data_5E64 # _entry.id 5E64 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.296 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5E64 WWPDB D_1000214385 # loop_ _pdbx_database_related.db_name _pdbx_database_related.details _pdbx_database_related.db_id _pdbx_database_related.content_type PDB . 5E66 unspecified PDB . 5E65 unspecified PDB . 5E62 unspecified PDB . 5E5W 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 5E64 _pdbx_database_status.recvd_initial_deposition_date 2015-10-09 _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 'Song, H.' 1 'Qi, J.' 2 'Shi, Y.' 3 'Gao, G.F.' 4 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'PLoS Pathog.' _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 1553-7374 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 12 _citation.language ? _citation.page_first e1005411 _citation.page_last e1005411 _citation.title ;An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism ; _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1371/journal.ppat.1005411 _citation.pdbx_database_id_PubMed 26816272 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Song, H.' 1 ? primary 'Qi, J.' 2 ? primary 'Khedri, Z.' 3 ? primary 'Diaz, S.' 4 ? primary 'Yu, H.' 5 ? primary 'Chen, X.' 6 ? primary 'Varki, A.' 7 ? primary 'Shi, Y.' 8 ? primary 'Gao, G.F.' 9 ? # _cell.entry_id 5E64 _cell.length_a 165.221 _cell.length_b 165.221 _cell.length_c 165.221 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 24 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5E64 _symmetry.space_group_name_H-M 'P 21 3' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 198 # 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 Hemagglutinin-esterase 46584.062 2 ? ? 'UNP residues 19-445' ? 2 polymer man Hemagglutinin-esterase 17511.521 2 ? ? 'UNP residues 456-621' ? 3 non-polymer syn N-ACETYL-D-GLUCOSAMINE 221.208 18 ? ? ? ? 4 non-polymer man BETA-D-MANNOSE 180.156 3 ? ? ? ? 5 non-polymer man ALPHA-D-MANNOSE 180.156 9 ? ? ? ? 6 non-polymer syn 'CACODYLATE ION' 136.989 2 ? ? ? ? 7 water nat water 18.015 566 ? ? ? ? # 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 ;ELICIVQRVNESFSLHSGFGGNVYSMKTEPMTGFTNVTKGASVINQKDWIGFGDSRTDLTNDQFPASSDVPLAVAKKFRS LSGASLMLSAFGPPGKVDYLYQGCGKEKVFYEGVNWSPEAGIDCFGSNWTQTKKDFYSRIYEAARSSTCMTLVNSLDTKI SSTTATAGTASSCSSSWMKSPLWYAESSVNPGAKPQVCGTEQSATFTLPTSFGIYKCNKHVVQLCYFVYENKAKFNTFGC GDYYQNYYDGNGNLIGGMDNRVAAYRGIANAGVKIECPSKILNPGTYSIKSTPRFLLVPKRSYCFDTDGGYPIQVVQSEW SASRRSDNATEEACLQTEGCIFIKKTTPYVGEADDNHGDIEMRQLLSGLGNNDTVCVSQSGYTKGETPFVKDYLSPPKYG RCQLKTDSGRIPTLPSGLIIPQAGTDS ; ;ELICIVQRVNESFSLHSGFGGNVYSMKTEPMTGFTNVTKGASVINQKDWIGFGDSRTDLTNDQFPASSDVPLAVAKKFRS LSGASLMLSAFGPPGKVDYLYQGCGKEKVFYEGVNWSPEAGIDCFGSNWTQTKKDFYSRIYEAARSSTCMTLVNSLDTKI SSTTATAGTASSCSSSWMKSPLWYAESSVNPGAKPQVCGTEQSATFTLPTSFGIYKCNKHVVQLCYFVYENKAKFNTFGC GDYYQNYYDGNGNLIGGMDNRVAAYRGIANAGVKIECPSKILNPGTYSIKSTPRFLLVPKRSYCFDTDGGYPIQVVQSEW SASRRSDNATEEACLQTEGCIFIKKTTPYVGEADDNHGDIEMRQLLSGLGNNDTVCVSQSGYTKGETPFVKDYLSPPKYG RCQLKTDSGRIPTLPSGLIIPQAGTDS ; A,C ? 2 'polypeptide(L)' no no ;IFGIDDLIFGLLFVGFVAGGVAGGYFWGRSNGGGGGASVSSTQAGFDKIGKDIQQLRNDTNAAIEGFNGRIAHDEQAIKN LAKEIEDARAEALVGELGIIRSLIVANISMNLKESLYELANQITKRGGGIAQEAGPGCWYVDSENCDASCKEYIFNFNGS ATVPTL ; ;IFGIDDLIFGLLFVGFVAGGVAGGYFWGRSNGGGGGASVSSTQAGFDKIGKDIQQLRNDTNAAIEGFNGRIAHDEQAIKN LAKEIEDARAEALVGELGIIRSLIVANISMNLKESLYELANQITKRGGGIAQEAGPGCWYVDSENCDASCKEYIFNFNGS ATVPTL ; B,D ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLU n 1 2 LEU n 1 3 ILE n 1 4 CYS n 1 5 ILE n 1 6 VAL n 1 7 GLN n 1 8 ARG n 1 9 VAL n 1 10 ASN n 1 11 GLU n 1 12 SER n 1 13 PHE n 1 14 SER n 1 15 LEU n 1 16 HIS n 1 17 SER n 1 18 GLY n 1 19 PHE n 1 20 GLY n 1 21 GLY n 1 22 ASN n 1 23 VAL n 1 24 TYR n 1 25 SER n 1 26 MET n 1 27 LYS n 1 28 THR n 1 29 GLU n 1 30 PRO n 1 31 MET n 1 32 THR n 1 33 GLY n 1 34 PHE n 1 35 THR n 1 36 ASN n 1 37 VAL n 1 38 THR n 1 39 LYS n 1 40 GLY n 1 41 ALA n 1 42 SER n 1 43 VAL n 1 44 ILE n 1 45 ASN n 1 46 GLN n 1 47 LYS n 1 48 ASP n 1 49 TRP n 1 50 ILE n 1 51 GLY n 1 52 PHE n 1 53 GLY n 1 54 ASP n 1 55 SER n 1 56 ARG n 1 57 THR n 1 58 ASP n 1 59 LEU n 1 60 THR n 1 61 ASN n 1 62 ASP n 1 63 GLN n 1 64 PHE n 1 65 PRO n 1 66 ALA n 1 67 SER n 1 68 SER n 1 69 ASP n 1 70 VAL n 1 71 PRO n 1 72 LEU n 1 73 ALA n 1 74 VAL n 1 75 ALA n 1 76 LYS n 1 77 LYS n 1 78 PHE n 1 79 ARG n 1 80 SER n 1 81 LEU n 1 82 SER n 1 83 GLY n 1 84 ALA n 1 85 SER n 1 86 LEU n 1 87 MET n 1 88 LEU n 1 89 SER n 1 90 ALA n 1 91 PHE n 1 92 GLY n 1 93 PRO n 1 94 PRO n 1 95 GLY n 1 96 LYS n 1 97 VAL n 1 98 ASP n 1 99 TYR n 1 100 LEU n 1 101 TYR n 1 102 GLN n 1 103 GLY n 1 104 CYS n 1 105 GLY n 1 106 LYS n 1 107 GLU n 1 108 LYS n 1 109 VAL n 1 110 PHE n 1 111 TYR n 1 112 GLU n 1 113 GLY n 1 114 VAL n 1 115 ASN n 1 116 TRP n 1 117 SER n 1 118 PRO n 1 119 GLU n 1 120 ALA n 1 121 GLY n 1 122 ILE n 1 123 ASP n 1 124 CYS n 1 125 PHE n 1 126 GLY n 1 127 SER n 1 128 ASN n 1 129 TRP n 1 130 THR n 1 131 GLN n 1 132 THR n 1 133 LYS n 1 134 LYS n 1 135 ASP n 1 136 PHE n 1 137 TYR n 1 138 SER n 1 139 ARG n 1 140 ILE n 1 141 TYR n 1 142 GLU n 1 143 ALA n 1 144 ALA n 1 145 ARG n 1 146 SER n 1 147 SER n 1 148 THR n 1 149 CYS n 1 150 MET n 1 151 THR n 1 152 LEU n 1 153 VAL n 1 154 ASN n 1 155 SER n 1 156 LEU n 1 157 ASP n 1 158 THR n 1 159 LYS n 1 160 ILE n 1 161 SER n 1 162 SER n 1 163 THR n 1 164 THR n 1 165 ALA n 1 166 THR n 1 167 ALA n 1 168 GLY n 1 169 THR n 1 170 ALA n 1 171 SER n 1 172 SER n 1 173 CYS n 1 174 SER n 1 175 SER n 1 176 SER n 1 177 TRP n 1 178 MET n 1 179 LYS n 1 180 SER n 1 181 PRO n 1 182 LEU n 1 183 TRP n 1 184 TYR n 1 185 ALA n 1 186 GLU n 1 187 SER n 1 188 SER n 1 189 VAL n 1 190 ASN n 1 191 PRO n 1 192 GLY n 1 193 ALA n 1 194 LYS n 1 195 PRO n 1 196 GLN n 1 197 VAL n 1 198 CYS n 1 199 GLY n 1 200 THR n 1 201 GLU n 1 202 GLN n 1 203 SER n 1 204 ALA n 1 205 THR n 1 206 PHE n 1 207 THR n 1 208 LEU n 1 209 PRO n 1 210 THR n 1 211 SER n 1 212 PHE n 1 213 GLY n 1 214 ILE n 1 215 TYR n 1 216 LYS n 1 217 CYS n 1 218 ASN n 1 219 LYS n 1 220 HIS n 1 221 VAL n 1 222 VAL n 1 223 GLN n 1 224 LEU n 1 225 CYS n 1 226 TYR n 1 227 PHE n 1 228 VAL n 1 229 TYR n 1 230 GLU n 1 231 ASN n 1 232 LYS n 1 233 ALA n 1 234 LYS n 1 235 PHE n 1 236 ASN n 1 237 THR n 1 238 PHE n 1 239 GLY n 1 240 CYS n 1 241 GLY n 1 242 ASP n 1 243 TYR n 1 244 TYR n 1 245 GLN n 1 246 ASN n 1 247 TYR n 1 248 TYR n 1 249 ASP n 1 250 GLY n 1 251 ASN n 1 252 GLY n 1 253 ASN n 1 254 LEU n 1 255 ILE n 1 256 GLY n 1 257 GLY n 1 258 MET n 1 259 ASP n 1 260 ASN n 1 261 ARG n 1 262 VAL n 1 263 ALA n 1 264 ALA n 1 265 TYR n 1 266 ARG n 1 267 GLY n 1 268 ILE n 1 269 ALA n 1 270 ASN n 1 271 ALA n 1 272 GLY n 1 273 VAL n 1 274 LYS n 1 275 ILE n 1 276 GLU n 1 277 CYS n 1 278 PRO n 1 279 SER n 1 280 LYS n 1 281 ILE n 1 282 LEU n 1 283 ASN n 1 284 PRO n 1 285 GLY n 1 286 THR n 1 287 TYR n 1 288 SER n 1 289 ILE n 1 290 LYS n 1 291 SER n 1 292 THR n 1 293 PRO n 1 294 ARG n 1 295 PHE n 1 296 LEU n 1 297 LEU n 1 298 VAL n 1 299 PRO n 1 300 LYS n 1 301 ARG n 1 302 SER n 1 303 TYR n 1 304 CYS n 1 305 PHE n 1 306 ASP n 1 307 THR n 1 308 ASP n 1 309 GLY n 1 310 GLY n 1 311 TYR n 1 312 PRO n 1 313 ILE n 1 314 GLN n 1 315 VAL n 1 316 VAL n 1 317 GLN n 1 318 SER n 1 319 GLU n 1 320 TRP n 1 321 SER n 1 322 ALA n 1 323 SER n 1 324 ARG n 1 325 ARG n 1 326 SER n 1 327 ASP n 1 328 ASN n 1 329 ALA n 1 330 THR n 1 331 GLU n 1 332 GLU n 1 333 ALA n 1 334 CYS n 1 335 LEU n 1 336 GLN n 1 337 THR n 1 338 GLU n 1 339 GLY n 1 340 CYS n 1 341 ILE n 1 342 PHE n 1 343 ILE n 1 344 LYS n 1 345 LYS n 1 346 THR n 1 347 THR n 1 348 PRO n 1 349 TYR n 1 350 VAL n 1 351 GLY n 1 352 GLU n 1 353 ALA n 1 354 ASP n 1 355 ASP n 1 356 ASN n 1 357 HIS n 1 358 GLY n 1 359 ASP n 1 360 ILE n 1 361 GLU n 1 362 MET n 1 363 ARG n 1 364 GLN n 1 365 LEU n 1 366 LEU n 1 367 SER n 1 368 GLY n 1 369 LEU n 1 370 GLY n 1 371 ASN n 1 372 ASN n 1 373 ASP n 1 374 THR n 1 375 VAL n 1 376 CYS n 1 377 VAL n 1 378 SER n 1 379 GLN n 1 380 SER n 1 381 GLY n 1 382 TYR n 1 383 THR n 1 384 LYS n 1 385 GLY n 1 386 GLU n 1 387 THR n 1 388 PRO n 1 389 PHE n 1 390 VAL n 1 391 LYS n 1 392 ASP n 1 393 TYR n 1 394 LEU n 1 395 SER n 1 396 PRO n 1 397 PRO n 1 398 LYS n 1 399 TYR n 1 400 GLY n 1 401 ARG n 1 402 CYS n 1 403 GLN n 1 404 LEU n 1 405 LYS n 1 406 THR n 1 407 ASP n 1 408 SER n 1 409 GLY n 1 410 ARG n 1 411 ILE n 1 412 PRO n 1 413 THR n 1 414 LEU n 1 415 PRO n 1 416 SER n 1 417 GLY n 1 418 LEU n 1 419 ILE n 1 420 ILE n 1 421 PRO n 1 422 GLN n 1 423 ALA n 1 424 GLY n 1 425 THR n 1 426 ASP n 1 427 SER n 2 1 ILE n 2 2 PHE n 2 3 GLY n 2 4 ILE n 2 5 ASP n 2 6 ASP n 2 7 LEU n 2 8 ILE n 2 9 PHE n 2 10 GLY n 2 11 LEU n 2 12 LEU n 2 13 PHE n 2 14 VAL n 2 15 GLY n 2 16 PHE n 2 17 VAL n 2 18 ALA n 2 19 GLY n 2 20 GLY n 2 21 VAL n 2 22 ALA n 2 23 GLY n 2 24 GLY n 2 25 TYR n 2 26 PHE n 2 27 TRP n 2 28 GLY n 2 29 ARG n 2 30 SER n 2 31 ASN n 2 32 GLY n 2 33 GLY n 2 34 GLY n 2 35 GLY n 2 36 GLY n 2 37 ALA n 2 38 SER n 2 39 VAL n 2 40 SER n 2 41 SER n 2 42 THR n 2 43 GLN n 2 44 ALA n 2 45 GLY n 2 46 PHE n 2 47 ASP n 2 48 LYS n 2 49 ILE n 2 50 GLY n 2 51 LYS n 2 52 ASP n 2 53 ILE n 2 54 GLN n 2 55 GLN n 2 56 LEU n 2 57 ARG n 2 58 ASN n 2 59 ASP n 2 60 THR n 2 61 ASN n 2 62 ALA n 2 63 ALA n 2 64 ILE n 2 65 GLU n 2 66 GLY n 2 67 PHE n 2 68 ASN n 2 69 GLY n 2 70 ARG n 2 71 ILE n 2 72 ALA n 2 73 HIS n 2 74 ASP n 2 75 GLU n 2 76 GLN n 2 77 ALA n 2 78 ILE n 2 79 LYS n 2 80 ASN n 2 81 LEU n 2 82 ALA n 2 83 LYS n 2 84 GLU n 2 85 ILE n 2 86 GLU n 2 87 ASP n 2 88 ALA n 2 89 ARG n 2 90 ALA n 2 91 GLU n 2 92 ALA n 2 93 LEU n 2 94 VAL n 2 95 GLY n 2 96 GLU n 2 97 LEU n 2 98 GLY n 2 99 ILE n 2 100 ILE n 2 101 ARG n 2 102 SER n 2 103 LEU n 2 104 ILE n 2 105 VAL n 2 106 ALA n 2 107 ASN n 2 108 ILE n 2 109 SER n 2 110 MET n 2 111 ASN n 2 112 LEU n 2 113 LYS n 2 114 GLU n 2 115 SER n 2 116 LEU n 2 117 TYR n 2 118 GLU n 2 119 LEU n 2 120 ALA n 2 121 ASN n 2 122 GLN n 2 123 ILE n 2 124 THR n 2 125 LYS n 2 126 ARG n 2 127 GLY n 2 128 GLY n 2 129 GLY n 2 130 ILE n 2 131 ALA n 2 132 GLN n 2 133 GLU n 2 134 ALA n 2 135 GLY n 2 136 PRO n 2 137 GLY n 2 138 CYS n 2 139 TRP n 2 140 TYR n 2 141 VAL n 2 142 ASP n 2 143 SER n 2 144 GLU n 2 145 ASN n 2 146 CYS n 2 147 ASP n 2 148 ALA n 2 149 SER n 2 150 CYS n 2 151 LYS n 2 152 GLU n 2 153 TYR n 2 154 ILE n 2 155 PHE n 2 156 ASN n 2 157 PHE n 2 158 ASN n 2 159 GLY n 2 160 SER n 2 161 ALA n 2 162 THR n 2 163 VAL n 2 164 PRO n 2 165 THR n 2 166 LEU 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' 1 427 ? ? HEF ? D/swine/Oklahoma/1334/2011 ? ? ? ? 