.3942 -0.0255 0.0249 0.0121 5 ILE A CG2 39 C CD1 . ILE A 5 ? 0.4816 0.5720 0.5004 -0.0267 0.0275 0.0151 5 ILE A CD1 40 N N . GLY A 6 ? 0.2988 0.4021 0.3445 -0.0250 0.0314 0.0127 6 GLY A N 41 C CA . GLY A 6 ? 0.2888 0.3951 0.3401 -0.0227 0.0322 0.0112 6 GLY A CA 42 C C . GLY A 6 ? 0.2841 0.3906 0.3410 -0.0245 0.0305 0.0127 6 GLY A C 43 O O . GLY A 6 ? 0.2918 0.3950 0.3482 -0.0274 0.0286 0.0147 6 GLY A O 44 N N . TYR A 7 ? 0.2657 0.3759 0.3277 -0.0224 0.0312 0.0117 7 TYR A N 45 C CA . TYR A 7 ? 0.2773 0.3877 0.3447 -0.0236 0.0295 0.0126 7 TYR A CA 46 C C . TYR A 7 ? 0.2754 0.3946 0.3483 -0.0226 0.0314 0.0130 7 TYR A C 47 O O . TYR A 7 ? 0.2870 0.4118 0.3599 -0.0197 0.0340 0.0119 7 TYR A O 48 C CB . TYR A 7 ? 0.2347 0.3382 0.3024 -0.0217 0.0270 0.0106 7 TYR A CB 49 C CG . TYR A 7 ? 0.2471 0.3488 0.3129 -0.0176 0.0282 0.0076 7 TYR A CG 50 C CD1 . TYR A 7 ? 0.2347 0.3319 0.2946 -0.0168 0.0282 0.0058 7 TYR A CD1 51 C CD2 . TYR A 7 ? 0.2614 0.3652 0.3305 -0.0144 0.0291 0.0066 7 TYR A CD2 52 C CE1 . TYR A 7 ? 0.2705 0.3647 0.3275 -0.0135 0.0294 0.0029 7 TYR A CE1 53 C CE2 . TYR A 7 ? 0.2226 0.3230 0.2886 -0.0105 0.0302 0.0039 7 TYR A CE2 54 C CZ . TYR A 7 ? 0.2878 0.3829 0.3475 -0.0103 0.0304 0.0020 7 TYR A CZ 55 O OH . TYR A 7 ? 0.3196 0.4100 0.3753 -0.0068 0.0317 -0.0009 7 TYR A OH 56 N N . HIS A 8 ? 0.2693 0.3903 0.3468 -0.0250 0.0300 0.0145 8 HIS A N 57 C CA . HIS A 8 ? 0.2912 0.4216 0.3745 -0.0249 0.0313 0.0152 8 HIS A CA 58 C C . HIS A 8 ? 0.3224 0.4550 0.4084 -0.0194 0.0317 0.0131 8 HIS A C 59 O O . HIS A 8 ? 0.3221 0.4474 0.4074 -0.0172 0.0299 0.0116 8 HIS A O 60 C CB . HIS A 8 ? 0.2831 0.4127 0.3693 -0.0292 0.0291 0.0170 8 HIS A CB 61 C CG . HIS A 8 ? 0.3582 0.4979 0.4505 -0.0302 0.0298 0.0178 8 HIS A CG 62 N ND1 . HIS A 8 ? 0.3285 0.4784 0.4224 -0.0328 0.0323 0.0191 8 HIS A ND1 63 C CD2 . HIS A 8 ? 0.3242 0.4659 0.4212 -0.0293 0.0283 0.0175 8 HIS A CD2 64 C CE1 . HIS A 8 ? 0.3797 0.5383 0.4795 -0.0335 0.0322 0.0195 8 HIS A CE1 65 N NE2 . HIS A 8 ? 0.3715 0.5251 0.4731 -0.0311 0.0297 0.0185 8 HIS A NE2 66 N N . ALA A 9 ? 0.3213 0.4641 0.4102 -0.0171 0.0342 0.0129 9 ALA A N 67 C CA . ALA A 9 ? 0.2967 0.4431 0.3888 -0.0118 0.0346 0.0115 9 ALA A CA 68 C C . ALA A 9 ? 0.3353 0.4951 0.4338 -0.0131 0.0354 0.0131 9 ALA A C 69 O O . ALA A 9 ? 0.3708 0.5372 0.4702 -0.0177 0.0366 0.0148 9 ALA A O 70 C CB . ALA A 9 ? 0.2939 0.4396 0.3820 -0.0060 0.0370 0.0094 9 ALA A CB 71 N N . ASN A 10 ? 0.2868 0.4505 0.3893 -0.0094 0.0348 0.0126 10 ASN A N 72 C CA . ASN A 10 ? 0.2652 0.4430 0.3741 -0.0103 0.0354 0.0138 10 ASN A CA 73 C C . ASN A 10 ? 0.3023 0.4855 0.4138 -0.0029 0.0359 0.0126 10 ASN A C 74 O O . ASN A 10 ? 0.3603 0.5370 0.4677 0.0031 0.0367 0.0107 10 ASN A O 75 C CB . ASN A 10 ? 0.2578 0.4351 0.3699 -0.0166 0.0327 0.0155 10 ASN A CB 76 C CG . ASN A 10 ? 0.3347 0.5020 0.4466 -0.0150 0.0297 0.0148 10 ASN A CG 77 O OD1 . ASN A 10 ? 0.3254 0.4889 0.4362 -0.0090 0.0296 0.0133 10 ASN A OD1 78 N ND2 . ASN A 10 ? 0.2315 0.3942 0.3439 -0.0205 0.0274 0.0160 10 ASN A ND2 79 N N . ASN A 11 ? 0.2676 0.4625 0.3853 -0.0032 0.0353 0.0135 11 ASN A N 80 C CA . ASN A 11 ? 0.3673 0.5689 0.4873 0.0046 0.0359 0.0125 11 ASN A CA 81 C C . ASN A 11 ? 0.3495 0.5439 0.4700 0.0068 0.0330 0.0123 11 ASN A C 82 O O . ASN A 11 ? 0.3631 0.5638 0.4860 0.0126 0.0329 0.0120 11 ASN A O 83 C CB . ASN A 11 ? 0.3363 0.5580 0.4631 0.0042 0.0374 0.0135 11 ASN A CB 84 C CG . ASN A 11 ? 0.4660 0.6943 0.5981 -0.0033 0.0352 0.0152 11 ASN A CG 85 O OD1 . ASN A 11 ? 0.4400 0.6573 0.5706 -0.0077 0.0326 0.0157 11 ASN A OD1 86 N ND2 . ASN A 11 ? 0.5958 0.8422 0.7339 -0.0047 0.0363 0.0160 11 ASN A ND2 87 N N . SER A 12 ? 0.3824 0.5641 0.5004 0.0025 0.0307 0.0124 12 SER A N 88 C CA . SER A 12 ? 0.3604 0.5346 0.4785 0.0038 0.0280 0.0123 12 SER A CA 89 C C . SER A 12 ? 0.3351 0.5017 0.4490 0.0118 0.0285 0.0106 12 SER A C 90 O O . SER A 12 ? 0.3349 0.4940 0.4433 0.0146 0.0302 0.0093 12 SER A O 91 C CB . SER A 12 ? 0.3731 0.5350 0.4887 -0.0021 0.0258 0.0126 12 SER A CB 92 O OG . SER A 12 ? 0.4219 0.5748 0.5362 -0.0002 0.0236 0.0121 12 SER A OG 93 N N . THR A 13 ? 0.3554 0.5234 0.4713 0.0154 0.0270 0.0108 13 THR A N 94 C CA . THR A 13 ? 0.3520 0.5103 0.4628 0.0226 0.0272 0.0096 13 THR A CA 95 C C . THR A 13 ? 0.3758 0.5238 0.4856 0.0206 0.0244 0.0098 13 THR A C 96 O O . THR A 13 ? 0.3824 0.5214 0.4879 0.0254 0.0241 0.0090 13 THR A O 97 C CB . THR A 13 ? 0.3831 0.5518 0.4957 0.0306 0.0283 0.0096 13 THR A CB 98 O OG1 . THR A 13 ? 0.4109 0.5915 0.5304 0.0288 0.0264 0.0111 13 THR A OG1 99 C CG2 . THR A 13 ? 0.3785 0.5576 0.4918 0.0333 0.0315 0.0092 13 THR A CG2 100 N N . THR A 14 ? 0.3508 0.4999 0.4641 0.0134 0.0224 0.0109 14 THR A N 101 C CA . THR A 14 ? 0.3571 0.4974 0.4697 0.0109 0.0198 0.0111 14 THR A CA 102 C C . THR A 14 ? 0.4160 0.5406 0.5222 0.0103 0.0198 0.0098 14 THR A C 103 O O . THR A 14 ? 0.3799 0.5012 0.4839 0.0075 0.0207 0.0092 14 THR A O 104 C CB . THR A 14 ? 0.4002 0.5450 0.5172 0.0034 0.0179 0.0124 14 THR A CB 105 O OG1 . THR A 14 ? 0.4730 0.6330 0.5958 0.0031 0.0179 0.0135 14 THR A OG1 106 C CG2 . THR A 14 ? 0.3693 0.5059 0.4856 0.0015 0.0153 0.0126 14 THR A CG2 107 N N . GLN A 15 ? 0.3034 0.4188 0.4064 0.0129 0.0188 0.0093 15 GLN A N 108 C CA . GLN A 15 ? 0.3129 0.4142 0.4096 0.0125 0.0190 0.0078 15 GLN A CA 109 C C . GLN A 15 ? 0.3164 0.4107 0.4131 0.0083 0.0167 0.0080 15 GLN A C 110 O O . GLN A 15 ? 0.2894 0.3874 0.3896 0.0075 0.0149 0.0092 15 GLN A O 111 C CB . GLN A 15 ? 0.3169 0.4113 0.4078 0.0193 0.0205 0.0066 15 GLN A CB 112 C CG . GLN A 15 ? 0.3718 0.4732 0.4622 0.0247 0.0230 0.0062 15 GLN A CG 113 C CD . GLN A 15 ? 0.4388 0.5307 0.5216 0.0317 0.0248 0.0049 15 GLN A CD 114 O OE1 . GLN A 15 ? 0.4820 0.5661 0.5615 0.0342 0.0240 0.0049 15 GLN A OE1 115 N NE2 . GLN A 15 ? 0.4878 0.5797 0.5671 0.0349 0.0273 0.0036 15 GLN A NE2 116 N N . VAL A 16 ? 0.3046 0.3895 0.3973 0.0055 0.0166 0.0069 16 VAL A N 117 C CA . VAL A 16 ? 0.2857 0.3634 0.3776 0.0021 0.0148 0.0068 16 VAL A CA 118 C C . VAL A 16 ? 0.2771 0.3430 0.3623 0.0032 0.0156 0.0050 16 VAL A C 119 O O . VAL A 16 ? 0.2565 0.3191 0.3374 0.0055 0.0175 0.0037 16 VAL A O 120 C CB . VAL A 16 ? 0.2539 0.3330 0.3481 -0.0037 0.0135 0.0072 16 VAL A CB 121 C CG1 . VAL A 16 ? 0.1931 0.2822 0.2927 -0.0057 0.0127 0.0089 16 VAL A CG1 122 C CG2 . VAL A 16 ? 0.1801 0.2560 0.2708 -0.0050 0.0146 0.0060 16 VAL A CG2 123 N N . ASP A 17 ? 0.3272 0.3866 0.4110 0.0012 0.0143 0.0048 17 ASP A N 124 C CA . ASP A 17 ? 0.3002 0.3486 0.3776 0.0007 0.0150 0.0031 17 ASP A CA 125 C C . ASP A 17 ? 0.2930 0.3399 0.3710 -0.0049 0.0138 0.0024 17 ASP A C 126 O O . ASP A 17 ? 0.2846 0.3365 0.3672 -0.0076 0.0122 0.0036 17 ASP A O 127 C CB . ASP A 17 ? 0.3038 0.3458 0.3786 0.0026 0.0146 0.0034 17 ASP A CB 128 C CG . ASP A 17 ? 0.4158 0.4579 0.4886 0.0090 0.0158 0.0040 17 ASP A CG 129 O OD1 . ASP A 17 ? 0.4415 0.4857 0.5129 0.0122 0.0175 0.0034 17 ASP A OD1 130 O OD2 . ASP A 17 ? 0.4569 0.4971 0.5292 0.0112 0.0151 0.0049 17 ASP A OD2 131 N N . THR A 18 ? 0.3000 0.3402 0.3728 -0.0063 0.0148 0.0005 18 THR A N 132 C CA . THR A 18 ? 0.2741 0.3131 0.3468 -0.0111 0.0137 -0.0004 18 THR A CA 133 C C . THR A 18 ? 0.3424 0.3718 0.4092 -0.0126 0.0142 -0.0021 18 THR A C 134 O O . THR A 18 ? 0.3191 0.3416 0.3811 -0.0098 0.0157 -0.0026 18 THR A O 135 C CB . THR A 18 ? 0.3051 0.3473 0.3775 -0.0127 0.0140 -0.0012 18 THR A CB 136 O OG1 . THR A 18 ? 0.3186 0.3541 0.3845 -0.0123 0.0157 -0.0034 18 THR A OG1 137 C CG2 . THR A 18 ? 0.2844 0.3343 0.3604 -0.0105 0.0145 0.0003 18 THR A CG2 138 N N . LEU A 19 ? 0.3604 0.3894 0.4273 -0.0170 0.0132 -0.0030 19 LEU A N 139 C CA . LEU A 19 ? 0.3400 0.3609 0.4015 -0.0196 0.0138 -0.0048 19 LEU A CA 140 C C . LEU A 19 ? 0.3595 0.3732 0.4138 -0.0190 0.0158 -0.0069 19 LEU A C 141 O O . LEU A 19 ? 0.4273 0.4315 0.4753 -0.0188 0.0171 -0.0079 19 LEU A O 142 C CB . LEU A 19 ? 0.3134 0.3376 0.3769 -0.0244 0.0123 -0.0056 19 LEU A CB 143 C CG . LEU A 19 ? 0.3609 0.3881 0.4286 -0.0256 0.0108 -0.0043 19 LEU A CG 144 C CD1 . LEU A 19 ? 0.4003 0.4317 0.4696 -0.0296 0.0095 -0.0053 19 LEU A CD1 145 C CD2 . LEU A 19 ? 0.3105 0.3304 0.3748 -0.0251 0.0116 -0.0041 19 LEU A CD2 146 N N . LEU A 20 ? 0.3647 0.3822 0.4193 -0.0185 0.0161 -0.0075 20 LEU A N 147 C CA . LEU A 20 ? 0.4093 0.4203 0.4568 -0.0181 0.0180 -0.0097 20 LEU A CA 148 C C . LEU A 20 ? 0.4064 0.4137 0.4507 -0.0123 0.0200 -0.0094 20 LEU A C 149 O O . LEU A 20 ? 0.3900 0.3892 0.4268 -0.0113 0.0218 -0.0113 20 LEU A O 150 C CB . LEU A 20 ? 0.3827 0.3996 0.4314 -0.0202 0.0175 -0.0106 20 LEU A CB 151 C CG . LEU A 20 ? 0.4004 0.4209 0.4508 -0.0254 0.0157 -0.0114 20 LEU A CG 152 C CD1 . LEU A 20 ? 0.3785 0.4042 0.4289 -0.0266 0.0152 -0.0123 20 LEU A CD1 153 C CD2 . LEU A 20 ? 0.3588 0.3712 0.4034 -0.0292 0.0162 -0.0136 20 LEU A CD2 154 N N . GLU A 21 ? 0.3808 0.3944 0.4305 -0.0084 0.0196 -0.0070 21 GLU A N 155 C CA . GLU A 21 ? 0.3530 0.3669 0.4011 -0.0026 0.0213 -0.0067 21 GLU A CA 156 C C . GLU A 21 ? 0.3490 0.3690 0.4024 0.0014 0.0208 -0.0042 21 GLU A C 157 O O . GLU A 21 ? 0.3794 0.4080 0.4400 -0.0004 0.0190 -0.0025 21 GLU A O 158 C CB . GLU A 21 ? 0.3969 0.4176 0.4466 -0.0025 0.0219 -0.0070 21 GLU A CB 159 C CG . GLU A 21 ? 0.4667 0.4868 0.5130 0.0031 0.0242 -0.0075 21 GLU A CG 160 C CD . GLU A 21 ? 0.5593 0.5858 0.6067 0.0025 0.0248 -0.0080 21 GLU A CD 161 O OE1 . GLU A 21 ? 0.5979 0.6263 0.6436 0.0071 0.0268 -0.0082 21 GLU A OE1 162 O OE2 . GLU A 21 ? 0.5452 0.5751 0.5949 -0.0024 0.0234 -0.0081 21 GLU A OE2 163 N N . LYS A 22 ? 0.3131 0.3284 0.3624 0.0069 0.0222 -0.0040 22 LYS A N 164 C CA . LYS A 22 ? 0.3290 0.3509 0.3830 0.0113 0.0217 -0.0018 22 LYS A CA 165 C C . LYS A 22 ? 0.3139 0.3454 0.3711 0.0156 0.0228 -0.0012 22 LYS A C 166 O O . LYS A 22 ? 0.3468 0.3763 0.4000 0.0172 0.0246 -0.0027 22 LYS A O 167 C CB . LYS A 22 ? 0.3128 0.3247 0.3605 0.0155 0.0225 -0.0017 22 LYS A CB 168 C CG . LYS A 22 ? 0.4720 0.4770 0.5181 0.0113 0.0213 -0.0017 22 LYS A CG 169 C CD . LYS A 22 ? 0.6099 0.6050 0.6494 0.0157 0.0221 -0.0011 22 LYS A CD 170 C CE . LYS A 22 ? 0.6920 0.6824 0.7312 0.0116 0.0208 -0.0006 22 LYS A CE 171 N NZ . LYS A 22 ? 0.7816 0.7658 0.8164 0.0165 0.0210 0.0009 22 LYS A NZ 172 N N . ASN A 23 ? 0.4225 0.4650 0.4869 0.0171 0.0217 0.0008 23 ASN A N 173 C CA . ASN A 23 ? 0.4319 0.4847 0.4996 0.0216 0.0229 0.0016 23 ASN A CA 174 C C . ASN A 23 ? 0.4337 0.4919 0.5028 0.0191 0.0238 0.0009 23 ASN A C 175 O O . ASN A 23 ? 0.4114 0.4698 0.4772 0.0229 0.0260 -0.0001 23 ASN A O 176 C CB . ASN A 23 ? 0.4603 0.5076 0.5216 0.0293 0.0249 0.0009 23 ASN A CB 177 C CG . ASN A 23 ? 0.6225 0.6704 0.6846 0.0335 0.0239 0.0025 23 ASN A CG 178 O OD1 . ASN A 23 ? 0.6620 0.7170 0.7305 0.0309 0.0218 0.0041 23 ASN A OD1 179 N ND2 . ASN A 23 ? 0.6540 0.6938 0.7087 0.0404 0.0255 0.0020 23 ASN A ND2 180 N N . VAL A 24 ? 0.3671 0.4293 0.4407 0.0130 0.0222 0.0015 24 VAL A N 181 C CA . VAL A 24 ? 0.3791 0.4466 0.4541 0.0103 0.0228 0.0013 24 VAL A CA 182 C C . VAL A 24 ? 0.3608 0.4417 0.4431 0.0097 0.0225 0.0033 24 VAL A C 183 O O . VAL A 24 ? 0.3771 0.4622 0.4643 0.0069 0.0206 0.0048 24 VAL A O 184 C CB . VAL A 24 ? 0.3731 0.4361 0.4475 0.0042 0.0213 0.0007 24 VAL A CB 185 C CG1 . VAL A 24 ? 0.2876 0.3555 0.3627 0.0017 0.0219 0.0007 24 VAL A CG1 186 C CG2 . VAL A 24 ? 0.3730 0.4237 0.4404 0.0038 0.0216 -0.0014 24 VAL A CG2 187 N N . THR A 25 ? 0.3179 0.4057 0.4005 0.0123 0.0246 0.0032 25 THR A N 188 C CA . THR A 25 ? 0.3284 0.4298 0.4177 0.0112 0.0246 0.0050 25 THR A CA 189 C C . THR A 25 ? 0.2695 0.3726 0.3606 0.0047 0.0237 0.0058 25 THR A C 190 O O . THR A 25 ? 0.2739 0.3727 0.3611 0.0033 0.0245 0.0047 25 THR A O 191 C CB . THR A 25 ? 0.3059 0.4152 0.3949 0.0161 0.0274 0.0047 25 THR A CB 192 O OG1 . THR A 25 ? 0.3648 0.4701 0.4502 0.0231 0.0284 0.0037 25 THR A OG1 193 C CG2 . THR A 25 ? 0.2665 0.3911 0.3629 0.0149 0.0275 0.0066 25 THR A CG2 194 N N . VAL A 26 ? 0.2424 0.3514 0.3388 0.0009 0.0220 0.0076 26 VAL A N 195 C CA . VAL A 26 ? 0.3024 0.4120 0.3997 -0.0050 0.0211 0.0086 26 VAL A CA 196 C C . VAL A 26 ? 0.2936 0.4147 0.3957 -0.0075 0.0216 0.0104 26 VAL A C 197 O O . VAL A 26 ? 0.2993 0.4286 0.4055 -0.0060 0.0216 0.0111 26 VAL A O 198 C CB . VAL A 26 ? 0.2696 0.3725 0.3673 -0.0085 0.0184 0.0089 26 VAL A CB 199 C CG1 . VAL A 26 ? 0.2033 0.2954 0.2960 -0.0075 0.0180 0.0071 26 VAL A CG1 200 C CG2 . VAL A 26 ? 0.1966 0.3029 0.2983 -0.0080 0.0169 0.0099 26 VAL A CG2 201 N N . THR A 27 ? 0.3016 0.4236 0.4028 -0.0117 0.0219 0.0112 27 THR A N 202 C CA . THR A 27 ? 0.3034 0.4354 0.4078 -0.0150 0.0229 0.0129 27 THR A CA 203 C C . THR A 27 ? 0.3229 0.4580 0.4314 -0.0189 0.0209 0.0144 27 THR A C 204 O O . THR A 27 ? 0.3705 0.5161 0.4831 -0.0202 0.0214 0.0154 27 THR A O 205 C CB . THR A 27 ? 0.2871 0.4172 0.3881 -0.0187 0.0237 0.0135 27 THR A CB 206 O OG1 . THR A 27 ? 0.2449 0.3660 0.3435 -0.0221 0.0215 0.0140 27 THR A OG1 207 C CG2 . THR A 27 ? 0.2436 0.3713 0.3403 -0.0150 0.0258 0.0119 27 THR A CG2 208 N N . HIS A 28 ? 0.3121 0.4383 0.4192 -0.0208 0.0185 0.0144 28 HIS A N 209 C CA . HIS A 28 ? 0.2619 0.3891 0.3718 -0.0243 0.0165 0.0155 28 HIS A CA 210 C C . HIS A 28 ? 0.2954 0.4145 0.4046 -0.0225 0.0144 0.0146 28 HIS A C 211 O O . HIS A 28 ? 0.3156 0.4265 0.4213 -0.0207 0.0142 0.0135 28 HIS A O 212 C CB . HIS A 28 ? 0.2152 0.3397 0.3232 -0.0302 0.0159 0.0170 28 HIS A CB 213 C CG . HIS A 28 ? 0.3540 0.4851 0.4616 -0.0327 0.0181 0.0180 28 HIS A CG 214 N ND1 . HIS A 28 ? 0.3183 0.4470 0.4222 -0.0316 0.0198 0.0176 28 HIS A ND1 215 C CD2 . HIS A 28 ? 0.2485 0.3890 0.3589 -0.0364 0.0191 0.0192 28 HIS A CD2 216 C CE1 . HIS A 28 ? 0.3092 0.4452 0.4134 -0.0344 0.0217 0.0188 28 HIS A CE1 217 N NE2 . HIS A 28 ? 0.3034 0.4468 0.4116 -0.0375 0.0214 0.0197 28 HIS A NE2 218 N N . SER A 29 ? 0.2935 0.4153 0.4058 -0.0233 0.0128 0.0151 29 SER A N 219 C CA . SER A 29 ? 0.3064 0.4214 0.4181 -0.0218 0.0109 0.0145 29 SER A CA 220 C C . SER A 29 ? 0.2774 0.3962 0.3923 -0.0243 0.0092 0.0154 29 SER A C 221 O O . SER A 29 ? 0.3050 0.4330 0.4230 -0.0265 0.0095 0.0162 29 SER A O 222 C CB . SER A 29 ? 0.2829 0.3965 0.3939 -0.0160 0.0117 0.0132 29 SER A CB 223 O OG . SER A 29 ? 0.2456 0.3688 0.3598 -0.0130 0.0126 0.0135 29 SER A OG 224 N N . VAL A 30 ? 0.3350 0.4470 0.4490 -0.0244 0.0073 0.0151 30 VAL A N 225 C CA . VAL A 30 ? 0.3244 0.4388 0.4406 -0.0267 0.0054 0.0157 30 VAL A CA 226 C C . VAL A 30 ? 0.3617 0.4728 0.4779 -0.0229 0.0043 0.0149 30 VAL A C 227 O O . VAL A 30 ? 0.3440 0.4467 0.4572 -0.0211 0.0043 0.0141 30 VAL A O 228 C CB . VAL A 30 ? 0.3320 0.4406 0.4460 -0.0318 0.0041 0.0163 30 VAL A CB 229 C CG1 . VAL A 30 ? 0.3373 0.4354 0.4474 -0.0308 0.0038 0.0156 30 VAL A CG1 230 C CG2 . VAL A 30 ? 0.3736 0.4832 0.4890 -0.0340 0.0021 0.0166 30 VAL A CG2 231 N N . GLU A 31 ? 0.3569 0.4751 0.4762 -0.0219 0.0035 0.0153 31 GLU A N 232 C CA . GLU A 31 ? 0.3174 0.4329 0.4363 -0.0186 0.0023 0.0149 31 GLU A CA 233 C C . GLU A 31 ? 0.3570 0.4682 0.4754 -0.0221 0.0001 0.0151 31 GLU A C 234 O O . GLU A 31 ? 0.3738 0.4894 0.4939 -0.0264 -0.0008 0.0157 31 GLU A O 235 C CB . GLU A 31 ? 0.3423 0.4682 0.4646 -0.0150 0.0024 0.0153 31 GLU A CB 236 C CG . GLU A 31 ? 0.3663 0.4902 0.4880 -0.0118 0.0009 0.0152 31 GLU A CG 237 C CD . GLU A 31 ? 0.3875 0.5007 0.5048 -0.0076 0.0017 0.0145 31 GLU A CD 238 O OE1 . GLU A 31 ? 0.3895 0.4940 0.5042 -0.0093 0.0007 0.0142 31 GLU A OE1 239 O OE2 . GLU A 31 ? 0.3315 0.4449 0.4473 -0.0028 0.0033 0.0142 31 GLU A OE2 240 N N . LEU A 32 ? 0.3514 0.4537 0.4670 -0.0206 -0.0005 0.0145 32 LEU A N 241 C CA . LEU A 32 ? 0.3064 0.4036 0.4208 -0.0236 -0.0023 0.0145 32 LEU A CA 242 C C . LEU A 32 ? 0.3225 0.4211 0.4375 -0.0219 -0.0038 0.0146 32 LEU A C 243 O O . LEU A 32 ? 0.3434 0.4391 0.4576 -0.0242 -0.0054 0.0145 32 LEU A O 244 C CB . LEU A 32 ? 0.2856 0.3729 0.3965 -0.0235 -0.0021 0.0138 32 LEU A CB 245 C CG . LEU A 32 ? 0.3308 0.4156 0.4402 -0.0247 -0.0009 0.0136 32 LEU A CG 246 C CD1 . LEU A 32 ? 0.3448 0.4216 0.4512 -0.0239 -0.0009 0.0127 32 LEU A CD1 247 C CD2 . LEU A 32 ? 0.2776 0.3636 0.3870 -0.0290 -0.0014 0.0144 32 LEU A CD2 248 N N . LEU A 33 ? 0.3131 0.4160 0.4292 -0.0174 -0.0032 0.0147 33 LEU A N 249 C CA . LEU A 33 ? 0.3054 0.4091 0.4213 -0.0149 -0.0046 0.0149 33 LEU A CA 250 C C . LEU A 33 ? 0.3528 0.4685 0.4725 -0.0141 -0.0054 0.0156 33 LEU A C 251 O O . LEU A 33 ? 0.3770 0.5003 0.4990 -0.0123 -0.0042 0.0158 33 LEU A O 252 C CB . LEU A 33 ? 0.3404 0.4378 0.4530 -0.0096 -0.0034 0.0146 33 LEU A CB 253 C CG . LEU A 33 ? 0.3111 0.4069 0.4220 -0.0064 -0.0045 0.0150 33 LEU A CG 254 C CD1 . LEU A 33 ? 0.2657 0.3502 0.3717 -0.0044 -0.0035 0.0144 33 LEU A CD1 255 C CD2 . LEU A 33 ? 0.2893 0.3937 0.4019 -0.0016 -0.0045 0.0157 33 LEU A CD2 256 N N . GLU A 34 ? 0.4104 0.5283 0.5307 -0.0155 -0.0075 0.0158 34 GLU A N 257 C CA . GLU A 34 ? 0.3748 0.5050 0.4987 -0.0145 -0.0087 0.0163 34 GLU A CA 258 C C . GLU A 34 ? 0.3554 0.4859 0.4779 -0.0083 -0.0093 0.0167 34 GLU A C 259 O O . GLU A 34 ? 0.3704 0.4930 0.4896 -0.0076 -0.0103 0.0166 34 GLU A O 260 C CB . GLU A 34 ? 0.4190 0.5526 0.5441 -0.0205 -0.0109 0.0162 34 GLU A CB 261 C CG . GLU A 34 ? 0.4311 0.5795 0.5604 -0.0206 -0.0122 0.0166 34 GLU A CG 262 C CD . GLU A 34 ? 0.5160 0.6754 0.6492 -0.0192 -0.0106 0.0169 34 GLU A CD 263 O OE1 . GLU A 34 ? 0.5681 0.7331 0.7035 -0.0248 -0.0102 0.0169 34 GLU A OE1 264 O OE2 . GLU A 34 ? 0.5359 0.6982 0.6695 -0.0125 -0.0095 0.0172 34 GLU A OE2 265 N N . ASN A 35 ? 0.3871 0.5269 0.5117 -0.0035 -0.0088 0.0172 35 ASN A N 266 C CA . ASN A 35 ? 0.3677 0.5084 0.4905 0.0031 -0.0094 0.0178 35 ASN A CA 267 C C . ASN A 35 ? 0.3636 0.5195 0.4906 0.0039 -0.0114 0.0183 35 ASN A C 268 O O . ASN A 35 ? 0.4122 0.5715 0.5382 0.0103 -0.0120 0.0190 35 ASN A O 269 C CB . ASN A 35 ? 0.3137 0.4509 0.4338 0.0099 -0.0071 0.0179 35 ASN A CB 270 C CG . ASN A 35 ? 0.4123 0.5606 0.5365 0.0110 -0.0056 0.0178 35 ASN A CG 271 O OD1 . ASN A 35 ? 0.4470 0.6068 0.5763 0.0066 -0.0063 0.0179 35 ASN A OD1 272 N ND2 . ASN A 35 ? 0.3504 0.4951 0.4718 0.0168 -0.0034 0.0177 35 ASN A ND2 273 N N . GLN A 36 ? 0.3738 0.5383 0.5050 -0.0025 -0.0126 0.0180 36 GLN A N 274 C CA . GLN A 36 ? 0.3929 0.5737 0.5287 -0.0031 -0.0143 0.0183 36 GLN A CA 275 C C . GLN A 36 ? 0.4178 0.5995 0.5535 -0.0081 -0.0172 0.0180 36 GLN A C 276 O O . GLN A 36 ? 0.3855 0.5599 0.5197 -0.0144 -0.0175 0.0174 36 GLN A O 277 C CB . GLN A 36 ? 0.4036 0.5946 0.5440 -0.0078 -0.0132 0.0180 36 GLN A CB 278 C CG . GLN A 36 ? 0.5377 0.7465 0.6831 -0.0041 -0.0129 0.0184 36 GLN A CG 279 C CD . GLN A 36 ? 0.5993 0.8067 0.7429 0.0057 -0.0113 0.0189 36 GLN A CD 280 O OE1 . GLN A 36 ? 0.5197 0.7134 0.6588 0.0083 -0.0096 0.0188 36 GLN A OE1 281 N NE2 . GLN A 36 ? 0.7233 0.9452 0.8700 0.0111 -0.0119 0.0194 36 GLN A NE2 282 N N . LYS A 37 ? 0.4873 0.6779 0.6240 -0.0049 -0.0192 0.0184 37 LYS A N 283 C CA . LYS A 37 ? 0.4956 0.6878 0.6318 -0.0091 -0.0222 0.0180 37 LYS A CA 284 C C . LYS A 37 ? 0.5181 0.7299 0.6595 -0.0102 -0.0242 0.0180 37 LYS A C 285 O O . LYS A 37 ? 0.5914 0.8150 0.7360 -0.0044 -0.0237 0.0186 37 LYS A O 286 C CB . LYS A 37 ? 0.4400 0.6224 0.5709 -0.0038 -0.0232 0.0185 37 LYS A CB 287 C CG . LYS A 37 ? 0.4802 0.6624 0.6096 0.0058 -0.0218 0.0196 37 LYS A CG 288 C CD . LYS A 37 ? 0.4335 0.6100 0.5579 0.0115 -0.0231 0.0204 37 LYS A CD 289 C CE . LYS A 37 ? 0.4609 0.6352 0.5827 0.0209 -0.0214 0.0215 37 LYS A CE 290 N NZ . LYS A 37 ? 0.6708 0.8413 0.7874 0.0275 -0.0227 0.0226 37 LYS A NZ 291 N N . GLU A 38 ? 0.4361 0.6516 0.5781 -0.0174 -0.0265 0.0172 38 GLU A N 292 C CA . GLU A 38 ? 0.4201 0.6537 0.5662 -0.0184 -0.0291 0.0170 38 GLU A CA 293 C C . GLU A 38 ? 0.4474 0.6785 0.5900 -0.0141 -0.0316 0.0173 38 GLU A C 294 O O . GLU A 38 ? 0.4303 0.6501 0.5685 -0.0180 -0.0327 0.0167 38 GLU A O 295 C CB . GLU A 38 ? 0.3918 0.6315 0.5400 -0.0293 -0.0302 0.0158 38 GLU A CB 296 C CG . GLU A 38 ? 0.4416 0.6849 0.5929 -0.0342 -0.0278 0.0157 38 GLU A CG 297 C CD . GLU A 38 ? 0.5381 0.7817 0.6890 -0.0458 -0.0285 0.0145 38 GLU A CD 298 O OE1 . GLU A 38 ? 0.4827 0.7259 0.6315 -0.0500 -0.0312 0.0136 38 GLU A OE1 299 O OE2 . GLU A 38 ? 0.5738 0.8173 0.7258 -0.0507 -0.0265 0.0145 38 GLU A OE2 300 N N . LYS A 39 ? 0.4012 0.6422 0.5451 -0.0059 -0.0324 0.0183 39 LYS A N 301 C CA . LYS A 39 ? 0.3794 0.6166 0.5190 -0.0004 -0.0345 0.0190 39 LYS A CA 302 C C . LYS A 39 ? 0.4177 0.6642 0.5581 -0.0057 -0.0381 0.0181 39 LYS A C 303 O O . LYS A 39 ? 0.4115 0.6733 0.5543 -0.0019 -0.0404 0.0185 39 LYS A O 304 C CB . LYS A 39 ? 0.3567 0.6009 0.4965 0.0108 -0.0342 0.0205 39 LYS A CB 305 C CG . LYS A 39 ? 0.3956 0.6321 0.5345 0.0160 -0.0306 0.0211 39 LYS A CG 306 C CD . LYS A 39 ? 0.4900 0.7186 0.6233 0.0268 -0.0299 0.0226 39 LYS A CD 307 C CE . LYS A 39 ? 0.6359 0.8811 0.7722 0.0353 -0.0303 0.0236 39 LYS A CE 308 N NZ . LYS A 39 ? 0.8015 1.0367 0.9309 0.0464 -0.0294 0.0251 39 LYS A NZ 309 N N . ARG A 40 ? 0.4125 0.6496 0.5504 -0.0142 -0.0387 0.0168 40 ARG A N 310 C CA . ARG A 40 ? 0.3972 0.6405 0.5347 -0.0205 -0.0419 0.0156 40 ARG A CA 311 C C . ARG A 40 ? 0.4110 0.6372 0.5432 -0.0274 -0.0418 0.0144 40 ARG A C 312 O O . ARG A 40 ? 0.4230 0.6349 0.5529 -0.0282 -0.0393 0.0144 40 ARG A O 313 C CB . ARG A 40 ? 0.4535 0.7158 0.5975 -0.0271 -0.0429 0.0147 40 ARG A CB 314 C CG . ARG A 40 ? 0.4567 0.7147 0.6024 -0.0343 -0.0404 0.0140 40 ARG A CG 315 C CD . ARG A 40 ? 0.5142 0.7911 0.6657 -0.0414 -0.0413 0.0131 40 ARG A CD 316 N NE . ARG A 40 ? 0.5761 0.8476 0.7281 -0.0486 -0.0387 0.0127 40 ARG A NE 317 C CZ . ARG A 40 ? 0.5899 0.8721 0.7449 -0.0579 -0.0390 0.0117 40 ARG A CZ 318 N NH1 . ARG A 40 ? 0.6359 0.9358 0.7943 -0.0615 -0.0418 0.0108 40 ARG A NH1 319 N NH2 . ARG A 40 ? 0.5730 0.8483 0.7275 -0.0638 -0.0364 0.0115 40 ARG A NH2 320 N N . PHE A 41 ? 0.3705 0.5986 0.5004 -0.0321 -0.0447 0.0132 41 PHE A N 321 C CA . PHE A 41 ? 0.3952 0.6084 0.5196 -0.0389 -0.0449 0.0118 41 PHE A CA 322 C C . PHE A 41 ? 0.4492 0.6684 0.5751 -0.0496 -0.0458 0.0101 41 PHE A C 323 O O . PHE A 41 ? 0.5166 0.7530 0.6465 -0.0525 -0.0480 0.0095 41 PHE A O 324 C CB . PHE A 41 ? 0.3826 0.5902 0.5015 -0.0368 -0.0472 0.0116 41 PHE A CB 325 C CG . PHE A 41 ? 0.4082 0.6050 0.5235 -0.0279 -0.0458 0.0132 41 PHE A CG 326 C CD1 . PHE A 41 ? 0.3929 0.5729 0.5050 -0.0271 -0.0429 0.0134 41 PHE A CD1 327 C CD2 . PHE A 41 ? 0.3718 0.5753 0.4865 -0.0203 -0.0474 0.0145 41 PHE A CD2 328 C CE1 . PHE A 41 ? 0.3444 0.5145 0.4529 -0.0198 -0.0415 0.0147 41 PHE A CE1 329 C CE2 . PHE A 41 ? 0.4014 0.5936 0.5118 -0.0127 -0.0459 0.0160 41 PHE A CE2 330 C CZ . PHE A 41 ? 0.3692 0.5449 0.4766 -0.0128 -0.0429 0.0161 41 PHE A CZ 331 N N . CYS A 42 ? 0.3985 0.6037 0.5209 -0.0554 -0.0442 0.0092 42 CYS A N 332 C CA . CYS A 42 ? 0.3875 0.5950 0.5098 -0.0658 -0.0446 0.0077 42 CYS A CA 333 C C . CYS A 42 ? 0.3828 0.5736 0.4972 -0.0711 -0.0452 0.0061 42 CYS A C 334 O O . CYS A 42 ? 0.4294 0.6084 0.5393 -0.0666 -0.0452 0.0062 42 CYS A O 335 C CB . CYS A 42 ? 0.3701 0.5771 0.4954 -0.0681 -0.0416 0.0083 42 CYS A CB 336 S SG . CYS A 42 ? 0.5405 0.7668 0.6747 -0.0620 -0.0405 0.0099 42 CYS A SG 337 N N . LYS A 43 ? 0.4047 0.5944 0.5171 -0.0808 -0.0455 0.0046 43 LYS A N 338 C CA . LYS A 43 ? 0.4948 0.6672 0.5988 -0.0859 -0.0456 0.0031 43 LYS A CA 339 C C . LYS A 43 ? 0.4875 0.6429 0.5885 -0.0835 -0.0425 0.0038 43 LYS A C 340 O O . LYS A 43 ? 0.4984 0.6561 0.6035 -0.0818 -0.0402 0.0051 43 LYS A O 341 C CB . LYS A 43 ? 0.5584 0.7337 0.6601 -0.0973 -0.0467 0.0013 43 LYS A CB 342 C CG . LYS A 43 ? 0.6163 0.8118 0.7223 -0.1006 -0.0498 0.0005 43 LYS A CG 343 C CD . LYS A 43 ? 0.6485 0.8479 0.7526 -0.1128 -0.0505 -0.0012 43 LYS A CD 344 C CE . LYS A 43 ? 0.8050 1.0286 0.9156 -0.1158 -0.0531 -0.0017 43 LYS A CE 345 N NZ . LYS A 43 ? 0.9457 1.1750 1.0552 -0.1285 -0.0535 -0.0033 43 LYS A NZ 346 N N . ILE A 44 ? 0.4652 0.6042 0.5590 -0.0831 -0.0424 0.0030 44 ILE A N 347 C CA . ILE A 44 ? 0.4816 0.6045 0.5717 -0.0814 -0.0397 0.0034 44 ILE A CA 348 C C . ILE A 44 ? 0.5818 0.6914 0.6636 -0.0885 -0.0400 0.0016 44 ILE A C 349 O O . ILE A 44 ? 0.5675 0.6731 0.6441 -0.0905 -0.0420 0.0000 44 ILE A O 350 C CB . ILE A 44 ? 0.5086 0.6236 0.5974 -0.0729 -0.0389 0.0041 44 ILE A CB 351 C CG1 . ILE A 44 ? 0.4348 0.5603 0.5306 -0.0657 -0.0382 0.0059 44 ILE A CG1 352 C CG2 . ILE A 44 ? 0.4484 0.5474 0.5330 -0.0717 -0.0365 0.0041 44 ILE A CG2 353 C CD1 . ILE A 44 ? 0.4342 0.5618 0.5343 -0.0650 -0.0358 0.0071 44 ILE A CD1 354 N N . MET A 45 ? 0.8328 0.9351 0.9126 -0.0923 -0.0381 0.0018 45 MET A N 355 C CA . MET A 45 ? 0.9044 0.9934 0.9754 -0.0995 -0.0381 0.0003 45 MET A CA 356 C C . MET A 45 ? 0.9040 1.0014 0.9738 -0.1081 -0.0406 -0.0013 45 MET A C 357 O O . MET A 45 ? 0.9428 1.0303 1.0044 -0.1132 -0.0417 -0.0032 45 MET A O 358 C CB . MET A 45 ? 0.9246 0.9970 0.9877 -0.0961 -0.0381 -0.0007 45 MET A CB 359 C CG . MET A 45 ? 0.9630 1.0280 1.0272 -0.0880 -0.0358 0.0006 45 MET A CG 360 S SD . MET A 45 ? 1.2506 1.2993 1.3085 -0.0898 -0.0333 0.0009 45 MET A SD 361 C CE . MET A 45 ? 1.1399 1.1714 1.1857 -0.0921 -0.0343 -0.0014 45 MET A CE 362 N N . ASN A 46 ? 0.8194 0.9357 0.8974 -0.1094 -0.0413 -0.0006 46 ASN A N 363 C CA . ASN A 46 ? 0.8242 0.9532 0.9031 -0.1170 -0.0438 -0.0020 46 ASN A CA 364 C C . ASN A 46 ? 0.8034 0.9322 0.8786 -0.1166 -0.0468 -0.0037 46 ASN A C 365 O O . ASN A 46 ? 0.7784 0.9127 0.8512 -0.1243 -0.0490 -0.0055 46 ASN A O 366 C CB . ASN A 46 ? 0.8660 0.9886 0.9391 -0.1280 -0.0432 -0.0031 46 ASN A CB 367 C CG . ASN A 46 ? 0.9926 1.1347 1.0721 -0.1350 -0.0438 -0.0031 46 ASN A CG 368 O OD1 . ASN A 46 ? 0.9940 1.1531 1.0786 -0.1357 -0.0463 -0.0037 46 ASN A OD1 369 N ND2 . ASN A 46 ? 1.0129 1.1532 1.0922 -0.1400 -0.0415 -0.0023 46 ASN A ND2 370 N N . LYS A 47 ? 0.7317 0.8545 0.8062 -0.1079 -0.0467 -0.0032 47 LYS A N 371 C CA . LYS A 47 ? 0.5650 0.6894 0.6369 -0.1062 -0.0494 -0.0044 47 LYS A CA 372 C C . LYS A 47 ? 0.5770 0.7171 0.6569 -0.0984 -0.0504 -0.0028 47 LYS A C 373 O O . LYS A 47 ? 0.5911 0.7317 0.6757 -0.0911 -0.0484 -0.0008 47 LYS A O 374 C CB . LYS A 47 ? 0.5855 0.6907 0.6492 -0.1026 -0.0487 -0.0051 47 LYS A CB 375 C CG . LYS A 47 ? 0.6753 0.7808 0.7347 -0.1019 -0.0514 -0.0067 47 LYS A CG 376 C CD . LYS A 47 ? 0.6272 0.7161 0.6799 -0.0965 -0.0503 -0.0070 47 LYS A CD 377 C CE . LYS A 47 ? 0.7879 0.8584 0.8319 -0.1006 -0.0487 -0.0084 47 LYS A CE 378 N NZ . LYS A 47 ? 0.8555 0.9114 0.8928 -0.0953 -0.0477 -0.0090 47 LYS A NZ 379 N N . ALA A 48 ? 0.5868 0.7393 0.6679 -0.0998 -0.0535 -0.0037 48 ALA A N 380 C CA . ALA A 48 ? 0.5416 0.7103 0.6298 -0.0926 -0.0548 -0.0021 48 ALA A CA 381 C C . ALA A 48 ? 0.4453 0.6061 0.5310 -0.0835 -0.0546 -0.0012 48 ALA A C 382 O O . ALA A 48 ? 0.5092 0.6556 0.5875 -0.0840 -0.0546 -0.0023 48 ALA A O 383 C CB . ALA A 48 ? 0.4297 0.6157 0.5198 -0.0976 -0.0584 -0.0034 48 ALA A CB 384 N N . PRO A 49 ? 0.2977 0.4674 0.3891 -0.0751 -0.0542 0.0010 49 PRO A N 385 C CA . PRO A 49 ? 0.3422 0.5062 0.4310 -0.0668 -0.0543 0.0020 49 PRO A CA 386 C C . PRO A 49 ? 0.4187 0.5913 0.5055 -0.0664 -0.0579 0.0013 49 PRO A C 387 O O . PRO A 49 ? 0.4446 0.6323 0.5345 -0.0709 -0.0604 0.0005 49 PRO A O 388 C CB . PRO A 49 ? 0.2659 0.4363 0.3610 -0.0588 -0.0525 0.0045 49 PRO A CB 389 C CG . PRO A 49 ? 0.2878 0.4753 0.3897 -0.0621 -0.0533 0.0046 49 PRO A CG 390 C CD . PRO A 49 ? 0.2777 0.4618 0.3775 -0.0726 -0.0533 0.0026 49 PRO A CD 391 N N . LEU A 50 ? 0.3772 0.5414 0.4590 -0.0611 -0.0581 0.0017 50 LEU A N 392 C CA . LEU A 50 ? 0.3202 0.4918 0.3996 -0.0595 -0.0613 0.0014 50 LEU A CA 393 C C . LEU A 50 ? 0.3707 0.5523 0.4540 -0.0501 -0.0617 0.0040 50 LEU A C 394 O O . LEU A 50 ? 0.3712 0.5434 0.4527 -0.0431 -0.0596 0.0057 50 LEU A O 395 C CB . LEU A 50 ? 0.3624 0.5186 0.4330 -0.0595 -0.0614 0.0002 50 LEU A CB 396 C CG . LEU A 50 ? 0.4280 0.5895 0.4947 -0.0570 -0.0645 -0.0001 50 LEU A CG 397 C CD1 . LEU A 50 ? 0.3833 0.5594 0.4512 -0.0640 -0.0683 -0.0020 50 LEU A CD1 398 C CD2 . LEU A 50 ? 0.3388 0.4841 0.3967 -0.0566 -0.0639 -0.0011 50 LEU A CD2 399 N N . ASP A 51 ? 0.4520 0.6523 0.5401 -0.0499 -0.0644 0.0042 51 ASP A N 400 C CA . ASP A 51 ? 0.4086 0.6191 0.4994 -0.0404 -0.0652 0.0067 51 ASP A CA 401 C C . ASP A 51 ? 0.4422 0.6520 0.5269 -0.0373 -0.0679 0.0067 51 ASP A C 402 O O . ASP A 51 ? 0.4843 0.6998 0.5668 -0.0431 -0.0709 0.0046 51 ASP A O 403 C CB . ASP A 51 ? 0.4401 0.6727 0.5389 -0.0409 -0.0669 0.0069 51 ASP A CB 404 C CG . ASP A 51 ? 0.4731 0.7146 0.5751 -0.0299 -0.0668 0.0097 51 ASP A CG 405 O OD1 . ASP A 51 ? 0.4579 0.6889 0.5550 -0.0224 -0.0659 0.0114 51 ASP A OD1 406 O OD2 . ASP A 51 ? 0.4576 0.7167 0.5665 -0.0288 -0.0676 0.0102 51 ASP A OD2 407 N N . LEU A 52 ? 0.4502 0.6526 0.5317 -0.0286 -0.0667 0.0089 52 LEU A N 408 C CA . LEU A 52 ? 0.4812 0.6814 0.5561 -0.0252 -0.0689 0.0092 52 LEU A CA 409 C C . LEU A 52 ? 0.4745 0.6918 0.5518 -0.0184 -0.0717 0.0110 52 LEU A C 410 O O . LEU A 52 ? 0.4692 0.6877 0.5413 -0.0151 -0.0741 0.0114 52 LEU A O 411 C CB . LEU A 52 ? 0.4672 0.6485 0.5358 -0.0201 -0.0658 0.0106 52 LEU A CB 412 C CG . LEU A 52 ? 0.3744 0.5390 0.4393 -0.0258 -0.0634 0.0088 52 LEU A CG 413 C CD1 . LEU A 52 ? 0.3832 0.5321 0.4420 -0.0207 -0.0608 0.0101 52 LEU A CD1 414 C CD2 . LEU A 52 ? 0.3734 0.5382 0.4345 -0.0337 -0.0660 0.0058 52 LEU A CD2 415 N N . LYS A 53 ? 0.4610 0.6914 0.5458 -0.0161 -0.0714 0.0120 53 LYS A N 416 C CA . LYS A 53 ? 0.4717 0.7209 0.5599 -0.0095 -0.0742 0.0135 53 LYS A CA 417 C C . LYS A 53 ? 0.4992 0.7434 0.5811 0.0008 -0.0746 0.0161 53 LYS A C 418 O O . LYS A 53 ? 0.5313 0.7643 0.6111 0.0077 -0.0716 0.0183 53 LYS A O 419 C CB . LYS A 53 ? 0.4545 0.7214 0.5450 -0.0162 -0.0785 0.0113 53 LYS A CB 420 C CG . LYS A 53 ? 0.4496 0.7322 0.5489 -0.0225 -0.0788 0.0099 53 LYS A CG 421 C CD . LYS A 53 ? 0.5186 0.8013 0.6172 -0.0354 -0.0802 0.0065 53 LYS A CD 422 C CE . LYS A 53 ? 0.5604 0.8595 0.6675 -0.0421 -0.0803 0.0053 53 LYS A CE 423 N NZ . LYS A 53 ? 0.6351 0.9350 0.7407 -0.0553 -0.0819 0.0020 53 LYS A NZ 424 N N . ASP A 54 ? 0.4825 0.7345 0.5608 0.0017 -0.0784 0.0159 54 ASP A N 425 C CA . ASP A 54 ? 0.4974 0.7458 0.5692 0.0117 -0.0792 0.0185 54 ASP A CA 426 C C . ASP A 54 ? 0.4783 0.7080 0.5406 0.0101 -0.0784 0.0182 54 ASP A C 427 O O . ASP A 54 ? 0.4996 0.7247 0.5549 0.0170 -0.0791 0.0202 54 ASP A O 428 C CB . ASP A 54 ? 0.4423 0.7119 0.5155 0.0154 -0.0839 0.0189 54 ASP A CB 429 C CG . ASP A 54 ? 0.5846 0.8542 0.6534 0.0284 -0.0841 0.0225 54 ASP A CG 430 O OD1 . ASP A 54 ? 0.5942 0.8516 0.6615 0.0345 -0.0804 0.0247 54 ASP A OD1 431 O OD2 . ASP A 54 ? 0.7660 1.0474 0.8323 0.0325 -0.0880 0.0232 54 ASP A OD2 432 N N . CYS A 55 ? 0.4815 0.7005 0.5432 0.0013 -0.0768 0.0157 55 CYS A N 433 C CA . CYS A 55 ? 0.4757 0.6769 0.5289 -0.0004 -0.0756 0.0152 55 CYS A CA 434 C C . CYS A 55 ? 0.4869 0.6699 0.5389 0.0008 -0.0706 0.0161 55 CYS A C 435 O O . CYS A 55 ? 0.4731 0.6557 0.5310 -0.0019 -0.0684 0.0156 55 CYS A O 436 C CB . CYS A 55 ? 0.4878 0.6891 0.5397 -0.0106 -0.0775 0.0116 55 CYS A CB 437 S SG . CYS A 55 ? 0.7129 0.9324 0.7632 -0.0129 -0.0835 0.0101 55 CYS A SG 438 N N . THR A 56 ? 0.4737 0.6424 0.5179 0.0046 -0.0689 0.0175 56 THR A N 439 C CA . THR A 56 ? 0.4603 0.6117 0.5026 0.0044 -0.0644 0.0179 56 THR A CA 440 C C . THR A 56 ? 0.4978 0.6406 0.5381 -0.0038 -0.0637 0.0149 56 THR A C 441 O O . THR A 56 ? 0.5357 0.6842 0.5746 -0.0087 -0.0667 0.0127 56 THR A O 442 C CB . THR A 56 ? 0.5417 0.6812 0.5762 0.0117 -0.0624 0.0206 56 THR A CB 443 O OG1 . THR A 56 ? 0.4967 0.6299 0.5234 0.0099 -0.0634 0.0198 56 THR A OG1 444 C CG2 . THR A 56 ? 0.5212 0.6691 0.5550 0.0205 -0.0639 0.0236 56 THR A CG2 445 N N . ILE A 57 ? 0.4643 0.5933 0.5037 -0.0051 -0.0599 0.0147 57 ILE A N 446 C CA . ILE A 57 ? 0.4591 0.5787 0.4959 -0.0116 -0.0588 0.0120 57 ILE A CA 447 C C . ILE A 57 ? 0.4631 0.5786 0.4917 -0.0121 -0.0604 0.0112 57 ILE A C 448 O O . ILE A 57 ? 0.4629 0.5783 0.4894 -0.0180 -0.0621 0.0084 57 ILE A O 449 C CB . ILE A 57 ? 0.5115 0.6175 0.5483 -0.0113 -0.0543 0.0124 57 ILE A CB 450 C CG1 . ILE A 57 ? 0.4540 0.5632 0.4986 -0.0139 -0.0530 0.0120 57 ILE A CG1 451 C CG2 . ILE A 57 ? 0.4093 0.5041 0.4407 -0.0154 -0.0531 0.0103 57 ILE A CG2 452 C CD1 . ILE A 57 ? 0.4788 0.5761 0.5238 -0.0140 -0.0489 0.0121 57 ILE A CD1 453 N N . GLU A 58 ? 0.5477 0.6591 0.5708 -0.0059 -0.0599 0.0136 58 GLU A N 454 C CA . GLU A 58 ? 0.5623 0.6695 0.5771 -0.0057 -0.0611 0.0131 58 GLU A CA 455 C C . GLU A 58 ? 0.5696 0.6895 0.5837 -0.0077 -0.0660 0.0118 58 GLU A C 456 O O . GLU A 58 ? 0.5765 0.6942 0.5858 -0.0121 -0.0675 0.0094 58 GLU A O 457 C CB . GLU A 58 ? 0.6504 0.7509 0.6591 0.0015 -0.0595 0.0163 58 GLU A CB 458 C CG . GLU A 58 ? 0.6218 0.7097 0.6302 0.0029 -0.0546 0.0175 58 GLU A CG 459 C CD . GLU A 58 ? 0.6571 0.7472 0.6700 0.0078 -0.0533 0.0201 58 GLU A CD 460 O OE1 . GLU A 58 ? 0.5704 0.6681 0.5910 0.0060 -0.0539 0.0193 58 GLU A OE1 461 O OE2 . GLU A 58 ? 0.6875 0.7713 0.6954 0.0134 -0.0516 0.0228 58 GLU A OE2 462 N N . GLY A 59 ? 0.4925 0.6261 0.5112 -0.0044 -0.0685 0.0132 59 GLY A N 463 C CA . GLY A 59 ? 0.4748 0.6229 0.4937 -0.0061 -0.0733 0.0121 59 GLY A CA 464 C C . GLY A 59 ? 0.4907 0.6430 0.5128 -0.0156 -0.0749 0.0083 59 GLY A C 465 O O . GLY A 59 ? 0.5139 0.6702 0.5321 -0.0198 -0.0780 0.0061 59 GLY A O 466 N N . TRP A 60 ? 0.4615 0.6124 0.4900 -0.0191 -0.0727 0.0076 60 TRP A N 467 C CA . TRP A 60 ? 0.4225 0.5749 0.4533 -0.0283 -0.0736 0.0042 60 TRP A CA 468 C C . TRP A 60 ? 0.4401 0.5789 0.4631 -0.0328 -0.0729 0.0017 60 TRP A C 469 O O . TRP A 60 ? 0.4783 0.6199 0.4981 -0.0390 -0.0756 -0.0011 60 TRP A O 470 C CB . TRP A 60 ? 0.3788 0.5293 0.4168 -0.0302 -0.0706 0.0044 60 TRP A CB 471 C CG . TRP A 60 ? 0.4227 0.5672 0.4606 -0.0390 -0.0700 0.0013 60 TRP A CG 472 C CD1 . TRP A 60 ? 0.4884 0.6373 0.5243 -0.0468 -0.0729 -0.0017 60 TRP A CD1 473 C CD2 . TRP A 60 ? 0.4412 0.5734 0.4802 -0.0410 -0.0662 0.0009 60 TRP A CD2 474 N NE1 . TRP A 60 ? 0.4069 0.5459 0.4420 -0.0532 -0.0710 -0.0039 60 TRP A NE1 475 C CE2 . TRP A 60 ? 0.4295 0.5586 0.4667 -0.0495 -0.0670 -0.0023 60 TRP A CE2 476 C CE3 . TRP A 60 ? 0.4229 0.5465 0.4639 -0.0364 -0.0623 0.0028 60 TRP A CE3 477 C CZ2 . TRP A 60 ? 0.4187 0.5362 0.4558 -0.0528 -0.0640 -0.0033 60 TRP A CZ2 478 C CZ3 . TRP A 60 ? 0.3505 0.4640 0.3922 -0.0400 -0.0596 0.0016 60 TRP A CZ3 479 C CH2 . TRP A 60 ? 0.3957 0.5061 0.4353 -0.0478 -0.0604 -0.0013 60 TRP A CH2 480 N N . ILE A 61 ? 0.4426 0.5666 0.4620 -0.0298 -0.0691 0.0026 61 ILE A N 481 C CA . ILE A 61 ? 0.4662 0.5767 0.4792 -0.0340 -0.0677 0.0000 61 ILE A CA 482 C C . ILE A 61 ? 0.4287 0.5360 0.4328 -0.0325 -0.0692 -0.0005 61 ILE A C 483 O O . ILE A 61 ? 0.4733 0.5721 0.4712 -0.0366 -0.0691 -0.0032 61 ILE A O 484 C CB . ILE A 61 ? 0.4442 0.5415 0.4578 -0.0319 -0.0629 0.0009 61 ILE A CB 485 C CG1 . ILE A 61 ? 0.4394 0.5261 0.4499 -0.0377 -0.0615 -0.0022 61 ILE A CG1 486 C CG2 . ILE A 61 ? 0.4680 0.5583 0.4768 -0.0253 -0.0607 0.0032 61 ILE A CG2 487 C CD1 . ILE A 61 ? 0.4462 0.5373 0.4615 -0.0442 -0.0625 -0.0040 61 ILE A CD1 488 N N . LEU A 62 ? 0.4213 0.5348 0.4241 -0.0264 -0.0706 0.0021 62 LEU A N 489 C CA . LEU A 62 ? 0.5106 0.6227 0.5047 -0.0247 -0.0725 0.0018 62 LEU A CA 490 C C . LEU A 62 ? 0.5055 0.6304 0.4988 -0.0288 -0.0776 -0.0002 62 LEU A C 491 O O . LEU A 62 ? 0.5645 0.6875 0.5502 -0.0303 -0.0795 -0.0018 62 LEU A O 492 C CB . LEU A 62 ? 0.4445 0.5564 0.4362 -0.0162 -0.0716 0.0057 62 LEU A CB 493 C CG . LEU A 62 ? 0.4655 0.5625 0.4535 -0.0128 -0.0668 0.0073 62 LEU A CG 494 C CD1 . LEU A 62 ? 0.4943 0.5911 0.4796 -0.0048 -0.0661 0.0112 62 LEU A CD1 495 C CD2 . LEU A 62 ? 0.4444 0.5309 0.4245 -0.0158 -0.0658 0.0049 62 LEU A CD2 496 N N . GLY A 63 ? 0.4587 0.5972 0.4598 -0.0308 -0.0797 -0.0002 63 GLY A N 497 C CA . GLY A 63 ? 0.4956 0.6484 0.4972 -0.0355 -0.0846 -0.0022 63 GLY A CA 498 C C . GLY A 63 ? 0.5611 0.7276 0.5628 -0.0289 -0.0878 0.0003 63 GLY A C 499 O O . GLY A 63 ? 0.5532 0.7282 0.5511 -0.0309 -0.0918 -0.0012 63 GLY A O 500 N N . ASN A 64 ? 0.4688 0.6365 0.4741 -0.0209 -0.0860 0.0040 64 ASN A N 501 C CA . ASN A 64 ? 0.4948 0.6765 0.5015 -0.0136 -0.0888 0.0068 64 ASN A CA 502 C C . ASN A 64 ? 0.5678 0.7698 0.5795 -0.0182 -0.0936 0.0049 64 ASN A C 503 O O . ASN A 64 ? 0.5269 0.7356 0.5463 -0.0236 -0.0935 0.0034 64 ASN A O 504 C CB . ASN A 64 ? 0.4643 0.6450 0.4763 -0.0062 -0.0858 0.0104 64 ASN A CB 505 C CG . ASN A 64 ? 0.5498 0.7426 0.5620 0.0028 -0.0882 0.0136 64 ASN A CG 506 O OD1 . ASN A 64 ? 0.6603 0.8707 0.6750 0.0025 -0.0926 0.0130 64 ASN A OD1 507 N ND2 . ASN A 64 ? 0.4898 0.6735 0.4994 0.0110 -0.0852 0.0171 64 ASN A ND2 508 N N . PRO A 65 ? 0.5697 0.7819 0.5770 -0.0163 -0.0979 0.0048 65 PRO A N 509 C CA . PRO A 65 ? 0.5921 0.8242 0.6030 -0.0216 -0.1029 0.0025 65 PRO A CA 510 C C . PRO A 65 ? 0.5477 0.7979 0.5698 -0.0204 -0.1038 0.0036 65 PRO A C 511 O O . PRO A 65 ? 0.5789 0.8444 0.6057 -0.0275 -0.1069 0.0010 65 PRO A O 512 C CB . PRO A 65 ? 0.5881 0.8268 0.5920 -0.0160 -0.1066 0.0037 65 PRO A CB 513 C CG . PRO A 65 ? 0.6002 0.8185 0.5948 -0.0117 -0.1035 0.0052 65 PRO A CG 514 C CD . PRO A 65 ? 0.5280 0.7338 0.5264 -0.0087 -0.0981 0.0072 65 PRO A CD 515 N N . LYS A 66 ? 0.5506 0.7988 0.5762 -0.0118 -0.1011 0.0071 66 LYS A N 516 C CA . LYS A 66 ? 0.5937 0.8580 0.6296 -0.0096 -0.1013 0.0083 66 LYS A CA 517 C C . LYS A 66 ? 0.5517 0.8097 0.5942 -0.0158 -0.0977 0.0070 66 LYS A C 518 O O . LYS A 66 ? 0.5407 0.8088 0.5915 -0.0137 -0.0968 0.0082 66 LYS A O 519 C CB . LYS A 66 ? 0.5989 0.8642 0.6345 0.0034 -0.1003 0.0128 66 LYS A CB 520 C CG . LYS A 66 ? 0.5982 0.8745 0.6288 0.0105 -0.1045 0.0144 66 LYS A CG 521 C CD . LYS A 66 ? 0.6502 0.9325 0.6827 0.0230 -0.1040 0.0186 66 LYS A CD 522 C CE . LYS A 66 ? 0.6847 0.9784 0.7119 0.0310 -0.1083 0.0205 66 LYS A CE 523 N NZ . LYS A 66 ? 0.7883 1.0875 0.8167 0.0437 -0.1078 0.0246 66 LYS A NZ 524 N N . CYS A 67 ? 0.6008 0.8422 0.6390 -0.0231 -0.0955 0.0047 67 CYS A N 525 C CA . CYS A 67 ? 0.5705 0.8042 0.6136 -0.0292 -0.0921 0.0033 67 CYS A CA 526 C C . CYS A 67 ? 0.6112 0.8467 0.6538 -0.0414 -0.0938 -0.0009 67 CYS A C 527 O O . CYS A 67 ? 0.5788 0.8018 0.6212 -0.0474 -0.0910 -0.0025 67 CYS A O 528 C CB . CYS A 67 ? 0.5351 0.7459 0.5734 -0.0265 -0.0873 0.0044 67 CYS A CB 529 S SG . CYS A 67 ? 0.5626 0.7676 0.5995 -0.0133 -0.0847 0.0091 67 CYS A SG 530 N N . ASP A 68 ? 0.6044 0.8549 0.6461 -0.0451 -0.0985 -0.0026 68 ASP A N 531 C CA . ASP A 68 ? 0.5569 0.8091 0.5966 -0.0572 -0.1005 -0.0068 68 ASP A CA 532 C C . ASP A 68 ? 0.5186 0.7753 0.5658 -0.0648 -0.0991 -0.0081 68 ASP A C 533 O O . ASP A 68 ? 0.4954 0.7449 0.5396 -0.0750 -0.0989 -0.0113 68 ASP A O 534 C CB . ASP A 68 ? 0.6138 0.8848 0.6524 -0.0594 -0.1061 -0.0082 68 ASP A CB 535 C CG . ASP A 68 ? 0.7314 0.9949 0.7599 -0.0557 -0.1079 -0.0083 68 ASP A CG 536 O OD1 . ASP A 68 ? 0.7078 0.9505 0.7294 -0.0533 -0.1048 -0.0079 68 ASP A OD1 537 O OD2 . ASP A 68 ? 0.8107 1.0898 0.8380 -0.0553 -0.1125 -0.0088 68 ASP A OD2 538 N N . LEU A 69 ? 0.3803 0.6483 0.4366 -0.0597 -0.0979 -0.0056 69 LEU A N 539 C CA . LEU A 69 ? 0.4204 0.6926 0.4840 -0.0661 -0.0961 -0.0064 69 LEU A CA 540 C C . LEU A 69 ? 0.4380 0.6873 0.4980 -0.0702 -0.0918 -0.0073 69 LEU A C 541 O O . LEU A 69 ? 0.3766 0.6239 0.4378 -0.0796 -0.0910 -0.0095 69 LEU A O 542 C CB . LEU A 69 ? 0.4228 0.7079 0.4957 -0.0580 -0.0949 -0.0032 69 LEU A CB 543 C CG . LEU A 69 ? 0.5459 0.8342 0.6264 -0.0631 -0.0922 -0.0035 69 LEU A CG 544 C CD1 . LEU A 69 ? 0.5006 0.8023 0.5838 -0.0756 -0.0947 -0.0067 69 LEU A CD1 545 C CD2 . LEU A 69 ? 0.4904 0.7912 0.5791 -0.0538 -0.0911 -0.0003 69 LEU A CD2 546 N N . LEU A 70 ? 0.4882 0.7203 0.5434 -0.0631 -0.0891 -0.0056 70 LEU A N 547 C CA . LEU A 70 ? 0.4910 0.7020 0.5431 -0.0650 -0.0849 -0.0060 70 LEU A CA 548 C C . LEU A 70 ? 0.4807 0.6767 0.5230 -0.0712 -0.0852 -0.0090 70 LEU A C 549 O O . LEU A 70 ? 0.4914 0.6720 0.5307 -0.0754 -0.0824 -0.0103 70 LEU A O 550 C CB . LEU A 70 ? 0.4511 0.6517 0.5030 -0.0546 -0.0815 -0.0027 70 LEU A CB 551 C CG . LEU A 70 ? 0.4360 0.6476 0.4963 -0.0476 -0.0804 0.0003 70 LEU A CG 552 C CD1 . LEU A 70 ? 0.4439 0.6443 0.5018 -0.0376 -0.0776 0.0033 70 LEU A CD1 553 C CD2 . LEU A 70 ? 0.4193 0.6321 0.4863 -0.0526 -0.0782 -0.0002 70 LEU A CD2 554 N N . LEU A 71 ? 0.4294 0.6301 0.4663 -0.0713 -0.0887 -0.0102 71 LEU A N 555 C CA . LEU A 71 ? 0.4040 0.5901 0.4304 -0.0753 -0.0891 -0.0128 71 LEU A CA 556 C C . LEU A 71 ? 0.3895 0.5666 0.4123 -0.0862 -0.0886 -0.0164 71 LEU A C 557 O O . LEU A 71 ? 0.4376 0.6262 0.4639 -0.0940 -0.0906 -0.0180 71 LEU A O 558 C CB . LEU A 71 ? 0.4523 0.6491 0.4743 -0.0750 -0.0936 -0.0137 71 LEU A CB 559 C CG . LEU A 71 ? 0.4660 0.6482 0.4765 -0.0767 -0.0941 -0.0160 71 LEU A CG 560 C CD1 . LEU A 71 ? 0.3942 0.5628 0.4009 -0.0672 -0.0909 -0.0134 71 LEU A CD1 561 C CD2 . LEU A 71 ? 0.4000 0.5953 0.4068 -0.0794 -0.0992 -0.0177 71 LEU A CD2 562 N N . GLY A 72 ? 0.4300 0.5864 0.4455 -0.0867 -0.0857 -0.0175 72 GLY A N 563 C CA . GLY A 72 ? 0.4083 0.5526 0.4184 -0.0960 -0.0849 -0.0207 72 GLY A CA 564 C C . GLY A 72 ? 0.4548 0.5848 0.4663 -0.0952 -0.0803 -0.0199 72 GLY A C 565 O O . GLY A 72 ? 0.4255 0.5488 0.4388 -0.0871 -0.0774 -0.0174 72 GLY A O 566 N N . ASP A 73 ? 0.5454 0.6705 0.5554 -0.1039 -0.0799 -0.0220 73 ASP A N 567 C CA . ASP A 73 ? 0.5283 0.6405 0.5391 -0.1040 -0.0759 -0.0214 73 ASP A CA 568 C C . ASP A 73 ? 0.5769 0.7006 0.5992 -0.1007 -0.0745 -0.0183 73 ASP A C 569 O O . ASP A 73 ? 0.5535 0.6954 0.5827 -0.1033 -0.0767 -0.0179 73 ASP A O 570 C CB . ASP A 73 ? 0.5531 0.6555 0.5573 -0.1146 -0.0760 -0.0246 73 ASP A CB 571 C CG . ASP A 73 ? 0.6479 0.7387 0.6399 -0.1185 -0.0776 -0.0280 73 ASP A CG 572 O OD1 . ASP A 73 ? 0.6534 0.7400 0.6416 -0.1120 -0.0776 -0.0277 73 ASP A OD1 573 O OD2 . ASP A 73 ? 0.7347 0.8204 0.7203 -0.1283 -0.0787 -0.0310 73 ASP A OD2 574 N N . GLN A 74 ? 0.4540 0.5679 0.4784 -0.0950 -0.0707 -0.0163 74 GLN A N 575 C CA . GLN A 74 ? 0.4230 0.5450 0.4572 -0.0922 -0.0689 -0.0137 74 GLN A CA 576 C C . GLN A 74 ? 0.4327 0.5398 0.4659 -0.0926 -0.0651 -0.0135 74 GLN A C 577 O O . GLN A 74 ? 0.3805 0.4715 0.4072 -0.0902 -0.0632 -0.0141 74 GLN A O 578 C CB . GLN A 74 ? 0.3893 0.5192 0.4292 -0.0821 -0.0685 -0.0106 74 GLN A CB 579 C CG . GLN A 74 ? 0.4286 0.5755 0.4708 -0.0803 -0.0722 -0.0102 74 GLN A CG 580 C CD . GLN A 74 ? 0.4500 0.6166 0.5006 -0.0837 -0.0741 -0.0098 74 GLN A CD 581 O OE1 . GLN A 74 ? 0.4222 0.5898 0.4771 -0.0877 -0.0725 -0.0097 74 GLN A OE1 582 N NE2 . GLN A 74 ? 0.5031 0.6860 0.5560 -0.0817 -0.0775 -0.0094 74 GLN A NE2 583 N N . SER A 75 ? 0.5204 0.6334 0.5599 -0.0957 -0.0641 -0.0126 75 SER A N 584 C CA . SER A 75 ? 0.4647 0.5665 0.5049 -0.0947 -0.0605 -0.0116 75 SER A CA 585 C C . SER A 75 ? 0.4860 0.5991 0.5365 -0.0893 -0.0591 -0.0087 75 SER A C 586 O O . SER A 75 ? 0.5002 0.6301 0.5572 -0.0907 -0.0608 -0.0080 75 SER A O 587 C CB . SER A 75 ? 0.4774 0.5726 0.5136 -0.1042 -0.0601 -0.0136 75 SER A CB 588 O OG . SER A 75 ? 0.5909 0.6694 0.6160 -0.1076 -0.0602 -0.0161 75 SER A OG 589 N N . TRP A 76 ? 0.4915 0.5958 0.5433 -0.0831 -0.0560 -0.0070 76 TRP A N 590 C CA . TRP A 76 ? 0.3880 0.5013 0.4484 -0.0776 -0.0545 -0.0043 76 TRP A CA 591 C C . TRP A 76 ? 0.4093 0.5116 0.4703 -0.0754 -0.0509 -0.0033 76 TRP A C 592 O O . TRP A 76 ? 0.4085 0.4959 0.4635 -0.0745 -0.0494 -0.0041 76 TRP A O 593 C CB . TRP A 76 ? 0.3767 0.4956 0.4390 -0.0693 -0.0551 -0.0026 76 TRP A CB 594 C CG . TRP A 76 ? 0.3760 0.4809 0.4329 -0.0641 -0.0533 -0.0024 76 TRP A CG 595 C CD1 . TRP A 76 ? 0.3742 0.4718 0.4326 -0.0585 -0.0502 -0.0008 76 TRP A CD1 596 C CD2 . TRP A 76 ? 0.4229 0.5200 0.4720 -0.0643 -0.0545 -0.0040 76 TRP A CD2 597 N NE1 . TRP A 76 ? 0.3239 0.4105 0.3763 -0.0554 -0.0493 -0.0012 76 TRP A NE1 598 C CE2 . TRP A 76 ? 0.4102 0.4961 0.4568 -0.0586 -0.0518 -0.0031 76 TRP A CE2 599 C CE3 . TRP A 76 ? 0.3841 0.4830 0.4280 -0.0690 -0.0575 -0.0062 76 TRP A CE3 600 C CZ2 . TRP A 76 ? 0.3679 0.4447 0.4070 -0.0572 -0.0519 -0.0042 76 TRP A CZ2 601 C CZ3 . TRP A 76 ? 0.3889 0.4778 0.4249 -0.0674 -0.0576 -0.0073 76 TRP A CZ3 602 C CH2 . TRP A 76 ? 0.4009 0.4790 0.4347 -0.0614 -0.0547 -0.0063 76 TRP A CH2 603 N N . SER A 77 ? 0.4796 0.5897 0.5478 -0.0745 -0.0496 -0.0017 77 SER A N 604 C CA . SER A 77 ? 0.4153 0.5175 0.4852 -0.0713 -0.0464 -0.0004 77 SER A CA 605 C C . SER A 77 ? 0.4045 0.5068 0.4771 -0.0624 -0.0451 0.0015 77 SER A C 606 O O . SER A 77 ? 0.4749 0.5674 0.5465 -0.0589 -0.0426 0.0021 77 SER A O 607 C CB . SER A 77 ? 0.4257 0.5363 0.5017 -0.0744 -0.0455 0.0004 77 SER A CB 608 O OG . SER A 77 ? 0.3701 0.4979 0.4530 -0.0722 -0.0469 0.0015 77 SER A OG 609 N N . TYR A 78 ? 0.3696 0.4832 0.4451 -0.0589 -0.0468 0.0024 78 TYR A N 610 C CA . TYR A 78 ? 0.3846 0.4975 0.4607 -0.0508 -0.0460 0.0042 78 TYR A CA 611 C C . TYR A 78 ? 0.4035 0.5282 0.4805 -0.0484 -0.0488 0.0046 78 TYR A C 612 O O . TYR A 78 ? 0.3875 0.5227 0.4659 -0.0529 -0.0514 0.0036 78 TYR A O 613 C CB . TYR A 78 ? 0.3128 0.4273 0.3944 -0.0463 -0.0434 0.0061 78 TYR A CB 614 C CG . TYR A 78 ? 0.3071 0.4360 0.3956 -0.0474 -0.0440 0.0068 78 TYR A CG 615 C CD1 . TYR A 78 ? 