'Influenza D virus (D/swine/Oklahoma/1334/2011)' 1173138 ? ? ? ? ? ? ? ? 'TRICHOPLUSIA NI' 7111 ? ? ? ? ? ? ? ? HI5 ? ? ? ? ? BACULOVIRUS ? ? ? PFASTBAC1 ? ? 2 1 sample 'Biological sequence' 1 166 ? ? HEF ? D/swine/Oklahoma/1334/2011 ? ? ? ? 'Influenza D virus (D/swine/Oklahoma/1334/2011)' 1173138 ? ? ? ? ? ? ? ? 'Spodoptera frugiperda' 7108 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 UNP K9LG83_9ORTO K9LG83 ? 1 ;ELICIVQRVNESFSLHSGFGGNVYSMKTEPMTGFTNVTKGASVINQKDWIGFGDSRTDLTNDQFPASSDVPLAVAKKFRS LSGASLMLSAFGPPGKVDYLYQGCGKEKVFYEGVNWSPEAGIDCFGSNWTQTKKDFYSRIYEAARSSTCMTLVNSLDTKI SSTTATAGTASSCSSSWMKSPLWYAESSVNPGAKPQVCGTEQSATFTLPTSFGIYKCNKHVVQLCYFVYENKAKFNTFGC GDYYQNYYDGNGNLIGGMDNRVAAYRGIANAGVKIECPSKILNPGTYSIKSTPRFLLVPKRSYCFDTDGGYPIQVVQSEW SASRRSDNATEEACLQTEGCIFIKKTTPYVGEADDNHGDIEMRQLLSGLGNNDTVCVSQSGYTKGETPFVKDYLSPPKYG RCQLKTDSGRIPTLPSGLIIPQAGTDS ; 19 2 UNP K9LG83_9ORTO K9LG83 ? 2 ;IFGIDDLIFGLLFVGFVAGGVAGGYFWGRSNGGGGGASVSSTQAGFDKIGKDIQQLRNDTNAAIEGFNGRIAHDEQAIKN LAKEIEDARAEALVGELGIIRSLIVANISMNLKESLYELANQITKRGGGIAQEAGPGCWYVDSENCDASCKEYIFNFNGS ATVPTL ; 456 # 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 5E64 A 1 ? 427 ? K9LG83 19 ? 445 ? 3 429 2 2 5E64 B 1 ? 166 ? K9LG83 456 ? 621 ? 1 166 3 1 5E64 C 1 ? 427 ? K9LG83 19 ? 445 ? 3 429 4 2 5E64 D 1 ? 166 ? K9LG83 456 ? 621 ? 1 166 # 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 CAC non-polymer . 'CACODYLATE ION' dimethylarsinate 'C2 H6 As O2 -1' 136.989 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 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 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 5E64 _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.93 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 58.05 _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 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.1M PCTP (Propionic acid, Cacodylate, Bis-tris propane system) buffer pH 8.5, 22.5%(w/v) PEG 1500' _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 315' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2014-10-01 # _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 _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 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BL17U _diffrn_source.pdbx_synchrotron_site SSRF # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 5E64 _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 50.000 _reflns.d_resolution_high 2.400 _reflns.number_obs 58686 _reflns.number_all ? _reflns.percent_possible_obs 100.0 _reflns.pdbx_Rmerge_I_obs 0.114 _reflns.pdbx_Rsym_value 0.114 _reflns.pdbx_netI_over_sigmaI 19.8000 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 8.600 # _reflns_shell.d_res_high 2.40 _reflns_shell.d_res_low 2.49 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 4.9 _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 100 _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 0.524 _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 8.7 _reflns_shell.pdbx_Rsym_value 0.524 _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5E64 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 58686 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.340 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 47.70 _refine.ls_d_res_high 2.40 _refine.ls_percent_reflns_obs 100.0 _refine.ls_R_factor_obs 0.203 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.201 _refine.ls_R_factor_R_free 0.245 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.050 _refine.ls_number_reflns_R_free 2965 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method NONE _refine.details ? _refine.pdbx_starting_model 1FLC _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.290 _refine.pdbx_overall_phase_error 24.540 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 8695 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 392 _refine_hist.number_atoms_solvent 566 _refine_hist.number_atoms_total 9653 _refine_hist.d_res_high 2.40 _refine_hist.d_res_low 47.70 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function f_bond_d 0.006 ? ? 9323 'X-RAY DIFFRACTION' ? f_angle_d 1.299 ? ? 12641 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 14.678 ? ? 3422 'X-RAY DIFFRACTION' ? f_chiral_restr 0.050 ? ? 1440 'X-RAY DIFFRACTION' ? f_plane_restr 0.006 ? ? 1606 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.number_reflns_obs 'X-RAY DIFFRACTION' . 2.4016 2.4410 2621 0.2275 100.00 0.3065 . . 150 . . . . 'X-RAY DIFFRACTION' . 2.4410 2.4830 2655 0.2223 100.00 0.2773 . . 139 . . . . 'X-RAY DIFFRACTION' . 2.4830 2.5282 2598 0.2175 100.00 0.3057 . . 143 . . . . 'X-RAY DIFFRACTION' . 2.5282 2.5768 2629 0.2195 100.00 0.2737 . . 156 . . . . 'X-RAY DIFFRACTION' . 2.5768 2.6294 2641 0.2219 100.00 0.3154 . . 127 . . . . 'X-RAY DIFFRACTION' . 2.6294 2.6866 2611 0.2167 100.00 0.2778 . . 142 . . . . 'X-RAY DIFFRACTION' . 2.6866 2.7491 2657 0.2174 100.00 0.2598 . . 139 . . . . 'X-RAY DIFFRACTION' . 2.7491 2.8178 2626 0.2246 100.00 0.2717 . . 125 . . . . 'X-RAY DIFFRACTION' . 2.8178 2.8940 2643 0.2125 100.00 0.2849 . . 143 . . . . 'X-RAY DIFFRACTION' . 2.8940 2.9791 2620 0.2106 100.00 0.2727 . . 175 . . . . 'X-RAY DIFFRACTION' . 2.9791 3.0753 2629 0.2096 100.00 0.2613 . . 154 . . . . 'X-RAY DIFFRACTION' . 3.0753 3.1852 2664 0.2096 100.00 0.2603 . . 131 . . . . 'X-RAY DIFFRACTION' . 3.1852 3.3127 2600 0.2100 100.00 0.2705 . . 156 . . . . 'X-RAY DIFFRACTION' . 3.3127 3.4634 2646 0.2022 100.00 0.2578 . . 146 . . . . 'X-RAY DIFFRACTION' . 3.4634 3.6459 2660 0.1910 100.00 0.2613 . . 149 . . . . 'X-RAY DIFFRACTION' . 3.6459 3.8742 2659 0.1824 100.00 0.2136 . . 118 . . . . 'X-RAY DIFFRACTION' . 3.8742 4.1732 2689 0.1754 100.00 0.1697 . . 131 . . . . 'X-RAY DIFFRACTION' . 4.1732 4.5929 2681 0.1587 100.00 0.1799 . . 126 . . . . 'X-RAY DIFFRACTION' . 4.5929 5.2568 2674 0.1649 100.00 0.1947 . . 148 . . . . 'X-RAY DIFFRACTION' . 5.2568 6.6201 2730 0.2064 100.00 0.2581 . . 129 . . . . 'X-RAY DIFFRACTION' . 6.6201 47.7046 2788 0.2372 99.00 0.2456 . . 138 . . . . # _struct.entry_id 5E64 _struct.title 'Hemagglutinin-esterase-fusion protein structure of influenza D virus' _struct.pdbx_descriptor Hemagglutinin-esterase _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 5E64 _struct_keywords.text 'influenza virus, HEF, surface, HYDROLASE' _struct_keywords.pdbx_keywords HYDROLASE # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 1 ? D N N 2 ? E N N 3 ? F N N 3 ? G N N 4 ? H N N 5 ? I N N 5 ? J N N 5 ? K N N 3 ? L N N 3 ? M N N 4 ? N N N 5 ? O N N 5 ? P N N 5 ? Q N N 3 ? R N N 3 ? S N N 6 ? T N N 3 ? U N N 3 ? V N N 3 ? W N N 3 ? X N N 3 ? Y N N 4 ? Z N N 5 ? AA N N 5 ? BA N N 5 ? CA N N 3 ? DA N N 3 ? EA N N 3 ? FA N N 3 ? GA N N 6 ? HA N N 3 ? IA N N 3 ? JA N N 3 ? KA N N 7 ? LA N N 7 ? MA N N 7 ? NA N N 7 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 SER A 55 ? ASP A 58 ? SER A 57 ASP A 60 5 ? 4 HELX_P HELX_P2 AA2 PRO A 71 ? LYS A 76 ? PRO A 73 LYS A 78 1 ? 6 HELX_P HELX_P3 AA3 SER A 85 ? GLY A 92 ? SER A 87 GLY A 94 1 ? 8 HELX_P HELX_P4 AA4 SER A 117 ? GLY A 121 ? SER A 119 GLY A 123 5 ? 5 HELX_P HELX_P5 AA5 ASN A 128 ? SER A 146 ? ASN A 130 SER A 148 1 ? 19 HELX_P HELX_P6 AA6 ALA A 170 ? SER A 174 ? ALA A 172 SER A 176 5 ? 5 HELX_P HELX_P7 AA7 ASN A 231 ? ASN A 236 ? ASN A 233 ASN A 238 1 ? 6 HELX_P HELX_P8 AA8 ASN A 328 ? GLN A 336 ? ASN A 330 GLN A 338 1 ? 9 HELX_P HELX_P9 AA9 ASP A 359 ? SER A 367 ? ASP A 361 SER A 369 1 ? 9 HELX_P HELX_P10 AB1 GLY A 368 ? ASN A 371 ? GLY A 370 ASN A 373 5 ? 4 HELX_P HELX_P11 AB2 ASP A 407 ? ILE A 411 ? ASP A 409 ILE A 413 5 ? 5 HELX_P HELX_P12 AB3 PHE B 46 ? ASP B 59 ? PHE B 46 ASP B 59 1 ? 14 HELX_P HELX_P13 AB4 THR B 60 ? GLY B 69 ? THR B 60 GLY B 69 1 ? 10 HELX_P HELX_P14 AB5 ALA B 82 ? LYS B 125 ? ALA B 82 LYS B 125 1 ? 44 HELX_P HELX_P15 AB6 ALA B 148 ? ASN B 156 ? ALA B 148 ASN B 156 1 ? 9 HELX_P HELX_P16 AB7 SER C 55 ? ASP C 58 ? SER C 57 ASP C 60 5 ? 4 HELX_P HELX_P17 AB8 PRO C 71 ? LYS C 76 ? PRO C 73 LYS C 78 1 ? 6 HELX_P HELX_P18 AB9 SER C 85 ? GLY C 92 ? SER C 87 GLY C 94 1 ? 8 HELX_P HELX_P19 AC1 SER C 117 ? GLY C 121 ? SER C 119 GLY C 123 5 ? 5 HELX_P HELX_P20 AC2 ASN C 128 ? SER C 146 ? ASN C 130 SER C 148 1 ? 19 HELX_P HELX_P21 AC3 ALA C 170 ? SER C 174 ? ALA C 172 SER C 176 5 ? 5 HELX_P HELX_P22 AC4 ASN C 328 ? GLN C 336 ? ASN C 330 GLN C 338 1 ? 9 HELX_P HELX_P23 AC5 ASP C 359 ? SER C 367 ? ASP C 361 SER C 369 1 ? 9 HELX_P HELX_P24 AC6 GLY C 368 ? ASN C 371 ? GLY C 370 ASN C 373 5 ? 4 HELX_P HELX_P25 AC7 ASP C 407 ? ILE C 411 ? ASP C 409 ILE C 413 5 ? 5 HELX_P HELX_P26 AC8 PHE D 46 ? ASP D 59 ? PHE D 46 ASP D 59 1 ? 14 HELX_P HELX_P27 AC9 THR D 60 ? GLY D 69 ? THR D 60 GLY D 69 1 ? 10 HELX_P HELX_P28 AD1 ALA D 82 ? GLY D 127 ? ALA D 82 GLY D 127 1 ? 46 HELX_P HELX_P29 AD2 ALA D 148 ? PHE D 155 ? ALA D 148 PHE D 155 1 ? 8 # _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 138 SG ? ? A CYS 6 B CYS 138 1_555 ? ? ? ? ? ? ? 2.038 ? disulf2 disulf ? ? A CYS 104 SG ? ? ? 1_555 A CYS 149 SG ? ? A CYS 106 A CYS 151 1_555 ? ? ? ? ? ? ? 2.038 ? disulf3 disulf ? ? A CYS 124 SG ? ? ? 1_555 A CYS 173 SG ? ? A CYS 126 A CYS 175 1_555 ? ? ? ? ? ? ? 2.048 ? disulf4 disulf ? ? A CYS 198 SG ? ? ? 1_555 A CYS 240 SG ? ? A CYS 200 A CYS 242 1_555 ? ? ? ? ? ? ? 2.036 ? disulf5 disulf ? ? A CYS 217 SG ? ? ? 1_555 A CYS 304 SG ? ? A CYS 219 A CYS 306 1_555 ? ? ? ? ? ? ? 2.038 ? disulf6 disulf ? ? A CYS 225 SG ? ? ? 1_555 A CYS 277 SG ? ? A CYS 227 A CYS 279 1_555 ? ? ? ? ? ? ? 2.063 ? disulf7 disulf ? ? A CYS 334 SG ? ? ? 1_555 A CYS 340 SG ? ? A CYS 336 A CYS 342 1_555 ? ? ? ? ? ? ? 2.049 ? disulf8 disulf ? ? A CYS 376 SG ? ? ? 1_555 A CYS 402 SG ? ? A CYS 378 A CYS 404 1_555 ? ? ? ? ? ? ? 