0.3027 0.4331 0.3933 -0.0534 -0.0434 0.0061 78 TYR A CD1 616 C CD2 . TYR A 78 ? 0.2687 0.4094 0.3609 -0.0421 -0.0450 0.0083 78 TYR A CD2 617 C CE1 . TYR A 78 ? 0.2907 0.4351 0.3877 -0.0546 -0.0437 0.0067 78 TYR A CE1 618 C CE2 . TYR A 78 ? 0.2528 0.4076 0.3515 -0.0425 -0.0454 0.0089 78 TYR A CE2 619 C CZ . TYR A 78 ? 0.3056 0.4627 0.4069 -0.0490 -0.0447 0.0081 78 TYR A CZ 620 O OH . TYR A 78 ? 0.3224 0.4944 0.4302 -0.0497 -0.0449 0.0086 78 TYR A OH 621 N N . ILE A 79 ? 0.3647 0.4875 0.4403 -0.0414 -0.0483 0.0062 79 ILE A N 622 C CA . ILE A 79 ? 0.2930 0.4251 0.3681 -0.0379 -0.0509 0.0069 79 ILE A CA 623 C C . ILE A 79 ? 0.3566 0.4965 0.4363 -0.0308 -0.0502 0.0094 79 ILE A C 624 O O . ILE A 79 ? 0.4180 0.5507 0.4982 -0.0267 -0.0474 0.0107 79 ILE A O 625 C CB . ILE A 79 ? 0.3537 0.4760 0.4215 -0.0355 -0.0511 0.0067 79 ILE A CB 626 C CG1 . ILE A 79 ? 0.3450 0.4596 0.4074 -0.0422 -0.0520 0.0040 79 ILE A CG1 627 C CG2 . ILE A 79 ? 0.3623 0.4933 0.4286 -0.0313 -0.0538 0.0077 79 ILE A CG2 628 C CD1 . ILE A 79 ? 0.3285 0.4330 0.3837 -0.0401 -0.0517 0.0035 79 ILE A CD1 629 N N . VAL A 80 ? 0.3845 0.5395 0.4673 -0.0293 -0.0529 0.0099 80 VAL A N 630 C CA . VAL A 80 ? 0.3262 0.4893 0.4123 -0.0216 -0.0526 0.0123 80 VAL A CA 631 C C . VAL A 80 ? 0.3898 0.5564 0.4719 -0.0161 -0.0549 0.0134 80 VAL A C 632 O O . VAL A 80 ? 0.4285 0.6053 0.5104 -0.0186 -0.0582 0.0124 80 VAL A O 633 C CB . VAL A 80 ? 0.4120 0.5919 0.5058 -0.0231 -0.0535 0.0123 80 VAL A CB 634 C CG1 . VAL A 80 ? 0.3674 0.5558 0.4638 -0.0140 -0.0534 0.0147 80 VAL A CG1 635 C CG2 . VAL A 80 ? 0.3100 0.4862 0.4073 -0.0284 -0.0511 0.0114 80 VAL A CG2 636 N N . GLU A 81 ? 0.4341 0.5918 0.5124 -0.0090 -0.0531 0.0154 81 GLU A N 637 C CA . GLU A 81 ? 0.4516 0.6111 0.5250 -0.0029 -0.0549 0.0169 81 GLU A CA 638 C C . GLU A 81 ? 0.5117 0.6792 0.5875 0.0054 -0.0548 0.0194 81 GLU A C 639 O O . GLU A 81 ? 0.5364 0.6975 0.6132 0.0088 -0.0517 0.0206 81 GLU A O 640 C CB . GLU A 81 ? 0.5171 0.6596 0.5827 -0.0010 -0.0529 0.0175 81 GLU A CB 641 C CG . GLU A 81 ? 0.6241 0.7668 0.6832 0.0040 -0.0550 0.0189 81 GLU A CG 642 C CD . GLU A 81 ? 0.7020 0.8282 0.7535 0.0066 -0.0524 0.0199 81 GLU A CD 643 O OE1 . GLU A 81 ? 0.6168 0.7395 0.6623 0.0059 -0.0537 0.0196 81 GLU A OE1 644 O OE2 . GLU A 81 ? 0.7756 0.8927 0.8269 0.0090 -0.0490 0.0211 81 GLU A OE2 645 N N . ARG A 82 ? 0.4208 0.6025 0.4975 0.0087 -0.0581 0.0200 82 ARG A N 646 C CA . ARG A 82 ? 0.4588 0.6494 0.5374 0.0174 -0.0582 0.0223 82 ARG A CA 647 C C . ARG A 82 ? 0.4839 0.6624 0.5544 0.0258 -0.0570 0.0248 82 ARG A C 648 O O . ARG A 82 ? 0.5628 0.7349 0.6266 0.0260 -0.0581 0.0250 82 ARG A O 649 C CB . ARG A 82 ? 0.4374 0.6493 0.5201 0.0180 -0.0624 0.0220 82 ARG A CB 650 C CG . ARG A 82 ? 0.3744 0.5983 0.4643 0.0084 -0.0638 0.0193 82 ARG A CG 651 C CD . ARG A 82 ? 0.3735 0.5963 0.4693 0.0061 -0.0606 0.0190 82 ARG A CD 652 N NE . ARG A 82 ? 0.3603 0.5933 0.4621 -0.0035 -0.0616 0.0166 82 ARG A NE 653 C CZ . ARG A 82 ? 0.3798 0.6181 0.4879 -0.0057 -0.0597 0.0163 82 ARG A CZ 654 N NH1 . ARG A 82 ? 0.3230 0.5576 0.4324 0.0011 -0.0569 0.0181 82 ARG A NH1 655 N NH2 . ARG A 82 ? 0.3422 0.5891 0.4548 -0.0150 -0.0606 0.0143 82 ARG A NH2 656 N N . PRO A 83 ? 0.6412 0.8156 0.7114 0.0327 -0.0545 0.0268 83 PRO A N 657 C CA . PRO A 83 ? 0.6604 0.8210 0.7219 0.0404 -0.0527 0.0293 83 PRO A CA 658 C C . PRO A 83 ? 0.6963 0.8618 0.7520 0.0467 -0.0557 0.0310 83 PRO A C 659 O O . PRO A 83 ? 0.7722 0.9242 0.8190 0.0499 -0.0548 0.0326 83 PRO A O 660 C CB . PRO A 83 ? 0.6048 0.7649 0.6683 0.0464 -0.0502 0.0307 83 PRO A CB 661 C CG . PRO A 83 ? 0.5763 0.7422 0.6486 0.0395 -0.0491 0.0285 83 PRO A CG 662 C CD . PRO A 83 ? 0.5660 0.7462 0.6433 0.0327 -0.0526 0.0265 83 PRO A CD 663 N N . ASN A 84 ? 0.8172 1.0020 0.8776 0.0484 -0.0594 0.0308 84 ASN A N 664 C CA . ASN A 84 ? 0.8448 1.0362 0.8999 0.0556 -0.0625 0.0326 84 ASN A CA 665 C C . ASN A 84 ? 0.8754 1.0755 0.9303 0.0499 -0.0664 0.0309 84 ASN A C 666 O O . ASN A 84 ? 0.9098 1.1212 0.9627 0.0548 -0.0700 0.0319 84 ASN A O 667 C CB . ASN A 84 ? 0.9150 1.1231 0.9745 0.0637 -0.0640 0.0340 84 ASN A CB 668 C CG . ASN A 84 ? 1.0229 1.2203 1.0791 0.0720 -0.0604 0.0362 84 ASN A CG 669 O OD1 . ASN A 84 ? 0.9632 1.1415 1.0104 0.0752 -0.0579 0.0379 84 ASN A OD1 670 N ND2 . ASN A 84 ? 1.0393 1.2491 1.1025 0.0752 -0.0600 0.0362 84 ASN A ND2 671 N N . ALA A 85 ? 0.6212 0.8157 0.6776 0.0399 -0.0659 0.0283 85 ALA A N 672 C CA . ALA A 85 ? 0.6006 0.8010 0.6558 0.0338 -0.0693 0.0263 85 ALA A CA 673 C C . ALA A 85 ? 0.6009 0.7938 0.6460 0.0389 -0.0705 0.0281 85 ALA A C 674 O O . ALA A 85 ? 0.6144 0.7894 0.6525 0.0411 -0.0675 0.0295 85 ALA A O 675 C CB . ALA A 85 ? 0.5290 0.7205 0.5857 0.0233 -0.0677 0.0235 85 ALA A CB 676 N N . GLN A 86 ? 0.6110 0.8180 0.6552 0.0406 -0.0749 0.0281 86 GLN A N 677 C CA . GLN A 86 ? 0.5944 0.7961 0.6287 0.0468 -0.0764 0.0301 86 GLN A CA 678 C C . GLN A 86 ? 0.5582 0.7544 0.5874 0.0398 -0.0779 0.0281 86 GLN A C 679 O O . GLN A 86 ? 0.5744 0.7609 0.5943 0.0434 -0.0779 0.0296 86 GLN A O 680 C CB . GLN A 86 ? 0.4965 0.7169 0.5316 0.0546 -0.0806 0.0317 86 GLN A CB 681 C CG . GLN A 86 ? 0.5562 0.7831 0.5954 0.0631 -0.0794 0.0339 86 GLN A CG 682 C CD . GLN A 86 ? 0.6623 0.8715 0.6925 0.0727 -0.0761 0.0375 86 GLN A CD 683 O OE1 . GLN A 86 ? 0.7904 1.0013 0.8140 0.0822 -0.0778 0.0402 86 GLN A OE1 684 N NE2 . GLN A 86 ? 0.6647 0.8566 0.6940 0.0703 -0.0715 0.0375 86 GLN A NE2 685 N N . ASN A 87 ? 0.5692 0.7706 0.6038 0.0298 -0.0788 0.0246 87 ASN A N 686 C CA . ASN A 87 ? 0.5316 0.7299 0.5614 0.0231 -0.0807 0.0222 87 ASN A CA 687 C C . ASN A 87 ? 0.5775 0.7561 0.6034 0.0178 -0.0770 0.0209 87 ASN A C 688 O O . ASN A 87 ? 0.5307 0.7076 0.5607 0.0096 -0.0761 0.0181 87 ASN A O 689 C CB . ASN A 87 ? 0.5657 0.7809 0.6021 0.0150 -0.0843 0.0189 87 ASN A CB 690 C CG . ASN A 87 ? 0.5982 0.8353 0.6382 0.0198 -0.0886 0.0199 87 ASN A CG 691 O OD1 . ASN A 87 ? 0.6496 0.8893 0.6842 0.0279 -0.0904 0.0223 87 ASN A OD1 692 N ND2 . ASN A 87 ? 0.6433 0.8968 0.6926 0.0149 -0.0901 0.0181 87 ASN A ND2 693 N N . GLY A 88 ? 0.5040 0.6678 0.5214 0.0225 -0.0747 0.0230 88 GLY A N 694 C CA . GLY A 88 ? 0.4232 0.5694 0.4364 0.0183 -0.0711 0.0220 88 GLY A CA 695 C C . GLY A 88 ? 0.4315 0.5712 0.4354 0.0175 -0.0722 0.0215 88 GLY A C 696 O O . GLY A 88 ? 0.4520 0.5992 0.4551 0.0130 -0.0756 0.0192 88 GLY A O 697 N N . ILE A 89 ? 0.5278 0.6530 0.5243 0.0213 -0.0691 0.0236 89 ILE A N 698 C CA . ILE A 89 ? 0.5977 0.7163 0.5845 0.0214 -0.0698 0.0236 89 ILE A CA 699 C C . ILE A 89 ? 0.5835 0.7098 0.5652 0.0289 -0.0730 0.0263 89 ILE A C 700 O O . ILE A 89 ? 0.6440 0.7651 0.6219 0.0363 -0.0715 0.0298 89 ILE A O 701 C CB . ILE A 89 ? 0.5575 0.6581 0.5383 0.0218 -0.0649 0.0246 89 ILE A CB 702 C CG1 . ILE A 89 ? 0.5029 0.5973 0.4886 0.0147 -0.0621 0.0217 89 ILE A CG1 703 C CG2 . ILE A 89 ? 0.6404 0.7349 0.6108 0.0224 -0.0655 0.0249 89 ILE A CG2 704 C CD1 . ILE A 89 ? 0.5388 0.6175 0.5201 0.0147 -0.0572 0.0225 89 ILE A CD1 705 N N . CYS A 90 ? 0.6170 0.7556 0.5983 0.0268 -0.0777 0.0246 90 CYS A N 706 C CA . CYS A 90 ? 0.7361 0.8854 0.7138 0.0339 -0.0815 0.0269 90 CYS A CA 707 C C . CYS A 90 ? 0.6949 0.8336 0.6602 0.0383 -0.0811 0.0290 90 CYS A C 708 O O . CYS A 90 ? 0.6906 0.8273 0.6506 0.0468 -0.0810 0.0328 90 CYS A O 709 C CB . CYS A 90 ? 0.6644 0.8328 0.6469 0.0296 -0.0869 0.0241 90 CYS A CB 710 S SG . CYS A 90 ? 0.9190 1.0851 0.8979 0.0192 -0.0885 0.0195 90 CYS A SG 711 N N . TYR A 91 ? 0.5828 0.7142 0.5430 0.0326 -0.0807 0.0267 91 TYR A N 712 C CA . TYR A 91 ? 0.6599 0.7792 0.6082 0.0358 -0.0793 0.0286 91 TYR A CA 713 C C . TYR A 91 ? 0.6600 0.7614 0.6056 0.0366 -0.0733 0.0304 91 TYR A C 714 O O . TYR A 91 ? 0.6031 0.6978 0.5523 0.0305 -0.0704 0.0280 91 TYR A O 715 C CB . TYR A 91 ? 0.6001 0.7187 0.5434 0.0296 -0.0810 0.0253 91 TYR A CB 716 C CG . TYR A 91 ? 0.7162 0.8272 0.6470 0.0335 -0.0811 0.0273 91 TYR A CG 717 C CD1 . TYR A 91 ? 0.6807 0.7749 0.6046 0.0330 -0.0764 0.0281 91 TYR A CD1 718 C CD2 . TYR A 91 ? 0.7803 0.9017 0.7061 0.0378 -0.0859 0.0284 91 TYR A CD2 719 C CE1 . TYR A 91 ? 0.6774 0.7646 0.5893 0.0363 -0.0762 0.0300 91 TYR A CE1 720 C CE2 . TYR A 91 ? 0.6672 0.7814 0.5808 0.0415 -0.0859 0.0304 91 TYR A CE2 721 C CZ . TYR A 91 ? 0.7732 0.8700 0.6797 0.0407 -0.0810 0.0312 91 TYR A CZ 722 O OH . TYR A 91 ? 0.7568 0.8464 0.6509 0.0441 -0.0809 0.0332 91 TYR A OH 723 N N . PRO A 92 ? 0.6617 0.7554 0.6005 0.0442 -0.0716 0.0345 92 PRO A N 724 C CA . PRO A 92 ? 0.6355 0.7135 0.5720 0.0454 -0.0660 0.0366 92 PRO A CA 725 C C . PRO A 92 ? 0.6855 0.7515 0.6192 0.0390 -0.0622 0.0346 92 PRO A C 726 O O . PRO A 92 ? 0.6032 0.6683 0.5312 0.0365 -0.0633 0.0332 92 PRO A O 727 C CB . PRO A 92 ? 0.6474 0.7188 0.5731 0.0541 -0.0658 0.0411 92 PRO A CB 728 C CG . PRO A 92 ? 0.7009 0.7811 0.6210 0.0558 -0.0705 0.0410 92 PRO A CG 729 C CD . PRO A 92 ? 0.6660 0.7640 0.5966 0.0517 -0.0748 0.0375 92 PRO A CD 730 N N . GLY A 93 ? 0.5906 0.6480 0.5283 0.0367 -0.0578 0.0345 93 GLY A N 731 C CA . GLY A 93 ? 0.5767 0.6240 0.5130 0.0310 -0.0539 0.0326 93 GLY A CA 732 C C . GLY A 93 ? 0.5653 0.6104 0.5108 0.0271 -0.0509 0.0310 93 GLY A C 733 O O . GLY A 93 ? 0.6134 0.6655 0.5668 0.0280 -0.0521 0.0310 93 GLY A O 734 N N . VAL A 94 ? 0.5948 0.6309 0.5392 0.0228 -0.0471 0.0297 94 VAL A N 735 C CA . VAL A 94 ? 0.6472 0.6802 0.5992 0.0192 -0.0439 0.0283 94 VAL A CA 736 C C . VAL A 94 ? 0.5788 0.6160 0.5365 0.0131 -0.0447 0.0241 94 VAL A C 737 O O . VAL A 94 ? 0.5640 0.5993 0.5169 0.0106 -0.0449 0.0222 94 VAL A O 738 C CB . VAL A 94 ? 0.6580 0.6781 0.6049 0.0188 -0.0385 0.0298 94 VAL A CB 739 C CG1 . VAL A 94 ? 0.5457 0.5635 0.4998 0.0139 -0.0354 0.0274 94 VAL A CG1 740 C CG2 . VAL A 94 ? 0.5816 0.5957 0.5242 0.0242 -0.0370 0.0337 94 VAL A CG2 741 N N . LEU A 95 ? 0.6286 0.6710 0.5958 0.0108 -0.0452 0.0226 95 LEU A N 742 C CA . LEU A 95 ? 0.5921 0.6356 0.5642 0.0050 -0.0450 0.0189 95 LEU A CA 743 C C . LEU A 95 ? 0.5758 0.6100 0.5487 0.0033 -0.0401 0.0186 95 LEU A C 744 O O . LEU A 95 ? 0.5206 0.5528 0.4978 0.0043 -0.0379 0.0200 95 LEU A O 745 C CB . LEU A 95 ? 0.6091 0.6621 0.5904 0.0031 -0.0476 0.0176 95 LEU A CB 746 C CG . LEU A 95 ? 0.6463 0.7037 0.6301 -0.0026 -0.0500 0.0138 95 LEU A CG 747 C CD1 . LEU A 95 ? 0.5712 0.6384 0.5638 -0.0044 -0.0522 0.0130 95 LEU A CD1 748 C CD2 . LEU A 95 ? 0.6019 0.6506 0.5850 -0.0064 -0.0469 0.0114 95 LEU A CD2 749 N N . ASN A 96 ? 0.5889 0.6178 0.5574 0.0007 -0.0385 0.0168 96 ASN A N 750 C CA . ASN A 96 ? 0.5747 0.5961 0.5433 -0.0005 -0.0338 0.0167 96 ASN A CA 751 C C . ASN A 96 ? 0.5407 0.5631 0.5174 -0.0038 -0.0328 0.0144 96 ASN A C 752 O O . ASN A 96 ? 0.4686 0.4950 0.4483 -0.0064 -0.0352 0.0119 96 ASN A O 753 C CB . ASN A 96 ? 0.5845 0.6008 0.5454 -0.0015 -0.0322 0.0155 96 ASN A CB 754 C CG . ASN A 96 ? 0.7828 0.7944 0.7354 0.0016 -0.0307 0.0186 96 ASN A CG 755 O OD1 . ASN A 96 ? 0.8141 0.8277 0.7610 0.0038 -0.0335 0.0195 96 ASN A OD1 756 N ND2 . ASN A 96 ? 0.7888 0.7941 0.7401 0.0016 -0.0263 0.0201 96 ASN A ND2 757 N N . GLU A 97 ? 0.4945 0.5130 0.4741 -0.0036 -0.0292 0.0155 97 GLU A N 758 C CA . GLU A 97 ? 0.4300 0.4494 0.4173 -0.0060 -0.0281 0.0139 97 GLU A CA 759 C C . GLU A 97 ? 0.4523 0.4787 0.4459 -0.0063 -0.0314 0.0137 97 GLU A C 760 O O . GLU A 97 ? 0.4278 0.4568 0.4256 -0.0092 -0.0326 0.0113 97 GLU A O 761 C CB . GLU A 97 ? 0.4311 0.4484 0.4179 -0.0089 -0.0271 0.0108 97 GLU A CB 762 C CG . GLU A 97 ? 0.3758 0.3878 0.3568 -0.0086 -0.0236 0.0108 97 GLU A CG 763 C CD . GLU A 97 ? 0.5899 0.5989 0.5732 -0.0086 -0.0195 0.0122 97 GLU A CD 764 O OE1 . GLU A 97 ? 0.6354 0.6408 0.6138 -0.0085 -0.0166 0.0128 97 GLU A OE1 765 O OE2 . GLU A 97 ? 0.5424 0.5529 0.5324 -0.0090 -0.0192 0.0126 97 GLU A OE2 766 N N . LEU A 98 ? 0.3850 0.4145 0.3786 -0.0031 -0.0329 0.0161 98 LEU A N 767 C CA . LEU A 98 ? 0.3701 0.4077 0.3697 -0.0027 -0.0359 0.0162 98 LEU A CA 768 C C . LEU A 98 ? 0.4098 0.4482 0.4174 -0.0046 -0.0344 0.0155 98 LEU A C 769 O O . LEU A 98 ? 0.4033 0.4476 0.4160 -0.0071 -0.0365 0.0139 98 LEU A O 770 C CB . LEU A 98 ? 0.3939 0.4340 0.3914 0.0023 -0.0371 0.0193 98 LEU A CB 771 C CG . LEU A 98 ? 0.4604 0.5099 0.4645 0.0035 -0.0397 0.0198 98 LEU A CG 772 C CD1 . LEU A 98 ? 0.4008 0.4595 0.4075 0.0003 -0.0436 0.0174 98 LEU A CD1 773 C CD2 . LEU A 98 ? 0.3574 0.4080 0.3584 0.0096 -0.0403 0.0230 98 LEU A CD2 774 N N . GLU A 99 ? 0.4273 0.4599 0.4355 -0.0038 -0.0308 0.0166 99 GLU A N 775 C CA . GLU A 99 ? 0.4156 0.4490 0.4310 -0.0052 -0.0294 0.0161 99 GLU A CA 776 C C . GLU A 99 ? 0.3793 0.4123 0.3975 -0.0093 -0.0291 0.0132 99 GLU A C 777 O O . GLU A 99 ? 0.3457 0.3822 0.3698 -0.0112 -0.0298 0.0123 99 GLU A O 778 C CB . GLU A 99 ? 0.3842 0.4112 0.3988 -0.0038 -0.0256 0.0178 99 GLU A CB 779 C CG . GLU A 99 ? 0.3920 0.4179 0.4038 0.0006 -0.0256 0.0208 99 GLU A CG 780 C CD . GLU A 99 ? 0.5218 0.5438 0.5249 0.0029 -0.0257 0.0223 99 GLU A CD 781 O OE1 . GLU A 99 ? 0.5093 0.5276 0.5084 0.0008 -0.0245 0.0213 99 GLU A OE1 782 O OE2 . GLU A 99 ? 0.6152 0.6377 0.6150 0.0071 -0.0270 0.0246 99 GLU A OE2 783 N N . GLU A 100 ? 0.3564 0.3850 0.3698 -0.0105 -0.0280 0.0119 100 GLU A N 784 C CA . GLU A 100 ? 0.3565 0.3837 0.3710 -0.0137 -0.0278 0.0091 100 GLU A CA 785 C C . GLU A 100 ? 0.4115 0.4431 0.4266 -0.0160 -0.0315 0.0074 100 GLU A C 786 O O . GLU A 100 ? 0.4420 0.4734 0.4600 -0.0187 -0.0319 0.0055 100 GLU A O 787 C CB . GLU A 100 ? 0.3604 0.3823 0.3692 -0.0137 -0.0257 0.0081 100 GLU A CB 788 C CG . GLU A 100 ? 0.4247 0.4429 0.4343 -0.0131 -0.0217 0.0089 100 GLU A CG 789 C CD . GLU A 100 ? 0.4250 0.4431 0.4400 -0.0147 -0.0204 0.0073 100 GLU A CD 790 O OE1 . GLU A 100 ? 0.4411 0.4587 0.4558 -0.0162 -0.0215 0.0050 100 GLU A OE1 791 O OE2 . GLU A 100 ? 0.4214 0.4395 0.4403 -0.0145 -0.0183 0.0083 100 GLU A OE2 792 N N . LEU A 101 ? 0.3765 0.4118 0.3884 -0.0151 -0.0343 0.0080 101 LEU A N 793 C CA . LEU A 101 ? 0.3964 0.4370 0.4087 -0.0178 -0.0380 0.0063 101 LEU A CA 794 C C . LEU A 101 ? 0.3711 0.4182 0.3909 -0.0191 -0.0392 0.0067 101 LEU A C 795 O O . LEU A 101 ? 0.3620 0.4108 0.3838 -0.0230 -0.0407 0.0047 101 LEU A O 796 C CB . LEU A 101 ? 0.4637 0.5086 0.4713 -0.0161 -0.0408 0.0072 101 LEU A CB 797 C CG . LEU A 101 ? 0.4118 0.4641 0.4204 -0.0193 -0.0450 0.0055 101 LEU A CG 798 C CD1 . LEU A 101 ? 0.4263 0.4733 0.4306 -0.0236 -0.0453 0.0022 101 LEU A CD1 799 C CD2 . LEU A 101 ? 0.4949 0.5540 0.5004 -0.0169 -0.0480 0.0068 101 LEU A CD2 800 N N . LYS A 102 ? 0.3514 0.4017 0.3748 -0.0158 -0.0385 0.0091 102 LYS A N 801 C CA . LYS A 102 ? 0.3127 0.3696 0.3433 -0.0165 -0.0393 0.0096 102 LYS A CA 802 C C . LYS A 102 ? 0.3350 0.3881 0.3694 -0.0194 -0.0373 0.0083 102 LYS A C 803 O O . LYS A 102 ? 0.3730 0.4306 0.4117 -0.0225 -0.0386 0.0073 102 LYS A O 804 C CB . LYS A 102 ? 0.3508 0.4101 0.3833 -0.0116 -0.0385 0.0125 102 LYS A CB 805 C CG . LYS A 102 ? 0.4198 0.4855 0.4496 -0.0083 -0.0412 0.0140 102 LYS A CG 806 C CD . LYS A 102 ? 0.4375 0.5050 0.4689 -0.0030 -0.0404 0.0168 102 LYS A CD 807 C CE . LYS A 102 ? 0.4791 0.5534 0.5075 0.0010 -0.0433 0.0184 102 LYS A CE 808 N NZ . LYS A 102 ? 0.5800 0.6540 0.6082 0.0071 -0.0422 0.0213 102 LYS A NZ 809 N N . ALA A 103 ? 0.3221 0.3675 0.3550 -0.0185 -0.0341 0.0083 103 ALA A N 810 C CA . ALA A 103 ? 0.3355 0.3771 0.3714 -0.0206 -0.0322 0.0071 103 ALA A CA 811 C C . ALA A 103 ? 0.3672 0.4066 0.4007 -0.0245 -0.0335 0.0044 103 ALA A C 812 O O . ALA A 103 ? 0.3615 0.4009 0.3982 -0.0272 -0.0337 0.0034 103 ALA A O 813 C CB . ALA A 103 ? 0.3357 0.3708 0.3700 -0.0188 -0.0286 0.0075 103 ALA A CB 814 N N . PHE A 104 ? 0.3656 0.4024 0.3930 -0.0247 -0.0345 0.0033 104 PHE A N 815 C CA . PHE A 104 ? 0.3835 0.4167 0.4071 -0.0283 -0.0358 0.0006 104 PHE A CA 816 C C . PHE A 104 ? 0.3859 0.4251 0.4121 -0.0322 -0.0389 -0.0001 104 PHE A C 817 O O . PHE A 104 ? 0.4006 0.4373 0.4276 -0.0356 -0.0389 -0.0016 104 PHE A O 818 C CB . PHE A 104 ? 0.3284 0.3583 0.3444 -0.0278 -0.0365 -0.0005 104 PHE A CB 819 C CG . PHE A 104 ? 0.4066 0.4317 0.4176 -0.0314 -0.0378 -0.0035 104 PHE A CG 820 C CD1 . PHE A 104 ? 0.4251 0.4424 0.4343 -0.0318 -0.0357 -0.0050 104 PHE A CD1 821 C CD2 . PHE A 104 ? 0.3727 0.4008 0.3802 -0.0343 -0.0412 -0.0047 104 PHE A CD2 822 C CE1 . PHE A 104 ? 0.4354 0.4465 0.4387 -0.0348 -0.0368 -0.0078 104 PHE A CE1 823 C CE2 . PHE A 104 ? 0.4103 0.4325 0.4121 -0.0381 -0.0423 -0.0077 104 PHE A CE2 824 C CZ . PHE A 104 ? 0.3985 0.4114 0.3978 -0.0382 -0.0400 -0.0092 104 PHE A CZ 825 N N . ILE A 105 ? 0.2983 0.3458 0.3256 -0.0317 -0.0413 0.0010 105 ILE A N 826 C CA . ILE A 105 ? 0.3266 0.3820 0.3565 -0.0355 -0.0444 0.0003 105 ILE A CA 827 C C . ILE A 105 ? 0.3544 0.4132 0.3915 -0.0367 -0.0435 0.0010 105 ILE A C 828 O O . ILE A 105 ? 0.4175 0.4782 0.4559 -0.0416 -0.0447 -0.0003 105 ILE A O 829 C CB . ILE A 105 ? 0.3733 0.4387 0.4037 -0.0334 -0.0471 0.0017 105 ILE A CB 830 C CG1 . ILE A 105 ? 0.3003 0.3630 0.3229 -0.0336 -0.0487 0.0004 105 ILE A CG1 831 C CG2 . ILE A 105 ? 0.3427 0.4194 0.3781 -0.0367 -0.0499 0.0015 105 ILE A CG2 832 C CD1 . ILE A 105 ? 0.3517 0.4232 0.3736 -0.0307 -0.0513 0.0020 105 ILE A CD1 833 N N . GLY A 106 ? 0.4275 0.4863 0.4686 -0.0327 -0.0411 0.0031 106 GLY A N 834 C CA . GLY A 106 ? 0.4311 0.4923 0.4785 -0.0334 -0.0399 0.0038 106 GLY A CA 835 C C . GLY A 106 ? 0.4047 0.4586 0.4513 -0.0370 -0.0386 0.0021 106 GLY A C 836 O O . GLY A 106 ? 0.4354 0.4920 0.4861 -0.0396 -0.0386 0.0021 106 GLY A O 837 N N . SER A 107 ? 0.3518 0.3964 0.3929 -0.0368 -0.0374 0.0008 107 SER A N 838 C CA . SER A 107 ? 0.3697 0.4062 0.4088 -0.0391 -0.0361 -0.0008 107 SER A CA 839 C C . SER A 107 ? 0.4253 0.4597 0.4602 -0.0446 -0.0383 -0.0030 107 SER A C 840 O O . SER A 107 ? 0.5002 0.5262 0.5314 -0.0466 -0.0375 -0.0045 107 SER A O 841 C CB . SER A 107 ? 0.3605 0.3884 0.3952 -0.0361 -0.0337 -0.0014 107 SER A CB 842 O OG . SER A 107 ? 0.3852 0.4089 0.4127 -0.0366 -0.0348 -0.0031 107 SER A OG 843 N N . GLY A 108 ? 0.4710 0.5130 0.5061 -0.0470 -0.0412 -0.0032 108 GLY A N 844 C CA . GLY A 108 ? 0.4552 0.4955 0.4856 -0.0529 -0.0435 -0.0055 108 GLY A CA 845 C C . GLY A 108 ? 0.4337 0.4816 0.4684 -0.0581 -0.0450 -0.0055 108 GLY A C 846 O O . GLY A 108 ? 0.4103 0.4662 0.4524 -0.0567 -0.0445 -0.0036 108 GLY A O 847 N N . GLU A 109 ? 0.4409 0.4864 0.4707 -0.0643 -0.0470 -0.0077 109 GLU A N 848 C CA . GLU A 109 ? 0.4943 0.5447 0.5266 -0.0708 -0.0481 -0.0081 109 GLU A CA 849 C C . GLU A 109 ? 0.5310 0.5879 0.5605 -0.0768 -0.0515 -0.0099 109 GLU A C 850 O O . GLU A 109 ? 0.5051 0.5725 0.5389 -0.0816 -0.0531 -0.0099 109 GLU A O 851 C CB . GLU A 109 ? 0.5357 0.5728 0.5633 -0.0737 -0.0462 -0.0092 109 GLU A CB 852 C CG . GLU A 109 ? 0.6550 0.6946 0.6842 -0.0805 -0.0466 -0.0095 109 GLU A CG 853 C CD . GLU A 109 ? 0.6790 0.7036 0.7022 -0.0824 -0.0446 -0.0103 109 GLU A CD 854 O OE1 . GLU A 109 ? 0.7517 0.7635 0.7660 -0.0821 -0.0444 -0.0121 109 GLU A OE1 855 O OE2 . GLU A 109 ? 0.8333 0.8587 0.8601 -0.0840 -0.0433 -0.0092 109 GLU A OE2 856 N N . ARG A 110 ? 0.4253 0.4767 0.4476 -0.0765 -0.0527 -0.0116 110 ARG A N 857 C CA . ARG A 110 ? 0.4805 0.5360 0.4984 -0.0826 -0.0560 -0.0138 110 ARG A CA 858 C C . ARG A 110 ? 0.5078 0.5588 0.5189 -0.0798 -0.0571 -0.0150 110 ARG A C 859 O O . ARG A 110 ? 0.4502 0.4889 0.4560 -0.0759 -0.0550 -0.0154 110 ARG A O 860 C CB . ARG A 110 ? 0.5417 0.5880 0.5536 -0.0909 -0.0561 -0.0162 110 ARG A CB 861 C CG . ARG A 110 ? 0.5880 0.6275 0.5898 -0.0965 -0.0583 -0.0194 110 ARG A CG 862 C CD . ARG A 110 ? 0.5994 0.6359 0.5973 -0.1065 -0.0593 -0.0214 110 ARG A CD 863 N NE . ARG A 110 ? 0.7709 0.8260 0.7757 -0.1116 -0.0620 -0.0211 110 ARG A NE 864 C CZ . ARG A 110 ? 0.7289 0.7915 0.7308 -0.1168 -0.0654 -0.0231 110 ARG A CZ 865 N NH1 . ARG A 110 ? 0.7588 0.8401 0.7679 -0.1209 -0.0678 -0.0227 110 ARG A NH1 866 N NH2 . ARG A 110 ? 0.6852 0.7372 0.6770 -0.1176 -0.0664 -0.0256 110 ARG A NH2 867 N N . VAL A 111 ? 0.4573 0.5194 0.4687 -0.0813 -0.0603 -0.0154 111 VAL A N 868 C CA . VAL A 111 ? 0.4731 0.5312 0.4769 -0.0799 -0.0617 -0.0169 111 VAL A CA 869 C C . VAL A 111 ? 0.5010 0.5614 0.4992 -0.0884 -0.0651 -0.0200 111 VAL A C 870 O O . VAL A 111 ? 0.5259 0.5978 0.5287 -0.0939 -0.0671 -0.0202 111 VAL A O 871 C CB . VAL A 111 ? 0.4742 0.5425 0.4819 -0.0729 -0.0625 -0.0146 111 VAL A CB 872 C CG1 . VAL A 111 ? 0.4284 0.4931 0.4405 -0.0652 -0.0590 -0.0118 111 VAL A CG1 873 C CG2 . VAL A 111 ? 0.4238 0.5105 0.4384 -0.0743 -0.0656 -0.0135 111 VAL A CG2 874 N N . GLU A 112 ? 0.5667 0.6159 0.5546 -0.0896 -0.0656 -0.0225 112 GLU A N 875 C CA . GLU A 112 ? 0.5507 0.6012 0.5318 -0.0971 -0.0690 -0.0257 112 GLU A CA 876 C C . GLU A 112 ? 0.5368 0.5902 0.5134 -0.0935 -0.0709 -0.0262 112 GLU A C 877 O O . GLU A 112 ? 0.5508 0.5918 0.5201 -0.0897 -0.0693 -0.0270 112 GLU A O 878 C CB . GLU A 112 ? 0.5946 0.6273 0.5651 -0.1029 -0.0680 -0.0289 112 GLU A CB 879 C CG . GLU A 112 ? 0.6889 0.7201 0.6609 -0.1103 -0.0676 -0.0294 112 GLU A CG 880 C CD . GLU A 112 ? 0.9288 0.9406 0.8882 -0.1160 -0.0668 -0.0327 112 GLU A CD 881 O OE1 . GLU A 112 ? 0.8851 0.8888 0.8346 -0.1166 -0.0679 -0.0353 112 GLU A OE1 882 O OE2 . GLU A 112 ? 0.9263 0.9305 0.8851 -0.1196 -0.0650 -0.0327 112 GLU A OE2 883 N N . ARG A 113 ? 0.4865 0.5566 0.4673 -0.0946 -0.0744 -0.0256 113 ARG A N 884 C CA . ARG A 113 ? 0.4842 0.5578 0.4600 -0.0918 -0.0768 -0.0262 113 ARG A CA 885 C C . ARG A 113 ? 0.5199 0.5847 0.4841 -0.0987 -0.0787 -0.0304 113 ARG A C 886 O O . ARG A 113 ? 0.5115 0.5774 0.4737 -0.1077 -0.0805 -0.0328 113 ARG A O 887 C CB . ARG A 113 ? 0.4434 0.5381 0.4268 -0.0906 -0.0801 -0.0243 113 ARG A CB 888 C CG . ARG A 113 ? 0.4394 0.5385 0.4188 -0.0854 -0.0821 -0.0238 113 ARG A CG 889 C CD . ARG A 113 ? 0.4514 0.5695 0.4398 -0.0805 -0.0841 -0.0206 113 ARG A CD 890 N NE . ARG A 113 ? 0.5239 0.6483 0.5082 -0.0764 -0.0868 -0.0201 113 ARG A NE 891 C CZ . ARG A 113 ? 0.5698 0.7046 0.5510 -0.0812 -0.0913 -0.0222 113 ARG A CZ 892 N NH1 . ARG A 113 ? 0.5503 0.6902 0.5321 -0.0908 -0.0934 -0.0251 113 ARG A NH1 893 N NH2 . ARG A 113 ? 0.5431 0.6831 0.5203 -0.0766 -0.0936 -0.0215 113 ARG A NH2 894 N N . PHE A 114 ? 0.5272 0.5826 0.4831 -0.0947 -0.0782 -0.0313 114 PHE A N 895 C CA . PHE A 114 ? 0.5731 0.6192 0.5168 -0.1001 -0.0799 -0.0353 114 PHE A CA 896 C C . PHE A 114 ? 0.6466 0.6939 0.5855 -0.0943 -0.0809 -0.0351 114 PHE A C 897 O O . PHE A 114 ? 0.5927 0.6421 0.5358 -0.0859 -0.0789 -0.0319 114 PHE A O 898 C CB . PHE A 114 ? 0.5981 0.6232 0.5336 -0.1018 -0.0767 -0.0376 114 PHE A CB 899 C CG . PHE A 114 ? 0.6439 0.6577 0.5765 -0.0930 -0.0729 -0.0364 114 PHE A CG 900 C CD1 . PHE A 114 ? 0.5879 0.6031 0.5291 -0.0863 -0.0697 -0.0329 114 PHE A CD1 901 C CD2 . PHE A 114 ? 0.6257 0.6279 0.5467 -0.0917 -0.0726 -0.0390 114 PHE A CD2 902 C CE1 . PHE A 114 ? 0.5906 0.5967 0.5294 -0.0788 -0.0663 -0.0319 114 PHE A CE1 903 C CE2 . PHE A 114 ? 0.6429 0.6361 0.5615 -0.0838 -0.0690 -0.0379 114 PHE A CE2 904 C CZ . PHE A 114 ? 0.6259 0.6215 0.5537 -0.0775 -0.0659 -0.0344 114 PHE A CZ 905 N N . GLU A 115 ? 0.8140 0.8596 0.7434 -0.0991 -0.0838 -0.0384 115 GLU A N 906 C CA . GLU A 115 ? 0.7620 0.8078 0.6852 -0.0942 -0.0848 -0.0385 115 GLU A CA 907 C C . GLU A 115 ? 0.7612 0.7880 0.6756 -0.0898 -0.0809 -0.0395 115 GLU A C 908 O O . GLU A 115 ? 0.7330 0.7454 0.6386 -0.0943 -0.0801 -0.0430 115 GLU A O 909 C CB . GLU A 115 ? 0.7866 0.8384 0.7027 -0.1012 -0.0896 -0.0418 115 GLU A CB 910 C CG . GLU A 115 ? 0.8074 0.8659 0.7199 -0.0960 -0.0917 -0.0410 115 GLU A CG 911 C CD . GLU A 115 ? 0.8266 0.8951 0.7341 -0.1030 -0.0970 -0.0440 115 GLU A CD 912 O OE1 . GLU A 115 ? 0.8086 0.8874 0.7153 -0.0991 -0.0997 -0.0428 115 GLU A OE1 913 O OE2 . GLU A 115 ? 0.8868 0.9524 0.7907 -0.1126 -0.0986 -0.0475 115 GLU A OE2 914 N N . MET A 116 ? 0.7754 0.8024 0.6921 -0.0810 -0.0785 -0.0365 116 MET A N 915 C CA . MET A 116 ? 0.7390 0.7504 0.6494 -0.0759 -0.0743 -0.0370 116 MET A CA 916 C C . MET A 116 ? 0.7455 0.7526 0.6452 -0.0740 -0.0751 -0.0387 116 MET A C 917 O O . MET A 116 ? 0.8344 0.8270 0.7241 -0.0741 -0.0732 -0.0416 116 MET A O 918 C CB . MET A 116 ? 0.7064 0.7200 0.6256 -0.0681 -0.0707 -0.0327 116 MET A CB 919 C CG . MET A 116 ? 0.7004 0.6997 0.6154 -0.0634 -0.0660 -0.0330 116 MET A CG 920 S SD . MET A 116 ? 0.6519 0.6553 0.5767 -0.0550 -0.0620 -0.0282 116 MET A SD 921 C CE . MET A 116 ? 0.6177 0.6047 0.5372 -0.0518 -0.0570 -0.0298 116 MET A CE 922 N N . PHE A 117 ? 0.6521 0.6714 0.5534 -0.0715 -0.0777 -0.0369 117 PHE A N 923 C CA . PHE A 117 ? 0.6626 0.6802 0.5535 -0.0707 -0.0794 -0.0386 117 PHE A CA 924 C C . PHE A 117 ? 0.7092 0.7414 0.6004 -0.0751 -0.0850 -0.0392 117 PHE A C 925 O O . PHE A 117 ? 0.6340 0.6803 0.5326 -0.0715 -0.0866 -0.0358 117 PHE A O 926 C CB . PHE A 117 ? 0.6990 0.7165 0.5897 -0.0619 -0.0767 -0.0354 117 PHE A CB 927 C CG . PHE A 117 ? 0.7293 0.7341 0.6191 -0.0573 -0.0712 -0.0349 117 PHE A CG 928 C CD1 . PHE A 117 ? 0.6989 0.6904 0.5778 -0.0567 -0.0692 -0.0380 117 PHE A CD1 929 C CD2 . PHE A 117 ? 0.6565 0.6633 0.5563 -0.0532 -0.0681 -0.0314 117 PHE A CD2 930 C CE1 . PHE A 117 ? 0.7757 0.7571 0.6541 -0.0521 -0.0641 -0.0375 117 PHE A CE1 931 C CE2 . PHE A 117 ? 0.6555 0.6521 0.5548 -0.0491 -0.0632 -0.0310 117 PHE A CE2 932 C CZ . PHE A 117 ? 0.6706 0.6551 0.5595 -0.0484 -0.0612 -0.0341 117 PHE A CZ 933 N N . PRO A 118 ? 0.7199 0.7489 0.6030 -0.0830 -0.0879 -0.0437 118 PRO A N 934 C CA . PRO A 118 ? 0.6999 0.7431 0.5818 -0.0875 -0.0935 -0.0448 118 PRO A CA 935 C C . PRO A 118 ? 0.7512 0.7994 0.6289 -0.0809 -0.0945 -0.0430 118 PRO A C 936 O O . PRO A 118 ? 0.7309 0.7676 0.6024 -0.0757 -0.0911 -0.0428 118 PRO A O 937 C CB . PRO A 118 ? 0.7390 0.7721 0.6096 -0.0966 -0.0953 -0.0504 118 PRO A CB 938 C CG . PRO A 118 ? 0.7066 0.7224 0.5753 -0.0975 -0.0909 -0.0518 118 PRO A CG 939 C CD . PRO A 118 ? 0.7127 0.7240 0.5861 -0.0877 -0.0862 -0.0480 118 PRO A CD 940 N N . LYS A 119 ? 0.7413 0.8067 0.6223 -0.0810 -0.0990 -0.0417 119 LYS A N 941 C CA . LYS A 119 ? 0.7579 0.8285 0.6351 -0.0742 -0.1001 -0.0394 119 LYS A CA 942 C C . LYS A 119 ? 0.7756 0.8346 0.6384 -0.0751 -0.1001 -0.0428 119 LYS A C 943 O O . LYS A 119 ? 0.7994 0.8553 0.6572 -0.0685 -0.0986 -0.0409 119 LYS A O 944 C CB . LYS A 119 ? 0.7290 0.8204 0.6110 -0.0747 -0.1055 -0.0379 119 LYS A CB 945 C CG . LYS A 119 ? 0.6945 0.7992 0.5904 -0.0740 -0.1060 -0.0349 119 LYS A CG 946 C CD . LYS A 119 ? 0.6780 0.7989 0.5787 -0.0669 -0.1085 -0.0307 119 LYS A CD 947 C CE . LYS A 119 ? 0.6582 0.7969 0.5709 -0.0687 -0.1111 -0.0292 119 LYS A CE 948 N NZ . LYS A 119 ? 0.7575 0.9100 0.6751 -0.0598 -0.1126 -0.0245 119 LYS A NZ 949 N N . SER A 120 ? 0.8577 0.9094 0.7131 -0.0835 -0.1015 -0.0479 120 SER A N 950 C CA . SER A 120 ? 0.9176 0.9569 0.7584 -0.0851 -0.1015 -0.0518 120 SER A CA 951 C C . SER A 120 ? 0.9301 0.9511 0.7657 -0.0798 -0.0956 -0.0519 120 SER A C 952 O O . SER A 120 ? 1.0515 1.0601 0.8748 -0.0805 -0.0947 -0.0553 120 SER A O 953 C CB . SER A 120 ? 0.9050 0.9402 0.7389 -0.0960 -0.1045 -0.0574 120 SER A CB 954 O OG . SER A 120 ? 1.0036 1.0301 0.8414 -0.1001 -0.1020 -0.0585 120 SER A OG 955 N N . THR A 121 ? 0.8741 0.8939 0.7191 -0.0744 -0.0915 -0.0481 121 THR A N 956 C CA . THR A 121 ? 0.9311 0.9362 0.7729 -0.0690 -0.0858 -0.0478 121 THR A CA 957 C C . THR A 121 ? 0.8546 0.8592 0.6907 -0.0620 -0.0844 -0.0459 121 THR A C 958 O O . THR A 121 ? 0.8243 0.8164 0.6525 -0.0590 -0.0807 -0.0473 121 THR A O 959 C CB . THR A 121 ? 0.8410 0.8464 0.6950 -0.0654 -0.0821 -0.0442 121 THR A CB 960 O OG1 . THR A 121 ? 0.9087 0.9001 0.7604 -0.0679 -0.0791 -0.0468 121 THR A OG1 961 N N . TRP A 122 ? 0.7713 0.7896 0.6111 -0.0592 -0.0872 -0.0426 122 TRP A N 962 C CA . TRP A 122 ? 0.8431 0.8618 0.6791 -0.0518 -0.0853 -0.0395 122 TRP A CA 963 C C . TRP A 122 ? 0.9087 0.9299 0.7333 -0.0529 -0.0890 -0.0416 122 TRP A C 964 O O . TRP A 122 ? 0.8524 0.8869 0.6786 -0.0540 -0.0938 -0.0406 122 TRP A O 965 C CB . TRP A 122 ? 0.8157 0.8460 0.6626 -0.0466 -0.0853 -0.0339 122 TRP A CB 966 C CG . TRP A 122 ? 0.8373 0.8689 0.6964 -0.0472 -0.0833 -0.0323 122 TRP A CG 967 C CD1 . TRP A 122 ? 0.8242 0.8675 0.6929 -0.0502 -0.0865 -0.0313 122 TRP A CD1 968 C CD2 . TRP A 122 ? 0.7548 0.7763 0.6177 -0.0449 -0.0779 -0.0315 122 TRP A CD2 969 N NE1 . TRP A 122 ? 0.7392 0.7795 0.6171 -0.0499 -0.0832 -0.0300 122 TRP A NE1 970 C CE2 . TRP A 122 ? 0.7604 0.7874 0.6349 -0.0466 -0.0781 -0.0301 122 TRP A CE2 971 C CE3 . TRP A 122 ? 0.7503 0.7595 0.6081 -0.0414 -0.0729 -0.0319 122 TRP A CE3 972 C CZ2 . TRP A 122 ? 0.7476 0.7678 0.6284 -0.0450 -0.0736 -0.0291 122 TRP A CZ2 973 C CZ3 . TRP A 122 ? 0.7638 0.7671 0.6282 -0.0397 -0.0685 -0.0310 122 TRP A CZ3 974 C CH2 . TRP A 122 ? 0.7143 0.7229 0.5899 -0.0416 -0.0690 -0.0295 122 TRP A CH2 975 N N . ALA A 123 ? 1.1948 1.2036 1.0079 -0.0521 -0.0866 -0.0444 123 ALA A N 976 C CA . ALA A 123 ? 1.2252 1.2335 1.0256 -0.0539 -0.0897 -0.0473 123 ALA A CA 977 C C . ALA A 123 ? 1.2674 1.2830 1.0649 -0.0477 -0.0904 -0.0435 123 ALA A C 978 O O . ALA A 123 ? 1.2472 1.2577 1.0438 -0.0413 -0.0858 -0.0405 123 ALA A O 979 C CB . ALA A 123 ? 1.1707 1.1622 0.9594 -0.0547 -0.0865 -0.0517 123 ALA A CB 980 N N . GLY A 124 ? 0.9918 1.0192 0.7870 -0.0497 -0.0961 -0.0436 124 GLY A N 981 C CA . GLY A 124 ? 0.9921 1.0254 0.7819 -0.0442 -0.0974 -0.0406 124 GLY A CA 982 C C . GLY A 124 ? 1.0605 1.1052 0.8598 -0.0383 -0.0978 -0.0344 124 GLY A C 983 O O . GLY A 124 ? 1.0712 1.1167 0.8662 -0.0321 -0.0968 -0.0308 124 GLY A O 984 N N . VAL A 125 ? 0.9069 0.9599 0.7185 -0.0402 -0.0992 -0.0332 125 VAL A N 985 C CA . VAL A 125 ? 0.8837 0.9472 0.7046 -0.0346 -0.0995 -0.0276 125 VAL A CA 986 C C . VAL A 125 ? 0.9392 1.0188 0.7685 -0.0384 -0.1051 -0.0279 125 VAL A C 987 O O . VAL A 125 ? 0.9332 1.0142 0.7630 -0.0462 -0.1076 -0.0323 125 VAL A O 988 C CB . VAL A 125 ? 0.8834 0.9397 0.7129 -0.0311 -0.0937 -0.0246 125 VAL A CB 989 C CG1 . VAL A 125 ? 0.8130 0.8579 0.6357 -0.0255 -0.0884 -0.0225 125 VAL A CG1 990 C CG2 . VAL A 125 ? 0.8461 0.8955 0.6803 -0.0371 -0.0919 -0.0283 125 VAL A CG2 991 N N . ASP A 126 ? 1.0137 1.1053 0.8490 -0.0329 -0.1069 -0.0232 126 ASP A N 992 C CA . ASP A 126 ? 1.0611 1.1698 0.9052 -0.0355 -0.1119 -0.0232 126 ASP A CA 993 C C . ASP A 126 ? 1.0744 1.1845 0.9319 -0.0358 -0.1094 -0.0215 126 ASP A C 994 O O . ASP A 126 ? 0.9911 1.0959 0.8527 -0.0297 -0.1052 -0.0175 126 ASP A O 995 C CB . ASP A 126 ? 1.0654 1.1879 0.9084 -0.0290 -0.1158 -0.0192 126 ASP A CB 996 C CG . ASP A 126 ? 1.1205 1.2631 0.9713 -0.0320 -0.1218 -0.0199 126 ASP A CG 997 O OD1 . ASP A 126 ? 1.1525 1.2982 1.0062 -0.0408 -0.1237 -0.0243 126 ASP A OD1 998 O OD2 . ASP A 126 ? 1.1827 1.3379 1.0361 -0.0255 -0.1244 -0.0159 126 ASP A OD2 999 N N . THR A 127 ? 0.9820 1.0992 0.8457 -0.0433 -0.1120 -0.0247 127 THR A N 1000 C CA . THR A 127 ? 0.8542 0.9731 0.7302 -0.0444 -0.1099 -0.0235 127 THR A CA 1001 C C . THR A 127 ? 0.8890 1.0282 0.7745 -0.0452 -0.1145 -0.0223 127 THR A C 1002 O O . THR A 127 ? 0.8911 1.0343 0.7869 -0.0474 -0.1136 -0.0219 127 THR A O 1003 C CB . THR A 127 ? 0.8114 0.9193 0.6873 -0.0528 -0.1079 -0.0282 127 THR A CB 1004 O OG1 . THR A 127 ? 0.7519 0.8683 0.6262 -0.0616 -0.1128 -0.0325 127 THR A OG1 1005 C CG2 . THR A 127 ? 0.8144 0.9033 0.6798 -0.0523 -0.1038 -0.0301 127 THR A CG2 1006 N N . SER A 128 ? 0.7875 0.9402 0.6695 -0.0431 -0.1194 -0.0216 128 SER A N 1007 C CA . SER A 128 ? 0.7602 0.9344 0.6506 -0.0447 -0.1245 -0.0213 128 SER A CA 1008 C C . SER A 128 ? 0.7292 0.9152 0.6237 -0.0343 -0.1257 -0.0158 128 SER A C 1009 O O . SER A 128 ? 0.7486 0.9534 0.6509 -0.0339 -0.1295 -0.0149 128 SER A O 1010 C CB . SER A 128 ? 0.8640 1.0479 0.7480 -0.0519 -0.1303 -0.0257 128 SER A CB 1011 O OG . SER A 128 ? 0.9105 1.0888 0.7821 -0.0483 -0.1312 -0.0257 128 SER A OG 1012 N N . ARG A 129 ? 0.9728 1.1478 0.8618 -0.0259 -0.1224 -0.0120 129 ARG A N 1013 C CA . ARG A 129 ? 1.0601 1.2437 0.9498 -0.0157 -0.1236 -0.0068 129 ARG A CA 1014 C C . ARG A 129 ? 1.0565 1.2308 0.9516 -0.0089 -0.1182 -0.0023 129 ARG A C 1015 O O . ARG A 129 ? 1.0613 1.2388 0.9560 0.0002 -0.1182 0.0024 129 ARG A O 1016 C CB . ARG A 129 ? 1.1212 1.3010 0.9977 -0.0111 -0.1251 -0.0057 129 ARG A CB 1017 C CG . ARG A 129 ? 1.2290 1.4222 1.1044 -0.0019 -0.1287 -0.0013 129 ARG A CG 1018 C CD . ARG A 129 ? 1.2953 1.4899 1.1579 -0.0002 -0.1322 -0.0017 129 ARG A CD 1019 N NE . ARG A 129 ? 1.4288 1.6361 1.2905 -0.0086 -0.1377 -0.0068 129 ARG A NE 1020 C CZ . ARG A 129 ? 1.4257 1.6242 1.2794 -0.0162 -0.1377 -0.0115 129 ARG A CZ 1021 N NH1 . ARG A 129 ? 1.3743 1.5522 1.2206 -0.0159 -0.1325 -0.0117 129 ARG A NH1 1022 N NH2 . ARG A 129 ? 1.3169 1.5273 1.1696 -0.0241 -0.1430 -0.0161 129 ARG A NH2 1023 N N . GLY A 130 ? 1.1677 1.3304 1.0673 -0.0133 -0.1137 -0.0039 130 GLY A N 1024 C CA . GLY A 130 ? 1.0567 1.2103 0.9615 -0.0081 -0.1085 -0.0002 130 GLY A CA 1025 C C . GLY A 130 ? 1.0463 1.2125 0.9629 -0.0056 -0.1094 0.0020 130 GLY A C 1026 O O . GLY A 130 ? 1.0008 1.1649 0.9258 -0.0095 -0.1070 0.0009 130 GLY A O 1027 N N . VAL A 131 ? 0.7263 0.9058 0.6434 0.0013 -0.1128 0.0051 131 VAL A N 1028 C CA . VAL A 131 ? 0.6989 0.8909 0.6267 0.0052 -0.1136 0.0075 131 VAL A CA 1029 C C . VAL A 131 ? 0.6840 0.8730 0.6089 0.0167 -0.1120 0.0132 131 VAL A C 1030 O O . VAL A 131 ? 0.7412 0.9197 0.6557 0.0214 -0.1108 0.0152 131 VAL A O 1031 C CB . VAL A 131 ? 0.7796 0.9949 0.7126 0.0024 -0.1199 0.0057 131 VAL A CB 1032 C CG1 . VAL A 131 ? 0.6587 0.8763 0.5938 -0.0099 -0.1214 0.0000 131 VAL A CG1 1033 C CG2 . VAL A 131 ? 0.7717 0.9962 0.6964 0.0081 -0.1245 0.0072 131 VAL A CG2 1034 N N . THR A 132 ? 0.7057 0.9035 0.6394 0.0213 -0.1119 0.0156 132 THR A N 1035 C CA . THR A 132 ? 0.7194 0.9122 0.6504 0.0322 -0.1099 0.0209 132 THR A CA 1036 C C . THR A 132 ? 0.7455 0.9544 0.6861 0.0372 -0.1118 0.0228 132 THR A C 1037 O O . THR A 132 ? 0.7537 0.9714 0.7048 0.0317 -0.1120 0.0204 132 THR A O 1038 C CB . THR A 132 ? 0.7427 0.9143 0.6722 0.0328 -0.1031 0.0224 132 THR A CB 1039 O OG1 . THR A 132 ? 0.7255 0.8934 0.6541 0.0425 -0.1011 0.0273 132 THR A OG1 1040 C CG2 . THR A 132 ? 0.7396 0.9093 0.6792 0.0249 -0.1006 0.0194 132 THR A CG2 1041 N N . ASN A 133 ? 0.9231 1.1356 0.8594 0.0479 -0.1130 0.0271 133 ASN A N 1042 C CA . ASN A 133 ? 0.9311 1.1590 0.8754 0.0543 -0.1148 0.0292 133 ASN A CA 1043 C C . ASN A 133 ? 0.8856 1.1024 0.8349 0.0571 -0.1095 0.0312 133 ASN A C 1044 O O . ASN A 133 ? 0.9116 1.1388 0.8676 0.0626 -0.1101 0.0330 133 ASN A O 1045 C CB . ASN A 133 ? 0.9459 1.1814 0.8827 0.0657 -0.1183 0.0331 133 ASN A CB 1046 C CG . ASN A 133 ? 1.0384 1.2538 0.9611 0.0712 -0.1156 0.0363 133 ASN A CG 1047 O OD1 . ASN A 133 ? 1.0257 1.2211 0.9453 0.0687 -0.1103 0.0367 133 ASN A OD1 1048 N ND2 . ASN A 133 ? 1.0765 1.2977 0.9904 0.0786 -0.1193 0.0388 133 ASN A ND2 1049 N N . ALA A 134 ? 0.7932 0.9894 0.7391 0.0534 -0.1044 0.0309 134 ALA A N 1050 C CA . ALA A 134 ? 0.7747 0.9601 0.7258 0.0540 -0.0992 0.0321 134 ALA A CA 1051 C C . ALA A 134 ? 0.7444 0.9369 0.7074 0.0447 -0.0990 0.0282 134 ALA A C 1052 O O . ALA A 134 ? 0.7255 0.9163 0.6957 0.0452 -0.0961 0.0288 134 ALA A O 1053 C CB . ALA A 134 ? 0.7292 0.8911 0.6721 0.0535 -0.0939 0.0333 134 ALA A CB 1054 N N . CYS A 135 ? 0.7456 0.9458 0.7100 0.0362 -0.1020 0.0241 135 CYS A N 1055 C CA . CYS A 135 ? 0.6987 0.9058 0.6731 0.0268 -0.1021 0.0203 135 CYS A CA 1056 C C . CYS A 135 ? 0.6842 0.9149 0.6644 0.0235 -0.1078 0.0181 135 CYS A C 1057 O O . CYS A 135 ? 0.6893 0.9240 0.6687 0.0149 -0.1103 0.0142 135 CYS A O 1058 C CB . CYS A 135 ? 0.7088 0.9017 0.6797 0.0177 -0.0998 0.0169 135 CYS A CB 1059 S SG . CYS A 135 ? 0.8720 1.0394 0.8381 0.0198 -0.0928 0.0188 135 CYS A SG 1060 N N . PRO A 136 ? 0.5977 0.8443 0.5835 0.0304 -0.1099 0.0204 136 PRO A N 1061 C CA . PRO A 136 ? 0.6605 0.9314 0.6533 0.0264 -0.1151 0.0180 136 PRO A CA 1062 C C . PRO A 136 ? 0.6888 0.9638 0.6913 0.0156 -0.1141 0.0143 136 PRO A C 1063 O O . PRO A 136 ? 0.6880 0.9516 0.6943 0.0149 -0.1095 0.0149 136 PRO A O 1064 C CB . PRO A 136 ? 0.6920 0.9772 0.6887 0.0375 -0.1166 0.0217 136 PRO A CB 1065 C CG . PRO A 136 ? 0.5573 0.8250 0.5531 0.0439 -0.1110 0.0249 136 PRO A CG 1066 C CD . PRO A 136 ? 0.6104 0.8542 0.5963 0.0416 -0.1077 0.0249 136 PRO A CD 1067 N N . SER A 137 ? 0.6853 0.9755 0.6909 0.0071 -0.1182 0.0107 137 SER A N 1068 C CA . SER A 137 ? 0.5973 0.8954 0.6126 -0.0022 -0.1177 0.0077 137 SER A CA 1069 C C . SER A 137 ? 0.6618 0.9845 0.6867 0.0023 -0.1204 0.0091 137 SER A C 1070 O O . SER A 137 ? 0.6498 0.9777 0.6736 0.0138 -0.1210 0.0128 137 SER A O 1071 C CB . SER A 137 ? 0.6600 0.9600 0.6731 -0.0149 -0.1203 0.0028 137 SER A CB 1072 O OG . SER A 137 ? 0.7385 1.0622 0.7539 -0.0171 -0.1260 0.0013 137 SER A OG 1073 N N . TYR A 138 ? 0.7766 1.1142 0.8102 -0.0065 -0.1218 0.0062 138 TYR A N 1074 C CA . TYR A 138 ? 0.7808 1.1440 0.8239 -0.0026 -0.1243 0.0073 138 TYR A CA 1075 C C . TYR A 138 ? 0.8965 1.2822 0.9387 -0.0038 -0.1307 0.0059 138 TYR A C 1076 O O . TYR A 138 ? 0.8020 1.2115 0.8509 0.0009 -0.1337 0.0069 138 TYR A O 1077 C CB . TYR A 138 ? 0.7514 1.1212 0.8048 -0.0111 -0.1225 0.0052 138 TYR A CB 1078 C CG . TYR A 138 ? 0.8538 1.2116 0.9111 -0.0053 -0.1171 0.0079 138 TYR A CG 1079 C CD1 . TYR A 138 ? 0.8333 1.1884 0.8890 0.0084 -0.1158 0.0122 138 TYR A CD1 1080 C CD2 . TYR A 138 ? 0.7801 1.1283 0.8418 -0.0135 -0.1134 0.0062 138 TYR A CD2 1081 C CE1 . TYR A 138 ? 0.8680 1.2117 0.9267 0.0134 -0.1109 0.0145 138 TYR A CE1 1082 C CE2 . TYR A 138 ? 0.7788 1.1163 0.8438 -0.0084 -0.1087 0.0085 138 TYR A CE2 1083 C CZ . TYR A 138 ? 0.8673 1.2027 0.9309 0.0049 -0.1075 0.0126 138 TYR A CZ 1084 O OH . TYR A 138 ? 0.9248 1.2492 0.9910 0.0097 -0.1028 0.0147 138 TYR A OH 1085 N N . THR A 139 ? 0.9725 1.3508 1.0061 -0.0098 -0.1328 0.0034 139 THR A N 1086 C CA . THR A 139 ? 0.9712 1.3689 1.0024 -0.0115 -0.1390 0.0018 139 THR A CA 1087 C C . THR A 139 ? 1.0251 1.4129 1.0446 -0.0033 -0.1404 0.0039 139 THR A C 1088 O O . THR A 139 ? 1.0365 1.4384 1.0550 0.0067 -0.1436 0.0066 139 THR A O 1089 C CB . THR A 139 ? 0.9556 1.3566 0.9866 -0.0274 -0.1411 -0.0037 139 THR A CB 1090 O OG1 . THR A 139 ? 1.0502 1.4246 1.0717 -0.0325 -0.1383 -0.0054 139 THR A OG1 1091 C CG2 . THR A 139 ? 0.8742 1.2844 0.9162 -0.0360 -0.1395 -0.0056 139 THR A CG2 1092 N N . LEU A 140 ? 1.0734 1.4372 1.0836 -0.0071 -0.1379 0.0027 140 LEU A N 1093 C CA . LEU A 140 ? 1.0932 1.4450 1.0915 0.0002 -0.1384 0.0048 140 LEU A CA 1094 C C . LEU A 140 ? 1.0778 1.4166 1.0738 0.0132 -0.1344 0.0100 140 LEU A C 1095 O O . LEU A 140 ? 1.0706 1.3993 1.0717 0.0139 -0.1298 0.0111 140 LEU A O 1096 C CB . LEU A 140 ? 1.0284 1.3589 1.0176 -0.0082 -0.1366 0.0017 140 LEU A CB 1097 C CG . LEU A 140 ? 1.1109 1.4470 1.1007 -0.0227 -0.1392 -0.0039 140 LEU A CG 1098 C CD1 . LEU A 140 ? 1.0312 1.3446 1.0098 -0.0282 -0.1373 -0.0064 140 LEU A CD1 1099 C CD2 . LEU A 140 ? 1.1482 1.5108 1.1395 -0.0247 -0.1459 -0.0055 140 LEU A CD2 1100 N N . ASP A 141 ? 1.0730 1.4115 1.0609 0.0234 -0.1362 0.0132 141 ASP A N 1101 C CA . ASP A 141 ? 1.1069 1.4315 1.0909 0.0356 -0.1325 0.0182 141 ASP A CA 1102 C C . ASP A 141 ? 1.0247 1.3218 0.9978 0.0352 -0.1284 0.0188 141 ASP A C 1103 O O . ASP A 141 ? 1.0156 1.2971 0.9848 0.0430 -0.1243 0.0225 141 ASP A O 1104 C CB . ASP A 141 ? 1.0817 1.4204 1.0623 0.0481 -0.1363 0.0219 141 ASP A CB 1105 C CG . ASP A 141 ? 1.2582 1.6251 1.2500 0.0500 -0.1400 0.0217 141 ASP A CG 1106 O OD1 . ASP A 141 ? 1.2248 1.5966 1.2272 0.0443 -0.1380 0.0200 141 ASP A OD1 1107 O OD2 . ASP A 141 ? 1.3152 1.7000 1.3053 0.0573 -0.1447 0.0232 141 ASP A OD2 1108 N N . SER A 142 ? 0.7780 1.0695 0.7461 0.0259 -0.1295 0.0151 142 SER A N 1109 C CA . SER A 142 ? 0.7903 1.0569 0.7493 0.0239 -0.1253 0.0149 142 SER A CA 1110 C C . SER A 142 ? 0.8080 1.0679 0.7689 0.0108 -0.1241 0.0099 142 SER A C 1111 O O . SER A 142 ? 0.8069 1.0733 0.7648 0.0035 -0.1278 0.0062 142 SER A O 1112 C CB . SER A 142 ? 0.8220 1.0847 0.7682 0.0286 -0.1277 0.0162 142 SER A CB 1113 O OG . SER A 142 ? 0.8465 1.1091 0.7888 0.0414 -0.1275 0.0215 142 SER A OG 1114 N N . SER A 143 ? 0.8626 1.1089 0.8279 0.0081 -0.1190 0.0097 143 SER A N 1115 C CA . SER A 143 ? 0.8163 1.0537 0.7832 -0.0032 -0.1171 0.0054 143 SER A CA 1116 C C . SER A 143 ? 0.7518 0.9649 0.7140 -0.0023 -0.1111 0.0063 143 SER A C 1117 O O . SER A 143 ? 0.8011 1.0041 0.7564 0.0054 -0.1092 0.0096 143 SER A O 1118 C CB . SER A 143 ? 0.6874 0.9362 0.6664 -0.0090 -0.1172 0.0037 143 SER A CB 1119 O OG . SER A 143 ? 0.7353 0.9808 0.7143 -0.0209 -0.1175 -0.0011 143 SER A OG 1120 N N . PHE A 144 ? 0.7014 0.9055 0.6671 -0.0101 -0.1082 0.0035 144 PHE A N 1121 C CA . PHE A 144 ? 0.6562 0.8390 0.6188 -0.0097 -0.1025 0.0041 144 PHE A CA 1122 C C . PHE A 144 ? 0.6663 0.8442 0.6359 -0.0173 -0.0999 0.0014 144 PHE A C 1123 O O . PHE A 144 ? 0.5995 0.7887 0.5747 -0.0241 -0.1025 -0.0013 144 PHE A O 1124 C CB . PHE A 144 ? 0.6225 0.7927 0.5735 -0.0111 -0.1020 0.0026 144 PHE A CB 1125 C CG . PHE A 144 ? 0.5974 0.7481 0.5436 -0.0075 -0.0964 0.0045 144 PHE A CG 1126 C CD1 . PHE A 144 ? 0.5833 0.7300 0.5276 0.0016 -0.0943 0.0091 144 PHE A CD1 1127 C CD2 . PHE A 144 ? 0.5251 0.6615 0.4680 -0.0132 -0.0933 0.0016 144 PHE A CD2 1128 C CE1 . PHE A 144 ? 0.4743 0.6039 0.4141 0.0041 -0.0892 0.0108 144 PHE A CE1 1129 C CE2 . PHE A 144 ? 0.5626 0.6830 0.5015 -0.0100 -0.0883 0.0032 144 PHE A CE2 1130 C CZ . PHE A 144 ? 0.5391 0.6563 0.4766 -0.0018 -0.0862 0.0078 144 PHE A CZ 1131 N N . TYR A 145 ? 0.6554 0.8166 0.6243 -0.0162 -0.0947 0.0023 145 TYR A N 1132 C CA . TYR A 145 ? 0.6057 0.7603 0.5804 -0.0222 -0.0917 0.0003 145 TYR A CA 1133 C C . TYR A 145 ? 0.6108 0.7645 0.5831 -0.0322 -0.0935 -0.0046 145 TYR A C 1134 O O . TYR A 145 ? 0.6481 0.7948 0.6114 -0.0343 -0.0943 -0.0066 145 TYR A O 1135 C CB . TYR A 145 ? 0.5631 0.6995 0.5352 -0.0193 -0.0861 0.0017 145 TYR A CB 1136 C CG . TYR A 145 ? 0.5466 0.6814 0.5198 -0.0102 -0.0839 0.0063 145 TYR A CG 1137 C CD1 . TYR A 145 ? 0.5662 0.7056 0.5482 -0.0077 -0.0825 0.0082 145 TYR A CD1 1138 C CD2 . TYR A 145 ? 0.5538 0.6819 0.5185 -0.0043 -0.0831 0.0087 145 TYR A CD2 1139 C CE1 . TYR A 145 ? 0.5322 0.6688 0.5141 0.0005 -0.0804 0.0123 145 TYR A CE1 1140 C CE2 . TYR A 145 ? 0.5577 0.6828 0.5221 0.0037 -0.0809 0.0129 145 TYR A CE2 1141 C CZ . TYR A 145 ? 0.5445 0.6734 0.5173 0.0060 -0.0796 0.0146 145 TYR A CZ 1142 O OH . TYR A 145 ? 0.5946 0.7192 0.5661 0.0139 -0.0773 0.0187 145 TYR A OH 1143 N N . ARG A 146 ? 0.6278 0.7878 0.6076 -0.0384 -0.0940 -0.0064 146 ARG A N 1144 C CA . ARG A 146 ? 0.5775 0.7368 0.5550 -0.0486 -0.0958 -0.0109 146 ARG A CA 1145 C C . ARG A 146 ? 0.6106 0.7497 0.5817 -0.0519 -0.0922 -0.0132 146 ARG A C 1146 O O . ARG A 146 ? 0.6613 0.7959 0.6271 -0.0594 -0.0934 -0.0171 146 ARG A O 1147 C CB . ARG A 146 ? 0.5941 0.7647 0.5813 -0.0542 -0.0967 -0.0119 146 ARG A CB 1148 C CG . ARG A 146 ? 0.6738 0.8661 0.6686 -0.0508 -0.1001 -0.0097 146 ARG A CG 1149 C CD . ARG A 146 ? 0.7207 0.9283 0.7136 -0.0567 -0.1056 -0.0124 146 ARG A CD 1150 N NE . ARG A 146 ? 0.7740 1.0041 0.7748 -0.0531 -0.1089 -0.0105 146 ARG A NE 1151 C CZ . ARG A 146 ? 0.7758 1.0183 0.7743 -0.0476 -0.1126 -0.0091 146 ARG A CZ 1152 N NH1 . ARG A 146 ? 0.7134 0.9476 0.7018 -0.0454 -0.1136 -0.0094 146 ARG A NH1 1153 N NH2 . ARG A 146 ? 0.6867 0.9503 0.6930 -0.0440 -0.1154 -0.0073 146 ARG A NH2 1154 N N . ASN A 147 ? 0.5583 0.6854 0.5296 -0.0462 -0.0876 -0.0108 147 ASN A N 1155 C CA . ASN A 147 ? 0.5999 0.7090 0.5661 -0.0484 -0.0838 -0.0127 147 ASN A CA 1156 C C . ASN A 147 ? 0.6057 0.7043 0.5626 -0.0438 -0.0822 -0.0122 147 ASN A C 1157 O O . ASN A 147 ? 0.5982 0.6826 0.5497 -0.0449 -0.0791 -0.0139 147 ASN A O 1158 C CB . ASN A 147 ? 0.6070 0.7100 0.5803 -0.0464 -0.0795 -0.0109 147 ASN A CB 1159 C CG . ASN A 147 ? 0.5743 0.6857 0.5561 -0.0516 -0.0805 -0.0117 147 ASN A CG 1160 O OD1 . ASN A 147 ? 0.5367 0.6535 0.5175 -0.0589 -0.0835 -0.0146 147 ASN A OD1 1161 N ND2 . ASN A 147 ? 0.4954 0.6080 0.4851 -0.0483 -0.0779 -0.0091 147 ASN A ND2 1162 N N . LEU A 148 ? 0.6853 0.7911 0.6399 -0.0383 -0.0841 -0.0098 148 LEU A N 1163 C CA . LEU A 148 ? 0.7053 0.8022 0.6506 -0.0341 -0.0828 -0.0091 148 LEU A CA 1164 C C . LEU A 148 ? 0.7815 0.8868 0.7202 -0.0348 -0.0875 -0.0102 148 LEU A C 1165 O O . LEU A 148 ? 0.7811 0.9010 0.7237 -0.0368 -0.0918 -0.0105 148 LEU A O 1166 C CB . LEU A 148 ? 0.7173 0.8119 0.6644 -0.0258 -0.0797 -0.0045 148 LEU A CB 1167 C CG . LEU A 148 ? 0.6805 0.7676 0.6342 -0.0247 -0.0750 -0.0032 148 LEU A CG 1168 C CD1 . LEU A 148 ? 0.6337 0.7185 0.5880 -0.0171 -0.0723 0.0013 148 LEU A CD1 1169 C CD2 . LEU A 148 ? 0.6665 0.7395 0.6158 -0.0281 -0.0717 -0.0060 148 LEU A CD2 1170 N N . VAL A 149 ? 0.6557 0.7522 0.5842 -0.0332 -0.0868 -0.0108 149 VAL A N 1171 C CA . VAL A 149 ? 0.6871 0.7909 0.6084 -0.0327 -0.0911 -0.0114 149 VAL A CA 1172 C C . VAL A 149 ? 0.6302 0.7276 0.5437 -0.0254 -0.0892 -0.0084 149 VAL A C 1173 O O . VAL A 149 ? 0.5934 0.6772 0.5012 -0.0247 -0.0853 -0.0090 149 VAL A O 1174 C CB . VAL A 149 ? 0.7087 0.8094 0.6228 -0.0406 -0.0934 -0.0166 149 VAL A CB 1175 C CG1 . VAL A 149 ? 0.7404 0.8233 0.6494 -0.0427 -0.0890 -0.0190 149 VAL A CG1 1176 C CG2 . VAL A 149 ? 0.7665 0.8725 0.6715 -0.0394 -0.0973 -0.0171 149 VAL A CG2 1177 N N . TRP A 150 ? 0.6082 0.7160 0.5217 -0.0199 -0.0919 -0.0052 150 TRP A N 1178 C CA . TRP A 150 ? 0.6995 0.8021 0.6048 -0.0130 -0.0906 -0.0020 150 TRP A CA 1179 C C . TRP A 150 ? 0.7522 0.8533 0.6462 -0.0150 -0.0931 -0.0045 150 TRP A C 1180 O O . TRP A 150 ? 0.7889 0.9019 0.6807 -0.0155 -0.0983 -0.0051 150 TRP A O 1181 C CB . TRP A 150 ? 0.6401 0.7539 0.5488 -0.0059 -0.0928 0.0025 150 TRP A CB 1182 C CG . TRP A 150 ? 0.6508 0.7577 0.5517 0.0020 -0.0907 0.0067 150 TRP A CG 1183 C CD1 . TRP A 150 ? 0.6504 0.7451 0.5410 0.0028 -0.0880 0.0067 150 TRP A CD1 1184 C CD2 . TRP A 150 ? 0.6527 0.7639 0.5548 0.0100 -0.0909 0.0117 150 TRP A CD2 1185 N NE1 . TRP A 150 ? 0.6364 0.7275 0.5218 0.0104 -0.0866 0.0114 150 TRP A NE1 1186 C CE2 . TRP A 150 ? 0.6037 0.7041 0.4956 0.0151 -0.0883 0.0145 150 TRP A CE2 1187 C CE3 . TRP A 150 ? 0.6490 0.7719 0.5594 0.0137 -0.0929 0.0139 150 TRP A CE3 1188 C CZ2 . TRP A 150 ? 0.6791 0.7786 0.5680 0.0234 -0.0877 0.0196 150 TRP A CZ2 1189 C CZ3 . TRP A 150 ? 0.6968 0.8192 0.6045 0.0226 -0.0923 0.0189 150 TRP A CZ3 1190 C CH2 . TRP A 150 ? 0.7089 0.8190 0.6055 0.0272 -0.0897 0.0217 150 TRP A CH2 1191 N N . LEU A 151 ? 0.7542 0.8411 0.6410 -0.0161 -0.0894 -0.0061 151 LEU A N 1192 C CA . LEU A 151 ? 0.8085 0.8919 0.6839 -0.0182 -0.0911 -0.0089 151 LEU A CA 1193 C C . LEU A 151 ? 0.8869 0.9703 0.7541 -0.0115 -0.0914 -0.0054 151 LEU A C 1194 O O . LEU A 151 ? 0.8590 0.9349 0.7249 -0.0060 -0.0873 -0.0017 151 LEU A O 1195 C CB . LEU A 151 ? 0.8948 0.9631 0.7652 -0.0216 -0.0869 -0.0122 151 LEU A CB 1196 C CG . LEU A 151 ? 0.8483 0.9142 0.7253 -0.0282 -0.0863 -0.0157 151 LEU A CG 1197 C CD1 . LEU A 151 ? 0.7829 0.8335 0.6545 -0.0300 -0.0819 -0.0185 151 LEU A CD1 1198 C CD2 . LEU A 151 ? 0.8876 0.9631 0.7644 -0.0347 -0.0919 -0.0193 151 LEU A CD2 1199 N N . VAL A 152 ? 0.9915 1.0837 0.8529 -0.0121 -0.0965 -0.0065 152 VAL A N 1200 C CA . VAL A 152 ? 1.0336 1.1256 0.8854 -0.0061 -0.0973 -0.0035 152 VAL A CA 1201 C C . VAL A 152 ? 1.0350 1.1234 0.8757 -0.0099 -0.0990 -0.0075 152 VAL A C 1202 O O . VAL A 152 ? 1.0062 1.0959 0.8468 -0.0170 -0.1011 -0.0124 152 VAL A O 1203 C CB . VAL A 152 ? 1.0132 1.1206 0.8674 -0.0011 -0.1022 -0.0002 152 VAL A CB 1204 C CG1 . VAL A 152 ? 1.0872 1.1925 0.9304 0.0061 -0.1025 0.0036 152 VAL A CG1 1205 C CG2 . VAL A 152 ? 0.9491 1.0603 0.8145 0.0023 -0.1006 0.0031 152 VAL A CG2 1206 N N . LYS A 153 ? 1.0525 1.1353 0.8831 -0.0049 -0.0977 -0.0051 153 LYS A N 1207 C CA . LYS A 153 ? 1.1209 1.2022 0.9390 -0.0058 -0.0998 -0.0072 153 LYS A CA 1208 C C . LYS A 153 ? 1.1126 1.2076 0.9281 -0.0090 -0.1070 -0.0099 153 LYS A C 1209 O O . LYS A 153 ? 1.0109 1.1203 0.8315 -0.0064 -0.1113 -0.0076 153 LYS A O 1210 C CB . LYS A 153 ? 1.1289 1.2059 0.9392 0.0019 -0.0978 -0.0022 153 LYS A CB 1211 C CG . LYS A 153 ? 1.1653 1.2281 0.9689 0.0019 -0.0925 -0.0028 153 LYS A CG 1212 C CD . LYS A 153 ? 1.1732 1.2345 0.9638 0.0048 -0.0937 -0.0018 153 LYS A CD 1213 C CE . LYS A 153 ? 1.2517 1.3021 1.0358 0.0012 -0.0903 -0.0056 153 LYS A CE 1214 N NZ . LYS A 153 ? 1.2569 1.3108 1.0438 -0.0062 -0.0936 -0.0116 153 LYS A NZ 1215 N N . THR A 154 ? 1.1682 1.2591 0.9753 -0.0144 -0.1082 -0.0147 154 THR A N 1216 C CA . THR A 154 ? 1.3295 1.4326 1.1323 -0.0179 -0.1150 -0.0176 154 THR A CA 1217 C C . THR A 154 ? 1.3861 1.4941 1.1788 -0.0118 -0.1177 -0.0147 154 THR A C 1218 O O . THR A 154 ? 1.3289 1.4324 1.1193 -0.0042 -0.1148 -0.0096 154 THR A O 1219 C CB . THR A 154 ? 1.2897 1.3863 1.0857 -0.0265 -0.1158 -0.0242 154 THR A CB 1220 O OG1 . THR A 154 ? 1.3433 1.4233 1.1296 -0.0251 -0.1107 -0.0251 154 THR A OG1 1221 C CG2 . THR A 154 ? 1.1154 1.2116 0.9210 -0.0336 -0.1153 -0.0276 154 THR A CG2 1222 N N . ASP A 155 ? 1.8710 1.9880 1.6575 -0.0156 -0.1235 -0.0180 155 ASP A N 1223 C CA . ASP A 155 ? 1.9335 2.0569 1.7094 -0.0109 -0.1273 -0.0162 155 ASP A CA 1224 C C . ASP A 155 ? 1.9298 2.0443 1.6990 -0.0016 -0.1233 -0.0104 155 ASP A C 1225 O O . ASP A 155 ? 1.9109 2.0340 1.6809 0.0055 -0.1255 -0.0056 155 ASP A O 1226 C CB . ASP A 155 ? 1.9761 2.0962 1.7401 -0.0172 -0.1298 -0.0218 155 ASP A CB 1227 C CG . ASP A 155 ? 2.0480 2.1484 1.8056 -0.0199 -0.1237 -0.0247 155 ASP A CG 1228 O OD1 . ASP A 155 ? 2.1984 2.2876 1.9548 -0.0144 -0.1179 -0.0211 155 ASP A OD1 1229 O OD2 . ASP A 155 ? 1.9988 2.0950 1.7525 -0.0276 -0.1247 -0.0306 155 ASP A OD2 1230 N N . SER A 156 ? 1.6183 1.7158 1.3809 -0.0018 -0.1174 -0.0111 156 SER A N 1231 C CA . SER A 156 ? 1.5964 1.6828 1.3530 0.0054 -0.1122 -0.0061 156 SER A CA 1232 C C . SER A 156 ? 1.5008 1.5703 1.2502 0.0031 -0.1061 -0.0084 156 SER A C 1233 O O . SER A 156 ? 1.4397 1.4994 1.1846 0.0079 -0.1010 -0.0048 156 SER A O 1234 C CB . SER A 156 ? 1.6757 1.7679 1.4220 0.0119 -0.1157 -0.0024 156 SER A CB 1235 O OG . SER A 156 ? 1.6650 1.7699 1.4189 0.0170 -0.1191 0.0018 156 SER A OG 1236 N N . ALA A 157 ? 1.9556 2.0216 1.7035 -0.0040 -0.1065 -0.0146 157 ALA A N 1237 C CA . ALA A 157 ? 1.9305 1.9809 1.6729 -0.0061 -0.1005 -0.0173 157 ALA A CA 1238 C C . ALA A 157 ? 1.8651 1.9076 1.6171 -0.0046 -0.0941 -0.0150 157 ALA A C 1239 O O . ALA A 157 ? 1.8469 1.8952 1.6106 -0.0056 -0.0952 -0.0142 157 ALA A O 1240 C CB . ALA A 157 ? 1.8847 1.9332 1.6250 -0.0139 -0.1025 -0.0243 157 ALA A CB 1241 N N . THR A 158 ? 1.7478 1.7779 1.4952 -0.0028 -0.0877 -0.0144 158 THR A N 1242 C CA . THR A 158 ? 1.6073 1.6318 1.3629 0.0001 -0.0819 -0.0107 158 THR A CA 1243 C C . THR A 158 ? 1.5532 1.5758 1.3210 -0.0039 -0.0799 -0.0132 158 THR A C 1244 O O . THR A 158 ? 1.5911 1.6103 1.3573 -0.0088 -0.0804 -0.0184 158 THR A O 1245 C CB . THR A 158 ? 1.5440 1.5567 1.2909 0.0026 -0.0753 -0.0097 158 THR A CB 1246 O OG1 . THR A 158 ? 1.5329 1.5386 1.2751 -0.0014 -0.0734 -0.0154 158 THR A OG1 1247 C CG2 . THR A 158 ? 1.5293 1.5423 1.2638 0.0071 -0.0762 -0.0063 158 THR A CG2 1248 N N . TYR A 159 ? 1.2913 1.3154 1.0702 -0.0019 -0.0777 -0.0096 159 TYR A N 1249 C CA . TYR A 159 ? 1.1551 1.1795 0.9465 -0.0055 -0.0768 -0.0115 159 TYR A CA 1250 C C . TYR A 159 ? 1.0961 1.1097 0.8856 -0.0081 -0.0721 -0.0152 159 TYR A C 1251 O O . TYR A 159 ? 1.1014 1.1081 0.8914 -0.0055 -0.0664 -0.0132 159 TYR A O 1252 C CB . TYR A 159 ? 1.1457 1.1721 0.9477 -0.0020 -0.0745 -0.0066 159 TYR A CB 1253 C CG . TYR A 159 ? 1.0767 1.1072 0.8920 -0.0054 -0.0753 -0.0079 159 TYR A CG 1254 C CD1 . TYR A 159 ? 1.0371 1.0612 0.8561 -0.0096 -0.0727 -0.0117 159 TYR A CD1 1255 C CD2 . TYR A 159 ? 1.0672 1.1081 0.8908 -0.0039 -0.0788 -0.0052 159 TYR A CD2 1256 C CE1 . TYR A 159 ? 1.0263 1.0538 0.8568 -0.0127 -0.0734 -0.0128 159 TYR A CE1 1257 C CE2 . TYR A 159 ? 0.9725 1.0176 0.8081 -0.0071 -0.0794 -0.0063 159 TYR A CE2 1258 C CZ . TYR A 159 ? 1.0293 1.0673 0.8681 -0.0117 -0.0767 -0.0101 159 TYR A CZ 1259 O OH . TYR A 159 ? 1.0487 1.0903 0.8985 -0.0148 -0.0773 -0.0110 159 TYR A OH 1260 N N . PRO A 160 ? 0.8885 0.9006 0.6756 -0.0134 -0.0744 -0.0207 160 PRO A N 1261 C CA . PRO A 160 ? 0.9012 0.9023 0.6844 -0.0153 -0.0703 -0.0248 160 PRO A CA 1262 C C . PRO A 160 ? 0.9029 0.9005 0.6971 -0.0158 -0.0664 -0.0244 160 PRO A C 1263 O O . PRO A 160 ? 0.8547 0.8582 0.6596 -0.0154 -0.0672 -0.0216 160 PRO A O 1264 C CB . PRO A 160 ? 0.8523 0.8535 0.6298 -0.0210 -0.0749 -0.0304 160 PRO A CB 1265 C CG . PRO A 160 ? 0.8569 0.8700 0.6427 -0.0236 -0.0805 -0.0294 160 PRO A CG 1266 C CD . PRO A 160 ? 0.9111 0.9321 0.7014 -0.0180 -0.0807 -0.0233 160 PRO A CD 1267 N N . VAL A 161 ? 0.9938 0.9817 0.7848 -0.0161 -0.0620 -0.0273 161 VAL A N 1268 C CA . VAL A 161 ? 0.9077 0.8919 0.7080 -0.0168 -0.0586 -0.0278 161 VAL A CA 1269 C C . VAL A 161 ? 0.9389 0.9240 0.7430 -0.0223 -0.0625 -0.0315 161 VAL A C 1270 O O . VAL A 161 ? 0.9808 0.9616 0.7766 -0.0258 -0.0648 -0.0360 161 VAL A O 1271 C CB . VAL A 161 ? 0.9081 0.8825 0.7032 -0.0148 -0.0529 -0.0297 161 VAL A CB 1272 C CG1 . VAL A 161 ? 0.9161 0.8869 0.7202 -0.0155 -0.0499 -0.0307 161 VAL A CG1 1273 C CG2 . VAL A 161 ? 0.8833 0.8579 0.6754 -0.0100 -0.0487 -0.0257 161 VAL A CG2 1274 N N . ILE A 162 ? 0.9608 0.9513 0.7769 -0.0233 -0.0634 -0.0294 162 ILE A N 1275 C CA . ILE A 162 ? 0.9449 0.9364 0.7658 -0.0288 -0.0665 -0.0325 162 ILE A CA 1276 C C . ILE A 162 ? 0.9178 0.9021 0.7450 -0.0290 -0.0623 -0.0334 162 ILE A C 1277 O O . ILE A 162 ? 0.9103 0.8931 0.7421 -0.0248 -0.0578 -0.0305 162 ILE A O 1278 C CB . ILE A 162 ? 0.9265 0.9307 0.7563 -0.0302 -0.0711 -0.0299 162 ILE A CB 1279 C CG1 . ILE A 162 ? 0.9362 0.9440 0.7770 -0.0262 -0.0682 -0.0250 162 ILE A CG1 1280 C CG2 . ILE A 162 ? 0.9066 0.9188 0.7300 -0.0292 -0.0753 -0.0287 162 ILE A CG2 1281 C CD1 . ILE A 162 ? 0.8678 0.8884 0.7164 -0.0258 -0.0722 -0.0217 162 ILE A CD1 1282 N N . LYS A 163 ? 0.8545 0.8341 0.6813 -0.0339 -0.0638 -0.0374 163 LYS A N 1283 C CA . LYS A 163 ? 0.8121 0.7836 0.6430 -0.0338 -0.0600 -0.0386 163 LYS A CA 1284 C C . LYS A 163 ? 0.8742 0.8457 0.7100 -0.0397 -0.0628 -0.0407 163 LYS A C 1285 O O . LYS A 163 ? 0.8740 0.8461 0.7046 -0.0451 -0.0671 -0.0438 163 LYS A O 1286 C CB . LYS A 163 ? 0.7910 0.7502 0.6111 -0.0321 -0.0566 -0.0422 163 LYS A CB 1287 C CG . LYS A 163 ? 0.8752 0.8335 0.6925 -0.0260 -0.0520 -0.0399 163 LYS A CG 1288 C CD . LYS A 163 ? 0.9081 0.8549 0.7150 -0.0241 -0.0485 -0.0437 163 LYS A CD 1289 C CE . LYS A 163 ? 0.9921 0.9394 0.7958 -0.0185 -0.0440 -0.0416 163 LYS A CE 1290 N NZ . LYS A 163 ? 0.9745 0.9118 0.7681 -0.0160 -0.0404 -0.0454 163 LYS A NZ 1291 N N . GLY A 164 ? 0.8049 0.7756 0.6502 -0.0390 -0.0604 -0.0392 164 GLY A N 1292 C CA . GLY A 164 ? 0.7337 0.7035 0.5838 -0.0444 -0.0623 -0.0409 164 GLY A CA 1293 C C . GLY A 164 ? 0.7482 0.7086 0.6011 -0.0428 -0.0580 -0.0416 164 GLY A C 1294 O O . GLY A 164 ? 0.7653 0.7246 0.6214 -0.0373 -0.0537 -0.0393 164 GLY A O 1295 N N . THR A 165 ? 0.7823 0.7360 0.6335 -0.0478 -0.0591 -0.0446 165 THR A N 1296 C CA . THR A 165 ? 0.8116 0.7554 0.6642 -0.0462 -0.0554 -0.0454 165 THR A CA 1297 C C . THR A 165 ? 0.8494 0.7923 0.7068 -0.0520 -0.0573 -0.0463 165 THR A C 1298 O O . THR A 165 ? 0.7855 0.7287 0.6389 -0.0587 -0.0613 -0.0487 165 THR A O 1299 C CB . THR A 165 ? 0.8703 0.7996 0.7098 -0.0444 -0.0530 -0.0495 165 THR A CB 1300 O OG1 . THR A 165 ? 0.9658 0.8969 0.8012 -0.0390 -0.0509 -0.0485 165 THR A OG1 1301 C CG2 . THR A 165 ? 0.8554 0.7750 0.6961 -0.0416 -0.0491 -0.0501 165 THR A CG2 1302 N N . TYR A 166 ? 0.7243 0.6662 0.5899 -0.0498 -0.0545 -0.0443 166 TYR A N 1303 C CA . TYR A 166 ? 0.6723 0.6119 0.5419 -0.0548 -0.0556 -0.0450 166 TYR A CA 1304 C C . TYR A 166 ? 0.7275 0.6569 0.5977 -0.0512 -0.0514 -0.0451 166 TYR A C 1305 O O . TYR A 166 ? 0.7401 0.6741 0.6185 -0.0460 -0.0485 -0.0420 166 TYR A O 1306 C CB . TYR A 166 ? 0.6602 0.6147 0.5428 -0.0567 -0.0578 -0.0414 166 TYR A CB 1307 C CG . TYR A 166 ? 0.7068 0.6607 0.5933 -0.0630 -0.0594 -0.0421 166 TYR A CG 1308 C CD1 . TYR A 166 ? 0.6828 0.6321 0.5748 -0.0614 -0.0565 -0.0409 166 TYR A CD1 1309 C CD2 . TYR A 166 ? 0.6230 0.5810 0.5073 -0.0707 -0.0637 -0.0440 166 TYR A CD2 1310 C CE1 . TYR A 166 ? 0.6773 0.6255 0.5722 -0.0672 -0.0577 -0.0415 166 TYR A CE1 1311 C CE2 . TYR A 166 ? 0.7039 0.6613 0.5913 -0.0769 -0.0649 -0.0447 166 TYR A CE2 1312 C CZ . TYR A 166 ? 0.7277 0.6799 0.6204 -0.0751 -0.0618 -0.0433 166 TYR A CZ 1313 O OH . TYR A 166 ? 0.7110 0.6622 0.6063 -0.0814 -0.0628 -0.0439 166 TYR A OH 1314 N N . ASN A 167 ? 0.8020 0.7172 0.6628 -0.0538 -0.0511 -0.0487 167 ASN A N 1315 C CA . ASN A 167 ? 0.8270 0.7330 0.6888 -0.0506 -0.0477 -0.0487 167 ASN A CA 1316 C C . ASN A 167 ? 0.8433 0.7518 0.7125 -0.0560 -0.0493 -0.0475 167 ASN A C 1317 O O . ASN A 167 ? 0.8800 0.7847 0.7444 -0.0633 -0.0522 -0.0497 167 ASN A O 1318 C CB . ASN A 167 ? 0.8321 0.7201 0.6792 -0.0493 -0.0460 -0.0529 167 ASN A CB 1319 C CG . ASN A 167 ? 0.9435 0.8220 0.7912 -0.0454 -0.0426 -0.0527 167 ASN A CG 1320 O OD1 . ASN A 167 ? 0.9460 0.8300 0.8039 -0.0462 -0.0424 -0.0500 167 ASN A OD1 1321 N ND2 . ASN A 167 ? 0.9357 0.8000 0.7722 -0.0410 -0.0401 -0.0555 167 ASN A ND2 1322 N N . ASN A 168 ? 0.7381 0.6531 0.6187 -0.0525 -0.0472 -0.0441 168 ASN A N 1323 C CA . ASN A 168 ? 0.6908 0.6078 0.5786 -0.0566 -0.0480 -0.0428 168 ASN A CA 1324 C C . ASN A 168 ? 0.7380 0.6387 0.6179 -0.0572 -0.0463 -0.0451 168 ASN A C 1325 O O . ASN A 168 ? 0.7091 0.6046 0.5897 -0.0511 -0.0428 -0.0444 168 ASN A O 1326 C CB . ASN A 168 ? 0.6583 0.5868 0.5600 -0.0525 -0.0462 -0.0385 168 ASN A CB 1327 C CG . ASN A 168 ? 0.6501 0.5811 0.5594 -0.0564 -0.0468 -0.0371 168 ASN A CG 1328 O OD1 . ASN A 168 ? 0.6405 0.5655 0.5452 -0.0628 -0.0487 -0.0391 168 ASN A OD1 1329 N ND2 . ASN A 168 ? 0.5858 0.5255 0.5063 -0.0528 -0.0451 -0.0337 168 ASN A ND2 1330 N N . THR A 169 ? 0.8476 0.7404 0.7196 -0.0646 -0.0488 -0.0479 169 THR A N 1331 C CA . THR A 169 ? 0.8879 0.7624 0.7492 -0.0657 -0.0475 -0.0505 169 THR A CA 1332 C C . THR A 169 ? 0.8608 0.7350 0.7276 -0.0705 -0.0478 -0.0491 169 THR A C 1333 O O . THR A 169 ? 0.9102 0.7691 0.7685 -0.0723 -0.0469 -0.0509 169 THR A O 1334 C CB . THR A 169 ? 0.9540 0.8166 0.8001 -0.0713 -0.0496 -0.0550 169 THR A CB 1335 O OG1 . THR A 169 ? 0.9516 0.8226 0.8001 -0.0807 -0.0537 -0.0555 169 THR A OG1 1336 C CG2 . THR A 169 ? 0.8580 0.7206 0.6981 -0.0663 -0.0491 -0.0565 169 THR A CG2 1337 N N . GLY A 170 ? 0.7803 0.6708 0.6608 -0.0723 -0.0491 -0.0459 170 GLY A N 1338 C CA . GLY A 170 ? 0.7990 0.6917 0.6860 -0.0767 -0.0494 -0.0443 170 GLY A CA 1339 C C . GLY A 170 ? 0.7871 0.6795 0.6813 -0.0701 -0.0460 -0.0415 170 GLY A C 1340 O O . GLY A 170 ? 0.7597 0.6484 0.6525 -0.0622 -0.0432 -0.0413 170 GLY A O 1341 N N . THR A 171 ? 0.7209 0.6178 0.6227 -0.0735 -0.0462 -0.0395 171 THR A N 1342 C CA . THR A 171 ? 0.7607 0.6574 0.6692 -0.0682 -0.0433 -0.0370 171 THR A CA 1343 C C . THR A 171 ? 0.7399 0.6547 0.6636 -0.0653 -0.0431 -0.0333 171 THR A C 1344 O O . THR A 171 ? 0.7273 0.6438 0.6574 -0.0604 -0.0407 -0.0311 171 THR A O 1345 C CB . THR A 171 ? 0.8234 0.7113 0.7292 -0.0734 -0.0433 -0.0371 171 THR A CB 1346 O OG1 . THR A 171 ? 0.8339 0.7318 0.7450 -0.0819 -0.0461 -0.0366 171 THR A OG1 1347 C CG2 . THR A 171 ? 0.8051 0.6721 0.6944 -0.0752 -0.0428 -0.0405 171 THR A CG2 1348 N N . GLN A 172 ? 0.6580 0.5857 0.5869 -0.0682 -0.0456 -0.0327 172 GLN A N 1349 C CA . GLN A 172 ? 0.6341 0.5780 0.5763 -0.0658 -0.0457 -0.0293 172 GLN A CA 1350 C C . GLN A 172 ? 0.6232 0.5743 0.5673 -0.0605 -0.0454 -0.0284 172 GLN A C 1351 O O . GLN A 172 ? 0.6192 0.5680 0.5559 -0.0613 -0.0468 -0.0305 172 GLN A O 1352 C CB . GLN A 172 ? 0.6632 0.6183 0.6113 -0.0728 -0.0487 -0.0286 172 GLN A CB 1353 C CG . GLN A 172 ? 0.7105 0.6587 0.6558 -0.0796 -0.0491 -0.0296 172 GLN A CG 1354 C CD . GLN A 172 ? 0.8263 0.7836 0.7730 -0.0883 -0.0527 -0.0304 172 GLN A CD 1355 O OE1 . GLN A 172 ? 0.8849 0.8516 0.8397 -0.0916 -0.0532 -0.0287 172 GLN A OE1 1356 N NE2 . GLN A 172 ? 0.7614 0.7168 0.7001 -0.0919 -0.0551 -0.0331 172 GLN A NE2 1357 N N . PRO A 173 ? 0.5733 0.5327 0.5267 -0.0552 -0.0435 -0.0254 173 PRO A N 1358 C CA . PRO A 173 ? 0.4905 0.4574 0.4461 -0.0507 -0.0432 -0.0241 173 PRO A CA 1359 C C . PRO A 173 ? 0.4950 0.4728 0.4529 -0.0542 -0.0467 -0.0237 173 PRO A C 1360 O O . PRO A 173 ? 0.4599 0.4440 0.4222 -0.0590 -0.0489 -0.0233 173 PRO A O 1361 C CB . PRO A 173 ? 0.4676 0.4406 0.4331 -0.0459 -0.0406 -0.0210 173 PRO A CB 1362 C CG . PRO A 173 ? 0.3988 0.3728 0.3696 -0.0493 -0.0410 -0.0202 173 PRO A CG 1363 C CD . PRO A 173 ? 0.4154 0.3772 0.3771 -0.0534 -0.0416 -0.0231 173 PRO A CD 1364 N N . ILE A 174 ? 0.5228 0.5032 0.4774 -0.0516 -0.0472 -0.0237 174 ILE A N 1365 C CA . ILE A 174 ? 0.4828 0.4736 0.4386 -0.0539 -0.0506 -0.0232 174 ILE A CA 1366 C C . ILE A 174 ? 0.4929 0.4934 0.4551 -0.0487 -0.0499 -0.0198 174 ILE A C 1367 O O . ILE A 174 ? 0.4856 0.4830 0.4455 -0.0438 -0.0475 -0.0192 174 ILE A O 1368 C CB . ILE A 174 ? 0.5410 0.5263 0.4857 -0.0561 -0.0525 -0.0263 174 ILE A CB 1369 C CG1 . ILE A 174 ? 0.5501 0.5267 0.4880 -0.0628 -0.0540 -0.0297 174 ILE A CG1 1370 C CG2 . ILE A 174 ? 0.4836 0.4804 0.4292 -0.0567 -0.0558 -0.0255 174 ILE A CG2 1371 C CD1 . ILE A 174 ? 0.5792 0.5456 0.5044 -0.0642 -0.0547 -0.0333 174 ILE A CD1 1372 N N . LEU A 175 ? 0.4730 0.4852 0.4431 -0.0497 -0.0519 -0.0177 175 LEU A N 1373 C CA . LEU A 175 ? 0.4828 0.5038 0.4578 -0.0450 -0.0517 -0.0145 175 LEU A CA 1374 C C . LEU A 175 ? 0.5395 0.5665 0.5100 -0.0453 -0.0549 -0.0148 175 LEU A C 1375 O O . LEU A 175 ? 0.5528 0.5863 0.5235 -0.0499 -0.0585 -0.0159 175 LEU A O 1376 C CB . LEU A 175 ? 0.4345 0.4648 0.4198 -0.0450 -0.0520 -0.0119 175 LEU A CB 1377 C CG . LEU A 175 ? 0.4539 0.4932 0.4443 -0.0401 -0.0520 -0.0085 175 LEU A CG 1378 C CD1 . LEU A 175 ? 0.3696 0.4032 0.3601 -0.0347 -0.0481 -0.0067 175 LEU A CD1 1379 C CD2 . LEU A 175 ? 0.4291 0.4784 0.4285 -0.0410 -0.0532 -0.0068 175 LEU A CD2 1380 N N . TYR A 176 ? 0.5140 0.5392 0.4803 -0.0408 -0.0538 -0.0137 176 TYR A N 1381 C CA . TYR A 176 ? 0.5039 0.5344 0.4651 -0.0407 -0.0568 -0.0139 176 TYR A CA 1382 C C . TYR A 176 ? 0.4731 0.5072 0.4350 -0.0347 -0.0557 -0.0105 176 TYR A C 1383 O O . TYR A 176 ? 0.4784 0.5084 0.4426 -0.0309 -0.0520 -0.0087 176 TYR A O 1384 C CB . TYR A 176 ? 0.4806 0.5021 0.4310 -0.0427 -0.0572 -0.0173 176 TYR A CB 1385 C CG . TYR A 176 ? 0.4822 0.4940 0.4280 -0.0384 -0.0531 -0.0174 176 TYR A CG 1386 C CD1 . TYR A 176 ? 0.5090 0.5121 0.4553 -0.0383 -0.0499 -0.0185 176 TYR A CD1 1387 C CD2 . TYR A 176 ? 0.5267 0.5384 0.4673 -0.0345 -0.0523 -0.0163 176 TYR A CD2 1388 C CE1 . TYR A 176 ? 0.5289 0.5247 0.4714 -0.0342 -0.0461 -0.0187 176 TYR A CE1 1389 C CE2 . TYR A 176 ? 0.4530 0.4569 0.3895 -0.0310 -0.0484 -0.0164 176 TYR A CE2 1390 C CZ . TYR A 176 ? 0.5141 0.5107 0.4519 -0.0308 -0.0453 -0.0176 176 TYR A CZ 1391 O OH . TYR A 176 ? 0.5489 0.5396 0.4832 -0.0271 -0.0414 -0.0178 176 TYR A OH 1392 N N . PHE A 177 ? 0.5905 0.6320 0.5497 -0.0339 -0.0589 -0.0098 177 PHE A N 1393 C CA . PHE A 177 ? 0.5538 0.5990 0.5128 -0.0282 -0.0584 -0.0063 177 PHE A CA 1394 C C . PHE A 177 ? 0.6131 0.6569 0.5625 -0.0269 -0.0598 -0.0068 177 PHE A C 1395 O O . PHE A 177 ? 0.5856 0.6292 0.5294 -0.0307 -0.0625 -0.0099 177 PHE A O 1396 C CB . PHE A 177 ? 0.5328 0.5903 0.4989 -0.0270 -0.0611 -0.0039 177 PHE A CB 1397 C CG . PHE A 177 ? 0.5931 0.6530 0.5685 -0.0285 -0.0600 -0.0034 177 PHE A CG 1398 C CD1 . PHE A 177 ? 0.5134 0.5765 0.4918 -0.0345 -0.0621 -0.0060 177 PHE A CD1 1399 C CD2 . PHE A 177 ? 0.5137 0.5721 0.4942 -0.0244 -0.0569 -0.0005 177 PHE A CD2 1400 C CE1 . PHE A 177 ? 0.5068 0.5720 0.4933 -0.0359 -0.0609 -0.0055 177 PHE A CE1 1401 C CE2 . PHE A 177 ? 0.5086 0.5692 0.4973 -0.0257 -0.0559 -0.0002 177 PHE A CE2 1402 C CZ . PHE A 177 ? 0.4874 0.5515 0.4792 -0.0314 -0.0579 -0.0026 177 PHE A CZ 1403 N N . TRP A 178 ? 0.5195 0.5618 0.4662 -0.0216 -0.0579 -0.0038 178 TRP A N 1404 C CA . TRP A 178 ? 0.5394 0.5811 0.4770 -0.0196 -0.0591 -0.0036 178 TRP A CA 1405 C C . TRP A 178 ? 0.5482 0.5904 0.4850 -0.0137 -0.0574 0.0007 178 TRP A C 1406 O O . TRP A 178 ? 0.5608 0.6022 0.5036 -0.0115 -0.0549 0.0031 178 TRP A O 1407 C CB . TRP A 178 ? 0.5688 0.6002 0.4984 -0.0210 -0.0568 -0.0065 178 TRP A CB 1408 C CG . TRP A 178 ? 0.6094 0.6327 0.5383 -0.0179 -0.0514 -0.0050 178 TRP A CG 1409 C CD1 . TRP A 178 ? 0.6453 0.6651 0.5681 -0.0142 -0.0491 -0.0031 178 TRP A CD1 1410 C CD2 . TRP A 178 ? 0.5523 0.5707 0.4868 -0.0185 -0.0478 -0.0055 178 TRP A CD2 1411 N NE1 . TRP A 178 ? 0.5868 0.6004 0.5113 -0.0129 -0.0442 -0.0024 178 TRP A NE1 1412 C CE2 . TRP A 178 ? 0.5981 0.6111 0.5299 -0.0153 -0.0434 -0.0040 178 TRP A CE2 1413 C CE3 . TRP A 178 ? 0.5336 0.5518 0.4747 -0.0215 -0.0478 -0.0071 178 TRP A CE3 1414 C CZ2 . TRP A 178 ? 0.5184 0.5269 0.4544 -0.0149 -0.0393 -0.0041 178 TRP A CZ2 1415 C CZ3 . TRP A 178 ? 0.5150 0.5280 0.4599 -0.0207 -0.0438 -0.0071 178 TRP A CZ3 1416 C CH2 . TRP A 178 ? 0.5049 0.5136 0.4474 -0.0174 -0.0396 -0.0056 178 TRP A CH2 1417 N N . GLY A 179 ? 0.5959 0.6386 0.5246 -0.0112 -0.0588 0.0017 179 GLY A N 1418 C CA . GLY A 179 ? 0.5973 0.6393 0.5237 -0.0056 -0.0574 0.0059 179 GLY A CA 1419 C C . GLY A 179 ? 0.6102 0.6466 0.5256 -0.0034 -0.0563 0.0067 179 GLY A C 1420 O O . GLY A 179 ? 0.5697 0.6040 0.4788 -0.0058 -0.0573 0.0037 179 GLY A O 1421 N N . VAL A 180 ? 0.6643 0.6976 0.5769 0.0013 -0.0540 0.0106 180 VAL A N 1422 C CA . VAL A 180 ? 0.7094 0.7379 0.6112 0.0040 -0.0531 0.0122 180 VAL A CA 1423 C C . VAL A 180 ? 0.6725 0.7051 0.5716 0.0093 -0.0554 0.0163 180 VAL A C 1424 O O . VAL A 180 ? 0.6718 0.7043 0.5754 0.0121 -0.0541 0.0193 180 VAL A O 1425 C CB . VAL A 180 ? 0.7041 0.7224 0.6030 0.0043 -0.0471 0.0132 180 VAL A CB 1426 C CG1 . VAL A 180 ? 0.7215 0.7351 0.6089 0.0073 -0.0459 0.0154 180 VAL A CG1 1427 C CG2 . VAL A 180 ? 0.6758 0.6905 0.5763 0.0001 -0.0450 0.0090 180 VAL A CG2 1428 N N . HIS A 181 ? 0.6894 0.7256 0.5807 0.0108 -0.0589 0.0164 181 HIS A N 1429 C CA . HIS A 181 ? 0.7114 0.7519 0.5991 0.0166 -0.0614 0.0204 181 HIS A CA 1430 C C . HIS A 181 ? 0.6620 0.6922 0.5404 0.0207 -0.0576 0.0243 181 HIS A C 1431 O O . HIS A 181 ? 0.7232 0.7461 0.5945 0.0191 -0.0548 0.0234 181 HIS A O 1432 C CB . HIS A 181 ? 0.7005 0.7506 0.5840 0.0166 -0.0672 0.0189 181 HIS A CB 1433 C CG . HIS A 181 ? 0.7665 0.8237 0.6479 0.0229 -0.0707 0.0227 181 HIS A CG 1434 N ND1 . HIS A 181 ? 0.7759 0.8335 0.6466 0.0268 -0.0729 0.0245 181 HIS A ND1 1435 C CD2 . HIS A 181 ? 0.7467 0.8107 0.6349 0.0266 -0.0722 0.0250 181 HIS A CD2 1436 C CE1 . HIS A 181 ? 0.8017 0.8662 0.6726 0.0328 -0.0757 0.0278 181 HIS A CE1 1437 N NE2 . HIS A 181 ? 0.7246 0.7931 0.6061 0.0330 -0.0753 0.0282 181 HIS A NE2 1438 N N . HIS A 182 ? 0.6978 0.7269 0.5759 0.0259 -0.0572 0.0285 182 HIS A N 1439 C CA . HIS A 182 ? 0.7349 0.7536 0.6032 0.0300 -0.0537 0.0327 182 HIS A CA 1440 C C . HIS A 182 ? 0.7751 0.7975 0.6369 0.0368 -0.0575 0.0363 182 HIS A C 1441 O O . HIS A 182 ? 0.7711 0.7948 0.6361 0.0411 -0.0580 0.0391 182 HIS A O 1442 C CB . HIS A 182 ? 0.8079 0.8183 0.6802 0.0301 -0.0487 0.0347 182 HIS A CB 1443 C CG . HIS A 182 ? 0.7487 0.7563 0.6280 0.0241 -0.0451 0.0315 182 HIS A CG 1444 N ND1 . HIS A 182 ? 0.7969 0.7973 0.6712 0.0210 -0.0411 0.0303 182 HIS A ND1 1445 C CD2 . HIS A 182 ? 0.7456 0.7569 0.6364 0.0211 -0.0448 0.0292 182 HIS A CD2 1446 C CE1 . HIS A 182 ? 0.7726 0.7727 0.6550 0.0167 -0.0386 0.0274 182 HIS A CE1 1447 N NE2 . HIS A 182 ? 0.7688 0.7750 0.6610 0.0166 -0.0408 0.0268 182 HIS A NE2 1448 N N . PRO A 183 ? 0.7655 0.7895 0.6178 0.0381 -0.0601 0.0364 183 PRO A N 1449 C CA . PRO A 183 ? 0.7757 0.8036 0.6210 0.0452 -0.0639 0.0399 183 PRO A CA 1450 C C . PRO A 183 ? 0.8057 0.8217 0.6430 0.0509 -0.0603 0.0453 183 PRO A C 1451 O O . PRO A 183 ? 0.7593 0.7630 0.5936 0.0486 -0.0547 0.0462 183 PRO A O 1452 C CB . PRO A 183 ? 0.7999 0.8295 0.6356 0.0443 -0.0663 0.0385 183 PRO A CB 1453 C CG . PRO A 183 ? 0.8024 0.8332 0.6433 0.0365 -0.0654 0.0332 183 PRO A CG 1454 C CD . PRO A 183 ? 0.7752 0.7979 0.6227 0.0335 -0.0598 0.0330 183 PRO A CD 1455 N N . LEU A 184 ? 0.8418 0.8613 0.6753 0.0583 -0.0635 0.0489 184 LEU A N 1456 C CA . LEU A 184 ? 0.8494 0.8565 0.6741 0.0643 -0.0604 0.0541 184 LEU A CA 1457 C C . LEU A 184 ? 0.9200 0.9153 0.7291 0.0656 -0.0580 0.0567 184 LEU A C 1458 O O . LEU A 184 ? 0.9144 0.8951 0.7163 0.0663 -0.0530 0.0598 184 LEU A O 1459 C CB . LEU A 184 ? 0.8758 0.8905 0.7009 0.0728 -0.0646 0.0571 184 LEU A CB 1460 C CG . LEU A 184 ? 0.9166 0.9425 0.7361 0.0781 -0.0708 0.0578 184 LEU A CG 1461 C CD1 . LEU A 184 ? 1.0181 1.0324 0.8213 0.0853 -0.0698 0.0631 184 LEU A CD1 1462 C CD2 . LEU A 184 ? 0.9304 0.9726 0.7596 0.0823 -0.0758 0.0575 184 LEU A CD2 1463 N N . ASP A 185 ? 1.0222 1.0237 0.8256 0.0655 -0.0615 0.0554 185 ASP A N 1464 C CA . ASP A 185 ? 1.0507 1.0416 0.8392 0.0660 -0.0592 0.0575 185 ASP A CA 1465 C C . ASP A 185 ? 1.0623 1.0581 0.8497 0.0604 -0.0603 0.0532 185 ASP A C 1466 O O . ASP A 185 ? 1.0804 1.0875 0.8779 0.0561 -0.0633 0.0486 185 ASP A O 1467 C CB . ASP A 185 ? 1.0402 1.0298 0.8165 0.0751 -0.0623 0.0624 185 ASP A CB 1468 C CG . ASP A 185 ? 1.1399 1.1470 0.9194 0.0786 -0.0698 0.0609 185 ASP A CG 1469 O OD1 . ASP A 185 ? 1.1169 1.1345 0.9017 0.0734 -0.0727 0.0563 185 ASP A OD1 1470 O OD2 . ASP A 185 ? 1.1820 1.1923 0.9582 0.0869 -0.0729 0.0645 185 ASP A OD2 1471 N N . THR A 186 ? 0.9157 0.9025 0.6902 0.0604 -0.0579 0.0548 186 THR A N 1472 C CA . THR A 186 ? 0.9567 0.9455 0.7281 0.0552 -0.0579 0.0509 186 THR A CA 1473 C C . THR A 186 ? 0.9052 0.9064 0.6741 0.0568 -0.0647 0.0489 186 THR A C 1474 O O . THR A 186 ? 0.8764 0.8814 0.6450 0.0520 -0.0656 0.0447 186 THR A O 1475 C CB . THR A 186 ? 0.9676 0.9427 0.7253 0.0547 -0.0527 0.0534 186 THR A CB 1476 O OG1 . THR A 186 ? 1.0138 0.9832 0.7587 0.0619 -0.0538 0.0588 186 THR A OG1 1477 C CG2 . THR A 186 ? 0.8691 0.8335 0.6302 0.0506 -0.0457 0.0539 186 THR A CG2 1478 N N . THR A 187 ? 0.9834 0.9913 0.7502 0.0636 -0.0695 0.0518 187 THR A N 1479 C CA . THR A 187 ? 1.0671 1.0884 0.8318 0.0651 -0.0763 0.0499 187 THR A CA 1480 C C . THR A 187 ? 1.0690 1.1055 0.8485 0.0613 -0.0806 0.0454 187 THR A C 1481 O O . THR A 187 ? 1.0764 1.1222 0.8570 0.0573 -0.0844 0.0411 187 THR A O 1482 C CB . THR A 187 ? 1.0916 1.1150 0.8467 0.0746 -0.0801 0.0550 187 THR A CB 1483 O OG1 . THR A 187 ? 1.1222 1.1431 0.8816 0.0799 -0.0790 0.0587 187 THR A OG1 1484 C CG2 . THR A 187 ? 1.1168 1.1269 0.8546 0.0773 -0.0772 0.0586 187 THR A CG2 1485 N N . VAL A 188 ? 1.0420 1.0806 0.8323 0.0623 -0.0798 0.0462 188 VAL A N 1486 C CA . VAL A 188 ? 0.9583 1.0100 0.7633 0.0579 -0.0828 0.0419 188 VAL A CA 1487 C C . VAL A 188 ? 0.9333 0.9818 0.7424 0.0488 -0.0802 0.0367 188 VAL A C 1488 O O . VAL A 188 ? 0.9320 0.9905 0.7467 0.0439 -0.0838 0.0322 188 VAL A O 1489 C CB . VAL A 188 ? 0.9789 1.0311 0.7941 0.0603 -0.0813 0.0439 188 VAL A CB 1490 C CG1 . VAL A 188 ? 0.8736 0.9366 0.7037 0.0541 -0.0830 0.0392 188 VAL A CG1 1491 C CG2 . VAL A 188 ? 0.9546 1.0127 0.7667 0.0697 -0.0848 0.0483 188 VAL A CG2 1492 N N . GLN A 189 ? 0.7969 0.8310 0.6026 0.0468 -0.0739 0.0375 189 GLN A N 1493 C CA . GLN A 189 ? 0.7808 0.8105 0.5885 0.0395 -0.0707 0.0331 189 GLN A CA 1494 C C . GLN A 189 ? 0.8192 0.8528 0.6193 0.0371 -0.0739 0.0298 189 GLN A C 1495 O O . GLN A 189 ? 0.8025 0.8409 0.6075 0.0314 -0.0755 0.0247 189 GLN A O 1496 C CB . GLN A 189 ? 0.8299 0.8445 0.6325 0.0390 -0.0635 0.0352 189 GLN A CB 1497 C CG . GLN A 189 ? 0.7924 0.8020 0.5945 0.0327 -0.0600 0.0310 189 GLN A CG 1498 C CD . GLN A 189 ? 0.8034 0.8158 0.6188 0.0276 -0.0589 0.0271 189 GLN A CD 1499 O OE1 . GLN A 189 ? 0.8364 0.8527 0.6615 0.0283 -0.0596 0.0280 189 GLN A OE1 1500 N NE2 . GLN A 189 ? 0.7941 0.8041 0.6094 0.0226 -0.0570 0.0228 189 GLN A NE2 1501 N N . ASP A 190 ? 1.1191 1.1498 0.9064 0.0415 -0.0748 0.0327 190 ASP A N 1502 C CA . ASP A 190 ? 1.0615 1.0944 0.8395 0.0397 -0.0775 0.0300 190 ASP A CA 1503 C C . ASP A 190 ? 1.0159 1.0645 0.7981 0.0385 -0.0848 0.0269 190 ASP A C 1504 O O . ASP A 190 ? 0.9860 1.0380 0.7671 0.0332 -0.0869 0.0220 190 ASP A O 1505 C CB . ASP A 190 ? 1.1237 1.1498 0.8866 0.0452 -0.0766 0.0344 190 ASP A CB 1506 C CG . ASP A 190 ? 1.2473 1.2690 0.9995 0.0422 -0.0757 0.0318 190 ASP A CG 1507 O OD1 . ASP A 190 ? 1.2631 1.2935 1.0116 0.0414 -0.0810 0.0291 190 ASP A OD1 1508 O OD2 . ASP A 190 ? 1.2699 1.2800 1.0172 0.0406 -0.0696 0.0323 190 ASP A OD2 1509 N N . ASN A 191 ? 0.9800 1.0381 0.7670 0.0433 -0.0887 0.0296 191 ASN A N 1510 C CA . ASN A 191 ? 1.0315 1.1065 0.8236 0.0422 -0.0957 0.0270 191 ASN A CA 1511 C C . ASN A 191 ? 1.0568 1.1377 0.8608 0.0341 -0.0966 0.0215 191 ASN A C 1512 O O . ASN A 191 ? 1.0634 1.1564 0.8695 0.0305 -0.1019 0.0178 191 ASN A O 1513 C CB . ASN A 191 ? 1.0706 1.1548 0.8665 0.0497 -0.0989 0.0313 191 ASN A CB 1514 C CG . ASN A 191 ? 1.1621 1.2442 0.9447 0.0580 -0.1004 0.0362 191 ASN A CG 1515 O OD1 . ASN A 191 ? 1.1587 1.2386 0.9301 0.0577 -0.1015 0.0355 191 ASN A OD1 1516 N ND2 . ASN A 191 ? 1.1584 1.2408 0.9416 0.0658 -0.1004 0.0412 191 ASN A ND2 1517 N N . LEU A 192 ? 1.0049 1.0773 0.8162 0.0312 -0.0914 0.0208 192 LEU A N 1518 C CA . LEU A 192 ? 0.9425 1.0191 0.7651 0.0241 -0.0917 0.0162 192 LEU A CA 1519 C C . LEU A 192 ? 0.8821 0.9484 0.7023 0.0177 -0.0881 0.0119 192 LEU A C 1520 O O . LEU A 192 ? 0.8447 0.9150 0.6688 0.0114 -0.0901 0.0070 192 LEU A O 1521 C CB . LEU A 192 ? 0.8838 0.9604 0.7181 0.0255 -0.0893 0.0183 192 LEU A CB 1522 C CG . LEU A 192 ? 0.8870 0.9789 0.7304 0.0277 -0.0940 0.0193 192 LEU A CG 1523 C CD1 . LEU A 192 ? 0.9513 1.0510 0.7877 0.0352 -0.0982 0.0230 192 LEU A CD1 1524 C CD2 . LEU A 192 ? 0.8315 0.9208 0.6850 0.0294 -0.0906 0.0215 192 LEU A CD2 1525 N N . TYR A 193 ? 0.8894 0.9425 0.7028 0.0193 -0.0825 0.0136 193 TYR A N 1526 C CA . TYR A 193 ? 0.9640 1.0076 0.7760 0.0142 -0.0784 0.0098 193 TYR A CA 1527 C C . TYR A 193 ? 1.0145 1.0500 0.8128 0.0152 -0.0763 0.0098 193 TYR A C 1528 O O . TYR A 193 ? 1.0642 1.0924 0.8596 0.0116 -0.0731 0.0064 193 TYR A O 1529 C CB . TYR A 193 ? 0.9520 0.9879 0.7720 0.0139 -0.0725 0.0111 193 TYR A CB 1530 C CG . TYR A 193 ? 0.8425 0.8853 0.6750 0.0144 -0.0739 0.0124 193 TYR A CG 1531 C CD1 . TYR A 193 ? 0.8397 0.8900 0.6811 0.0095 -0.0770 0.0086 193 TYR A CD1 1532 C CD2 . TYR A 193 ? 0.8538 0.8952 0.6886 0.0197 -0.0721 0.0175 193 TYR A CD2 1533 C CE1 . TYR A 193 ? 0.8234 0.8807 0.6763 0.0099 -0.0781 0.0098 193 TYR A CE1 1534 C CE2 . TYR A 193 ? 0.9139 0.9616 0.7597 0.0205 -0.0733 0.0186 193 TYR A CE2 1535 C CZ . TYR A 193 ? 0.8557 0.9119 0.7108 0.0157 -0.0763 0.0147 193 TYR A CZ 1536 O OH . TYR A 193 ? 0.7286 0.7915 0.5946 0.0165 -0.0772 0.0159 193 TYR A OH 1537 N N . GLY A 194 ? 1.0787 1.1153 0.8682 0.0205 -0.0779 0.0136 194 GLY A N 1538 C CA . GLY A 194 ? 1.0629 1.0920 0.8387 0.0219 -0.0758 0.0142 194 GLY A CA 1539 C C . GLY A 194 ? 1.1343 1.1512 0.9072 0.0236 -0.0686 0.0173 194 GLY A C 1540 O O . GLY A 194 ? 1.1064 1.1207 0.8871 0.0247 -0.0657 0.0199 194 GLY A O 1541 N N . SER A 195 ? 1.1555 1.1650 0.9170 0.0236 -0.0657 0.0170 195 SER A N 1542 C CA . SER A 195 ? 1.1387 1.1374 0.8958 0.0249 -0.0588 0.0202 195 SER A CA 1543 C C . SER A 195 ? 1.0800 1.0733 0.8416 0.0203 -0.0536 0.0164 195 SER A C 1544 O O . SER A 195 ? 1.0297 1.0259 0.7951 0.0165 -0.0554 0.0113 195 SER A O 1545 C CB . SER A 195 ? 1.1200 1.1139 0.8613 0.0278 -0.0581 0.0225 195 SER A CB 1546 O OG . SER A 195 ? 1.1321 1.1263 0.8669 0.0249 -0.0590 0.0178 195 SER A OG 1547 N N . GLY A 196 ? 0.9197 0.9051 0.6805 0.0208 -0.0473 0.0191 196 GLY A N 1548 C CA . GLY A 196 ? 0.9307 0.9119 0.6959 0.0172 -0.0420 0.0161 196 GLY A CA 1549 C C . GLY A 196 ? 0.9400 0.9212 0.7183 0.0160 -0.0396 0.0169 196 GLY A C 1550 O O . GLY A 196 ? 0.8018 0.7875 0.5875 0.0172 -0.0428 0.0184 196 GLY A O 1551 N N . ASP A 197 ? 1.1507 1.1273 0.9315 0.0139 -0.0337 0.0157 197 ASP A N 1552 C CA . ASP A 197 ? 1.0929 1.0696 0.8860 0.0123 -0.0311 0.0159 197 ASP A CA 1553 C C . ASP A 197 ? 1.0423 1.0244 0.8452 0.0099 -0.0347 0.0115 197 ASP A C 1554 O O . ASP A 197 ? 1.0489 1.0310 0.8502 0.0077 -0.0350 0.0069 197 ASP A O 1555 C CB . ASP A 197 ? 1.0481 1.0199 0.8409 0.0106 -0.0240 0.0156 197 ASP A CB 1556 C CG . ASP A 197 ? 1.1486 1.1147 0.9328 0.0120 -0.0199 0.0204 197 ASP A CG 1557 O OD1 . ASP A 197 ? 1.1813 1.1461 0.9615 0.0148 -0.0222 0.0245 197 ASP A OD1 1558 O OD2 . ASP A 197 ? 1.1754 1.1384 0.9567 0.0105 -0.0143 0.0201 197 ASP A OD2 1559 N N . LYS A 198 ? 0.8844 0.8704 0.6968 0.0102 -0.0372 0.0128 198 LYS A N 1560 C CA . LYS A 198 ? 0.8558 0.8470 0.6775 0.0076 -0.0407 0.0091 198 LYS A CA 1561 C C . LYS A 198 ? 0.7835 0.7735 0.6162 0.0056 -0.0372 0.0083 198 LYS A C 1562 O O . LYS A 198 ? 0.7350 0.7219 0.5703 0.0066 -0.0331 0.0114 198 LYS A O 1563 C CB . LYS A 198 ? 0.8029 0.8014 0.6280 0.0091 -0.0466 0.0107 198 LYS A CB 1564 C CG . LYS A 198 ? 0.8827 0.8842 0.6975 0.0113 -0.0508 0.0115 198 LYS A CG 1565 C CD . LYS A 198 ? 0.8565 0.8578 0.6649 0.0083 -0.0525 0.0066 198 LYS A CD 1566 C CE . LYS A 198 ? 0.9413 0.9467 0.7398 0.0102 -0.0573 0.0071 198 LYS A CE 1567 N NZ . LYS A 198 ? 0.9740 0.9799 0.7667 0.0068 -0.0597 0.0018 198 LYS A NZ 1568 N N . TYR A 199 ? 0.9061 0.8981 0.7444 0.0027 -0.0388 0.0040 199 TYR A N 1569 C CA . TYR A 199 ? 0.8832 0.8742 0.7316 0.0009 -0.0359 0.0028 199 TYR A CA 1570 C C . TYR A 199 ? 0.8920 0.8872 0.7481 -0.0017 -0.0399 -0.0003 199 TYR A C 1571 O O . TYR A 199 ? 0.8112 0.8091 0.6638 -0.0032 -0.0444 -0.0028 199 TYR A O 1572 C CB . TYR A 199 ? 0.8811 0.8670 0.7264 0.0001 -0.0309 0.0002 199 TYR A CB 1573 C CG . TYR A 199 ? 0.9573 0.9417 0.7961 -0.0013 -0.0328 -0.0045 199 TYR A CG 1574 C CD1 . TYR A 199 ? 0.9153 0.8993 0.7588 -0.0038 -0.0343 -0.0086 199 TYR A CD1 1575 C CD2 . TYR A 199 ? 0.9540 0.9363 0.7811 -0.0002 -0.0329 -0.0050 199 TYR A CD2 1576 C CE1 . TYR A 199 ? 0.9538 0.9348 0.7902 -0.0053 -0.0358 -0.0131 199 TYR A CE1 1577 C CE2 . TYR A 199 ? 0.9672 0.9472 0.7875 -0.0016 -0.0345 -0.0096 199 TYR A CE2 1578 C CZ . TYR A 199 ? 1.0138 0.9928 0.8386 -0.0041 -0.0359 -0.0137 199 TYR A CZ 1579 O OH . TYR A 199 ? 1.0642 1.0395 0.8812 -0.0056 -0.0374 -0.0183 199 TYR A OH 1580 N N . VAL A 200 ? 0.8292 0.8249 0.6955 -0.0027 -0.0383 0.0000 200 VAL A N 1581 C CA . VAL A 200 ? 0.7266 0.7249 0.6002 -0.0057 -0.0409 -0.0031 200 VAL A CA 1582 C C . VAL A 200 ? 0.7079 0.7019 0.5865 -0.0067 -0.0366 -0.0048 200 VAL A C 1583 O O . VAL A 200 ? 0.7017 0.6953 0.5861 -0.0056 -0.0332 -0.0024 200 VAL A O 1584 C CB . VAL A 200 ? 0.7369 0.7419 0.6189 -0.0055 -0.0442 -0.0007 200 VAL A CB 1585 C CG1 . VAL A 200 ? 0.7720 0.7789 0.6621 -0.0091 -0.0458 -0.0037 200 VAL A CG1 1586 C CG2 . VAL A 200 ? 0.6602 0.6709 0.5374 -0.0044 -0.0491 0.0005 200 VAL A CG2 1587 N N . ARG A 201 ? 0.8346 0.8251 0.7104 -0.0086 -0.0367 -0.0091 201 ARG A N 1588 C CA . ARG A 201 ? 0.8056 0.7920 0.6850 -0.0088 -0.0326 -0.0110 201 ARG A CA 1589 C C . ARG A 201 ? 0.7544 0.7398 0.6382 -0.0117 -0.0349 -0.0144 201 ARG A C 1590 O O . ARG A 201 ? 0.7649 0.7502 0.6447 -0.0142 -0.0390 -0.0168 201 ARG A O 1591 C CB . ARG A 201 ? 0.7686 0.7501 0.6391 -0.0073 -0.0292 -0.0130 201 ARG A CB 1592 C CG . ARG A 201 ? 0.8347 0.8167 0.7039 -0.0048 -0.0248 -0.0095 201 ARG A CG 1593 C CD . ARG A 201 ? 0.8765 0.8554 0.7349 -0.0034 -0.0224 -0.0107 201 ARG A CD 1594 N NE . ARG A 201 ? 0.9141 0.8938 0.7700 -0.0018 -0.0192 -0.0067 201 ARG A NE 1595 C CZ . ARG A 201 ? 0.9963 0.9744 0.8420 -0.0006 -0.0180 -0.0061 201 ARG A CZ 1596 N NH1 . ARG A 201 ? 0.9335 0.9092 0.7708 -0.0006 -0.0198 -0.0095 201 ARG A NH1 1597 N NH2 . ARG A 201 ? 0.9854 0.9635 0.8288 0.0004 -0.0149 -0.0022 201 ARG A NH2 1598 N N . MET A 202 ? 0.7810 0.7654 0.6724 -0.0117 -0.0323 -0.0144 202 MET A N 1599 C CA . MET A 202 ? 0.7891 0.7724 0.6854 -0.0144 -0.0343 -0.0168 202 MET A CA 1600 C C . MET A 202 ? 0.7728 0.7520 0.6727 -0.0132 -0.0302 -0.0180 202 MET A C 1601 O O . MET A 202 ? 0.7614 0.7425 0.6655 -0.0109 -0.0265 -0.0157 202 MET A O 1602 C CB . MET A 202 ? 0.7995 0.7893 0.7046 -0.0159 -0.0372 -0.0143 202 MET A CB 1603 C CG . MET A 202 ? 0.9307 0.9221 0.8362 -0.0199 -0.0419 -0.0166 202 MET A CG 1604 S SD . MET A 202 ? 0.9358 0.9378 0.8472 -0.0207 -0.0463 -0.0134 202 MET A SD 1605 C CE . MET A 202 ? 0.8563 0.8599 0.7584 -0.0178 -0.0472 -0.0118 202 MET A CE 1606 N N . GLY A 203 ? 0.6611 0.6348 0.5588 -0.0146 -0.0308 -0.0216 203 GLY A N 1607 C CA . GLY A 203 ? 0.6498 0.6195 0.5497 -0.0127 -0.0271 -0.0229 203 GLY A CA 1608 C C . GLY A 203 ? 0.7119 0.6755 0.6116 -0.0147 -0.0286 -0.0260 203 GLY A C 1609 O O . GLY A 203 ? 0.7063 0.6657 0.5997 -0.0177 -0.0318 -0.0286 203 GLY A O 1610 N N . THR A 204 ? 0.6909 0.6540 0.5971 -0.0134 -0.0262 -0.0256 204 THR A N 1611 C CA . THR A 204 ? 0.7063 0.6622 0.6115 -0.0144 -0.0267 -0.0283 204 THR A CA 1612 C C . THR A 204 ? 0.7109 0.6635 0.6152 -0.0097 -0.0223 -0.0294 204 THR A C 1613 O O . THR A 204 ? 0.7432 0.6990 0.6464 -0.0065 -0.0192 -0.0286 204 THR A O 1614 C CB . THR A 204 ? 0.6698 0.6287 0.5843 -0.0174 -0.0285 -0.0268 204 THR A CB 1615 O OG1 . THR A 204 ? 0.7080 0.6720 0.6315 -0.0148 -0.0255 -0.0241 204 THR A OG1 1616 C CG2 . THR A 204 ? 0.6376 0.6027 0.5548 -0.0212 -0.0325 -0.0252 204 THR A CG2 1617 N N . GLU A 205 ? 0.7929 0.7394 0.6974 -0.0094 -0.0219 -0.0311 205 GLU A N 1618 C CA . GLU A 205 ? 0.7844 0.7286 0.6885 -0.0044 -0.0180 -0.0320 205 GLU A CA 1619 C C . GLU A 205 ? 0.8037 0.7575 0.7184 -0.0023 -0.0151 -0.0288 205 GLU A C 1620 O O . GLU A 205 ? 0.8649 0.8204 0.7801 0.0020 -0.0114 -0.0291 205 GLU A O 1621 C CB . GLU A 205 ? 0.7902 0.7251 0.6918 -0.0043 -0.0185 -0.0343 205 GLU A CB 1622 C CG . GLU A 205 ? 0.7954 0.7180 0.6838 -0.0042 -0.0195 -0.0383 205 GLU A CG 1623 C CD . GLU A 205 ? 0.8871 0.8058 0.7713 -0.0106 -0.0240 -0.0395 205 GLU A CD 1624 O OE1 . GLU A 205 ? 0.9562 0.8639 0.8291 -0.0117 -0.0252 -0.0429 205 GLU A OE1 1625 O OE2 . GLU A 205 ? 0.8443 0.7710 0.7362 -0.0147 -0.0264 -0.0370 205 GLU A OE2 1626 N N . SER A 206 ? 0.8026 0.7629 0.7254 -0.0054 -0.0167 -0.0258 206 SER A N 1627 C CA . SER A 206 ? 0.8034 0.7716 0.7361 -0.0043 -0.0144 -0.0228 206 SER A CA 1628 C C . SER A 206 ? 0.8077 0.7831 0.7447 -0.0062 -0.0149 -0.0195 206 SER A C 1629 O O . SER A 206 ? 0.8830 0.8642 0.8273 -0.0058 -0.0129 -0.0170 206 SER A O 1630 C CB . SER A 206 ? 0.7981 0.7656 0.7377 -0.0056 -0.0153 -0.0224 206 SER A CB 1631 O OG . SER A 206 ? 0.7735 0.7419 0.7159 -0.0099 -0.0191 -0.0213 206 SER A OG 1632 N N . MET A 207 ? 0.7999 0.7746 0.7318 -0.0081 -0.0175 -0.0195 207 MET A N 1633 C CA . MET A 207 ? 0.7696 0.7501 0.7043 -0.0093 -0.0184 -0.0163 207 MET A CA 1634 C C . MET A 207 ? 0.7202 0.7002 0.6464 -0.0085 -0.0182 -0.0165 207 MET A C 1635 O O . MET A 207 ? 0.7164 0.6915 0.6346 -0.0087 -0.0196 -0.0192 207 MET A O 1636 C CB . MET A 207 ? 0.6970 0.6792 0.6354 -0.0127 -0.0227 -0.0154 207 MET A CB 1637 C CG . MET A 207 ? 0.7521 0.7403 0.6936 -0.0132 -0.0238 -0.0120 207 MET A CG 1638 S SD . MET A 207 ? 0.8149 0.8034 0.7476 -0.0137 -0.0269 -0.0120 207 MET A SD 1639 C CE . MET A 207 ? 0.6775 0.6657 0.6101 -0.0178 -0.0321 -0.0142 207 MET A CE 1640 N N . ASN A 208 ? 0.7946 0.7788 0.7219 -0.0077 -0.0164 -0.0135 208 ASN A N 1641 C CA . ASN A 208 ? 0.7525 0.7366 0.6718 -0.0071 -0.0163 -0.0129 208 ASN A CA 1642 C C . ASN A 208 ? 0.7828 0.7706 0.7040 -0.0080 -0.0181 -0.0093 208 ASN A C 1643 O O . ASN A 208 ? 0.7295 0.7203 0.6579 -0.0081 -0.0171 -0.0066 208 ASN A O 1644 C CB . ASN A 208 ? 0.7393 0.7241 0.6557 -0.0047 -0.0114 -0.0128 208 ASN A CB 1645 C CG . ASN A 208 ? 0.8949 0.8762 0.8078 -0.0026 -0.0094 -0.0165 208 ASN A CG 1646 O OD1 . ASN A 208 ? 0.9371 0.9133 0.8453 -0.0029 -0.0119 -0.0194 208 ASN A OD1 1647 N ND2 . ASN A 208 ? 0.8545 0.8387 0.7692 -0.0005 -0.0049 -0.0163 208 ASN A ND2 1648 N N . PHE A 209 ? 0.6446 0.6319 0.5590 -0.0083 -0.0208 -0.0092 209 PHE A N 1649 C CA . PHE A 209 ? 0.6465 0.6371 0.5612 -0.0082 -0.0226 -0.0057 209 PHE A CA 1650 C C . PHE A 209 ? 0.6643 0.6536 0.5690 -0.0070 -0.0227 -0.0052 209 PHE A C 1651 O O . PHE A 209 ? 0.6876 0.6744 0.5852 -0.0073 -0.0239 -0.0081 209 PHE A O 1652 C CB . PHE A 209 ? 0.6447 0.6382 0.5633 -0.0100 -0.0276 -0.0058 209 PHE A CB 1653 C CG . PHE A 209 ? 0.6327 0.6302 0.5513 -0.0091 -0.0298 -0.0023 209 PHE A CG 1654 C CD1 . PHE A 209 ? 0.5864 0.5862 0.5117 -0.0081 -0.0288 0.0010 209 PHE A CD1 1655 C CD2 . PHE A 209 ? 0.6064 0.6049 0.5175 -0.0088 -0.0330 -0.0023 209 PHE A CD2 1656 C CE1 . PHE A 209 ? 0.6056 0.6082 0.5299 -0.0064 -0.0307 0.0043 209 PHE A CE1 1657 C CE2 . PHE A 209 ? 0.6149 0.6172 0.5254 -0.0071 -0.0352 0.0010 209 PHE A CE2 1658 C CZ . PHE A 209 ? 0.6401 0.6441 0.5570 -0.0056 -0.0340 0.0044 209 PHE A CZ 1659 N N . ALA A 210 ? 0.5790 0.5694 0.4823 -0.0057 -0.0214 -0.0015 210 ALA A N 1660 C CA . ALA A 210 ? 0.6544 0.6434 0.5479 -0.0044 -0.0212 -0.0003 210 ALA A CA 1661 C C . ALA A 210 ? 0.6444 0.6342 0.5376 -0.0031 -0.0213 0.0043 210 ALA A C 1662 O O . ALA A 210 ? 0.6337 0.6230 0.5310 -0.0030 -0.0180 0.0066 210 ALA A O 1663 C CB . ALA A 210 ? 0.6104 0.5967 0.4987 -0.0037 -0.0164 -0.0014 210 ALA A CB 1664 N N . LYS A 211 ? 0.7025 0.6935 0.5904 -0.0021 -0.0251 0.0055 211 LYS A N 1665 C CA . LYS A 211 ? 0.7213 0.7122 0.6073 0.0001 -0.0253 0.0100 211 LYS A CA 1666 C C . LYS A 211 ? 0.8075 0.7983 0.6834 0.0019 -0.0279 0.0111 211 LYS A C 1667 O O . LYS A 211 ? 0.8169 0.8096 0.6891 0.0012 -0.0312 0.0082 211 LYS A O 1668 C CB . LYS A 211 ? 0.7542 0.7491 0.6490 0.0004 -0.0281 0.0114 211 LYS A CB 1669 C CG . LYS A 211 ? 0.8190 0.8114 0.7145 0.0023 -0.0257 0.0158 211 LYS A CG 1670 C CD . LYS A 211 ? 0.8194 0.8159 0.7197 0.0042 -0.0295 0.0178 211 LYS A CD 1671 C CE . LYS A 211 ? 0.8450 0.8371 0.7423 0.0070 -0.0275 0.0224 211 LYS A CE 1672 N NZ . LYS A 211 ? 0.7887 0.7754 0.6877 0.0052 -0.0219 0.0232 211 LYS A NZ 1673 N N . SER A 212 ? 0.8160 0.8039 0.6866 0.0043 -0.0265 0.0152 212 SER A N 1674 C CA . SER A 212 ? 0.7592 0.7466 0.6195 0.0067 -0.0288 0.0170 212 SER A CA 1675 C C . SER A 212 ? 0.7964 0.7856 0.6574 0.0099 -0.0318 0.0209 212 SER A C 1676 O O . SER A 212 ? 0.8724 0.8605 0.7395 0.0104 -0.0303 0.0230 212 SER A O 1677 C CB . SER A 212 ? 0.7598 0.7410 0.6105 0.0071 -0.0241 0.0188 212 SER A CB 1678 O OG . SER A 212 ? 0.8569 0.8371 0.7078 0.0046 -0.0208 0.0153 212 SER A OG 1679 N N . PRO A 213 ? 0.8895 0.8817 0.7441 0.0124 -0.0362 0.0217 213 PRO A N 1680 C CA . PRO A 213 ? 0.8521 0.8462 0.7063 0.0165 -0.0389 0.0256 213 PRO A CA 1681 C C . PRO A 213 ? 0.8608 0.8462 0.7085 0.0191 -0.0347 0.0304 213 PRO A C 1682 O O . PRO A 213 ? 0.8791 0.8580 0.7181 0.0185 -0.0312 0.0311 213 PRO A O 1683 C CB . PRO A 213 ? 0.8843 0.8837 0.7315 0.0185 -0.0441 0.0252 213 PRO A CB 1684 C CG . PRO A 213 ? 0.8328 0.8298 0.6735 0.0158 -0.0429 0.0220 213 PRO A CG 1685 C CD . PRO A 213 ? 0.8606 0.8554 0.7085 0.0116 -0.0392 0.0188 213 PRO A CD 1686 N N . GLU A 214 ? 0.8660 0.8508 0.7177 0.0218 -0.0350 0.0333 214 GLU A N 1687 C CA . GLU A 214 ? 0.9356 0.9109 0.7810 0.0241 -0.0312 0.0379 214 GLU A CA 1688 C C . GLU A 214 ? 0.9557 0.9315 0.7954 0.0304 -0.0349 0.0417 214 GLU A C 1689 O O . GLU A 214 ? 0.9849 0.9636 0.8307 0.0331 -0.0368 0.0430 214 GLU A O 1690 C CB . GLU A 214 ? 0.9296 0.9020 0.7838 0.0220 -0.0276 0.0381 214 GLU A CB 1691 C CG . GLU A 214 ? 0.9718 0.9429 0.8305 0.0166 -0.0233 0.0351 214 GLU A CG 1692 C CD . GLU A 214 ? 1.0523 1.0265 0.9238 0.0142 -0.0224 0.0333 214 GLU A CD 1693 O OE1 . GLU A 214 ? 0.9710 0.9462 0.8470 0.0166 -0.0241 0.0350 214 GLU A OE1 1694 O OE2 . GLU A 214 ? 1.0407 1.0163 0.9173 0.0103 -0.0201 0.0301 214 GLU A OE2 1695 N N . ILE A 215 ? 0.8920 0.8654 0.7199 0.0329 -0.0360 0.0434 215 ILE A N 1696 C CA . ILE A 215 ? 0.8253 0.8008 0.6468 0.0394 -0.0404 0.0466 215 ILE A CA 1697 C C . ILE A 215 ? 0.8260 0.7912 0.6411 0.0439 -0.0378 0.0519 215 ILE A C 1698 O O . ILE A 215 ? 0.8893 0.8427 0.6953 0.0430 -0.0330 0.0543 215 ILE A O 1699 C CB . ILE A 215 ? 0.8384 0.8145 0.6486 0.0406 -0.0424 0.0467 215 ILE A CB 1700 C CG1 . ILE A 215 ? 0.8616 0.8479 0.6774 0.0366 -0.0457 0.0414 215 ILE A CG1 1701 C CG2 . ILE A 215 ? 0.8939 0.8714 0.6961 0.0479 -0.0465 0.0506 215 ILE A CG2 1702 C CD1 . ILE A 215 ? 0.9029 0.8899 0.7077 0.0371 -0.0476 0.0407 215 ILE A CD1 1703 N N . ALA A 216 ? 0.7646 0.7342 0.5842 0.0488 -0.0410 0.0535 216 ALA A N 1704 C CA . ALA A 216 ? 0.8209 0.7807 0.6349 0.0538 -0.0391 0.0582 216 ALA A CA 1705 C C . ALA A 216 ? 0.8618 0.8306 0.6817 0.0599 -0.0439 0.0591 216 ALA A C 1706 O O . ALA A 216 ? 0.8654 0.8471 0.6977 0.0579 -0.0471 0.0557 216 ALA A O 1707 C CB . ALA A 216 ? 0.8582 0.8084 0.6759 0.0494 -0.0331 0.0583 216 ALA A CB 1708 N N . ALA A 217 ? 0.9639 0.9260 0.7747 0.0673 -0.0443 0.0638 217 ALA A N 1709 C CA . ALA A 217 ? 1.0088 0.9794 0.8243 0.0741 -0.0486 0.0650 217 ALA A CA 1710 C C . ALA A 217 ? 1.0063 0.9723 0.8291 0.0741 -0.0458 0.0655 217 ALA A C 1711 O O . ALA A 217 ? 1.0587 1.0094 0.8737 0.0754 -0.0414 0.0686 217 ALA A O 1712 C CB . ALA A 217 ? 0.9860 0.9520 0.7876 0.0833 -0.0508 0.0698 217 ALA A CB 1713 N N . ARG A 218 ? 0.9755 0.9545 0.8128 0.0721 -0.0481 0.0622 218 ARG A N 1714 C CA . ARG A 218 ? 0.9766 0.9534 0.8216 0.0726 -0.0461 0.0624 218 ARG A CA 1715 C C . ARG A 218 ? 0.9653 0.9494 0.8109 0.0817 -0.0501 0.0647 218 ARG A C 1716 O O . ARG A 218 ? 1.0201 1.0154 0.8643 0.0859 -0.0551 0.0649 218 ARG A O 1717 C CB . ARG A 218 ? 0.9332 0.9192 0.7935 0.0650 -0.0459 0.0576 218 ARG A CB 1718 C CG . ARG A 218 ? 0.8788 0.8578 0.7397 0.0566 -0.0414 0.0552 218 ARG A CG 1719 C CD . ARG A 218 ? 0.8529 0.8391 0.7131 0.0530 -0.0437 0.0524 218 ARG A CD 1720 N NE . ARG A 218 ? 0.9243 0.9056 0.7863 0.0454 -0.0397 0.0497 218 ARG A NE 1721 C CZ . ARG A 218 ? 0.9513 0.9366 0.8123 0.0416 -0.0406 0.0469 218 ARG A CZ 1722 N NH1 . ARG A 218 ? 0.9333 0.9270 0.7913 0.0439 -0.0455 0.0464 218 ARG A NH1 1723 N NH2 . ARG A 218 ? 0.9183 0.8992 0.7809 0.0355 -0.0366 0.0446 218 ARG A NH2 1724 N N . PRO A 219 ? 0.9473 0.9254 0.7947 0.0849 -0.0480 0.0664 219 PRO A N 1725 C CA . PRO A 219 ? 0.9471 0.9332 0.7963 0.0939 -0.0516 0.0682 219 PRO A CA 1726 C C . PRO A 219 ? 