2.067 ? disulf9 disulf ? ? B CYS 146 SG ? ? ? 1_555 B CYS 150 SG ? ? B CYS 146 B CYS 150 1_555 ? ? ? ? ? ? ? 2.034 ? disulf10 disulf ? ? C CYS 4 SG ? ? ? 1_555 D CYS 138 SG ? ? C CYS 6 D CYS 138 1_555 ? ? ? ? ? ? ? 2.035 ? disulf11 disulf ? ? C CYS 104 SG ? ? ? 1_555 C CYS 149 SG ? ? C CYS 106 C CYS 151 1_555 ? ? ? ? ? ? ? 2.035 ? disulf12 disulf ? ? C CYS 124 SG ? ? ? 1_555 C CYS 173 SG ? ? C CYS 126 C CYS 175 1_555 ? ? ? ? ? ? ? 2.037 ? disulf13 disulf ? ? C CYS 198 SG ? ? ? 1_555 C CYS 240 SG ? ? C CYS 200 C CYS 242 1_555 ? ? ? ? ? ? ? 2.031 ? disulf14 disulf ? ? C CYS 217 SG ? ? ? 1_555 C CYS 304 SG ? ? C CYS 219 C CYS 306 1_555 ? ? ? ? ? ? ? 2.037 ? disulf15 disulf ? ? C CYS 225 SG ? ? ? 1_555 C CYS 277 SG ? ? C CYS 227 C CYS 279 1_555 ? ? ? ? ? ? ? 2.075 ? disulf16 disulf ? ? C CYS 334 SG ? ? ? 1_555 C CYS 340 SG ? ? C CYS 336 C CYS 342 1_555 ? ? ? ? ? ? ? 2.049 ? disulf17 disulf ? ? C CYS 376 SG ? ? ? 1_555 C CYS 402 SG ? ? C CYS 378 C CYS 404 1_555 ? ? ? ? ? ? ? 2.050 ? disulf18 disulf ? ? D CYS 146 SG ? ? ? 1_555 D CYS 150 SG ? ? D CYS 146 D CYS 150 1_555 ? ? ? ? ? ? ? 2.025 ? covale1 covale one ? A ASN 10 ND2 ? ? ? 1_555 Q NAG . C1 ? ? A ASN 12 A NAG 713 1_555 ? ? ? ? ? ? ? 1.442 ? covale2 covale one ? A ASN 128 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 130 A NAG 701 1_555 ? ? ? ? ? ? ? 1.432 ? covale3 covale one ? A ASN 328 ND2 ? ? ? 1_555 K NAG . C1 ? ? A ASN 330 A NAG 707 1_555 ? ? ? ? ? ? ? 1.445 ? covale4 covale one ? B ASN 58 ND2 ? ? ? 1_555 V NAG . C1 ? ? B ASN 58 B NAG 703 1_555 ? ? ? ? ? ? ? 1.441 ? covale5 covale one ? B ASN 107 ND2 ? ? ? 1_555 T NAG . C1 ? ? B ASN 107 B NAG 701 1_555 ? ? ? ? ? ? ? 1.437 ? covale6 covale one ? C ASN 10 ND2 ? ? ? 1_555 EA NAG . C1 ? ? C ASN 12 C NAG 709 1_555 ? ? ? ? ? ? ? 1.434 ? covale7 covale one ? C ASN 128 ND2 ? ? ? 1_555 W NAG . C1 ? ? C ASN 130 C NAG 701 1_555 ? ? ? ? ? ? ? 1.444 ? covale8 covale one ? C ASN 328 ND2 ? ? ? 1_555 CA NAG . C1 ? ? C ASN 330 C NAG 707 1_555 ? ? ? ? ? ? ? 1.447 ? covale9 covale one ? D ASN 58 ND2 ? ? ? 1_555 JA NAG . C1 ? ? D ASN 58 D NAG 703 1_555 ? ? ? ? ? ? ? 1.442 ? covale10 covale one ? D ASN 107 ND2 ? ? ? 1_555 HA NAG . C1 ? ? D ASN 107 D NAG 701 1_555 ? ? ? ? ? ? ? 1.436 ? covale11 covale both ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 701 A NAG 702 1_555 ? ? ? ? ? ? ? 1.422 ? covale12 covale both ? F NAG . O4 ? ? ? 1_555 G BMA . C1 ? ? A NAG 702 A BMA 703 1_555 ? ? ? ? ? ? ? 1.424 ? covale13 covale one ? G BMA . O6 ? ? ? 1_555 H MAN . C1 ? ? A BMA 703 A MAN 704 1_555 ? ? ? ? ? ? ? 1.430 ? covale14 covale one ? H MAN . O3 ? ? ? 1_555 J MAN . C1 ? ? A MAN 704 A MAN 706 1_555 ? ? ? ? ? ? ? 1.429 ? covale15 covale one ? H MAN . O6 ? ? ? 1_555 I MAN . C1 ? ? A MAN 704 A MAN 705 1_555 ? ? ? ? ? ? ? 1.425 ? covale16 covale both ? K NAG . O4 ? ? ? 1_555 L NAG . C1 ? ? A NAG 707 A NAG 708 1_555 ? ? ? ? ? ? ? 1.444 ? covale17 covale both ? L NAG . O4 ? ? ? 1_555 M BMA . C1 ? ? A NAG 708 A BMA 709 1_555 ? ? ? ? ? ? ? 1.468 ? covale18 covale one ? M BMA . O3 ? ? ? 1_555 N MAN . C1 ? ? A BMA 709 A MAN 710 1_555 ? ? ? ? ? ? ? 1.458 ? covale19 covale one ? M BMA . O6 ? ? ? 1_555 P MAN . C1 ? ? A BMA 709 A MAN 712 1_555 ? ? ? ? ? ? ? 1.420 ? covale20 covale one ? N MAN . O3 ? ? ? 1_555 O MAN . C1 ? ? A MAN 710 A MAN 711 1_555 ? ? ? ? ? ? ? 1.435 ? covale21 covale both ? Q NAG . O4 ? ? ? 1_555 R NAG . C1 ? ? A NAG 713 A NAG 714 1_555 ? ? ? ? ? ? ? 1.435 ? covale22 covale both ? T NAG . O4 ? ? ? 1_555 U NAG . C1 ? ? B NAG 701 B NAG 702 1_555 ? ? ? ? ? ? ? 1.439 ? covale23 covale both ? W NAG . O4 ? ? ? 1_555 X NAG . C1 ? ? C NAG 701 C NAG 702 1_555 ? ? ? ? ? ? ? 1.439 ? covale24 covale both ? X NAG . O4 ? ? ? 1_555 Y BMA . C1 ? ? C NAG 702 C BMA 703 1_555 ? ? ? ? ? ? ? 1.447 ? covale25 covale one ? Y BMA . O6 ? ? ? 1_555 Z MAN . C1 ? ? C BMA 703 C MAN 704 1_555 ? ? ? ? ? ? ? 1.435 ? covale26 covale one ? Z MAN . O3 ? ? ? 1_555 BA MAN . C1 ? ? C MAN 704 C MAN 706 1_555 ? ? ? ? ? ? ? 1.432 ? covale27 covale one ? Z MAN . O6 ? ? ? 1_555 AA MAN . C1 ? ? C MAN 704 C MAN 705 1_555 ? ? ? ? ? ? ? 1.431 ? covale28 covale both ? CA NAG . O4 ? ? ? 1_555 DA NAG . C1 ? ? C NAG 707 C NAG 708 1_555 ? ? ? ? ? ? ? 1.448 ? covale29 covale both ? EA NAG . O4 ? ? ? 1_555 FA NAG . C1 ? ? C NAG 709 C NAG 710 1_555 ? ? ? ? ? ? ? 1.443 ? covale30 covale both ? HA NAG . O4 ? ? ? 1_555 IA NAG . C1 ? ? D NAG 701 D NAG 702 1_555 ? ? ? ? ? ? ? 1.436 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 PHE 64 A . ? PHE 66 A PRO 65 A ? PRO 67 A 1 2.03 2 SER 180 A . ? SER 182 A PRO 181 A ? PRO 183 A 1 1.87 3 LEU 369 A . ? LEU 371 A GLY 370 A ? GLY 372 A 1 9.71 4 PRO 396 A . ? PRO 398 A PRO 397 A ? PRO 399 A 1 -3.44 5 GLY 34 B . ? GLY 34 B GLY 35 B ? GLY 35 B 1 -1.65 6 GLY 128 B . ? GLY 128 B GLY 129 B ? GLY 129 B 1 3.42 7 PHE 64 C . ? PHE 66 C PRO 65 C ? PRO 67 C 1 0.17 8 SER 180 C . ? SER 182 C PRO 181 C ? PRO 183 C 1 0.11 9 PRO 195 C . ? PRO 197 C GLN 196 C ? GLN 198 C 1 -0.01 10 LEU 369 C . ? LEU 371 C GLY 370 C ? GLY 372 C 1 17.04 11 PRO 396 C . ? PRO 398 C PRO 397 C ? PRO 399 C 1 -3.56 12 GLY 34 D . ? GLY 34 D GLY 35 D ? GLY 35 D 1 0.44 13 GLY 128 D . ? GLY 128 D GLY 129 D ? GLY 129 D 1 1.00 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 4 ? AA2 ? 3 ? AA3 ? 3 ? AA4 ? 5 ? AA5 ? 5 ? AA6 ? 5 ? AA7 ? 3 ? AA8 ? 2 ? AA9 ? 2 ? AB1 ? 4 ? AB2 ? 2 ? AB3 ? 3 ? AB4 ? 3 ? AB5 ? 3 ? AB6 ? 5 ? AB7 ? 5 ? AB8 ? 5 ? AB9 ? 3 ? AC1 ? 2 ? AC2 ? 2 ? AC3 ? 4 ? AC4 ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA2 1 2 ? parallel AA2 2 3 ? anti-parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA4 1 2 ? parallel AA4 2 3 ? parallel AA4 3 4 ? parallel AA4 4 5 ? parallel AA5 1 2 ? anti-parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA5 4 5 ? anti-parallel AA6 1 2 ? anti-parallel AA6 2 3 ? anti-parallel AA6 3 4 ? anti-parallel AA6 4 5 ? anti-parallel AA7 1 2 ? anti-parallel AA7 2 3 ? anti-parallel AA8 1 2 ? anti-parallel AA9 1 2 ? anti-parallel AB1 1 2 ? anti-parallel AB1 2 3 ? anti-parallel AB1 3 4 ? anti-parallel AB2 1 2 ? parallel AB3 1 2 ? parallel AB3 2 3 ? anti-parallel AB4 1 2 ? parallel AB4 2 3 ? anti-parallel AB5 1 2 ? anti-parallel AB5 2 3 ? anti-parallel AB6 1 2 ? parallel AB6 2 3 ? parallel AB6 3 4 ? parallel AB6 4 5 ? parallel AB7 1 2 ? anti-parallel AB7 2 3 ? anti-parallel AB7 3 4 ? anti-parallel AB7 4 5 ? anti-parallel AB8 1 2 ? anti-parallel AB8 2 3 ? anti-parallel AB8 3 4 ? anti-parallel AB8 4 5 ? anti-parallel AB9 1 2 ? anti-parallel AB9 2 3 ? anti-parallel AC1 1 2 ? anti-parallel AC2 1 2 ? anti-parallel AC3 1 2 ? anti-parallel AC3 2 3 ? anti-parallel AC3 3 4 ? anti-parallel AC4 1 2 ? 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 VAL B 14 ? PHE B 16 ? VAL B 14 PHE B 16 AA1 2 LEU A 2 ? VAL A 9 ? LEU A 4 VAL A 11 AA1 3 GLY B 24 ? ARG B 29 ? GLY B 24 ARG B 29 AA1 4 VAL B 39 ? SER B 40 ? VAL B 39 SER B 40 AA2 1 VAL B 14 ? PHE B 16 ? VAL B 14 PHE B 16 AA2 2 LEU A 2 ? VAL A 9 ? LEU A 4 VAL A 11 AA2 3 CYS B 138 ? TYR B 140 ? CYS B 138 TYR B 140 AA3 1 SER A 14 ? HIS A 16 ? SER A 16 HIS A 18 AA3 2 ASN A 22 ? PRO A 30 ? ASN A 24 PRO A 32 AA3 3 THR A 413 ? GLN A 422 ? THR A 415 GLN A 424 AA4 1 PHE A 78 ? SER A 80 ? PHE A 80 SER A 82 AA4 2 TRP A 49 ? GLY A 53 ? TRP A 51 GLY A 55 AA4 3 GLU A 107 ? TYR A 111 ? GLU A 109 TYR A 113 AA4 4 ILE A 313 ? VAL A 316 ? ILE A 315 VAL A 318 AA4 5 CYS A 340 ? ILE A 343 ? CYS A 342 ILE A 345 AA5 1 GLN A 102 ? CYS A 104 ? GLN A 104 CYS A 106 AA5 2 CYS A 149 ? VAL A 153 ? CYS A 151 VAL A 155 AA5 3 SER A 302 ? PHE A 305 ? SER A 304 PHE A 307 AA5 4 LYS A 219 ? GLN A 223 ? LYS A 221 GLN A 225 AA5 5 SER A 279 ? LEU A 282 ? SER A 281 LEU A 284 AA6 1 ASP A 157 ? ILE A 160 ? ASP A 159 ILE A 162 AA6 2 GLN A 202 ? LEU A 208 ? GLN A 204 LEU A 210 AA6 3 GLY A 285 ? SER A 291 ? GLY A 287 SER A 293 AA6 4 TYR A 244 ? TYR A 248 ? TYR A 246 TYR A 250 AA6 5 LEU A 254 ? ASP A 259 ? LEU A 256 ASP A 261 AA7 1 THR A 166 ? ALA A 167 ? THR A 168 ALA A 169 AA7 2 LEU A 182 ? ALA A 185 ? LEU A 184 ALA A 187 AA7 3 PHE A 295 ? VAL A 298 ? PHE A 297 VAL A 300 AA8 1 SER A 211 ? PHE A 212 ? SER A 213 PHE A 214 AA8 2 TYR A 215 ? LYS A 216 ? TYR A 217 LYS A 218 AA9 1 TYR A 226 ? VAL A 228 ? TYR A 228 VAL A 230 AA9 2 LYS A 274 ? GLU A 276 ? LYS A 276 GLU A 278 AB1 1 GLY A 381 ? THR A 383 ? GLY A 383 THR A 385 AB1 2 CYS A 376 ? SER A 378 ? CYS A 378 SER A 380 AB1 3 LYS A 398 ? ARG A 401 ? LYS A 400 ARG A 403 AB1 4 HIS B 73 ? GLN B 76 ? HIS B 73 GLN B 76 AB2 1 PHE A 389 ? VAL A 390 ? PHE A 391 VAL A 392 AB2 2 LEU A 404 ? LYS A 405 ? LEU A 406 LYS A 407 AB3 1 VAL D 14 ? PHE D 16 ? VAL D 14 PHE D 16 AB3 2 LEU C 2 ? VAL C 9 ? LEU C 4 VAL C 11 AB3 3 GLY D 24 ? GLY D 28 ? GLY D 24 GLY D 28 AB4 1 VAL D 14 ? PHE D 16 ? VAL D 14 PHE D 16 AB4 2 LEU C 2 ? VAL C 9 ? LEU C 4 VAL C 11 AB4 3 CYS D 138 ? TYR D 140 ? CYS D 138 TYR D 140 AB5 1 SER C 14 ? HIS C 16 ? SER C 16 HIS C 18 AB5 2 ASN C 22 ? PRO C 30 ? ASN C 24 PRO C 32 AB5 3 THR C 413 ? GLN C 422 ? THR C 415 GLN C 424 AB6 1 PHE C 78 ? SER C 80 ? PHE C 80 SER C 82 AB6 2 TRP C 49 ? GLY C 53 ? TRP C 51 GLY C 55 AB6 3 GLU C 107 ? TYR C 111 ? GLU C 109 TYR C 113 AB6 4 ILE C 313 ? VAL C 316 ? ILE C 315 VAL C 318 AB6 5 CYS C 340 ? ILE C 343 ? CYS C 342 ILE C 345 AB7 1 GLN C 102 ? CYS C 104 ? GLN C 104 CYS C 106 AB7 2 CYS C 149 ? VAL C 153 ? CYS C 151 VAL C 155 AB7 3 SER C 302 ? PHE C 305 ? SER C 304 PHE C 307 AB7 4 LYS C 219 ? GLN C 223 ? LYS C 221 GLN C 225 AB7 5 SER C 279 ? LEU C 282 ? SER C 281 LEU C 284 AB8 1 ASP C 157 ? ILE C 160 ? ASP C 159 ILE C 162 AB8 2 GLN C 202 ? LEU C 208 ? GLN C 204 LEU C 210 AB8 3 GLY C 285 ? SER C 291 ? GLY C 287 SER C 293 AB8 4 TYR C 244 ? TYR C 248 ? TYR C 246 TYR C 250 AB8 5 LEU C 254 ? ASP C 259 ? LEU C 256 ASP C 261 AB9 1 THR C 166 ? ALA C 167 ? THR C 168 ALA C 169 AB9 2 LEU C 182 ? ALA C 185 ? LEU C 184 ALA C 187 AB9 3 PHE C 295 ? VAL C 298 ? PHE C 297 VAL C 300 AC1 1 SER C 211 ? PHE C 212 ? SER C 213 PHE C 214 AC1 2 TYR C 215 ? LYS C 216 ? TYR C 217 LYS C 218 AC2 1 TYR C 226 ? VAL C 228 ? TYR C 228 VAL C 230 AC2 2 LYS C 274 ? GLU C 276 ? LYS C 276 GLU C 278 AC3 1 TYR C 382 ? THR C 383 ? TYR C 384 THR C 385 AC3 2 CYS C 376 ? SER C 378 ? CYS C 378 SER C 380 AC3 3 LYS C 398 ? ARG C 401 ? LYS C 400 ARG C 403 AC3 4 HIS D 73 ? GLN D 76 ? HIS D 73 GLN D 76 AC4 1 PHE C 389 ? VAL C 390 ? PHE C 391 VAL C 392 AC4 2 LEU C 404 ? LYS C 405 ? LEU C 406 LYS C 407 # 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 GLY B 15 ? O GLY B 15 N GLN A 7 ? N GLN A 9 AA1 2 3 N VAL A 6 ? N VAL A 8 O PHE B 26 ? O PHE B 26 AA1 3 4 N ARG B 29 ? N ARG B 29 O VAL B 39 ? O VAL B 39 AA2 1 2 O GLY B 15 ? O GLY B 15 N GLN A 7 ? N GLN A 9 AA2 2 3 N ILE A 3 ? N ILE A 5 O TRP B 139 ? O TRP B 139 AA3 1 2 N SER A 14 ? N SER A 16 O SER A 25 ? O SER A 27 AA3 2 3 N TYR A 24 ? N TYR A 26 O ILE A 420 ? O ILE A 422 AA4 1 2 O ARG A 79 ? O ARG A 81 N GLY A 51 ? N GLY A 53 AA4 2 3 N PHE A 52 ? N PHE A 54 O TYR A 111 ? O TYR A 113 AA4 3 4 N PHE A 110 ? N PHE A 112 O VAL A 316 ? O VAL A 318 AA4 4 5 N VAL A 315 ? N VAL A 317 O ILE A 341 ? O ILE A 343 AA5 1 2 N GLY A 103 ? N GLY A 105 O MET A 150 ? O MET A 152 AA5 2 3 N THR A 151 ? N THR A 153 O CYS A 304 ? O CYS A 306 AA5 3 4 O PHE A 305 ? O PHE A 307 N LYS A 219 ? N LYS A 221 AA5 4 5 N VAL A 222 ? N VAL A 224 O LYS A 280 ? O LYS A 282 AA6 1 2 N LYS A 159 ? N LYS A 161 O THR A 205 ? O THR A 207 AA6 2 3 N PHE A 206 ? N PHE A 208 O TYR A 287 ? O TYR A 289 AA6 3 4 O LYS A 290 ? O LYS A 292 N ASN A 246 ? N ASN A 248 AA6 4 5 N TYR A 247 ? N TYR A 249 O GLY A 256 ? O GLY A 258 AA7 1 2 N THR A 166 ? N THR A 168 O ALA A 185 ? O ALA A 187 AA7 2 3 N LEU A 182 ? N LEU A 184 O VAL A 298 ? O VAL A 300 AA8 1 2 N PHE A 212 ? N PHE A 214 O TYR A 215 ? O TYR A 217 AA9 1 2 N VAL A 228 ? N VAL A 230 O LYS A 274 ? O LYS A 276 AB1 1 2 O GLY A 381 ? O GLY A 383 N SER A 378 ? N SER A 380 AB1 2 3 N VAL A 377 ? N VAL A 379 O TYR A 399 ? O TYR A 401 AB1 3 4 N LYS A 398 ? N LYS A 400 O GLN B 76 ? O GLN B 76 AB2 1 2 N VAL A 390 ? N VAL A 392 O LEU A 404 ? O LEU A 406 AB3 1 2 O GLY D 15 ? O GLY D 15 N VAL C 9 ? N VAL C 11 AB3 2 3 N CYS C 4 ? N CYS C 6 O GLY D 28 ? O GLY D 28 AB4 1 2 O GLY D 15 ? O GLY D 15 N VAL C 9 ? N VAL C 11 AB4 2 3 N ILE C 3 ? N ILE C 5 O TRP D 139 ? O TRP D 139 AB5 1 2 N HIS C 16 ? N HIS C 18 O VAL C 23 ? O VAL C 25 AB5 2 3 N TYR C 24 ? N TYR C 26 O ILE C 420 ? O ILE C 422 AB6 1 2 O ARG C 79 ? O ARG C 81 N GLY C 51 ? N GLY C 53 AB6 2 3 N PHE C 52 ? N PHE C 54 O TYR C 111 ? O TYR C 113 AB6 3 4 N PHE C 110 ? N PHE C 112 O VAL C 316 ? O VAL C 318 AB6 4 5 N ILE C 313 ? N ILE C 315 O ILE C 341 ? O ILE C 343 AB7 1 2 N GLY C 103 ? N GLY C 105 O MET C 150 ? O MET C 152 AB7 2 3 N THR C 151 ? N THR C 153 O CYS C 304 ? O CYS C 306 AB7 3 4 O PHE C 305 ? O PHE C 307 N LYS C 219 ? N LYS C 221 AB7 4 5 N VAL C 222 ? N VAL C 224 O LYS C 280 ? O LYS C 282 AB8 1 2 N ASP C 157 ? N ASP C 159 O THR C 207 ? O THR C 209 AB8 2 3 N LEU C 208 ? N LEU C 210 O GLY C 285 ? O GLY C 287 AB8 3 4 O SER C 288 ? O SER C 290 N TYR C 248 ? N TYR C 250 AB8 4 5 N TYR C 247 ? N TYR C 249 O ILE C 255 ? O ILE C 257 AB9 1 2 N THR C 166 ? N THR C 168 O ALA C 185 ? O ALA C 187 AB9 2 3 N LEU C 182 ? N LEU C 184 O VAL C 298 ? O VAL C 300 AC1 1 2 N PHE C 212 ? N PHE C 214 O TYR C 215 ? O TYR C 217 AC2 1 2 N VAL C 228 ? N VAL C 230 O LYS C 274 ? O LYS C 276 AC3 1 2 O THR C 383 ? O THR C 385 N CYS C 376 ? N CYS C 378 AC3 2 3 N VAL C 377 ? N VAL C 379 O TYR C 399 ? O TYR C 401 AC3 3 4 N LYS C 398 ? N LYS C 400 O GLN D 76 ? O GLN D 76 AC4 1 2 N VAL C 390 ? N VAL C 392 O LEU C 404 ? O LEU C 406 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A CAC 715 ? 7 'binding site for residue CAC A 715' AC2 Software C CAC 711 ? 5 'binding site for residue CAC C 711' AC3 Software A ASN 12 ? 9 'binding site for Poly-Saccharide residues NAG A 713 through NAG A 714 bound to ASN A 12' AC4 Software A ASN 130 ? 26 'binding site for Poly-Saccharide residues NAG A 701 through MAN A 706 bound to ASN A 130' AC5 Software A ASN 330 ? 16 'binding site for Poly-Saccharide residues NAG A 707 through MAN A 712 bound to ASN A 330' AC6 Software B NAG 703 ? 3 'binding site for Mono-Saccharide NAG B 703 bound to ASN B 58' AC7 Software B ASN 107 ? 11 'binding site for Poly-Saccharide residues NAG B 701 through NAG B 702 bound to ASN B 107' AC8 Software C ASN 12 ? 8 'binding site for Poly-Saccharide residues NAG C 709 through NAG C 710 bound to ASN C 12' AC9 Software C ASN 130 ? 22 'binding site for Poly-Saccharide residues NAG C 701 through MAN C 706 bound to ASN C 130' AD1 Software C ASN 330 ? 13 'binding site for Poly-Saccharide residues NAG C 707 through NAG C 708 bound to ASN C 330' AD2 Software D NAG 703 ? 4 'binding site for Mono-Saccharide NAG D 703 bound to ASN D 58' AD3 Software D ASN 107 ? 12 'binding site for Poly-Saccharide residues NAG D 701 through NAG D 702 bound to ASN D 107' # 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 7 ASP A 54 ? ASP A 56 . ? 1_555 ? 2 AC1 7 SER A 55 ? SER A 57 . ? 1_555 ? 3 AC1 7 SER A 82 ? SER A 84 . ? 1_555 ? 4 AC1 7 GLY A 83 ? GLY A 85 . ? 1_555 ? 5 AC1 7 ASN A 115 ? ASN A 117 . ? 1_555 ? 6 AC1 7 TRP A 320 ? TRP A 322 . ? 1_555 ? 7 AC1 7 HIS A 357 ? HIS A 359 . ? 1_555 ? 8 AC2 5 ASP C 54 ? ASP C 56 . ? 1_555 ? 9 AC2 5 SER C 55 ? SER C 57 . ? 1_555 ? 10 AC2 5 GLY C 83 ? GLY C 85 . ? 1_555 ? 11 AC2 5 ASN C 115 ? ASN C 117 . ? 1_555 ? 12 AC2 5 HIS C 357 ? HIS C 359 . ? 1_555 ? 13 AC3 9 ASN A 10 ? ASN A 12 . ? 1_555 ? 14 AC3 9 GLU A 11 ? GLU A 13 . ? 1_555 ? 15 AC3 9 SER A 12 ? SER A 14 . ? 1_555 ? 16 AC3 9 MET A 26 ? MET A 28 . ? 1_555 ? 17 AC3 9 HOH KA . ? HOH A 804 . ? 1_555 ? 18 AC3 9 HOH KA . ? HOH A 811 . ? 1_555 ? 19 AC3 9 GLY B 19 ? GLY B 19 . ? 1_555 ? 20 AC3 9 GLY B 20 ? GLY B 20 . ? 1_555 ? 21 AC3 9 GLY B 23 ? GLY B 23 . ? 1_555 ? 22 AC4 26 ASN A 128 ? ASN A 130 . ? 1_555 ? 23 AC4 26 GLN A 131 ? GLN A 133 . ? 1_555 ? 24 AC4 26 LYS A 216 ? LYS A 218 . ? 5_555 ? 25 AC4 26 ASN A 218 ? ASN A 220 . ? 5_555 ? 26 AC4 26 ASN A 328 ? ASN A 330 . ? 1_555 ? 27 AC4 26 GLU A 332 ? GLU A 334 . ? 1_555 ? 28 AC4 26 LEU A 335 ? LEU A 337 . ? 1_555 ? 29 AC4 26 GLN A 336 ? GLN A 338 . ? 1_555 ? 30 AC4 26 LYS A 344 ? LYS A 346 . ? 1_555 ? 31 AC4 26 NAG K . ? NAG A 707 . ? 1_555 ? 32 AC4 26 NAG L . ? NAG A 708 . ? 1_555 ? 33 AC4 26 MAN O . ? MAN A 711 . ? 1_555 ? 34 AC4 26 HOH KA . ? HOH A 809 . ? 1_555 ? 35 AC4 26 HOH KA . ? HOH A 810 . ? 1_555 ? 36 AC4 26 HOH KA . ? HOH A 829 . ? 1_555 ? 37 AC4 26 HOH KA . ? HOH A 833 . ? 1_555 ? 38 AC4 26 HOH KA . ? HOH A 851 . ? 1_555 ? 39 AC4 26 HOH KA . ? HOH A 873 . ? 1_555 ? 40 AC4 26 HOH KA . ? HOH A 880 . ? 1_555 ? 41 AC4 26 HOH KA . ? HOH A 888 . ? 1_555 ? 42 AC4 26 HOH KA . ? HOH A 922 . ? 1_555 ? 43 AC4 26 HOH KA . ? HOH A 934 . ? 1_555 ? 44 AC4 26 HOH KA . ? HOH A 942 . ? 1_555 ? 45 AC4 26 HOH KA . ? HOH A 950 . ? 1_555 ? 46 AC4 26 HOH KA . ? HOH A 974 . ? 1_555 ? 47 AC4 26 HOH KA . ? HOH A 975 . ? 1_555 ? 48 AC5 16 ASN A 328 ? ASN A 330 . ? 1_555 ? 49 AC5 16 GLU A 331 ? GLU A 333 . ? 1_555 ? 50 AC5 16 GLU A 332 ? GLU A 334 . ? 1_555 ? 51 AC5 16 LEU A 335 ? LEU A 337 . ? 1_555 ? 52 AC5 16 NAG F . ? NAG A 702 . ? 1_555 ? 53 AC5 16 BMA G . ? BMA A 703 . ? 1_555 ? 54 AC5 16 MAN I . ? MAN A 705 . ? 1_555 ? 55 AC5 16 HOH KA . ? HOH A 810 . ? 1_555 ? 56 AC5 16 HOH KA . ? HOH A 873 . ? 1_555 ? 57 AC5 16 HOH KA . ? HOH A 895 . ? 1_555 ? 58 AC5 16 HOH KA . ? HOH A 899 . ? 1_555 ? 59 AC5 16 HOH KA . ? HOH A 922 . ? 1_555 ? 60 AC5 16 HOH KA . ? HOH A 979 . ? 1_555 ? 61 AC5 16 ASN C 45 ? ASN C 47 . ? 7_454 ? 62 AC5 16 GLN C 46 ? GLN C 48 . ? 7_454 ? 63 AC5 16 LYS C 47 ? LYS C 49 . ? 7_454 ? 64 AC6 3 ASN B 58 ? ASN B 58 . ? 1_555 ? 65 AC6 3 ASN B 61 ? ASN B 61 . ? 1_555 ? 66 AC6 3 GLU B 65 ? GLU B 65 . ? 1_555 ? 67 AC7 11 SER A 17 ? SER A 19 . ? 9_555 ? 68 AC7 11 GLY A 18 ? GLY A 20 . ? 9_555 ? 69 AC7 11 ASN A 22 ? ASN A 24 . ? 9_555 ? 70 AC7 11 GLN A 422 ? GLN A 424 . ? 9_555 ? 71 AC7 11 GLN B 55 ? GLN B 55 . ? 1_555 ? 72 AC7 11 LEU B 56 ? LEU B 56 . ? 1_555 ? 73 AC7 11 ASP B 59 ? ASP B 59 . ? 1_555 ? 74 AC7 11 ASN B 107 ? ASN B 107 . ? 1_555 ? 75 AC7 11 ASN B 111 ? ASN B 111 . ? 1_555 ? 76 AC7 11 HOH LA . ? HOH B 824 . ? 1_555 ? 77 AC7 11 HOH LA . ? HOH B 827 . ? 1_555 ? 78 AC8 8 ASP A 62 ? ASP A 64 . ? 1_555 ? 79 AC8 8 ASN C 10 ? ASN C 12 . ? 1_555 ? 80 AC8 8 SER C 12 ? SER C 14 . ? 1_555 ? 81 AC8 8 MET C 26 ? MET C 28 . ? 1_555 ? 82 AC8 8 HOH MA . ? HOH C 810 . ? 1_555 ? 83 AC8 8 GLY D 19 ? GLY D 19 . ? 1_555 ? 84 AC8 8 ALA D 22 ? ALA D 22 . ? 1_555 ? 85 AC8 8 GLY D 23 ? GLY D 23 . ? 1_555 ? 86 AC9 22 ASN C 128 ? ASN C 130 . ? 1_555 ? 87 AC9 22 GLN C 131 ? GLN C 133 . ? 1_555 ? 88 AC9 22 LYS C 216 ? LYS C 218 . ? 7_454 ? 89 AC9 22 ASN C 218 ? ASN C 220 . ? 7_454 ? 90 AC9 22 ASN C 328 ? ASN C 330 . ? 1_555 ? 91 AC9 22 GLU C 332 ? GLU C 334 . ? 1_555 ? 92 AC9 22 GLN C 336 ? GLN C 338 . ? 1_555 ? 93 AC9 22 LYS C 344 ? LYS C 346 . ? 1_555 ? 94 AC9 22 NAG CA . ? NAG C 707 . ? 1_555 ? 95 AC9 22 NAG DA . ? NAG C 708 . ? 1_555 ? 96 AC9 22 HOH MA . ? HOH C 802 . ? 1_555 ? 97 AC9 22 HOH MA . ? HOH C 809 . ? 1_555 ? 98 AC9 22 HOH MA . ? HOH C 819 . ? 1_555 ? 99 AC9 22 HOH MA . ? HOH C 833 . ? 1_555 ? 100 AC9 22 HOH MA . ? HOH C 847 . ? 1_555 ? 101 AC9 22 HOH MA . ? HOH C 851 . ? 1_555 ? 102 AC9 22 HOH MA . ? HOH C 880 . ? 1_555 ? 103 AC9 22 HOH MA . ? HOH C 920 . ? 1_555 ? 104 AC9 22 HOH MA . ? HOH C 931 . ? 1_555 ? 105 AC9 22 HOH MA . ? HOH C 934 . ? 1_555 ? 106 AC9 22 HOH MA . ? HOH C 943 . ? 1_555 ? 107 AC9 22 HOH MA . ? HOH C 963 . ? 1_555 ? 108 AD1 13 LYS A 47 ? LYS A 49 . ? 5_555 ? 109 AD1 13 ASN C 328 ? ASN C 330 . ? 1_555 ? 110 AD1 13 GLU C 331 ? GLU C 333 . ? 1_555 ? 111 AD1 13 GLU C 332 ? GLU C 334 . ? 1_555 ? 112 AD1 13 LEU C 335 ? LEU C 337 . ? 1_555 ? 113 AD1 13 NAG X . ? NAG C 702 . ? 1_555 ? 114 AD1 13 BMA Y . ? BMA C 703 . ? 1_555 ? 115 AD1 13 MAN Z . ? MAN C 704 . ? 1_555 ? 116 AD1 13 MAN AA . ? MAN C 705 . ? 1_555 ? 117 AD1 13 HOH MA . ? HOH C 803 . ? 1_555 ? 118 AD1 13 HOH MA . ? HOH C 833 . ? 1_555 ? 119 AD1 13 HOH MA . ? HOH C 942 . ? 1_555 ? 120 AD1 13 HOH MA . ? HOH C 943 . ? 1_555 ? 121 AD2 4 ASN D 58 ? ASN D 58 . ? 1_555 ? 122 AD2 4 ASN D 61 ? ASN D 61 . ? 1_555 ? 123 AD2 4 GLU D 65 ? GLU D 65 . ? 