0.9370 0.9457 0.7991 0.0931 -0.0572 0.0649 219 PRO A C 1727 O O . PRO A 219 ? 0.9678 0.9840 0.8408 0.0850 -0.0571 0.0608 219 PRO A O 1728 C CB . PRO A 219 ? 0.9555 0.9328 0.8083 0.0940 -0.0477 0.0688 219 PRO A CB 1729 C CG . PRO A 219 ? 0.9421 0.9008 0.7872 0.0882 -0.0418 0.0695 219 PRO A CG 1730 C CD . PRO A 219 ? 0.9280 0.8914 0.7750 0.0806 -0.0420 0.0667 219 PRO A CD 1731 N N . ALA A 220 ? 0.8931 0.9126 0.7536 0.1015 -0.0619 0.0666 220 ALA A N 1732 C CA . ALA A 220 ? 0.8875 0.9295 0.7591 0.1005 -0.0674 0.0636 220 ALA A CA 1733 C C . ALA A 220 ? 0.8534 0.9053 0.7400 0.0978 -0.0674 0.0610 220 ALA A C 1734 O O . ALA A 220 ? 0.7916 0.8385 0.6789 0.1027 -0.0654 0.0629 220 ALA A O 1735 C CB . ALA A 220 ? 0.8205 0.8725 0.6862 0.1106 -0.0725 0.0663 220 ALA A CB 1736 N N . VAL A 221 ? 0.7946 0.8596 0.6923 0.0899 -0.0694 0.0566 221 VAL A N 1737 C CA . VAL A 221 ? 0.7119 0.7885 0.6241 0.0865 -0.0700 0.0538 221 VAL A CA 1738 C C . VAL A 221 ? 0.7034 0.8012 0.6235 0.0835 -0.0756 0.0507 221 VAL A C 1739 O O . VAL A 221 ? 0.7113 0.8109 0.6306 0.0770 -0.0768 0.0481 221 VAL A O 1740 C CB . VAL A 221 ? 0.7538 0.8211 0.6720 0.0773 -0.0654 0.0511 221 VAL A CB 1741 C CG1 . VAL A 221 ? 0.6379 0.7185 0.5709 0.0729 -0.0665 0.0479 221 VAL A CG1 1742 C CG2 . VAL A 221 ? 0.7197 0.7675 0.6311 0.0797 -0.0599 0.0539 221 VAL A CG2 1743 N N . ASN A 222 ? 0.8464 0.9602 0.7739 0.0881 -0.0788 0.0508 222 ASN A N 1744 C CA . ASN A 222 ? 0.8953 1.0310 0.8296 0.0861 -0.0845 0.0483 222 ASN A CA 1745 C C . ASN A 222 ? 0.9089 1.0472 0.8335 0.0881 -0.0880 0.0490 222 ASN A C 1746 O O . ASN A 222 ? 0.8936 1.0431 0.8212 0.0819 -0.0915 0.0458 222 ASN A O 1747 C CB . ASN A 222 ? 0.8651 1.0072 0.8104 0.0745 -0.0845 0.0434 222 ASN A CB 1748 C CG . ASN A 222 ? 0.8831 1.0259 0.8389 0.0726 -0.0817 0.0425 222 ASN A CG 1749 O OD1 . ASN A 222 ? 0.8813 1.0248 0.8380 0.0801 -0.0809 0.0451 222 ASN A OD1 1750 N ND2 . ASN A 222 ? 0.8612 1.0033 0.8243 0.0628 -0.0803 0.0389 222 ASN A ND2 1751 N N . GLY A 223 ? 0.8423 0.9691 0.7543 0.0966 -0.0871 0.0533 223 GLY A N 1752 C CA . GLY A 223 ? 0.8176 0.9455 0.7188 0.1001 -0.0902 0.0547 223 GLY A CA 1753 C C . GLY A 223 ? 0.8960 1.0117 0.7902 0.0928 -0.0883 0.0532 223 GLY A C 1754 O O . GLY A 223 ? 0.9382 1.0593 0.8263 0.0928 -0.0918 0.0527 223 GLY A O 1755 N N . GLN A 224 ? 0.8191 0.9191 0.7138 0.0869 -0.0829 0.0523 224 GLN A N 1756 C CA . GLN A 224 ? 0.8133 0.9023 0.7018 0.0801 -0.0807 0.0507 224 GLN A CA 1757 C C . GLN A 224 ? 0.8377 0.9046 0.7179 0.0806 -0.0744 0.0533 224 GLN A C 1758 O O . GLN A 224 ? 0.8660 0.9257 0.7506 0.0805 -0.0707 0.0540 224 GLN A O 1759 C CB . GLN A 224 ? 0.8172 0.9121 0.7162 0.0693 -0.0806 0.0454 224 GLN A CB 1760 C CG . GLN A 224 ? 0.7864 0.9026 0.6953 0.0669 -0.0861 0.0423 224 GLN A CG 1761 C CD . GLN A 224 ? 0.8623 0.9894 0.7651 0.0689 -0.0914 0.0421 224 GLN A CD 1762 O OE1 . GLN A 224 ? 0.8342 0.9524 0.7264 0.0688 -0.0909 0.0427 224 GLN A OE1 1763 N NE2 . GLN A 224 ? 0.8696 1.0166 0.7790 0.0706 -0.0966 0.0412 224 GLN A NE2 1764 N N . ARG A 225 ? 0.8232 0.8797 0.6911 0.0809 -0.0733 0.0548 225 ARG A N 1765 C CA . ARG A 225 ? 0.8272 0.8633 0.6864 0.0800 -0.0673 0.0570 225 ARG A CA 1766 C C . ARG A 225 ? 0.8173 0.8491 0.6787 0.0703 -0.0646 0.0533 225 ARG A C 1767 O O . ARG A 225 ? 0.7958 0.8128 0.6523 0.0674 -0.0593 0.0541 225 ARG A O 1768 C CB . ARG A 225 ? 0.8846 0.9108 0.7275 0.0872 -0.0672 0.0616 225 ARG A CB 1769 C CG . ARG A 225 ? 0.9143 0.9456 0.7535 0.0981 -0.0706 0.0653 225 ARG A CG 1770 C CD . ARG A 225 ? 0.9587 0.9720 0.7891 0.1039 -0.0661 0.0698 225 ARG A CD 1771 N NE . ARG A 225 ? 1.1865 1.1834 1.0002 0.1062 -0.0636 0.0734 225 ARG A NE 1772 C CZ . ARG A 225 ? 1.1707 1.1483 0.9739 0.1093 -0.0589 0.0772 225 ARG A CZ 1773 N NH1 . ARG A 225 ? 1.0163 0.9884 0.8240 0.1107 -0.0563 0.0779 225 ARG A NH1 1774 N NH2 . ARG A 225 ? 1.0970 1.0603 0.8845 0.1107 -0.0568 0.0804 225 ARG A NH2 1775 N N . SER A 226 ? 0.7291 0.7740 0.5973 0.0653 -0.0682 0.0492 226 SER A N 1776 C CA . SER A 226 ? 0.7777 0.8198 0.6492 0.0563 -0.0660 0.0451 226 SER A CA 1777 C C . SER A 226 ? 0.7182 0.7618 0.6026 0.0514 -0.0638 0.0426 226 SER A C 1778 O O . SER A 226 ? 0.6706 0.7188 0.5616 0.0546 -0.0645 0.0437 226 SER A O 1779 C CB . SER A 226 ? 0.7479 0.8016 0.6196 0.0529 -0.0707 0.0416 226 SER A CB 1780 O OG . SER A 226 ? 0.8157 0.8679 0.6750 0.0574 -0.0727 0.0439 226 SER A OG 1781 N N . ARG A 227 ? 0.6477 0.6874 0.5352 0.0440 -0.0612 0.0392 227 ARG A N 1782 C CA . ARG A 227 ? 0.6148 0.6550 0.5137 0.0391 -0.0589 0.0367 227 ARG A CA 1783 C C . ARG A 227 ? 0.6540 0.6980 0.5573 0.0316 -0.0596 0.0318 227 ARG A C 1784 O O . ARG A 227 ? 0.6585 0.7008 0.5549 0.0297 -0.0602 0.0305 227 ARG A O 1785 C CB . ARG A 227 ? 0.5983 0.6241 0.4953 0.0386 -0.0528 0.0386 227 ARG A CB 1786 C CG . ARG A 227 ? 0.6198 0.6398 0.5133 0.0452 -0.0514 0.0430 227 ARG A CG 1787 C CD . ARG A 227 ? 0.5944 0.6238 0.4979 0.0475 -0.0537 0.0429 227 ARG A CD 1788 N NE . ARG A 227 ? 0.6484 0.6697 0.5488 0.0532 -0.0513 0.0467 227 ARG A NE 1789 C CZ . ARG A 227 ? 0.6940 0.7164 0.5884 0.0613 -0.0536 0.0502 227 ARG A CZ 1790 N NH1 . ARG A 227 ? 0.6811 0.7137 0.5725 0.0645 -0.0584 0.0504 227 ARG A NH1 1791 N NH2 . ARG A 227 ? 0.6928 0.7060 0.5837 0.0662 -0.0510 0.0534 227 ARG A NH2 1792 N N . ILE A 228 ? 0.5873 0.6359 0.5016 0.0276 -0.0595 0.0293 228 ILE A N 1793 C CA . ILE A 228 ? 0.5726 0.6213 0.4908 0.0205 -0.0589 0.0248 228 ILE A CA 1794 C C . ILE A 228 ? 0.6078 0.6490 0.5319 0.0176 -0.0541 0.0242 228 ILE A C 1795 O O . ILE A 228 ? 0.6014 0.6439 0.5324 0.0190 -0.0532 0.0255 228 ILE A O 1796 C CB . ILE A 228 ? 0.5749 0.6368 0.5002 0.0170 -0.0637 0.0216 228 ILE A CB 1797 C CG1 . ILE A 228 ? 0.6108 0.6808 0.5299 0.0185 -0.0687 0.0214 228 ILE A CG1 1798 C CG2 . ILE A 228 ? 0.5506 0.6100 0.4797 0.0099 -0.0625 0.0173 228 ILE A CG2 1799 C CD1 . ILE A 228 ? 0.5302 0.6129 0.4552 0.0137 -0.0733 0.0177 228 ILE A CD1 1800 N N . ASP A 229 ? 0.7396 0.7733 0.6609 0.0138 -0.0510 0.0222 229 ASP A N 1801 C CA . ASP A 229 ? 0.6578 0.6865 0.5854 0.0105 -0.0470 0.0208 229 ASP A CA 1802 C C . ASP A 229 ? 0.6870 0.7212 0.6215 0.0054 -0.0490 0.0166 229 ASP A C 1803 O O . ASP A 229 ? 0.6968 0.7296 0.6277 0.0023 -0.0495 0.0137 229 ASP A O 1804 C CB . ASP A 229 ? 0.7258 0.7443 0.6469 0.0094 -0.0423 0.0209 229 ASP A CB 1805 C CG . ASP A 229 ? 0.8398 0.8507 0.7574 0.0126 -0.0385 0.0248 229 ASP A CG 1806 O OD1 . ASP A 229 ? 0.8950 0.9070 0.8172 0.0149 -0.0386 0.0269 229 ASP A OD1 1807 O OD2 . ASP A 229 ? 0.8687 0.8721 0.7785 0.0125 -0.0352 0.0258 229 ASP A OD2 1808 N N . TYR A 230 ? 0.5670 0.6070 0.5108 0.0048 -0.0501 0.0165 230 TYR A N 1809 C CA . TYR A 230 ? 0.5099 0.5542 0.4603 -0.0003 -0.0517 0.0129 230 TYR A CA 1810 C C . TYR A 230 ? 0.4832 0.5200 0.4367 -0.0032 -0.0475 0.0112 230 TYR A C 1811 O O . TYR A 230 ? 0.5297 0.5617 0.4852 -0.0015 -0.0438 0.0131 230 TYR A O 1812 C CB . TYR A 230 ? 0.4957 0.5498 0.4547 0.0001 -0.0543 0.0135 230 TYR A CB 1813 C CG . TYR A 230 ? 0.4967 0.5604 0.4539 0.0035 -0.0586 0.0151 230 TYR A CG 1814 C CD1 . TYR A 230 ? 0.5522 0.6156 0.5070 0.0099 -0.0582 0.0191 230 TYR A CD1 1815 C CD2 . TYR A 230 ? 0.5347 0.6077 0.4922 0.0004 -0.0632 0.0127 230 TYR A CD2 1816 C CE1 . TYR A 230 ? 0.5783 0.6509 0.5310 0.0139 -0.0623 0.0207 230 TYR A CE1 1817 C CE2 . TYR A 230 ? 0.5828 0.6663 0.5389 0.0038 -0.0674 0.0141 230 TYR A CE2 1818 C CZ . TYR A 230 ? 0.5853 0.6688 0.5392 0.0109 -0.0669 0.0182 230 TYR A CZ 1819 O OH . TYR A 230 ? 0.5686 0.6629 0.5209 0.0151 -0.0711 0.0198 230 TYR A OH 1820 N N . TYR A 231 ? 0.4457 0.4816 0.3992 -0.0076 -0.0481 0.0075 231 TYR A N 1821 C CA . TYR A 231 ? 0.4651 0.4947 0.4215 -0.0100 -0.0445 0.0057 231 TYR A CA 1822 C C . TYR A 231 ? 0.4166 0.4488 0.3781 -0.0144 -0.0464 0.0026 231 TYR A C 1823 O O . TYR A 231 ? 0.4307 0.4689 0.3920 -0.0166 -0.0504 0.0012 231 TYR A O 1824 C CB . TYR A 231 ? 0.4617 0.4837 0.4103 -0.0101 -0.0419 0.0043 231 TYR A CB 1825 C CG . TYR A 231 ? 0.5162 0.5347 0.4590 -0.0065 -0.0395 0.0073 231 TYR A CG 1826 C CD1 . TYR A 231 ? 0.4917 0.5054 0.4361 -0.0053 -0.0349 0.0091 231 TYR A CD1 1827 C CD2 . TYR A 231 ? 0.5658 0.5856 0.5008 -0.0046 -0.0417 0.0083 231 TYR A CD2 1828 C CE1 . TYR A 231 ? 0.5619 0.5716 0.5000 -0.0027 -0.0325 0.0119 231 TYR A CE1 1829 C CE2 . TYR A 231 ? 0.5650 0.5806 0.4937 -0.0014 -0.0394 0.0113 231 TYR A CE2 1830 C CZ . TYR A 231 ? 0.6525 0.6627 0.5825 -0.0007 -0.0347 0.0131 231 TYR A CZ 1831 O OH . TYR A 231 ? 0.6481 0.6534 0.5710 0.0018 -0.0322 0.0160 231 TYR A OH 1832 N N . TRP A 232 ? 0.4355 0.4633 0.4013 -0.0159 -0.0435 0.0015 232 TRP A N 1833 C CA . TRP A 232 ? 0.4585 0.4867 0.4281 -0.0201 -0.0448 -0.0013 232 TRP A CA 1834 C C . TRP A 232 ? 0.4853 0.5051 0.4536 -0.0206 -0.0412 -0.0031 232 TRP A C 1835 O O . TRP A 232 ? 0.4515 0.4678 0.4194 -0.0179 -0.0376 -0.0016 232 TRP A O 1836 C CB . TRP A 232 ? 0.4431 0.4776 0.4219 -0.0207 -0.0457 0.0001 232 TRP A CB 1837 C CG . TRP A 232 ? 0.4507 0.4823 0.4347 -0.0185 -0.0418 0.0020 232 TRP A CG 1838 C CD1 . TRP A 232 ? 0.4508 0.4828 0.4358 -0.0146 -0.0401 0.0052 232 TRP A CD1 1839 C CD2 . TRP A 232 ? 0.4353 0.4627 0.4235 -0.0201 -0.0394 0.0007 232 TRP A CD2 1840 N NE1 . TRP A 232 ? 0.4903 0.5190 0.4800 -0.0142 -0.0367 0.0058 232 TRP A NE1 1841 C CE2 . TRP A 232 ? 0.4380 0.4645 0.4301 -0.0174 -0.0363 0.0032 232 TRP A CE2 1842 C CE3 . TRP A 232 ? 0.4309 0.4548 0.4192 -0.0236 -0.0395 -0.0022 232 TRP A CE3 1843 C CZ2 . TRP A 232 ? 0.4128 0.4363 0.4095 -0.0180 -0.0336 0.0027 232 TRP A CZ2 1844 C CZ3 . TRP A 232 ? 0.4032 0.4236 0.3958 -0.0236 -0.0367 -0.0024 232 TRP A CZ3 1845 C CH2 . TRP A 232 ? 0.4142 0.4351 0.4113 -0.0209 -0.0339 0.0000 232 TRP A CH2 1846 N N . SER A 233 ? 0.5054 0.5221 0.4727 -0.0241 -0.0421 -0.0062 233 SER A N 1847 C CA . SER A 233 ? 0.4442 0.4533 0.4108 -0.0242 -0.0389 -0.0080 233 SER A CA 1848 C C . SER A 233 ? 0.4600 0.4671 0.4279 -0.0283 -0.0405 -0.0105 233 SER A C 1849 O O . SER A 233 ? 0.4964 0.5085 0.4661 -0.0315 -0.0439 -0.0109 233 SER A O 1850 C CB . SER A 233 ? 0.4802 0.4832 0.4380 -0.0227 -0.0372 -0.0096 233 SER A CB 1851 O OG . SER A 233 ? 0.5128 0.5092 0.4697 -0.0223 -0.0343 -0.0116 233 SER A OG 1852 N N . VAL A 234 ? 0.5213 0.5211 0.4880 -0.0282 -0.0381 -0.0123 234 VAL A N 1853 C CA . VAL A 234 ? 0.5071 0.5027 0.4734 -0.0319 -0.0393 -0.0147 234 VAL A CA 1854 C C . VAL A 234 ? 0.5368 0.5222 0.4940 -0.0317 -0.0381 -0.0179 234 VAL A C 1855 O O . VAL A 234 ? 0.5154 0.4969 0.4711 -0.0279 -0.0348 -0.0180 234 VAL A O 1856 C CB . VAL A 234 ? 0.4570 0.4533 0.4314 -0.0317 -0.0375 -0.0134 234 VAL A CB 1857 C CG1 . VAL A 234 ? 0.4606 0.4495 0.4325 -0.0348 -0.0378 -0.0159 234 VAL A CG1 1858 C CG2 . VAL A 234 ? 0.3938 0.3997 0.3762 -0.0327 -0.0393 -0.0109 234 VAL A CG2 1859 N N . LEU A 235 ? 0.5309 0.5125 0.4817 -0.0357 -0.0409 -0.0206 235 LEU A N 1860 C CA . LEU A 235 ? 0.5291 0.4998 0.4700 -0.0357 -0.0401 -0.0240 235 LEU A CA 1861 C C . LEU A 235 ? 0.5584 0.5216 0.4994 -0.0373 -0.0392 -0.0253 235 LEU A C 1862 O O . LEU A 235 ? 0.6017 0.5655 0.5446 -0.0422 -0.0415 -0.0257 235 LEU A O 1863 C CB . LEU A 235 ? 0.5629 0.5321 0.4954 -0.0396 -0.0435 -0.0264 235 LEU A CB 1864 C CG . LEU A 235 ? 0.6710 0.6286 0.5913 -0.0390 -0.0427 -0.0300 235 LEU A CG 1865 C CD1 . LEU A 235 ? 0.5614 0.5180 0.4793 -0.0328 -0.0392 -0.0294 235 LEU A CD1 1866 C CD2 . LEU A 235 ? 0.6036 0.5604 0.5160 -0.0437 -0.0465 -0.0325 235 LEU A CD2 1867 N N . ARG A 236 ? 0.6629 0.6194 0.6018 -0.0331 -0.0359 -0.0259 236 ARG A N 1868 C CA . ARG A 236 ? 0.6927 0.6418 0.6316 -0.0334 -0.0347 -0.0268 236 ARG A CA 1869 C C . ARG A 236 ? 0.7387 0.6753 0.6662 -0.0362 -0.0359 -0.0304 236 ARG A C 1870 O O . ARG A 236 ? 0.7521 0.6847 0.6711 -0.0362 -0.0366 -0.0326 236 ARG A O 1871 C CB . ARG A 236 ? 0.7389 0.6872 0.6806 -0.0273 -0.0307 -0.0258 236 ARG A CB 1872 C CG . ARG A 236 ? 0.7850 0.7442 0.7382 -0.0257 -0.0296 -0.0223 236 ARG A CG 1873 C CD . ARG A 236 ? 0.9311 0.8900 0.8873 -0.0206 -0.0259 -0.0216 236 ARG A CD 1874 N NE . ARG A 236 ? 0.9520 0.9141 0.9069 -0.0166 -0.0234 -0.0213 236 ARG A NE 1875 C CZ . ARG A 236 ? 1.0418 1.0067 1.0001 -0.0124 -0.0201 -0.0204 236 ARG A CZ 1876 N NH1 . ARG A 236 ? 1.0648 1.0294 1.0279 -0.0113 -0.0190 -0.0199 236 ARG A NH1 1877 N NH2 . ARG A 236 ? 0.9334 0.9017 0.8901 -0.0096 -0.0179 -0.0202 236 ARG A NH2 1878 N N . PRO A 237 ? 0.6786 0.6080 0.6050 -0.0387 -0.0361 -0.0312 237 PRO A N 1879 C CA . PRO A 237 ? 0.6069 0.5220 0.5211 -0.0414 -0.0368 -0.0347 237 PRO A CA 1880 C C . PRO A 237 ? 0.6863 0.5920 0.5912 -0.0354 -0.0343 -0.0369 237 PRO A C 1881 O O . PRO A 237 ? 0.6380 0.5439 0.5458 -0.0292 -0.0311 -0.0358 237 PRO A O 1882 C CB . PRO A 237 ? 0.5967 0.5059 0.5126 -0.0432 -0.0363 -0.0343 237 PRO A CB 1883 C CG . PRO A 237 ? 0.5552 0.4781 0.4846 -0.0444 -0.0368 -0.0308 237 PRO A CG 1884 C CD . PRO A 237 ? 0.5744 0.5078 0.5101 -0.0394 -0.0355 -0.0289 237 PRO A CD 1885 N N . GLY A 238 ? 0.7410 0.6392 0.6348 -0.0372 -0.0356 -0.0399 238 GLY A N 1886 C CA . GLY A 238 ? 0.6408 0.5299 0.5247 -0.0316 -0.0332 -0.0423 238 GLY A CA 1887 C C . GLY A 238 ? 0.7711 0.6689 0.6563 -0.0283 -0.0325 -0.0416 238 GLY A C 1888 O O . GLY A 238 ? 0.8130 0.7045 0.6889 -0.0248 -0.0311 -0.0440 238 GLY A O 1889 N N . GLU A 239 ? 0.7511 0.6631 0.6473 -0.0291 -0.0332 -0.0385 239 GLU A N 1890 C CA . GLU A 239 ? 0.7229 0.6432 0.6204 -0.0262 -0.0325 -0.0373 239 GLU A CA 1891 C C . GLU A 239 ? 0.7660 0.6869 0.6572 -0.0307 -0.0359 -0.0389 239 GLU A C 1892 O O . GLU A 239 ? 0.7317 0.6509 0.6213 -0.0369 -0.0392 -0.0400 239 GLU A O 1893 C CB . GLU A 239 ? 0.6734 0.6072 0.5839 -0.0250 -0.0317 -0.0332 239 GLU A CB 1894 C CG . GLU A 239 ? 0.7452 0.6813 0.6605 -0.0189 -0.0275 -0.0317 239 GLU A CG 1895 C CD . GLU A 239 ? 0.8076 0.7559 0.7347 -0.0183 -0.0268 -0.0278 239 GLU A CD 1896 O OE1 . GLU A 239 ? 0.6821 0.6365 0.6142 -0.0222 -0.0295 -0.0262 239 GLU A OE1 1897 O OE2 . GLU A 239 ? 0.8420 0.7939 0.7730 -0.0140 -0.0234 -0.0265 239 GLU A OE2 1898 N N . THR A 240 ? 0.6690 0.5927 0.5565 -0.0278 -0.0350 -0.0390 240 THR A N 1899 C CA . THR A 240 ? 0.6977 0.6229 0.5789 -0.0311 -0.0381 -0.0403 240 THR A CA 1900 C C . THR A 240 ? 0.6762 0.6134 0.5631 -0.0289 -0.0379 -0.0371 240 THR A C 1901 O O . THR A 240 ? 0.6531 0.5931 0.5430 -0.0238 -0.0343 -0.0354 240 THR A O 1902 C CB . THR A 240 ? 0.7635 0.6769 0.6304 -0.0298 -0.0374 -0.0443 240 THR A CB 1903 O OG1 . THR A 240 ? 0.7926 0.6929 0.6527 -0.0318 -0.0376 -0.0473 240 THR A OG1 1904 C CG2 . THR A 240 ? 0.6907 0.6063 0.5510 -0.0334 -0.0408 -0.0457 240 THR A CG2 1905 N N . LEU A 241 ? 0.6734 0.6176 0.5613 -0.0328 -0.0416 -0.0363 241 LEU A N 1906 C CA . LEU A 241 ? 0.7015 0.6559 0.5931 -0.0306 -0.0417 -0.0333 241 LEU A CA 1907 C C . LEU A 241 ? 0.7035 0.6567 0.5848 -0.0308 -0.0433 -0.0350 241 LEU A C 1908 O O . LEU A 241 ? 0.6913 0.6423 0.5665 -0.0354 -0.0469 -0.0376 241 LEU A O 1909 C CB . LEU A 241 ? 0.6229 0.5879 0.5241 -0.0336 -0.0448 -0.0305 241 LEU A CB 1910 C CG . LEU A 241 ? 0.6375 0.6121 0.5402 -0.0320 -0.0461 -0.0276 241 LEU A CG 1911 C CD1 . LEU A 241 ? 0.6549 0.6315 0.5613 -0.0266 -0.0419 -0.0246 241 LEU A CD1 1912 C CD2 . LEU A 241 ? 0.5913 0.5759 0.5016 -0.0352 -0.0498 -0.0256 241 LEU A CD2 1913 N N . ASN A 242 ? 0.7269 0.6818 0.6061 -0.0261 -0.0405 -0.0336 242 ASN A N 1914 C CA . ASN A 242 ? 0.7660 0.7213 0.6362 -0.0258 -0.0419 -0.0345 242 ASN A CA 1915 C C . ASN A 242 ? 0.7640 0.7299 0.6388 -0.0246 -0.0430 -0.0305 242 ASN A C 1916 O O . ASN A 242 ? 0.8098 0.7797 0.6911 -0.0213 -0.0400 -0.0271 242 ASN A O 1917 C CB . ASN A 242 ? 0.7675 0.7158 0.6293 -0.0215 -0.0379 -0.0363 242 ASN A CB 1918 C CG . ASN A 242 ? 0.8251 0.7615 0.6785 -0.0222 -0.0375 -0.0409 242 ASN A CG 1919 O OD1 . ASN A 242 ? 0.8802 0.8123 0.7305 -0.0271 -0.0408 -0.0433 242 ASN A OD1 1920 N ND2 . ASN A 242 ? 0.8838 0.8146 0.7331 -0.0174 -0.0332 -0.0421 242 ASN A ND2 1921 N N . VAL A 243 ? 0.6953 0.6653 0.5660 -0.0273 -0.0472 -0.0308 243 VAL A N 1922 C CA . VAL A 243 ? 0.6980 0.6770 0.5708 -0.0254 -0.0485 -0.0271 243 VAL A CA 1923 C C . VAL A 243 ? 0.7733 0.7504 0.6349 -0.0238 -0.0487 -0.0280 243 VAL A C 1924 O O . VAL A 243 ? 0.7684 0.7414 0.6212 -0.0266 -0.0511 -0.0317 243 VAL A O 1925 C CB . VAL A 243 ? 0.7331 0.7211 0.6112 -0.0289 -0.0535 -0.0260 243 VAL A CB 1926 C CG1 . VAL A 243 ? 0.7002 0.6970 0.5814 -0.0256 -0.0542 -0.0216 243 VAL A CG1 1927 C CG2 . VAL A 243 ? 0.7309 0.7199 0.6187 -0.0314 -0.0536 -0.0260 243 VAL A CG2 1928 N N . GLU A 244 ? 0.8126 0.7922 0.6738 -0.0196 -0.0461 -0.0247 244 GLU A N 1929 C CA . GLU A 244 ? 0.8284 0.8069 0.6792 -0.0178 -0.0460 -0.0249 244 GLU A CA 1930 C C . GLU A 244 ? 0.8469 0.8326 0.6999 -0.0152 -0.0465 -0.0200 244 GLU A C 1931 O O . GLU A 244 ? 0.7988 0.7863 0.6587 -0.0128 -0.0435 -0.0166 244 GLU A O 1932 C CB . GLU A 244 ? 0.8836 0.8548 0.7286 -0.0148 -0.0408 -0.0263 244 GLU A CB 1933 C CG . GLU A 244 ? 0.9438 0.9130 0.7769 -0.0131 -0.0404 -0.0270 244 GLU A CG 1934 C CD . GLU A 244 ? 1.0483 1.0121 0.8769 -0.0097 -0.0346 -0.0279 244 GLU A CD 1935 O OE1 . GLU A 244 ? 0.9648 0.9296 0.7879 -0.0071 -0.0325 -0.0259 244 GLU A OE1 1936 O OE2 . GLU A 244 ? 1.0052 0.9639 0.8354 -0.0094 -0.0323 -0.0305 244 GLU A OE2 1937 N N . SER A 245 ? 0.8444 0.8339 0.6910 -0.0155 -0.0504 -0.0198 245 SER A N 1938 C CA . SER A 245 ? 0.8372 0.8327 0.6841 -0.0124 -0.0512 -0.0151 245 SER A CA 1939 C C . SER A 245 ? 0.8788 0.8759 0.7148 -0.0118 -0.0543 -0.0155 245 SER A C 1940 O O . SER A 245 ? 0.8692 0.8658 0.6996 -0.0150 -0.0576 -0.0194 245 SER A O 1941 C CB . SER A 245 ? 0.7884 0.7921 0.6455 -0.0130 -0.0543 -0.0126 245 SER A CB 1942 O OG . SER A 245 ? 0.7442 0.7535 0.5996 -0.0097 -0.0561 -0.0086 245 SER A OG 1943 N N . ASN A 246 ? 0.9772 0.9758 0.8097 -0.0080 -0.0531 -0.0114 246 ASN A N 1944 C CA . ASN A 246 ? 1.0062 1.0070 0.8284 -0.0067 -0.0562 -0.0110 246 ASN A CA 1945 C C . ASN A 246 ? 1.0287 1.0371 0.8532 -0.0038 -0.0591 -0.0063 246 ASN A C 1946 O O . ASN A 246 ? 1.1166 1.1260 0.9325 -0.0010 -0.0604 -0.0043 246 ASN A O 1947 C CB . ASN A 246 ? 1.0040 0.9978 0.8161 -0.0043 -0.0517 -0.0106 246 ASN A CB 1948 C CG . ASN A 246 ? 1.0391 1.0311 0.8532 -0.0007 -0.0471 -0.0057 246 ASN A CG 1949 O OD1 . ASN A 246 ? 1.0210 1.0155 0.8445 0.0000 -0.0465 -0.0029 246 ASN A OD1 1950 N ND2 . ASN A 246 ? 1.0481 1.0354 0.8529 0.0014 -0.0436 -0.0046 246 ASN A ND2 1951 N N . GLY A 247 ? 0.9473 0.9607 0.7829 -0.0039 -0.0602 -0.0046 247 GLY A N 1952 C CA . GLY A 247 ? 0.9111 0.9321 0.7494 -0.0006 -0.0632 -0.0004 247 GLY A CA 1953 C C . GLY A 247 ? 0.8916 0.9138 0.7410 0.0008 -0.0612 0.0026 247 GLY A C 1954 O O . GLY A 247 ? 0.8871 0.9033 0.7410 -0.0001 -0.0566 0.0023 247 GLY A O 1955 N N . ASN A 248 ? 0.8738 0.9044 0.7274 0.0033 -0.0647 0.0054 248 ASN A N 1956 C CA . ASN A 248 ? 0.9009 0.9335 0.7643 0.0053 -0.0634 0.0084 248 ASN A CA 1957 C C . ASN A 248 ? 0.8396 0.8741 0.7141 0.0010 -0.0632 0.0057 248 ASN A C 1958 O O . ASN A 248 ? 0.8420 0.8766 0.7246 0.0022 -0.0612 0.0078 248 ASN A O 1959 C CB . ASN A 248 ? 0.8935 0.9168 0.7545 0.0085 -0.0577 0.0121 248 ASN A CB 1960 C CG . ASN A 248 ? 0.9065 0.9271 0.7563 0.0130 -0.0576 0.0156 248 ASN A CG 1961 O OD1 . ASN A 248 ? 0.9509 0.9662 0.7916 0.0125 -0.0560 0.0146 248 ASN A OD1 1962 N ND2 . ASN A 248 ? 0.8512 0.8749 0.7011 0.0178 -0.0593 0.0197 248 ASN A ND2 1963 N N . LEU A 249 ? 0.6494 0.6850 0.5239 -0.0040 -0.0652 0.0010 249 LEU A N 1964 C CA . LEU A 249 ? 0.5839 0.6200 0.4675 -0.0084 -0.0649 -0.0016 249 LEU A CA 1965 C C . LEU A 249 ? 0.6337 0.6816 0.5251 -0.0101 -0.0697 -0.0018 249 LEU A C 1966 O O . LEU A 249 ? 0.7038 0.7589 0.5923 -0.0123 -0.0744 -0.0037 249 LEU A O 1967 C CB . LEU A 249 ? 0.6789 0.7088 0.5578 -0.0131 -0.0644 -0.0066 249 LEU A CB 1968 C CG . LEU A 249 ? 0.6945 0.7245 0.5809 -0.0181 -0.0648 -0.0099 249 LEU A CG 1969 C CD1 . LEU A 249 ? 0.5875 0.6139 0.4826 -0.0167 -0.0605 -0.0080 249 LEU A CD1 1970 C CD2 . LEU A 249 ? 0.6532 0.6756 0.5325 -0.0222 -0.0646 -0.0148 249 LEU A CD2 1971 N N . ILE A 250 ? 0.7018 0.7520 0.6031 -0.0093 -0.0683 0.0000 250 ILE A N 1972 C CA . ILE A 250 ? 0.6101 0.6705 0.5200 -0.0122 -0.0719 -0.0010 250 ILE A CA 1973 C C . ILE A 250 ? 0.6100 0.6653 0.5230 -0.0183 -0.0707 -0.0050 250 ILE A C 1974 O O . ILE A 250 ? 0.5860 0.6347 0.5036 -0.0182 -0.0666 -0.0047 250 ILE A O 1975 C CB . ILE A 250 ? 0.6027 0.6681 0.5214 -0.0083 -0.0711 0.0029 250 ILE A CB 1976 C CG1 . ILE A 250 ? 0.6021 0.6680 0.5159 -0.0013 -0.0709 0.0074 250 ILE A CG1 1977 C CG2 . ILE A 250 ? 0.5819 0.6604 0.5088 -0.0108 -0.0754 0.0020 250 ILE A CG2 1978 C CD1 . ILE A 250 ? 0.5627 0.6375 0.4706 0.0003 -0.0760 0.0076 250 ILE A CD1 1979 N N . ALA A 251 ? 0.6366 0.6944 0.5463 -0.0236 -0.0741 -0.0089 251 ALA A N 1980 C CA . ALA A 251 ? 0.6520 0.7016 0.5608 -0.0291 -0.0727 -0.0131 251 ALA A CA 1981 C C . ALA A 251 ? 0.6226 0.6760 0.5412 -0.0331 -0.0732 -0.0139 251 ALA A C 1982 O O . ALA A 251 ? 0.6163 0.6816 0.5414 -0.0335 -0.0763 -0.0126 251 ALA A O 1983 C CB . ALA A 251 ? 0.6221 0.6705 0.5213 -0.0334 -0.0759 -0.0171 251 ALA A CB 1984 N N . PRO A 252 ? 0.5946 0.6383 0.5141 -0.0357 -0.0701 -0.0161 252 PRO A N 1985 C CA . PRO A 252 ? 0.6018 0.6477 0.5287 -0.0405 -0.0708 -0.0175 252 PRO A CA 1986 C C . PRO A 252 ? 0.6629 0.7123 0.5861 -0.0476 -0.0751 -0.0213 252 PRO A C 1987 O O . PRO A 252 ? 0.7163 0.7573 0.6301 -0.0504 -0.0753 -0.0246 252 PRO A O 1988 C CB . PRO A 252 ? 0.5597 0.5926 0.4861 -0.0405 -0.0661 -0.0187 252 PRO A CB 1989 C CG . PRO A 252 ? 0.6267 0.6506 0.5429 -0.0380 -0.0642 -0.0198 252 PRO A CG 1990 C CD . PRO A 252 ? 0.5732 0.6039 0.4872 -0.0337 -0.0655 -0.0169 252 PRO A CD 1991 N N . TRP A 253 ? 0.5970 0.6589 0.5271 -0.0507 -0.0785 -0.0208 253 TRP A N 1992 C CA . TRP A 253 ? 0.5384 0.6058 0.4660 -0.0583 -0.0828 -0.0244 253 TRP A CA 1993 C C . TRP A 253 ? 0.5738 0.6379 0.5061 -0.0644 -0.0820 -0.0262 253 TRP A C 1994 O O . TRP A 253 ? 0.5687 0.6212 0.4943 -0.0693 -0.0812 -0.0298 253 TRP A O 1995 C CB . TRP A 253 ? 0.5862 0.6717 0.5178 -0.0577 -0.0875 -0.0227 253 TRP A CB 1996 C CG . TRP A 253 ? 0.6234 0.7174 0.5524 -0.0658 -0.0924 -0.0263 253 TRP A CG 1997 C CD1 . TRP A 253 ? 0.6262 0.7113 0.5475 -0.0734 -0.0932 -0.0309 253 TRP A CD1 1998 C CD2 . TRP A 253 ? 0.5765 0.6896 0.5101 -0.0670 -0.0973 -0.0255 253 TRP A CD2 1999 N NE1 . TRP A 253 ? 0.6585 0.7560 0.5794 -0.0801 -0.0982 -0.0332 253 TRP A NE1 2000 C CE2 . TRP A 253 ? 0.6319 0.7475 0.5607 -0.0762 -0.1009 -0.0300 253 TRP A CE2 2001 C CE3 . TRP A 253 ? 0.5778 0.7061 0.5187 -0.0610 -0.0989 -0.0216 253 TRP A CE3 2002 C CZ2 . TRP A 253 ? 0.5902 0.7245 0.5220 -0.0801 -0.1061 -0.0307 253 TRP A CZ2 2003 C CZ3 . TRP A 253 ? 0.5958 0.7427 0.5398 -0.0639 -0.1041 -0.0222 253 TRP A CZ3 2004 C CH2 . TRP A 253 ? 0.5664 0.7168 0.5062 -0.0736 -0.1076 -0.0267 253 TRP A CH2 2005 N N . TYR A 254 ? 0.5920 0.6656 0.5351 -0.0638 -0.0819 -0.0237 254 TYR A N 2006 C CA . TYR A 254 ? 0.6185 0.6893 0.5670 -0.0687 -0.0806 -0.0248 254 TYR A CA 2007 C C . TYR A 254 ? 0.5702 0.6328 0.5237 -0.0636 -0.0757 -0.0223 254 TYR A C 2008 O O . TYR A 254 ? 0.5145 0.5789 0.4710 -0.0564 -0.0739 -0.0190 254 TYR A O 2009 C CB . TYR A 254 ? 0.6209 0.7088 0.5782 -0.0724 -0.0839 -0.0240 254 TYR A CB 2010 C CG . TYR A 254 ? 0.6754 0.7710 0.6287 -0.0805 -0.0886 -0.0274 254 TYR A CG 2011 C CD1 . TYR A 254 ? 0.6648 0.7710 0.6148 -0.0793 -0.0924 -0.0274 254 TYR A CD1 2012 C CD2 . TYR A 254 ? 0.6897 0.7819 0.6419 -0.0897 -0.0891 -0.0306 254 TYR A CD2 2013 C CE1 . TYR A 254 ? 0.6241 0.7382 0.5704 -0.0872 -0.0969 -0.0307 254 TYR A CE1 2014 C CE2 . TYR A 254 ? 0.7167 0.8158 0.6648 -0.0981 -0.0934 -0.0339 254 TYR A CE2 2015 C CZ . TYR A 254 ? 0.7396 0.8502 0.6850 -0.0968 -0.0973 -0.0340 254 TYR A CZ 2016 O OH . TYR A 254 ? 0.7020 0.8203 0.6433 -0.1056 -0.1017 -0.0375 254 TYR A OH 2017 N N . ALA A 255 ? 0.5614 0.6147 0.5154 -0.0673 -0.0735 -0.0239 255 ALA A N 2018 C CA . ALA A 255 ? 0.4758 0.5222 0.4347 -0.0630 -0.0691 -0.0218 255 ALA A CA 2019 C C . ALA A 255 ? 0.4961 0.5430 0.4611 -0.0678 -0.0686 -0.0222 255 ALA A C 2020 O O . ALA A 255 ? 0.5029 0.5571 0.4693 -0.0742 -0.0716 -0.0237 255 ALA A O 2021 C CB . ALA A 255 ? 0.4618 0.4924 0.4127 -0.0605 -0.0658 -0.0233 255 ALA A CB 2022 N N . TYR A 256 ? 0.4863 0.5260 0.4550 -0.0648 -0.0648 -0.0209 256 TYR A N 2023 C CA . TYR A 256 ? 0.4605 0.5007 0.4352 -0.0686 -0.0640 -0.0208 256 TYR A CA 2024 C C . TYR A 256 ? 0.4329 0.4574 0.4034 -0.0690 -0.0607 -0.0222 256 TYR A C 2025 O O . TYR A 256 ? 0.4798 0.4977 0.4502 -0.0632 -0.0575 -0.0210 256 TYR A O 2026 C CB . TYR A 256 ? 0.4220 0.4725 0.4077 -0.0642 -0.0630 -0.0170 256 TYR A CB 2027 C CG . TYR A 256 ? 0.3704 0.4373 0.3610 -0.0635 -0.0663 -0.0154 256 TYR A CG 2028 C CD1 . TYR A 256 ? 0.4063 0.4848 0.4016 -0.0692 -0.0691 -0.0161 256 TYR A CD1 2029 C CD2 . TYR A 256 ? 0.3925 0.4637 0.3830 -0.0569 -0.0664 -0.0132 256 TYR A CD2 2030 C CE1 . TYR A 256 ? 0.3859 0.4809 0.3859 -0.0678 -0.0722 -0.0146 256 TYR A CE1 2031 C CE2 . TYR A 256 ? 0.4522 0.5383 0.4466 -0.0553 -0.0695 -0.0115 256 TYR A CE2 2032 C CZ . TYR A 256 ? 0.4418 0.5402 0.4412 -0.0604 -0.0724 -0.0123 256 TYR A CZ 2033 O OH . TYR A 256 ? 0.5253 0.6397 0.5287 -0.0581 -0.0755 -0.0106 256 TYR A OH 2034 N N . LYS A 257 ? 0.5006 0.5194 0.4675 -0.0759 -0.0615 -0.0247 257 LYS A N 2035 C CA . LYS A 257 ? 0.5674 0.5724 0.5314 -0.0761 -0.0585 -0.0255 257 LYS A CA 2036 C C . LYS A 257 ? 0.4975 0.5083 0.4721 -0.0743 -0.0567 -0.0226 257 LYS A C 2037 O O . LYS A 257 ? 0.4995 0.5213 0.4807 -0.0780 -0.0585 -0.0217 257 LYS A O 2038 C CB . LYS A 257 ? 0.6102 0.6056 0.5655 -0.0841 -0.0598 -0.0290 257 LYS A CB 2039 C CG . LYS A 257 ? 0.6419 0.6268 0.5849 -0.0845 -0.0605 -0.0322 257 LYS A CG 2040 C CD . LYS A 257 ? 0.7270 0.7022 0.6603 -0.0932 -0.0622 -0.0359 257 LYS A CD 2041 C CE . LYS A 257 ? 0.8077 0.7728 0.7283 -0.0933 -0.0629 -0.0391 257 LYS A CE 2042 N NZ . LYS A 257 ? 0.9074 0.8636 0.8177 -0.1026 -0.0650 -0.0429 257 LYS A NZ 2043 N N . PHE A 258 ? 0.5309 0.5350 0.5070 -0.0686 -0.0532 -0.0213 258 PHE A N 2044 C CA . PHE A 258 ? 0.5513 0.5618 0.5374 -0.0654 -0.0514 -0.0182 258 PHE A CA 2045 C C . PHE A 258 ? 0.4987 0.4998 0.4847 -0.0666 -0.0491 -0.0185 258 PHE A C 2046 O O . PHE A 258 ? 0.6055 0.5941 0.5849 -0.0646 -0.0471 -0.0199 258 PHE A O 2047 C CB . PHE A 258 ? 0.5157 0.5280 0.5046 -0.0576 -0.0493 -0.0161 258 PHE A CB 2048 C CG . PHE A 258 ? 0.5113 0.5315 0.5102 -0.0543 -0.0478 -0.0129 258 PHE A CG 2049 C CD1 . PHE A 258 ? 0.5044 0.5192 0.5062 -0.0519 -0.0447 -0.0121 258 PHE A CD1 2050 C CD2 . PHE A 258 ? 0.4915 0.5245 0.4965 -0.0531 -0.0495 -0.0108 258 PHE A CD2 2051 C CE1 . PHE A 258 ? 0.5285 0.5500 0.5389 -0.0491 -0.0434 -0.0094 258 PHE A CE1 2052 C CE2 . PHE A 258 ? 0.4803 0.5194 0.4936 -0.0497 -0.0480 -0.0081 258 PHE A CE2 2053 C CZ . PHE A 258 ? 0.4766 0.5098 0.4926 -0.0480 -0.0450 -0.0074 258 PHE A CZ 2054 N N . VAL A 259 ? 0.4139 0.4214 0.4067 -0.0696 -0.0494 -0.0173 259 VAL A N 2055 C CA . VAL A 259 ? 0.5020 0.5015 0.4951 -0.0705 -0.0472 -0.0171 259 VAL A CA 2056 C C . VAL A 259 ? 0.5178 0.5229 0.5202 -0.0650 -0.0448 -0.0141 259 VAL A C 2057 O O . VAL A 259 ? 0.4485 0.4657 0.4592 -0.0652 -0.0456 -0.0122 259 VAL A O 2058 C CB . VAL A 259 ? 0.4913 0.4923 0.4846 -0.0786 -0.0487 -0.0179 259 VAL A CB 2059 C CG1 . VAL A 259 ? 0.4856 0.4755 0.4768 -0.0793 -0.0463 -0.0179 259 VAL A CG1 2060 C CG2 . VAL A 259 ? 0.5178 0.5150 0.5023 -0.0850 -0.0514 -0.0209 259 VAL A CG2 2061 N N . SER A 260 ? 0.7011 0.6978 0.7018 -0.0600 -0.0420 -0.0138 260 SER A N 2062 C CA . SER A 260 ? 0.7218 0.7226 0.7302 -0.0551 -0.0397 -0.0113 260 SER A CA 2063 C C . SER A 260 ? 0.8090 0.8102 0.8217 -0.0577 -0.0390 -0.0105 260 SER A C 2064 O O . SER A 260 ? 0.8366 0.8295 0.8441 -0.0618 -0.0391 -0.0119 260 SER A O 2065 C CB . SER A 260 ? 0.7079 0.7007 0.7131 -0.0494 -0.0369 -0.0116 260 SER A CB 2066 O OG . SER A 260 ? 0.8159 0.8127 0.8283 -0.0455 -0.0347 -0.0094 260 SER A OG 2067 N N . THR A 261 ? 0.8033 0.8133 0.8248 -0.0554 -0.0381 -0.0081 261 THR A N 2068 C CA . THR A 261 ? 0.9078 0.9197 0.9339 -0.0578 -0.0375 -0.0071 261 THR A CA 2069 C C . THR A 261 ? 1.0360 1.0396 1.0614 -0.0546 -0.0347 -0.0067 261 THR A C 2070 O O . THR A 261 ? 0.9861 0.9872 1.0113 -0.0493 -0.0330 -0.0063 261 THR A O 2071 C CB . THR A 261 ? 0.8387 0.8644 0.8744 -0.0568 -0.0379 -0.0048 261 THR A CB 2072 O OG1 . THR A 261 ? 0.9645 0.9936 1.0036 -0.0611 -0.0381 -0.0044 261 THR A OG1 2073 C CG2 . THR A 261 ? 0.8998 0.9269 0.9402 -0.0504 -0.0355 -0.0030 261 THR A CG2 2074 N N . ASN A 262 ? 1.3932 1.3927 1.4177 -0.0581 -0.0344 -0.0067 262 ASN A N 2075 C CA . ASN A 262 ? 1.5271 1.5199 1.5513 -0.0553 -0.0321 -0.0061 262 ASN A CA 2076 C C . ASN A 262 ? 1.5081 1.5101 1.5417 -0.0528 -0.0309 -0.0038 262 ASN A C 2077 O O . ASN A 262 ? 1.4956 1.4956 1.5310 -0.0485 -0.0289 -0.0030 262 ASN A O 2078 C CB . ASN A 262 ? 1.5940 1.5774 1.6122 -0.0601 -0.0322 -0.0070 262 ASN A CB 2079 C CG . ASN A 262 ? 1.7312 1.7030 1.7443 -0.0563 -0.0302 -0.0072 262 ASN A CG 2080 O OD1 . ASN A 262 ? 1.8152 1.7888 1.8328 -0.0535 -0.0286 -0.0057 262 ASN A OD1 2081 N ND2 . ASN A 262 ? 1.8090 1.7689 1.8123 -0.0559 -0.0302 -0.0092 262 ASN A ND2 2082 N N . LYS A 263 ? 1.2877 1.3005 1.3272 -0.0554 -0.0322 -0.0029 263 LYS A N 2083 C CA . LYS A 263 ? 1.1858 1.2076 1.2337 -0.0532 -0.0312 -0.0008 263 LYS A CA 2084 C C . LYS A 263 ? 1.1263 1.1527 1.1776 -0.0477 -0.0305 0.0001 263 LYS A C 2085 O O . LYS A 263 ? 1.0860 1.1068 1.1338 -0.0444 -0.0296 -0.0005 263 LYS A O 2086 C CB . LYS A 263 ? 1.1151 1.1473 1.1677 -0.0576 -0.0328 -0.0002 263 LYS A CB 2087 C CG . LYS A 263 ? 1.1885 1.2171 1.2364 -0.0646 -0.0342 -0.0016 263 LYS A CG 2088 C CD . LYS A 263 ? 1.2916 1.3128 1.3376 -0.0665 -0.0326 -0.0013 263 LYS A CD 2089 C CE . LYS A 263 ? 1.2804 1.2975 1.3211 -0.0743 -0.0337 -0.0025 263 LYS A CE 2090 N NZ . LYS A 263 ? 1.2762 1.2857 1.3144 -0.0762 -0.0321 -0.0019 263 LYS A NZ 2091 N N . LYS A 264 ? 1.2150 1.2516 1.2728 -0.0467 -0.0308 0.0016 264 LYS A N 2092 C CA . LYS A 264 ? 1.1289 1.1688 1.1896 -0.0416 -0.0297 0.0029 264 LYS A CA 2093 C C . LYS A 264 ? 1.0566 1.1016 1.1166 -0.0406 -0.0315 0.0030 264 LYS A C 2094 O O . LYS A 264 ? 1.1335 1.1750 1.1903 -0.0377 -0.0309 0.0029 264 LYS A O 2095 C CB . LYS A 264 ? 1.0014 1.0477 1.0687 -0.0401 -0.0286 0.0046 264 LYS A CB 2096 C CG . LYS A 264 ? 0.9421 0.9909 1.0119 -0.0353 -0.0273 0.0059 264 LYS A CG 2097 C CD . LYS A 264 ? 0.8871 0.9415 0.9625 -0.0342 -0.0264 0.0073 264 LYS A CD 2098 C CE . LYS A 264 ? 0.8422 0.8985 0.9192 -0.0297 -0.0252 0.0087 264 LYS A CE 2099 N NZ . LYS A 264 ? 0.7633 0.8237 0.8451 -0.0287 -0.0241 0.0097 264 LYS A NZ 2100 N N . GLY A 265 ? 0.7884 0.8421 0.8511 -0.0428 -0.0335 0.0033 265 GLY A N 2101 C CA . GLY A 265 ? 0.7228 0.7825 0.7848 -0.0415 -0.0354 0.0036 265 GLY A CA 2102 C C . GLY A 265 ? 0.6374 0.7040 0.7039 -0.0368 -0.0349 0.0057 265 GLY A C 2103 O O . GLY A 265 ? 0.7438 0.8066 0.8110 -0.0330 -0.0326 0.0067 265 GLY A O 2104 N N . ALA A 266 ? 0.5042 0.5812 0.5735 -0.0369 -0.0370 0.0064 266 ALA A N 2105 C CA . ALA A 266 ? 0.4379 0.5212 0.5106 -0.0317 -0.0366 0.0084 266 ALA A CA 2106 C C . ALA A 266 ? 0.4309 0.5220 0.5025 -0.0301 -0.0393 0.0089 266 ALA A C 2107 O O . ALA A 266 ? 0.3781 0.4745 0.4490 -0.0340 -0.0418 0.0076 266 ALA A O 2108 C CB . ALA A 266 ? 0.3832 0.4734 0.4620 -0.0320 -0.0359 0.0092 266 ALA A CB 2109 N N . VAL A 267 ? 0.4859 0.5773 0.5567 -0.0243 -0.0387 0.0106 267 VAL A N 2110 C CA . VAL A 267 ? 0.3723 0.4717 0.4422 -0.0212 -0.0411 0.0116 267 VAL A CA 2111 C C . VAL A 267 ? 0.4275 0.5325 0.5010 -0.0157 -0.0402 0.0138 267 VAL A C 2112 O O . VAL A 267 ? 0.5182 0.6162 0.5894 -0.0111 -0.0381 0.0152 267 VAL A O 2113 C CB . VAL A 267 ? 0.3949 0.4875 0.4580 -0.0187 -0.0413 0.0119 267 VAL A CB 2114 C CG1 . VAL A 267 ? 0.3619 0.4627 0.4239 -0.0144 -0.0436 0.0133 267 VAL A CG1 2115 C CG2 . VAL A 267 ? 0.3947 0.4822 0.4536 -0.0236 -0.0422 0.0096 267 VAL A CG2 2116 N N . PHE A 268 ? 0.4042 0.5214 0.4829 -0.0162 -0.0418 0.0139 268 PHE A N 2117 C CA . PHE A 268 ? 0.3823 0.5054 0.4647 -0.0108 -0.0409 0.0157 268 PHE A CA 2118 C C . PHE A 268 ? 0.4434 0.5739 0.5240 -0.0049 -0.0429 0.0173 268 PHE A C 2119 O O . PHE A 268 ? 0.4756 0.6170 0.5573 -0.0064 -0.0460 0.0167 268 PHE A O 2120 C CB . PHE A 268 ? 0.3549 0.4883 0.4441 -0.0140 -0.0411 0.0151 268 PHE A CB 2121 C CG . PHE A 268 ? 0.3881 0.5141 0.4789 -0.0185 -0.0387 0.0141 268 PHE A CG 2122 C CD1 . PHE A 268 ? 0.3937 0.5071 0.4819 -0.0166 -0.0358 0.0145 268 PHE A CD1 2123 C CD2 . PHE A 268 ? 0.3926 0.5246 0.4872 -0.0247 -0.0393 0.0129 268 PHE A CD2 2124 C CE1 . PHE A 268 ? 0.3658 0.4733 0.4554 -0.0202 -0.0339 0.0137 268 PHE A CE1 2125 C CE2 . PHE A 268 ? 0.3755 0.5002 0.4708 -0.0283 -0.0372 0.0121 268 PHE A CE2 2126 C CZ . PHE A 268 ? 0.3404 0.4531 0.4333 -0.0258 -0.0346 0.0126 268 PHE A CZ 2127 N N . LYS A 269 ? 0.5457 0.6698 0.6228 0.0017 -0.0412 0.0192 269 LYS A N 2128 C CA . LYS A 269 ? 0.4868 0.6173 0.5619 0.0086 -0.0429 0.0211 269 LYS A CA 2129 C C . LYS A 269 ? 0.5096 0.6498 0.5900 0.0127 -0.0425 0.0221 269 LYS A C 2130 O O . LYS A 269 ? 0.4961 0.6295 0.5760 0.0163 -0.0397 0.0231 269 LYS A O 2131 C CB . LYS A 269 ? 0.4798 0.5972 0.5471 0.0137 -0.0412 0.0228 269 LYS A CB 2132 C CG . LYS A 269 ? 0.6323 0.7428 0.6938 0.0110 -0.0421 0.0221 269 LYS A CG 2133 C CD . LYS A 269 ? 0.6735 0.7701 0.7272 0.0149 -0.0397 0.0237 269 LYS A CD 2134 C CE . LYS A 269 ? 0.8059 0.8907 0.8594 0.0115 -0.0361 0.0229 269 LYS A CE 2135 N NZ . LYS A 269 ? 0.7054 0.7772 0.7511 0.0137 -0.0338 0.0242 269 LYS A NZ 2136 N N . SER A 270 ? 0.4851 0.6416 0.5704 0.0120 -0.0453 0.0217 270 SER A N 2137 C CA . SER A 270 ? 0.4202 0.5885 0.5116 0.0150 -0.0449 0.0222 270 SER A CA 2138 C C . SER A 270 ? 0.4650 0.6525 0.5600 0.0166 -0.0485 0.0223 270 SER A C 2139 O O . SER A 270 ? 0.4779 0.6707 0.5722 0.0125 -0.0514 0.0212 270 SER A O 2140 C CB . SER A 270 ? 0.4261 0.5949 0.5231 0.0081 -0.0433 0.0206 270 SER A CB 2141 O OG . SER A 270 ? 0.4231 0.6057 0.5266 0.0099 -0.0432 0.0209 270 SER A OG 2142 N N . ASP A 271 ? 0.6183 0.8163 0.7171 0.0224 -0.0482 0.0234 271 ASP A N 2143 C CA . ASP A 271 ? 0.6694 0.8883 0.7730 0.0253 -0.0512 0.0237 271 ASP A CA 2144 C C . ASP A 271 ? 0.6633 0.8969 0.7757 0.0194 -0.0513 0.0222 271 ASP A C 2145 O O . ASP A 271 ? 0.6825 0.9351 0.7998 0.0207 -0.0534 0.0222 271 ASP A O 2146 C CB . ASP A 271 ? 0.6492 0.8702 0.7510 0.0367 -0.0503 0.0260 271 ASP A CB 2147 C CG . ASP A 271 ? 0.8773 1.0960 0.9722 0.0436 -0.0523 0.0277 271 ASP A CG 2148 O OD1 . ASP A 271 ? 0.8794 1.0881 0.9683 0.0522 -0.0506 0.0298 271 ASP A OD1 2149 O OD2 . ASP A 271 ? 1.0265 1.2528 1.1212 0.0405 -0.0556 0.0270 271 ASP A OD2 2150 N N . LEU A 272 ? 0.4566 0.6816 0.5707 0.0132 -0.0487 0.0211 272 LEU A N 2151 C CA . LEU A 272 ? 0.4720 0.7086 0.5937 0.0078 -0.0481 0.0200 272 LEU A CA 2152 C C . LEU A 272 ? 0.4780 0.7285 0.6033 -0.0007 -0.0512 0.0182 272 LEU A C 2153 O O . LEU A 272 ? 0.4295 0.6741 0.5508 -0.0055 -0.0530 0.0171 272 LEU A O 2154 C CB . LEU A 272 ? 0.3940 0.6161 0.5153 0.0029 -0.0447 0.0192 272 LEU A CB 2155 C CG . LEU A 272 ? 0.4065 0.6182 0.5261 0.0096 -0.0412 0.0206 272 LEU A CG 2156 C CD1 . LEU A 272 ? 0.3889 0.5876 0.5083 0.0036 -0.0384 0.0196 272 LEU A CD1 2157 C CD2 . LEU A 272 ? 0.4142 0.6404 0.5389 0.0156 -0.0406 0.0215 272 LEU A CD2 2158 N N . PRO A 273 ? 0.4136 0.6828 0.5462 -0.0028 -0.0517 0.0177 273 PRO A N 2159 C CA . PRO A 273 ? 0.3557 0.6392 0.4919 -0.0118 -0.0546 0.0158 273 PRO A CA 2160 C C . PRO A 273 ? 0.3549 0.6272 0.4896 -0.0231 -0.0537 0.0139 273 PRO A C 2161 O O . PRO A 273 ? 0.4087 0.6706 0.5435 -0.0246 -0.0505 0.0140 273 PRO A O 2162 C CB . PRO A 273 ? 0.4011 0.7064 0.5455 -0.0108 -0.0545 0.0160 273 PRO A CB 2163 C CG . PRO A 273 ? 0.3467 0.6440 0.4919 -0.0051 -0.0506 0.0173 273 PRO A CG 2164 C CD . PRO A 273 ? 0.4046 0.6830 0.5422 0.0028 -0.0496 0.0188 273 PRO A CD 2165 N N . ILE A 274 ? 0.4701 0.7440 0.6025 -0.0305 -0.0564 0.0122 274 ILE A N 2166 C CA . ILE A 274 ? 0.4617 0.7274 0.5924 -0.0417 -0.0560 0.0102 274 ILE A CA 2167 C C . ILE A 274 ? 0.5253 0.8099 0.6623 -0.0494 -0.0570 0.0090 274 ILE A C 2168 O O . ILE A 274 ? 0.5963 0.8996 0.7366 -0.0496 -0.0599 0.0086 274 ILE A O 2169 C CB . ILE A 274 ? 0.4264 0.6821 0.5500 -0.0461 -0.0583 0.0087 274 ILE A CB 2170 C CG1 . ILE A 274 ? 0.4582 0.6964 0.5756 -0.0386 -0.0572 0.0099 274 ILE A CG1 2171 C CG2 . ILE A 274 ? 0.3671 0.6134 0.4880 -0.0574 -0.0577 0.0065 274 ILE A CG2 2172 C CD1 . ILE A 274 ? 0.4232 0.6497 0.5333 -0.0426 -0.0588 0.0084 274 ILE A CD1 2173 N N . GLU A 275 ? 0.4423 0.7227 0.5810 -0.0557 -0.0544 0.0085 275 GLU A N 2174 C CA . GLU A 275 ? 0.4598 0.7581 0.6045 -0.0630 -0.0548 0.0076 275 GLU A CA 2175 C C . GLU A 275 ? 0.5407 0.8295 0.6818 -0.0755 -0.0543 0.0057 275 GLU A C 2176 O O . GLU A 275 ? 0.5358 0.8045 0.6697 -0.0777 -0.0538 0.0050 275 GLU A O 2177 C CB . GLU A 275 ? 0.4728 0.7796 0.6238 -0.0578 -0.0519 0.0091 275 GLU A CB 2178 C CG . GLU A 275 ? 0.5003 0.8192 0.6548 -0.0456 -0.0527 0.0109 275 GLU A CG 2179 C CD . GLU A 275 ? 0.6005 0.9280 0.7608 -0.0403 -0.0498 0.0122 275 GLU A CD 2180 O OE1 . GLU A 275 ? 0.6132 0.9402 0.7757 -0.0468 -0.0475 0.0117 275 GLU A OE1 2181 O OE2 . GLU A 275 ? 0.5977 0.9321 0.7596 -0.0293 -0.0498 0.0138 275 GLU A OE2 2182 N N . ASN A 276 ? 0.5945 0.8979 0.7401 -0.0836 -0.0543 0.0048 276 ASN A N 2183 C CA . ASN A 276 ? 0.6121 0.9072 0.7536 -0.0961 -0.0538 0.0030 276 ASN A CA 2184 C C . ASN A 276 ? 0.6642 0.9501 0.8061 -0.0979 -0.0499 0.0039 276 ASN A C 2185 O O . ASN A 276 ? 0.7270 1.0262 0.8742 -0.1023 -0.0487 0.0040 276 ASN A O 2186 C CB . ASN A 276 ? 0.6453 0.9607 0.7902 -0.1057 -0.0563 0.0013 276 ASN A CB 2187 C CG . ASN A 276 ? 0.7395 1.0439 0.8780 -0.1192 -0.0563 -0.0008 276 ASN A CG 2188 O OD1 . ASN A 276 ? 0.6879 0.9698 0.8179 -0.1207 -0.0558 -0.0014 276 ASN A OD1 2189 N ND2 . ASN A 276 ? 0.7417 1.0617 0.8837 -0.1291 -0.0566 -0.0018 276 ASN A ND2 2190 N N . CYS A 277 ? 0.6736 0.9374 0.8100 -0.0943 -0.0479 0.0045 277 CYS A N 2191 C CA . CYS A 277 ? 0.5972 0.8508 0.7333 -0.0947 -0.0442 0.0055 277 CYS A CA 2192 C C . CYS A 277 ? 0.5954 0.8235 0.7231 -0.0955 -0.0431 0.0051 277 CYS A C 2193 O O . CYS A 277 ? 0.6278 0.8464 0.7504 -0.0937 -0.0448 0.0044 277 CYS A O 2194 C CB . CYS A 277 ? 0.6508 0.9110 0.7929 -0.0841 -0.0423 0.0075 277 CYS A CB 2195 S SG . CYS A 277 ? 0.8748 1.1272 1.0150 -0.0712 -0.0431 0.0086 277 CYS A SG 2196 N N . ASP A 278 ? 0.6612 0.8790 0.7872 -0.0979 -0.0401 0.0057 278 ASP A N 2197 C CA . ASP A 278 ? 0.5845 0.7792 0.7029 -0.0976 -0.0388 0.0055 278 ASP A CA 2198 C C . ASP A 278 ? 0.5012 0.6889 0.6212 -0.0884 -0.0363 0.0072 278 ASP A C 2199 O O . ASP A 278 ? 0.4529 0.6517 0.5792 -0.0841 -0.0349 0.0085 278 ASP A O 2200 C CB . ASP A 278 ? 0.5323 0.7176 0.6455 -0.1075 -0.0376 0.0048 278 ASP A CB 2201 C CG . ASP A 278 ? 0.6965 0.8706 0.8013 -0.1142 -0.0395 0.0028 278 ASP A CG 2202 O OD1 . ASP A 278 ? 0.7525 0.9230 0.8551 -0.1101 -0.0414 0.0021 278 ASP A OD1 2203 O OD2 . ASP A 278 ? 0.8545 1.0227 0.9544 -0.1236 -0.0390 0.0019 278 ASP A OD2 2204 N N . ALA A 279 ? 0.4223 0.5917 0.5364 -0.0855 -0.0356 0.0071 279 ALA A N 2205 C CA . ALA A 279 ? 0.3967 0.5580 0.5115 -0.0780 -0.0332 0.0085 279 ALA A CA 2206 C C . ALA A 279 ? 0.3910 0.5321 0.4984 -0.0784 -0.0323 0.0080 279 ALA A C 2207 O O . ALA A 279 ? 0.3930 0.5261 0.4946 -0.0818 -0.0338 0.0067 279 ALA A O 2208 C CB . ALA A 279 ? 0.4219 0.5889 0.5399 -0.0688 -0.0339 0.0093 279 ALA A CB 2209 N N . THR A 280 ? 0.4183 0.5515 0.5256 -0.0747 -0.0298 0.0090 280 THR A N 2210 C CA . THR A 280 ? 0.4312 0.5468 0.5322 -0.0734 -0.0289 0.0086 280 THR A CA 2211 C C . THR A 280 ? 0.3904 0.5028 0.4923 -0.0650 -0.0285 0.0092 280 THR A C 2212 O O . THR A 280 ? 0.4233 0.5236 0.5204 -0.0630 -0.0283 0.0087 280 THR A O 2213 C CB . THR A 280 ? 0.4733 0.5811 0.5724 -0.0756 -0.0266 0.0092 280 THR A CB 2214 O OG1 . THR A 280 ? 0.5883 0.7060 0.6937 -0.0730 -0.0250 0.0105 280 THR A OG1 2215 C CG2 . THR A 280 ? 0.3292 0.4341 0.4240 -0.0846 -0.0270 0.0085 280 THR A CG2 2216 N N . CYS A 281 ? 0.4254 0.5486 0.5331 -0.0600 -0.0282 0.0102 281 CYS A N 2217 C CA . CYS A 281 ? 0.4195 0.5397 0.5277 -0.0522 -0.0275 0.0109 281 CYS A CA 2218 C C . CYS A 281 ? 0.4182 0.5498 0.5298 -0.0480 -0.0289 0.0115 281 CYS A C 2219 O O . CYS A 281 ? 0.4272 0.5713 0.5439 -0.0468 -0.0288 0.0121 281 CYS A O 2220 C CB . CYS A 281 ? 0.4012 0.5192 0.5115 -0.0489 -0.0248 0.0119 281 CYS A CB 2221 S SG . CYS A 281 ? 0.5210 0.6370 0.6322 -0.0399 -0.0236 0.0128 281 CYS A SG 2222 N N . GLN A 282 ? 0.3684 0.4959 0.4769 -0.0452 -0.0302 0.0112 282 GLN A N 2223 C CA . GLN A 282 ? 0.3144 0.4513 0.4248 -0.0407 -0.0318 0.0118 282 GLN A CA 2224 C C . GLN A 282 ? 0.3405 0.4698 0.4484 -0.0336 -0.0309 0.0127 282 GLN A C 2225 O O . GLN A 282 ? 0.3050 0.4238 0.4081 -0.0338 -0.0310 0.0121 282 GLN A O 2226 C CB . GLN A 282 ? 0.3181 0.4593 0.4266 -0.0447 -0.0348 0.0107 282 GLN A CB 2227 C CG . GLN A 282 ? 0.3008 0.4517 0.4105 -0.0398 -0.0368 0.0114 282 GLN A CG 2228 C CD . GLN A 282 ? 0.3426 0.5108 0.4586 -0.0388 -0.0374 0.0121 282 GLN A CD 2229 O OE1 . GLN A 282 ? 0.4022 0.5797 0.5208 -0.0451 -0.0385 0.0112 282 GLN A OE1 2230 N NE2 . GLN A 282 ? 0.3024 0.4750 0.4205 -0.0310 -0.0366 0.0136 282 GLN A NE2 2231 N N . THR A 283 ? 0.2501 0.3840 0.3606 -0.0277 -0.0298 0.0139 283 THR A N 2232 C CA . THR A 283 ? 0.2868 0.4135 0.3942 -0.0212 -0.0288 0.0149 283 THR A CA 2233 C C . THR A 283 ? 0.3425 0.4766 0.4493 -0.0170 -0.0309 0.0156 283 THR A C 2234 O O . THR A 283 ? 0.3330 0.4798 0.4430 -0.0184 -0.0329 0.0155 283 THR A O 2235 C CB . THR A 283 ? 0.2841 0.4085 0.3928 -0.0166 -0.0261 0.0158 283 THR A CB 2236 O OG1 . THR A 283 ? 0.3066 0.4425 0.4187 -0.0122 -0.0265 0.0168 283 THR A OG1 2237 C CG2 . THR A 283 ? 0.2256 0.3468 0.3361 -0.0206 -0.0243 0.0152 283 THR A CG2 2238 N N . ILE A 284 ? 0.3515 0.4779 0.4540 -0.0119 -0.0304 0.0165 284 ILE A N 2239 C CA . ILE A 284 ? 0.3552 0.4869 0.4560 -0.0075 -0.0324 0.0174 284 ILE A CA 2240 C C . ILE A 284 ? 0.3826 0.5266 0.4871 -0.0023 -0.0327 0.0185 284 ILE A C 2241 O O . ILE A 284 ? 0.3874 0.5410 0.4923 0.0006 -0.0350 0.0191 284 ILE A O 2242 C CB . ILE A 284 ? 0.3790 0.4984 0.4734 -0.0031 -0.0313 0.0182 284 ILE A CB 2243 C CG1 . ILE A 284 ? 0.3864 0.5101 0.4777 0.0005 -0.0337 0.0191 284 ILE A CG1 2244 C CG2 . ILE A 284 ? 0.3191 0.4325 0.4125 0.0019 -0.0285 0.0194 284 ILE A CG2 2245 C CD1 . ILE A 284 ? 0.3955 0.5067 0.4798 0.0032 -0.0329 0.0198 284 ILE A CD1 2246 N N . THR A 285 ? 0.4015 0.5458 0.5088 -0.0007 -0.0304 0.0189 285 THR A N 2247 C CA . THR A 285 ? 0.4100 0.5657 0.5206 0.0049 -0.0303 0.0199 285 THR A CA 2248 C C . THR A 285 ? 0.3665 0.5358 0.4840 0.0008 -0.0306 0.0192 285 THR A C 2249 O O . THR A 285 ? 0.4065 0.5858 0.5274 0.0052 -0.0300 0.0199 285 THR A O 2250 C CB . THR A 285 ? 0.3854 0.5323 0.4932 0.0112 -0.0274 0.0209 285 THR A CB 2251 O OG1 . THR A 285 ? 0.4893 0.6282 0.5979 0.0071 -0.0250 0.0201 285 THR A OG1 2252 C CG2 . THR A 285 ? 0.4127 0.5473 0.5132 0.0157 -0.0271 0.0219 285 THR A CG2 2253 N N . GLY A 286 ? 0.2853 0.4551 0.4044 -0.0075 -0.0313 0.0178 286 GLY A N 2254 C CA . GLY A 286 ? 0.3224 0.5047 0.4474 -0.0124 -0.0315 0.0172 286 GLY A CA 2255 C C . GLY A 286 ? 0.3653 0.5405 0.4902 -0.0206 -0.0305 0.0160 286 GLY A C 2256 O O . GLY A 286 ? 0.2979 0.4585 0.4185 -0.0219 -0.0294 0.0156 286 GLY A O 2257 N N . VAL A 287 ? 0.3527 0.5387 0.4820 -0.0261 -0.0307 0.0154 287 VAL A N 2258 C CA . VAL A 287 ? 0.3245 0.5046 0.4533 -0.0340 -0.0298 0.0145 287 VAL A CA 2259 C C . VAL A 287 ? 0.4083 0.5843 0.5383 -0.0326 -0.0267 0.0150 287 VAL A C 2260 O O . VAL A 287 ? 0.4224 0.6076 0.5562 -0.0283 -0.0256 0.0158 287 VAL A O 2261 C CB . VAL A 287 ? 0.3737 0.5668 0.5058 -0.0416 -0.0314 0.0136 287 VAL A CB 2262 C CG1 . VAL A 287 ? 0.3479 0.5330 0.4781 -0.0497 -0.0302 0.0128 287 VAL A CG1 2263 C CG2 . VAL A 287 ? 0.4209 0.6184 0.5514 -0.0435 -0.0346 0.0129 287 VAL A CG2 2264 N N . LEU A 288 ? 0.3832 0.5457 0.5098 -0.0359 -0.0253 0.0145 288 LEU A N 2265 C CA . LEU A 288 ? 0.4493 0.6086 0.5771 -0.0360 -0.0226 0.0149 288 LEU A CA 2266 C C . LEU A 288 ? 0.4182 0.5790 0.5465 -0.0443 -0.0224 0.0144 288 LEU A C 2267 O O . LEU A 288 ? 0.4563 0.6092 0.5807 -0.0496 -0.0233 0.0136 288 LEU A O 2268 C CB . LEU A 288 ? 0.4853 0.6288 0.6088 -0.0333 -0.0210 0.0149 288 LEU A CB 2269 C CG . LEU A 288 ? 0.4085 0.5470 0.5299 -0.0261 -0.0208 0.0154 288 LEU A CG 2270 C CD1 . LEU A 288 ? 0.3256 0.4506 0.4436 -0.0249 -0.0189 0.0153 288 LEU A CD1 2271 C CD2 . LEU A 288 ? 0.4242 0.5727 0.5487 -0.0200 -0.0203 0.0163 288 LEU A CD2 2272 N N . ARG A 289 ? 0.4220 0.5925 0.5543 -0.0452 -0.0210 0.0148 289 ARG A N 2273 C CA . ARG A 289 ? 0.4642 0.6348 0.5962 -0.0529 -0.0202 0.0146 289 ARG A CA 2274 C C . ARG A 289 ? 0.4154 0.5800 0.5470 -0.0513 -0.0173 0.0152 289 ARG A C 2275 O O . ARG A 289 ? 0.4421 0.6163 0.5777 -0.0493 -0.0158 0.0157 289 ARG A O 2276 C CB . ARG A 289 ? 