1_555 ? 124 AD2 4 HOH NA . ? HOH D 817 . ? 1_555 ? 125 AD3 12 SER C 17 ? SER C 19 . ? 10_554 ? 126 AD3 12 GLY C 18 ? GLY C 20 . ? 10_554 ? 127 AD3 12 PHE C 19 ? PHE C 21 . ? 10_554 ? 128 AD3 12 ASN C 22 ? ASN C 24 . ? 10_554 ? 129 AD3 12 GLN C 422 ? GLN C 424 . ? 10_554 ? 130 AD3 12 GLY C 424 ? GLY C 426 . ? 10_554 ? 131 AD3 12 GLN D 55 ? GLN D 55 . ? 1_555 ? 132 AD3 12 LEU D 56 ? LEU D 56 . ? 1_555 ? 133 AD3 12 ASP D 59 ? ASP D 59 . ? 1_555 ? 134 AD3 12 ASN D 107 ? ASN D 107 . ? 1_555 ? 135 AD3 12 ASN D 111 ? ASN D 111 . ? 1_555 ? 136 AD3 12 HOH NA . ? HOH D 803 . ? 1_555 ? # _atom_sites.entry_id 5E64 _atom_sites.fract_transf_matrix[1][1] 0.006052 _atom_sites.fract_transf_matrix[1][2] 0.000000 _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] 0.006052 _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] 0.006052 _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 AS 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 . GLU A 1 1 ? 22.045 32.963 15.164 1.00 53.17 ? 3 GLU A N 1 ATOM 2 C CA . GLU A 1 1 ? 21.400 32.996 13.855 1.00 53.64 ? 3 GLU A CA 1 ATOM 3 C C . GLU A 1 1 ? 20.790 31.643 13.475 1.00 49.66 ? 3 GLU A C 1 ATOM 4 O O . GLU A 1 1 ? 21.399 30.595 13.691 1.00 45.85 ? 3 GLU A O 1 ATOM 5 C CB . GLU A 1 1 ? 22.393 33.428 12.777 1.00 45.58 ? 3 GLU A CB 1 ATOM 6 C CG . GLU A 1 1 ? 21.782 33.475 11.387 1.00 46.97 ? 3 GLU A CG 1 ATOM 7 C CD . GLU A 1 1 ? 22.785 33.822 10.310 1.00 47.23 ? 3 GLU A CD 1 ATOM 8 O OE1 . GLU A 1 1 ? 22.396 34.500 9.334 1.00 49.69 ? 3 GLU A OE1 1 ATOM 9 O OE2 . GLU A 1 1 ? 23.960 33.417 10.437 1.00 44.74 ? 3 GLU A OE2 1 ATOM 10 N N . LEU A 1 2 ? 19.588 31.684 12.907 1.00 45.93 ? 4 LEU A N 1 ATOM 11 C CA . LEU A 1 2 ? 18.903 30.490 12.427 1.00 49.30 ? 4 LEU A CA 1 ATOM 12 C C . LEU A 1 2 ? 19.175 30.279 10.935 1.00 48.42 ? 4 LEU A C 1 ATOM 13 O O . LEU A 1 2 ? 18.853 31.131 10.104 1.00 46.56 ? 4 LEU A O 1 ATOM 14 C CB . LEU A 1 2 ? 17.399 30.602 12.693 1.00 46.25 ? 4 LEU A CB 1 ATOM 15 C CG . LEU A 1 2 ? 16.440 29.481 12.297 1.00 47.28 ? 4 LEU A CG 1 ATOM 16 C CD1 . LEU A 1 2 ? 16.689 28.223 13.111 1.00 48.34 ? 4 LEU A CD1 1 ATOM 17 C CD2 . LEU A 1 2 ? 15.010 29.955 12.473 1.00 43.61 ? 4 LEU A CD2 1 ATOM 18 N N . ILE A 1 3 ? 19.787 29.148 10.605 1.00 42.73 ? 5 ILE A N 1 ATOM 19 C CA . ILE A 1 3 ? 20.066 28.802 9.216 1.00 44.84 ? 5 ILE A CA 1 ATOM 20 C C . ILE A 1 3 ? 19.249 27.577 8.790 1.00 43.87 ? 5 ILE A C 1 ATOM 21 O O . ILE A 1 3 ? 19.305 26.527 9.430 1.00 39.13 ? 5 ILE A O 1 ATOM 22 C CB . ILE A 1 3 ? 21.567 28.536 8.997 1.00 41.38 ? 5 ILE A CB 1 ATOM 23 C CG1 . ILE A 1 3 ? 22.385 29.758 9.411 1.00 49.23 ? 5 ILE A CG1 1 ATOM 24 C CG2 . ILE A 1 3 ? 21.850 28.178 7.551 1.00 39.84 ? 5 ILE A CG2 1 ATOM 25 C CD1 . ILE A 1 3 ? 23.810 29.736 8.873 1.00 50.14 ? 5 ILE A CD1 1 ATOM 26 N N . CYS A 1 4 ? 18.493 27.719 7.708 1.00 38.22 ? 6 CYS A N 1 ATOM 27 C CA . CYS A 1 4 ? 17.571 26.674 7.289 1.00 37.68 ? 6 CYS A CA 1 ATOM 28 C C . CYS A 1 4 ? 17.649 26.376 5.801 1.00 36.83 ? 6 CYS A C 1 ATOM 29 O O . CYS A 1 4 ? 17.775 27.285 4.980 1.00 34.37 ? 6 CYS A O 1 ATOM 30 C CB . CYS A 1 4 ? 16.129 27.064 7.627 1.00 31.47 ? 6 CYS A CB 1 ATOM 31 S SG . CYS A 1 4 ? 15.721 27.118 9.375 1.00 42.80 ? 6 CYS A SG 1 ATOM 32 N N . ILE A 1 5 ? 17.561 25.096 5.461 1.00 32.70 ? 7 ILE A N 1 ATOM 33 C CA . ILE A 1 5 ? 17.226 24.701 4.102 1.00 36.09 ? 7 ILE A CA 1 ATOM 34 C C . ILE A 1 5 ? 15.764 25.078 3.884 1.00 31.34 ? 7 ILE A C 1 ATOM 35 O O . ILE A 1 5 ? 14.923 24.746 4.707 1.00 32.08 ? 7 ILE A O 1 ATOM 36 C CB . ILE A 1 5 ? 17.434 23.191 3.878 1.00 34.38 ? 7 ILE A CB 1 ATOM 37 C CG1 . ILE A 1 5 ? 18.860 22.796 4.264 1.00 28.67 ? 7 ILE A CG1 1 ATOM 38 C CG2 . ILE A 1 5 ? 17.094 22.803 2.440 1.00 30.62 ? 7 ILE A CG2 1 ATOM 39 C CD1 . ILE A 1 5 ? 19.178 21.339 4.019 1.00 34.18 ? 7 ILE A CD1 1 ATOM 40 N N . VAL A 1 6 ? 15.447 25.791 2.812 1.00 34.28 ? 8 VAL A N 1 ATOM 41 C CA . VAL A 1 6 ? 14.050 26.170 2.603 1.00 34.12 ? 8 VAL A CA 1 ATOM 42 C C . VAL A 1 6 ? 13.450 25.497 1.367 1.00 31.87 ? 8 VAL A C 1 ATOM 43 O O . VAL A 1 6 ? 14.021 25.496 0.277 1.00 29.19 ? 8 VAL A O 1 ATOM 44 C CB . VAL A 1 6 ? 13.871 27.728 2.530 1.00 36.58 ? 8 VAL A CB 1 ATOM 45 C CG1 . VAL A 1 6 ? 15.186 28.429 2.268 1.00 35.43 ? 8 VAL A CG1 1 ATOM 46 C CG2 . VAL A 1 6 ? 12.799 28.137 1.505 1.00 31.69 ? 8 VAL A CG2 1 ATOM 47 N N . GLN A 1 7 ? 12.285 24.899 1.578 1.00 29.25 ? 9 GLN A N 1 ATOM 48 C CA . GLN A 1 7 ? 11.573 24.149 0.546 1.00 31.62 ? 9 GLN A CA 1 ATOM 49 C C . GLN A 1 7 ? 10.453 24.995 -0.055 1.00 27.10 ? 9 GLN A C 1 ATOM 50 O O . GLN A 1 7 ? 9.534 25.395 0.663 1.00 29.99 ? 9 GLN A O 1 ATOM 51 C CB . GLN A 1 7 ? 10.982 22.868 1.138 1.00 22.15 ? 9 GLN A CB 1 ATOM 52 C CG . GLN A 1 7 ? 11.856 21.624 1.035 1.00 35.36 ? 9 GLN A CG 1 ATOM 53 C CD . GLN A 1 7 ? 11.438 20.552 2.032 1.00 24.43 ? 9 GLN A CD 1 ATOM 54 O OE1 . GLN A 1 7 ? 10.438 20.696 2.736 1.00 36.62 ? 9 GLN A OE1 1 ATOM 55 N NE2 . GLN A 1 7 ? 12.154 19.447 2.037 1.00 34.87 ? 9 GLN A NE2 1 ATOM 56 N N . ARG A 1 8 ? 10.500 25.281 -1.354 1.00 34.91 ? 10 ARG A N 1 ATOM 57 C CA . ARG A 1 8 ? 9.391 26.039 -1.937 1.00 37.49 ? 10 ARG A CA 1 ATOM 58 C C . ARG A 1 8 ? 9.006 25.651 -3.364 1.00 32.60 ? 10 ARG A C 1 ATOM 59 O O . ARG A 1 8 ? 9.833 25.193 -4.153 1.00 30.99 ? 10 ARG A O 1 ATOM 60 C CB . ARG A 1 8 ? 9.691 27.539 -1.893 1.00 38.00 ? 10 ARG A CB 1 ATOM 61 C CG . ARG A 1 8 ? 10.898 27.973 -2.681 1.00 40.51 ? 10 ARG A CG 1 ATOM 62 C CD . ARG A 1 8 ? 11.126 29.461 -2.505 1.00 49.01 ? 10 ARG A CD 1 ATOM 63 N NE . ARG A 1 8 ? 12.152 29.963 -3.411 1.00 53.92 ? 10 ARG A NE 1 ATOM 64 C CZ . ARG A 1 8 ? 12.708 31.166 -3.320 1.00 51.13 ? 10 ARG A CZ 1 ATOM 65 N NH1 . ARG A 1 8 ? 12.343 32.003 -2.355 1.00 50.91 ? 10 ARG A NH1 1 ATOM 66 N NH2 . ARG A 1 8 ? 13.637 31.524 -4.192 1.00 46.64 ? 10 ARG A NH2 1 ATOM 67 N N . VAL A 1 9 ? 7.732 25.863 -3.685 1.00 29.09 ? 11 VAL A N 1 ATOM 68 C CA . VAL A 1 9 ? 7.206 25.526 -5.002 1.00 29.61 ? 11 VAL A CA 1 ATOM 69 C C . VAL A 1 9 ? 6.594 26.727 -5.706 1.00 32.73 ? 11 VAL A C 1 ATOM 70 O O . VAL A 1 9 ? 6.195 27.702 -5.065 1.00 28.78 ? 11 VAL A O 1 ATOM 71 C CB . VAL A 1 9 ? 6.139 24.407 -4.922 1.00 25.73 ? 11 VAL A CB 1 ATOM 72 C CG1 . VAL A 1 9 ? 6.785 23.092 -4.513 1.00 18.24 ? 11 VAL A CG1 1 ATOM 73 C CG2 . VAL A 1 9 ? 5.009 24.799 -3.967 1.00 25.29 ? 11 VAL A CG2 1 ATOM 74 N N . ASN A 1 10 ? 6.537 26.620 -7.035 1.00 58.70 ? 12 ASN A N 1 ATOM 75 C CA . ASN A 1 10 ? 5.955 27.614 -7.941 1.00 54.71 ? 12 ASN A CA 1 ATOM 76 C C . ASN A 1 10 ? 4.518 27.296 -8.328 1.00 52.80 ? 12 ASN A C 1 ATOM 77 O O . ASN A 1 10 ? 3.975 26.260 -7.951 1.00 55.71 ? 12 ASN A O 1 ATOM 78 C CB . ASN A 1 10 ? 6.800 27.719 -9.222 1.00 49.35 ? 12 ASN A CB 1 ATOM 79 C CG . ASN A 1 10 ? 7.807 28.824 -9.142 1.00 62.76 ? 12 ASN A CG 1 ATOM 80 O OD1 . ASN A 1 10 ? 7.662 29.705 -8.295 1.00 68.94 ? 12 ASN A OD1 1 ATOM 81 N ND2 . ASN A 1 10 ? 8.835 28.810 -10.003 1.00 64.07 ? 12 ASN A ND2 1 ATOM 82 N N . GLU A 1 11 ? 3.917 28.183 -9.114 1.00 44.87 ? 13 GLU A N 1 ATOM 83 C CA . GLU A 1 11 ? 2.620 27.918 -9.722 1.00 44.06 ? 13 GLU A CA 1 ATOM 84 C C . GLU A 1 11 ? 2.756 26.804 -10.750 1.00 41.55 ? 13 GLU A C 1 ATOM 85 O O . GLU A 1 11 ? 1.767 26.187 -11.150 1.00 39.36 ? 13 GLU A O 1 ATOM 86 C CB . GLU A 1 11 ? 2.059 29.178 -10.385 1.00 48.87 ? 13 GLU A CB 1 ATOM 87 C CG . GLU A 1 11 ? 2.920 29.704 -11.525 1.00 54.10 ? 13 GLU A CG 1 ATOM 88 C CD . GLU A 1 11 ? 2.351 30.953 -12.178 1.00 65.74 ? 13 GLU A CD 1 ATOM 89 O OE1 . GLU A 1 11 ? 1.212 30.891 -12.690 1.00 71.75 ? 13 GLU A OE1 1 ATOM 90 O OE2 . GLU A 1 11 ? 3.045 31.994 -12.185 1.00 68.23 ? 13 GLU A OE2 1 ATOM 91 N N . SER A 1 12 ? 3.993 26.563 -11.174 1.00 35.77 ? 14 SER A N 1 ATOM 92 C CA . SER A 1 12 ? 4.310 25.524 -12.144 1.00 30.54 ? 14 SER A CA 1 ATOM 93 C C . SER A 1 12 ? 4.322 24.135 -11.514 1.00 31.63 ? 14 SER A C 1 ATOM 94 O O . SER A 1 12 ? 4.238 23.130 -12.212 1.00 33.69 ? 14 SER A O 1 ATOM 95 C CB . SER A 1 12 ? 5.664 25.811 -12.786 1.00 32.70 ? 14 SER A CB 1 ATOM 96 O OG . SER A 1 12 ? 5.629 27.036 -13.494 1.00 39.57 ? 14 SER A OG 1 ATOM 97 N N . PHE A 1 13 ? 4.448 24.089 -10.192 1.00 29.38 ? 15 PHE A N 1 ATOM 98 C CA . PHE A 1 13 ? 4.462 22.830 -9.463 1.00 31.49 ? 15 PHE A CA 1 ATOM 99 C C . PHE A 1 13 ? 3.042 22.376 -9.164 1.00 36.68 ? 15 PHE A C 1 ATOM 100 O O . PHE A 1 13 ? 2.215 23.159 -8.688 1.00 36.40 ? 15 PHE A O 1 ATOM 101 C CB . PHE A 1 13 ? 5.233 22.956 -8.146 1.00 30.72 ? 15 PHE A CB 1 ATOM 102 C CG . PHE A 1 13 ? 6.723 22.910 -8.294 1.00 29.57 ? 15 PHE A CG 1 ATOM 103 C CD1 . PHE A 1 13 ? 7.443 24.061 -8.588 1.00 30.56 ? 15 PHE A CD1 1 ATOM 104 C CD2 . PHE A 1 13 ? 7.411 21.727 -8.098 1.00 25.39 ? 15 PHE A CD2 1 ATOM 105 C CE1 . PHE A 1 13 ? 8.819 24.026 -8.703 1.00 29.80 ? 15 PHE A CE1 1 ATOM 106 C CE2 . PHE A 1 13 ? 8.788 21.686 -8.208 1.00 28.48 ? 15 PHE A CE2 1 ATOM 107 C CZ . PHE A 1 13 ? 9.493 22.840 -8.516 1.00 32.16 ? 15 PHE A CZ 1 ATOM 108 N N . SER A 1 14 ? 2.766 21.106 -9.437 1.00 33.74 ? 16 SER A N 1 ATOM 109 C CA . SER A 1 14 ? 1.491 20.518 -9.057 1.00 35.31 ? 16 SER A CA 1 ATOM 110 C C . SER A 1 14 ? 1.731 19.399 -8.046 1.00 32.52 ? 16 SER A C 1 ATOM 111 O O . SER A 1 14 ? 2.827 18.836 -7.970 1.00 28.21 ? 16 SER A O 1 ATOM 112 C CB . SER A 1 14 ? 0.745 20.005 -10.286 1.00 30.86 ? 16 SER A CB 1 ATOM 113 O OG . SER A 1 14 ? 1.649 19.370 -11.170 1.00 45.61 ? 16 SER A OG 1 ATOM 114 N N . LEU A 1 15 ? 0.702 19.107 -7.259 1.00 33.97 ? 17 LEU A N 1 ATOM 115 C CA . LEU A 1 15 ? 0.800 18.168 -6.148 1.00 31.92 ? 17 LEU A CA 1 ATOM 116 C C . LEU A 1 15 ? 0.294 16.775 -6.525 1.00 32.27 ? 17 LEU A C 1 ATOM 117 O O . LEU A 1 15 ? -0.789 16.637 -7.087 1.00 32.57 ? 17 LEU A O 1 ATOM 118 C CB . LEU A 1 15 ? 0.010 18.697 -4.948 1.00 28.60 ? 17 LEU A CB 1 ATOM 119 C CG . LEU A 1 15 ? 0.161 17.928 -3.636 1.00 32.12 ? 17 LEU A CG 1 ATOM 120 C CD1 . LEU A 1 15 ? 1.631 17.826 -3.239 1.00 31.75 ? 17 LEU A CD1 1 ATOM 121 C CD2 . LEU A 1 15 ? -0.647 18.594 -2.533 1.00 34.05 ? 17 LEU A CD2 1 ATOM 122 N N . HIS A 1 16 ? 1.087 15.754 -6.203 1.00 30.93 ? 18 HIS A N 1 ATOM 123 C CA . HIS A 1 16 ? 