0.4801 0.6685 0.6171 -0.0570 -0.0209 0.0145 289 ARG A CB 2277 C CG . ARG A 289 ? 0.5195 0.7083 0.6543 -0.0659 -0.0229 0.0135 289 ARG A CG 2278 C CD . ARG A 289 ? 0.4853 0.6939 0.6255 -0.0698 -0.0239 0.0133 289 ARG A CD 2279 N NE . ARG A 289 ? 0.5234 0.7409 0.6654 -0.0667 -0.0267 0.0129 289 ARG A NE 2280 C CZ . ARG A 289 ? 0.4763 0.6906 0.6149 -0.0711 -0.0292 0.0118 289 ARG A CZ 2281 N NH1 . ARG A 289 ? 0.3381 0.5398 0.4710 -0.0786 -0.0292 0.0110 289 ARG A NH1 2282 N NH2 . ARG A 289 ? 0.4773 0.7005 0.6176 -0.0677 -0.0317 0.0116 289 ARG A NH2 2283 N N . THR A 290 ? 0.4728 0.6220 0.5995 -0.0519 -0.0167 0.0150 290 THR A N 2284 C CA . THR A 290 ? 0.4822 0.6246 0.6078 -0.0501 -0.0143 0.0155 290 THR A CA 2285 C C . THR A 290 ? 0.4667 0.5953 0.5870 -0.0539 -0.0139 0.0153 290 THR A C 2286 O O . THR A 290 ? 0.3684 0.4893 0.4848 -0.0565 -0.0153 0.0147 290 THR A O 2287 C CB . THR A 290 ? 0.4787 0.6162 0.6041 -0.0423 -0.0134 0.0156 290 THR A CB 2288 O OG1 . THR A 290 ? 0.4820 0.6165 0.6059 -0.0396 -0.0152 0.0152 290 THR A OG1 2289 C CG2 . THR A 290 ? 0.4018 0.5493 0.5313 -0.0378 -0.0119 0.0161 290 THR A CG2 2290 N N . ASN A 291 ? 0.4929 0.6184 0.6126 -0.0535 -0.0118 0.0158 291 ASN A N 2291 C CA . ASN A 291 ? 0.5131 0.6254 0.6277 -0.0550 -0.0111 0.0158 291 ASN A CA 2292 C C . ASN A 291 ? 0.4875 0.5934 0.6014 -0.0487 -0.0101 0.0157 291 ASN A C 2293 O O . ASN A 291 ? 0.4946 0.5904 0.6047 -0.0486 -0.0097 0.0156 291 ASN A O 2294 C CB . ASN A 291 ? 0.5340 0.6472 0.6477 -0.0596 -0.0095 0.0166 291 ASN A CB 2295 C CG . ASN A 291 ? 0.6970 0.8186 0.8148 -0.0564 -0.0075 0.0171 291 ASN A CG 2296 O OD1 . ASN A 291 ? 0.6565 0.7858 0.7784 -0.0515 -0.0074 0.0170 291 ASN A OD1 2297 N ND2 . ASN A 291 ? 0.8247 0.9443 0.9406 -0.0591 -0.0058 0.0178 291 ASN A ND2 2298 N N . LYS A 292 ? 0.4594 0.5714 0.5768 -0.0436 -0.0098 0.0157 292 LYS A N 2299 C CA . LYS A 292 ? 0.3970 0.5037 0.5137 -0.0382 -0.0087 0.0155 292 LYS A CA 2300 C C . LYS A 292 ? 0.3847 0.4814 0.4980 -0.0366 -0.0096 0.0149 292 LYS A C 2301 O O . LYS A 292 ? 0.3962 0.4911 0.5081 -0.0383 -0.0112 0.0146 292 LYS A O 2302 C CB . LYS A 292 ? 0.3842 0.4990 0.5043 -0.0331 -0.0080 0.0156 292 LYS A CB 2303 C CG . LYS A 292 ? 0.3994 0.5223 0.5222 -0.0329 -0.0063 0.0161 292 LYS A CG 2304 C CD . LYS A 292 ? 0.3805 0.5116 0.5062 -0.0273 -0.0056 0.0162 292 LYS A CD 2305 C CE . LYS A 292 ? 0.4381 0.5786 0.5667 -0.0275 -0.0038 0.0166 292 LYS A CE 2306 N NZ . LYS A 292 ? 0.5275 0.6779 0.6591 -0.0218 -0.0034 0.0167 292 LYS A NZ 2307 N N . THR A 293 ? 0.3768 0.4673 0.4884 -0.0335 -0.0084 0.0146 293 THR A N 2308 C CA . THR A 293 ? 0.3497 0.4311 0.4581 -0.0326 -0.0088 0.0140 293 THR A CA 2309 C C . THR A 293 ? 0.3204 0.4009 0.4287 -0.0290 -0.0092 0.0137 293 THR A C 2310 O O . THR A 293 ? 0.2639 0.3392 0.3699 -0.0291 -0.0102 0.0132 293 THR A O 2311 C CB . THR A 293 ? 0.3413 0.4173 0.4480 -0.0317 -0.0075 0.0137 293 THR A CB 2312 O OG1 . THR A 293 ? 0.4219 0.4991 0.5283 -0.0345 -0.0069 0.0143 293 THR A OG1 2313 C CG2 . THR A 293 ? 0.3721 0.4401 0.4755 -0.0316 -0.0081 0.0131 293 THR A CG2 2314 N N . PHE A 294 ? 0.2518 0.3370 0.3620 -0.0256 -0.0084 0.0139 294 PHE A N 2315 C CA . PHE A 294 ? 0.2520 0.3355 0.3612 -0.0217 -0.0085 0.0139 294 PHE A CA 2316 C C . PHE A 294 ? 0.2863 0.3783 0.3979 -0.0198 -0.0093 0.0145 294 PHE A C 2317 O O . PHE A 294 ? 0.2464 0.3468 0.3611 -0.0209 -0.0093 0.0149 294 PHE A O 2318 C CB . PHE A 294 ? 0.2686 0.3479 0.3762 -0.0185 -0.0066 0.0136 294 PHE A CB 2319 C CG . PHE A 294 ? 0.3014 0.3742 0.4071 -0.0201 -0.0058 0.0128 294 PHE A CG 2320 C CD1 . PHE A 294 ? 0.2341 0.3006 0.3373 -0.0204 -0.0061 0.0123 294 PHE A CD1 2321 C CD2 . PHE A 294 ? 0.3141 0.3882 0.4206 -0.0213 -0.0048 0.0128 294 PHE A CD2 2322 C CE1 . PHE A 294 ? 0.2190 0.2811 0.3207 -0.0217 -0.0054 0.0116 294 PHE A CE1 2323 C CE2 . PHE A 294 ? 0.2868 0.3558 0.3914 -0.0225 -0.0042 0.0121 294 PHE A CE2 2324 C CZ . PHE A 294 ? 0.2319 0.2954 0.3344 -0.0226 -0.0046 0.0115 294 PHE A CZ 2325 N N . GLN A 295 ? 0.2174 0.3078 0.3274 -0.0167 -0.0100 0.0147 295 GLN A N 2326 C CA . GLN A 295 ? 0.2368 0.3352 0.3485 -0.0136 -0.0108 0.0154 295 GLN A CA 2327 C C . GLN A 295 ? 0.2580 0.3508 0.3662 -0.0086 -0.0104 0.0157 295 GLN A C 2328 O O . GLN A 295 ? 0.2480 0.3319 0.3527 -0.0091 -0.0101 0.0153 295 GLN A O 2329 C CB . GLN A 295 ? 0.2473 0.3515 0.3606 -0.0168 -0.0132 0.0154 295 GLN A CB 2330 C CG . GLN A 295 ? 0.2070 0.3035 0.3170 -0.0192 -0.0144 0.0149 295 GLN A CG 2331 C CD . GLN A 295 ? 0.2566 0.3519 0.3643 -0.0158 -0.0154 0.0153 295 GLN A CD 2332 O OE1 . GLN A 295 ? 0.2756 0.3756 0.3839 -0.0113 -0.0154 0.0160 295 GLN A OE1 2333 N NE2 . GLN A 295 ? 0.2146 0.3034 0.3192 -0.0174 -0.0163 0.0148 295 GLN A NE2 2334 N N . ASN A 296 ? 0.2892 0.3869 0.3977 -0.0037 -0.0101 0.0164 296 ASN A N 2335 C CA . ASN A 296 ? 0.2810 0.3724 0.3849 0.0013 -0.0096 0.0169 296 ASN A CA 2336 C C . ASN A 296 ? 0.3045 0.4028 0.4088 0.0046 -0.0116 0.0178 296 ASN A C 2337 O O . ASN A 296 ? 0.2851 0.3814 0.3861 0.0103 -0.0112 0.0186 296 ASN A O 2338 C CB . ASN A 296 ? 0.2854 0.3731 0.3871 0.0056 -0.0073 0.0169 296 ASN A CB 2339 C CG . ASN A 296 ? 0.2788 0.3774 0.3840 0.0090 -0.0070 0.0173 296 ASN A CG 2340 O OD1 . ASN A 296 ? 0.3593 0.4693 0.4692 0.0076 -0.0086 0.0176 296 ASN A OD1 2341 N ND2 . ASN A 296 ? 0.2732 0.3686 0.3759 0.0132 -0.0049 0.0172 296 ASN A ND2 2342 N N . VAL A 297 ? 0.3220 0.4281 0.4297 0.0008 -0.0137 0.0177 297 VAL A N 2343 C CA . VAL A 297 ? 0.3036 0.4178 0.4121 0.0031 -0.0159 0.0184 297 VAL A CA 2344 C C . VAL A 297 ? 0.3388 0.4454 0.4426 0.0033 -0.0171 0.0186 297 VAL A C 2345 O O . VAL A 297 ? 0.4240 0.5300 0.5248 0.0085 -0.0176 0.0196 297 VAL A O 2346 C CB . VAL A 297 ? 0.3419 0.4684 0.4558 -0.0018 -0.0178 0.0180 297 VAL A CB 2347 C CG1 . VAL A 297 ? 0.3220 0.4567 0.4364 -0.0005 -0.0204 0.0185 297 VAL A CG1 2348 C CG2 . VAL A 297 ? 0.3439 0.4799 0.4623 -0.0013 -0.0166 0.0181 297 VAL A CG2 2349 N N . SER A 298 ? 0.3358 0.4363 0.4386 -0.0019 -0.0175 0.0178 298 SER A N 2350 C CA . SER A 298 ? 0.3409 0.4348 0.4394 -0.0020 -0.0184 0.0178 298 SER A CA 2351 C C . SER A 298 ? 0.3303 0.4156 0.4271 -0.0067 -0.0178 0.0167 298 SER A C 2352 O O . SER A 298 ? 0.3047 0.3917 0.4041 -0.0112 -0.0181 0.0159 298 SER A O 2353 C CB . SER A 298 ? 0.3943 0.4971 0.4941 -0.0026 -0.0213 0.0180 298 SER A CB 2354 O OG . SER A 298 ? 0.3166 0.4131 0.4119 -0.0027 -0.0223 0.0180 298 SER A OG 2355 N N . PRO A 299 ? 0.3547 0.4307 0.4467 -0.0055 -0.0170 0.0168 299 PRO A N 2356 C CA . PRO A 299 ? 0.3207 0.3898 0.4108 -0.0092 -0.0167 0.0158 299 PRO A CA 2357 C C . PRO A 299 ? 0.3459 0.4172 0.4355 -0.0119 -0.0190 0.0153 299 PRO A C 2358 O O . PRO A 299 ? 0.3504 0.4171 0.4387 -0.0151 -0.0189 0.0143 299 PRO A O 2359 C CB . PRO A 299 ? 0.3381 0.3982 0.4231 -0.0067 -0.0150 0.0163 299 PRO A CB 2360 C CG . PRO A 299 ? 0.2328 0.2951 0.3156 -0.0019 -0.0158 0.0177 299 PRO A CG 2361 C CD . PRO A 299 ? 0.3456 0.4172 0.4331 -0.0003 -0.0163 0.0180 299 PRO A CD 2362 N N . LEU A 300 ? 0.3960 0.4744 0.4862 -0.0104 -0.0210 0.0159 300 LEU A N 2363 C CA . LEU A 300 ? 0.3521 0.4329 0.4410 -0.0126 -0.0234 0.0154 300 LEU A CA 2364 C C . LEU A 300 ? 0.3406 0.4303 0.4335 -0.0166 -0.0252 0.0147 300 LEU A C 2365 O O . LEU A 300 ? 0.3723 0.4717 0.4686 -0.0152 -0.0261 0.0153 300 LEU A O 2366 C CB . LEU A 300 ? 0.3661 0.4490 0.4522 -0.0083 -0.0246 0.0166 300 LEU A CB 2367 C CG . LEU A 300 ? 0.5221 0.5995 0.6031 -0.0086 -0.0254 0.0164 300 LEU A CG 2368 C CD1 . LEU A 300 ? 0.4960 0.5633 0.5744 -0.0106 -0.0233 0.0156 300 LEU A CD1 2369 C CD2 . LEU A 300 ? 0.5199 0.5967 0.5972 -0.0031 -0.0256 0.0181 300 LEU A CD2 2370 N N . TRP A 301 ? 0.2252 0.3118 0.3174 -0.0215 -0.0257 0.0134 301 TRP A N 2371 C CA . TRP A 301 ? 0.2708 0.3643 0.3658 -0.0262 -0.0272 0.0126 301 TRP A CA 2372 C C . TRP A 301 ? 0.3345 0.4227 0.4261 -0.0310 -0.0284 0.0111 301 TRP A C 2373 O O . TRP A 301 ? 0.3768 0.4562 0.4644 -0.0305 -0.0277 0.0106 301 TRP A O 2374 C CB . TRP A 301 ? 0.3328 0.4281 0.4316 -0.0276 -0.0256 0.0127 301 TRP A CB 2375 C CG . TRP A 301 ? 0.3531 0.4382 0.4498 -0.0294 -0.0239 0.0121 301 TRP A CG 2376 C CD1 . TRP A 301 ? 0.3257 0.4058 0.4201 -0.0339 -0.0243 0.0109 301 TRP A CD1 2377 C CD2 . TRP A 301 ? 0.3020 0.3812 0.3984 -0.0266 -0.0215 0.0124 301 TRP A CD2 2378 N NE1 . TRP A 301 ? 0.3858 0.4578 0.4787 -0.0334 -0.0224 0.0107 301 TRP A NE1 2379 C CE2 . TRP A 301 ? 0.3758 0.4477 0.4702 -0.0292 -0.0208 0.0115 301 TRP A CE2 2380 C CE3 . TRP A 301 ? 0.2801 0.3590 0.3770 -0.0221 -0.0200 0.0134 301 TRP A CE3 2381 C CZ2 . TRP A 301 ? 0.3072 0.3733 0.4010 -0.0277 -0.0187 0.0115 301 TRP A CZ2 2382 C CZ3 . TRP A 301 ? 0.3795 0.4517 0.4755 -0.0211 -0.0179 0.0132 301 TRP A CZ3 2383 C CH2 . TRP A 301 ? 0.3405 0.4071 0.4353 -0.0240 -0.0173 0.0123 301 TRP A CH2 2384 N N . ILE A 302 ? 0.3905 0.4845 0.4834 -0.0358 -0.0300 0.0104 302 ILE A N 2385 C CA . ILE A 302 ? 0.4146 0.5029 0.5037 -0.0412 -0.0309 0.0088 302 ILE A CA 2386 C C . ILE A 302 ? 0.3927 0.4831 0.4843 -0.0455 -0.0302 0.0087 302 ILE A C 2387 O O . ILE A 302 ? 0.4089 0.5084 0.5055 -0.0448 -0.0299 0.0096 302 ILE A O 2388 C CB . ILE A 302 ? 0.4709 0.5638 0.5578 -0.0436 -0.0338 0.0080 302 ILE A CB 2389 C CG1 . ILE A 302 ? 0.4598 0.5425 0.5404 -0.0470 -0.0344 0.0063 302 ILE A CG1 2390 C CG2 . ILE A 302 ? 0.4344 0.5396 0.5252 -0.0477 -0.0355 0.0078 302 ILE A CG2 2391 C CD1 . ILE A 302 ? 0.6746 0.7476 0.7514 -0.0429 -0.0330 0.0062 302 ILE A CD1 2392 N N . GLY A 303 ? 0.4370 0.5188 0.5247 -0.0496 -0.0299 0.0077 303 GLY A N 2393 C CA . GLY A 303 ? 0.3670 0.4490 0.4558 -0.0538 -0.0291 0.0077 303 GLY A CA 2394 C C . GLY A 303 ? 0.4755 0.5510 0.5647 -0.0514 -0.0266 0.0084 303 GLY A C 2395 O O . GLY A 303 ? 0.4776 0.5471 0.5654 -0.0471 -0.0255 0.0085 303 GLY A O 2396 N N . GLU A 304 ? 0.5474 0.6247 0.6383 -0.0543 -0.0256 0.0088 304 GLU A N 2397 C CA . GLU A 304 ? 0.4879 0.5599 0.5791 -0.0524 -0.0234 0.0095 304 GLU A CA 2398 C C . GLU A 304 ? 0.4797 0.5602 0.5768 -0.0489 -0.0222 0.0106 304 GLU A C 2399 O O . GLU A 304 ? 0.4977 0.5856 0.5981 -0.0512 -0.0218 0.0112 304 GLU A O 2400 C CB . GLU A 304 ? 0.5847 0.6519 0.6729 -0.0576 -0.0230 0.0093 304 GLU A CB 2401 C CG . GLU A 304 ? 0.6827 0.7390 0.7636 -0.0608 -0.0239 0.0081 304 GLU A CG 2402 C CD . GLU A 304 ? 0.9154 0.9608 0.9924 -0.0567 -0.0228 0.0078 304 GLU A CD 2403 O OE1 . GLU A 304 ? 0.9158 0.9587 0.9935 -0.0548 -0.0212 0.0086 304 GLU A OE1 2404 O OE2 . GLU A 304 ? 0.9303 0.9703 1.0034 -0.0553 -0.0236 0.0068 304 GLU A OE2 2405 N N . CYS A 305 ? 0.4332 0.5125 0.5313 -0.0434 -0.0213 0.0110 305 CYS A N 2406 C CA . CYS A 305 ? 0.4175 0.5038 0.5201 -0.0396 -0.0202 0.0120 305 CYS A CA 2407 C C . CYS A 305 ? 0.3918 0.4729 0.4944 -0.0370 -0.0180 0.0123 305 CYS A C 2408 O O . CYS A 305 ? 0.4131 0.4856 0.5125 -0.0369 -0.0175 0.0118 305 CYS A O 2409 C CB . CYS A 305 ? 0.3821 0.4714 0.4851 -0.0353 -0.0210 0.0123 305 CYS A CB 2410 S SG . CYS A 305 ? 0.5155 0.6161 0.6205 -0.0371 -0.0236 0.0122 305 CYS A SG 2411 N N . PRO A 306 ? 0.3711 0.4580 0.4773 -0.0349 -0.0168 0.0130 306 PRO A N 2412 C CA . PRO A 306 ? 0.3579 0.4401 0.4638 -0.0323 -0.0148 0.0132 306 PRO A CA 2413 C C . PRO A 306 ? 0.3401 0.4175 0.4443 -0.0281 -0.0142 0.0130 306 PRO A C 2414 O O . PRO A 306 ? 0.3150 0.3940 0.4187 -0.0262 -0.0152 0.0132 306 PRO A O 2415 C CB . PRO A 306 ? 0.3007 0.3908 0.4104 -0.0313 -0.0137 0.0138 306 PRO A CB 2416 C CG . PRO A 306 ? 0.3656 0.4649 0.4778 -0.0345 -0.0151 0.0140 306 PRO A CG 2417 C CD . PRO A 306 ? 0.3251 0.4234 0.4354 -0.0350 -0.0171 0.0136 306 PRO A CD 2418 N N . LYS A 307 ? 0.3038 0.3755 0.4068 -0.0270 -0.0127 0.0127 307 LYS A N 2419 C CA . LYS A 307 ? 0.3285 0.3953 0.4295 -0.0240 -0.0118 0.0125 307 LYS A CA 2420 C C . LYS A 307 ? 0.2722 0.3420 0.3739 -0.0203 -0.0113 0.0132 307 LYS A C 2421 O O . LYS A 307 ? 0.2874 0.3613 0.3911 -0.0189 -0.0104 0.0136 307 LYS A O 2422 C CB . LYS A 307 ? 0.3215 0.3836 0.4216 -0.0240 -0.0103 0.0120 307 LYS A CB 2423 C CG . LYS A 307 ? 0.3164 0.3735 0.4143 -0.0221 -0.0092 0.0116 307 LYS A CG 2424 C CD . LYS A 307 ? 0.3639 0.4179 0.4612 -0.0228 -0.0080 0.0109 307 LYS A CD 2425 C CE . LYS A 307 ? 0.4245 0.4751 0.5199 -0.0240 -0.0086 0.0102 307 LYS A CE 2426 N NZ . LYS A 307 ? 0.4862 0.5359 0.5815 -0.0251 -0.0084 0.0098 307 LYS A NZ 2427 N N . TYR A 308 ? 0.2714 0.3387 0.3708 -0.0182 -0.0117 0.0133 308 TYR A N 2428 C CA . TYR A 308 ? 0.2951 0.3634 0.3937 -0.0141 -0.0111 0.0141 308 TYR A CA 2429 C C . TYR A 308 ? 0.2921 0.3541 0.3884 -0.0123 -0.0089 0.0138 308 TYR A C 2430 O O . TYR A 308 ? 0.2961 0.3521 0.3902 -0.0138 -0.0081 0.0131 308 TYR A O 2431 C CB . TYR A 308 ? 0.2683 0.3358 0.3644 -0.0125 -0.0124 0.0146 308 TYR A CB 2432 C CG . TYR A 308 ? 0.3013 0.3688 0.3956 -0.0076 -0.0118 0.0155 308 TYR A CG 2433 C CD1 . TYR A 308 ? 0.2889 0.3642 0.3857 -0.0049 -0.0123 0.0163 308 TYR A CD1 2434 C CD2 . TYR A 308 ? 0.3665 0.4259 0.4559 -0.0055 -0.0107 0.0158 308 TYR A CD2 2435 C CE1 . TYR A 308 ? 0.2695 0.3442 0.3638 0.0005 -0.0117 0.0172 308 TYR A CE1 2436 C CE2 . TYR A 308 ? 0.3188 0.3764 0.4051 -0.0008 -0.0100 0.0168 308 TYR A CE2 2437 C CZ . TYR A 308 ? 0.3001 0.3651 0.3887 0.0026 -0.0106 0.0175 308 TYR A CZ 2438 O OH . TYR A 308 ? 0.3803 0.4428 0.4651 0.0081 -0.0099 0.0186 308 TYR A OH 2439 N N . VAL A 309 ? 0.2762 0.3398 0.3725 -0.0091 -0.0079 0.0143 309 VAL A N 2440 C CA . VAL A 309 ? 0.2898 0.3477 0.3837 -0.0078 -0.0057 0.0139 309 VAL A CA 2441 C C . VAL A 309 ? 0.3140 0.3719 0.4058 -0.0028 -0.0050 0.0147 309 VAL A C 2442 O O . VAL A 309 ? 0.3157 0.3810 0.4098 -0.0006 -0.0061 0.0155 309 VAL A O 2443 C CB . VAL A 309 ? 0.2884 0.3483 0.3849 -0.0102 -0.0050 0.0132 309 VAL A CB 2444 C CG1 . VAL A 309 ? 0.2935 0.3557 0.3905 -0.0075 -0.0036 0.0133 309 VAL A CG1 2445 C CG2 . VAL A 309 ? 0.2703 0.3240 0.3649 -0.0128 -0.0041 0.0121 309 VAL A CG2 2446 N N . LYS A 310 ? 0.3380 0.3876 0.4249 -0.0009 -0.0032 0.0145 310 LYS A N 2447 C CA . LYS A 310 ? 0.3744 0.4218 0.4576 0.0045 -0.0024 0.0153 310 LYS A CA 2448 C C . LYS A 310 ? 0.3746 0.4247 0.4588 0.0070 -0.0010 0.0150 310 LYS A C 2449 O O . LYS A 310 ? 0.4514 0.5002 0.5325 0.0123 -0.0002 0.0156 310 LYS A O 2450 C CB . LYS A 310 ? 0.3243 0.3598 0.4001 0.0054 -0.0008 0.0153 310 LYS A CB 2451 C CG . LYS A 310 ? 0.4635 0.4960 0.5378 0.0029 -0.0018 0.0156 310 LYS A CG 2452 C CD . LYS A 310 ? 0.5298 0.5545 0.5971 0.0064 -0.0012 0.0167 310 LYS A CD 2453 C CE . LYS A 310 ? 0.5928 0.6059 0.6532 0.0062 0.0014 0.0161 310 LYS A CE 2454 N NZ . LYS A 310 ? 0.7479 0.7519 0.8005 0.0088 0.0021 0.0174 310 LYS A NZ 2455 N N . SER A 311 ? 0.3215 0.3751 0.4095 0.0036 -0.0007 0.0141 311 SER A N 2456 C CA . SER A 311 ? 0.3290 0.3849 0.4178 0.0054 0.0008 0.0137 311 SER A CA 2457 C C . SER A 311 ? 0.3451 0.4115 0.4375 0.0090 0.0002 0.0145 311 SER A C 2458 O O . SER A 311 ? 0.4032 0.4783 0.5002 0.0076 -0.0016 0.0152 311 SER A O 2459 C CB . SER A 311 ? 0.3206 0.3779 0.4122 0.0005 0.0011 0.0127 311 SER A CB 2460 O OG . SER A 311 ? 0.3781 0.4291 0.4680 -0.0032 0.0009 0.0120 311 SER A OG 2461 N N . GLU A 312 ? 0.3839 0.4500 0.4743 0.0135 0.0019 0.0144 312 GLU A N 2462 C CA . GLU A 312 ? 0.4487 0.5264 0.5432 0.0170 0.0017 0.0150 312 GLU A CA 2463 C C . GLU A 312 ? 0.4448 0.5311 0.5451 0.0127 0.0017 0.0146 312 GLU A C 2464 O O . GLU A 312 ? 0.4403 0.5386 0.5458 0.0125 0.0008 0.0152 312 GLU A O 2465 C CB . GLU A 312 ? 0.4368 0.5110 0.5266 0.0237 0.0038 0.0149 312 GLU A CB 2466 C CG . GLU A 312 ? 0.5805 0.6454 0.6633 0.0288 0.0040 0.0156 312 GLU A CG 2467 C CD . GLU A 312 ? 0.7345 0.8065 0.8194 0.0312 0.0018 0.0171 312 GLU A CD 2468 O OE1 . GLU A 312 ? 0.7394 0.8256 0.8308 0.0316 0.0005 0.0175 312 GLU A OE1 2469 O OE2 . GLU A 312 ? 0.8657 0.9293 0.9455 0.0325 0.0013 0.0177 312 GLU A OE2 2470 N N . SER A 313 ? 0.4113 0.4916 0.5104 0.0089 0.0028 0.0136 313 SER A N 2471 C CA . SER A 313 ? 0.3917 0.4780 0.4947 0.0054 0.0032 0.0132 313 SER A CA 2472 C C . SER A 313 ? 0.3483 0.4276 0.4500 0.0005 0.0033 0.0124 313 SER A C 2473 O O . SER A 313 ? 0.4100 0.4796 0.5072 0.0006 0.0041 0.0115 313 SER A O 2474 C CB . SER A 313 ? 0.3785 0.4677 0.4807 0.0094 0.0053 0.0129 313 SER A CB 2475 O OG . SER A 313 ? 0.4106 0.5060 0.5163 0.0060 0.0058 0.0127 313 SER A OG 2476 N N . LEU A 314 ? 0.2816 0.3658 0.3869 -0.0039 0.0026 0.0125 314 LEU A N 2477 C CA . LEU A 314 ? 0.3105 0.3894 0.4147 -0.0080 0.0027 0.0118 314 LEU A CA 2478 C C . LEU A 314 ? 0.2784 0.3632 0.3852 -0.0104 0.0032 0.0120 314 LEU A C 2479 O O . LEU A 314 ? 0.2789 0.3664 0.3878 -0.0142 0.0021 0.0126 314 LEU A O 2480 C CB . LEU A 314 ? 0.3001 0.3762 0.4046 -0.0112 0.0008 0.0120 314 LEU A CB 2481 C CG . LEU A 314 ? 0.2889 0.3584 0.3903 -0.0097 0.0004 0.0118 314 LEU A CG 2482 C CD1 . LEU A 314 ? 0.2430 0.3121 0.3454 -0.0125 -0.0014 0.0121 314 LEU A CD1 2483 C CD2 . LEU A 314 ? 0.2218 0.2828 0.3190 -0.0098 0.0018 0.0106 314 LEU A CD2 2484 N N . ARG A 315 ? 0.3226 0.4088 0.4284 -0.0079 0.0051 0.0116 315 ARG A N 2485 C CA . ARG A 315 ? 0.3641 0.4563 0.4719 -0.0097 0.0060 0.0119 315 ARG A CA 2486 C C . ARG A 315 ? 0.3093 0.3956 0.4145 -0.0124 0.0064 0.0111 315 ARG A C 2487 O O . ARG A 315 ? 0.3027 0.3828 0.4044 -0.0108 0.0075 0.0099 315 ARG A O 2488 C CB . ARG A 315 ? 0.3828 0.4806 0.4910 -0.0054 0.0078 0.0118 315 ARG A CB 2489 C CG . ARG A 315 ? 0.3112 0.4170 0.4217 -0.0070 0.0091 0.0122 315 ARG A CG 2490 C CD . ARG A 315 ? 0.3517 0.4682 0.4651 -0.0031 0.0101 0.0127 315 ARG A CD 2491 N NE . ARG A 315 ? 0.4003 0.5275 0.5188 -0.0065 0.0090 0.0139 315 ARG A NE 2492 C CZ . ARG A 315 ? 0.4579 0.5958 0.5801 -0.0040 0.0088 0.0144 315 ARG A CZ 2493 N NH1 . ARG A 315 ? 0.6319 0.7706 0.7529 0.0028 0.0095 0.0141 315 ARG A NH1 2494 N NH2 . ARG A 315 ? 0.5536 0.7010 0.6801 -0.0083 0.0077 0.0153 315 ARG A NH2 2495 N N . LEU A 316 ? 0.2412 0.3293 0.3478 -0.0164 0.0056 0.0118 316 LEU A N 2496 C CA . LEU A 316 ? 0.2262 0.3098 0.3304 -0.0188 0.0057 0.0114 316 LEU A CA 2497 C C . LEU A 316 ? 0.2749 0.3627 0.3791 -0.0192 0.0073 0.0117 316 LEU A C 2498 O O . LEU A 316 ? 0.2746 0.3694 0.3814 -0.0206 0.0076 0.0128 316 LEU A O 2499 C CB . LEU A 316 ? 0.2595 0.3411 0.3641 -0.0224 0.0039 0.0121 316 LEU A CB 2500 C CG . LEU A 316 ? 0.3421 0.4175 0.4440 -0.0238 0.0032 0.0116 316 LEU A CG 2501 C CD1 . LEU A 316 ? 0.2776 0.3479 0.3776 -0.0220 0.0033 0.0102 316 LEU A CD1 2502 C CD2 . LEU A 316 ? 0.2589 0.3328 0.3611 -0.0263 0.0014 0.0125 316 LEU A CD2 2503 N N . ALA A 317 ? 0.2738 0.3580 0.3749 -0.0183 0.0084 0.0106 317 ALA A N 2504 C CA . ALA A 317 ? 0.2192 0.3066 0.3195 -0.0189 0.0099 0.0108 317 ALA A CA 2505 C C . ALA A 317 ? 0.2489 0.3361 0.3489 -0.0229 0.0090 0.0120 317 ALA A C 2506 O O . ALA A 317 ? 0.2400 0.3221 0.3386 -0.0243 0.0075 0.0119 317 ALA A O 2507 C CB . ALA A 317 ? 0.2278 0.3107 0.3242 -0.0170 0.0111 0.0091 317 ALA A CB 2508 N N . THR A 318 ? 0.2609 0.3536 0.3618 -0.0245 0.0100 0.0131 318 THR A N 2509 C CA . THR A 318 ? 0.3105 0.4017 0.4096 -0.0282 0.0096 0.0144 318 THR A CA 2510 C C . THR A 318 ? 0.3215 0.4145 0.4182 -0.0281 0.0114 0.0145 318 THR A C 2511 O O . THR A 318 ? 0.2991 0.3878 0.3922 -0.0292 0.0111 0.0146 318 THR A O 2512 C CB . THR A 318 ? 0.3055 0.4006 0.4067 -0.0317 0.0090 0.0160 318 THR A CB 2513 O OG1 . THR A 318 ? 0.3352 0.4395 0.4398 -0.0313 0.0105 0.0163 318 THR A OG1 2514 C CG2 . THR A 318 ? 0.2513 0.3436 0.3540 -0.0319 0.0070 0.0159 318 THR A CG2 2515 N N . GLY A 319 ? 0.3181 0.4179 0.4166 -0.0265 0.0133 0.0143 319 GLY A N 2516 C CA . GLY A 319 ? 0.3214 0.4233 0.4175 -0.0259 0.0154 0.0141 319 GLY A CA 2517 C C . GLY A 319 ? 0.3033 0.4007 0.3965 -0.0224 0.0160 0.0120 319 GLY A C 2518 O O . GLY A 319 ? 0.3309 0.4227 0.4234 -0.0212 0.0146 0.0109 319 GLY A O 2519 N N . LEU A 320 ? 0.3347 0.4346 0.4259 -0.0209 0.0180 0.0114 320 LEU A N 2520 C CA . LEU A 320 ? 0.3705 0.4653 0.4578 -0.0183 0.0186 0.0093 320 LEU A CA 2521 C C . LEU A 320 ? 0.3648 0.4616 0.4521 -0.0139 0.0205 0.0079 320 LEU A C 2522 O O . LEU A 320 ? 0.3900 0.4935 0.4810 -0.0125 0.0213 0.0087 320 LEU A O 2523 C CB . LEU A 320 ? 0.4102 0.5043 0.4934 -0.0198 0.0193 0.0095 320 LEU A CB 2524 C CG . LEU A 320 ? 0.4086 0.5096 0.4920 -0.0208 0.0215 0.0108 320 LEU A CG 2525 C CD1 . LEU A 320 ? 0.4739 0.5779 0.5558 -0.0171 0.0240 0.0093 320 LEU A CD1 2526 C CD2 . LEU A 320 ? 0.4353 0.5341 0.5149 -0.0237 0.0211 0.0120 320 LEU A CD2 2527 N N . ARG A 321 ? 0.2679 0.3588 0.3507 -0.0117 0.0211 0.0058 321 ARG A N 2528 C CA . ARG A 321 ? 0.2653 0.3558 0.3463 -0.0070 0.0231 0.0042 321 ARG A CA 2529 C C . ARG A 321 ? 0.3153 0.4145 0.3975 -0.0052 0.0256 0.0048 321 ARG A C 2530 O O . ARG A 321 ? 0.3106 0.4120 0.3910 -0.0070 0.0265 0.0051 321 ARG A O 2531 C CB . ARG A 321 ? 0.2414 0.3231 0.3161 -0.0061 0.0235 0.0017 321 ARG A CB 2532 C CG . ARG A 321 ? 0.3886 0.4669 0.4597 -0.0011 0.0255 -0.0002 321 ARG A CG 2533 C CD . ARG A 321 ? 0.3458 0.4148 0.4096 -0.0012 0.0260 -0.0029 321 ARG A CD 2534 N NE . ARG A 321 ? 0.4478 0.5099 0.5106 -0.0044 0.0238 -0.0036 321 ARG A NE 2535 C CZ . ARG A 321 ? 0.3637 0.4185 0.4242 -0.0034 0.0236 -0.0047 321 ARG A CZ 2536 N NH1 . ARG A 321 ? 0.3256 0.3778 0.3840 0.0014 0.0252 -0.0052 321 ARG A NH1 2537 N NH2 . ARG A 321 ? 0.2932 0.3432 0.3531 -0.0069 0.0217 -0.0053 321 ARG A NH2 2538 N N . ASN A 322 ? 0.3425 0.4473 0.4276 -0.0015 0.0267 0.0051 322 ASN A N 2539 C CA . ASN A 322 ? 0.3086 0.4237 0.3956 0.0005 0.0291 0.0057 322 ASN A CA 2540 C C . ASN A 322 ? 0.4148 0.5274 0.4964 0.0053 0.0317 0.0036 322 ASN A C 2541 O O . ASN A 322 ? 0.3616 0.4705 0.4410 0.0105 0.0324 0.0023 322 ASN A O 2542 C CB . ASN A 322 ? 0.3589 0.4830 0.4517 0.0026 0.0290 0.0069 322 ASN A CB 2543 C CG . ASN A 322 ? 0.4247 0.5624 0.5213 0.0023 0.0310 0.0082 322 ASN A CG 2544 O OD1 . ASN A 322 ? 0.4461 0.5865 0.5424 -0.0018 0.0317 0.0090 322 ASN A OD1 2545 N ND2 . ASN A 322 ? 0.3755 0.5223 0.4757 0.0067 0.0319 0.0084 322 ASN A ND2 2546 N N . VAL A 323 ? 0.3088 0.4225 0.3875 0.0038 0.0331 0.0034 323 VAL A N 2547 C CA . VAL A 323 ? 0.4003 0.5115 0.4733 0.0081 0.0357 0.0012 323 VAL A CA 2548 C C . VAL A 323 ? 0.4219 0.5447 0.4966 0.0089 0.0384 0.0021 323 VAL A C 2549 O O . VAL A 323 ? 0.3576 0.4804 0.4292 0.0066 0.0393 0.0020 323 VAL A O 2550 C CB . VAL A 323 ? 0.4270 0.5276 0.4933 0.0058 0.0350 -0.0005 323 VAL A CB 2551 C CG1 . VAL A 323 ? 0.3319 0.4263 0.3910 0.0106 0.0373 -0.0034 323 VAL A CG1 2552 C CG2 . VAL A 323 ? 0.2980 0.3901 0.3643 0.0028 0.0320 -0.0008 323 VAL A CG2 2553 N N . PRO A 324 ? 0.5147 0.6482 0.5944 0.0121 0.0396 0.0031 324 PRO A N 2554 C CA . PRO A 324 ? 0.5533 0.6994 0.6350 0.0127 0.0425 0.0039 324 PRO A CA 2555 C C . PRO A 324 ? 0.5932 0.7374 0.6688 0.0184 0.0455 0.0016 324 PRO A C 2556 O O . PRO A 324 ? 0.5179 0.6534 0.5888 0.0236 0.0457 -0.0005 324 PRO A O 2557 C CB . PRO A 324 ? 0.5450 0.7035 0.6340 0.0150 0.0426 0.0052 324 PRO A CB 2558 C CG . PRO A 324 ? 0.4114 0.5626 0.5015 0.0158 0.0398 0.0051 324 PRO A CG 2559 C CD . PRO A 324 ? 0.4810 0.6159 0.5640 0.0160 0.0387 0.0032 324 PRO A CD 2560 N N . GLN A 325 ? 0.5456 0.6972 0.6205 0.0171 0.0479 0.0020 325 GLN A N 2561 C CA . GLN A 325 ? 0.6824 0.8333 0.7513 0.0223 0.0510 -0.0001 325 GLN A CA 2562 C C . GLN A 325 ? 0.6569 0.8235 0.7291 0.0228 0.0542 0.0011 325 GLN A C 2563 O O . GLN A 325 ? 0.7435 0.9187 0.8174 0.0290 0.0565 0.0005 325 GLN A O 2564 C CB . GLN A 325 ? 0.6365 0.7752 0.6976 0.0198 0.0506 -0.0017 325 GLN A CB 2565 C CG . GLN A 325 ? 0.6612 0.8015 0.7235 0.0122 0.0493 0.0004 325 GLN A CG 2566 C CD . GLN A 325 ? 0.6739 0.8025 0.7286 0.0099 0.0483 -0.0012 325 GLN A CD 2567 O OE1 . GLN A 325 ? 0.6764 0.7969 0.7247 0.0137 0.0491 -0.0040 325 GLN A OE1 2568 N NE2 . GLN A 325 ? 0.4732 0.6009 0.5282 0.0038 0.0465 0.0006 325 GLN A NE2 2569 N N . GLY B 1 ? 0.7371 0.7824 0.7854 -0.0175 0.0194 -0.0106 330 GLY B N 2570 C CA . GLY B 1 ? 0.5905 0.6415 0.6427 -0.0203 0.0171 -0.0091 330 GLY B CA 2571 C C . GLY B 1 ? 0.6974 0.7474 0.7457 -0.0236 0.0158 -0.0113 330 GLY B C 2572 O O . GLY B 1 ? 0.6271 0.6749 0.6700 -0.0238 0.0168 -0.0133 330 GLY B O 2573 N N . ILE B 2 ? 0.5878 0.6400 0.6389 -0.0261 0.0135 -0.0109 331 ILE B N 2574 C CA . ILE B 2 ? 0.4884 0.5412 0.5365 -0.0294 0.0120 -0.0130 331 ILE B CA 2575 C C . ILE B 2 ? 0.4442 0.5024 0.4911 -0.0295 0.0111 -0.0125 331 ILE B C 2576 O O . ILE B 2 ? 0.4601 0.5198 0.5040 -0.0318 0.0099 -0.0144 331 ILE B O 2577 C CB . ILE B 2 ? 0.4258 0.4806 0.4774 -0.0317 0.0099 -0.0128 331 ILE B CB 2578 C CG1 . ILE B 2 ? 0.4277 0.4879 0.4849 -0.0303 0.0084 -0.0096 331 ILE B CG1 2579 C CG2 . ILE B 2 ? 0.4145 0.4633 0.4660 -0.0323 0.0108 -0.0137 331 ILE B CG2 2580 C CD1 . ILE B 2 ? 0.5031 0.5656 0.5637 -0.0319 0.0064 -0.0094 331 ILE B CD1 2581 N N . PHE B 3 ? 0.3748 0.4362 0.4239 -0.0272 0.0116 -0.0098 332 PHE B N 2582 C CA . PHE B 3 ? 0.3694 0.4350 0.4164 -0.0272 0.0109 -0.0091 332 PHE B CA 2583 C C . PHE B 3 ? 0.3406 0.4049 0.3828 -0.0260 0.0131 -0.0101 332 PHE B C 2584 O O . PHE B 3 ? 0.4339 0.5006 0.4727 -0.0264 0.0127 -0.0103 332 PHE B O 2585 C CB . PHE B 3 ? 0.3292 0.3987 0.3802 -0.0262 0.0099 -0.0055 332 PHE B CB 2586 C CG . PHE B 3 ? 0.3337 0.4049 0.3880 -0.0271 0.0074 -0.0047 332 PHE B CG 2587 C CD1 . PHE B 3 ? 0.2849 0.3547 0.3436 -0.0269 0.0073 -0.0039 332 PHE B CD1 2588 C CD2 . PHE B 3 ? 0.3172 0.3919 0.3701 -0.0277 0.0052 -0.0047 332 PHE B CD2 2589 C CE1 . PHE B 3 ? 0.2704 0.3417 0.3318 -0.0275 0.0051 -0.0032 332 PHE B CE1 2590 C CE2 . PHE B 3 ? 0.3060 0.3828 0.3617 -0.0278 0.0030 -0.0040 332 PHE B CE2 2591 C CZ . PHE B 3 ? 0.2888 0.3638 0.3488 -0.0278 0.0031 -0.0033 332 PHE B CZ 2592 N N . GLY B 4 ? 0.3841 0.4445 0.4257 -0.0243 0.0155 -0.0109 333 GLY B N 2593 C CA . GLY B 4 ? 0.3496 0.4075 0.3855 -0.0230 0.0178 -0.0128 333 GLY B CA 2594 C C . GLY B 4 ? 0.3845 0.4462 0.4206 -0.0206 0.0197 -0.0109 333 GLY B C 2595 O O . GLY B 4 ? 0.3509 0.4112 0.3821 -0.0192 0.0217 -0.0124 333 GLY B O 2596 N N . ALA B 5 ? 0.3327 0.3991 0.3741 -0.0202 0.0192 -0.0076 334 ALA B N 2597 C CA . ALA B 5 ? 0.2704 0.3413 0.3122 -0.0188 0.0211 -0.0055 334 ALA B CA 2598 C C . ALA B 5 ? 0.3272 0.3993 0.3723 -0.0161 0.0234 -0.0047 334 ALA B C 2599 O O . ALA B 5 ? 0.3441 0.4169 0.3867 -0.0137 0.0259 -0.0056 334 ALA B O 2600 C CB . ALA B 5 ? 0.2771 0.3519 0.3214 -0.0204 0.0194 -0.0023 334 ALA B CB 2601 N N . ILE B 6 ? 0.2909 0.3638 0.3416 -0.0162 0.0224 -0.0032 335 ILE B N 2602 C CA . ILE B 6 ? 0.3346 0.4101 0.3888 -0.0136 0.0243 -0.0023 335 ILE B CA 2603 C C . ILE B 6 ? 0.3601 0.4305 0.4111 -0.0104 0.0259 -0.0050 335 ILE B C 2604 O O . ILE B 6 ? 0.3477 0.4117 0.3969 -0.0110 0.0248 -0.0068 335 ILE B O 2605 C CB . ILE B 6 ? 0.3028 0.3800 0.3632 -0.0146 0.0226 -0.0002 335 ILE B CB 2606 C CG1 . ILE B 6 ? 0.3197 0.4014 0.3824 -0.0173 0.0216 0.0026 335 ILE B CG1 2607 C CG2 . ILE B 6 ? 0.2259 0.3058 0.2898 -0.0116 0.0242 0.0002 335 ILE B CG2 2608 C CD1 . ILE B 6 ? 0.3133 0.3959 0.3812 -0.0188 0.0199 0.0046 335 ILE B CD1 2609 N N . ALA B 7 ? 0.3533 0.4264 0.4031 -0.0070 0.0287 -0.0053 336 ALA B N 2610 C CA . ALA B 7 ? 0.4009 0.4681 0.4456 -0.0033 0.0307 -0.0080 336 ALA B CA 2611 C C . ALA B 7 ? 0.3983 0.4571 0.4359 -0.0053 0.0300 -0.0110 336 ALA B C 2612 O O . ALA B 7 ? 0.3907 0.4413 0.4245 -0.0046 0.0300 -0.0132 336 ALA B O 2613 C CB . ALA B 7 ? 0.2796 0.3440 0.3268 -0.0007 0.0305 -0.0079 336 ALA B CB 2614 N N . GLY B 8 ? 0.4313 0.4925 0.4670 -0.0080 0.0292 -0.0110 337 GLY B N 2615 C CA . GLY B 8 ? 0.3896 0.4451 0.4188 -0.0104 0.0284 -0.0137 337 GLY B CA 2616 C C . GLY B 8 ? 0.4626 0.5211 0.4875 -0.0098 0.0300 -0.0142 337 GLY B C 2617 O O . GLY B 8 ? 0.5099 0.5686 0.5322 -0.0061 0.0328 -0.0149 337 GLY B O 2618 N N . PHE B 9 ? 0.3776 0.4387 0.4015 -0.0129 0.0282 -0.0137 338 PHE B N 2619 C CA . PHE B 9 ? 0.3974 0.4607 0.4163 -0.0125 0.0296 -0.0142 338 PHE B CA 2620 C C . PHE B 9 ? 0.4255 0.4966 0.4481 -0.0108 0.0315 -0.0110 338 PHE B C 2621 O O . PHE B 9 ? 0.4649 0.5385 0.4839 -0.0094 0.0337 -0.0113 338 PHE B O 2622 C CB . PHE B 9 ? 0.3342 0.3979 0.3499 -0.0160 0.0270 -0.0147 338 PHE B CB 2623 C CG . PHE B 9 ? 0.4124 0.4815 0.4331 -0.0180 0.0246 -0.0113 338 PHE B CG 2624 C CD1 . PHE B 9 ? 0.3787 0.4529 0.3992 -0.0179 0.0253 -0.0087 338 PHE B CD1 2625 C CD2 . PHE B 9 ? 0.3937 0.4621 0.4184 -0.0200 0.0219 -0.0108 338 PHE B CD2 2626 C CE1 . PHE B 9 ? 0.3738 0.4511 0.3975 -0.0195 0.0232 -0.0055 338 PHE B CE1 2627 C CE2 . PHE B 9 ? 0.3532 0.4255 0.3815 -0.0212 0.0198 -0.0078 338 PHE B CE2 2628 C CZ . PHE B 9 ? 0.3411 0.4173 0.3687 -0.0209 0.0204 -0.0051 338 PHE B CZ 2629 N N . ILE B 10 ? 0.3695 0.4445 0.3993 -0.0112 0.0307 -0.0082 339 ILE B N 2630 C CA . ILE B 10 ? 0.3480 0.4303 0.3820 -0.0097 0.0328 -0.0056 339 ILE B CA 2631 C C . ILE B 10 ? 0.3950 0.4770 0.4322 -0.0063 0.0342 -0.0062 339 ILE B C 2632 O O . ILE B 10 ? 0.3741 0.4559 0.4164 -0.0069 0.0326 -0.0051 339 ILE B O 2633 C CB . ILE B 10 ? 0.3474 0.4343 0.3863 -0.0129 0.0311 -0.0020 339 ILE B CB 2634 C CG1 . ILE B 10 ? 0.3342 0.4202 0.3688 -0.0155 0.0295 -0.0014 339 ILE B CG1 2635 C CG2 . ILE B 10 ? 0.3248 0.4196 0.3675 -0.0123 0.0334 0.0005 339 ILE B CG2 2636 C CD1 . ILE B 10 ? 0.2967 0.3840 0.3344 -0.0183 0.0272 0.0017 339 ILE B CD1 2637 N N . GLU B 11 ? 0.5886 0.6705 0.6224 -0.0023 0.0371 -0.0080 340 GLU B N 2638 C CA . GLU B 11 ? 0.5312 0.6101 0.5654 0.0020 0.0384 -0.0094 340 GLU B CA 2639 C C . GLU B 11 ? 0.5133 0.5995 0.5554 0.0034 0.0386 -0.0069 340 GLU B C 2640 O O . GLU B 11 ? 0.5841 0.6669 0.6277 0.0058 0.0382 -0.0074 340 GLU B O 2641 C CB . GLU B 11 ? 0.6695 0.7470 0.6975 0.0067 0.0417 -0.0117 340 GLU B CB 2642 C CG . GLU B 11 ? 0.7995 0.8675 0.8183 0.0059 0.0417 -0.0151 340 GLU B CG 2643 C CD . GLU B 11 ? 1.0368 1.1026 1.0487 0.0110 0.0452 -0.0176 340 GLU B CD 2644 O OE1 . GLU B 11 ? 0.9821 1.0561 0.9947 0.0126 0.0475 -0.0165 340 GLU B OE1 2645 O OE2 . GLU B 11 ? 1.0987 1.1540 1.1040 0.0132 0.0458 -0.0206 340 GLU B OE2 2646 N N . GLY B 12 ? 0.4242 0.5202 0.4709 0.0018 0.0392 -0.0042 341 GLY B N 2647 C CA . GLY B 12 ? 0.3416 0.4459 0.3956 0.0028 0.0396 -0.0020 341 GLY B CA 2648 C C . GLY B 12 ? 0.3325 0.4437 0.3917 -0.0021 0.0385 0.0013 341 GLY B C 2649 O O . GLY B 12 ? 0.3008 0.4111 0.3575 -0.0057 0.0379 0.0021 341 GLY B O 2650 N N . GLY B 13 ? 0.3149 0.4324 0.3807 -0.0022 0.0382 0.0030 342 GLY B N 2651 C CA . GLY B 13 ? 0.2957 0.4196 0.3660 -0.0070 0.0374 0.0060 342 GLY B CA 2652 C C . GLY B 13 ? 0.3547 0.4898 0.4266 -0.0073 0.0403 0.0074 342 GLY B C 2653 O O . GLY B 13 ? 0.3491 0.4883 0.4193 -0.0031 0.0431 0.0060 342 GLY B O 2654 N N . TRP B 14 ? 0.2875 0.4273 0.3623 -0.0125 0.0398 0.0101 343 TRP B N 2655 C CA . TRP B 14 ? 0.2693 0.4199 0.3456 -0.0146 0.0425 0.0118 343 TRP B CA 2656 C C . TRP B 14 ? 0.3399 0.5000 0.4235 -0.0167 0.0424 0.0135 343 TRP B C 2657 O O . TRP B 14 ? 0.3192 0.4773 0.4045 -0.0218 0.0404 0.0154 343 TRP B O 2658 C CB . TRP B 14 ? 0.2418 0.3891 0.3138 -0.0199 0.0424 0.0136 343 TRP B CB 2659 C CG . TRP B 14 ? 0.2887 0.4291 0.3534 -0.0183 0.0428 0.0121 343 TRP B CG 2660 C CD1 . TRP B 14 ? 0.2892 0.4286 0.3507 -0.0132 0.0445 0.0094 343 TRP B CD1 2661 C CD2 . TRP B 14 ? 0.2771 0.4105 0.3363 -0.0216 0.0415 0.0132 343 TRP B CD2 2662 N NE1 . TRP B 14 ? 0.3120 0.4446 0.3664 -0.0137 0.0442 0.0086 343 TRP B NE1 2663 C CE2 . TRP B 14 ? 0.2561 0.3854 0.3092 -0.0187 0.0423 0.0110 343 TRP B CE2 2664 C CE3 . TRP B 14 ? 0.2792 0.4089 0.3373 -0.0266 0.0397 0.0159 343 TRP B CE3 2665 C CZ2 . TRP B 14 ? 0.2784 0.4015 0.3251 -0.0205 0.0412 0.0114 343 TRP B CZ2 2666 C CZ3 . TRP B 14 ? 0.2748 0.3977 0.3263 -0.0279 0.0387 0.0164 343 TRP B CZ3 2667 C CH2 . TRP B 14 ? 0.2830 0.4033 0.3292 -0.0249 0.0394 0.0141 343 TRP B CH2 2668 N N . THR B 15 ? 0.3729 0.5435 0.4606 -0.0127 0.0444 0.0128 344 THR B N 2669 C CA . THR B 15 ? 0.3971 0.5791 0.4920 -0.0149 0.0443 0.0143 344 THR B CA 2670 C C . THR B 15 ? 0.3950 0.5848 0.4907 -0.0217 0.0459 0.0168 344 THR B C 2671 O O . THR B 15 ? 0.4329 0.6302 0.5335 -0.0260 0.0453 0.0183 344 THR B O 2672 C CB . THR B 15 ? 0.3709 0.5641 0.4699 -0.0084 0.0463 0.0131 344 THR B CB 2673 O OG1 . THR B 15 ? 0.4413 0.6401 0.5374 -0.0052 0.0498 0.0122 344 THR B OG1 2674 C CG2 . THR B 15 ? 0.3201 0.5049 0.4182 -0.0021 0.0445 0.0111 344 THR B CG2 2675 N N . GLY B 16 ? 0.3854 0.5727 0.4755 -0.0230 0.0477 0.0170 345 GLY B N 2676 C CA . GLY B 16 ? 0.3714 0.5647 0.4606 -0.0294 0.0496 0.0194 345 GLY B CA 2677 C C . GLY B 16 ? 0.4195 0.6033 0.5058 -0.0363 0.0472 0.0215 345 GLY B C 2678 O O . GLY B 16 ? 0.5057 0.6937 0.5918 -0.0427 0.0483 0.0238 345 GLY B O 2679 N N . MET B 17 ? 0.4291 0.5997 0.5127 -0.0349 0.0441 0.0208 346 MET B N 2680 C CA . MET B 17 ? 0.4204 0.5812 0.5010 -0.0403 0.0416 0.0227 346 MET B CA 2681 C C . MET B 17 ? 0.4704 0.6318 0.5564 -0.0419 0.0392 0.0230 346 MET B C 2682 O O . MET B 17 ? 0.4232 0.5781 0.5103 -0.0387 0.0367 0.0216 346 MET B O 2683 C CB . MET B 17 ? 0.3658 0.5132 0.4403 -0.0381 0.0396 0.0218 346 MET B CB 2684 C CG . MET B 17 ? 0.3590 0.4964 0.4296 -0.0425 0.0371 0.0238 346 MET B CG 2685 S SD . MET B 17 ? 0.4901 0.6147 0.5539 -0.0395 0.0348 0.0227 346 MET B SD 2686 C CE . MET B 17 ? 0.3037 0.4256 0.3722 -0.0348 0.0324 0.0199 346 MET B CE 2687 N N . ILE B 18 ? 0.5034 0.6729 0.5927 -0.0472 0.0401 0.0247 347 ILE B N 2688 C CA . ILE B 18 ? 0.4662 0.6394 0.5613 -0.0488 0.0382 0.0248 347 ILE B CA 2689 C C . ILE B 18 ? 0.4691 0.6317 0.5612 -0.0542 0.0356 0.0264 347 ILE B C 2690 O O . ILE B 18 ? 0.5438 0.7059 0.6395 -0.0551 0.0334 0.0262 347 ILE B O 2691 C CB . ILE B 18 ? 0.4977 0.6875 0.5986 -0.0517 0.0405 0.0255 347 ILE B CB 2692 C CG1 . ILE B 18 ? 0.5321 0.7233 0.6295 -0.0600 0.0422 0.0279 347 ILE B CG1 2693 C CG2 . ILE B 18 ? 0.4465 0.6476 0.5502 -0.0454 0.0433 0.0239 347 ILE B CG2 2694 C CD1 . ILE B 18 ? 0.4982 0.7055 0.6013 -0.0648 0.0440 0.0287 347 ILE B CD1 2695 N N . ASP B 19 ? 0.5685 0.7221 0.6535 -0.0574 0.0359 0.0279 348 ASP B N 2696 C CA . ASP B 19 ? 0.6113 0.7547 0.6921 -0.0628 0.0339 0.0298 348 ASP B CA 2697 C C . ASP B 19 ? 0.6595 0.7889 0.7364 -0.0596 0.0309 0.0292 348 ASP B C 2698 O O . ASP B 19 ? 0.7150 0.8343 0.7866 -0.0629 0.0295 0.0308 348 ASP B O 2699 C CB . ASP B 19 ? 0.6503 0.7916 0.7246 -0.0688 0.0361 0.0323 348 ASP B CB 2700 C CG . ASP B 19 ? 0.7560 0.8937 0.8246 -0.0657 0.0376 0.0323 348 ASP B CG 2701 O OD1 . ASP B 19 ? 0.6648 0.8070 0.7359 -0.0598 0.0382 0.0303 348 ASP B OD1 2702 O OD2 . ASP B 19 ? 0.8214 0.9513 0.8823 -0.0694 0.0381 0.0345 348 ASP B OD2 2703 N N . GLY B 20 ? 0.4921 0.6207 0.5711 -0.0532 0.0299 0.0270 349 GLY B N 2704 C CA . GLY B 20 ? 0.3989 0.5161 0.4750 -0.0504 0.0270 0.0262 349 GLY B CA 2705 C C . GLY B 20 ? 0.3836 0.5005 0.4616 -0.0441 0.0264 0.0236 349 GLY B C 2706 O O . GLY B 20 ? 0.4420 0.5663 0.5227 -0.0412 0.0283 0.0223 349 GLY B O 2707 N N . TRP B 21 ? 0.3948 0.5027 0.4709 -0.0421 0.0238 0.0228 350 TRP B N 2708 C CA . TRP B 21 ? 0.3575 0.4639 0.4348 -0.0370 0.0230 0.0202 350 TRP B CA 2709 C C . TRP B 21 ? 0.3474 0.4516 0.4198 -0.0346 0.0239 0.0192 350 TRP B C 2710 O O . TRP B 21 ? 0.3159 0.4229 0.3892 -0.0311 0.0251 0.0172 350 TRP B O 2711 C CB . TRP B 21 ? 0.2957 0.3946 0.3732 -0.0363 0.0200 0.0197 350 TRP B CB 2712 C CG . TRP B 21 ? 0.2839 0.3855 0.3670 -0.0362 0.0191 0.0193 350 TRP B CG 2713 C CD1 . TRP B 21 ? 0.2755 0.3855 0.3635 -0.0352 0.0204 0.0188 350 TRP B CD1 2714 C CD2 . TRP B 21 ? 0.2582 0.3546 0.3423 -0.0368 0.0165 0.0194 350 TRP B CD2 2715 N NE1 . TRP B 21 ? 0.3388 0.4490 0.4307 -0.0353 0.0188 0.0186 350 TRP B NE1 2716 C CE2 . TRP B 21 ? 0.2844 0.3860 0.3739 -0.0364 0.0164 0.0190 350 TRP B CE2 2717 C CE3 . TRP B 21 ? 0.2323 0.3203 0.3130 -0.0373 0.0143 0.0198 350 TRP B CE3 2718 C CZ2 . TRP B 21 ? 0.2198 0.3182 0.3112 -0.0369 0.0143 0.0189 350 TRP B CZ2 2719 C CZ3 . TRP B 21 ? 0.2891 0.3742 0.3719 -0.0376 0.0124 0.0197 350 TRP B CZ3 2720 C CH2 . TRP B 21 ? 0.2635 0.3535 0.3515 -0.0376 0.0124 0.0192 350 TRP B CH2 2721 N N . TYR B 22 ? 0.3002 0.3990 0.3670 -0.0364 0.0233 0.0206 351 TYR B N 2722 C CA . TYR B 22 ? 0.3232 0.4201 0.3849 -0.0344 0.0239 0.0197 351 TYR B CA 2723 C C . TYR B 22 ? 0.3768 0.4750 0.4339 -0.0373 0.0258 0.0220 351 TYR B C 2724 O O . TYR B 22 ? 0.4189 0.5151 0.4747 -0.0411 0.0257 0.0245 351 TYR B O 2725 C CB . TYR B 22 ? 0.3267 0.4160 0.3850 -0.0331 0.0211 0.0191 351 TYR B CB 2726 C CG . TYR B 22 ? 0.3327 0.4190 0.3948 -0.0322 0.0186 0.0181 351 TYR B CG 2727 C CD1 . TYR B 22 ? 0.2833 0.3717 0.3496 -0.0298 0.0187 0.0158 351 TYR B CD1 2728 C CD2 . TYR B 22 ? 0.3250 0.4060 0.3858 -0.0336 0.0164 0.0196 351 TYR B CD2 2729 C CE1 . TYR B 22 ? 0.2745 0.3602 0.3439 -0.0292 0.0167 0.0150 351 TYR B CE1 2730 C CE2 . TYR B 22 ? 0.2824 0.3610 0.3466 -0.0328 0.0144 0.0187 351 TYR B CE2 2731 C CZ . TYR B 22 ? 0.2832 0.3645 0.3518 -0.0308 0.0145 0.0165 351 TYR B CZ 2732 O OH . TYR B 22 ? 0.2494 0.3282 0.3209 -0.0301 0.0126 0.0157 351 TYR B OH 2733 N N . GLY B 23 ? 0.2909 0.3915 0.3447 -0.0357 0.0277 0.0212 352 GLY B N 2734 C CA . GLY B 23 ? 0.2832 0.3844 0.3318 -0.0384 0.0296 0.0234 352 GLY B CA 2735 C C . GLY B 23 ? 0.2680 0.3722 0.3130 -0.0364 0.0318 0.0223 352 GLY B C 2736 O O . GLY B 23 ? 0.3141 0.4167 0.3581 -0.0329 0.0310 0.0197 352 GLY B O 2737 N N . TYR B 24 ? 0.3662 0.4748 0.4088 -0.0389 0.0346 0.0241 353 TYR B N 2738 C CA . TYR B 24 ? 0.3310 0.4413 0.3684 -0.0374 0.0367 0.0235 353 TYR B CA 2739 C C . TYR B 24 ? 0.3621 0.4827 0.4019 -0.0378 0.0407 0.0233 353 TYR B C 2740 O O . TYR B 24 ? 0.4177 0.5444 0.4619 -0.0407 0.0421 0.0248 353 TYR B O 2741 C CB . TYR B 24 ? 0.3685 0.4728 0.3977 -0.0399 0.0363 0.0261 353 TYR B CB 2742 C CG . TYR B 24 ? 0.3187 0.4135 0.3450 -0.0400 0.0326 0.0271 353 TYR B CG 2743 C CD1 . TYR B 24 ? 0.3809 0.4716 0.4078 -0.0433 0.0315 0.0296 353 TYR B CD1 2744 C CD2 . TYR B 24 ? 0.3797 0.4698 0.4021 -0.0367 0.0303 0.0256 353 TYR B CD2 2745 C CE1 . TYR B 24 ? 0.3672 0.4491 0.3908 -0.0426 0.0283 0.0305 353 TYR B CE1 2746 C CE2 . TYR B 24 ? 0.3511 0.4338 0.3710 -0.0363 0.0270 0.0266 353 TYR B CE2 2747 C CZ . TYR B 24 ? 0.3782 0.4568 0.3986 -0.0389 0.0260 0.0290 353 TYR B CZ 2748 O OH . TYR B 24 ? 0.4454 0.5165 0.4629 -0.0377 0.0229 0.0299 353 TYR B OH 2749 N N . HIS B 25 ? 0.3894 0.5123 0.4261 -0.0347 0.0425 0.0215 354 HIS B N 2750 C CA . HIS B 25 ? 0.3684 0.5007 0.4051 -0.0348 0.0466 0.0216 354 HIS B CA 2751 C C . HIS B 25 ? 0.4089 0.5384 0.4371 -0.0353 0.0478 0.0224 354 HIS B C 2752 O O . HIS B 25 ? 0.4183 0.5424 0.4420 -0.0322 0.0465 0.0203 354 HIS B O 2753 C CB . HIS B 25 ? 0.3641 0.5023 0.4049 -0.0296 0.0481 0.0184 354 HIS B CB 2754 C CG . HIS B 25 ? 0.4380 0.5868 0.4791 -0.0289 0.0525 0.0183 354 HIS B CG 2755 N ND1 . HIS B 25 ? 0.4488 0.6085 0.4960 -0.0309 0.0547 0.0197 354 HIS B ND1 2756 C CD2 . HIS B 25 ? 0.4459 0.5969 0.4821 -0.0262 0.0551 0.0169 354 HIS B CD2 2757 C CE1 . HIS B 25 ? 0.4226 0.5913 0.4688 -0.0294 0.0585 0.0192 354 HIS B CE1 2758 N NE2 . HIS B 25 ? 0.4542 0.6173 0.4936 -0.0264 0.0589 0.0175 354 HIS B NE2 2759 N N . HIS B 26 ? 0.4295 0.5623 0.4549 -0.0395 0.0502 0.0253 355 HIS B N 2760 C CA . HIS B 26 ? 0.4007 0.5309 0.4172 -0.0401 0.0515 0.0263 355 HIS B CA 2761 C C . HIS B 26 ? 0.4457 0.5864 0.4622 -0.0399 0.0562 0.0260 355 HIS B C 2762 O O . HIS B 26 ? 0.4327 0.5831 0.4555 -0.0411 0.0585 0.0263 355 HIS B O 2763 C CB . HIS B 26 ? 0.3836 0.5071 0.3946 -0.0452 0.0507 0.0303 355 HIS B CB 2764 C CG . HIS B 26 ? 0.5181 0.6478 0.5305 -0.0508 0.0537 0.0331 355 HIS B CG 2765 N ND1 . HIS B 26 ? 0.4967 0.6271 0.5145 -0.0545 0.0529 0.0345 355 HIS B ND1 2766 C CD2 . HIS B 26 ? 0.5122 0.6481 0.5213 -0.0538 0.0577 0.0348 355 HIS B CD2 2767 C CE1 . HIS B 26 ? 0.5757 0.7127 0.5935 -0.0599 0.0562 0.0368 355 HIS B CE1 2768 N NE2 . HIS B 26 ? 0.5630 0.7036 0.5756 -0.0596 0.0592 0.0371 355 HIS B NE2 2769 N N . GLU B 27 ? 0.5215 0.6607 0.5306 -0.0383 0.0575 0.0255 356 GLU B N 2770 C CA . GLU B 27 ? 0.5836 0.7324 0.5915 -0.0378 0.0621 0.0252 356 GLU B CA 2771 C C . GLU B 27 ? 0.5476 0.6926 0.5453 -0.0395 0.0633 0.0269 356 GLU B C 2772 O O . GLU B 27 ? 0.5629 0.7015 0.5547 -0.0364 0.0616 0.0252 356 GLU B O 2773 C CB . GLU B 27 ? 0.5859 0.7386 0.5964 -0.0314 0.0630 0.0209 356 GLU B CB 2774 C CG . GLU B 27 ? 0.7343 0.8980 0.7445 -0.0297 0.0679 0.0200 356 GLU B CG 2775 C CD . GLU B 27 ? 0.8635 1.0289 0.8753 -0.0227 0.0686 0.0157 356 GLU B CD 2776 O OE1 . GLU B 27 ? 0.7993 0.9607 0.8156 -0.0202 0.0658 0.0139 356 GLU B OE1 2777 O OE2 . GLU B 27 ? 0.9468 1.1170 0.9548 -0.0197 0.0719 0.0141 356 GLU B OE2 2778 N N . ASN B 28 ? 0.4617 0.6107 0.4572 -0.0446 0.0662 0.0303 357 ASN B N 2779 C CA . ASN B 28 ? 0.4642 0.6101 0.4495 -0.0465 0.0679 0.0323 357 ASN B CA 2780 C C . ASN B 28 ? 0.4731 0.6301 0.4581 -0.0500 0.0732 0.0340 357 ASN B C 2781 O O . ASN B 28 ? 0.5142 0.6830 0.5072 -0.0495 0.0757 0.0327 357 ASN B O 2782 C CB . ASN B 28 ? 0.3791 0.5129 0.3578 -0.0500 0.0649 0.0357 357 ASN B CB 2783 C CG . ASN B 28 ? 0.3915 0.5252 0.3733 -0.0562 0.0652 0.0390 357 ASN B CG 2784 O OD1 . ASN B 28 ? 0.4657 0.6097 0.4543 -0.0588 0.0679 0.0391 357 ASN B OD1 2785 N ND2 . ASN B 28 ? 0.4280 0.5499 0.4041 -0.0586 0.0624 0.0418 357 ASN B ND2 2786 N N . SER B 29 ? 0.5188 0.6727 0.4946 -0.0535 0.0750 0.0370 358 SER B N 2787 C CA . SER B 29 ? 0.6038 0.7682 0.5784 -0.0574 0.0803 0.0387 358 SER B CA 2788 C C . SER B 29 ? 0.6103 0.7830 0.5925 -0.0634 0.0820 0.0407 358 SER B C 2789 O O . SER B 29 ? 0.5896 0.7764 0.5764 -0.0647 0.0862 0.0404 358 SER B O 2790 C CB . SER B 29 ? 0.5701 0.7274 0.5324 -0.0609 0.0816 0.0421 358 SER B CB 2791 O OG . SER B 29 ? 0.6104 0.7627 0.5657 -0.0556 0.0805 0.0401 358 SER B OG 2792 N N . GLN B 30 ? 0.4626 0.6269 0.4461 -0.0669 0.0788 0.0426 359 GLN B N 2793 C CA . GLN B 30 ? 0.3979 0.5688 0.3880 -0.0731 0.0799 0.0443 359 GLN B CA 2794 C C . GLN B 30 ? 0.4345 0.6161 0.4371 -0.0693 0.0793 0.0411 359 GLN B C 2795 O O . GLN B 30 ? 0.4418 0.6313 0.4512 -0.0738 0.0801 0.0419 359 GLN B O 2796 C CB . GLN B 30 ? 0.4251 0.5821 0.4111 -0.0780 0.0767 0.0474 359 GLN B CB 2797 C CG . GLN B 30 ? 0.4638 0.6133 0.4384 -0.0848 0.0787 0.0517 359 GLN B CG 2798 C CD . GLN B 30 ? 0.5214 0.6677 0.4862 -0.0819 0.0802 0.0521 359 GLN B CD 2799 O OE1 . GLN B 30 ? 0.4536 0.6105 0.4176 -0.0828 0.0846 0.0520 359 GLN B OE1 2800 N NE2 . GLN B 30 ? 0.5021 0.6343 0.4593 -0.0782 0.0766 0.0524 359 GLN B NE2 2801 N N . GLY B 31 ? 0.4301 0.6117 0.4351 -0.0614 0.0778 0.0374 360 GLY B N 2802 C CA . GLY B 31 ? 0.4052 0.5959 0.4208 -0.0570 0.0774 0.0343 360 GLY B CA 2803 C C . GLY B 31 ? 0.4365 0.6178 0.4554 -0.0529 0.0725 0.0323 360 GLY B C 2804 O O . GLY B 31 ? 0.4850 0.6534 0.4979 -0.0512 0.0694 0.0321 360 GLY B O 2805 N N . SER B 32 ? 0.4803 0.6687 0.5088 -0.0515 0.0718 0.0309 361 SER B N 2806 C CA . SER B 32 ? 0.3299 0.5115 0.3626 -0.0472 0.0677 0.0287 361 SER B CA 2807 C C . SER B 32 ? 0.4075 0.5887 0.4461 -0.0516 0.0654 0.0303 361 SER B C 2808 O O . SER B 32 ? 0.4575 0.6470 0.4991 -0.0572 0.0674 0.0323 361 SER B O 2809 C CB . SER B 32 ? 0.3504 0.5397 0.3884 -0.0399 0.0687 0.0250 361 SER B CB 2810 O OG . SER B 32 ? 0.6052 0.7939 0.6372 -0.0355 0.0707 0.0231 361 SER B OG 2811 N N . GLY B 33 ? 0.4366 0.6086 0.4770 -0.0492 0.0613 0.0291 362 GLY B N 2812 C CA . GLY B 33 ? 0.4228 0.5937 0.4686 -0.0526 0.0589 0.0302 362 GLY B CA 2813 C C . GLY B 33 ? 0.4623 0.6223 0.5090 -0.0494 0.0545 0.0288 362 GLY B C 2814 O O . GLY B 33 ? 0.4533 0.6040 0.4949 -0.0461 0.0527 0.0277 362 GLY B O 2815 N N . TYR B 34 ? 0.5050 0.6669 0.5584 -0.0506 0.0527 0.0287 363 TYR B N 2816 C CA . TYR B 34 ? 0.4243 0.5764 0.4789 -0.0485 0.0486 0.0278 363 TYR B CA 2817 C C . TYR B 34 ? 0.4601 0.6035 0.5118 -0.0542 0.0465 0.0305 363 TYR B C 2818 O O . TYR B 34 ? 0.4731 0.6207 0.5255 -0.0601 0.0479 0.0327 363 TYR B O 2819 C CB . TYR B 34 ? 0.3636 0.5223 0.4269 -0.0453 0.0478 0.0258 363 TYR B CB 2820 C CG . TYR B 34 ? 0.4209 0.5856 0.4861 -0.0385 0.0495 0.0228 363 TYR B CG 2821 C CD1 . TYR B 34 ? 0.3859 0.5422 0.4487 -0.0332 0.0477 0.0203 363 TYR B CD1 2822 C CD2 . TYR B 34 ? 0.4084 0.5869 0.4775 -0.0374 0.0530 0.0225 363 TYR B CD2 2823 C CE1 . TYR B 34 ? 0.3397 0.4997 0.4031 -0.0271 0.0493 0.0176 363 TYR B CE1 2824 C CE2 . TYR B 34 ? 0.3758 0.5588 0.4458 -0.0306 0.0546 0.0198 363 TYR B CE2 2825 C CZ . TYR B 34 ? 0.3802 0.5531 0.4469 -0.0255 0.0528 0.0173 363 TYR B CZ 2826 O OH . TYR B 34 ? 0.4236 0.5991 0.4899 -0.0188 0.0545 0.0145 363 TYR B OH 2827 N N . ALA B 35 ? 0.4136 0.5451 0.4618 -0.0525 0.0431 0.0303 364 ALA B N 2828 C CA . ALA B 35 ? 0.3986 0.5211 0.4441 -0.0567 0.0409 0.0325 364 ALA B CA 2829 C C . ALA B 35 ? 0.3800 0.4943 0.4268 -0.0532 0.0370 0.0310 364 ALA B C 2830 O O . ALA B 35 ? 0.3454 0.4557 0.3902 -0.0486 0.0356 0.0293 364 ALA B O 2831 C CB . ALA B 35 ? 0.3070 0.4217 0.3428 -0.0598 0.0415 0.0352 364 ALA B CB 2832 N N . ALA B 36 ? 0.4416 0.5537 0.4918 -0.0555 0.0352 0.0316 365 ALA B N 2833 C CA . ALA B 36 ? 0.4177 0.5222 0.4690 -0.0526 0.0316 0.0304 365 ALA B CA 2834 C C . ALA B 36 ? 0.3922 0.4849 0.4353 -0.0526 0.0297 0.0319 365 ALA B C 2835 O O . ALA B 36 ? 0.4677 0.5560 0.5046 -0.0565 0.0307 0.0346 365 ALA B O 2836 C CB . ALA B 36 ? 