0.718 14.358 -6.434 1.00 30.01 ? 18 HIS A CA 1 ATOM 124 C C . HIS A 1 16 ? 0.595 13.641 -5.101 1.00 29.02 ? 18 HIS A C 1 ATOM 125 O O . HIS A 1 16 ? 1.472 13.738 -4.241 1.00 29.15 ? 18 HIS A O 1 ATOM 126 C CB . HIS A 1 16 ? 1.748 13.674 -7.333 1.00 26.88 ? 18 HIS A CB 1 ATOM 127 C CG . HIS A 1 16 ? 2.072 14.469 -8.558 1.00 34.84 ? 18 HIS A CG 1 ATOM 128 N ND1 . HIS A 1 16 ? 1.225 14.546 -9.640 1.00 37.92 ? 18 HIS A ND1 1 ATOM 129 C CD2 . HIS A 1 16 ? 3.128 15.269 -8.849 1.00 31.09 ? 18 HIS A CD2 1 ATOM 130 C CE1 . HIS A 1 16 ? 1.751 15.338 -10.556 1.00 39.17 ? 18 HIS A CE1 1 ATOM 131 N NE2 . HIS A 1 16 ? 2.908 15.786 -10.102 1.00 36.45 ? 18 HIS A NE2 1 ATOM 132 N N . SER A 1 17 ? -0.508 12.932 -4.916 1.00 29.70 ? 19 SER A N 1 ATOM 133 C CA . SER A 1 17 ? -0.792 12.336 -3.624 1.00 26.74 ? 19 SER A CA 1 ATOM 134 C C . SER A 1 17 ? -0.261 10.913 -3.537 1.00 24.29 ? 19 SER A C 1 ATOM 135 O O . SER A 1 17 ? -0.220 10.201 -4.531 1.00 22.14 ? 19 SER A O 1 ATOM 136 C CB . SER A 1 17 ? -2.288 12.357 -3.358 1.00 25.68 ? 19 SER A CB 1 ATOM 137 O OG . SER A 1 17 ? -2.968 11.579 -4.316 1.00 32.63 ? 19 SER A OG 1 ATOM 138 N N . GLY A 1 18 ? 0.163 10.508 -2.346 1.00 18.90 ? 20 GLY A N 1 ATOM 139 C CA . GLY A 1 18 ? 0.601 9.145 -2.129 1.00 18.57 ? 20 GLY A CA 1 ATOM 140 C C . GLY A 1 18 ? 0.037 8.639 -0.825 1.00 19.15 ? 20 GLY A C 1 ATOM 141 O O . GLY A 1 18 ? -0.465 9.425 -0.024 1.00 19.13 ? 20 GLY A O 1 ATOM 142 N N . PHE A 1 19 ? 0.090 7.329 -0.620 1.00 22.74 ? 21 PHE A N 1 ATOM 143 C CA . PHE A 1 19 ? -0.270 6.740 0.668 1.00 24.69 ? 21 PHE A CA 1 ATOM 144 C C . PHE A 1 19 ? 0.962 6.736 1.573 1.00 25.02 ? 21 PHE A C 1 ATOM 145 O O . PHE A 1 19 ? 1.749 5.790 1.546 1.00 20.03 ? 21 PHE A O 1 ATOM 146 C CB . PHE A 1 19 ? -0.799 5.313 0.496 1.00 23.42 ? 21 PHE A CB 1 ATOM 147 C CG . PHE A 1 19 ? -2.242 5.232 0.084 1.00 19.69 ? 21 PHE A CG 1 ATOM 148 C CD1 . PHE A 1 19 ? -3.233 5.812 0.857 1.00 20.13 ? 21 PHE A CD1 1 ATOM 149 C CD2 . PHE A 1 19 ? -2.611 4.533 -1.058 1.00 21.88 ? 21 PHE A CD2 1 ATOM 150 C CE1 . PHE A 1 19 ? -4.566 5.722 0.492 1.00 20.75 ? 21 PHE A CE1 1 ATOM 151 C CE2 . PHE A 1 19 ? -3.949 4.436 -1.432 1.00 19.87 ? 21 PHE A CE2 1 ATOM 152 C CZ . PHE A 1 19 ? -4.923 5.038 -0.656 1.00 21.28 ? 21 PHE A CZ 1 ATOM 153 N N . GLY A 1 20 ? 1.141 7.795 2.358 1.00 20.46 ? 22 GLY A N 1 ATOM 154 C CA . GLY A 1 20 ? 2.321 7.907 3.196 1.00 23.09 ? 22 GLY A CA 1 ATOM 155 C C . GLY A 1 20 ? 3.327 8.935 2.694 1.00 30.00 ? 22 GLY A C 1 ATOM 156 O O . GLY A 1 20 ? 4.522 8.825 2.962 1.00 37.46 ? 22 GLY A O 1 ATOM 157 N N . GLY A 1 21 ? 2.845 9.936 1.963 1.00 25.39 ? 23 GLY A N 1 ATOM 158 C CA . GLY A 1 21 ? 3.697 11.001 1.465 1.00 23.76 ? 23 GLY A CA 1 ATOM 159 C C . GLY A 1 21 ? 3.243 11.527 0.121 1.00 23.05 ? 23 GLY A C 1 ATOM 160 O O . GLY A 1 21 ? 2.877 10.758 -0.760 1.00 25.67 ? 23 GLY A O 1 ATOM 161 N N . ASN A 1 22 ? 3.256 12.845 -0.036 1.00 20.60 ? 24 ASN A N 1 ATOM 162 C CA . ASN A 1 22 ? 2.942 13.466 -1.315 1.00 19.50 ? 24 ASN A CA 1 ATOM 163 C C . ASN A 1 22 ? 4.207 13.998 -1.977 1.00 20.77 ? 24 ASN A C 1 ATOM 164 O O . ASN A 1 22 ? 5.262 14.082 -1.342 1.00 18.64 ? 24 ASN A O 1 ATOM 165 C CB . ASN A 1 22 ? 1.926 14.592 -1.132 1.00 19.17 ? 24 ASN A CB 1 ATOM 166 C CG . ASN A 1 22 ? 0.579 14.087 -0.634 1.00 23.19 ? 24 ASN A CG 1 ATOM 167 O OD1 . ASN A 1 22 ? 0.287 12.887 -0.692 1.00 21.25 ? 24 ASN A OD1 1 ATOM 168 N ND2 . ASN A 1 22 ? -0.252 15.002 -0.148 1.00 17.08 ? 24 ASN A ND2 1 ATOM 169 N N . VAL A 1 23 ? 4.091 14.362 -3.251 1.00 22.49 ? 25 VAL A N 1 ATOM 170 C CA . VAL A 1 23 ? 5.220 14.865 -4.032 1.00 23.39 ? 25 VAL A CA 1 ATOM 171 C C . VAL A 1 23 ? 4.815 16.086 -4.867 1.00 25.76 ? 25 VAL A C 1 ATOM 172 O O . VAL A 1 23 ? 3.793 16.053 -5.553 1.00 25.63 ? 25 VAL A O 1 ATOM 173 C CB . VAL A 1 23 ? 5.779 13.769 -4.975 1.00 24.27 ? 25 VAL A CB 1 ATOM 174 C CG1 . VAL A 1 23 ? 6.749 14.363 -5.952 1.00 27.00 ? 25 VAL A CG1 1 ATOM 175 C CG2 . VAL A 1 23 ? 6.434 12.630 -4.181 1.00 20.27 ? 25 VAL A CG2 1 ATOM 176 N N . TYR A 1 24 ? 5.599 17.160 -4.796 1.00 22.51 ? 26 TYR A N 1 ATOM 177 C CA . TYR A 1 24 ? 5.461 18.287 -5.725 1.00 24.03 ? 26 TYR A CA 1 ATOM 178 C C . TYR A 1 24 ? 6.393 18.112 -6.929 1.00 27.54 ? 26 TYR A C 1 ATOM 179 O O . TYR A 1 24 ? 7.578 17.810 -6.760 1.00 19.23 ? 26 TYR A O 1 ATOM 180 C CB . TYR A 1 24 ? 5.772 19.620 -5.035 1.00 25.10 ? 26 TYR A CB 1 ATOM 181 C CG . TYR A 1 24 ? 4.623 20.226 -4.258 1.00 26.88 ? 26 TYR A CG 1 ATOM 182 C CD1 . TYR A 1 24 ? 3.577 20.858 -4.914 1.00 27.11 ? 26 TYR A CD1 1 ATOM 183 C CD2 . TYR A 1 24 ? 4.594 20.180 -2.872 1.00 29.65 ? 26 TYR A CD2 1 ATOM 184 C CE1 . TYR A 1 24 ? 2.533 21.410 -4.222 1.00 26.11 ? 26 TYR A CE1 1 ATOM 185 C CE2 . TYR A 1 24 ? 3.552 20.737 -2.167 1.00 29.76 ? 26 TYR A CE2 1 ATOM 186 C CZ . TYR A 1 24 ? 2.526 21.351 -2.847 1.00 31.23 ? 26 TYR A CZ 1 ATOM 187 O OH . TYR A 1 24 ? 1.479 21.907 -2.150 1.00 42.24 ? 26 TYR A OH 1 ATOM 188 N N . SER A 1 25 ? 5.865 18.308 -8.139 1.00 25.69 ? 27 SER A N 1 ATOM 189 C CA . SER A 1 25 ? 6.697 18.282 -9.347 1.00 22.43 ? 27 SER A CA 1 ATOM 190 C C . SER A 1 25 ? 6.163 19.225 -10.422 1.00 22.14 ? 27 SER A C 1 ATOM 191 O O . SER A 1 25 ? 5.041 19.722 -10.328 1.00 25.22 ? 27 SER A O 1 ATOM 192 C CB . SER A 1 25 ? 6.794 16.861 -9.916 1.00 23.34 ? 27 SER A CB 1 ATOM 193 O OG . SER A 1 25 ? 5.552 16.432 -10.457 1.00 19.57 ? 27 SER A OG 1 ATOM 194 N N . MET A 1 26 ? 6.980 19.467 -11.440 1.00 33.77 ? 28 MET A N 1 ATOM 195 C CA . MET A 1 26 ? 6.595 20.327 -12.552 1.00 39.44 ? 28 MET A CA 1 ATOM 196 C C . MET A 1 26 ? 6.185 19.491 -13.748 1.00 38.26 ? 28 MET A C 1 ATOM 197 O O . MET A 1 26 ? 5.274 19.863 -14.492 1.00 46.00 ? 28 MET A O 1 ATOM 198 C CB . MET A 1 26 ? 7.739 21.267 -12.943 1.00 38.24 ? 28 MET A CB 1 ATOM 199 C CG . MET A 1 26 ? 8.165 22.221 -11.844 1.00 42.28 ? 28 MET A CG 1 ATOM 200 S SD . MET A 1 26 ? 9.237 23.505 -12.489 1.00 46.02 ? 28 MET A SD 1 ATOM 201 C CE . MET A 1 26 ? 10.412 22.518 -13.409 1.00 59.13 ? 28 MET A CE 1 ATOM 202 N N . LYS A 1 27 ? 6.870 18.365 -13.929 1.00 32.57 ? 29 LYS A N 1 ATOM 203 C CA . LYS A 1 27 ? 6.580 17.460 -15.031 1.00 35.37 ? 29 LYS A CA 1 ATOM 204 C C . LYS A 1 27 ? 5.996 16.137 -14.536 1.00 34.04 ? 29 LYS A C 1 ATOM 205 O O . LYS A 1 27 ? 6.179 15.742 -13.382 1.00 32.36 ? 29 LYS A O 1 ATOM 206 C CB . LYS A 1 27 ? 7.841 17.176 -15.848 1.00 37.21 ? 29 LYS A CB 1 ATOM 207 C CG . LYS A 1 27 ? 8.851 18.308 -15.901 1.00 42.38 ? 29 LYS A CG 1 ATOM 208 C CD . LYS A 1 27 ? 10.199 17.800 -16.428 1.00 46.38 ? 29 LYS A CD 1 ATOM 209 C CE . LYS A 1 27 ? 11.287 18.860 -16.289 1.00 53.15 ? 29 LYS A CE 1 ATOM 210 N NZ . LYS A 1 27 ? 12.611 18.384 -16.790 1.00 56.87 ? 29 LYS A NZ 1 ATOM 211 N N . THR A 1 28 ? 5.293 15.459 -15.432 1.00 28.43 ? 30 THR A N 1 ATOM 212 C CA . THR A 1 28 ? 4.793 14.123 -15.178 1.00 28.11 ? 30 THR A CA 1 ATOM 213 C C . THR A 1 28 ? 5.095 13.264 -16.394 1.00 27.62 ? 30 THR A C 1 ATOM 214 O O . THR A 1 28 ? 5.155 13.772 -17.505 1.00 27.09 ? 30 THR A O 1 ATOM 215 C CB . THR A 1 28 ? 3.275 14.114 -14.897 1.00 29.85 ? 30 THR A CB 1 ATOM 216 O OG1 . THR A 1 28 ? 2.569 14.604 -16.045 1.00 37.11 ? 30 THR A OG1 1 ATOM 217 C CG2 . THR A 1 28 ? 2.944 14.991 -13.691 1.00 25.56 ? 30 THR A CG2 1 ATOM 218 N N . GLU A 1 29 ? 5.313 11.972 -16.176 1.00 31.25 ? 31 GLU A N 1 ATOM 219 C CA . GLU A 1 29 ? 5.437 11.012 -17.271 1.00 32.65 ? 31 GLU A CA 1 ATOM 220 C C . GLU A 1 29 ? 4.418 9.909 -17.033 1.00 26.09 ? 31 GLU A C 1 ATOM 221 O O . GLU A 1 29 ? 4.187 9.523 -15.893 1.00 25.50 ? 31 GLU A O 1 ATOM 222 C CB . GLU A 1 29 ? 6.857 10.444 -17.355 1.00 30.05 ? 31 GLU A CB 1 ATOM 223 C CG . GLU A 1 29 ? 7.943 11.518 -17.406 1.00 38.76 ? 31 GLU A CG 1 ATOM 224 C CD . GLU A 1 29 ? 9.352 10.942 -17.448 1.00 50.20 ? 31 GLU A CD 1 ATOM 225 O OE1 . GLU A 1 29 ? 9.495 9.705 -17.558 1.00 51.64 ? 31 GLU A OE1 1 ATOM 226 O OE2 . GLU A 1 29 ? 10.320 11.729 -17.373 1.00 55.86 ? 31 GLU A OE2 1 ATOM 227 N N . PRO A 1 30 ? 3.768 9.429 -18.100 1.00 22.32 ? 32 PRO A N 1 ATOM 228 C CA . PRO A 1 30 ? 2.794 8.350 -17.897 1.00 23.20 ? 32 PRO A CA 1 ATOM 229 C C . PRO A 1 30 ? 3.474 7.084 -17.374 1.00 21.41 ? 32 PRO A C 1 ATOM 230 O O . PRO A 1 30 ? 4.631 6.818 -17.696 1.00 17.96 ? 32 PRO A O 1 ATOM 231 C CB . PRO A 1 30 ? 2.190 8.134 -19.294 1.00 23.45 ? 32 PRO A CB 1 ATOM 232 C CG . PRO A 1 30 ? 3.098 8.840 -20.243 1.00 26.77 ? 32 PRO A CG 1 ATOM 233 C CD . PRO A 1 30 ? 3.791 9.923 -19.485 1.00 22.50 ? 32 PRO A CD 1 ATOM 234 N N . MET A 1 31 ? 2.762 6.325 -16.552 1.00 29.47 ? 33 MET A N 1 ATOM 235 C CA . MET A 1 31 ? 3.351 5.162 -15.894 1.00 32.95 ? 33 MET A CA 1 ATOM 236 C C . MET A 1 31 ? 3.593 4.003 -16.854 1.00 31.65 ? 33 MET A C 1 ATOM 237 O O . MET A 1 31 ? 4.498 3.202 -16.638 1.00 33.80 ? 33 MET A O 1 ATOM 238 C CB . MET A 1 31 ? 2.461 4.697 -14.748 1.00 29.96 ? 33 MET A CB 1 ATOM 239 C CG . MET A 1 31 ? 3.180 4.606 -13.417 1.00 42.02 ? 33 MET A CG 1 ATOM 240 S SD . MET A 1 31 ? 2.079 3.955 -12.153 1.00 41.89 ? 33 MET A SD 1 ATOM 241 C CE . MET A 1 31 ? 0.694 5.000 -12.501 1.00 25.29 ? 33 MET A CE 1 ATOM 242 N N . THR A 1 32 ? 2.769 3.914 -17.896 1.00 23.13 ? 34 THR A N 1 ATOM 243 C CA . THR A 1 32 ? 2.886 2.875 -18.916 1.00 19.85 ? 34 THR A CA 1 ATOM 244 C C . THR A 1 32 ? 2.085 3.286 -20.143 1.00 19.42 ? 34 THR A C 1 ATOM 245 O O . THR A 1 32 ? 1.579 4.402 -20.209 1.00 22.83 ? 34 THR A O 1 ATOM 246 C CB . THR A 1 32 ? 2.400 1.497 -18.410 1.00 24.58 ? 34 THR A CB 1 ATOM 247 O OG1 . THR A 1 32 ? 2.596 0.509 -19.433 1.00 27.96 ? 34 THR A OG1 1 ATOM 248 C CG2 . THR A 1 32 ? 0.919 1.546 -18.040 1.00 25.44 ? 34 THR A CG2 1 ATOM 249 N N . GLY A 1 33 ? 1.961 2.393 -21.119 1.00 26.68 ? 35 GLY A N 1 ATOM 250 C CA . GLY A 1 33 ? 1.399 2.785 -22.400 1.00 25.54 ? 35 GLY A CA 1 ATOM 251 C C . GLY A 1 33 ? 0.803 1.651 -23.203 1.00 28.29 ? 35 GLY A C 1 ATOM 252 O O . GLY A 1 33 ? 0.518 0.586 -22.659 1.00 28.15 ? 35 GLY A O 1 ATOM 253 N N . PHE A 1 34 ? 0.611 1.882 -24.499 1.00 19.78 ? 36 PHE A N 1 ATOM 254 C CA . PHE A 1 34 ? -0.034 0.902 -25.358 1.00 20.92 ? 36 PHE A CA 1 ATOM 255 C C . PHE A 1 34 ? 0.965 -0.011 -26.052 1.00 23.34 ? 