0.4591 0.5648 0.5158 -0.0551 0.0304 0.0306 365 ALA B CB 2837 N N . ASP B 37 ? 0.4275 0.5153 0.4702 -0.0482 0.0271 0.0302 366 ASP B N 2838 C CA . ASP B 37 ? 0.4297 0.5070 0.4660 -0.0475 0.0246 0.0315 366 ASP B CA 2839 C C . ASP B 37 ? 0.4102 0.4829 0.4487 -0.0492 0.0227 0.0321 366 ASP B C 2840 O O . ASP B 37 ? 0.4321 0.5066 0.4765 -0.0470 0.0211 0.0301 366 ASP B O 2841 C CB . ASP B 37 ? 0.4399 0.5154 0.4752 -0.0424 0.0226 0.0293 366 ASP B CB 2842 C CG . ASP B 37 ? 0.4645 0.5310 0.4928 -0.0412 0.0202 0.0308 366 ASP B CG 2843 O OD1 . ASP B 37 ? 0.5127 0.5765 0.5337 -0.0412 0.0209 0.0323 366 ASP B OD1 2844 O OD2 . ASP B 37 ? 0.4946 0.5567 0.5242 -0.0398 0.0176 0.0304 366 ASP B OD2 2845 N N . ARG B 38 ? 0.5017 0.5680 0.5349 -0.0533 0.0229 0.0349 367 ARG B N 2846 C CA . ARG B 38 ? 0.5760 0.6383 0.6109 -0.0558 0.0215 0.0355 367 ARG B CA 2847 C C . ARG B 38 ? 0.5579 0.6114 0.5905 -0.0522 0.0183 0.0351 367 ARG B C 2848 O O . ARG B 38 ? 0.5603 0.6126 0.5967 -0.0524 0.0167 0.0343 367 ARG B O 2849 C CB . ARG B 38 ? 0.6377 0.6953 0.6667 -0.0621 0.0232 0.0385 367 ARG B CB 2850 C CG . ARG B 38 ? 0.8816 0.9430 0.9160 -0.0667 0.0235 0.0383 367 ARG B CG 2851 C CD . ARG B 38 ? 0.9851 1.0607 1.0296 -0.0653 0.0246 0.0360 367 ARG B CD 2852 N NE . ARG B 38 ? 1.0350 1.1159 1.0864 -0.0676 0.0241 0.0351 367 ARG B NE 2853 C CZ . ARG B 38 ? 1.0777 1.1702 1.1376 -0.0657 0.0247 0.0331 367 ARG B CZ 2854 N NH1 . ARG B 38 ? 1.0317 1.1305 1.0938 -0.0615 0.0260 0.0317 367 ARG B NH1 2855 N NH2 . ARG B 38 ? 1.0563 1.1538 1.1220 -0.0676 0.0240 0.0324 367 ARG B NH2 2856 N N . GLU B 39 ? 0.4225 0.4709 0.4492 -0.0488 0.0172 0.0355 368 GLU B N 2857 C CA . GLU B 39 ? 0.4475 0.4890 0.4719 -0.0448 0.0141 0.0351 368 GLU B CA 2858 C C . GLU B 39 ? 0.4638 0.5112 0.4964 -0.0414 0.0125 0.0319 368 GLU B C 2859 O O . GLU B 39 ? 0.4179 0.4625 0.4528 -0.0404 0.0106 0.0312 368 GLU B O 2860 C CB . GLU B 39 ? 0.4733 0.5100 0.4897 -0.0417 0.0133 0.0362 368 GLU B CB 2861 C CG . GLU B 39 ? 0.6208 0.6520 0.6347 -0.0369 0.0101 0.0358 368 GLU B CG 2862 C CD . GLU B 39 ? 0.8345 0.8636 0.8414 -0.0331 0.0092 0.0366 368 GLU B CD 2863 O OE1 . GLU B 39 ? 0.8777 0.9077 0.8804 -0.0345 0.0110 0.0378 368 GLU B OE1 2864 O OE2 . GLU B 39 ? 0.7639 0.7910 0.7695 -0.0287 0.0065 0.0360 368 GLU B OE2 2865 N N . SER B 40 ? 0.4108 0.4658 0.4471 -0.0396 0.0134 0.0299 369 SER B N 2866 C CA . SER B 40 ? 0.4148 0.4739 0.4574 -0.0366 0.0121 0.0269 369 SER B CA 2867 C C . SER B 40 ? 0.3972 0.4609 0.4472 -0.0384 0.0128 0.0259 369 SER B C 2868 O O . SER B 40 ? 0.3726 0.4366 0.4269 -0.0367 0.0113 0.0242 369 SER B O 2869 C CB . SER B 40 ? 0.3573 0.4214 0.4001 -0.0343 0.0128 0.0249 369 SER B CB 2870 O OG . SER B 40 ? 0.4458 0.5160 0.4908 -0.0360 0.0156 0.0247 369 SER B OG 2871 N N . THR B 41 ? 0.3247 0.3923 0.3758 -0.0417 0.0152 0.0270 370 THR B N 2872 C CA . THR B 41 ? 0.3444 0.4172 0.4022 -0.0434 0.0157 0.0263 370 THR B CA 2873 C C . THR B 41 ? 0.3493 0.4164 0.4071 -0.0452 0.0139 0.0272 370 THR B C 2874 O O . THR B 41 ? 0.3243 0.3931 0.3873 -0.0442 0.0128 0.0258 370 THR B O 2875 C CB . THR B 41 ? 0.3486 0.4282 0.4077 -0.0470 0.0187 0.0274 370 THR B CB 2876 O OG1 . THR B 41 ? 0.3263 0.4121 0.3864 -0.0446 0.0205 0.0261 370 THR B OG1 2877 C CG2 . THR B 41 ? 0.3656 0.4509 0.4312 -0.0490 0.0189 0.0271 370 THR B CG2 2878 N N . GLN B 42 ? 0.3663 0.4259 0.4177 -0.0477 0.0136 0.0296 371 GLN B N 2879 C CA . GLN B 42 ? 0.3385 0.3913 0.3883 -0.0496 0.0121 0.0304 371 GLN B CA 2880 C C . GLN B 42 ? 0.3936 0.4419 0.4437 -0.0452 0.0094 0.0291 371 GLN B C 2881 O O . GLN B 42 ? 0.3722 0.4191 0.4252 -0.0454 0.0081 0.0284 371 GLN B O 2882 C CB . GLN B 42 ? 0.3161 0.3602 0.3572 -0.0531 0.0127 0.0333 371 GLN B CB 2883 C CG . GLN B 42 ? 0.3472 0.3837 0.3858 -0.0561 0.0115 0.0341 371 GLN B CG 2884 C CD . GLN B 42 ? 0.4399 0.4838 0.4853 -0.0602 0.0123 0.0333 371 GLN B CD 2885 O OE1 . GLN B 42 ? 0.5101 0.5618 0.5581 -0.0637 0.0145 0.0338 371 GLN B OE1 2886 N NE2 . GLN B 42 ? 0.4254 0.4678 0.4740 -0.0594 0.0104 0.0322 371 GLN B NE2 2887 N N . LYS B 43 ? 0.3044 0.3510 0.3514 -0.0415 0.0086 0.0287 372 LYS B N 2888 C CA . LYS B 43 ? 0.2972 0.3415 0.3449 -0.0373 0.0062 0.0273 372 LYS B CA 2889 C C . LYS B 43 ? 0.3744 0.4252 0.4303 -0.0362 0.0058 0.0247 372 LYS B C 2890 O O . LYS B 43 ? 0.3070 0.3557 0.3648 -0.0349 0.0042 0.0239 372 LYS B O 2891 C CB . LYS B 43 ? 0.3462 0.3901 0.3898 -0.0339 0.0055 0.0271 372 LYS B CB 2892 C CG . LYS B 43 ? 0.4507 0.4938 0.4950 -0.0297 0.0031 0.0256 372 LYS B CG 2893 C CD . LYS B 43 ? 0.4791 0.5227 0.5190 -0.0266 0.0022 0.0256 372 LYS B CD 2894 C CE . LYS B 43 ? 0.5116 0.5575 0.5536 -0.0229 -0.0001 0.0236 372 LYS B CE 2895 N NZ . LYS B 43 ? 0.6119 0.6601 0.6502 -0.0201 -0.0011 0.0232 372 LYS B NZ 2896 N N . ALA B 44 ? 0.3465 0.4045 0.4065 -0.0365 0.0075 0.0236 373 ALA B N 2897 C CA . ALA B 44 ? 0.3009 0.3640 0.3675 -0.0352 0.0075 0.0213 373 ALA B CA 2898 C C . ALA B 44 ? 0.3541 0.4180 0.4245 -0.0375 0.0074 0.0217 373 ALA B C 2899 O O . ALA B 44 ? 0.3987 0.4629 0.4728 -0.0362 0.0062 0.0203 373 ALA B O 2900 C CB . ALA B 44 ? 0.3059 0.3753 0.3747 -0.0345 0.0094 0.0201 373 ALA B CB 2901 N N . ILE B 45 ? 0.3159 0.3805 0.3853 -0.0412 0.0087 0.0234 374 ILE B N 2902 C CA . ILE B 45 ? 0.2888 0.3549 0.3614 -0.0440 0.0085 0.0238 374 ILE B CA 2903 C C . ILE B 45 ? 0.3190 0.3774 0.3895 -0.0438 0.0063 0.0239 374 ILE B C 2904 O O . ILE B 45 ? 0.3307 0.3905 0.4052 -0.0437 0.0053 0.0230 374 ILE B O 2905 C CB . ILE B 45 ? 0.3485 0.4165 0.4194 -0.0489 0.0102 0.0257 374 ILE B CB 2906 C CG1 . ILE B 45 ? 0.3524 0.4300 0.4267 -0.0490 0.0126 0.0253 374 ILE B CG1 2907 C CG2 . ILE B 45 ? 0.2719 0.3404 0.3452 -0.0525 0.0096 0.0260 374 ILE B CG2 2908 C CD1 . ILE B 45 ? 0.2571 0.3385 0.3303 -0.0542 0.0146 0.0271 374 ILE B CD1 2909 N N . ASP B 46 ? 0.3146 0.3651 0.3786 -0.0431 0.0054 0.0250 375 ASP B N 2910 C CA . ASP B 46 ? 0.3446 0.3875 0.4058 -0.0422 0.0034 0.0252 375 ASP B CA 2911 C C . ASP B 46 ? 0.3440 0.3887 0.4091 -0.0382 0.0019 0.0231 375 ASP B C 2912 O O . ASP B 46 ? 0.3435 0.3867 0.4106 -0.0381 0.0008 0.0224 375 ASP B O 2913 C CB . ASP B 46 ? 0.3166 0.3505 0.3692 -0.0415 0.0029 0.0269 375 ASP B CB 2914 C CG . ASP B 46 ? 0.5028 0.5328 0.5501 -0.0462 0.0044 0.0293 375 ASP B CG 2915 O OD1 . ASP B 46 ? 0.4615 0.4946 0.5115 -0.0506 0.0054 0.0295 375 ASP B OD1 2916 O OD2 . ASP B 46 ? 0.5414 0.5654 0.5814 -0.0456 0.0047 0.0309 375 ASP B OD2 2917 N N . GLY B 47 ? 0.3054 0.3533 0.3714 -0.0352 0.0020 0.0220 376 GLY B N 2918 C CA . GLY B 47 ? 0.2731 0.3233 0.3425 -0.0321 0.0009 0.0199 376 GLY B CA 2919 C C . GLY B 47 ? 0.3201 0.3748 0.3957 -0.0326 0.0012 0.0185 376 GLY B C 2920 O O . GLY B 47 ? 0.3243 0.3780 0.4018 -0.0315 0.0000 0.0176 376 GLY B O 2921 N N . ILE B 48 ? 0.3443 0.4041 0.4226 -0.0340 0.0028 0.0185 377 ILE B N 2922 C CA . ILE B 48 ? 0.3357 0.4001 0.4194 -0.0338 0.0032 0.0173 377 ILE B CA 2923 C C . ILE B 48 ? 0.3110 0.3746 0.3962 -0.0360 0.0025 0.0181 377 ILE B C 2924 O O . ILE B 48 ? 0.3478 0.4124 0.4362 -0.0351 0.0018 0.0171 377 ILE B O 2925 C CB . ILE B 48 ? 0.3586 0.4292 0.4445 -0.0339 0.0053 0.0171 377 ILE B CB 2926 C CG1 . ILE B 48 ? 0.3646 0.4355 0.4493 -0.0313 0.0058 0.0156 377 ILE B CG1 2927 C CG2 . ILE B 48 ? 0.3104 0.3859 0.4011 -0.0336 0.0057 0.0165 377 ILE B CG2 2928 C CD1 . ILE B 48 ? 0.4663 0.5419 0.5514 -0.0310 0.0079 0.0154 377 ILE B CD1 2929 N N . THR B 49 ? 0.2617 0.3227 0.3439 -0.0392 0.0026 0.0198 378 THR B N 2930 C CA . THR B 49 ? 0.2876 0.3466 0.3699 -0.0419 0.0018 0.0204 378 THR B CA 2931 C C . THR B 49 ? 0.3116 0.3642 0.3920 -0.0401 -0.0001 0.0198 378 THR B C 2932 O O . THR B 49 ? 0.3249 0.3775 0.4074 -0.0406 -0.0011 0.0192 378 THR B O 2933 C CB . THR B 49 ? 0.3330 0.3889 0.4108 -0.0463 0.0024 0.0223 378 THR B CB 2934 O OG1 . THR B 49 ? 0.2978 0.3611 0.3780 -0.0485 0.0043 0.0228 378 THR B OG1 2935 C CG2 . THR B 49 ? 0.2643 0.3168 0.3412 -0.0497 0.0013 0.0226 378 THR B CG2 2936 N N . ASN B 50 ? 0.3100 0.3578 0.3865 -0.0378 -0.0007 0.0199 379 ASN B N 2937 C CA . ASN B 50 ? 0.2854 0.3283 0.3601 -0.0353 -0.0023 0.0192 379 ASN B CA 2938 C C . ASN B 50 ? 0.3171 0.3643 0.3969 -0.0331 -0.0027 0.0173 379 ASN B C 2939 O O . ASN B 50 ? 0.3056 0.3508 0.3860 -0.0324 -0.0038 0.0167 379 ASN B O 2940 C CB . ASN B 50 ? 0.3380 0.3767 0.4078 -0.0328 -0.0028 0.0197 379 ASN B CB 2941 C CG . ASN B 50 ? 0.4337 0.4666 0.5003 -0.0303 -0.0044 0.0195 379 ASN B CG 2942 O OD1 . ASN B 50 ? 0.4938 0.5193 0.5550 -0.0312 -0.0048 0.0207 379 ASN B OD1 2943 N ND2 . ASN B 50 ? 0.3586 0.3946 0.4281 -0.0274 -0.0051 0.0178 379 ASN B ND2 2944 N N . LYS B 51 ? 0.2934 0.3459 0.3762 -0.0320 -0.0017 0.0164 380 LYS B N 2945 C CA . LYS B 51 ? 0.3049 0.3603 0.3914 -0.0302 -0.0018 0.0147 380 LYS B CA 2946 C C . LYS B 51 ? 0.3604 0.4179 0.4504 -0.0312 -0.0018 0.0145 380 LYS B C 2947 O O . LYS B 51 ? 0.3063 0.3629 0.3975 -0.0302 -0.0026 0.0137 380 LYS B O 2948 C CB . LYS B 51 ? 0.3169 0.3761 0.4045 -0.0291 -0.0006 0.0137 380 LYS B CB 2949 C CG . LYS B 51 ? 0.3760 0.4370 0.4664 -0.0277 -0.0003 0.0120 380 LYS B CG 2950 C CD . LYS B 51 ? 0.3480 0.4117 0.4388 -0.0270 0.0012 0.0110 380 LYS B CD 2951 C CE . LYS B 51 ? 0.3903 0.4535 0.4784 -0.0264 0.0011 0.0103 380 LYS B CE 2952 N NZ . LYS B 51 ? 0.4196 0.4841 0.5075 -0.0257 0.0023 0.0086 380 LYS B NZ 2953 N N . VAL B 52 ? 0.3048 0.3658 0.3963 -0.0331 -0.0009 0.0154 381 VAL B N 2954 C CA . VAL B 52 ? 0.3058 0.3700 0.4005 -0.0341 -0.0011 0.0154 381 VAL B CA 2955 C C . VAL B 52 ? 0.3073 0.3672 0.4006 -0.0354 -0.0026 0.0156 381 VAL B C 2956 O O . VAL B 52 ? 0.3215 0.3817 0.4166 -0.0345 -0.0034 0.0149 381 VAL B O 2957 C CB . VAL B 52 ? 0.3140 0.3839 0.4103 -0.0364 0.0001 0.0164 381 VAL B CB 2958 C CG1 . VAL B 52 ? 0.2543 0.3282 0.3537 -0.0378 -0.0005 0.0165 381 VAL B CG1 2959 C CG2 . VAL B 52 ? 0.2187 0.2935 0.3168 -0.0344 0.0018 0.0159 381 VAL B CG2 2960 N N . ASN B 53 ? 0.3221 0.3772 0.4113 -0.0375 -0.0031 0.0167 382 ASN B N 2961 C CA . ASN B 53 ? 0.3646 0.4141 0.4510 -0.0388 -0.0044 0.0168 382 ASN B CA 2962 C C . ASN B 53 ? 0.3457 0.3915 0.4312 -0.0356 -0.0055 0.0158 382 ASN B C 2963 O O . ASN B 53 ? 0.4058 0.4493 0.4909 -0.0359 -0.0065 0.0153 382 ASN B O 2964 C CB . ASN B 53 ? 0.3447 0.3881 0.4255 -0.0414 -0.0044 0.0182 382 ASN B CB 2965 C CG . ASN B 53 ? 0.4051 0.4521 0.4864 -0.0458 -0.0034 0.0193 382 ASN B CG 2966 O OD1 . ASN B 53 ? 0.4007 0.4552 0.4868 -0.0470 -0.0031 0.0190 382 ASN B OD1 2967 N ND2 . ASN B 53 ? 0.3901 0.4321 0.4662 -0.0482 -0.0029 0.0207 382 ASN B ND2 2968 N N . SER B 54 ? 0.3387 0.3845 0.4239 -0.0329 -0.0052 0.0152 383 SER B N 2969 C CA . SER B 54 ? 0.3539 0.3978 0.4386 -0.0301 -0.0060 0.0141 383 SER B CA 2970 C C . SER B 54 ? 0.3414 0.3889 0.4302 -0.0294 -0.0060 0.0130 383 SER B C 2971 O O . SER B 54 ? 0.3734 0.4192 0.4620 -0.0285 -0.0067 0.0123 383 SER B O 2972 C CB . SER B 54 ? 0.3219 0.3663 0.4054 -0.0277 -0.0058 0.0137 383 SER B CB 2973 O OG . SER B 54 ? 0.3413 0.3813 0.4200 -0.0276 -0.0061 0.0149 383 SER B OG 2974 N N . ILE B 55 ? 0.2737 0.3259 0.3656 -0.0296 -0.0049 0.0128 384 ILE B N 2975 C CA . ILE B 55 ? 0.3017 0.3564 0.3966 -0.0287 -0.0047 0.0120 384 ILE B CA 2976 C C . ILE B 55 ? 0.3130 0.3678 0.4087 -0.0300 -0.0055 0.0124 384 ILE B C 2977 O O . ILE B 55 ? 0.3296 0.3835 0.4257 -0.0292 -0.0061 0.0118 384 ILE B O 2978 C CB . ILE B 55 ? 0.3331 0.3919 0.4301 -0.0282 -0.0033 0.0118 384 ILE B CB 2979 C CG1 . ILE B 55 ? 0.2269 0.2855 0.3226 -0.0272 -0.0025 0.0111 384 ILE B CG1 2980 C CG2 . ILE B 55 ? 0.2686 0.3288 0.3676 -0.0268 -0.0030 0.0112 384 ILE B CG2 2981 C CD1 . ILE B 55 ? 0.2521 0.3138 0.3489 -0.0266 -0.0010 0.0108 384 ILE B CD1 2982 N N . ILE B 56 ? 0.3063 0.3622 0.4019 -0.0324 -0.0056 0.0134 385 ILE B N 2983 C CA . ILE B 56 ? 0.2766 0.3332 0.3727 -0.0343 -0.0066 0.0137 385 ILE B CA 2984 C C . ILE B 56 ? 0.3543 0.4049 0.4472 -0.0345 -0.0079 0.0133 385 ILE B C 2985 O O . ILE B 56 ? 0.3903 0.4409 0.4837 -0.0345 -0.0088 0.0129 385 ILE B O 2986 C CB . ILE B 56 ? 0.3241 0.3834 0.4202 -0.0378 -0.0064 0.0148 385 ILE B CB 2987 C CG1 . ILE B 56 ? 0.2807 0.3481 0.3810 -0.0372 -0.0052 0.0150 385 ILE B CG1 2988 C CG2 . ILE B 56 ? 0.2126 0.2707 0.3075 -0.0409 -0.0077 0.0150 385 ILE B CG2 2989 C CD1 . ILE B 56 ? 0.2298 0.3015 0.3306 -0.0407 -0.0045 0.0160 385 ILE B CD1 2990 N N . ASN B 57 ? 0.3989 0.4441 0.4879 -0.0342 -0.0080 0.0135 386 ASN B N 2991 C CA . ASN B 57 ? 0.4295 0.4686 0.5149 -0.0335 -0.0091 0.0130 386 ASN B CA 2992 C C . ASN B 57 ? 0.3714 0.4110 0.4579 -0.0306 -0.0092 0.0119 386 ASN B C 2993 O O . ASN B 57 ? 0.4213 0.4582 0.5063 -0.0303 -0.0101 0.0113 386 ASN B O 2994 C CB . ASN B 57 ? 0.4712 0.5043 0.5515 -0.0331 -0.0092 0.0136 386 ASN B CB 2995 C CG . ASN B 57 ? 0.6887 0.7189 0.7660 -0.0368 -0.0091 0.0148 386 ASN B CG 2996 O OD1 . ASN B 57 ? 0.6798 0.7123 0.7585 -0.0401 -0.0093 0.0150 386 ASN B OD1 2997 N ND2 . ASN B 57 ? 0.6805 0.7058 0.7533 -0.0364 -0.0088 0.0157 386 ASN B ND2 2998 N N . LYS B 58 ? 0.3829 0.4258 0.4717 -0.0287 -0.0084 0.0114 387 LYS B N 2999 C CA . LYS B 58 ? 0.4116 0.4551 0.5012 -0.0266 -0.0083 0.0103 387 LYS B CA 3000 C C . LYS B 58 ? 0.3908 0.4364 0.4827 -0.0269 -0.0082 0.0100 387 LYS B C 3001 O O . LYS B 58 ? 0.4097 0.4548 0.5015 -0.0258 -0.0083 0.0093 387 LYS B O 3002 C CB . LYS B 58 ? 0.3368 0.3831 0.4276 -0.0252 -0.0073 0.0097 387 LYS B CB 3003 C CG . LYS B 58 ? 0.3491 0.3942 0.4376 -0.0243 -0.0075 0.0099 387 LYS B CG 3004 C CD . LYS B 58 ? 0.3619 0.4025 0.4467 -0.0231 -0.0085 0.0100 387 LYS B CD 3005 C CE . LYS B 58 ? 0.3812 0.4198 0.4628 -0.0215 -0.0088 0.0105 387 LYS B CE 3006 N NZ . LYS B 58 ? 0.4044 0.4371 0.4812 -0.0199 -0.0097 0.0107 387 LYS B NZ 3007 N N . MET B 59 ? 0.3653 0.4136 0.4592 -0.0282 -0.0081 0.0107 388 MET B N 3008 C CA . MET B 59 ? 0.4224 0.4731 0.5181 -0.0279 -0.0082 0.0107 388 MET B CA 3009 C C . MET B 59 ? 0.4110 0.4613 0.5060 -0.0296 -0.0096 0.0110 388 MET B C 3010 O O . MET B 59 ? 0.4378 0.4912 0.5344 -0.0295 -0.0099 0.0112 388 MET B O 3011 C CB . MET B 59 ? 0.3753 0.4304 0.4737 -0.0276 -0.0072 0.0111 388 MET B CB 3012 C CG . MET B 59 ? 0.2531 0.3082 0.3516 -0.0261 -0.0058 0.0105 388 MET B CG 3013 S SD . MET B 59 ? 0.4481 0.5011 0.5458 -0.0244 -0.0053 0.0096 388 MET B SD 3014 C CE . MET B 59 ? 0.2923 0.3453 0.3897 -0.0236 -0.0036 0.0089 388 MET B CE 3015 N N . ASN B 60 ? 0.5400 0.5861 0.6320 -0.0309 -0.0103 0.0110 389 ASN B N 3016 C CA . ASN B 60 ? 0.5639 0.6088 0.6544 -0.0333 -0.0116 0.0111 389 ASN B CA 3017 C C . ASN B 60 ? 0.5622 0.6036 0.6503 -0.0324 -0.0125 0.0103 389 ASN B C 3018 O O . ASN B 60 ? 0.6474 0.6845 0.7320 -0.0340 -0.0135 0.0100 389 ASN B O 3019 C CB . ASN B 60 ? 0.5976 0.6384 0.6847 -0.0358 -0.0119 0.0116 389 ASN B CB 3020 C CG . ASN B 60 ? 0.8534 0.8940 0.9391 -0.0397 -0.0130 0.0118 389 ASN B CG 3021 O OD1 . ASN B 60 ? 0.8632 0.9102 0.9523 -0.0409 -0.0134 0.0119 389 ASN B OD1 3022 N ND2 . ASN B 60 ? 0.9834 1.0168 1.0638 -0.0417 -0.0136 0.0117 389 ASN B ND2 3023 N N . THR B 61 ? 0.4099 0.4526 0.4994 -0.0300 -0.0120 0.0098 390 THR B N 3024 C CA . THR B 61 ? 0.4722 0.5131 0.5599 -0.0292 -0.0126 0.0092 390 THR B CA 3025 C C . THR B 61 ? 0.4281 0.4733 0.5184 -0.0286 -0.0126 0.0096 390 THR B C 3026 O O . THR B 61 ? 0.4377 0.4866 0.5308 -0.0280 -0.0118 0.0101 390 THR B O 3027 C CB . THR B 61 ? 0.5163 0.5545 0.6024 -0.0269 -0.0119 0.0084 390 THR B CB 3028 O OG1 . THR B 61 ? 0.4302 0.4713 0.5189 -0.0256 -0.0105 0.0084 390 THR B OG1 3029 C CG2 . THR B 61 ? 0.3808 0.4148 0.4639 -0.0266 -0.0120 0.0081 390 THR B CG2 3030 N N . GLN B 62 ? 0.4222 0.4669 0.5111 -0.0284 -0.0135 0.0093 391 GLN B N 3031 C CA . GLN B 62 ? 0.4557 0.5040 0.5462 -0.0271 -0.0136 0.0098 391 GLN B CA 3032 C C . GLN B 62 ? 0.4255 0.4710 0.5135 -0.0257 -0.0135 0.0094 391 GLN B C 3033 O O . GLN B 62 ? 0.4340 0.4765 0.5193 -0.0263 -0.0143 0.0087 391 GLN B O 3034 C CB . GLN B 62 ? 0.4762 0.5289 0.5678 -0.0287 -0.0152 0.0103 391 GLN B CB 3035 C CG . GLN B 62 ? 0.4157 0.4729 0.5102 -0.0303 -0.0151 0.0109 391 GLN B CG 3036 C CD . GLN B 62 ? 0.4807 0.5349 0.5736 -0.0335 -0.0154 0.0106 391 GLN B CD 3037 O OE1 . GLN B 62 ? 0.4824 0.5323 0.5718 -0.0352 -0.0165 0.0099 391 GLN B OE1 3038 N NE2 . GLN B 62 ? 0.4338 0.4892 0.5281 -0.0344 -0.0145 0.0111 391 GLN B NE2 3039 N N . PHE B 63 ? 0.3833 0.4291 0.4716 -0.0237 -0.0123 0.0098 392 PHE B N 3040 C CA . PHE B 63 ? 0.3207 0.3642 0.4064 -0.0226 -0.0121 0.0097 392 PHE B CA 3041 C C . PHE B 63 ? 0.3830 0.4289 0.4682 -0.0223 -0.0138 0.0103 392 PHE B C 3042 O O . PHE B 63 ? 0.4156 0.4655 0.5029 -0.0216 -0.0143 0.0111 392 PHE B O 3043 C CB . PHE B 63 ? 0.2926 0.3345 0.3777 -0.0211 -0.0103 0.0100 392 PHE B CB 3044 C CG . PHE B 63 ? 0.3168 0.3562 0.3986 -0.0202 -0.0100 0.0102 392 PHE B CG 3045 C CD1 . PHE B 63 ? 0.2898 0.3270 0.3695 -0.0207 -0.0093 0.0094 392 PHE B CD1 3046 C CD2 . PHE B 63 ? 0.3075 0.3473 0.3881 -0.0184 -0.0104 0.0113 392 PHE B CD2 3047 C CE1 . PHE B 63 ? 0.3116 0.3465 0.3879 -0.0201 -0.0090 0.0096 392 PHE B CE1 3048 C CE2 . PHE B 63 ? 0.3244 0.3614 0.4013 -0.0175 -0.0102 0.0117 392 PHE B CE2 3049 C CZ . PHE B 63 ? 0.3194 0.3538 0.3941 -0.0186 -0.0094 0.0109 392 PHE B CZ 3050 N N . GLU B 64 ? 0.4893 0.5332 0.5715 -0.0225 -0.0147 0.0099 393 GLU B N 3051 C CA . GLU B 64 ? 0.5923 0.6392 0.6740 -0.0226 -0.0167 0.0103 393 GLU B CA 3052 C C . GLU B 64 ? 0.4989 0.5444 0.5777 -0.0203 -0.0164 0.0109 393 GLU B C 3053 O O . GLU B 64 ? 0.5341 0.5759 0.6096 -0.0203 -0.0161 0.0104 393 GLU B O 3054 C CB . GLU B 64 ? 0.6495 0.6952 0.7293 -0.0251 -0.0183 0.0092 393 GLU B CB 3055 C CG . GLU B 64 ? 0.7190 0.7634 0.7998 -0.0274 -0.0182 0.0086 393 GLU B CG 3056 C CD . GLU B 64 ? 0.7818 0.8287 0.8628 -0.0306 -0.0201 0.0083 393 GLU B CD 3057 O OE1 . GLU B 64 ? 0.7813 0.8322 0.8623 -0.0311 -0.0217 0.0085 393 GLU B OE1 3058 O OE2 . GLU B 64 ? 0.8831 0.9282 0.9641 -0.0327 -0.0200 0.0080 393 GLU B OE2 3059 N N . ALA B 65 ? 0.2942 0.3426 0.3739 -0.0181 -0.0165 0.0122 394 ALA B N 3060 C CA . ALA B 65 ? 0.3783 0.4253 0.4545 -0.0156 -0.0167 0.0131 394 ALA B CA 3061 C C . ALA B 65 ? 0.3610 0.4106 0.4355 -0.0162 -0.0191 0.0129 394 ALA B C 3062 O O . ALA B 65 ? 0.3512 0.4054 0.4281 -0.0183 -0.0209 0.0123 394 ALA B O 3063 C CB . ALA B 65 ? 0.3395 0.3884 0.4164 -0.0124 -0.0162 0.0145 394 ALA B CB 3064 N N . VAL B 66 ? 0.4520 0.4987 0.5221 -0.0147 -0.0192 0.0134 395 VAL B N 3065 C CA . VAL B 66 ? 0.4872 0.5362 0.5552 -0.0153 -0.0216 0.0130 395 VAL B CA 3066 C C . VAL B 66 ? 0.5015 0.5526 0.5670 -0.0119 -0.0227 0.0146 395 VAL B C 3067 O O . VAL B 66 ? 0.5268 0.5750 0.5904 -0.0088 -0.0212 0.0160 395 VAL B O 3068 C CB . VAL B 66 ? 0.4877 0.5314 0.5518 -0.0169 -0.0211 0.0118 395 VAL B CB 3069 C CG1 . VAL B 66 ? 0.3988 0.4408 0.4648 -0.0197 -0.0206 0.0102 395 VAL B CG1 3070 C CG2 . VAL B 66 ? 0.5347 0.5730 0.5952 -0.0150 -0.0188 0.0126 395 VAL B CG2 3071 N N . ASP B 67 ? 0.7018 0.7577 0.7666 -0.0126 -0.0254 0.0142 396 ASP B N 3072 C CA . ASP B 67 ? 0.6653 0.7250 0.7278 -0.0094 -0.0271 0.0156 396 ASP B CA 3073 C C . ASP B 67 ? 0.6044 0.6581 0.6603 -0.0078 -0.0267 0.0161 396 ASP B C 3074 O O . ASP B 67 ? 0.5919 0.6480 0.6447 -0.0048 -0.0283 0.0174 396 ASP B O 3075 C CB . ASP B 67 ? 0.6643 0.7329 0.7290 -0.0115 -0.0304 0.0148 396 ASP B CB 3076 C CG . ASP B 67 ? 0.7435 0.8095 0.8063 -0.0161 -0.0313 0.0127 396 ASP B CG 3077 O OD1 . ASP B 67 ? 0.8162 0.8761 0.8739 -0.0158 -0.0308 0.0124 396 ASP B OD1 3078 O OD2 . ASP B 67 ? 0.7621 0.8317 0.8279 -0.0200 -0.0325 0.0114 396 ASP B OD2 3079 N N . HIS B 68 ? 0.4028 0.4492 0.4562 -0.0096 -0.0247 0.0153 397 HIS B N 3080 C CA . HIS B 68 ? 0.4037 0.4453 0.4510 -0.0091 -0.0243 0.0154 397 HIS B CA 3081 C C . HIS B 68 ? 0.4042 0.4425 0.4467 -0.0050 -0.0234 0.0176 397 HIS B C 3082 O O . HIS B 68 ? 0.3914 0.4272 0.4345 -0.0031 -0.0216 0.0188 397 HIS B O 3083 C CB . HIS B 68 ? 0.3432 0.3788 0.3893 -0.0114 -0.0219 0.0140 397 HIS B CB 3084 C CG . HIS B 68 ? 0.3903 0.4273 0.4383 -0.0147 -0.0229 0.0118 397 HIS B CG 3085 N ND1 . HIS B 68 ? 0.3928 0.4263 0.4418 -0.0165 -0.0210 0.0105 397 HIS B ND1 3086 C CD2 . HIS B 68 ? 0.3938 0.4346 0.4423 -0.0166 -0.0257 0.0107 397 HIS B CD2 3087 C CE1 . HIS B 68 ? 0.3748 0.4089 0.4242 -0.0188 -0.0225 0.0087 397 HIS B CE1 3088 N NE2 . HIS B 68 ? 0.4011 0.4392 0.4500 -0.0194 -0.0253 0.0088 397 HIS B NE2 3089 N N . GLU B 69 ? 0.4562 0.4940 0.4935 -0.0037 -0.0248 0.0182 398 GLU B N 3090 C CA . GLU B 69 ? 0.4754 0.5093 0.5069 0.0004 -0.0241 0.0206 398 GLU B CA 3091 C C . GLU B 69 ? 0.4423 0.4676 0.4676 -0.0004 -0.0215 0.0208 398 GLU B C 3092 O O . GLU B 69 ? 0.3902 0.4142 0.4155 -0.0036 -0.0207 0.0191 398 GLU B O 3093 C CB . GLU B 69 ? 0.4732 0.5132 0.5026 0.0031 -0.0276 0.0214 398 GLU B CB 3094 C CG . GLU B 69 ? 0.5475 0.5970 0.5827 0.0046 -0.0299 0.0216 398 GLU B CG 3095 C CD . GLU B 69 ? 0.6314 0.6881 0.6645 0.0079 -0.0333 0.0227 398 GLU B CD 3096 O OE1 . GLU B 69 ? 0.6085 0.6635 0.6362 0.0079 -0.0344 0.0227 398 GLU B OE1 3097 O OE2 . GLU B 69 ? 0.6602 0.7250 0.6971 0.0107 -0.0349 0.0234 398 GLU B OE2 3098 N N . PHE B 70 ? 0.4536 0.4729 0.4733 0.0026 -0.0199 0.0231 399 PHE B N 3099 C CA . PHE B 70 ? 0.3985 0.4093 0.4116 0.0016 -0.0170 0.0237 399 PHE B CA 3100 C C . PHE B 70 ? 0.4195 0.4258 0.4242 0.0056 -0.0173 0.0263 399 PHE B C 3101 O O . PHE B 70 ? 0.4644 0.4702 0.4678 0.0097 -0.0180 0.0281 399 PHE B O 3102 C CB . PHE B 70 ? 0.3514 0.3568 0.3657 -0.0002 -0.0134 0.0237 399 PHE B CB 3103 C CG . PHE B 70 ? 0.3543 0.3642 0.3764 -0.0035 -0.0132 0.0213 399 PHE B CG 3104 C CD1 . PHE B 70 ? 0.3148 0.3248 0.3378 -0.0070 -0.0120 0.0195 399 PHE B CD1 3105 C CD2 . PHE B 70 ? 0.3712 0.3854 0.3994 -0.0028 -0.0142 0.0211 399 PHE B CD2 3106 C CE1 . PHE B 70 ? 0.3408 0.3545 0.3704 -0.0094 -0.0119 0.0175 399 PHE B CE1 3107 C CE2 . PHE B 70 ? 0.3386 0.3564 0.3733 -0.0058 -0.0140 0.0191 399 PHE B CE2 3108 C CZ . PHE B 70 ? 0.3400 0.3572 0.3752 -0.0089 -0.0129 0.0174 399 PHE B CZ 3109 N N . SER B 71 ? 0.4337 0.4367 0.4324 0.0047 -0.0168 0.0264 400 SER B N 3110 C CA . SER B 71 ? 0.4457 0.4438 0.4354 0.0084 -0.0171 0.0290 400 SER B CA 3111 C C . SER B 71 ? 0.4833 0.4707 0.4668 0.0094 -0.0135 0.0312 400 SER B C 3112 O O . SER B 71 ? 0.4883 0.4727 0.4746 0.0066 -0.0109 0.0304 400 SER B O 3113 C CB . SER B 71 ? 0.4724 0.4698 0.4573 0.0066 -0.0172 0.0283 400 SER B CB 3114 O OG . SER B 71 ? 0.4917 0.4831 0.4741 0.0030 -0.0133 0.0278 400 SER B OG 3115 N N . ASN B 72 ? 0.6022 0.5834 0.5765 0.0132 -0.0136 0.0338 401 ASN B N 3116 C CA . ASN B 72 ? 0.6097 0.5789 0.5761 0.0142 -0.0102 0.0361 401 ASN B CA 3117 C C . ASN B 72 ? 0.6323 0.5946 0.5952 0.0086 -0.0061 0.0355 401 ASN B C 3118 O O . ASN B 72 ? 0.6687 0.6212 0.6261 0.0074 -0.0028 0.0368 401 ASN B O 3119 C CB . ASN B 72 ? 0.6565 0.6200 0.6126 0.0200 -0.0114 0.0393 401 ASN B CB 3120 C CG . ASN B 72 ? 0.7916 0.7572 0.7431 0.0199 -0.0128 0.0395 401 ASN B CG 3121 O OD1 . ASN B 72 ? 0.8758 0.8502 0.8333 0.0172 -0.0146 0.0371 401 ASN B OD1 3122 N ND2 . ASN B 72 ? 0.8216 0.7784 0.7617 0.0231 -0.0121 0.0424 401 ASN B ND2 3123 N N . LEU B 73 ? 0.5384 0.5062 0.5043 0.0050 -0.0063 0.0335 402 LEU B N 3124 C CA . LEU B 73 ? 0.5170 0.4810 0.4807 -0.0002 -0.0025 0.0326 402 LEU B CA 3125 C C . LEU B 73 ? 0.4814 0.4518 0.4550 -0.0044 -0.0016 0.0296 402 LEU B C 3126 O O . LEU B 73 ? 0.4565 0.4278 0.4307 -0.0085 0.0008 0.0281 402 LEU B O 3127 C CB . LEU B 73 ? 0.5107 0.4755 0.4694 -0.0008 -0.0027 0.0325 402 LEU B CB 3128 C CG . LEU B 73 ? 0.5651 0.5207 0.5116 0.0019 -0.0020 0.0358 402 LEU B CG 3129 C CD1 . LEU B 73 ? 0.4875 0.4444 0.4289 0.0014 -0.0023 0.0356 402 LEU B CD1 3130 C CD2 . LEU B 73 ? 0.5203 0.4648 0.4604 -0.0008 0.0025 0.0374 402 LEU B CD2 3131 N N . GLU B 74 ? 0.4793 0.4544 0.4603 -0.0030 -0.0035 0.0288 403 GLU B N 3132 C CA . GLU B 74 ? 0.4639 0.4445 0.4540 -0.0063 -0.0029 0.0263 403 GLU B CA 3133 C C . GLU B 74 ? 0.4127 0.3906 0.4052 -0.0057 -0.0021 0.0268 403 GLU B C 3134 O O . GLU B 74 ? 0.4108 0.3944 0.4113 -0.0060 -0.0033 0.0254 403 GLU B O 3135 C CB . GLU B 74 ? 0.4604 0.4504 0.4576 -0.0058 -0.0063 0.0243 403 GLU B CB 3136 C CG . GLU B 74 ? 0.4344 0.4266 0.4288 -0.0065 -0.0071 0.0233 403 GLU B CG 3137 C CD . GLU B 74 ? 0.4499 0.4498 0.4498 -0.0062 -0.0106 0.0213 403 GLU B CD 3138 O OE1 . GLU B 74 ? 0.3955 0.3991 0.3982 -0.0039 -0.0135 0.0218 403 GLU B OE1 3139 O OE2 . GLU B 74 ? 0.4084 0.4107 0.4094 -0.0083 -0.0104 0.0192 403 GLU B OE2 3140 N N . ARG B 75 ? 0.5012 0.4695 0.4861 -0.0049 0.0001 0.0290 404 ARG B N 3141 C CA . ARG B 75 ? 0.5230 0.4866 0.5082 -0.0045 0.0014 0.0295 404 ARG B CA 3142 C C . ARG B 75 ? 0.4920 0.4581 0.4833 -0.0096 0.0036 0.0272 404 ARG B C 3143 O O . ARG B 75 ? 0.5092 0.4772 0.5058 -0.0092 0.0032 0.0264 404 ARG B O 3144 C CB . ARG B 75 ? 0.5838 0.5343 0.5574 -0.0032 0.0038 0.0322 404 ARG B CB 3145 C CG . ARG B 75 ? 0.6384 0.5814 0.6101 -0.0030 0.0057 0.0327 404 ARG B CG 3146 C CD . ARG B 75 ? 0.6603 0.5887 0.6188 -0.0009 0.0078 0.0356 404 ARG B CD 3147 N NE . ARG B 75 ? 0.6834 0.6094 0.6387 0.0066 0.0054 0.0376 404 ARG B NE 3148 C CZ . ARG B 75 ? 0.7294 0.6563 0.6806 0.0117 0.0031 0.0394 404 ARG B CZ 3149 N NH1 . ARG B 75 ? 0.7319 0.6611 0.6811 0.0099 0.0027 0.0396 404 ARG B NH1 3150 N NH2 . ARG B 75 ? 0.7822 0.7082 0.7311 0.0189 0.0010 0.0411 404 ARG B NH2 3151 N N . ARG B 76 ? 0.3348 0.3016 0.3256 -0.0140 0.0058 0.0261 405 ARG B N 3152 C CA . ARG B 76 ? 0.3541 0.3243 0.3503 -0.0187 0.0078 0.0240 405 ARG B CA 3153 C C . ARG B 76 ? 0.3412 0.3217 0.3479 -0.0183 0.0054 0.0218 405 ARG B C 3154 O O . ARG B 76 ? 0.3498 0.3321 0.3614 -0.0193 0.0057 0.0208 405 ARG B O 3155 C CB . ARG B 76 ? 0.3352 0.3055 0.3285 -0.0232 0.0107 0.0233 405 ARG B CB 3156 C CG . ARG B 76 ? 0.3791 0.3385 0.3621 -0.0256 0.0141 0.0253 405 ARG B CG 3157 C CD . ARG B 76 ? 0.3221 0.2829 0.3019 -0.0296 0.0167 0.0249 405 ARG B CD 3158 N NE . ARG B 76 ? 0.3738 0.3391 0.3537 -0.0267 0.0145 0.0248 405 ARG B NE 3159 C CZ . ARG B 76 ? 0.3562 0.3284 0.3383 -0.0286 0.0152 0.0233 405 ARG B CZ 3160 N NH1 . ARG B 76 ? 0.3611 0.3374 0.3460 -0.0333 0.0181 0.0217 405 ARG B NH1 3161 N NH2 . ARG B 76 ? 0.3543 0.3294 0.3357 -0.0257 0.0131 0.0232 405 ARG B NH2 3162 N N . ILE B 77 ? 0.3707 0.3573 0.3801 -0.0169 0.0031 0.0210 406 ILE B N 3163 C CA . ILE B 77 ? 0.4084 0.4032 0.4264 -0.0168 0.0010 0.0189 406 ILE B CA 3164 C C . ILE B 77 ? 0.3888 0.3854 0.4104 -0.0136 -0.0017 0.0195 406 ILE B C 3165 O O . ILE B 77 ? 0.3626 0.3641 0.3909 -0.0142 -0.0026 0.0182 406 ILE B O 3166 C CB . ILE B 77 ? 0.3977 0.3975 0.4168 -0.0166 -0.0006 0.0176 406 ILE B CB 3167 C CG1 . ILE B 77 ? 0.4489 0.4471 0.4630 -0.0136 -0.0028 0.0191 406 ILE B CG1 3168 C CG2 . ILE B 77 ? 0.3968 0.3972 0.4143 -0.0196 0.0022 0.0165 406 ILE B CG2 3169 C CD1 . ILE B 77 ? 0.4601 0.4629 0.4751 -0.0135 -0.0048 0.0175 406 ILE B CD1 3170 N N . GLY B 78 ? 0.2603 0.2534 0.2772 -0.0102 -0.0029 0.0215 407 GLY B N 3171 C CA . GLY B 78 ? 0.2539 0.2494 0.2739 -0.0068 -0.0051 0.0222 407 GLY B CA 3172 C C . GLY B 78 ? 0.3447 0.3372 0.3665 -0.0075 -0.0033 0.0222 407 GLY B C 3173 O O . GLY B 78 ? 0.3369 0.3342 0.3647 -0.0067 -0.0045 0.0215 407 GLY B O 3174 N N . ASN B 79 ? 0.4164 0.4008 0.4324 -0.0092 -0.0002 0.0229 408 ASN B N 3175 C CA . ASN B 79 ? 0.3944 0.3745 0.4105 -0.0103 0.0018 0.0227 408 ASN B CA 3176 C C . ASN B 79 ? 0.3953 0.3809 0.4183 -0.0145 0.0027 0.0204 408 ASN B C 3177 O O . ASN B 79 ? 0.4136 0.4001 0.4403 -0.0148 0.0030 0.0197 408 ASN B O 3178 C CB . ASN B 79 ? 0.4651 0.4337 0.4714 -0.0115 0.0049 0.0242 408 ASN B CB 3179 C CG . ASN B 79 ? 0.5509 0.5147 0.5567 -0.0143 0.0075 0.0235 408 ASN B CG 3180 O OD1 . ASN B 79 ? 0.5927 0.5558 0.5983 -0.0195 0.0098 0.0223 408 ASN B OD1 3181 N ND2 . ASN B 79 ? 0.5166 0.4774 0.5220 -0.0110 0.0069 0.0241 408 ASN B ND2 3182 N N . LEU B 80 ? 0.4183 0.4080 0.4430 -0.0172 0.0030 0.0192 409 LEU B N 3183 C CA . LEU B 80 ? 0.3946 0.3906 0.4260 -0.0202 0.0034 0.0169 409 LEU B CA 3184 C C . LEU B 80 ? 0.3610 0.3636 0.3995 -0.0182 0.0006 0.0162 409 LEU B C 3185 O O . LEU B 80 ? 0.4156 0.4209 0.4588 -0.0194 0.0009 0.0151 409 LEU B O 3186 C CB . LEU B 80 ? 0.3812 0.3806 0.4124 -0.0223 0.0041 0.0159 409 LEU B CB 3187 C CG . LEU B 80 ? 0.3993 0.4045 0.4355 -0.0254 0.0053 0.0138 409 LEU B CG 3188 C CD1 . LEU B 80 ? 0.3921 0.3988 0.4256 -0.0274 0.0071 0.0132 409 LEU B CD1 3189 C CD2 . LEU B 80 ? 0.4522 0.4637 0.4949 -0.0238 0.0028 0.0125 409 LEU B CD2 3190 N N . ASN B 81 ? 0.3571 0.3621 0.3959 -0.0155 -0.0020 0.0167 410 ASN B N 3191 C CA . ASN B 81 ? 0.3731 0.3841 0.4179 -0.0141 -0.0046 0.0161 410 ASN B CA 3192 C C . ASN B 81 ? 0.3660 0.3765 0.4126 -0.0123 -0.0047 0.0169 410 ASN B C 3193 O O . ASN B 81 ? 0.3482 0.3629 0.4003 -0.0129 -0.0053 0.0159 410 ASN B O 3194 C CB . ASN B 81 ? 0.3840 0.3980 0.4281 -0.0121 -0.0074 0.0166 410 ASN B CB 3195 C CG . ASN B 81 ? 0.3458 0.3662 0.3958 -0.0116 -0.0099 0.0159 410 ASN B CG 3196 O OD1 . ASN B 81 ? 0.4004 0.4238 0.4542 -0.0137 -0.0102 0.0143 410 ASN B OD1 3197 N ND2 . ASN B 81 ? 0.3807 0.4035 0.4312 -0.0089 -0.0117 0.0170 410 ASN B ND2 3198 N N . LYS B 82 ? 0.4065 0.4114 0.4478 -0.0098 -0.0040 0.0186 411 LYS B N 3199 C CA . LYS B 82 ? 0.4232 0.4268 0.4651 -0.0074 -0.0039 0.0193 411 LYS B CA 3200 C C . LYS B 82 ? 0.4117 0.4133 0.4553 -0.0102 -0.0016 0.0181 411 LYS B C 3201 O O . LYS B 82 ? 0.4400 0.4453 0.4884 -0.0098 -0.0021 0.0175 411 LYS B O 3202 C CB . LYS B 82 ? 0.4126 0.4090 0.4469 -0.0037 -0.0033 0.0214 411 LYS B CB 3203 C CG . LYS B 82 ? 0.5304 0.5248 0.5644 -0.0003 -0.0030 0.0221 411 LYS B CG 3204 C CD . LYS B 82 ? 0.6854 0.6697 0.7100 0.0033 -0.0017 0.0242 411 LYS B CD 3205 C CE . LYS B 82 ? 0.6820 0.6616 0.7048 0.0058 -0.0004 0.0244 411 LYS B CE 3206 N NZ . LYS B 82 ? 0.7570 0.7467 0.7874 0.0087 -0.0025 0.0240 411 LYS B NZ 3207 N N . ARG B 83 ? 0.3573 0.3534 0.3969 -0.0134 0.0009 0.0178 412 ARG B N 3208 C CA . ARG B 83 ? 0.3719 0.3660 0.4122 -0.0165 0.0031 0.0166 412 ARG B CA 3209 C C . ARG B 83 ? 0.3637 0.3660 0.4118 -0.0187 0.0023 0.0147 412 ARG B C 3210 O O . ARG B 83 ? 0.3053 0.3083 0.3560 -0.0200 0.0030 0.0138 412 ARG B O 3211 C CB . ARG B 83 ? 0.3637 0.3517 0.3982 -0.0202 0.0059 0.0165 412 ARG B CB 3212 C CG . ARG B 83 ? 0.4230 0.3999 0.4484 -0.0190 0.0076 0.0183 412 ARG B CG 3213 C CD . ARG B 83 ? 0.4442 0.4158 0.4631 -0.0223 0.0098 0.0187 412 ARG B CD 3214 N NE . ARG B 83 ? 0.5451 0.5207 0.5670 -0.0279 0.0116 0.0168 412 ARG B NE 3215 C CZ . ARG B 83 ? 0.4705 0.4512 0.4939 -0.0304 0.0120 0.0160 412 ARG B CZ 3216 N NH1 . ARG B 83 ? 0.3275 0.3090 0.3493 -0.0283 0.0109 0.0170 412 ARG B NH1 3217 N NH2 . ARG B 83 ? 0.4832 0.4685 0.5096 -0.0350 0.0136 0.0142 412 ARG B NH2 3218 N N . MET B 84 ? 0.3605 0.3683 0.4118 -0.0189 0.0007 0.0142 413 MET B N 3219 C CA . MET B 84 ? 0.3953 0.4097 0.4528 -0.0203 -0.0002 0.0126 413 MET B CA 3220 C C . MET B 84 ? 0.3471 0.3654 0.4092 -0.0183 -0.0021 0.0127 413 MET B C 3221 O O . MET B 84 ? 0.3599 0.3809 0.4259 -0.0193 -0.0020 0.0118 413 MET B O 3222 C CB . MET B 84 ? 0.3514 0.3691 0.4096 -0.0209 -0.0010 0.0119 413 MET B CB 3223 C CG . MET B 84 ? 0.3231 0.3464 0.3867 -0.0213 -0.0023 0.0106 413 MET B CG 3224 S SD . MET B 84 ? 0.5908 0.6163 0.6541 -0.0204 -0.0044 0.0102 413 MET B SD 3225 C CE . MET B 84 ? 0.5581 0.5877 0.6267 -0.0205 -0.0062 0.0092 413 MET B CE 3226 N N . GLU B 85 ? 0.2640 0.2832 0.3255 -0.0156 -0.0040 0.0138 414 GLU B N 3227 C CA . GLU B 85 ? 0.3482 0.3720 0.4139 -0.0140 -0.0058 0.0141 414 GLU B CA 3228 C C . GLU B 85 ? 0.3674 0.3893 0.4333 -0.0129 -0.0045 0.0143 414 GLU B C 3229 O O . GLU B 85 ? 0.2864 0.3120 0.3565 -0.0135 -0.0048 0.0137 414 GLU B O 3230 C CB . GLU B 85 ? 0.3163 0.3422 0.3809 -0.0113 -0.0079 0.0152 414 GLU B CB 3231 C CG . GLU B 85 ? 0.3252 0.3540 0.3904 -0.0127 -0.0096 0.0145 414 GLU B CG 3232 C CD . GLU B 85 ? 0.4362 0.4678 0.5002 -0.0106 -0.0119 0.0155 414 GLU B CD 3233 O OE1 . GLU B 85 ? 0.5277 0.5599 0.5908 -0.0075 -0.0123 0.0168 414 GLU B OE1 3234 O OE2 . GLU B 85 ? 0.4165 0.4499 0.4801 -0.0119 -0.0134 0.0148 414 GLU B OE2 3235 N N . ASP B 86 ? 0.3190 0.3344 0.3794 -0.0114 -0.0030 0.0153 415 ASP B N 3236 C CA . ASP B 86 ? 0.3295 0.3411 0.3885 -0.0105 -0.0014 0.0154 415 ASP B CA 3237 C C . ASP B 86 ? 0.3302 0.3415 0.3911 -0.0143 0.0002 0.0138 415 ASP B C 3238 O O . ASP B 86 ? 0.2777 0.2896 0.3404 -0.0141 0.0007 0.0132 415 ASP B O 3239 C CB . ASP B 86 ? 0.3304 0.3329 0.3816 -0.0084 0.0002 0.0167 415 ASP B CB 3240 C CG . ASP B 86 ? 0.5161 0.5193 0.5652 -0.0036 -0.0015 0.0184 415 ASP B CG 3241 O OD1 . ASP B 86 ? 0.5578 0.5694 0.6122 -0.0019 -0.0037 0.0185 415 ASP B OD1 3242 O OD2 . ASP B 86 ? 0.5916 0.5871 0.6334 -0.0015 -0.0006 0.0198 415 ASP B OD2 3243 N N . GLY B 87 ? 0.3554 0.3664 0.4158 -0.0175 0.0010 0.0129 416 GLY B N 3244 C CA . GLY B 87 ? 0.2892 0.3015 0.3515 -0.0210 0.0023 0.0113 416 GLY B CA 3245 C C . GLY B 87 ? 0.3412 0.3602 0.4098 -0.0210 0.0009 0.0105 416 GLY B C 3246 O O . GLY B 87 ? 0.3231 0.3424 0.3930 -0.0220 0.0018 0.0097 416 GLY B O 3247 N N . PHE B 88 ? 0.2452 0.2690 0.3171 -0.0201 -0.0011 0.0107 417 PHE B N 3248 C CA . PHE B 88 ? 0.2616 0.2908 0.3386 -0.0203 -0.0023 0.0100 417 PHE B CA 3249 C C . PHE B 88 ? 0.2670 0.2976 0.3457 -0.0185 -0.0028 0.0107 417 PHE B C 3250 O O . PHE B 88 ? 0.3508 0.3840 0.4324 -0.0191 -0.0028 0.0101 417 PHE B O 3251 C CB . PHE B 88 ? 0.2395 0.2720 0.3182 -0.0203 -0.0042 0.0099 417 PHE B CB 3252 C CG . PHE B 88 ? 0.2917 0.3245 0.3699 -0.0219 -0.0037 0.0089 417 PHE B CG 3253 C CD1 . PHE B 88 ? 0.2683 0.3034 0.3486 -0.0233 -0.0031 0.0078 417 PHE B CD1 3254 C CD2 . PHE B 88 ? 0.2479 0.2794 0.3234 -0.0218 -0.0039 0.0090 417 PHE B CD2 3255 C CE1 . PHE B 88 ? 0.2442 0.2807 0.3242 -0.0241 -0.0026 0.0068 417 PHE B CE1 3256 C CE2 . PHE B 88 ? 0.2973 0.3298 0.3723 -0.0229 -0.0032 0.0080 417 PHE B CE2 3257 C CZ . PHE B 88 ? 0.3219 0.3573 0.3994 -0.0239 -0.0026 0.0068 417 PHE B CZ 3258 N N . LEU B 89 ? 0.2452 0.2742 0.3219 -0.0158 -0.0032 0.0119 418 LEU B N 3259 C CA . LEU B 89 ? 0.2953 0.3262 0.3733 -0.0134 -0.0034 0.0125 418 LEU B CA 3260 C C . LEU B 89 ? 0.3310 0.3584 0.4076 -0.0137 -0.0014 0.0119 418 LEU B C 3261 O O . LEU B 89 ? 0.3317 0.3621 0.4110 -0.0132 -0.0014 0.0116 418 LEU B O 3262 C CB . LEU B 89 ? 0.2762 0.3061 0.3515 -0.0098 -0.0040 0.0139 418 LEU B CB 3263 C CG . LEU B 89 ? 0.3625 0.3946 0.4385 -0.0063 -0.0040 0.0147 418 LEU B CG 3264 C CD1 . LEU B 89 ? 0.3238 0.3643 0.4061 -0.0073 -0.0053 0.0143 418 LEU B CD1 3265 C CD2 . LEU B 89 ? 0.2789 0.3111 0.3522 -0.0022 -0.0050 0.0162 418 LEU B CD2 3266 N N . ASP B 90 ? 0.2770 0.2978 0.3490 -0.0149 0.0004 0.0115 419 ASP B N 3267 C CA . ASP B 90 ? 0.2816 0.2981 0.3512 -0.0159 0.0023 0.0107 419 ASP B CA 3268 C C . ASP B 90 ? 0.3152 0.3358 0.3886 -0.0190 0.0024 0.0092 419 ASP B C 3269 O O . ASP B 90 ? 0.3018 0.3223 0.3756 -0.0189 0.0031 0.0086 419 ASP B O 3270 C CB . ASP B 90 ? 0.3505 0.3583 0.4133 -0.0172 0.0043 0.0106 419 ASP B CB 3271 C CG . ASP B 90 ? 0.4148 0.4163 0.4720 -0.0132 0.0046 0.0122 419 ASP B CG 3272 O OD1 . ASP B 90 ? 0.4332 0.4370 0.4917 -0.0091 0.0037 0.0131 419 ASP B OD1 3273 O OD2 . ASP B 90 ? 0.4721 0.4664 0.5233 -0.0142 0.0058 0.0126 419 ASP B OD2 3274 N N . VAL B 91 ? 0.2577 0.2818 0.3335 -0.0213 0.0017 0.0086 420 VAL B N 3275 C CA . VAL B 91 ? 0.2866 0.3147 0.3655 -0.0235 0.0017 0.0073 420 VAL B CA 3276 C C . VAL B 91 ? 0.2750 0.3079 0.3582 -0.0221 0.0004 0.0077 420 VAL B C 3277 O O . VAL B 91 ? 0.2870 0.3215 0.3714 -0.0229 0.0007 0.0069 420 VAL B O 3278 C CB . VAL B 91 ? 0.3141 0.3452 0.3943 -0.0257 0.0014 0.0065 420 VAL B CB 3279 C CG1 . VAL B 91 ? 0.2106 0.2381 0.2870 -0.0269 0.0025 0.0066 420 VAL B CG1 3280 C CG2 . VAL B 91 ? 0.3378 0.3734 0.4215 -0.0247 -0.0005 0.0068 420 VAL B CG2 3281 N N . TRP B 92 ? 0.2463 0.2816 0.3312 -0.0204 -0.0012 0.0087 421 TRP B N 3282 C CA . TRP B 92 ? 0.2497 0.2897 0.3383 -0.0199 -0.0023 0.0090 421 TRP B CA 3283 C C . TRP B 92 ? 0.2727 0.3130 0.3613 -0.0180 -0.0015 0.0094 421 TRP B C 3284 O O . TRP B 92 ? 0.2623 0.3057 0.3532 -0.0184 -0.0015 0.0092 421 TRP B O 3285 C CB . TRP B 92 ? 0.2335 0.2765 0.3237 -0.0195 -0.0041 0.0098 421 TRP B CB 3286 C CG . TRP B 92 ? 0.2749 0.3181 0.3654 -0.0212 -0.0049 0.0092 421 TRP B CG 3287 C CD1 . TRP B 92 ? 0.2663 0.3079 0.3550 -0.0213 -0.0054 0.0092 421 TRP B CD1 3288 C CD2 . TRP B 92 ? 0.2422 0.2868 0.3341 -0.0225 -0.0052 0.0086 421 TRP B CD2 3289 N NE1 . TRP B 92 ? 0.2030 0.2451 0.2921 -0.0225 -0.0059 0.0085 421 TRP B NE1 3290 C CE2 . TRP B 92 ? 0.2428 0.2866 0.3336 -0.0230 -0.0059 0.0082 421 TRP B CE2 3291 C CE3 . TRP B 92 ? 0.2787 0.3251 0.3721 -0.0230 -0.0050 0.0084 421 TRP B CE3 3292 C CZ2 . TRP B 92 ? 0.2593 0.3037 0.3504 -0.0235 -0.0063 0.0076 421 TRP B CZ2 3293 C CZ3 . TRP B 92 ? 0.2753 0.3223 0.3690 -0.0238 -0.0055 0.0080 421 TRP B CZ3 3294 C CH2 . TRP B 92 ? 0.2851 0.3309 0.3775 -0.0238 -0.0062 0.0076 421 TRP B CH2 3295 N N . THR B 93 ? 0.2264 0.2632 0.3120 -0.0157 -0.0008 0.0100 422 THR B N 3296 C CA . THR B 93 ? 0.2133 0.2494 0.2978 -0.0132 0.0003 0.0102 422 THR B CA 3297 C C . THR B 93 ? 0.2522 0.2852 0.3351 -0.0149 0.0019 0.0088 422 THR B C 3298 O O . THR B 93 ? 0.2690 0.3041 0.3531 -0.0142 0.0024 0.0086 422 THR B O 3299 C CB . THR B 93 ? 0.2384 0.2696 0.3185 -0.0098 0.0009 0.0110 422 THR B CB 3300 O OG1 . THR B 93 ? 0.2496 0.2841 0.3309 -0.0085 -0.0008 0.0122 422 THR B OG1 3301 C CG2 . THR B 93 ? 0.2677 0.2988 0.3467 -0.0063 0.0019 0.0113 422 THR B CG2 3302 N N . TYR B 94 ? 0.2892 0.3177 0.3693 -0.0174 0.0027 0.0080 423 TYR B N 3303 C CA . TYR B 94 ? 0.2355 0.2619 0.3141 -0.0198 0.0040 0.0064 423 TYR B CA 3304 C C . TYR B 94 ? 0.2704 0.3032 0.3535 -0.0212 0.0031 0.0059 423 TYR B C 3305 O O . TYR B 94 ? 0.2782 0.3114 0.3611 -0.0213 0.0038 0.0053 423 TYR B O 3306 C CB . TYR B 94 ? 0.2579 0.2804 0.3333 -0.0229 0.0049 0.0055 423 TYR B CB 3307 C CG . TYR B 94 ? 0.2969 0.3202 0.3722 -0.0262 0.0057 0.0038 423 TYR B CG 3308 C CD1 . TYR B 94 ? 0.2898 0.3077 0.3606 -0.0271 0.0074 0.0027 423 TYR B CD1 3309 C CD2 . TYR B 94 ? 0.2991 0.3287 0.3782 -0.0281 0.0047 0.0032 423 TYR B CD2 3310 C CE1 . TYR B 94 ? 0.2770 0.2964 0.3477 -0.0303 0.0079 0.0010 423 TYR B CE1 3311 C CE2 . TYR B 94 ? 0.3299 0.3615 0.4090 -0.0308 0.0052 0.0016 423 TYR B CE2 3312 C CZ . TYR B 94 ? 0.3400 0.3669 0.4151 -0.0321 0.0067 0.0005 423 TYR B CZ 3313 O OH . TYR B 94 ? 0.4068 0.4365 0.4820 -0.0350 0.0070 -0.0012 423 TYR B OH 3314 N N . ASN B 95 ? 0.2733 0.3101 0.3595 -0.0221 0.0016 0.0063 424 ASN B N 3315 C CA . ASN B 95 ? 0.2645 0.3061 0.3538 -0.0232 0.0007 0.0060 424 ASN B CA 3316 C C . ASN B 95 ? 0.2755 0.3200 0.3668 -0.0219 0.0005 0.0066 424 ASN B C 3317 O O . ASN B 95 ? 0.3150 0.3610 0.4068 -0.0226 0.0008 0.0061 424 ASN B O 3318 C CB . ASN B 95 ? 0.2702 0.3142 0.3614 -0.0237 -0.0008 0.0064 424 ASN B CB 3319 C CG . ASN B 95 ? 0.2995 0.3426 0.3895 -0.0252 -0.0005 0.0055 424 ASN B CG 3320 O OD1 . ASN B 95 ? 0.3382 0.3800 0.4264 -0.0267 0.0008 0.0044 424 ASN B OD1 3321 N ND2 . ASN B 95 ? 0.3467 0.3908 0.4373 -0.0251 -0.0015 0.0058 424 ASN B ND2 3322 N N . ALA B 96 ? 0.2310 0.2768 0.3234 -0.0201 0.0000 0.0078 425 ALA B N 3323 C CA . ALA B 96 ? 0.2236 0.2736 0.3183 -0.0190 -0.0002 0.0085 425 ALA B CA 3324 C C . ALA B 96 ? 0.2498 0.2984 0.3427 -0.0174 0.0015 0.0080 425 ALA B C 3325 O O . ALA B 96 ? 0.2773 0.3287 0.3713 -0.0178 0.0019 0.0079 425 ALA B O 3326 C CB . ALA B 96 ? 0.2137 0.2666 0.3099 -0.0175 -0.0012 0.0098 425 ALA B CB 3327 N N . GLU B 97 ? 0.2515 0.2953 0.3410 -0.0157 0.0026 0.0077 426 GLU B N 3328 C CA . GLU B 97 ? 0.2995 0.3408 0.3863 -0.0136 0.0043 0.0072 426 GLU B CA 3329 C C . GLU B 97 ? 0.3342 0.3731 0.4191 -0.0160 0.0052 0.0056 426 GLU B C 3330 O O . GLU B 97 ? 0.3439 0.3838 0.4284 -0.0153 0.0061 0.0052 426 GLU B O 3331 C CB . GLU B 97 ? 0.3377 0.3726 0.4198 -0.0109 0.0053 0.0073 426 GLU B CB 3332 C CG . GLU B 97 ? 0.3210 0.3594 0.4047 -0.0075 0.0044 0.0089 426 GLU B CG 3333 C CD . GLU B 97 ? 0.4795 0.5111 0.5578 -0.0038 0.0054 0.0093 426 GLU B CD 3334 O OE1 . GLU B 97 ? 0.5517 0.5751 0.6245 -0.0039 0.0071 0.0083 426 GLU B OE1 3335 O OE2 . GLU B 97 ? 0.4477 0.4819 0.5268 -0.0009 0.0044 0.0106 426 GLU B OE2 3336 N N . LEU B 98 ? 0.3210 0.3574 0.4047 -0.0189 0.0051 0.0048 427 LEU B N 3337 C CA . LEU B 98 ? 0.2937 0.3293 0.3760 -0.0215 0.0057 0.0032 427 LEU B CA 3338 C C . LEU B 98 ? 0.3185 0.3603 0.4044 -0.0222 0.0047 0.0034 427 LEU B C 3339 O O . LEU B 98 ? 0.3108 0.3531 0.3957 -0.0226 0.0053 0.0026 427 LEU B O 3340 C CB . LEU B 98 ? 0.3661 0.3996 0.4469 -0.0245 0.0056 0.0023 427 LEU B CB 3341 C CG . LEU B 98 ? 0.4324 0.4642 0.5104 -0.0277 0.0065 0.0003 427 LEU B CG 3342 C CD1 . LEU B 98 ? 0.3977 0.4362 0.4791 -0.0292 0.0052 -0.0002 427 LEU B CD1 3343 C CD2 . LEU B 98 ? 0.3795 0.4061 0.4530 -0.0270 0.0081 -0.0007 427 LEU B CD2 3344 N N . LEU B 99 ? 0.3142 0.3599 0.4035 -0.0224 0.0031 0.0046 428 LEU B N 3345 C CA . LEU B 99 ? 0.3090 0.3591 0.4007 -0.0231 0.0023 0.0050 428 LEU B CA 3346 C C . LEU B 99 ? 0.3553 0.4077 0.4475 -0.0218 0.0030 0.0055 428 LEU B C 3347 O O . LEU B 99 ? 0.3286 0.3827 0.4205 -0.0225 0.0032 0.0052 428 LEU B O 3348 C CB . LEU B 99 ? 0.3220 0.3744 0.4161 -0.0234 0.0007 0.0062 428 LEU B CB 3349 C CG . LEU B 99 ? 0.3367 0.3919 0.4319 -0.0241 -0.0002 0.0068 428 LEU B CG 3350 C CD1 . LEU B 99 ? 0.3264 0.3818 0.4203 -0.0250 -0.0003 0.0057 428 LEU B CD1 3351 C CD2 . LEU B 99 ? 0.2930 0.3486 0.3895 -0.0245 -0.0016 0.0079 428 LEU B CD2 3352 N N . VAL B 100 ? 0.3071 0.3601 0.4000 -0.0197 0.0034 0.0063 429 VAL B N 3353 C CA . VAL B 100 ? 0.3006 0.3571 0.3944 -0.0182 0.0043 0.0068 429 VAL B CA 3354 C C . VAL B 100 ? 0.2555 0.3093 0.3460 -0.0174 0.0060 0.0055 429 VAL B C 3355 O O . VAL B 100 ? 0.2647 0.3213 0.3555 -0.0174 0.0066 0.0055 429 VAL B O 3356 C CB . VAL B 100 ? 0.2840 0.3428 0.3793 -0.0156 0.0043 0.0079 429 VAL B CB 3357 C CG1 . VAL B 100 ? 0.3002 0.3624 0.3956 -0.0132 0.0058 0.0080 429 VAL B CG1 3358 C CG2 . VAL B 100 ? 0.2206 0.2838 0.3193 -0.0171 0.0027 0.0092 429 VAL B CG2 3359 N N . LEU B 101 ? 0.2481 0.2958 0.3349 -0.0170 0.0068 0.0042 430 LEU B N 3360 C CA . LEU B 101 ? 0.2467 0.2904 0.3292 -0.0166 0.0085 0.0026 430 LEU B CA 3361 C C . LEU B 101 ? 0.2902 0.3353 0.3724 -0.0196 0.0081 0.0016 430 LEU B C 3362 O O . LEU B 101 ? 0.2582 0.3035 0.3385 -0.0194 0.0090 0.0008 430 LEU B O 3363 C CB . LEU B 101 ? 0.2675 0.3031 0.3451 -0.0163 0.0095 0.0016 430 LEU B CB 3364 C CG . LEU B 101 ? 0.3229 0.3552 0.3986 -0.0124 0.0102 0.0024 430 LEU B CG 3365 C CD1 . LEU B 101 ? 0.2625 0.2847 0.3316 -0.0128 0.0114 0.0012 430 LEU B CD1 3366 C CD2 . LEU B 101 ? 0.2966 0.3315 0.3723 -0.0085 0.0114 0.0027 430 LEU B CD2 3367 N N . LEU B 102 ? 0.3206 0.3667 0.4043 -0.0220 0.0067 0.0016 431 LEU B N 3368 C CA . LEU B 102 ? 0.2855 0.3338 0.3690 -0.0244 0.0060 0.0007 431 LEU B CA 3369 C C . LEU B 102 ? 0.2777 0.3309 0.3635 -0.0239 0.0054 0.0019 431 LEU B C 3370 O O . LEU B 102 ? 0.3147 0.3692 0.3990 -0.0244 0.0057 0.0013 431 LEU B O 3371 C CB . LEU B 102 ? 0.2677 0.3167 0.3523 -0.0264 0.0047 0.0004 431 LEU B CB 3372 C CG . LEU B 102 ? 0.3545 0.4074 0.4396 -0.0280 0.0036 -0.0002 431 LEU B CG 3373 C CD1 . LEU B 102 ? 0.3580 0.4104 0.4399 -0.0296 0.0044 -0.0021 431 LEU B CD1 3374 C CD2 . LEU B 102 ? 0.3859 0.4403 0.4723 -0.0293 0.0025 -0.0004 431 LEU B CD2 3375 N N . GLU B 103 ? 0.3370 0.3927 0.4259 -0.0232 0.0046 0.0037 432 GLU B N 3376 C CA . GLU B 103 ? 0.3320 0.3915 0.4223 -0.0234 0.0041 0.0051 432 GLU B CA 3377 C C . GLU B 103 ? 0.3322 0.3934 0.4219 -0.0223 0.0056 0.0052 432 GLU B C 3378 O O . GLU B 103 ? 0.3777 0.4410 0.4667 -0.0229 0.0057 0.0056 432 GLU B O 3379 C CB . GLU B 103 ? 0.2961 0.3571 0.3892 -0.0236 0.0029 0.0068 432 GLU B CB 3380 C CG . GLU B 103 ? 0.3445 0.4043 0.4377 -0.0246 0.0013 0.0068 432 GLU B CG 3381 C CD . GLU B 103 ? 0.5059 0.5661 0.5972 -0.0252 0.0009 0.0061 432 GLU B CD 3382 O OE1 . GLU B 103 ? 0.5980 0.6596 0.6883 -0.0253 0.0010 0.0067 432 GLU B OE1 3383 O OE2 . GLU B 103 ? 0.5705 0.6302 0.6612 -0.0256 0.0004 0.0049 432 GLU B OE2 3384 N N . ASN B 104 ? 0.2421 0.3023 0.3314 -0.0203 0.0069 0.0049 433 ASN B N 3385 C CA . ASN B 104 ? 0.2790 0.3414 0.3677 -0.0185 0.0085 0.0049 433 ASN B CA 3386 C C . ASN B 104 ? 0.2687 0.3288 0.3535 -0.0189 0.0095 0.0032 433 ASN B C 3387 O O . ASN B 104 ? 0.3310 0.3940 0.4153 -0.0188 0.0103 0.0034 433 ASN B O 3388 C CB . ASN B 104 ? 0.2605 0.3220 0.3490 -0.0154 0.0097 0.0048 433 ASN B CB 3389 C CG . ASN B 104 ? 0.2565 0.3231 0.3492 -0.0147 0.0089 0.0066 433 ASN B CG 3390 O OD1 . ASN B 104 ? 0.2520 0.3224 0.3473 -0.0170 0.0079 0.0078 433 ASN B OD1 3391 N ND2 . ASN B 104 ? 0.2635 0.3298 0.3563 -0.0117 0.0094 0.0067 433 ASN B ND2 3392 N N . GLU B 105 ? 0.2806 0.3358 0.3626 -0.0198 0.0094 0.0015 434 GLU B N 3393 C CA . GLU B 105 ? 0.3394 0.3925 0.4173 -0.0208 0.0101 -0.0004 434 GLU B CA 3394 C C . GLU B 105 ? 0.3730 0.4300 0.4515 -0.0226 0.0090 0.0000 434 GLU B C 3395 O O . GLU B 105 ? 0.2903 0.3484 0.3665 -0.0225 0.0097 -0.0005 434 GLU B O 3396 C CB . GLU B 105 ? 0.3219 0.3694 0.3966 -0.0224 0.0101 -0.0024 434 GLU B CB 3397 C CG . GLU B 105 ? 0.4125 0.4585 0.4831 -0.0245 0.0104 -0.0045 434 GLU B CG 3398 C CD . GLU B 105 ? 0.5552 0.5965 0.6227 -0.0271 0.0103 -0.0065 434 GLU B CD 3399 O OE1 . GLU B 105 ? 0.5723 0.6094 0.6395 -0.0267 0.0107 -0.0063 434 GLU B OE1 3400 O OE2 . GLU B 105 ? 0.6022 0.6442 0.6675 -0.0299 0.0099 -0.0082 434 GLU B OE2 3401 N N . ARG B 106 ? 0.2654 0.3243 0.3465 -0.0238 0.0072 0.0011 435 ARG B N 3402 C CA . ARG B 106 ? 0.3119 0.3737 0.3928 -0.0249 0.0059 0.0016 435 ARG B CA 3403 C C . ARG B 106 ? 0.2716 0.3362 0.3533 -0.0243 0.0062 0.0036 435 ARG B C 3404 O O . ARG B 106 ? 0.2424 0.3086 0.3223 -0.0247 0.0060 0.0039 435 ARG B O 3405 C CB . ARG B 106 ? 0.2740 0.3363 0.3567 -0.0258 0.0040 0.0020 435 ARG B CB 3406 C CG . ARG B 106 ? 0.3595 0.4199 0.4415 -0.0270 0.0038 0.0001 435 ARG B CG 3407 C CD . ARG B 106 ? 0.4010 0.4630 0.4849 -0.0276 0.0022 0.0005 435 ARG B CD 3408 N NE . ARG B 106 ? 0.5260 0.5916 0.6093 -0.0275 0.0008 0.0008 435 ARG B NE 3409 C CZ . ARG B 106 ? 0.5248 0.5913 0.6088 -0.0263 -0.0002 0.0028 435 ARG B CZ 3410 N NH1 . ARG B 106 ? 0.4580 0.5226 0.5438 -0.0257 -0.0002 0.0044 435 ARG B NH1 3411 N NH2 . ARG B 106 ? 0.4526 0.5216 0.5351 -0.0257 -0.0014 0.0030 435 ARG B NH2 3412 N N . THR B 107 ? 0.2806 0.3462 0.3649 -0.0236 0.0068 0.0050 436 THR B N 3413 C CA . THR B 107 ? 0.2537 0.3226 0.3389 -0.0237 0.0074 0.0068 436 THR B CA 3414 C C . THR B 107 ? 0.2803 0.3507 0.3632 -0.0228 0.0093 0.0061 436 THR B C 3415 O O . THR B 107 ? 0.2593 0.3316 0.3407 -0.0235 0.0096 0.0071 436 THR B O 3416 C CB . THR B 107 ? 0.2753 0.3463 0.3640 -0.0234 0.0076 0.0081 436 THR B CB 3417 O OG1 . THR B 107 ? 0.2427 0.3122 0.3329 -0.0245 0.0058 0.0090 436 THR B OG1 3418 C CG2 . THR B 107 ? 0.2136 0.2890 0.3031 -0.0239 0.0088 0.0097 436 THR B CG2 3419 N N . LEU B 108 ? 0.2995 0.3683 0.3812 -0.0211 0.0106 0.0045 437 LEU B N 3420 C CA . LEU B 108 ? 0.3078 0.3774 0.3867 -0.0198 0.0126 0.0035 437 LEU B CA 3421 C C . LEU B 108 ? 0.3039 0.3723 0.3790 -0.0211 0.0122 0.0024 437 LEU B C 3422 O O . LEU B 108 ? 0.3245 0.3949 0.3975 -0.0209 0.0132 0.0026 437 LEU B O 3423 C CB . LEU B 108 ? 0.2454 0.3119 0.3227 -0.0173 0.0141 0.0018 437 LEU B CB 3424 C CG . LEU B 108 ? 0.3744 0.4427 0.4551 -0.0152 0.0145 0.0029 437 LEU B CG 3425 C CD1 . LEU B 108 ? 0.4383 0.5032 0.5159 -0.0117 0.0164 0.0013 437 LEU B CD1 3426 C CD2 . LEU B 108 ? 0.3308 0.4065 0.4155 -0.0153 0.0149 0.0051 437 LEU B CD2 3427 N N . ASP B 109 ? 0.3157 0.3813 0.3898 -0.0225 0.0106 0.0012 438 ASP B N 3428 C CA . ASP B 109 ? 0.3063 0.3720 0.3771 -0.0238 0.0096 0.0001 438 ASP B CA 3429 C C . ASP B 109 ? 0.2903 0.3591 0.3614 -0.0244 0.0086 0.0023 438 ASP B C 3430 O O . ASP B 109 ? 0.2713 0.3411 0.3391 -0.0246 0.0086 0.0020 438 ASP B O 3431 C CB . ASP B 109 ? 0.3576 0.4215 0.4283 -0.0254 0.0080 -0.0014 438 ASP B CB 3432 C CG . ASP B 109 ? 0.4395 0.4989 0.5078 -0.0257 0.0092 -0.0039 438 ASP B CG 3433 O OD1 . ASP B 109 ? 0.4559 0.5131 0.5211 -0.0246 0.0110 -0.0050 438 ASP B OD1 3434 O OD2 . ASP B 109 ? 0.5789 0.6365 0.6480 -0.0270 0.0083 -0.0047 438 ASP B OD2 3435 N N . LEU B 110 ? 0.2568 0.3262 0.3310 -0.0245 0.0077 0.0044 439 LEU B N 3436 C CA . LEU B 110 ? 0.3081 0.3785 0.3815 -0.0251 0.0068 0.0066 439 LEU B CA 3437 C C . LEU B 110 ? 0.3075 0.3800 0.3792 -0.0251 0.0086 0.0077 439 LEU B C 3438 O O . LEU B 110 ? 0.2888 0.3615 0.3569 -0.0253 0.0084 0.0084 439 LEU B O 3439 C CB . LEU B 110 ? 0.3162 0.3859 0.3927 -0.0255 0.0059 0.0085 439 LEU B CB 3440 C CG . LEU B 110 ? 0.3108 0.3798 0.3854 -0.0263 0.0053 0.0110 439 LEU B CG 3441 C CD1 . LEU B 110 ? 0.4245 0.4923 0.4959 -0.0256 0.0036 0.0110 439 LEU B CD1 3442 C CD2 . LEU B 110 ? 0.4089 0.4767 0.4860 -0.0272 0.0048 0.0125 439 LEU B CD2 3443 N N . HIS B 111 ? 0.2502 0.3244 0.3240 -0.0246 0.0105 0.0079 440 HIS B N 3444 C CA . HIS B 111 ? 0.2529 0.3302 0.3255 -0.0246 0.0126 0.0088 440 HIS B CA 3445 C C . HIS B 111 ? 0.2545 0.3316 0.3229 -0.0237 0.0135 0.0071 440 HIS B C 3446 O O . HIS B 111 ? 0.2549 0.3334 0.3202 -0.0242 0.0143 0.0080 440 HIS B O 3447 C CB . HIS B 111 ? 0.2069 0.2875 0.2830 -0.0236 0.0143 0.0089 440 HIS B CB 3448 C CG . HIS B 111 ? 0.2298 0.3120 0.3099 -0.0250 0.0136 0.0108 440 HIS B CG 3449 N ND1 . HIS B 111 ? 0.2565 0.3393 0.3362 -0.0275 0.0132 0.0131 440 HIS B ND1 3450 C CD2 . HIS B 111 ? 0.2464 0.3289 0.3302 -0.0243 0.0131 0.0106 440 HIS B CD2 3451 C CE1 . HIS B 111 ? 0.2513 0.3350 0.3345 -0.0287 0.0125 0.0141 440 HIS B CE1 3452 N NE2 . HIS B 111 ? 0.2679 0.3520 0.3539 -0.0266 0.0124 0.0126 440 HIS B NE2 3453 N N . ASP B 112 ? 0.2743 0.3490 0.3418 -0.0227 0.0135 0.0045 441 ASP B N 3454 C CA . ASP B 112 ? 0.2721 0.3456 0.3349 -0.0223 0.0142 0.0023 441 ASP B CA 3455 C C . ASP B 112 ? 0.3010 0.3747 0.3606 -0.0235 0.0124 0.0026 441 ASP B C 3456 O O . ASP B 112 ? 0.3537 0.4285 0.4095 -0.0234 0.0132 0.0024 441 ASP B O 3457 C CB . ASP B 112 ? 0.2843 0.3539 0.3464 -0.0217 0.0143 -0.0005 441 ASP B CB 3458 C CG . ASP B 112 ? 0.3813 0.4487 0.4379 -0.0215 0.0153 -0.0031 441 ASP B CG 3459 O OD1 . ASP B 112 ? 0.3618 0.4314 0.4156 -0.0211 0.0164 -0.0029 441 ASP B OD1 3460 O OD2 . ASP B 112 ? 0.4348 0.4980 0.4894 -0.0220 0.0151 -0.0056 441 ASP B OD2 3461 N N . ALA B 113 ? 0.2471 0.3202 0.3082 -0.0243 0.0101 0.0031 442 ALA B N 3462 C CA . ALA B 113 ? 0.2870 0.3609 0.3451 -0.0247 0.0082 0.0037 442 ALA B CA 3463 C C . ALA B 113 ? 0.2803 0.3551 0.3364 -0.0246 0.0087 0.0065 442 ALA B C 3464 O O . ALA B 113 ? 0.3174 0.3929 0.3691 -0.0244 0.0083 0.0067 442 ALA B O 3465 C CB . ALA B 113 ? 0.2167 0.2903 0.2771 -0.0249 0.0057 0.0039 442 ALA B CB 3466 N N . ASN B 114 ? 0.2748 0.3494 0.3335 -0.0251 0.0094 0.0087 443 ASN B N 3467 C CA . ASN B 114 ? 0.3110 0.3854 0.3672 -0.0259 0.0100 0.0116 443 ASN B CA 3468 C C . ASN B 114 ? 0.2898 0.3665 0.3429 -0.0259 0.0124 0.0116 443 ASN B C 3469 O O . ASN B 114 ? 0.3208 0.3970 0.3694 -0.0263 0.0125 0.0132 443 ASN B O 3470 C CB . ASN B 114 ? 0.2560 0.3299 0.3157 -0.0272 0.0104 0.0136 443 ASN B CB 3471 C CG . ASN B 114 ? 0.2627 0.3336 0.3240 -0.0270 0.0081 0.0141 443 ASN B CG 3472 O OD1 . ASN B 114 ? 0.2805 0.3497 0.3393 -0.0260 0.0061 0.0139 443 ASN B OD1 3473 N ND2 . ASN B 114 ? 0.3084 0.3793 0.3740 -0.0279 0.0082 0.0145 443 ASN B ND2 3474 N N . VAL B 115 ? 0.2522 0.3310 0.3071 -0.0252 0.0143 0.0097 444 VAL B N 3475 C CA . VAL B 115 ? 0.2844 0.3656 0.3363 -0.0248 0.0167 0.0093 444 VAL B CA 3476 C C . VAL B 115 ? 0.3235 0.4035 0.3700 -0.0242 0.0158 0.0076 444 VAL B C 3477 O O . VAL B 115 ? 0.3217 0.4025 0.3637 -0.0244 0.0166 0.0086 444 VAL B O 3478 C CB . VAL B 115 ? 0.2629 0.3461 0.3174 -0.0233 0.0190 0.0074 444 VAL B CB 3479 C CG1 . VAL B 115 ? 0.2017 0.2867 0.2520 -0.0221 0.0214 0.0062 444 VAL B CG1 3480 C CG2 . VAL B 115 ? 0.2360 0.3223 0.2955 -0.0238 0.0200 0.0093 444 VAL B CG2 3481 N N . LYS B 116 ? 0.2988 0.3770 0.3455 -0.0238 0.0141 0.0052 445 LYS B N 3482 C CA . LYS B 116 ? 0.2661 0.3440 0.3081 -0.0238 0.0128 0.0034 445 LYS B CA 3483 C C . LYS B 116 ? 0.3182 0.3966 0.3569 -0.0239 0.0110 0.0057 445 LYS B C 3484 O O . LYS B 116 ? 0.3279 0.4072 0.3614 -0.0236 0.0112 0.0056 445 LYS B O 3485 C CB . LYS B 116 ? 0.2760 0.3526 0.3196 -0.0242 0.0110 0.0007 445 LYS B CB 3486 C CG . LYS B 116 ? 0.3159 0.3935 0.3552 -0.0248 0.0094 -0.0016 445 LYS B CG 3487 C CD . LYS B 116 ? 0.4835 0.5601 0.5182 -0.0248 0.0114 -0.0041 445 LYS B CD 3488 C CE . LYS B 116 ? 0.5372 0.6149 0.5674 -0.0260 0.0096 -0.0067 445 LYS B CE 3489 N NZ . LYS B 116 ? 0.5502 0.6270 0.5825 -0.0278 0.0081 -0.0092 445 LYS B NZ 3490 N N . ASN B 117 ? 0.3444 0.4217 0.3853 -0.0239 0.0093 0.0079 446 ASN B N 3491 C CA . ASN B 117 ? 0.3700 0.4465 0.4069 -0.0233 0.0075 0.0102 446 ASN B CA 3492 C C . ASN B 117 ? 0.3848 0.4604 0.4177 -0.0238 0.0094 0.0129 446 ASN B C 3493 O O . ASN B 117 ? 0.4107 0.4858 0.4378 -0.0231 0.0088 0.0141 446 ASN B O 3494 C CB . ASN B 117 ? 0.2850 0.3594 0.3245 -0.0229 0.0055 0.0117 446 ASN B CB 3495 C CG . ASN B 117 ? 0.4646 0.5407 0.5077 -0.0225 0.0036 0.0091 446 ASN B CG 3496 O OD1 . ASN B 117 ? 0.5035 0.5823 0.5451 -0.0223 0.0026 0.0067 446 ASN B OD1 3497 N ND2 . ASN B 117 ? 0.4183 0.4930 0.4659 -0.0227 0.0031 0.0095 446 ASN B ND2 3498 N N . LEU B 118 ? 0.2990 0.3749 0.3347 -0.0251 0.0119 0.0139 447 LEU B N 3499 C CA . LEU B 118 ? 0.3252 0.4013 0.3577 -0.0263 0.0141 0.0163 447 LEU B CA 3500 C C . LEU B 118 ? 0.3935 0.4718 0.4213 -0.0256 0.0155 0.0149 447 LEU B C 3501 O O . LEU B 118 ? 0.4045 0.4820 0.4265 -0.0258 0.0160 0.0168 447 LEU B O 3502 C CB . LEU B 118 ? 0.3477 0.4258 0.3851 -0.0280 0.0165 0.0170 447 LEU B CB 3503 C CG . LEU B 118 ? 0.4429 0.5217 0.4776 -0.0302 0.0189 0.0199 447 LEU B CG 3504 C CD1 . LEU B 118 ? 0.3971 0.4702 0.4268 -0.0312 0.0173 0.0229 447 LEU B CD1 3505 C CD2 . LEU B 118 ? 0.3912 0.4737 0.4319 -0.0319 0.0208 0.0203 447 LEU B CD2 3506 N N . TYR B 119 ? 0.2972 0.3776 0.3269 -0.0248 0.0162 0.0116 448 TYR B N 3507 C CA . TYR B 119 ? 0.3014 0.3833 0.3263 -0.0240 0.0173 0.0096 448 TYR B CA 3508 C C . TYR B 119 ? 0.3324 0.4135 0.3518 -0.0234 0.0147 0.0094 448 TYR B C 3509 O O . TYR B 119 ? 0.3407 0.4225 0.3543 -0.0231 0.0155 0.0098 448 TYR B O 3510 C CB . TYR B 119 ? 0.2383 0.3208 0.2656 -0.0232 0.0182 0.0059 448 TYR B CB 3511 C CG . TYR B 119 ? 0.3207 0.4031 0.3424 -0.0226 0.0183 0.0030 448 TYR B CG 3512 C CD1 . TYR B 119 ? 0.3666 0.4504 0.3841 -0.0220 0.0211 0.0026 448 TYR B CD1 3513 C CD2 . TYR B 119 ? 0.3689 0.4503 0.3891 -0.0229 0.0156 0.0006 448 TYR B CD2 3514 C CE1 . TYR B 119 ? 0.3644 0.4478 0.3762 -0.0216 0.0211 -0.0002 448 TYR B CE1 3515 C CE2 . TYR B 119 ? 0.4238 0.5053 0.4384 -0.0229 0.0156 -0.0022 448 TYR B CE2 3516 C CZ . TYR B 119 ? 0.4212 0.5032 0.4314 -0.0222 0.0183 -0.0026 448 TYR B CZ 3517 O OH . TYR B 119 ? 0.4628 0.5444 0.4669 -0.0223 0.0182 -0.0056 448 TYR B OH 3518 N N . GLU B 120 ? 0.3852 0.4655 0.4063 -0.0229 0.0117 0.0088 449 GLU B N 3519 C CA . GLU B 120 ? 0.4087 0.4898 0.4253 -0.0219 0.0089 0.0086 449 GLU B CA 3520 C C . GLU B 120 ? 0.3855 0.4646 0.3970 -0.0211 0.0083 0.0125 449 GLU B C 3521 O O . GLU B 120 ? 0.4506 0.5305 0.4561 -0.0200 0.0073 0.0128 449 GLU B O 3522 C CB . GLU B 120 ? 0.4164 0.4983 0.4367 -0.0215 0.0059 0.0072 449 GLU B CB 3523 C CG . GLU B 120 ? 0.4560 0.5390 0.4799 -0.0227 0.0061 0.0033 449 GLU B CG 3524 C CD . GLU B 120 ? 0.5949 0.6798 0.6142 -0.0232 0.0061 0.0001 449 GLU B CD 3525 O OE1 . GLU B 120 ? 0.7340 0.8205 0.7478 -0.0225 0.0053 0.0008 449 GLU B OE1 3526 O OE2 . GLU B 120 ? 0.6619 0.7461 0.6824 -0.0245 0.0068 -0.0032 449 GLU B OE2 3527 N N . LYS B 121 ? 0.3504 0.4263 0.3638 -0.0217 0.0090 0.0155 450 LYS B N 3528 C CA . LYS B 121 ? 0.4391 0.5111 0.4468 -0.0213 0.0088 0.0194 450 LYS B CA 3529 C C . LYS B 121 ? 0.4719 0.5443 0.4736 -0.0221 0.0112 0.0205 450 LYS B C 3530 O O . LYS B 121 ? 0.5077 0.5775 0.5022 -0.0211 0.0105 0.0229 450 LYS B O 3531 C CB . LYS B 121 ? 0.4186 0.4867 0.4292 -0.0229 0.0096 0.0220 450 LYS B CB 3532 C CG . LYS B 121 ? 0.4266 0.4918 0.4392 -0.0214 0.0068 0.0226 450 LYS B CG 3533 C CD . LYS B 121 ? 0.6050 0.6656 0.6196 -0.0235 0.0079 0.0250 450 LYS B CD 3534 C CE . LYS B 121 ? 0.7475 0.8012 0.7542 -0.0239 0.0083 0.0290 450 LYS B CE 3535 N NZ . LYS B 121 ? 0.7210 0.7751 0.7230 -0.0260 0.0111 0.0305 450 LYS B NZ 3536 N N . VAL B 122 ? 0.3819 0.4573 0.3862 -0.0236 0.0141 0.0189 451 VAL B N 3537 C CA . VAL B 122 ? 0.4571 0.5336 0.4564 -0.0244 0.0169 0.0199 451 VAL B CA 3538 C C . VAL B 122 ? 0.4727 0.5514 0.4669 -0.0228 0.0161 0.0175 451 VAL B C 3539 O O . VAL B 122 ? 0.4768 0.5547 0.4637 -0.0224 0.0165 0.0192 451 VAL B O 3540 C CB . VAL B 122 ? 0.4371 0.5169 0.4413 -0.0261 0.0205 0.0191 451 VAL B CB 3541 C CG1 . VAL B 122 ? 0.3972 0.4796 0.3964 -0.0265 0.0236 0.0193 451 VAL B CG1 3542 C CG2 . VAL B 122 ? 0.4113 0.4896 0.4194 -0.0283 0.0214 0.0218 451 VAL B CG2 3543 N N . LYS B 123 ? 0.4266 0.5078 0.4241 -0.0221 0.0149 0.0136 452 LYS B N 3544 C CA . LYS B 123 ? 0.4583 0.5415 0.4510 -0.0211 0.0139 0.0108 452 LYS B CA 3545 C C . LYS B 123 ? 0.4812 0.5641 0.4684 -0.0196 0.0106 0.0124 452 LYS B C 3546 O O . LYS B 123 ? 0.5416 0.6258 0.5221 -0.0188 0.0103 0.0120 452 LYS B O 3547 C CB . LYS B 123 ? 0.3998 0.4846 0.3967 -0.0214 0.0129 0.0065 452 LYS B CB 3548 C CG . LYS B 123 ? 0.4402 0.5271 0.4321 -0.0210 0.0109 0.0035 452 LYS B CG 3549 C CD . LYS B 123 ? 0.5408 0.6280 0.5349 -0.0221 0.0113 -0.0011 452 LYS B CD 3550 C CE . LYS B 123 ? 0.6605 0.7484 0.6476 -0.0223 0.0122 -0.0039 452 LYS B CE 3551 N NZ . LYS B 123 ? 0.7153 0.8010 0.7028 -0.0232 0.0141 -0.0080 452 LYS B NZ 3552 N N . SER B 124 ? 0.4725 0.5538 0.4623 -0.0187 0.0082 0.0141 453 SER B N 3553 C CA . SER B 124 ? 0.4920 0.5733 0.4770 -0.0163 0.0049 0.0156 453 SER B CA 3554 C C . SER B 124 ? 0.4992 0.5766 0.4759 -0.0155 0.0058 0.0197 453 SER B C 3555 O O . SER B 124 ? 0.5228 0.6009 0.4929 -0.0132 0.0037 0.0205 453 SER B O 3556 C CB . SER B 124 ? 0.3832 0.4631 0.3727 -0.0152 0.0025 0.0166 453 SER B CB 3557 O OG . SER B 124 ? 0.5375 0.6162 0.5215 -0.0121 -0.0002 0.0191 453 SER B OG 3558 N N . GLN B 125 ? 0.5250 0.5985 0.5018 -0.0174 0.0089 0.0223 454 GLN B N 3559 C CA . GLN B 125 ? 0.5218 0.5908 0.4904 -0.0175 0.0102 0.0263 454 GLN B CA 3560 C C . GLN B 125 ? 0.6045 0.6760 0.5672 -0.0179 0.0122 0.0256 454 GLN B C 3561 O O . GLN B 125 ? 0.6373 0.7064 0.5913 -0.0167 0.0118 0.0281 454 GLN B O 3562 C CB . GLN B 125 ? 0.5525 0.6172 0.5232 -0.0204 0.0131 0.0292 454 GLN B CB 3563 C CG . GLN B 125 ? 0.5273 0.5869 0.5001 -0.0200 0.0114 0.0312 454 GLN B CG 3564 C CD . GLN B 125 ? 0.6483 0.7034 0.6215 -0.0236 0.0143 0.0341 454 GLN B CD 3565 O OE1 . GLN B 125 ? 0.6919 0.7399 0.6577 -0.0241 0.0146 0.0378 454 GLN B OE1 3566 N NE2 . GLN B 125 ? 0.5416 0.6007 0.5228 -0.0263 0.0164 0.0323 454 GLN B NE2 3567 N N . LEU B 126 ? 0.5583 0.6342 0.5253 -0.0194 0.0145 0.0224 455 LEU B N 3568 C CA . LEU B 126 ? 0.6110 0.6889 0.5727 -0.0201 0.0173 0.0218 455 LEU B CA 3569 C C . LEU B 126 ? 0.6021 0.6830 0.5586 -0.0182 0.0150 0.0191 455 LEU B C 3570 O O . LEU B 126 ? 0.6706 0.7512 0.6190 -0.0177 0.0157 0.0204 455 LEU B O 3571 C CB . LEU B 126 ? 0.5088 0.5900 0.4765 -0.0219 0.0208 0.0194 455 LEU B CB 3572 C CG . LEU B 126 ? 0.5150 0.5950 0.4883 -0.0242 0.0232 0.0218 455 LEU B CG 3573 C CD1 . LEU B 126 ? 0.4711 0.5556 0.4491 -0.0251 0.0269 0.0196 455 LEU B CD1 3574 C CD2 . LEU B 126 ? 0.5030 0.5790 0.4704 -0.0257 0.0244 0.0266 455 LEU B CD2 3575 N N . ARG B 127 ? 0.6905 0.7743 0.6514 -0.0176 0.0125 0.0154 456 ARG B N 3576 C CA . ARG B 127 ? 0.6855 0.7729 0.6421 -0.0164 0.0099 0.0125 456 ARG B CA 3577 C C . ARG B 127 ? 0.7354 0.8245 0.6871 -0.0171 0.0125 0.0102 456 ARG B C 3578 O O . ARG B 127 ? 0.7535 0.8428 0.7086 -0.0185 0.0153 0.0077 456 ARG B O 3579 C CB . ARG B 127 ? 0.7197 0.8067 0.6695 -0.0138 0.0067 0.0153 456 ARG B CB 3580 C CG . ARG B 127 ? 0.7625 0.8463 0.7147 -0.0122 0.0046 0.0185 456 ARG B CG 3581 C CD . ARG B 127 ? 0.8400 0.9239 0.7843 -0.0087 0.0013 0.0208 456 ARG B CD 3582 N NE . ARG B 127 ? 0.8388 0.9246 0.7866 -0.0062 -0.0025 0.0207 456 ARG B NE 3583 C CZ . ARG B 127 ? 0.7702 0.8606 0.7142 -0.0029 -0.0064 0.0203 456 ARG B CZ 3584 N NH1 . ARG B 127 ? 0.8100 0.9032 0.7464 -0.0020 -0.0071 0.0199 456 ARG B NH1 3585 N NH2 . ARG B 127 ? 0.8494 0.9422 0.7972 -0.0005 -0.0095 0.0202 456 ARG B NH2 3586 N N . ASP B 128 ? 0.8250 0.9148 0.7679 -0.0159 0.0114 0.0111 457 ASP B N 3587 C CA . ASP B 128 ? 0.8169 0.9081 0.7533 -0.0163 0.0137 0.0093 457 ASP B CA 3588 C C . ASP B 128 ? 0.7262 0.8154 0.6618 -0.0174 0.0186 0.0113 457 ASP B C 3589 O O . ASP B 128 ? 0.7427 0.8334 0.6764 -0.0179 0.0214 0.0087 457 ASP B O 3590 C CB . ASP B 128 ? 0.8453 0.9375 0.7720 -0.0144 0.0113 0.0108 457 ASP B CB 3591 C CG . ASP B 128 ? 0.9695 1.0659 0.8958 -0.0134 0.0066 0.0081 457 ASP B CG 3592 O OD1 . ASP B 128 ? 1.0389 1.1358 0.9672 -0.0116 0.0033 0.0101 457 ASP B OD1 3593 O OD2 . ASP B 128 ? 1.0944 1.1940 1.0182 -0.0143 0.0061 0.0038 457 ASP B OD2 3594 N N . ASN B 129 ? 0.5579 0.6441 0.4948 -0.0179 0.0197 0.0158 458 ASN B N 3595 C CA . ASN B 129 ? 0.5918 0.6770 0.5266 -0.0194 0.0242 0.0186 458 ASN B CA 3596 C C . ASN B 129 ? 0.5481 0.6357 0.4903 -0.0209 0.0279 0.0167 458 ASN B C 3597 O O . ASN B 129 ? 0.5127 0.6013 0.4538 -0.0222 0.0319 0.0185 458 ASN B O 3598 C CB . ASN B 129 ? 0.5502 0.6307 0.4831 -0.0200 0.0240 0.0240 458 ASN B CB 3599 C CG . ASN B 129 ? 0.6026 0.6802 0.5252 -0.0182 0.0218 0.0267 458 ASN B CG 3600 O OD1 . ASN B 129 ? 0.6308 0.7108 0.5474 -0.0168 0.0209 0.0248 458 ASN B OD1 3601 N ND2 . ASN B 129 ? 0.6728 0.7446 0.5924 -0.0180 0.0209 0.0312 458 ASN B ND2 3602 N N . ALA B 130 ? 0.5969 0.6856 0.5462 -0.0205 0.0267 0.0131 459 ALA B N 3603 C CA . ALA B 130 ? 0.5722 0.6630 0.5277 -0.0210 0.0300 0.0111 459 ALA B CA 3604 C C . ALA B 130 ? 0.5630 0.6543 0.5201 -0.0200 0.0290 0.0058 459 ALA B C 3605 O O . ALA B 130 ? 0.5636 0.6540 0.5196 -0.0197 0.0253 0.0039 459 ALA B O 3606 C CB . ALA B 130 ? 0.5036 0.5938 0.4674 -0.0223 0.0303 0.0133 459 ALA B CB 3607 N N . ASN B 131 ? 0.5468 0.6395 0.5060 -0.0194 0.0324 0.0034 460 ASN B N 3608 C CA . ASN B 131 ? 0.5072 0.5986 0.4674 -0.0185 0.0321 -0.0016 460 ASN B CA 3609 C C . ASN B 131 ? 0.5541 0.6447 0.5233 -0.0184 0.0322 -0.0022 460 ASN B C 3610 O O . ASN B 131 ? 0.5236 0.6164 0.4975 -0.0180 0.0351 -0.0006 460 ASN B O 3611 C CB . ASN B 131 ? 0.5506 0.6429 0.5055 -0.0170 0.0360 -0.0041 460 ASN B CB 3612 C CG . ASN B 131 ? 0.6180 0.7072 0.5726 -0.0159 0.0362 -0.0093 460 ASN B CG 3613 O OD1 . ASN B 131 ? 0.6832 0.7696 0.6385 -0.0169 0.0330 -0.0116 460 ASN B OD1 3614 N ND2 . ASN B 131 ? 0.6928 0.7824 0.6458 -0.0138 0.0402 -0.0111 460 ASN B ND2 3615 N N . ASP B 132 ? 0.6332 0.7214 0.6049 -0.0189 0.0289 -0.0043 461 ASP B N 3616 C CA . ASP B 132 ? 0.5112 0.5980 0.4907 -0.0189 0.0287 -0.0051 461 ASP B CA 3617 C C . ASP B 132 ? 0.5190 0.6038 0.4978 -0.0173 0.0314 -0.0089 461 ASP B C 3618 O O . ASP B 132 ? 0.5342 0.6158 0.5081 -0.0174 0.0306 -0.0128 461 ASP B O 3619 C CB . ASP B 132 ? 0.5163 0.6015 0.4981 -0.0202 0.0244 -0.0060 461 ASP B CB 3620 C CG . ASP B 132 ? 0.5394 0.6229 0.5289 -0.0203 0.0240 -0.0066 461 ASP B CG 3621 O OD1 . ASP B 132 ? 0.5070 0.5903 0.4998 -0.0191 0.0269 -0.0067 461 ASP B OD1 3622 O OD2 . ASP B 132 ? 0.4814 0.5643 0.4736 -0.0214 0.0208 -0.0069 461 ASP B OD2 3623 N N . LEU B 133 ? 0.5362 0.6228 0.5193 -0.0158 0.0345 -0.0079 462 LEU B N 3624 C CA . LEU B 133 ? 0.5425 0.6271 0.5243 -0.0132 0.0375 -0.0112 462 LEU B CA 3625 C C . LEU B 133 ? 0.5342 0.6137 0.5192 -0.0128 0.0362 -0.0139 462 LEU B C 3626 O O . LEU B 133 ? 0.5835 0.6595 0.5661 -0.0104 0.0384 -0.0168 462 LEU B O 3627 C CB . LEU B 133 ? 0.5655 0.6555 0.5508 -0.0111 0.0414 -0.0092 462 LEU B CB 3628 C CG . LEU B 133 ? 0.6571 0.7519 0.6379 -0.0111 0.0440 -0.0073 462 LEU B CG 3629 C CD1 . LEU B 133 ? 0.6333 0.7347 0.6184 -0.0092 0.0481 -0.0058 462 LEU B CD1 3630 C CD2 . LEU B 133 ? 0.5998 0.6917 0.5712 -0.0099 0.0448 -0.0107 462 LEU B CD2 3631 N N . GLY B 134 ? 0.4865 0.5652 0.4762 -0.0149 0.0329 -0.0128 463 GLY B N 3632 C CA . GLY B 134 ? 0.4601 0.5338 0.4523 -0.0152 0.0316 -0.0152 463 GLY B CA 3633 C C . GLY B 134 ? 0.4924 0.5666 0.4920 -0.0136 0.0327 -0.0137 463 GLY B C 3634 O O . GLY B 134 ? 0.4591 0.5289 0.4607 -0.0136 0.0318 -0.0154 463 GLY B O 3635 N N . ASN B 135 ? 0.4419 0.5220 0.4455 -0.0124 0.0347 -0.0106 464 ASN B N 3636 C CA . ASN B 135 ? 0.4128 0.4951 0.4234 -0.0108 0.0359 -0.0091 464 ASN B CA 3637 C C . ASN B 135 ? 0.4043 0.4920 0.4211 -0.0129 0.0350 -0.0049 464 ASN B C 3638 O O . ASN B 135 ? 0.3951 0.4871 0.4174 -0.0119 0.0365 -0.0031 464 ASN B O 3639 C CB . ASN B 135 ? 0.4532 0.5383 0.4626 -0.0070 0.0400 -0.0100 464 ASN B CB 3640 C CG . ASN B 135 ? 0.5108 0.6020 0.5176 -0.0072 0.0422 -0.0082 464 ASN B CG 3641 O OD1 . ASN B 135 ? 0.4743 0.5660 0.4785 -0.0100 0.0406 -0.0068 464 ASN B OD1 3642 N ND2 . ASN B 135 ? 0.4234 0.5197 0.4307 -0.0040 0.0459 -0.0082 464 ASN B ND2 3643 N N . GLY B 136 ? 0.3955 0.4828 0.4110 -0.0156 0.0324 -0.0033 465 GLY B N 3644 C CA . GLY B 136 ? 0.3970 0.4876 0.4164 -0.0177 0.0315 0.0007 465 GLY B CA 3645 C C . GLY B 136 ? 0.4311 0.5260 0.4477 -0.0185 0.0337 0.0032 465 GLY B C 3646 O O . GLY B 136 ? 0.4501 0.5471 0.4691 -0.0206 0.0335 0.0066 465 GLY B O 3647 N N . CYS B 137 ? 0.4766 0.5725 0.4876 -0.0170 0.0360 0.0016 466 CYS B N 3648 C CA . CYS B 137 ? 0.4999 0.6001 0.5075 -0.0179 0.0384 0.0039 466 CYS B CA 3649 C C . CYS B 137 ? 0.5164 0.6139 0.5159 -0.0186 0.0371 0.0037 466 CYS B C 3650 O O . CYS B 137 ? 0.5346 0.6286 0.5302 -0.0176 0.0357 0.0005 466 CYS B O 3651 C CB . CYS B 137 ? 0.4906 0.5957 0.4981 -0.0153 0.0427 0.0026 466 CYS B CB 3652 S SG . CYS B 137 ? 0.6320 0.7430 0.6490 -0.0142 0.0445 0.0036 466 CYS B SG 3653 N N . PHE B 138 ? 0.4244 0.5235 0.4212 -0.0206 0.0375 0.0071 467 PHE B N 3654 C CA . PHE B 138 ? 0.5042 0.6014 0.4928 -0.0210 0.0365 0.0075 467 PHE B CA 3655 C C . PHE B 138 ? 0.5263 0.6274 0.5102 -0.0213 0.0402 0.0089 467 PHE B C 3656 O O . PHE B 138 ? 0.4884 0.5927 0.4746 -0.0231 0.0423 0.0121 467 PHE B O 3657 C CB . PHE B 138 ? 0.4782 0.5721 0.4658 -0.0227 0.0331 0.0105 467 PHE B CB 3658 C CG . PHE B 138 ? 0.4842 0.5751 0.4761 -0.0224 0.0294 0.0091 467 PHE B CG 3659 C CD1 . PHE B 138 ? 0.4840 0.5747 0.4833 -0.0231 0.0289 0.0101 467 PHE B CD1 3660 C CD2 . PHE B 138 ? 0.5122 0.6011 0.5005 -0.0216 0.0264 0.0066 467 PHE B CD2 3661 C CE1 . PHE B 138 ? 0.4432 0.5314 0.4462 -0.0228 0.0257 0.0088 467 PHE B CE1 3662 C CE2 . PHE B 138 ? 0.4778 0.5649 0.4700 -0.0216 0.0232 0.0053 467 PHE B CE2 3663 C CZ . PHE B 138 ? 0.4346 0.5211 0.4341 -0.0221 0.0229 0.0064 467 PHE B CZ 3664 N N . GLU B 139 ? 0.6381 0.7389 0.6151 -0.0197 0.0412 0.0065 468 GLU B N 3665 C CA . GLU B 139 ? 0.5622 0.6666 0.5336 -0.0199 0.0447 0.0079 468 GLU B CA 3666 C C . GLU B 139 ? 0.5583 0.6599 0.5221 -0.0214 0.0429 0.0104 468 GLU B C 3667 O O . GLU B 139 ? 0.6352 0.7336 0.5939 -0.0205 0.0401 0.0085 468 GLU B O 3668 C CB . GLU B 139 ? 0.5888 0.6943 0.5562 -0.0171 0.0472 0.0038 468 GLU B CB 3669 C CG . GLU B 139 ? 0.7193 0.8288 0.6926 -0.0148 0.0504 0.0021 468 GLU B CG 3670 C CD . GLU B 139 ? 0.8929 1.0022 0.8609 -0.0113 0.0530 -0.0020 468 GLU B CD 3671 O OE1 . GLU B 139 ? 0.9065 1.0131 0.8662 -0.0113 0.0525 -0.0035 468 GLU B OE1 3672 O OE2 . GLU B 139 ? 0.9143 1.0258 0.8860 -0.0084 0.0554 -0.0039 468 GLU B OE2 3673 N N . PHE B 140 ? 0.3885 0.4912 0.3510 -0.0238 0.0443 0.0148 469 PHE B N 3674 C CA . PHE B 140 ? 0.4868 0.5860 0.4411 -0.0249 0.0428 0.0178 469 PHE B CA 3675 C C . PHE B 140 ? 0.5025 0.6028 0.4476 -0.0237 0.0445 0.0166 469 PHE B C 3676 O O . PHE B 140 ? 0.5222 0.6270 0.4668 -0.0232 0.0484 0.0152 469 PHE B O 3677 C CB . PHE B 140 ? 0.5140 0.6129 0.4682 -0.0283 0.0446 0.0228 469 PHE B CB 3678 C CG . PHE B 140 ? 0.4480 0.5438 0.4084 -0.0297 0.0422 0.0246 469 PHE B CG 3679 C CD1 . PHE B 140 ? 0.4470 0.5362 0.4036 -0.0299 0.0386 0.0270 469 PHE B CD1 3680 C CD2 . PHE B 140 ? 0.4392 0.5388 0.4089 -0.0306 0.0435 0.0239 469 PHE B CD2 3681 C CE1 . PHE B 140 ? 0.4895 0.5753 0.4511 -0.0310 0.0366 0.0286 469 PHE B CE1 3682 C CE2 . PHE B 140 ? 0.4491 0.5456 0.4241 -0.0321 0.0413 0.0256 469 PHE B CE2 3683 C CZ . PHE B 140 ? 0.4426 0.5320 0.4135 -0.0324 0.0379 0.0278 469 PHE B CZ 3684 N N . TRP B 141 ? 0.5266 0.6232 0.4643 -0.0231 0.0414 0.0170 470 TRP B N 3685 C CA . TRP B 141 ? 0.6569 0.7542 0.5849 -0.0222 0.0428 0.0163 470 TRP B CA 3686 C C . TRP B 141 ? 0.7383 0.8351 0.6600 -0.0242 0.0451 0.0212 470 TRP B C 3687 O O . TRP B 141 ? 0.7814 0.8791 0.6949 -0.0239 0.0470 0.0214 470 TRP B O 3688 C CB . TRP B 141 ? 0.5610 0.6556 0.4836 -0.0204 0.0383 0.0141 470 TRP B CB 3689 C CG . TRP B 141 ? 0.6698 0.7649 0.5967 -0.0191 0.0366 0.0088 470 TRP B CG 3690 C CD1 . TRP B 141 ? 0.5868 0.6802 0.5181 -0.0189 0.0324 0.0073 470 TRP B CD1 3691 C CD2 . TRP B 141 ? 0.6906 0.7875 0.6173 -0.0180 0.0392 0.0044 470 TRP B CD2 3692 N NE1 . TRP B 141 ? 0.6093 0.7029 0.5428 -0.0182 0.0323 0.0023 470 TRP B NE1 3693 C CE2 . TRP B 141 ? 0.5983 0.6933 0.5287 -0.0175 0.0364 0.0004 470 TRP B CE2 3694 C CE3 . TRP B 141 ? 0.7199 0.8195 0.6430 -0.0172 0.0439 0.0034 470 TRP B CE3 3695 C CZ2 . TRP B 141 ? 0.6998 0.7942 0.6297 -0.0163 0.0380 -0.0045 470 TRP B CZ2 3696 C CZ3 . TRP B 141 ? 0.7029 0.8024 0.6258 -0.0154 0.0454 -0.0015 470 TRP B CZ3 3697 C CH2 . TRP B 141 ? 0.7538 0.8500 0.6798 -0.0150 0.0425 -0.0054 470 TRP B CH2 3698 N N . HIS B 142 ? 0.6630 0.7576 0.5882 -0.0266 0.0451 0.0251 471 HIS B N 3699 C CA . HIS B 142 ? 0.6514 0.7441 0.5705 -0.0295 0.0475 0.0301 471 HIS B CA 3700 C C . HIS B 142 ? 0.7346 0.8306 0.6608 -0.0329 0.0509 0.0320 471 HIS B C 3701 O O . HIS B 142 ? 0.7037 0.8020 0.6396 -0.0327 0.0503 0.0302 471 HIS B O 3702 C CB . HIS B 142 ? 0.6674 0.7521 0.5807 -0.0293 0.0436 0.0336 471 HIS B CB 3703 C CG . HIS B 142 ? 0.7066 0.7882 0.6275 -0.0295 0.0406 0.0341 471 HIS B CG 3704 N ND1 . HIS B 142 ? 0.6920 0.7712 0.6163 -0.0329 0.0420 0.0374 471 HIS B ND1 3705 C CD2 . HIS B 142 ? 0.6542 0.7348 0.5798 -0.0270 0.0363 0.0315 471 HIS B CD2 3706 C CE1 . HIS B 142 ? 0.6562 0.7327 0.5867 -0.0321 0.0387 0.0368 471 HIS B CE1 3707 N NE2 . HIS B 142 ? 0.6687 0.7463 0.6002 -0.0285 0.0353 0.0334 471 HIS B NE2 3708 N N . LYS B 143 ? 0.6782 0.7748 0.5996 -0.0363 0.0545 0.0358 472 LYS B N 3709 C CA . LYS B 143 ? 0.6771 0.7775 0.6048 -0.0405 0.0577 0.0379 472 LYS B CA 3710 C C . LYS B 143 ? 0.6923 0.7861 0.6235 -0.0424 0.0546 0.0402 472 LYS B C 3711 O O . LYS B 143 ? 0.6104 0.6953 0.5347 -0.0424 0.0519 0.0430 472 LYS B O 3712 C CB . LYS B 143 ? 0.6568 0.7590 0.5775 -0.0445 0.0622 0.0415 472 LYS B CB 3713 C CG . LYS B 143 ? 0.6942 0.8058 0.6143 -0.0434 0.0666 0.0391 472 LYS B CG 3714 C CD . LYS B 143 ? 0.6847 0.8061 0.6166 -0.0424 0.0686 0.0358 472 LYS B CD 3715 C CE . LYS B 143 ? 0.7958 0.9255 0.7269 -0.0392 0.0721 0.0324 472 LYS B CE 3716 N NZ . LYS B 143 ? 0.8303 0.9648 0.7548 -0.0421 0.0770 0.0350 472 LYS B NZ 3717 N N . CYS B 144 ? 0.6760 0.7742 0.6178 -0.0435 0.0550 0.0390 473 CYS B N 3718 C CA . CYS B 144 ? 0.6542 0.7469 0.6001 -0.0453 0.0524 0.0407 473 CYS B CA 3719 C C . CYS B 144 ? 0.6796 0.7768 0.6305 -0.0507 0.0557 0.0429 473 CYS B C 3720 O O . CYS B 144 ? 0.6495 0.7551 0.6101 -0.0506 0.0570 0.0406 473 CYS B O 3721 C CB . CYS B 144 ? 0.6439 0.7371 0.5982 -0.0415 0.0488 0.0369 473 CYS B CB 3722 S SG . CYS B 144 ? 0.6967 0.7818 0.6546 -0.0424 0.0447 0.0387 473 CYS B SG 3723 N N . ASP B 145 ? 0.5989 0.6904 0.5426 -0.0554 0.0571 0.0473 474 ASP B N 3724 C CA . ASP B 145 ? 0.6074 0.7031 0.5549 -0.0617 0.0603 0.0495 474 ASP B CA 3725 C C . ASP B 145 ? 0.5840 0.6762 0.5385 -0.0630 0.0575 0.0495 474 ASP B C 3726 O O . ASP B 145 ? 0.5501 0.6391 0.5084 -0.0585 0.0536 0.0472 474 ASP B O 3727 C CB . ASP B 145 ? 0.5504 0.6403 0.4869 -0.0671 0.0630 0.0542 474 ASP B CB 3728 C CG . ASP B 145 ? 0.6709 0.7451 0.5972 -0.0666 0.0596 0.0573 474 ASP B CG 3729 O OD1 . ASP B 145 ? 0.7260 0.7944 0.6551 -0.0631 0.0552 0.0561 474 ASP B OD1 3730 O OD2 . ASP B 145 ? 0.6690 0.7365 0.5841 -0.0698 0.0614 0.0610 474 ASP B OD2 3731 N N . ASN B 146 ? 0.6142 0.7071 0.5702 -0.0693 0.0595 0.0520 475 ASN B N 3732 C CA . ASN B 146 ? 0.5869 0.6778 0.5500 -0.0710 0.0573 0.0517 475 ASN B CA 3733 C C . ASN B 146 ? 0.5949 0.6708 0.5522 -0.0698 0.0531 0.0534 475 ASN B C 3734 O O . ASN B 146 ? 0.6042 0.6784 0.5679 -0.0678 0.0500 0.0518 475 ASN B O 3735 C CB . ASN B 146 ? 0.4658 0.5618 0.4313 -0.0789 0.0607 0.0539 475 ASN B CB 3736 C CG . ASN B 146 ? 0.4876 0.6008 0.4627 -0.0793 0.0641 0.0515 475 ASN B CG 3737 O OD1 . ASN B 146 ? 0.5250 0.6452 0.5043 -0.0735 0.0642 0.0483 475 ASN B OD1 3738 N ND2 . ASN B 146 ? 0.5052 0.6254 0.4835 -0.0862 0.0670 0.0530 475 ASN B ND2 3739 N N . GLU B 147 ? 0.7154 0.7806 0.6604 -0.0706 0.0530 0.0567 476 GLU B N 3740 C CA . GLU B 147 ? 0.7251 0.7761 0.6637 -0.0683 0.0490 0.0584 476 GLU B CA 3741 C C . GLU B 147 ? 0.7047 0.7557 0.6450 -0.0604 0.0451 0.0554 476 GLU B C 3742 O O . GLU B 147 ? 0.7084 0.7534 0.6501 -0.0573 0.0413 0.0549 476 GLU B O 3743 C CB . GLU B 147 ? 0.7785 0.8173 0.7023 -0.0711 0.0501 0.0630 476 GLU B CB 3744 C CG . GLU B 147 ? 0.7896 0.8235 0.7102 -0.0794 0.0528 0.0662 476 GLU B CG 3745 C CD . GLU B 147 ? 1.0017 1.0211 0.9061 -0.0821 0.0538 0.0710 476 GLU B CD 3746 O OE1 . GLU B 147 ? 0.9907 1.0071 0.8869 -0.0781 0.0535 0.0719 476 GLU B OE1 3747 O OE2 . GLU B 147 ? 1.0154 1.0257 0.9147 -0.0883 0.0549 0.0738 476 GLU B OE2 3748 N N . CYS B 148 ? 0.5951 0.6534 0.5353 -0.0574 0.0462 0.0534 477 CYS B N 3749 C CA . CYS B 148 ? 0.6069 0.6670 0.5495 -0.0508 0.0428 0.0500 477 CYS B CA 3750 C C . CYS B 148 ? 0.6457 0.7117 0.6008 -0.0491 0.0411 0.0464 477 CYS B C 3751 O O . CYS B 148 ? 0.6468 0.7090 0.6039 -0.0456 0.0372 0.0450 477 CYS B O 3752 C CB . CYS B 148 ? 0.6070 0.6739 0.5470 -0.0487 0.0447 0.0482 477 CYS B CB 3753 S SG . CYS B 148 ? 0.7631 0.8342 0.7075 -0.0420 0.0413 0.0431 477 CYS B SG 3754 N N . MET B 149 ? 0.5888 0.6643 0.5520 -0.0516 0.0441 0.0449 478 MET B N 3755 C CA . MET B 149 ? 0.5510 0.6319 0.5256 -0.0505 0.0430 0.0419 478 MET B CA 3756 C C . MET B 149 ? 0.5494 0.6227 0.5257 -0.0516 0.0400 0.0432 478 MET B C 3757 O O . MET B 149 ? 0.5406 0.6130 0.5220 -0.0482 0.0369 0.0409 478 MET B O 3758 C CB . MET B 149 ? 0.5510 0.6428 0.5328 -0.0536 0.0469 0.0412 478 MET B CB 3759 C CG . MET B 149 ? 0.5787 0.6798 0.5614 -0.0512 0.0497 0.0388 478 MET B CG 3760 S SD . MET B 149 ? 0.5904 0.6923 0.5765 -0.0442 0.0469 0.0339 478 MET B SD 3761 C CE . MET B 149 ? 0.4616 0.5738 0.4478 -0.0423 0.0512 0.0314 478 MET B CE 3762 N N . GLU B 150 ? 0.4884 0.5556 0.4597 -0.0564 0.0411 0.0469 479 GLU B N 3763 C CA . GLU B 150 ? 0.5617 0.6213 0.5340 -0.0580 0.0388 0.0481 479 GLU B CA 3764 C C . GLU B 150 ? 0.6092 0.6586 0.5759 -0.0532 0.0346 0.0485 479 GLU B C 3765 O O . GLU B 150 ? 0.5844 0.6296 0.5545 -0.0520 0.0319 0.0479 479 GLU B O 3766 C CB . GLU B 150 ? 0.6128 0.6673 0.5797 -0.0649 0.0413 0.0519 479 GLU B CB 3767 C CG . GLU B 150 ? 0.6452 0.6918 0.6129 -0.0674 0.0393 0.0530 479 GLU B CG 3768 C CD . GLU B 150 ? 0.7005 0.7560 0.6808 -0.0683 0.0390 0.0503 479 GLU B CD 3769 O OE1 . GLU B 150 ? 0.7716 0.8216 0.7542 -0.0672 0.0362 0.0498 479 GLU B OE1 3770 O OE2 . GLU B 150 ? 0.5910 0.6591 0.5785 -0.0697 0.0416 0.0487 479 GLU B OE2 3771 N N . SER B 151 ? 0.5936 0.6398 0.5519 -0.0503 0.0341 0.0493 480 SER B N 3772 C CA . SER B 151 ? 0.5795 0.6179 0.5325 -0.0452 0.0301 0.0496 480 SER B CA 3773 C C . SER B 151 ? 0.5573 0.6022 0.5183 -0.0404 0.0273 0.0454 480 SER B C 3774 O O . SER B 151 ? 0.5522 0.5931 0.5130 -0.0367 0.0238 0.0448 480 SER B O 3775 C CB . SER B 151 ? 0.5236 0.5568 0.4645 -0.0436 0.0303 0.0520 480 SER B CB 3776 O OG . SER B 151 ? 0.5362 0.5780 0.4781 -0.0416 0.0313 0.0496 480 SER B OG 3777 N N . VAL B 152 ? 0.4686 0.5236 0.4363 -0.0404 0.0291 0.0423 481 VAL B N 3778 C CA . VAL B 152 ? 0.4847 0.5452 0.4600 -0.0367 0.0270 0.0381 481 VAL B CA 3779 C C . VAL B 152 ? 0.4762 0.5365 0.4600 -0.0375 0.0257 0.0373 481 VAL B C 3780 O O . VAL B 152 ? 0.4919 0.5509 0.4785 -0.0346 0.0225 0.0356 481 VAL B O 3781 C CB . VAL B 152 ? 0.4612 0.5309 0.4404 -0.0364 0.0295 0.0351 481 VAL B CB 3782 C CG1 . VAL B 152 ? 0.4025 0.4763 0.3895 -0.0334 0.0275 0.0309 481 VAL B CG1 3783 C CG2 . VAL B 152 ? 0.4646 0.5346 0.4353 -0.0352 0.0304 0.0355 481 VAL B CG2 3784 N N . LYS B 153 ? 0.4918 0.5540 0.4793 -0.0418 0.0282 0.0384 482 LYS B N 3785 C CA . LYS B 153 ? 0.4973 0.5597 0.4925 -0.0430 0.0272 0.0377 482 LYS B CA 3786 C C . LYS B 153 ? 0.5080 0.5604 0.4996 -0.0429 0.0245 0.0398 482 LYS B C 3787 O O . LYS B 153 ? 0.5327 0.5849 0.5302 -0.0419 0.0225 0.0384 482 LYS B O 3788 C CB . LYS B 153 ? 0.4386 0.5064 0.4382 -0.0478 0.0306 0.0385 482 LYS B CB 3789 C CG . LYS B 153 ? 0.4758 0.5543 0.4796 -0.0475 0.0336 0.0364 482 LYS B CG 3790 C CD . LYS B 153 ? 0.5099 0.5946 0.5177 -0.0525 0.0368 0.0377 482 LYS B CD 3791 C CE . LYS B 153 ? 0.5793 0.6745 0.5891 -0.0522 0.0404 0.0363 482 LYS B CE 3792 N NZ . LYS B 153 ? 0.6028 0.7057 0.6166 -0.0572 0.0435 0.0377 482 LYS B NZ 3793 N N . ASN B 154 ? 0.6610 0.7050 0.6426 -0.0439 0.0246 0.0432 483 ASN B N 3794 C CA . ASN B 154 ? 0.6606 0.6939 0.6377 -0.0433 0.0222 0.0452 483 ASN B CA 3795 C C . ASN B 154 ? 0.6622 0.6920 0.6349 -0.0372 0.0188 0.0447 483 ASN B C 3796 O O . ASN B 154 ? 0.7861 0.8071 0.7536 -0.0352 0.0166 0.0464 483 ASN B O 3797 C CB . ASN B 154 ? 0.6562 0.6802 0.6240 -0.0480 0.0242 0.0494 483 ASN B CB 3798 C CG . ASN B 154 ? 0.7885 0.8077 0.7449 -0.0473 0.0252 0.0520 483 ASN B CG 3799 O OD1 . ASN B 154 ? 0.7498 0.7714 0.7041 -0.0425 0.0237 0.0509 483 ASN B OD1 3800 N ND2 . ASN B 154 ? 0.8436 0.8555 0.7919 -0.0524 0.0277 0.0555 483 ASN B ND2 3801 N N . GLY B 155 ? 0.5413 0.5785 0.5160 -0.0343 0.0183 0.0423 484 GLY B N 3802 C CA . GLY B 155 ? 0.5369 0.5738 0.5092 -0.0289 0.0150 0.0411 484 GLY B CA 3803 C C . GLY B 155 ? 0.6627 0.6923 0.6232 -0.0264 0.0139 0.0442 484 GLY B C 3804 O O . GLY B 155 ? 0.7146 0.7416 0.6722 -0.0218 0.0107 0.0442 484 GLY B O 3805 N N . THR B 156 ? 0.6697 0.6964 0.6231 -0.0293 0.0168 0.0468 485 THR B N 3806 C CA . THR B 156 ? 0.6187 0.6379 0.5597 -0.0270 0.0161 0.0500 485 THR B CA 3807 C C . THR B 156 ? 0.5936 0.6178 0.5305 -0.0275 0.0180 0.0498 485 THR B C 3808 O O . THR B 156 ? 0.6998 0.7176 0.6260 -0.0277 0.0190 0.0531 485 THR B O 3809 C CB . THR B 156 ? 0.6644 0.6711 0.5967 -0.0302 0.0176 0.0544 485 THR B CB 3810 O OG1 . THR B 156 ? 0.7095 0.7183 0.6424 -0.0367 0.0219 0.0554 485 THR B OG1 3811 C CG2 . THR B 156 ? 0.6691 0.6701 0.6047 -0.0302 0.0160 0.0544 485 THR B CG2 3812 N N . TYR B 157 ? 0.5754 0.6103 0.5202 -0.0275 0.0187 0.0460 486 TYR B N 3813 C CA . TYR B 157 ? 0.5664 0.6065 0.5076 -0.0276 0.0205 0.0452 486 TYR B CA 3814 C C . TYR B 157 ? 0.6790 0.7157 0.6101 -0.0233 0.0181 0.0466 486 TYR B C 3815 O O . TYR B 157 ? 0.7206 0.7573 0.6521 -0.0189 0.0142 0.0456 486 TYR B O 3816 C CB . TYR B 157 ? 0.5322 0.5828 0.4828 -0.0271 0.0207 0.0404 486 TYR B CB 3817 C CG . TYR B 157 ? 0.5540 0.6100 0.5009 -0.0265 0.0223 0.0389 486 TYR B CG 3818 C CD1 . TYR B 157 ? 0.5083 0.5664 0.4532 -0.0299 0.0266 0.0400 486 TYR B CD1 3819 C CD2 . TYR B 157 ? 0.5332 0.5926 0.4785 -0.0228 0.0196 0.0362 486 TYR B CD2 3820 C CE1 . TYR B 157 ? 0.4497 0.5126 0.3909 -0.0292 0.0282 0.0384 486 TYR B CE1 3821 C CE2 . TYR B 157 ? 0.5291 0.5930 0.4705 -0.0225 0.0210 0.0346 486 TYR B CE2 3822 C CZ . TYR B 157 ? 0.5667 0.6320 0.5059 -0.0254 0.0253 0.0357 486 TYR B CZ 3823 O OH . TYR B 157 ? 0.5256 0.5951 0.4604 -0.0248 0.0268 0.0340 486 TYR B OH 3824 N N . ASP B 158 ? 0.9090 0.9433 0.8310 -0.0245 0.0203 0.0490 487 ASP B N 3825 C CA . ASP B 158 ? 0.9177 0.9480 0.8286 -0.0205 0.0182 0.0510 487 ASP B CA 3826 C C . ASP B 158 ? 0.9681 1.0068 0.8782 -0.0188 0.0181 0.0481 487 ASP B C 3827 O O . ASP B 158 ? 1.0329 1.0726 0.9377 -0.0209 0.0212 0.0491 487 ASP B O 3828 C CB . ASP B 158 ? 1.0142 1.0341 0.9134 -0.0228 0.0206 0.0562 487 ASP B CB 3829 C CG . ASP B 158 ? 1.0765 1.0890 0.9633 -0.0178 0.0178 0.0591 487 ASP B CG 3830 O OD1 . ASP B 158 ? 1.1019 1.1172 0.9902 -0.0123 0.0137 0.0573 487 ASP B OD1 3831 O OD2 . ASP B 158 ? 1.1373 1.1411 1.0126 -0.0192 0.0198 0.0633 487 ASP B OD2 3832 N N . TYR B 159 ? 0.8529 0.8978 0.7679 -0.0153 0.0146 0.0445 488 TYR B N 3833 C CA . TYR B 159 ? 0.8657 0.9186 0.7801 -0.0139 0.0141 0.0411 488 TYR B CA 3834 C C . TYR B 159 ? 0.9435 0.9943 0.8454 -0.0121 0.0141 0.0434 488 TYR B C 3835 O O . TYR B 159 ? 0.9424 0.9974 0.8423 -0.0137 0.0166 0.0420 488 TYR B O 3836 C CB . TYR B 159 ? 0.7437 0.8026 0.6640 -0.0106 0.0098 0.0373 488 TYR B CB 3837 C CG . TYR B 159 ? 0.8002 0.8670 0.7198 -0.0098 0.0090 0.0332 488 TYR B CG 3838 C CD1 . TYR B 159 ? 0.7190 0.7914 0.6458 -0.0124 0.0110 0.0290 488 TYR B CD1 3839 C CD2 . TYR B 159 ? 0.8193 0.8876 0.7305 -0.0064 0.0062 0.0336 488 TYR B CD2 3840 C CE1 . TYR B 159 ? 0.7559 0.8342 0.6811 -0.0119 0.0103 0.0252 488 TYR B CE1 3841 C CE2 . TYR B 159 ? 0.7556 0.8310 0.6658 -0.0062 0.0054 0.0297 488 TYR B CE2 3842 C CZ . TYR B 159 ? 0.8164 0.8963 0.7333 -0.0091 0.0075 0.0254 488 TYR B CZ 3843 O OH . TYR B 159 ? 0.7793 0.8650 0.6942 -0.0092 0.0068 0.0213 488 TYR B OH 3844 N N . PRO B 160 ? 1.1534 1.1977 1.0465 -0.0084 0.0114 0.0469 489 PRO B N 3845 C CA . PRO B 160 ? 1.1416 1.1847 1.0227 -0.0060 0.0109 0.0487 489 PRO B CA 3846 C C . PRO B 160 ? 1.1958 1.2350 1.0697 -0.0098 0.0157 0.0515 489 PRO B C 3847 O O . PRO B 160 ? 1.1869 1.2274 1.0522 -0.0085 0.0159 0.0520 489 PRO B O 3848 C CB . PRO B 160 ? 1.1287 1.1639 1.0019 -0.0011 0.0075 0.0526 489 PRO B CB 3849 C CG . PRO B 160 ? 1.1845 1.2136 1.0633 -0.0026 0.0079 0.0538 489 PRO B CG 3850 C CD . PRO B 160 ? 1.1421 1.1800 1.0351 -0.0056 0.0086 0.0491 489 PRO B CD 3851 N N . LYS B 161 ? 1.0604 1.0958 0.9376 -0.0146 0.0194 0.0532 490 LYS B N 3852 C CA . LYS B 161 ? 1.0698 1.1043 0.9423 -0.0191 0.0244 0.0551 490 LYS B CA 3853 C C . LYS B 161 ? 1.0996 1.1450 0.9781 -0.0205 0.0265 0.0506 490 LYS B C 3854 O O . LYS B 161 ? 1.1232 1.1753 1.0064 -0.0177 0.0239 0.0463 490 LYS B O 3855 C CB . LYS B 161 ? 0.9954 1.0247 0.8710 -0.0243 0.0278 0.0576 490 LYS B CB 3856 C CG . LYS B 161 ? 1.0216 1.0381 0.8896 -0.0238 0.0265 0.0623 490 LYS B CG 3857 C CD . LYS B 161 ? 1.0767 1.0890 0.9486 -0.0299 0.0298 0.0641 490 LYS B CD 3858 C CE . LYS B 161 ? 1.0648 1.0815 0.9363 -0.0358 0.0352 0.0647 490 LYS B CE 3859 N NZ . LYS B 161 ? 0.9550 0.9688 0.8300 -0.0423 0.0384 0.0665 490 LYS B NZ 3860 N N . TYR B 162 ? 1.0420 1.0890 0.9199 -0.0248 0.0315 0.0515 491 TYR B N 3861 C CA . TYR B 162 ? 1.0381 1.0948 0.9218 -0.0261 0.0342 0.0474 491 TYR B CA 3862 C C . TYR B 162 ? 1.0422 1.1034 0.9211 -0.0226 0.0324 0.0444 491 TYR B C 3863 O O . TYR B 162 ? 1.0823 1.1482 0.9668 -0.0201 0.0294 0.0401 491 TYR B O 3864 C CB . TYR B 162 ? 0.9222 0.9842 0.8198 -0.0268 0.0339 0.0436 491 TYR B CB 3865 C CG . TYR B 162 ? 0.8768 0.9346 0.7797 -0.0299 0.0347 0.0461 491 TYR B CG 3866 C CD1 . TYR B 162 ? 0.8829 0.9411 0.7864 -0.0348 0.0393 0.0484 491 TYR B CD1 3867 C CD2 . TYR B 162 ? 0.8863 0.9402 0.7934 -0.0280 0.0309 0.0461 491 TYR B CD2 3868 C CE1 . TYR B 162 ? 0.7885 0.8429 0.6964 -0.0382 0.0399 0.0505 491 TYR B CE1 3869 C CE2 . TYR B 162 ? 0.8310 0.8805 0.7422 -0.0310 0.0316 0.0483 491 TYR B CE2 3870 C CZ . TYR B 162 ? 0.8589 0.9085 0.7704 -0.0362 0.0360 0.0504 491 TYR B CZ 3871 O OH . TYR B 162 ? 0.8922 0.9376 0.8075 -0.0396 0.0366 0.0523 491 TYR B OH 3872 C C1 . NAG C . ? 0.6248 0.6640 0.6785 0.0459 0.0249 0.0034 601 NAG A C1 3873 C C2 . NAG C . ? 0.6313 0.6835 0.6885 0.0531 0.0259 0.0042 601 NAG A C2 3874 C C3 . NAG C . ? 0.6457 0.6988 0.7018 0.0599 0.0251 0.0058 601 NAG A C3 3875 C C4 . NAG C . ? 0.6330 0.6899 0.6949 0.0550 0.0221 0.0074 601 NAG A C4 3876 C C5 . NAG C . ? 0.6271 0.6704 0.6850 0.0479 0.0216 0.0065 601 NAG A C5 3877 C C6 . NAG C . ? 0.6203 0.6671 0.6836 0.0428 0.0189 0.0079 601 NAG A C6 3878 C C7 . NAG C . ? 0.6244 0.6811 0.6791 0.0562 0.0298 0.0019 601 NAG A C7 3879 C C8 . NAG C . ? 0.6439 0.6940 0.6906 0.0616 0.0329 -0.0001 601 NAG A C8 3880 N N2 . NAG C . ? 0.6384 0.6860 0.6893 0.0576 0.0287 0.0025 601 NAG A N2 3881 O O3 . NAG C . ? 0.6572 0.7250 0.7178 0.0664 0.0257 0.0066 601 NAG A O3 3882 O O4 . NAG C . ? 0.6427 0.6996 0.7026 0.0614 0.0213 0.0088 601 NAG A O4 3883 O O5 . NAG C . ? 0.6161 0.6597 0.6755 0.0422 0.0223 0.0051 601 NAG A O5 3884 O O6 . NAG C . ? 0.6044 0.6490 0.6700 0.0345 0.0181 0.0070 601 NAG A O6 3885 O O7 . NAG C . ? 0.6035 0.6725 0.6669 0.0509 0.0286 0.0028 601 NAG A O7 3886 C C1 . NAG D . ? 0.9936 0.8476 0.8166 -0.0381 -0.0390 -0.0589 602 NAG A C1 3887 C C2 . NAG D . ? 1.0168 0.8520 0.8293 -0.0376 -0.0377 -0.0617 602 NAG A C2 3888 C C3 . NAG D . ? 1.0407 0.8640 0.8406 -0.0304 -0.0346 -0.0647 602 NAG A C3 3889 C C4 . NAG D . ? 1.0293 0.8635 0.8374 -0.0215 -0.0309 -0.0621 602 NAG A C4 3890 C C5 . NAG D . ? 1.0122 0.8630 0.8287 -0.0234 -0.0325 -0.0598 602 NAG A C5 3891 C C6 . NAG D . ? 1.0034 0.8654 0.8279 -0.0160 -0.0289 -0.0571 602 NAG A C6 3892 C C7 . NAG D . ? 1.0262 0.8484 0.8335 -0.0516 -0.0420 -0.0636 602 NAG A C7 3893 C C8 . NAG D . ? 1.0401 0.8536 0.8383 -0.0619 -0.0455 -0.0666 602 NAG A C8 3894 N N2 . NAG D . ? 1.0266 0.8530 0.8315 -0.0468 -0.0412 -0.0643 602 NAG A N2 3895 O O3 . NAG D . ? 1.0570 0.8631 0.8479 -0.0289 -0.0332 -0.0667 602 NAG A O3 3896 O O4 . NAG D . ? 1.0515 0.8759 0.8482 -0.0146 -0.0279 -0.0649 602 NAG A O4 3897 O O5 . NAG D . ? 0.9873 0.8481 0.8152 -0.0295 -0.0353 -0.0570 602 NAG A O5 3898 O O6 . NAG D . ? 1.0050 0.8749 0.8284 -0.0159 -0.0294 -0.0568 602 NAG A O6 3899 O O7 . NAG D . ? 1.0142 0.8395 0.8304 -0.0480 -0.0400 -0.0608 602 NAG A O7 3900 C C1 . NAG E . ? 0.8639 0.8690 0.7998 -0.0531 0.0292 0.0588 501 NAG B C1 3901 C C2 . NAG E . ? 0.9288 0.9180 0.8538 -0.0556 0.0291 0.0627 501 NAG B C2 3902 C C3 . NAG E . ? 1.0044 0.9850 0.9151 -0.0560 0.0306 0.0665 501 NAG B C3 3903 C C4 . NAG E . ? 1.0653 1.0549 0.9771 -0.0611 0.0349 0.0667 501 NAG B C4 3904 C C5 . NAG E . ? 0.9620 0.9678 0.8856 -0.0580 0.0346 0.0625 501 NAG B C5 3905 C C6 . NAG E . ? 0.9468 0.9629 0.8726 -0.0624 0.0390 0.0622 501 NAG B C6 3906 C C7 . NAG E . ? 0.8885 0.8691 0.8189 -0.0518 0.0241 0.0611 501 NAG B C7 3907 C C8 . NAG E . ? 0.8868 0.8597 0.8151 -0.0456 0.0202 0.0608 501 NAG B C8 3908 N N2 . NAG E . ? 0.9035 0.8851 0.8275 -0.0504 0.0252 0.0623 501 NAG B N2 3909 O O3 . NAG E . ? 1.0657 1.0302 0.9653 -0.0591 0.0310 0.0702 501 NAG B O3 3910 O O4 . NAG E . ? 1.1668 1.1488 1.0652 -0.0607 0.0360 0.0700 501 NAG B O4 3911 O O5 . NAG E . ? 0.8730 0.8854 0.8092 -0.0576 0.0332 0.0593 501 NAG B O5 3912 O O6 . NAG E . ? 0.9359 0.9560 0.8673 -0.0694 0.0417 0.0625 501 NAG B O6 3913 O O7 . NAG E . ? 0.8810 0.8671 0.8185 -0.0575 0.0262 0.0602 501 NAG B O7 3914 C C1 . NAG F . ? 1.2459 1.2228 1.1370 -0.0688 0.0402 0.0734 502 NAG B C1 3915 C C2 . NAG F . ? 1.2912 1.2686 1.1732 -0.0684 0.0424 0.0753 502 NAG B C2 3916 C C3 . NAG F . ? 1.3749 1.3472 1.2486 -0.0774 0.0470 0.0790 502 NAG B C3 3917 C C4 . NAG F . ? 1.4661 1.4201 1.3295 -0.0807 0.0466 0.0824 502 NAG B C4 3918 C C5 . NAG F . ? 1.3915 1.3462 1.2648 -0.0805 0.0440 0.0799 502 NAG B C5 3919 C C6 . NAG F . ? 1.4053 1.3410 1.2680 -0.0827 0.0431 0.0828 502 NAG B C6 3920 C C7 . NAG F . ? 1.2582 1.2543 1.1470 -0.0594 0.0411 0.0707 502 NAG B C7 3921 C C8 . NAG F . ? 1.3605 1.3428 1.2364 -0.0542 0.0380 0.0736 502 NAG B C8 3922 N N2 . NAG F . ? 1.2574 1.2510 1.1489 -0.0659 0.0430 0.0718 502 NAG B N2 3923 O O3 . NAG F . ? 1.4234 1.3944 1.2871 -0.0766 0.0489 0.0811 502 NAG B O3 3924 O O4 . NAG F . ? 1.5196 1.4702 1.3766 -0.0904 0.0512 0.0853 502 NAG B O4 3925 O O5 . NAG F . ? 1.3194 1.2794 1.2002 -0.0714 0.0398 0.0767 502 NAG B O5 3926 O O6 . NAG F . ? 1.3580 1.2935 1.2289 -0.0798 0.0399 0.0803 502 NAG B O6 3927 O O7 . NAG F . ? 1.1928 1.2017 1.0889 -0.0576 0.0417 0.0675 502 NAG B O7 3928 C C1 . BMA G . ? 1.6301 1.5616 1.4684 -0.0916 0.0519 0.0902 503 BMA B C1 3929 C C2 . BMA G . ? 1.6288 1.5490 1.4618 -0.1008 0.0539 0.0924 503 BMA B C2 3930 C C3 . BMA G . ? 1.7244 1.6232 1.5365 -0.1038 0.0556 0.0977 503 BMA B C3 3931 C C4 . BMA G . ? 1.7819 1.6854 1.5877 -0.1059 0.0591 0.0998 503 BMA B C4 3932 C C5 . BMA G . ? 1.7741 1.6883 1.5852 -0.0956 0.0565 0.0975 503 BMA B C5 3933 C C6 . BMA G . ? 1.8238 1.7424 1.6279 -0.0973 0.0599 0.0994 503 BMA B C6 3934 O O2 . BMA G . ? 1.5739 1.5085 1.4161 -0.1099 0.0580 0.0912 503 BMA B O2 3935 O O3 . BMA G . ? 1.7030 1.5922 1.5104 -0.1139 0.0580 0.0995 503 BMA B O3 3936 O O4 . BMA G . ? 1.8340 1.7165 1.6192 -0.1082 0.0606 0.1050 503 BMA B O4 3937 O O5 . BMA G . ? 1.7018 1.6353 1.5322 -0.0933 0.0551 0.0923 503 BMA B O5 3938 O O6 . BMA G . ? 1.8416 1.7654 1.6464 -0.0873 0.0570 0.0979 503 BMA B O6 3939 O O . HOH H . ? 0.6132 0.7847 0.7243 0.0363 -0.0250 0.0243 701 HOH A O 3940 O O . HOH H . ? 0.9683 1.0049 0.7526 0.0928 -0.0828 0.0631 702 HOH A O 3941 O O . HOH H . ? 0.6408 0.7868 0.5645 -0.0204 -0.1028 -0.0045 703 HOH A O 3942 O O . HOH H . ? 0.7229 0.6131 0.5828 -0.0243 -0.0324 -0.0477 704 HOH A O 3943 O O . HOH H . ? 0.6549 0.9329 0.7717 -0.0429 -0.0689 0.0074 705 HOH A O 3944 O O . HOH H . ? 0.3552 0.4911 0.4769 -0.0143 0.0096 0.0150 706 HOH A O 3945 O O . HOH H . ? 0.7755 0.7094 0.6940 -0.0917 -0.0550 -0.0381 707 HOH A O 3946 O O . HOH H . ? 0.6758 0.8358 0.5879 -0.0384 -0.1133 -0.0152 708 HOH A O 3947 O O . HOH H . ? 1.1284 1.0826 0.9010 0.0098 -0.0057 0.0265 709 HOH A O 3948 O O . HOH H . ? 0.6180 0.7227 0.6503 0.0099 -0.0518 0.0212 710 HOH A O 3949 O O . HOH H . ? 0.7090 0.8975 0.7793 0.0333 0.0625 -0.0005 711 HOH A O 3950 O O . HOH H . ? 0.8442 0.8036 0.6617 -0.0550 -0.0707 -0.0519 712 HOH A O 3951 O O . HOH H . ? 0.7570 0.8544 0.8289 0.0734 0.0260 0.0081 713 HOH A O 3952 O O . HOH H . ? 0.4212 0.4666 0.5136 -0.0258 -0.0091 0.0091 714 HOH A O 3953 O O . HOH H . ? 0.5182 0.5708 0.4707 -0.0457 -0.0684 -0.0157 715 HOH A O 3954 O O . HOH H . ? 0.5818 0.7203 0.5596 -0.0222 0.0648 0.0142 716 HOH A O 3955 O O . HOH H . ? 0.6579 0.7148 0.7145 0.0103 0.0291 -0.0053 717 HOH A O 3956 O O . HOH H . ? 0.5576 0.6964 0.5727 -0.0651 -0.0794 -0.0110 718 HOH A O 3957 O O . HOH H . ? 