36 PHE A C 1 ATOM 256 O O . PHE A 1 34 ? 2.074 0.401 -26.391 1.00 25.41 ? 36 PHE A O 1 ATOM 257 C CB . PHE A 1 34 ? -0.893 1.594 -26.417 1.00 20.69 ? 36 PHE A CB 1 ATOM 258 C CG . PHE A 1 34 ? -1.969 2.484 -25.854 1.00 23.96 ? 36 PHE A CG 1 ATOM 259 C CD1 . PHE A 1 34 ? -2.853 2.013 -24.897 1.00 20.18 ? 36 PHE A CD1 1 ATOM 260 C CD2 . PHE A 1 34 ? -2.099 3.794 -26.296 1.00 21.09 ? 36 PHE A CD2 1 ATOM 261 C CE1 . PHE A 1 34 ? -3.852 2.836 -24.383 1.00 26.55 ? 36 PHE A CE1 1 ATOM 262 C CE2 . PHE A 1 34 ? -3.090 4.617 -25.791 1.00 24.94 ? 36 PHE A CE2 1 ATOM 263 C CZ . PHE A 1 34 ? -3.968 4.142 -24.831 1.00 26.71 ? 36 PHE A CZ 1 ATOM 264 N N . THR A 1 35 ? 0.552 -1.255 -26.272 1.00 25.48 ? 37 THR A N 1 ATOM 265 C CA . THR A 1 35 ? 1.319 -2.199 -27.073 1.00 24.18 ? 37 THR A CA 1 ATOM 266 C C . THR A 1 35 ? 0.841 -2.174 -28.522 1.00 24.17 ? 37 THR A C 1 ATOM 267 O O . THR A 1 35 ? -0.361 -2.267 -28.778 1.00 22.90 ? 37 THR A O 1 ATOM 268 C CB . THR A 1 35 ? 1.197 -3.626 -26.526 1.00 21.93 ? 37 THR A CB 1 ATOM 269 O OG1 . THR A 1 35 ? 1.679 -3.660 -25.174 1.00 25.16 ? 37 THR A OG1 1 ATOM 270 C CG2 . THR A 1 35 ? 1.998 -4.595 -27.395 1.00 22.26 ? 37 THR A CG2 1 ATOM 271 N N . ASN A 1 36 ? 1.773 -2.042 -29.463 1.00 15.86 ? 38 ASN A N 1 ATOM 272 C CA . ASN A 1 36 ? 1.425 -2.042 -30.883 1.00 20.20 ? 38 ASN A CA 1 ATOM 273 C C . ASN A 1 36 ? 0.692 -3.323 -31.261 1.00 19.47 ? 38 ASN A C 1 ATOM 274 O O . ASN A 1 36 ? 0.896 -4.361 -30.629 1.00 20.54 ? 38 ASN A O 1 ATOM 275 C CB . ASN A 1 36 ? 2.683 -1.884 -31.757 1.00 21.73 ? 38 ASN A CB 1 ATOM 276 C CG . ASN A 1 36 ? 3.224 -0.459 -31.773 1.00 29.74 ? 38 ASN A CG 1 ATOM 277 O OD1 . ASN A 1 36 ? 2.637 0.452 -31.185 1.00 27.53 ? 38 ASN A OD1 1 ATOM 278 N ND2 . ASN A 1 36 ? 4.356 -0.263 -32.453 1.00 33.24 ? 38 ASN A ND2 1 ATOM 279 N N . VAL A 1 37 ? -0.161 -3.251 -32.281 1.00 16.53 ? 39 VAL A N 1 ATOM 280 C CA . VAL A 1 37 ? -0.829 -4.434 -32.810 1.00 16.03 ? 39 VAL A CA 1 ATOM 281 C C . VAL A 1 37 ? -0.460 -4.674 -34.280 1.00 19.04 ? 39 VAL A C 1 ATOM 282 O O . VAL A 1 37 ? -0.650 -3.808 -35.129 1.00 20.54 ? 39 VAL A O 1 ATOM 283 C CB . VAL A 1 37 ? -2.357 -4.315 -32.674 1.00 19.01 ? 39 VAL A CB 1 ATOM 284 C CG1 . VAL A 1 37 ? -3.051 -5.615 -33.113 1.00 16.07 ? 39 VAL A CG1 1 ATOM 285 C CG2 . VAL A 1 37 ? -2.719 -3.977 -31.238 1.00 18.20 ? 39 VAL A CG2 1 ATOM 286 N N . THR A 1 38 ? 0.076 -5.855 -34.574 1.00 19.98 ? 40 THR A N 1 ATOM 287 C CA . THR A 1 38 ? 0.485 -6.194 -35.938 1.00 19.82 ? 40 THR A CA 1 ATOM 288 C C . THR A 1 38 ? -0.552 -7.058 -36.660 1.00 20.70 ? 40 THR A C 1 ATOM 289 O O . THR A 1 38 ? -0.945 -8.116 -36.158 1.00 18.48 ? 40 THR A O 1 ATOM 290 C CB . THR A 1 38 ? 1.826 -6.941 -35.944 1.00 21.15 ? 40 THR A CB 1 ATOM 291 O OG1 . THR A 1 38 ? 2.770 -6.213 -35.154 1.00 19.48 ? 40 THR A OG1 1 ATOM 292 C CG2 . THR A 1 38 ? 2.352 -7.113 -37.381 1.00 15.32 ? 40 THR A CG2 1 ATOM 293 N N . LYS A 1 39 ? -0.995 -6.599 -37.828 1.00 20.88 ? 41 LYS A N 1 ATOM 294 C CA . LYS A 1 39 ? -1.931 -7.371 -38.647 1.00 23.92 ? 41 LYS A CA 1 ATOM 295 C C . LYS A 1 39 ? -1.328 -8.682 -39.127 1.00 23.84 ? 41 LYS A C 1 ATOM 296 O O . LYS A 1 39 ? -0.121 -8.784 -39.340 1.00 27.33 ? 41 LYS A O 1 ATOM 297 C CB . LYS A 1 39 ? -2.391 -6.564 -39.855 1.00 22.18 ? 41 LYS A CB 1 ATOM 298 C CG . LYS A 1 39 ? -3.396 -5.492 -39.523 1.00 30.45 ? 41 LYS A CG 1 ATOM 299 C CD . LYS A 1 39 ? -3.989 -4.898 -40.773 1.00 34.89 ? 41 LYS A CD 1 ATOM 300 C CE . LYS A 1 39 ? -5.227 -4.089 -40.424 1.00 48.70 ? 41 LYS A CE 1 ATOM 301 N NZ . LYS A 1 39 ? -4.989 -3.209 -39.243 1.00 50.64 ? 41 LYS A NZ 1 ATOM 302 N N . GLY A 1 40 ? -2.179 -9.681 -39.304 1.00 20.13 ? 42 GLY A N 1 ATOM 303 C CA . GLY A 1 40 ? -1.742 -10.939 -39.867 1.00 24.14 ? 42 GLY A CA 1 ATOM 304 C C . GLY A 1 40 ? -1.834 -12.102 -38.904 1.00 23.07 ? 42 GLY A C 1 ATOM 305 O O . GLY A 1 40 ? -2.546 -12.043 -37.904 1.00 21.06 ? 42 GLY A O 1 ATOM 306 N N . ALA A 1 41 ? -1.086 -13.155 -39.208 1.00 16.33 ? 43 ALA A N 1 ATOM 307 C CA . ALA A 1 41 ? -1.168 -14.408 -38.472 1.00 17.47 ? 43 ALA A CA 1 ATOM 308 C C . ALA A 1 41 ? 0.066 -14.646 -37.612 1.00 16.54 ? 43 ALA A C 1 ATOM 309 O O . ALA A 1 41 ? 1.156 -14.195 -37.933 1.00 14.26 ? 43 ALA A O 1 ATOM 310 C CB . ALA A 1 41 ? -1.361 -15.562 -39.439 1.00 19.79 ? 43 ALA A CB 1 ATOM 311 N N . SER A 1 42 ? -0.106 -15.359 -36.510 1.00 19.13 ? 44 SER A N 1 ATOM 312 C CA . SER A 1 42 ? 1.033 -15.692 -35.669 1.00 17.50 ? 44 SER A CA 1 ATOM 313 C C . SER A 1 42 ? 0.626 -16.805 -34.710 1.00 18.47 ? 44 SER A C 1 ATOM 314 O O . SER A 1 42 ? -0.478 -17.349 -34.818 1.00 18.82 ? 44 SER A O 1 ATOM 315 C CB . SER A 1 42 ? 1.523 -14.451 -34.916 1.00 16.96 ? 44 SER A CB 1 ATOM 316 O OG . SER A 1 42 ? 2.775 -14.672 -34.303 1.00 17.67 ? 44 SER A OG 1 ATOM 317 N N . VAL A 1 43 ? 1.516 -17.151 -33.786 1.00 12.71 ? 45 VAL A N 1 ATOM 318 C CA . VAL A 1 43 ? 1.234 -18.180 -32.801 1.00 12.59 ? 45 VAL A CA 1 ATOM 319 C C . VAL A 1 43 ? 1.834 -17.787 -31.455 1.00 15.04 ? 45 VAL A C 1 ATOM 320 O O . VAL A 1 43 ? 2.847 -17.089 -31.395 1.00 15.52 ? 45 VAL A O 1 ATOM 321 C CB . VAL A 1 43 ? 1.777 -19.569 -33.232 1.00 13.08 ? 45 VAL A CB 1 ATOM 322 C CG1 . VAL A 1 43 ? 0.980 -20.128 -34.404 1.00 12.44 ? 45 VAL A CG1 1 ATOM 323 C CG2 . VAL A 1 43 ? 3.271 -19.503 -33.551 1.00 13.17 ? 45 VAL A CG2 1 ATOM 324 N N . ILE A 1 44 ? 1.202 -18.220 -30.372 1.00 15.27 ? 46 ILE A N 1 ATOM 325 C CA . ILE A 1 44 ? 1.711 -17.903 -29.040 1.00 19.41 ? 46 ILE A CA 1 ATOM 326 C C . ILE A 1 44 ? 2.643 -18.994 -28.530 1.00 18.32 ? 46 ILE A C 1 ATOM 327 O O . ILE A 1 44 ? 3.359 -18.790 -27.557 1.00 21.58 ? 46 ILE A O 1 ATOM 328 C CB . ILE A 1 44 ? 0.575 -17.698 -28.025 1.00 16.33 ? 46 ILE A CB 1 ATOM 329 C CG1 . ILE A 1 44 ? -0.206 -19.003 -27.821 1.00 16.13 ? 46 ILE A CG1 1 ATOM 330 C CG2 . ILE A 1 44 ? -0.346 -16.561 -28.483 1.00 14.82 ? 46 ILE A CG2 1 ATOM 331 C CD1 . ILE A 1 44 ? -1.268 -18.921 -26.723 1.00 12.30 ? 46 ILE A CD1 1 ATOM 332 N N . ASN A 1 45 ? 2.637 -20.143 -29.203 1.00 20.33 ? 47 ASN A N 1 ATOM 333 C CA . ASN A 1 45 ? 3.478 -21.274 -28.821 1.00 20.16 ? 47 ASN A CA 1 ATOM 334 C C . ASN A 1 45 ? 4.025 -22.017 -30.046 1.00 22.27 ? 47 ASN A C 1 ATOM 335 O O . ASN A 1 45 ? 3.327 -22.827 -30.654 1.00 19.42 ? 47 ASN A O 1 ATOM 336 C CB . ASN A 1 45 ? 2.692 -22.231 -27.919 1.00 21.24 ? 47 ASN A CB 1 ATOM 337 C CG . ASN A 1 45 ? 3.562 -23.363 -27.352 1.00 24.32 ? 47 ASN A CG 1 ATOM 338 O OD1 . ASN A 1 45 ? 4.747 -23.476 -27.661 1.00 25.94 ? 47 ASN A OD1 1 ATOM 339 N ND2 . ASN A 1 45 ? 2.968 -24.189 -26.502 1.00 21.04 ? 47 ASN A ND2 1 ATOM 340 N N . GLN A 1 46 ? 5.284 -21.740 -30.386 1.00 22.63 ? 48 GLN A N 1 ATOM 341 C CA . GLN A 1 46 ? 5.928 -22.308 -31.571 1.00 20.22 ? 48 GLN A CA 1 ATOM 342 C C . GLN A 1 46 ? 6.054 -23.830 -31.544 1.00 25.86 ? 48 GLN A C 1 ATOM 343 O O . GLN A 1 46 ? 6.256 -24.454 -32.581 1.00 24.35 ? 48 GLN A O 1 ATOM 344 C CB . GLN A 1 46 ? 7.322 -21.701 -31.751 1.00 20.77 ? 48 GLN A CB 1 ATOM 345 C CG . GLN A 1 46 ? 7.323 -20.327 -32.371 1.00 22.38 ? 48 GLN A CG 1 ATOM 346 C CD . GLN A 1 46 ? 6.954 -20.358 -33.842 1.00 23.69 ? 48 GLN A CD 1 ATOM 347 O OE1 . GLN A 1 46 ? 6.877 -21.428 -34.459 1.00 24.81 ? 48 GLN A OE1 1 ATOM 348 N NE2 . GLN A 1 46 ? 6.719 -19.181 -34.414 1.00 19.02 ? 48 GLN A NE2 1 ATOM 349 N N . LYS A 1 47 ? 5.940 -24.420 -30.359 1.00 33.59 ? 49 LYS A N 1 ATOM 350 C CA . LYS A 1 47 ? 6.079 -25.864 -30.207 1.00 31.77 ? 49 LYS A CA 1 ATOM 351 C C . LYS A 1 47 ? 4.747 -26.620 -30.276 1.00 34.81 ? 49 LYS A C 1 ATOM 352 O O . LYS A 1 47 ? 4.726 -27.835 -30.116 1.00 41.09 ? 49 LYS A O 1 ATOM 353 C CB . LYS A 1 47 ? 6.779 -26.183 -28.879 1.00 34.45 ? 49 LYS A CB 1 ATOM 354 C CG . LYS A 1 47 ? 8.197 -25.630 -28.772 1.00 43.42 ? 49 LYS A CG 1 ATOM 355 C CD . LYS A 1 47 ? 8.751 -25.732 -27.345 1.00 43.75 ? 49 LYS A CD 1 ATOM 356 C CE . LYS A 1 47 ? 8.457 -24.474 -26.521 1.00 56.24 ? 49 LYS A CE 1 ATOM 357 N NZ . LYS A 1 47 ? 7.037 -24.367 -26.055 1.00 48.62 ? 49 LYS A NZ 1 ATOM 358 N N . ASP A 1 48 ? 3.634 -25.925 -30.507 1.00 27.52 ? 50 ASP A N 1 ATOM 359 C CA . ASP A 1 48 ? 2.349 -26.621 -30.599 1.00 24.30 ? 50 ASP A CA 1 ATOM 360 C C . ASP A 1 48 ? 1.402 -25.982 -31.617 1.00 24.30 ? 50 ASP A C 1 ATOM 361 O O . ASP A 1 48 ? 0.299 -25.532 -31.269 1.00 19.11 ? 50 ASP A O 1 ATOM 362 C CB . ASP A 1 48 ? 1.671 -26.680 -29.220 1.00 26.87 ? 50 ASP A CB 1 ATOM 363 C CG . ASP A 1 48 ? 0.578 -27.748 -29.141 1.00 32.47 ? 50 ASP A CG 1 ATOM 364 O OD1 . ASP A 1 48 ? 0.116 -28.237 -30.196 1.00 32.74 ? 50 ASP A OD1 1 ATOM 365 O OD2 . ASP A 1 48 ? 0.173 -28.102 -28.014 1.00 41.30 ? 50 ASP A OD2 1 ATOM 366 N N . TRP A 1 49 ? 1.822 -25.947 -32.878 1.00 19.16 ? 51 TRP A N 1 ATOM 367 C CA . TRP A 1 49 ? 0.924 -25.487 -33.927 1.00 17.23 ? 51 TRP A CA 1 ATOM 368 C C . TRP A 1 49 ? 1.137 -26.257 -35.215 1.00 16.96 ? 51 TRP A C 1 ATOM 369 O O . TRP A 1 49 ? 2.195 -26.833 -35.444 1.00 17.32 ? 51 TRP A O 1 ATOM 370 C CB . TRP A 1 49 ? 1.072 -23.970 -34.171 1.00 16.08 ? 51 TRP A CB 1 ATOM 371 C CG . TRP A 1 49 ? 2.320 -23.484 -34.879 1.00 14.98 ? 51 TRP A CG 1 ATOM 372 C CD1 . TRP A 1 49 ? 3.538 -23.257 -34.324 1.00 18.84 ? 51 TRP A CD1 1 ATOM 373 C CD2 . TRP A 1 49 ? 2.441 -23.123 -36.266 1.00 16.09 ? 51 TRP A CD2 1 ATOM 374 N NE1 . TRP A 1 49 ? 4.419 -22.787 -35.274 1.00 18.65 ? 51 TRP A NE1 1 ATOM 375 C CE2 . TRP A 1 49 ? 3.767 -22.693 -36.473 1.00 15.44 ? 51 TRP A CE2 1 ATOM 376 C CE3 . TRP A 1 49 ? 1.556 -23.124 -37.351 1.00 16.88 ? 51 TRP A CE3 1 ATOM 377 C CZ2 . TRP A 1 49 ? 4.234 -22.275 -37.718 1.00 17.54 ? 51 TRP A CZ2 1 ATOM 378 C CZ3 . TRP A 1 49 ? 2.022 -22.706 -38.592 1.00 16.19 ? 51 TRP A CZ3 1 ATOM 379 C CH2 . TRP A 1 49 ? 3.348 -22.287 -38.764 1.00 18.66 ? 51 TRP A CH2 1 ATOM 380 N N . ILE A 1 50 ? 0.111 -26.257 -36.053 1.00 23.86 ? 52 ILE A N 1 ATOM 381 C CA . ILE A 1 50 ? 0.141 -26.983 -37.309 1.00 26.18 ? 52 ILE A CA 1 ATOM 382 C C . ILE A 1 50 ? -0.480 -26.128 -38.408 1.00 28.13 ? 52 ILE A C 1 ATOM 383 O O . ILE A 1 50 ? -1.498 -25.472 -38.196 1.00 25.90 ? 52 ILE A O 1 ATOM 384 C CB . ILE A 1 50 ? -0.610 -28.331 -37.195 1.00 22.51 ? 