0.6625 0.6947 0.7102 0.0169 0.0283 -0.0061 719 HOH A O 3958 O O . HOH H . ? 0.5903 0.6410 0.6518 -0.0141 0.0182 -0.0053 720 HOH A O 3959 O O . HOH H . ? 0.4752 0.6678 0.5463 0.0020 -0.0650 0.0174 721 HOH A O 3960 O O . HOH H . ? 0.6480 0.7777 0.7387 -0.1000 -0.0382 0.0028 722 HOH A O 3961 O O . HOH H . ? 0.6811 0.9232 0.8357 -0.0430 -0.0215 0.0159 723 HOH A O 3962 O O . HOH H . ? 0.4119 0.5478 0.5332 0.0043 0.0059 0.0148 724 HOH A O 3963 O O . HOH H . ? 0.6942 0.8585 0.7654 -0.0866 -0.0636 -0.0055 725 HOH A O 3964 O O . HOH H . ? 0.6634 0.7805 0.7311 0.0262 0.0422 -0.0019 726 HOH A O 3965 O O . HOH H . ? 0.5390 0.6718 0.4998 -0.0206 0.0653 0.0127 727 HOH A O 3966 O O . HOH H . ? 0.4507 0.5150 0.5367 -0.0227 -0.0217 0.0119 728 HOH A O 3967 O O . HOH H . ? 0.7689 0.7355 0.6754 -0.0016 -0.0126 -0.0249 729 HOH A O 3968 O O . HOH H . ? 0.4309 0.4146 0.3733 -0.0236 -0.0345 -0.0176 730 HOH A O 3969 O O . HOH H . ? 0.7936 0.8456 0.6921 -0.0574 -0.0847 -0.0295 731 HOH A O 3970 O O . HOH H . ? 0.4886 0.6742 0.5934 -0.0268 0.0391 0.0183 732 HOH A O 3971 O O . HOH H . ? 0.7149 0.6803 0.5581 -0.0735 -0.0753 -0.0527 733 HOH A O 3972 O O . HOH H . ? 0.5387 0.6793 0.6646 -0.0034 -0.0033 0.0165 734 HOH A O 3973 O O . HOH H . ? 0.5148 0.5981 0.6001 -0.0730 -0.0297 0.0064 735 HOH A O 3974 O O . HOH H . ? 0.5184 0.6583 0.5454 -0.0718 -0.0759 -0.0109 736 HOH A O 3975 O O . HOH H . ? 0.6990 0.8498 0.8172 -0.0680 -0.0268 0.0113 737 HOH A O 3976 O O . HOH H . ? 0.6136 0.7046 0.7246 -0.0365 -0.0050 0.0154 738 HOH A O 3977 O O . HOH H . ? 0.6651 0.6351 0.6037 -0.0203 -0.0292 -0.0214 739 HOH A O 3978 O O . HOH H . ? 0.5591 0.6260 0.5502 0.0213 -0.0489 0.0273 740 HOH A O 3979 O O . HOH H . ? 0.8861 0.8705 0.6984 -0.0488 -0.0767 -0.0462 741 HOH A O 3980 O O . HOH H . ? 0.5477 0.6144 0.6006 -0.0612 -0.0437 -0.0020 742 HOH A O 3981 O O . HOH H . ? 0.8698 0.9534 0.7399 0.0712 -0.0831 0.0472 743 HOH A O 3982 O O . HOH H . ? 0.5372 0.5402 0.5503 -0.0378 -0.0333 -0.0079 744 HOH A O 3983 O O . HOH H . ? 0.4516 0.4607 0.5062 -0.0047 0.0170 -0.0019 745 HOH A O 3984 O O . HOH H . ? 0.3568 0.3994 0.3914 -0.0091 -0.0292 0.0145 746 HOH A O 3985 O O . HOH H . ? 0.3009 0.3406 0.3641 -0.0147 0.0164 -0.0052 747 HOH A O 3986 O O . HOH H . ? 0.6365 0.8390 0.6566 -0.0437 -0.0935 -0.0038 748 HOH A O 3987 O O . HOH H . ? 0.3599 0.5410 0.4975 -0.0301 -0.0180 0.0164 749 HOH A O 3988 O O . HOH H . ? 0.4741 0.6306 0.6055 -0.0503 -0.0085 0.0170 750 HOH A O 3989 O O . HOH H . ? 0.4199 0.5249 0.4525 -0.0153 0.0382 0.0041 751 HOH A O 3990 O O . HOH H . ? 0.8951 0.9502 0.9408 0.0784 0.0313 0.0036 752 HOH A O 3991 O O . HOH H . ? 0.4418 0.4582 0.4418 -0.0072 -0.0222 0.0150 753 HOH A O 3992 O O . HOH H . ? 0.8474 0.7884 0.7733 -0.0058 -0.0183 -0.0295 754 HOH A O 3993 O O . HOH H . ? 0.8220 0.8468 0.8663 -0.0389 -0.0306 -0.0006 755 HOH A O 3994 O O . HOH H . ? 0.5438 0.6056 0.6342 -0.0397 -0.0208 0.0098 756 HOH A O 3995 O O . HOH H . ? 0.2449 0.3609 0.3252 -0.0072 0.0310 0.0066 757 HOH A O 3996 O O . HOH H . ? 0.7043 0.7500 0.6806 0.0171 -0.0441 0.0266 758 HOH A O 3997 O O . HOH H . ? 0.5331 0.7054 0.5580 -0.0493 -0.0838 -0.0045 759 HOH A O 3998 O O . HOH H . ? 0.3935 0.5290 0.5077 -0.0106 0.0173 0.0133 760 HOH A O 3999 O O . HOH H . ? 0.6801 0.6660 0.6461 -0.0208 -0.0278 -0.0140 761 HOH A O 4000 O O . HOH H . ? 0.5187 0.6468 0.6357 -0.0552 -0.0199 0.0135 762 HOH A O 4001 O O . HOH H . ? 0.6992 0.7952 0.5946 -0.0963 -0.1073 -0.0437 763 HOH A O 4002 O O . HOH H . ? 0.3561 0.4956 0.4821 -0.0290 0.0038 0.0170 764 HOH A O 4003 O O . HOH H . ? 0.5157 0.5840 0.5993 0.0176 0.0163 0.0067 765 HOH A O 4004 O O . HOH H . ? 0.5736 0.7369 0.6754 0.0179 -0.0360 0.0226 766 HOH A O 4005 O O . HOH H . ? 0.5600 0.6413 0.6199 -0.0446 -0.0434 0.0028 767 HOH A O 4006 O O . HOH H . ? 0.7414 0.8524 0.7514 0.0224 -0.0596 0.0254 768 HOH A O 4007 O O . HOH H . ? 0.5402 0.7068 0.6759 -0.0178 0.0012 0.0170 769 HOH A O 4008 O O . HOH H . ? 0.6254 0.6114 0.6473 -0.0040 0.0265 -0.0147 770 HOH A O 4009 O O . HOH H . ? 0.4937 0.6089 0.6026 -0.0400 0.0098 0.0189 771 HOH A O 4010 O O . HOH H . ? 0.4746 0.5223 0.5642 -0.0171 -0.0087 0.0120 772 HOH A O 4011 O O . HOH H . ? 0.7448 0.7417 0.6750 0.0046 -0.0249 0.0229 773 HOH A O 4012 O O . HOH H . ? 0.4179 0.6060 0.5465 0.0053 0.0231 0.0139 774 HOH A O 4013 O O . HOH H . ? 0.5429 0.7282 0.6592 0.0251 -0.0302 0.0230 775 HOH A O 4014 O O . HOH H . ? 0.6559 0.7836 0.6869 -0.1231 -0.0714 -0.0197 776 HOH A O 4015 O O . HOH H . ? 0.3793 0.6000 0.4695 -0.0706 -0.0694 -0.0008 777 HOH A O 4016 O O . HOH H . ? 0.6786 0.7255 0.6005 -0.1224 -0.0893 -0.0456 778 HOH A O 4017 O O . HOH H . ? 0.5239 0.6509 0.6316 0.0219 0.0169 0.0110 779 HOH A O 4018 O O . HOH H . ? 0.3111 0.3789 0.4043 -0.0025 0.0099 0.0079 780 HOH A O 4019 O O . HOH H . ? 0.3399 0.4141 0.4367 0.0018 0.0080 0.0100 781 HOH A O 4020 O O . HOH H . ? 0.5027 0.5210 0.4709 -0.0103 -0.0340 0.0065 782 HOH A O 4021 O O . HOH H . ? 0.3447 0.6218 0.5007 0.0024 -0.0304 0.0193 783 HOH A O 4022 O O . HOH H . ? 0.8376 0.9312 0.9263 0.0117 -0.0208 0.0211 784 HOH A O 4023 O O . HOH H . ? 0.5603 0.9152 0.7152 -0.0384 -0.0633 0.0103 785 HOH A O 4024 O O . HOH H . ? 0.4796 0.6885 0.6188 0.0134 -0.0178 0.0201 786 HOH A O 4025 O O . HOH H . ? 0.5705 0.6978 0.6152 -0.0024 0.0482 0.0016 787 HOH A O 4026 O O . HOH H . ? 0.5878 0.8189 0.6593 -0.0826 -0.0818 -0.0076 788 HOH A O 4027 O O . HOH H . ? 0.5341 0.7433 0.5451 0.0325 -0.0897 0.0243 789 HOH A O 4028 O O . HOH H . ? 0.4102 0.5580 0.5311 -0.0279 0.0145 0.0173 790 HOH A O 4029 O O . HOH H . ? 0.8052 1.0290 0.8080 0.0255 -0.0979 0.0206 791 HOH A O 4030 O O . HOH H . ? 0.4433 0.6616 0.5690 -0.0206 0.0366 0.0178 792 HOH A O 4031 O O . HOH H . ? 0.5625 0.6561 0.6331 0.0023 -0.0339 0.0197 793 HOH A O 4032 O O . HOH H . ? 0.6805 0.7372 0.7372 -0.0275 -0.0333 0.0070 794 HOH A O 4033 O O . HOH H . ? 0.7727 0.8828 0.8131 -0.0020 0.0438 -0.0016 795 HOH A O 4034 O O . HOH H . ? 0.6254 0.6968 0.6909 0.0201 0.0299 -0.0019 796 HOH A O 4035 O O . HOH H . ? 0.5636 0.6434 0.6476 0.0174 -0.0157 0.0216 797 HOH A O 4036 O O . HOH H . ? 0.8018 0.9539 0.9233 -0.0171 0.0166 0.0155 798 HOH A O 4037 O O . HOH H . ? 0.8503 0.9730 0.8787 -0.1367 -0.0703 -0.0215 799 HOH A O 4038 O O . HOH H . ? 0.5663 0.6702 0.6809 -0.0400 -0.0032 0.0166 800 HOH A O 4039 O O . HOH H . ? 0.5499 0.6499 0.5769 0.0242 -0.0496 0.0270 801 HOH A O 4040 O O . HOH H . ? 0.6216 0.6785 0.7098 0.0005 0.0092 0.0079 802 HOH A O 4041 O O . HOH H . ? 0.5955 0.8152 0.7441 -0.0292 -0.0199 0.0167 803 HOH A O 4042 O O . HOH H . ? 1.1538 1.1538 0.9340 0.0000 0.0000 0.0000 804 HOH A O 4043 O O . HOH H . ? 0.7168 0.7915 0.8173 -0.0462 -0.0153 0.0129 805 HOH A O 4044 O O . HOH H . ? 0.7575 0.9052 0.7191 -0.0175 0.0736 0.0111 806 HOH A O 4045 O O . HOH H . ? 0.6357 0.7107 0.6130 0.0350 -0.0547 0.0327 807 HOH A O 4046 O O . HOH H . ? 0.5277 0.7350 0.6467 -0.0326 0.0368 0.0201 808 HOH A O 4047 O O . HOH I . ? 0.7830 0.8208 0.8632 -0.0448 -0.0080 0.0165 601 HOH B O 4048 O O . HOH I . ? 0.4505 0.4793 0.5007 -0.0166 -0.0167 0.0104 602 HOH B O 4049 O O . HOH I . ? 0.5148 0.5688 0.6020 -0.0178 -0.0148 0.0127 603 HOH B O 4050 O O . HOH I . ? 0.8034 0.7832 0.7602 0.0124 -0.0154 0.0345 604 HOH B O 4051 O O . HOH I . ? 0.5425 0.6074 0.5329 -0.0171 0.0056 0.0254 605 HOH B O 4052 O O . HOH I . ? 0.3735 0.4879 0.4313 -0.0131 0.0366 0.0063 606 HOH B O 4053 O O . HOH I . ? 0.5439 0.7029 0.6223 0.0014 0.0466 0.0069 607 HOH B O 4054 O O . HOH I . ? 0.8835 0.9434 0.9374 -0.0218 -0.0340 0.0093 608 HOH B O 4055 O O . HOH I . ? 0.5686 0.6523 0.5816 -0.0264 0.0078 -0.0092 609 HOH B O 4056 O O . HOH I . ? 0.6369 0.6452 0.6992 -0.0058 0.0039 0.0125 610 HOH B O 4057 O O . HOH I . ? 0.7983 0.8963 0.7459 -0.0122 0.0474 -0.0072 611 HOH B O 4058 O O . HOH I . ? 0.7790 0.8149 0.8295 -0.0037 -0.0191 0.0186 612 HOH B O 4059 O O . HOH I . ? 0.4803 0.5456 0.5634 -0.0254 0.0017 0.0075 613 HOH B O 4060 O O . HOH I . ? 0.4241 0.4842 0.5227 -0.0324 -0.0120 0.0119 614 HOH B O 4061 O O . HOH I . ? 0.5100 0.6307 0.5368 -0.0512 0.0457 0.0322 615 HOH B O 4062 O O . HOH I . ? 0.5400 0.5329 0.5888 -0.0206 0.0069 0.0121 616 HOH B O 4063 O O . HOH I . ? 0.4668 0.5556 0.4696 -0.0200 0.0034 0.0042 617 HOH B O 4064 O O . HOH I . ? 0.4658 0.5135 0.5286 -0.0294 0.0100 -0.0089 618 HOH B O 4065 O O . HOH I . ? 0.5207 0.6241 0.4707 -0.0799 0.0683 0.0562 619 HOH B O 4066 O O . HOH I . ? 0.7627 0.9261 0.8366 -0.0578 0.0446 0.0295 620 HOH B O 4067 O O . HOH I . ? 0.6724 0.7525 0.7198 -0.0245 0.0026 0.0012 621 HOH B O 4068 O O . HOH I . ? 0.6638 0.7071 0.7534 -0.0244 -0.0100 0.0086 622 HOH B O 4069 O O . HOH I . ? 0.4312 0.4755 0.5134 -0.0367 0.0047 -0.0023 623 HOH B O 4070 O O . HOH I . ? 0.5077 0.5419 0.5808 -0.0151 -0.0099 0.0111 624 HOH B O 4071 O O . HOH I . ? 0.5827 0.7954 0.5832 -0.0548 0.0909 0.0341 625 HOH B O 4072 O O . HOH I . ? 0.6032 0.6904 0.5651 -0.0203 0.0229 -0.0086 626 HOH B O 4073 O O . HOH I . ? 0.9780 1.0434 0.8685 -0.0125 0.0177 0.0374 627 HOH B O 4074 O O . HOH I . ? 0.6208 0.6597 0.6796 -0.0554 0.0045 0.0278 628 HOH B O 4075 O O . HOH I . ? 0.3270 0.3985 0.4223 -0.0229 0.0058 0.0094 629 HOH B O 4076 O O . HOH I . ? 0.3677 0.4126 0.4265 -0.0244 0.0134 -0.0088 630 HOH B O 4077 O O . HOH I . ? 0.4984 0.5779 0.5187 -0.0568 0.0325 0.0379 631 HOH B O 4078 O O . HOH I . ? 0.6564 0.7466 0.6147 -0.0201 0.0188 -0.0028 632 HOH B O 4079 O O . HOH I . ? 0.3928 0.3822 0.4352 -0.0196 0.0064 0.0144 633 HOH B O 4080 O O . HOH I . ? 0.4294 0.4312 0.4313 -0.0136 -0.0045 0.0164 634 HOH B O 4081 O O . HOH I . ? 0.4277 0.4895 0.4808 -0.0303 0.0074 0.0211 635 HOH B O 4082 O O . HOH I . ? 0.7081 0.7413 0.6275 -0.0362 0.0298 0.0533 636 HOH B O 4083 O O . HOH I . ? 0.5724 0.5644 0.5477 -0.0005 -0.0129 0.0255 637 HOH B O 4084 O O . HOH I . ? 0.5486 0.5888 0.6093 -0.0026 -0.0169 0.0187 638 HOH B O 4085 O O . HOH I . ? 0.3803 0.3866 0.4435 -0.0156 0.0064 0.0086 639 HOH B O 4086 O O . HOH I . ? 0.2859 0.3264 0.3721 -0.0227 -0.0074 0.0076 640 HOH B O 4087 O O . HOH I . ? 0.3661 0.4071 0.4532 -0.0227 -0.0089 0.0080 641 HOH B O 4088 O O . HOH I . ? 0.6198 0.7696 0.6219 -0.0681 0.0673 0.0417 642 HOH B O 4089 O O . HOH I . ? 0.4301 0.4745 0.5151 -0.0074 0.0075 0.0067 643 HOH B O 4090 O O . HOH I . ? 0.3950 0.4506 0.4878 -0.0202 -0.0125 0.0121 644 HOH B O 4091 O O . HOH I . ? 0.6212 0.6561 0.7023 -0.0306 -0.0153 0.0079 645 HOH B O 4092 O O . HOH I . ? 0.3900 0.4038 0.4291 -0.0020 -0.0109 0.0211 646 HOH B O 4093 O O . HOH I . ? 0.8127 0.9257 0.7543 -0.0293 0.0571 0.0233 647 HOH B O 4094 O O . HOH I . ? 0.5496 0.5967 0.5669 -0.0211 0.0228 -0.0200 648 HOH B O 4095 O O . HOH I . ? 0.4084 0.4585 0.4764 -0.0193 0.0138 -0.0039 649 HOH B O 4096 O O . HOH I . ? 0.6835 0.7708 0.7073 -0.0014 0.0413 -0.0089 650 HOH B O 4097 O O . HOH I . ? 0.4447 0.4264 0.4404 -0.0167 0.0042 0.0227 651 HOH B O 4098 O O . HOH I . ? 0.5141 0.5373 0.5379 0.0102 -0.0207 0.0259 652 HOH B O 4099 O O . HOH I . ? 0.6109 0.6771 0.7098 -0.0412 -0.0134 0.0128 653 HOH B O 4100 O O . HOH I . ? 0.5806 0.6560 0.5702 -0.0231 0.0202 -0.0161 654 HOH B O 4101 O O . HOH I . ? 0.3681 0.4365 0.4445 -0.0260 0.0026 0.0026 655 HOH B O 4102 O O . HOH I . ? 0.7357 0.7046 0.7329 0.0023 -0.0015 0.0291 656 HOH B O 4103 O O . HOH I . ? 0.3141 0.3772 0.3725 -0.0240 0.0016 0.0156 657 HOH B O 4104 O O . HOH I . ? 0.3723 0.3723 0.4374 0.0000 0.0000 0.0000 658 HOH B O 4105 O O . HOH I . ? 0.5317 0.5765 0.5477 0.0025 0.0368 -0.0186 659 HOH B O 4106 O O . HOH I . ? 0.5571 0.7378 0.6362 -0.0111 0.0518 0.0123 660 HOH B O 4107 O O . HOH I . ? 0.3679 0.4455 0.4429 -0.0161 0.0181 0.0034 661 HOH B O 4108 O O . HOH I . ? 0.6539 0.6523 0.6276 0.0229 -0.0232 0.0354 662 HOH B O 4109 O O . HOH I . ? 0.5686 0.6112 0.6183 -0.0270 -0.0304 0.0053 663 HOH B O 4110 O O . HOH I . ? 0.3601 0.4213 0.4215 -0.0280 0.0041 0.0181 664 HOH B O 4111 O O . HOH I . ? 0.3970 0.4372 0.4753 -0.0108 -0.0097 0.0146 665 HOH B O 4112 O O . HOH I . ? 0.6421 0.7041 0.6869 -0.0264 0.0059 0.0203 666 HOH B O 4113 O O . HOH I . ? 0.6219 0.6792 0.6864 -0.0277 0.0020 0.0181 667 HOH B O 4114 O O . HOH I . ? 0.6219 0.7412 0.6574 -0.0092 0.0457 0.0030 668 HOH B O 4115 O O . HOH I . ? 0.7328 0.7097 0.7439 0.0028 -0.0020 0.0268 669 HOH B O 4116 O O . HOH I . ? 0.5819 0.6499 0.6560 -0.0286 0.0027 -0.0023 670 HOH B O 4117 O O . HOH I . ? 0.5033 0.6833 0.5796 0.0009 0.0541 0.0080 671 HOH B O 4118 O O . HOH I . ? 0.4727 0.5439 0.4798 -0.0231 0.0195 -0.0144 672 HOH B O 4119 O O . HOH I . ? 0.4863 0.5178 0.5662 -0.0227 -0.0105 0.0088 673 HOH B O 4120 O O . HOH I . ? 0.6466 0.6752 0.7151 -0.0178 -0.0095 0.0137 674 HOH B O 4121 O O . HOH I . ? 0.4648 0.5583 0.4552 -0.0184 0.0011 0.0035 675 HOH B O 4122 O O . HOH I . ? 0.5375 0.7302 0.6535 -0.0431 0.0329 0.0222 676 HOH B O 4123 O O . HOH I . ? 0.4492 0.4428 0.4475 -0.0173 0.0023 0.0189 677 HOH B O 4124 O O . HOH I . ? 0.4277 0.4763 0.5130 -0.0129 -0.0109 0.0139 678 HOH B O 4125 O O . HOH I . ? 0.9349 0.9602 0.9987 -0.0112 -0.0108 0.0128 679 HOH B O 4126 O O . HOH I . ? 0.5094 0.5825 0.5218 -0.0261 0.0146 -0.0141 680 HOH B O # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ASP 1 1 1 ASP ASP A . n A 1 2 LYS 2 2 2 LYS LYS A . n A 1 3 ILE 3 3 3 ILE ILE A . n A 1 4 CYS 4 4 4 CYS CYS A . n A 1 5 ILE 5 5 5 ILE ILE A . n A 1 6 GLY 6 6 6 GLY GLY A . n A 1 7 TYR 7 7 7 TYR TYR A . n A 1 8 HIS 8 8 8 HIS HIS A . n A 1 9 ALA 9 9 9 ALA ALA A . n A 1 10 ASN 10 10 10 ASN ASN A . n A 1 11 ASN 11 11 11 ASN ASN A . n A 1 12 SER 12 12 12 SER SER A . n A 1 13 THR 13 13 13 THR THR A . n A 1 14 THR 14 14 14 THR THR A . n A 1 15 GLN 15 15 15 GLN GLN A . n A 1 16 VAL 16 16 16 VAL VAL A . n A 1 17 ASP 17 17 17 ASP ASP A . n A 1 18 THR 18 18 18 THR THR A . n A 1 19 LEU 19 19 19 LEU LEU A . n A 1 20 LEU 20 20 20 LEU LEU A . n A 1 21 GLU 21 21 21 GLU GLU A . n A 1 22 LYS 22 22 22 LYS LYS A . n A 1 23 ASN 23 23 23 ASN ASN A . n A 1 24 VAL 24 24 24 VAL VAL A . n A 1 25 THR 25 25 25 THR THR A . n A 1 26 VAL 26 26 26 VAL VAL A . n A 1 27 THR 27 27 27 THR THR A . n A 1 28 HIS 28 28 28 HIS HIS A . n A 1 29 SER 29 29 29 SER SER A . n A 1 30 VAL 30 30 30 VAL VAL A . n A 1 31 GLU 31 31 31 GLU GLU A . n A 1 32 LEU 32 32 32 LEU LEU A . n A 1 33 LEU 33 33 33 LEU LEU A . n A 1 34 GLU 34 34 34 GLU GLU A . n A 1 35 ASN 35 35 35 ASN ASN A . n A 1 36 GLN 36 36 36 GLN GLN A . n A 1 37 LYS 37 37 37 LYS LYS A . n A 1 38 GLU 38 38 38 GLU GLU A . n A 1 39 LYS 39 39 39 LYS LYS A . n A 1 40 ARG 40 40 40 ARG ARG A . n A 1 41 PHE 41 41 41 PHE PHE A . n A 1 42 CYS 42 42 42 CYS CYS A . n A 1 43 LYS 43 43 43 LYS LYS A . n A 1 44 ILE 44 44 44 ILE ILE A . n A 1 45 MET 45 45 45 MET MET A . n A 1 46 ASN 46 46 46 ASN ASN A . n A 1 47 LYS 47 47 47 LYS LYS A . n A 1 48 ALA 48 48 48 ALA ALA A . n A 1 49 PRO 49 49 49 PRO PRO A . n A 1 50 LEU 50 50 50 LEU LEU A . n A 1 51 ASP 51 51 51 ASP ASP A . n A 1 52 LEU 52 52 52 LEU LEU A . n A 1 53 LYS 53 53 53 LYS LYS A . n A 1 54 ASP 54 54 54 ASP ASP A . n A 1 55 CYS 55 55 55 CYS CYS A . n A 1 56 THR 56 56 56 THR THR A . n A 1 57 ILE 57 57 57 ILE ILE A . n A 1 58 GLU 58 58 58 GLU GLU A . n A 1 59 GLY 59 59 59 GLY GLY A . n A 1 60 TRP 60 60 60 TRP TRP A . n A 1 61 ILE 61 61 61 ILE ILE A . n A 1 62 LEU 62 62 62 LEU LEU A . n A 1 63 GLY 63 63 63 GLY GLY A . n A 1 64 ASN 64 64 64 ASN ASN A . n A 1 65 PRO 65 65 65 PRO PRO A . n A 1 66 LYS 66 66 66 LYS LYS A . n A 1 67 CYS 67 67 67 CYS CYS A . n A 1 68 ASP 68 68 68 ASP ASP A . n A 1 69 LEU 69 69 69 LEU LEU A . n A 1 70 LEU 70 70 70 LEU LEU A . n A 1 71 LEU 71 71 71 LEU LEU A . n A 1 72 GLY 72 72 72 GLY GLY A . n A 1 73 ASP 73 73 73 ASP ASP A . n A 1 74 GLN 74 74 74 GLN GLN A . n A 1 75 SER 75 75 75 SER SER A . n A 1 76 TRP 76 76 76 TRP TRP A . n A 1 77 SER 77 77 77 SER SER A . n A 1 78 TYR 78 78 78 TYR TYR A . n A 1 79 ILE 79 79 79 ILE ILE A . n A 1 80 VAL 80 80 80 VAL VAL A . n A 1 81 GLU 81 81 81 GLU GLU A . n A 1 82 ARG 82 82 82 ARG ARG A . n A 1 83 PRO 83 83 83 PRO PRO A . n A 1 84 ASN 84 84 84 ASN ASN A . n A 1 85 ALA 85 85 85 ALA ALA A . n A 1 86 GLN 86 86 86 GLN GLN A . n A 1 87 ASN 87 87 87 ASN ASN A . n A 1 88 GLY 88 88 88 GLY GLY A . n A 1 89 ILE 89 89 89 ILE ILE A . n A 1 90 CYS 90 90 90 CYS CYS A . n A 1 91 TYR 91 91 91 TYR TYR A . n A 1 92 PRO 92 92 92 PRO PRO A . n A 1 93 GLY 93 93 93 GLY GLY A . n A 1 94 VAL 94 94 94 VAL VAL A . n A 1 95 LEU 95 95 95 LEU LEU A . n A 1 96 ASN 96 96 96 ASN ASN A . n A 1 97 GLU 97 97 97 GLU GLU A . n A 1 98 LEU 98 98 98 LEU LEU A . n A 1 99 GLU 99 99 99 GLU GLU A . n A 1 100 GLU 100 100 100 GLU GLU A . n A 1 101 LEU 101 101 101 LEU LEU A . n A 1 102 LYS 102 102 102 LYS LYS A . n A 1 103 ALA 103 103 103 ALA ALA A . n A 1 104 PHE 104 104 104 PHE PHE A . n A 1 105 ILE 105 105 105 ILE ILE A . n A 1 106 GLY 106 106 106 GLY GLY A . n A 1 107 SER 107 107 107 SER SER A . n A 1 108 GLY 108 108 108 GLY GLY A . n A 1 109 GLU 109 109 109 GLU GLU A . n A 1 110 ARG 110 110 110 ARG ARG A . n A 1 111 VAL 111 111 111 VAL VAL A . n A 1 112 GLU 112 112 112 GLU GLU A . n A 1 113 ARG 113 113 113 ARG ARG A . n A 1 114 PHE 114 114 114 PHE PHE A . n A 1 115 GLU 115 115 115 GLU GLU A . n A 1 116 MET 116 116 116 MET MET A . n A 1 117 PHE 117 117 117 PHE PHE A . n A 1 118 PRO 118 118 118 PRO PRO A . n A 1 119 LYS 119 119 119 LYS LYS A . n A 1 120 SER 120 120 120 SER SER A . n A 1 121 THR 121 121 121 THR THR A . n A 1 122 TRP 122 122 122 TRP TRP A . n A 1 123 ALA 123 123 123 ALA ALA A . n A 1 124 GLY 124 124 124 GLY GLY A . n A 1 125 VAL 125 125 125 VAL VAL A . n A 1 126 ASP 126 126 126 ASP ASP A . n A 1 127 THR 127 127 127 THR THR A . n A 1 128 SER 128 128 128 SER SER A . n A 1 129 ARG 129 129 129 ARG ARG A . n A 1 130 GLY 130 130 130 GLY GLY A . n A 1 131 VAL 131 131 131 VAL VAL A . n A 1 132 THR 132 132 132 THR THR A . n A 1 133 ASN 133 133 133 ASN ASN A . n A 1 134 ALA 134 134 134 ALA ALA A . n A 1 135 CYS 135 135 135 CYS CYS A . n A 1 136 PRO 136 136 136 PRO PRO A . n A 1 137 SER 137 137 137 SER SER A . n A 1 138 TYR 138 138 138 TYR TYR A . n A 1 139 THR 139 139 139 THR THR A . n A 1 140 LEU 140 140 140 LEU LEU A . n A 1 141 ASP 141 141 141 ASP ASP A . n A 1 142 SER 142 142 142 SER SER A . n A 1 143 SER 143 143 143 SER SER A . n A 1 144 PHE 144 144 144 PHE PHE A . n A 1 145 TYR 145 145 145 TYR TYR A . n A 1 146 ARG 146 146 146 ARG ARG A . n A 1 147 ASN 147 147 147 ASN ASN A . n A 1 148 LEU 148 148 148 LEU LEU A . n A 1 149 VAL 149 149 149 VAL VAL A . n A 1 150 TRP 150 150 150 TRP TRP A . n A 1 151 LEU 151 151 151 LEU LEU A . n A 1 152 VAL 152 152 152 VAL VAL A . n A 1 153 LYS 153 153 153 LYS LYS A . n A 1 154 THR 154 154 154 THR THR A . n A 1 155 ASP 155 155 155 ASP ASP A . n A 1 156 SER 156 156 156 SER SER A . n A 1 157 ALA 157 157 157 ALA ALA A . n A 1 158 THR 158 158 158 THR THR A . n A 1 159 TYR 159 159 159 TYR TYR A . n A 1 160 PRO 160 160 160 PRO PRO A . n A 1 161 VAL 161 161 161 VAL VAL A . n A 1 162 ILE 162 162 162 ILE ILE A . n A 1 163 LYS 163 163 163 LYS LYS A . n A 1 164 GLY 164 164 164 GLY GLY A . n A 1 165 THR 165 165 165 THR THR A . n A 1 166 TYR 166 166 166 TYR TYR A . n A 1 167 ASN 167 167 167 ASN ASN A . n A 1 168 ASN 168 168 168 ASN ASN A . n A 1 169 THR 169 169 169 THR THR A . n A 1 170 GLY 170 170 170 GLY GLY A . n A 1 171 THR 171 171 171 THR THR A . n A 1 172 GLN 172 172 172 GLN GLN A . n A 1 173 PRO 173 173 173 PRO PRO A . n A 1 174 ILE 174 174 174 ILE ILE A . n A 1 175 LEU 175 175 175 LEU LEU A . n A 1 176 TYR 176 176 176 TYR TYR A . n A 1 177 PHE 177 177 177 PHE PHE A . n A 1 178 TRP 178 178 178 TRP TRP A . n A 1 179 GLY 179 179 179 GLY GLY A . n A 1 180 VAL 180 180 180 VAL VAL A . n A 1 181 HIS 181 181 181 HIS HIS A . n A 1 182 HIS 182 182 182 HIS HIS A . n A 1 183 PRO 183 183 183 PRO PRO A . n A 1 184 LEU 184 184 184 LEU LEU A . n A 1 185 ASP 185 185 185 ASP ASP A . n A 1 186 THR 186 186 186 THR THR A . n A 1 187 THR 187 187 187 THR THR A . n A 1 188 VAL 188 188 188 VAL VAL A . n A 1 189 GLN 189 189 189 GLN GLN A . n A 1 190 ASP 190 190 190 ASP ASP A . n A 1 191 ASN 191 191 191 ASN ASN A . n A 1 192 LEU 192 192 192 LEU LEU A . n A 1 193 TYR 193 193 193 TYR TYR A . n A 1 194 GLY 194 194 194 GLY GLY A . n A 1 195 SER 195 195 195 SER SER A . n A 1 196 GLY 196 196 196 GLY GLY A . n A 1 197 ASP 197 197 197 ASP ASP A . n A 1 198 LYS 198 198 198 LYS LYS A . n A 1 199 TYR 199 199 199 TYR TYR A . n A 1 200 VAL 200 200 200 VAL VAL A . n A 1 201 ARG 201 201 201 ARG ARG A . n A 1 202 MET 202 202 202 MET MET A . n A 1 203 GLY 203 203 203 GLY GLY A . n A 1 204 THR 204 204 204 THR THR A . n A 1 205 GLU 205 205 205 GLU GLU A . n A 1 206 SER 206 206 206 SER SER A . n A 1 207 MET 207 207 207 MET MET A . n A 1 208 ASN 208 208 208 ASN ASN A . n A 1 209 PHE 209 209 209 PHE PHE A . n A 1 210 ALA 210 210 210 ALA ALA A . n A 1 211 LYS 211 211 211 LYS LYS A . n A 1 212 SER 212 212 212 SER SER A . n A 1 213 PRO 213 213 213 PRO PRO A . n A 1 214 GLU 214 214 214 GLU GLU A . n A 1 215 ILE 215 215 215 ILE ILE A . n A 1 216 ALA 216 216 216 ALA ALA A . n A 1 217 ALA 217 217 217 ALA ALA A . n A 1 218 ARG 218 218 218 ARG ARG A . n A 1 219 PRO 219 219 219 PRO PRO A . n A 1 220 ALA 220 220 220 ALA ALA A . n A 1 221 VAL 221 221 221 VAL VAL A . n A 1 222 ASN 222 222 222 ASN ASN A . n A 1 223 GLY 223 223 223 GLY GLY A . n A 1 224 GLN 224 224 224 GLN GLN A . n A 1 225 ARG 225 225 225 ARG ARG A . n A 1 226 SER 226 226 226 SER SER A . n A 1 227 ARG 227 227 227 ARG ARG A . n A 1 228 ILE 228 228 228 ILE ILE A . n A 1 229 ASP 229 229 229 ASP ASP A . n A 1 230 TYR 230 230 230 TYR TYR A . n A 1 231 TYR 231 231 231 TYR TYR A . n A 1 232 TRP 232 232 232 TRP TRP A . n A 1 233 SER 233 233 233 SER SER A . n A 1 234 VAL 234 234 234 VAL VAL A . n A 1 235 LEU 235 235 235 LEU LEU A . n A 1 236 ARG 236 236 236 ARG ARG A . n A 1 237 PRO 237 237 237 PRO PRO A . n A 1 238 GLY 238 238 238 GLY GLY A . n A 1 239 GLU 239 239 239 GLU GLU A . n A 1 240 THR 240 240 240 THR THR A . n A 1 241 LEU 241 241 241 LEU LEU A . n A 1 242 ASN 242 242 242 ASN ASN A . n A 1 243 VAL 243 243 243 VAL VAL A . n A 1 244 GLU 244 244 244 GLU GLU A . n A 1 245 SER 245 245 245 SER SER A . n A 1 246 ASN 246 246 246 ASN ASN A . n A 1 247 GLY 247 247 247 GLY GLY A . n A 1 248 ASN 248 248 248 ASN ASN A . n A 1 249 LEU 249 249 249 LEU LEU A . n A 1 250 ILE 250 250 250 ILE ILE A . n A 1 251 ALA 251 251 251 ALA ALA A . n A 1 252 PRO 252 252 252 PRO PRO A . n A 1 253 TRP 253 253 253 TRP TRP A . n A 1 254 TYR 254 254 254 TYR TYR A . n A 1 255 ALA 255 255 255 ALA ALA A . n A 1 256 TYR 256 256 256 TYR TYR A . n A 1 257 LYS 257 257 257 LYS LYS A . n A 1 258 PHE 258 258 258 PHE PHE A . n A 1 259 VAL 259 259 259 VAL VAL A . n A 1 260 SER 260 260 260 SER SER A . n A 1 261 THR 261 261 261 THR THR A . n A 1 262 ASN 262 262 262 ASN ASN A . n A 1 263 LYS 263 263 263 LYS LYS A . n A 1 264 LYS 264 264 264 LYS LYS A . n A 1 265 GLY 265 265 265 GLY GLY A . n A 1 266 ALA 266 266 266 ALA ALA A . n A 1 267 VAL 267 267 267 VAL VAL A . n A 1 268 PHE 268 268 268 PHE PHE A . n A 1 269 LYS 269 269 269 LYS LYS A . n A 1 270 SER 270 270 270 SER SER A . n A 1 271 ASP 271 271 271 ASP ASP A . n A 1 272 LEU 272 272 272 LEU LEU A . n A 1 273 PRO 273 273 273 PRO PRO A . n A 1 274 ILE 274 274 274 ILE ILE A . n A 1 275 GLU 275 275 275 GLU GLU A . n A 1 276 ASN 276 276 276 ASN ASN A . n A 1 277 CYS 277 277 277 CYS CYS A . n A 1 278 ASP 278 278 278 ASP ASP A . n A 1 279 ALA 279 279 279 ALA ALA A . n A 1 280 THR 280 280 280 THR THR A . n A 1 281 CYS 281 281 281 CYS CYS A . n A 1 282 GLN 282 282 282 GLN GLN A . n A 1 283 THR 283 283 283 THR THR A . n A 1 284 ILE 284 284 284 ILE ILE A . n A 1 285 THR 285 285 285 THR THR A . n A 1 286 GLY 286 286 286 GLY GLY A . n A 1 287 VAL 287 287 287 VAL VAL A . n A 1 288 LEU 288 288 288 LEU LEU A . n A 1 289 ARG 289 289 289 ARG ARG A . n A 1 290 THR 290 290 290 THR THR A . n A 1 291 ASN 291 291 291 ASN ASN A . n A 1 292 LYS 292 292 292 LYS LYS A . n A 1 293 THR 293 293 293 THR THR A . n A 1 294 PHE 294 294 294 PHE PHE A . n A 1 295 GLN 295 295 295 GLN GLN A . n A 1 296 ASN 296 296 296 ASN ASN A . n A 1 297 VAL 297 297 297 VAL VAL A . n A 1 298 SER 298 298 298 SER SER A . n A 1 299 PRO 299 299 299 PRO PRO A . n A 1 300 LEU 300 300 300 LEU LEU A . n A 1 301 TRP 301 301 301 TRP TRP A . n A 1 302 ILE 302 302 302 ILE ILE A . n A 1 303 GLY 303 303 303 GLY GLY A . n A 1 304 GLU 304 304 304 GLU GLU A . n A 1 305 CYS 305 305 305 CYS CYS A . n A 1 306 PRO 306 306 306 PRO PRO A . n A 1 307 LYS 307 307 307 LYS LYS A . n A 1 308 TYR 308 308 308 TYR TYR A . n A 1 309 VAL 309 309 309 VAL VAL A . n A 1 310 LYS 310 310 310 LYS LYS A . n A 1 311 SER 311 311 311 SER SER A . n A 1 312 GLU 312 312 312 GLU GLU A . n A 1 313 SER 313 313 313 SER SER A . n A 1 314 LEU 314 314 314 LEU LEU A . n A 1 315 ARG 315 315 315 ARG ARG A . n A 1 316 LEU 316 316 316 LEU LEU A . n A 1 317 ALA 317 317 317 ALA ALA A . n A 1 318 THR 318 318 318 THR THR A . n A 1 319 GLY 319 319 319 GLY GLY A . n A 1 320 LEU 320 320 320 LEU LEU A . n A 1 321 ARG 321 321 321 ARG ARG A . n A 1 322 ASN 322 322 322 ASN ASN A . n A 1 323 VAL 323 323 323 VAL VAL A . n A 1 324 PRO 324 324 324 PRO PRO A . n A 1 325 GLN 325 325 325 GLN GLN A . n B 2 1 GLY 1 330 330 GLY GLY B . n B 2 2 ILE 2 331 331 ILE ILE B . n B 2 3 PHE 3 332 332 PHE PHE B . n B 2 4 GLY 4 333 333 GLY GLY B . n B 2 5 ALA 5 334 334 ALA ALA B . n B 2 6 ILE 6 335 335 ILE ILE B . n B 2 7 ALA 7 336 336 ALA ALA B . n B 2 8 GLY 8 337 337 GLY GLY B . n B 2 9 PHE 9 338 338 PHE PHE B . n B 2 10 ILE 10 339 339 ILE ILE B . n B 2 11 GLU 11 340 340 GLU GLU B . n B 2 12 GLY 12 341 341 GLY GLY B . n B 2 13 GLY 13 342 342 GLY GLY B . n B 2 14 TRP 14 343 343 TRP TRP B . n B 2 15 THR 15 344 344 THR THR B . n B 2 16 GLY 16 345 345 GLY GLY B . n B 2 17 MET 17 346 346 MET MET B . n B 2 18 ILE 18 347 347 ILE ILE B . n B 2 19 ASP 19 348 348 ASP ASP B . n B 2 20 GLY 20 349 349 GLY GLY B . n B 2 21 TRP 21 350 350 TRP TRP B . n B 2 22 TYR 22 351 351 TYR TYR B . n B 2 23 GLY 23 352 352 GLY GLY B . n B 2 24 TYR 24 353 353 TYR TYR B . n B 2 25 HIS 25 354 354 HIS HIS B . n B 2 26 HIS 26 355 355 HIS HIS B . n B 2 27 GLU 27 356 356 GLU GLU B . n B 2 28 ASN 28 357 357 ASN ASN B . n B 2 29 SER 29 358 358 SER SER B . n B 2 30 GLN 30 359 359 GLN GLN B . n B 2 31 GLY 31 360 360 GLY GLY B . n B 2 32 SER 32 361 361 SER SER B . n B 2 33 GLY 33 362 362 GLY GLY B . n B 2 34 TYR 34 363 363 TYR TYR B . n B 2 35 ALA 35 364 364 ALA ALA B . n B 2 36 ALA 36 365 365 ALA ALA B . n B 2 37 ASP 37 366 366 ASP ASP B . n B 2 38 ARG 38 367 367 ARG ARG B . n B 2 39 GLU 39 368 368 GLU GLU B . n B 2 40 SER 40 369 369 SER SER B . n B 2 41 THR 41 370 370 THR THR B . n B 2 42 GLN 42 371 371 GLN GLN B . n B 2 43 LYS 43 372 372 LYS LYS B . n B 2 44 ALA 44 373 373 ALA ALA B . n B 2 45 ILE 45 374 374 ILE ILE B . n B 2 46 ASP 46 375 375 ASP ASP B . n B 2 47 GLY 47 376 376 GLY GLY B . n B 2 48 ILE 48 377 377 ILE ILE B . n B 2 49 THR 49 378 378 THR THR B . n B 2 50 ASN 50 379 379 ASN ASN B . n B 2 51 LYS 51 380 380 LYS LYS B . n B 2 52 VAL 52 381 381 VAL VAL B . n B 2 53 ASN 53 382 382 ASN ASN B . n B 2 54 SER 54 383 383 SER SER B . n B 2 55 ILE 55 384 384 ILE ILE B . n B 2 56 ILE 56 385 385 ILE ILE B . n B 2 57 ASN 57 386 386 ASN ASN B . n B 2 58 LYS 58 387 387 LYS LYS B . n B 2 59 MET 59 388 388 MET MET B . n B 2 60 ASN 60 389 389 ASN ASN B . n B 2 61 THR 61 390 390 THR THR B . n B 2 62 GLN 62 391 391 GLN GLN B . n B 2 63 PHE 63 392 392 PHE PHE B . n B 2 64 GLU 64 393 393 GLU GLU B . n B 2 65 ALA 65 394 394 ALA ALA B . n B 2 66 VAL 66 395 395 VAL VAL B . n B 2 67 ASP 67 396 396 ASP ASP B . n B 2 68 HIS 68 397 397 HIS HIS B . n B 2 69 GLU 69 398 398 GLU GLU B . n B 2 70 PHE 70 399 399 PHE PHE B . n B 2 71 SER 71 400 400 SER SER B . n B 2 72 ASN 72 401 401 ASN ASN B . n B 2 73 LEU 73 402 402 LEU LEU B . n B 2 74 GLU 74 403 403 GLU GLU B . n B 2 75 ARG 75 404 404 ARG ARG B . n B 2 76 ARG 76 405 405 ARG ARG B . n B 2 77 ILE 77 406 406 ILE ILE B . n B 2 78 GLY 78 407 407 GLY GLY B . n B 2 79 ASN 79 408 408 ASN ASN B . n B 2 80 LEU 80 409 409 LEU LEU B . n B 2 81 ASN 81 410 410 ASN ASN B . n B 2 82 LYS 82 411 411 LYS LYS B . n B 2 83 ARG 83 412 412 ARG ARG B . n B 2 84 MET 84 413 413 MET MET B . n B 2 85 GLU 85 414 414 GLU GLU B . n B 2 86 ASP 86 415 415 ASP ASP B . n B 2 87 GLY 87 416 416 GLY GLY B . n B 2 88 PHE 88 417 417 PHE PHE B . n B 2 89 LEU 89 418 418 LEU LEU B . n B 2 90 ASP 90 419 419 ASP ASP B . n B 2 91 VAL 91 420 420 VAL VAL B . n B 2 92 TRP 92 421 421 TRP TRP B . n B 2 93 THR 93 422 422 THR THR B . n B 2 94 TYR 94 423 423 TYR TYR B . n B 2 95 ASN 95 424 424 ASN ASN B . n B 2 96 ALA 96 425 425 ALA ALA B . n B 2 97 GLU 97 426 426 GLU GLU B . n B 2 98 LEU 98 427 427 LEU LEU B . n B 2 99 LEU 99 428 428 LEU LEU B . n B 2 100 VAL 100 429 429 VAL VAL B . n B 2 101 LEU 101 430 430 LEU LEU B . n B 2 102 LEU 102 431 431 LEU LEU B . n B 2 103 GLU 103 432 432 GLU GLU B . n B 2 104 ASN 104 433 433 ASN ASN B . n B 2 105 GLU 105 434 434 GLU GLU B . n B 2 106 ARG 106 435 435 ARG ARG B . n B 2 107 THR 107 436 436 THR THR B . n B 2 108 LEU 108 437 437 LEU LEU B . n B 2 109 ASP 109 438 438 ASP ASP B . n B 2 110 LEU 110 439 439 LEU LEU B . n B 2 111 HIS 111 440 440 HIS HIS B . n B 2 112 ASP 112 441 441 ASP ASP B . n B 2 113 ALA 113 442 442 ALA ALA B . n B 2 114 ASN 114 443 443 ASN ASN B . n B 2 115 VAL 115 444 444 VAL VAL B . n B 2 116 LYS 116 445 445 LYS LYS B . n B 2 117 ASN 117 446 446 ASN ASN B . n B 2 118 LEU 118 447 447 LEU LEU B . n B 2 119 TYR 119 448 448 TYR TYR B . n B 2 120 GLU 120 449 449 GLU GLU B . n B 2 121 LYS 121 450 450 LYS LYS B . n B 2 122 VAL 122 451 451 VAL VAL B . n B 2 123 LYS 123 452 452 LYS LYS B . n B 2 124 SER 124 453 453 SER SER B . n B 2 125 GLN 125 454 454 GLN GLN B . n B 2 126 LEU 126 455 455 LEU LEU B . n B 2 127 ARG 127 456 456 ARG ARG B . n B 2 128 ASP 128 457 457 ASP ASP B . n B 2 129 ASN 129 458 458 ASN ASN B . n B 2 130 ALA 130 459 459 ALA ALA B . n B 2 131 ASN 131 460 460 ASN ASN B . n B 2 132 ASP 132 461 461 ASP ASP B . n B 2 133 LEU 133 462 462 LEU LEU B . n B 2 134 GLY 134 463 463 GLY GLY B . n B 2 135 ASN 135 464 464 ASN ASN B . n B 2 136 GLY 136 465 465 GLY GLY B . n B 2 137 CYS 137 466 466 CYS CYS B . n B 2 138 PHE 138 467 467 PHE PHE B . n B 2 139 GLU 139 468 468 GLU GLU B . n B 2 140 PHE 140 469 469 PHE PHE B . n B 2 141 TRP 141 470 470 TRP TRP B . n B 2 142 HIS 142 471 471 HIS HIS B . n B 2 143 LYS 143 472 472 LYS LYS B . n B 2 144 CYS 144 473 473 CYS CYS B . n B 2 145 ASP 145 474 474 ASP ASP B . n B 2 146 ASN 146 475 475 ASN ASN B . n B 2 147 GLU 147 476 476 GLU GLU B . n B 2 148 CYS 148 477 477 CYS CYS B . n B 2 149 MET 149 478 478 MET MET B . n B 2 150 GLU 150 479 479 GLU GLU B . n B 2 151 SER 151 480 480 SER SER B . n B 2 152 VAL 152 481 481 VAL VAL B . n B 2 153 LYS 153 482 482 LYS LYS B . n B 2 154 ASN 154 483 483 ASN ASN B . n B 2 155 GLY 155 484 484 GLY GLY B . n B 2 156 THR 156 485 485 THR THR B . n B 2 157 TYR 157 486 486 TYR TYR B . n B 2 158 ASP 158 487 487 ASP ASP B . n B 2 159 TYR 159 488 488 TYR TYR B . n B 2 160 PRO 160 489 489 PRO PRO B . n B 2 161 LYS 161 490 490 LYS LYS B . n B 2 162 TYR 162 491 491 TYR TYR B . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 3 NAG 1 601 601 NAG NAG A . D 3 NAG 1 602 602 NAG NAG A . E 3 NAG 1 501 604 NAG NAG B . F 3 NAG 2 502 605 NAG NAG B . G 4 BMA 3 503 606 BMA BMA B . H 5 HOH 1 701 99 HOH HOH A . H 5 HOH 2 702 181 HOH HOH A . H 5 HOH 3 703 75 HOH HOH A . H 5 HOH 4 704 129 HOH HOH A . H 5 HOH 5 705 84 HOH HOH A . H 5 HOH 6 706 16 HOH HOH A . H 5 HOH 7 707 42 HOH HOH A . H 5 HOH 8 708 91 HOH HOH A . H 5 HOH 9 709 85 HOH HOH A . H 5 HOH 10 710 47 HOH HOH A . H 5 HOH 11 711 88 HOH HOH A . H 5 HOH 12 712 105 HOH HOH A . H 5 HOH 13 713 80 HOH HOH A . H 5 HOH 14 714 10 HOH HOH A . H 5 HOH 15 715 17 HOH HOH A . H 5 HOH 16 716 66 HOH HOH A . H 5 HOH 17 717 172 HOH HOH A . H 5 HOH 18 718 27 HOH HOH A . H 5 HOH 19 719 48 HOH HOH A . H 5 HOH 20 720 137 HOH HOH A . H 5 HOH 21 721 11 HOH HOH A . H 5 HOH 22 722 22 HOH HOH A . H 5 HOH 23 723 142 HOH HOH A . H 5 HOH 24 724 53 HOH HOH A . H 5 HOH 25 725 162 HOH HOH A . H 5 HOH 26 726 144 HOH HOH A . H 5 HOH 27 727 7 HOH HOH A . H 5 HOH 28 728 40 HOH HOH A . H 5 HOH 29 729 30 HOH HOH A . H 5 HOH 30 730 14 HOH HOH A . H 5 HOH 31 731 70 HOH HOH A . H 5 HOH 32 732 41 HOH HOH A . H 5 HOH 33 733 152 HOH HOH A . H 5 HOH 34 734 166 HOH HOH A . H 5 HOH 35 735 93 HOH HOH A . H 5 HOH 36 736 3 HOH HOH A . H 5 HOH 37 737 160 HOH HOH A . H 5 HOH 38 738 119 HOH HOH A . H 5 HOH 39 739 77 HOH HOH A . H 5 HOH 40 740 38 HOH HOH A . H 5 HOH 41 741 168 HOH HOH A . H 5 HOH 42 742 97 HOH HOH A . H 5 HOH 43 743 147 HOH HOH A . H 5 HOH 44 744 33 HOH HOH A . H 5 HOH 45 745 8 HOH HOH A . H 5 HOH 46 746 24 HOH HOH A . H 5 HOH 47 747 63 HOH HOH A . H 5 HOH 48 748 39 HOH HOH A . H 5 HOH 49 749 12 HOH HOH A . H 5 HOH 50 750 79 HOH HOH A . H 5 HOH 51 751 18 HOH HOH A . H 5 HOH 52 752 179 HOH HOH A . H 5 HOH 53 753 5 HOH HOH A . H 5 HOH 54 754 82 HOH HOH A . H 5 HOH 55 755 135 HOH HOH A . H 5 HOH 56 756 161 HOH HOH A . H 5 HOH 57 757 1 HOH HOH A . H 5 HOH 58 758 109 HOH HOH A . H 5 HOH 59 759 89 HOH HOH A . H 5 HOH 60 760 31 HOH HOH A . H 5 HOH 61 761 153 HOH HOH A . H 5 HOH 62 762 73 HOH HOH A . H 5 HOH 63 763 60 HOH HOH A . H 5 HOH 64 764 50 HOH HOH A . H 5 HOH 65 765 164 HOH HOH A . H 5 HOH 66 766 123 HOH HOH A . H 5 HOH 67 767 113 HOH HOH A . H 5 HOH 68 768 71 HOH HOH A . H 5 HOH 69 769 74 HOH HOH A . H 5 HOH 70 770 167 HOH HOH A . H 5 HOH 71 771 55 HOH HOH A . H 5 HOH 72 772 56 HOH HOH A . H 5 HOH 73 773 118 HOH HOH A . H 5 HOH 74 774 51 HOH HOH A . H 5 HOH 75 775 145 HOH HOH A . H 5 HOH 76 776 81 HOH HOH A . H 5 HOH 77 777 157 HOH HOH A . H 5 HOH 78 778 87 HOH HOH A . H 5 HOH 79 779 180 HOH HOH A . H 5 HOH 80 780 2 HOH HOH A . H 5 HOH 81 781 36 HOH HOH A . H 5 HOH 82 782 44 HOH HOH A . H 5 HOH 83 783 46 HOH HOH A . H 5 HOH 84 784 156 HOH HOH A . H 5 HOH 85 785 100 HOH HOH A . H 5 HOH 86 786 49 HOH HOH A . H 5 HOH 87 787 140 HOH HOH A . H 5 HOH 88 788 98 HOH HOH A . H 5 HOH 89 789 133 HOH HOH A . H 5 HOH 90 790 110 HOH HOH A . H 5 HOH 91 791 186 HOH HOH A . H 5 HOH 92 792 64 HOH HOH A . H 5 HOH 93 793 83 HOH HOH A . H 5 HOH 94 794 174 HOH HOH A . H 5 HOH 95 795 163 HOH HOH A . H 5 HOH 96 796 165 HOH HOH A . H 5 HOH 97 797 67 HOH HOH A . H 5 HOH 98 798 134 HOH HOH A . H 5 HOH 99 799 139 HOH HOH A . H 5 HOH 100 800 158 HOH HOH A . H 5 HOH 101 801 54 HOH HOH A . H 5 HOH 102 802 128 HOH HOH A . H 5 HOH 103 803 116 HOH HOH A . H 5 HOH 104 804 19 HOH HOH A . H 5 HOH 105 805 178 HOH HOH A . H 5 HOH 106 806 90 HOH HOH A . H 5 HOH 107 807 103 HOH HOH A . H 5 HOH 108 808 127 HOH HOH A . I 5 HOH 1 601 184 HOH HOH B . I 5 HOH 2 602 23 HOH HOH B . I 5 HOH 3 603 21 HOH HOH B . I 5 HOH 4 604 149 HOH HOH B . I 5 HOH 5 605 101 HOH HOH B . I 5 HOH 6 606 15 HOH HOH B . I 5 HOH 7 607 68 HOH HOH B . I 5 HOH 8 608 130 HOH HOH B . I 5 HOH 9 609 106 HOH HOH B . I 5 HOH 10 610 132 HOH HOH B . I 5 HOH 11 611 37 HOH HOH B . I 5 HOH 12 612 58 HOH HOH B . I 5 HOH 13 613 25 HOH HOH B . I 5 HOH 14 614 43 HOH HOH B . I 5 HOH 15 615 20 HOH HOH B . I 5 HOH 16 616 115 HOH HOH B . I 5 HOH 17 617 114 HOH HOH B . I 5 HOH 18 618 69 HOH HOH B . I 5 HOH 19 619 35 HOH HOH B . I 5 HOH 20 620 177 HOH HOH B . I 5 HOH 21 621 136 HOH HOH B . I 5 HOH 22 622 59 HOH HOH B . I 5 HOH 23 623 32 HOH HOH B . I 5 HOH 24 624 95 HOH HOH B . I 5 HOH 25 625 182 HOH HOH B . I 5 HOH 26 626 150 HOH HOH B . I 5 HOH 27 627 170 HOH HOH B . I 5 HOH 28 628 171 HOH HOH B . I 5 HOH 29 629 9 HOH HOH B . I 5 HOH 30 630 65 HOH HOH B . I 5 HOH 31 631 94 HOH HOH B . I 5 HOH 32 632 72 HOH HOH B . I 5 HOH 33 633 57 HOH HOH B . I 5 HOH 34 634 45 HOH HOH B . I 5 HOH 35 635 26 HOH HOH B . I 5 HOH 36 636 29 HOH HOH B . I 5 HOH 37 637 155 HOH HOH B . I 5 HOH 38 638 102 HOH HOH B . I 5 HOH 39 639 6 HOH HOH B . I 5 HOH 40 640 4 HOH HOH B . I 5 HOH 41 641 96 HOH HOH B . I 5 HOH 42 642 151 HOH HOH B . I 5 HOH 43 643 141 HOH HOH B . I 5 HOH 44 644 52 HOH HOH B . I 5 HOH 45 645 148 HOH HOH B . I 5 HOH 46 646 86 HOH HOH B . I 5 HOH 47 647 159 HOH HOH B . I 5 HOH 48 648 108 HOH HOH B . I 5 HOH 49 649 13 HOH HOH B . I 5 HOH 50 650 61 HOH HOH B . I 5 HOH 51 651 28 HOH HOH B . I 5 HOH 52 652 112 HOH HOH B . I 5 HOH 53 653 188 HOH HOH B . I 5 HOH 54 654 117 HOH HOH B . I 5 HOH 55 655 92 HOH HOH B . I 5 HOH 56 656 183 HOH HOH B . I 5 HOH 57 657 124 HOH HOH B . I 5 HOH 58 658 62 HOH HOH B . I 5 HOH 59 659 76 HOH HOH B . I 5 HOH 60 660 138 HOH HOH B . I 5 HOH 61 661 34 HOH HOH B . I 5 HOH 62 662 169 HOH HOH B . I 5 HOH 63 663 143 HOH HOH B . I 5 HOH 64 664 122 HOH HOH B . I 5 HOH 65 665 78 HOH HOH B . I 5 HOH 66 666 146 HOH HOH B . I 5 HOH 67 667 173 HOH HOH B . I 5 HOH 68 668 121 HOH HOH B . I 5 HOH 69 669 175 HOH HOH B . I 5 HOH 70 670 131 HOH HOH B . I 5 HOH 71 671 154 HOH HOH B . I 5 HOH 72 672 120 HOH HOH B . I 5 HOH 73 673 125 HOH HOH B . I 5 HOH 74 674 176 HOH HOH B . I 5 HOH 75 675 104 HOH HOH B . I 5 HOH 76 676 185 HOH HOH B . I 5 HOH 77 677 111 HOH HOH B . I 5 HOH 78 678 107 HOH HOH B . I 5 HOH 79 679 187 HOH HOH B . I 5 HOH 80 680 126 HOH HOH B . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details hexameric _pdbx_struct_assembly.oligomeric_count 6 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2,3 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 31850 ? 1 MORE -128 ? 1 'SSA (A^2)' 59940 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_565 -y,x-y+1,z -0.5000000000 -0.8660254038 0.0000000000 -56.9490000000 0.8660254038 -0.5000000000 0.0000000000 98.6385614402 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 3_455 -x+y-1,-x,z -0.5000000000 0.8660254038 0.0000000000 -113.8980000000 -0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # loop_ _pdbx_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 A HOH 804 ? H HOH . 2 1 B HOH 658 ? I HOH . # _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 2016-04-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_refine_tls.id 1 _pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls.details ? _pdbx_refine_tls.method refined _pdbx_refine_tls.origin_x -40.7218 _pdbx_refine_tls.origin_y 39.6464 _pdbx_refine_tls.origin_z -8.5359 _pdbx_refine_tls.T[1][1] 0.1628 _pdbx_refine_tls.T[1][1]_esd ? _pdbx_refine_tls.T[1][2] -0.0275 _pdbx_refine_tls.T[1][2]_esd ? _pdbx_refine_tls.T[1][3] -0.0219 _pdbx_refine_tls.T[1][3]_esd ? _pdbx_refine_tls.T[2][2] 0.2450 _pdbx_refine_tls.T[2][2]_esd ? _pdbx_refine_tls.T[2][3] 0.0125 _pdbx_refine_tls.T[2][3]_esd ? _pdbx_refine_tls.T[3][3] 0.2604 _pdbx_refine_tls.T[3][3]_esd ? _pdbx_refine_tls.L[1][1] 0.2149 _pdbx_refine_tls.L[1][1]_esd ? _pdbx_refine_tls.L[1][2] -0.0193 _pdbx_refine_tls.L[1][2]_esd ? _pdbx_refine_tls.L[1][3] -0.0681 _pdbx_refine_tls.L[1][3]_esd ? _pdbx_refine_tls.L[2][2] 0.2240 _pdbx_refine_tls.L[2][2]_esd ? _pdbx_refine_tls.L[2][3] 0.0394 _pdbx_refine_tls.L[2][3]_esd ? _pdbx_refine_tls.L[3][3] 0.9112 _pdbx_refine_tls.L[3][3]_esd ? _pdbx_refine_tls.S[1][1] -0.0208 _pdbx_refine_tls.S[1][1]_esd ? _pdbx_refine_tls.S[1][2] -0.0404 _pdbx_refine_tls.S[1][2]_esd ? _pdbx_refine_tls.S[1][3] 0.0090 _pdbx_refine_tls.S[1][3]_esd ? _pdbx_refine_tls.S[2][1] 0.0559 _pdbx_refine_tls.S[2][1]_esd ? _pdbx_refine_tls.S[2][2] 0.0012 _pdbx_refine_tls.S[2][2]_esd ? _pdbx_refine_tls.S[2][3] -0.0653 _pdbx_refine_tls.S[2][3]_esd ? _pdbx_refine_tls.S[3][1] -0.0244 _pdbx_refine_tls.S[3][1]_esd ? _pdbx_refine_tls.S[3][2] 0.2047 _pdbx_refine_tls.S[3][2]_esd ? _pdbx_refine_tls.S[3][3] 0.0000 _pdbx_refine_tls.S[3][3]_esd ? # _pdbx_refine_tls_group.id 1 _pdbx_refine_tls_group.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls_group.refine_tls_id 1 _pdbx_refine_tls_group.beg_label_asym_id ? _pdbx_refine_tls_group.beg_label_seq_id ? _pdbx_refine_tls_group.beg_auth_asym_id ? _pdbx_refine_tls_group.beg_auth_seq_id ? _pdbx_refine_tls_group.end_label_asym_id ? _pdbx_refine_tls_group.end_label_seq_id ? _pdbx_refine_tls_group.end_auth_asym_id ? _pdbx_refine_tls_group.end_auth_seq_id ? _pdbx_refine_tls_group.selection ? _pdbx_refine_tls_group.selection_details all # 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 ? 'data processing' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 1 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 2 ? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot ? ? ? . 3 ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.8.3_1479 4 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? SCALA ? ? ? . 5 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALEPACK ? ? ? . 6 # _pdbx_entry_details.entry_id 4YY9 _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details 'THE SEQUENCE OF THIS PROTEIN WAS NOT AVAILABLE AT THE UNIPROT KNOWLEDGEBASE DATABASE (UNIPROTKB) AT THE TIME OF DEPOSITION.' _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 NZ A LYS 37 ? ? O A HOH 701 ? ? 1.92 2 1 O A HOH 776 ? ? O A HOH 799 ? ? 1.96 3 1 OD1 B ASN 386 ? ? O B HOH 601 ? ? 2.03 4 1 OD2 A ASP 185 ? ? O A HOH 702 ? ? 2.04 5 1 O A GLY 130 ? ? O A HOH 703 ? ? 2.05 6 1 O A HOH 805 ? ? O B HOH 653 ? ? 2.07 7 1 OG1 A THR 240 ? ? O A HOH 704 ? ? 2.08 8 1 ND1 B HIS 397 ? ? O B HOH 602 ? ? 2.08 9 1 O B HOH 665 ? ? O B HOH 678 ? ? 2.09 10 1 O A HOH 794 ? ? O B HOH 608 ? ? 2.11 11 1 O B PHE 392 ? ? O B HOH 603 ? ? 2.12 12 1 O B HOH 624 ? ? O B HOH 679 ? ? 2.13 13 1 O B HOH 664 ? ? O B HOH 667 ? ? 2.13 14 1 OD2 A ASP 51 ? ? O A HOH 705 ? ? 2.14 15 1 O B ASP 348 ? ? NH1 B ARG 367 ? ? 2.16 16 1 NE A ARG 315 ? ? O A HOH 706 ? ? 2.16 17 1 O B HOH 672 ? ? O B HOH 680 ? ? 2.17 18 1 NE2 A GLN 172 ? ? O A HOH 707 ? ? 2.19 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 NH2 _pdbx_validate_symm_contact.auth_asym_id_1 B _pdbx_validate_symm_contact.auth_comp_id_1 ARG _pdbx_validate_symm_contact.auth_seq_id_1 456 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 O _pdbx_validate_symm_contact.auth_asym_id_2 B _pdbx_validate_symm_contact.auth_comp_id_2 ASP _pdbx_validate_symm_contact.auth_seq_id_2 461 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 2_565 _pdbx_validate_symm_contact.dist 2.16 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CB _pdbx_validate_rmsd_bond.auth_asym_id_1 A _pdbx_validate_rmsd_bond.auth_comp_id_1 LYS _pdbx_validate_rmsd_bond.auth_seq_id_1 153 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 CG _pdbx_validate_rmsd_bond.auth_asym_id_2 A _pdbx_validate_rmsd_bond.auth_comp_id_2 LYS _pdbx_validate_rmsd_bond.auth_seq_id_2 153 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.352 _pdbx_validate_rmsd_bond.bond_target_value 1.521 _pdbx_validate_rmsd_bond.bond_deviation -0.169 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.027 _pdbx_validate_rmsd_bond.linker_flag N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 LYS A 53 ? ? 53.98 -125.64 2 1 CYS A 135 ? ? -118.31 69.11 3 1 SER A 143 ? ? -130.73 -157.80 4 1 THR A 154 ? ? -78.67 -165.79 5 1 ASP A 155 ? ? -13.07 -63.06 6 1 SER A 156 ? ? 176.06 -5.03 7 1 TYR A 159 ? ? -59.63 101.84 8 1 THR A 204 ? ? -125.98 -166.63 9 1 ALA A 216 ? ? -173.82 148.79 10 1 TRP A 253 ? ? -104.31 -70.32 11 1 LYS A 263 ? ? -78.28 -141.05 12 1 ALA B 334 ? ? -94.45 -61.69 13 1 ASN B 389 ? ? -95.69 34.33 14 1 ARG B 456 ? ? 60.30 -122.91 15 1 ASP B 474 ? ? -75.57 -165.27 16 1 LYS B 490 ? ? -70.03 -163.87 # _pdbx_unobs_or_zero_occ_atoms.id 1 _pdbx_unobs_or_zero_occ_atoms.PDB_model_num 1 _pdbx_unobs_or_zero_occ_atoms.polymer_flag Y _pdbx_unobs_or_zero_occ_atoms.occupancy_flag 1 _pdbx_unobs_or_zero_occ_atoms.auth_asym_id A _pdbx_unobs_or_zero_occ_atoms.auth_comp_id THR _pdbx_unobs_or_zero_occ_atoms.auth_seq_id 121 _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code ? _pdbx_unobs_or_zero_occ_atoms.auth_atom_id CG2 _pdbx_unobs_or_zero_occ_atoms.label_alt_id ? _pdbx_unobs_or_zero_occ_atoms.label_asym_id A _pdbx_unobs_or_zero_occ_atoms.label_comp_id THR _pdbx_unobs_or_zero_occ_atoms.label_seq_id 121 _pdbx_unobs_or_zero_occ_atoms.label_atom_id CG2 # 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 N 0 A NAG 601 ? C NAG ? 2 1 N 0 A NAG 602 ? D NAG ? 3 1 N 0 B NAG 501 ? E NAG ? 4 1 N 0 B NAG 502 ? F NAG ? 5 1 N 0 B BMA 503 ? G BMA ? # loop_ _pdbx_audit_support.funding_organization _pdbx_audit_support.country _pdbx_audit_support.grant_number _pdbx_audit_support.ordinal 'China Ministry of Science and Technology National 973 Project' China 2011CB504703 1 'Intramural Special Grant for Influenza Virus Research from the Chinese Academy of Sciences' China KJZD-EW-L09 2 'Intramural Special Grant for Strategic Priority Research Program of the Chinese Academy of Sciences' China XDB08020100 3 'National Natural Science Foundation of China' China 31402196 4 'China National Grand S&T Special Project' China 2014ZX10004002 5 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 N-ACETYL-D-GLUCOSAMINE NAG 4 BETA-D-MANNOSE BMA 5 water HOH #