52 ILE A CB 1 ATOM 385 C CG1 . ILE A 1 50 ? -0.481 -29.145 -38.484 1.00 24.30 ? 52 ILE A CG1 1 ATOM 386 C CG2 . ILE A 1 50 ? -2.068 -28.106 -36.846 1.00 22.12 ? 52 ILE A CG2 1 ATOM 387 C CD1 . ILE A 1 50 ? 0.824 -29.900 -38.606 1.00 28.87 ? 52 ILE A CD1 1 ATOM 388 N N . GLY A 1 51 ? 0.149 -26.124 -39.578 1.00 25.75 ? 53 GLY A N 1 ATOM 389 C CA . GLY A 1 51 ? -0.403 -25.441 -40.731 1.00 21.37 ? 53 GLY A CA 1 ATOM 390 C C . GLY A 1 51 ? -0.840 -26.444 -41.784 1.00 22.49 ? 53 GLY A C 1 ATOM 391 O O . GLY A 1 51 ? -0.223 -27.501 -41.931 1.00 24.69 ? 53 GLY A O 1 ATOM 392 N N . PHE A 1 52 ? -1.921 -26.123 -42.493 1.00 17.75 ? 54 PHE A N 1 ATOM 393 C CA . PHE A 1 52 ? -2.379 -26.903 -43.641 1.00 15.59 ? 54 PHE A CA 1 ATOM 394 C C . PHE A 1 52 ? -2.446 -25.977 -44.854 1.00 20.66 ? 54 PHE A C 1 ATOM 395 O O . PHE A 1 52 ? -3.054 -24.908 -44.781 1.00 20.35 ? 54 PHE A O 1 ATOM 396 C CB . PHE A 1 52 ? -3.749 -27.545 -43.378 1.00 15.29 ? 54 PHE A CB 1 ATOM 397 C CG . PHE A 1 52 ? -3.799 -28.395 -42.135 1.00 18.29 ? 54 PHE A CG 1 ATOM 398 C CD1 . PHE A 1 52 ? -3.196 -29.647 -42.103 1.00 18.34 ? 54 PHE A CD1 1 ATOM 399 C CD2 . PHE A 1 52 ? -4.458 -27.948 -41.001 1.00 16.73 ? 54 PHE A CD2 1 ATOM 400 C CE1 . PHE A 1 52 ? -3.245 -30.437 -40.955 1.00 14.97 ? 54 PHE A CE1 1 ATOM 401 C CE2 . PHE A 1 52 ? -4.510 -28.732 -39.854 1.00 14.47 ? 54 PHE A CE2 1 ATOM 402 C CZ . PHE A 1 52 ? -3.894 -29.975 -39.835 1.00 13.04 ? 54 PHE A CZ 1 ATOM 403 N N . GLY A 1 53 ? -1.836 -26.374 -45.968 1.00 20.92 ? 55 GLY A N 1 ATOM 404 C CA . GLY A 1 53 ? -1.643 -25.443 -47.063 1.00 22.35 ? 55 GLY A CA 1 ATOM 405 C C . GLY A 1 53 ? -1.550 -26.062 -48.441 1.00 24.25 ? 55 GLY A C 1 ATOM 406 O O . GLY A 1 53 ? -1.897 -27.229 -48.630 1.00 25.38 ? 55 GLY A O 1 ATOM 407 N N . ASP A 1 54 ? -1.114 -25.262 -49.413 1.00 16.06 ? 56 ASP A N 1 ATOM 408 C CA . ASP A 1 54 ? -0.932 -25.737 -50.780 1.00 18.28 ? 56 ASP A CA 1 ATOM 409 C C . ASP A 1 54 ? 0.457 -25.347 -51.307 1.00 21.11 ? 56 ASP A C 1 ATOM 410 O O . ASP A 1 54 ? 1.430 -25.349 -50.543 1.00 19.54 ? 56 ASP A O 1 ATOM 411 C CB . ASP A 1 54 ? -2.049 -25.204 -51.688 1.00 18.32 ? 56 ASP A CB 1 ATOM 412 C CG . ASP A 1 54 ? -2.311 -23.707 -51.505 1.00 20.35 ? 56 ASP A CG 1 ATOM 413 O OD1 . ASP A 1 54 ? -3.474 -23.285 -51.705 1.00 18.51 ? 56 ASP A OD1 1 ATOM 414 O OD2 . ASP A 1 54 ? -1.363 -22.955 -51.179 1.00 15.38 ? 56 ASP A OD2 1 ATOM 415 N N . SER A 1 55 ? 0.560 -25.018 -52.596 1.00 20.99 ? 57 SER A N 1 ATOM 416 C CA . SER A 1 55 ? 1.864 -24.684 -53.190 1.00 24.48 ? 57 SER A CA 1 ATOM 417 C C . SER A 1 55 ? 2.526 -23.488 -52.506 1.00 24.73 ? 57 SER A C 1 ATOM 418 O O . SER A 1 55 ? 3.756 -23.407 -52.432 1.00 23.91 ? 57 SER A O 1 ATOM 419 C CB . SER A 1 55 ? 1.735 -24.409 -54.700 1.00 22.68 ? 57 SER A CB 1 ATOM 420 O OG . SER A 1 55 ? 0.754 -23.421 -54.987 1.00 31.02 ? 57 SER A OG 1 ATOM 421 N N . ARG A 1 56 ? 1.702 -22.582 -51.985 1.00 21.53 ? 58 ARG A N 1 ATOM 422 C CA . ARG A 1 56 ? 2.185 -21.333 -51.405 1.00 22.37 ? 58 ARG A CA 1 ATOM 423 C C . ARG A 1 56 ? 2.860 -21.538 -50.046 1.00 22.36 ? 58 ARG A C 1 ATOM 424 O O . ARG A 1 56 ? 3.374 -20.589 -49.456 1.00 20.83 ? 58 ARG A O 1 ATOM 425 C CB . ARG A 1 56 ? 1.030 -20.332 -51.277 1.00 21.07 ? 58 ARG A CB 1 ATOM 426 C CG . ARG A 1 56 ? 0.628 -19.673 -52.595 1.00 23.05 ? 58 ARG A CG 1 ATOM 427 C CD . ARG A 1 56 ? -0.862 -19.337 -52.648 1.00 23.14 ? 58 ARG A CD 1 ATOM 428 N NE . ARG A 1 56 ? -1.195 -18.452 -53.764 1.00 23.37 ? 58 ARG A NE 1 ATOM 429 C CZ . ARG A 1 56 ? -2.409 -17.956 -53.992 1.00 24.15 ? 58 ARG A CZ 1 ATOM 430 N NH1 . ARG A 1 56 ? -3.416 -18.258 -53.184 1.00 23.80 ? 58 ARG A NH1 1 ATOM 431 N NH2 . ARG A 1 56 ? -2.620 -17.157 -55.027 1.00 22.67 ? 58 ARG A NH2 1 ATOM 432 N N . THR A 1 57 ? 2.844 -22.777 -49.556 1.00 21.67 ? 59 THR A N 1 ATOM 433 C CA . THR A 1 57 ? 3.602 -23.155 -48.365 1.00 27.00 ? 59 THR A CA 1 ATOM 434 C C . THR A 1 57 ? 4.297 -24.506 -48.574 1.00 29.34 ? 59 THR A C 1 ATOM 435 O O . THR A 1 57 ? 4.684 -25.171 -47.609 1.00 28.25 ? 59 THR A O 1 ATOM 436 C CB . THR A 1 57 ? 2.702 -23.245 -47.107 1.00 23.84 ? 59 THR A CB 1 ATOM 437 O OG1 . THR A 1 57 ? 1.545 -24.028 -47.407 1.00 20.60 ? 59 THR A OG1 1 ATOM 438 C CG2 . THR A 1 57 ? 2.260 -21.853 -46.645 1.00 26.24 ? 59 THR A CG2 1 ATOM 439 N N . ASP A 1 58 ? 4.434 -24.914 -49.834 1.00 23.96 ? 60 ASP A N 1 ATOM 440 C CA . ASP A 1 58 ? 5.054 -26.199 -50.170 1.00 26.46 ? 60 ASP A CA 1 ATOM 441 C C . ASP A 1 58 ? 6.545 -26.028 -50.466 1.00 22.80 ? 60 ASP A C 1 ATOM 442 O O . ASP A 1 58 ? 6.921 -25.530 -51.522 1.00 22.71 ? 60 ASP A O 1 ATOM 443 C CB . ASP A 1 58 ? 4.339 -26.836 -51.375 1.00 24.18 ? 60 ASP A CB 1 ATOM 444 C CG . ASP A 1 58 ? 4.870 -28.228 -51.723 1.00 26.44 ? 60 ASP A CG 1 ATOM 445 O OD1 . ASP A 1 58 ? 5.862 -28.692 -51.113 1.00 26.94 ? 60 ASP A OD1 1 ATOM 446 O OD2 . ASP A 1 58 ? 4.290 -28.860 -52.632 1.00 28.60 ? 60 ASP A OD2 1 ATOM 447 N N . LEU A 1 59 ? 7.393 -26.459 -49.539 1.00 25.49 ? 61 LEU A N 1 ATOM 448 C CA . LEU A 1 59 ? 8.841 -26.332 -49.729 1.00 27.56 ? 61 LEU A CA 1 ATOM 449 C C . LEU A 1 59 ? 9.401 -27.295 -50.804 1.00 27.11 ? 61 LEU A C 1 ATOM 450 O O . LEU A 1 59 ? 10.536 -27.125 -51.251 1.00 26.23 ? 61 LEU A O 1 ATOM 451 C CB . LEU A 1 59 ? 9.573 -26.535 -48.394 1.00 22.10 ? 61 LEU A CB 1 ATOM 452 C CG . LEU A 1 59 ? 9.557 -27.892 -47.675 1.00 23.50 ? 61 LEU A CG 1 ATOM 453 C CD1 . LEU A 1 59 ? 10.783 -28.723 -48.065 1.00 24.36 ? 61 LEU A CD1 1 ATOM 454 C CD2 . LEU A 1 59 ? 9.484 -27.710 -46.156 1.00 17.68 ? 61 LEU A CD2 1 ATOM 455 N N . THR A 1 60 ? 8.618 -28.288 -51.223 1.00 17.63 ? 62 THR A N 1 ATOM 456 C CA . THR A 1 60 ? 9.068 -29.183 -52.294 1.00 23.84 ? 62 THR A CA 1 ATOM 457 C C . THR A 1 60 ? 8.781 -28.630 -53.701 1.00 25.08 ? 62 THR A C 1 ATOM 458 O O . THR A 1 60 ? 9.150 -29.246 -54.696 1.00 31.06 ? 62 THR A O 1 ATOM 459 C CB . THR A 1 60 ? 8.430 -30.588 -52.178 1.00 21.80 ? 62 THR A CB 1 ATOM 460 O OG1 . THR A 1 60 ? 7.012 -30.498 -52.370 1.00 22.90 ? 62 THR A OG1 1 ATOM 461 C CG2 . THR A 1 60 ? 8.729 -31.214 -50.810 1.00 18.52 ? 62 THR A CG2 1 ATOM 462 N N . ASN A 1 61 ? 8.128 -27.474 -53.777 1.00 31.01 ? 63 ASN A N 1 ATOM 463 C CA . ASN A 1 61 ? 7.870 -26.806 -55.054 1.00 28.04 ? 63 ASN A CA 1 ATOM 464 C C . ASN A 1 61 ? 9.183 -26.456 -55.743 1.00 32.09 ? 63 ASN A C 1 ATOM 465 O O . ASN A 1 61 ? 10.119 -25.987 -55.092 1.00 30.07 ? 63 ASN A O 1 ATOM 466 C CB . ASN A 1 61 ? 7.034 -25.543 -54.834 1.00 27.51 ? 63 ASN A CB 1 ATOM 467 C CG . ASN A 1 61 ? 6.465 -24.976 -56.121 1.00 29.67 ? 63 ASN A CG 1 ATOM 468 O OD1 . ASN A 1 61 ? 7.165 -24.320 -56.893 1.00 28.06 ? 63 ASN A OD1 1 ATOM 469 N ND2 . ASN A 1 61 ? 5.174 -25.212 -56.348 1.00 30.16 ? 63 ASN A ND2 1 ATOM 470 N N . ASP A 1 62 ? 9.255 -26.675 -57.055 1.00 41.95 ? 64 ASP A N 1 ATOM 471 C CA . ASP A 1 62 ? 10.491 -26.428 -57.806 1.00 39.57 ? 64 ASP A CA 1 ATOM 472 C C . ASP A 1 62 ? 10.932 -24.967 -57.767 1.00 39.77 ? 64 ASP A C 1 ATOM 473 O O . ASP A 1 62 ? 12.114 -24.670 -57.920 1.00 38.66 ? 64 ASP A O 1 ATOM 474 C CB . ASP A 1 62 ? 10.332 -26.868 -59.260 1.00 45.69 ? 64 ASP A CB 1 ATOM 475 C CG . ASP A 1 62 ? 10.144 -28.367 -59.397 1.00 58.33 ? 64 ASP A CG 1 ATOM 476 O OD1 . ASP A 1 62 ? 10.649 -29.109 -58.520 1.00 56.59 ? 64 ASP A OD1 1 ATOM 477 O OD2 . ASP A 1 62 ? 9.499 -28.802 -60.381 1.00 61.00 ? 64 ASP A OD2 1 ATOM 478 N N . GLN A 1 63 ? 9.985 -24.055 -57.550 1.00 32.61 ? 65 GLN A N 1 ATOM 479 C CA . GLN A 1 63 ? 10.298 -22.631 -57.561 1.00 31.81 ? 65 GLN A CA 1 ATOM 480 C C . GLN A 1 63 ? 10.482 -22.048 -56.160 1.00 26.87 ? 65 GLN A C 1 ATOM 481 O O . GLN A 1 63 ? 10.599 -20.833 -56.002 1.00 28.80 ? 65 GLN A O 1 ATOM 482 C CB . GLN A 1 63 ? 9.209 -21.855 -58.303 1.00 29.89 ? 65 GLN A CB 1 ATOM 483 C CG . GLN A 1 63 ? 8.820 -22.459 -59.634 1.00 33.77 ? 65 GLN A CG 1 ATOM 484 C CD . GLN A 1 63 ? 8.161 -21.454 -60.557 1.00 44.00 ? 65 GLN A CD 1 ATOM 485 O OE1 . GLN A 1 63 ? 8.764 -20.449 -60.951 1.00 39.29 ? 65 GLN A OE1 1 ATOM 486 N NE2 . GLN A 1 63 ? 6.899 -21.705 -60.882 1.00 40.09 ? 65 GLN A NE2 1 ATOM 487 N N . PHE A 1 64 ? 10.497 -22.910 -55.149 1.00 26.71 ? 66 PHE A N 1 ATOM 488 C CA . PHE A 1 64 ? 10.728 -22.479 -53.768 1.00 23.66 ? 66 PHE A CA 1 ATOM 489 C C . PHE A 1 64 ? 12.114 -21.852 -53.650 1.00 27.59 ? 66 PHE A C 1 ATOM 490 O O . PHE A 1 64 ? 13.069 -22.355 -54.239 1.00 28.98 ? 66 PHE A O 1 ATOM 491 C CB . PHE A 1 64 ? 10.580 -23.673 -52.822 1.00 24.96 ? 66 PHE A CB 1 ATOM 492 C CG . PHE A 1 64 ? 10.601 -23.315 -51.367 1.00 25.68 ? 66 PHE A CG 1 ATOM 493 C CD1 . PHE A 1 64 ? 9.420 -23.033 -50.695 1.00 22.01 ? 66 PHE A CD1 1 ATOM 494 C CD2 . PHE A 1 64 ? 11.796 -23.296 -50.659 1.00 22.85 ? 66 PHE A CD2 1 ATOM 495 C CE1 . PHE A 1 64 ? 9.432 -22.720 -49.350 1.00 21.13 ? 66 PHE A CE1 1 ATOM 496 C CE2 . PHE A 1 64 ? 11.814 -22.988 -49.321 1.00 23.40 ? 66 PHE A CE2 1 ATOM 497 C CZ . PHE A 1 64 ? 10.627 -22.692 -48.664 1.00 25.37 ? 66 PHE A CZ 1 ATOM 498 N N . PRO A 1 65 ? 12.244 -20.755 -52.883 1.00 34.97 ? 67 PRO A N 1 ATOM 499 C CA . PRO A 1 65 ? 11.235 -20.052 -52.074 1.00 27.83 ? 67 PRO A CA 1 ATOM 500 C C . PRO A 1 65 ? 10.383 -19.003 -52.807 1.00 29.52 ? 67 PRO A C 1 ATOM 501 O O . PRO A 1 65 ? 9.422 -18.514 -52.210 1.00 25.97 ? 67 PRO A O 1 ATOM 502 C CB . PRO A 1 65 ? 12.084 -19.363 -51.006 1.00 23.70 ? 67 PRO A CB 1 ATOM 503 C CG . PRO A 1 65 ? 13.377 -19.096 -51.680 1.00 24.50 ? 67 PRO A CG 1 ATOM 504 C CD . PRO A 1 65 ? 13.607 -20.254 -52.613 1.00 27.38 ? 67 PRO A CD 1 ATOM 505 N N . ALA A 1 66 ? 10.709 -18.667 -54.054 1.00 22.71 ? 68 ALA A N 1 ATOM 506 C CA . ALA A 1 66 ? 10.015 -17.580 -54.762 1.00 21.70 ? 68 ALA A CA 1 ATOM 507 C C . ALA A 1 66 ? 8.525 -17.861 -54.962 1.00 18.04 ? 68 ALA A C 1 ATOM 508 O O . ALA A 1 66 ? 7.727 -16.950 -55.172 1.00 16.70 ? 68 ALA A O 1 ATOM 509 C CB . ALA A 1 66 ? 10.682 -17.316 -56.112 1.00 19.65 ? 68 ALA A CB 1 ATOM 510 N N . SER A 1 67 ? 8.153 -19.128 -54.893 1.00 21.82 ? 69 SER A N 1 ATOM 511 C CA . SER A 1 67 ? 6.760 -19.514 -55.063 1.00 23.57 ? 69 SER A CA 1 ATOM 512 C C . SER A 1 67 ? 6.001 -19.547 -53.736 1.00 19.44 ? 69 SER A C 1 ATOM 513 O O . SER A 1 67 ? 4.819 -19.871 -53.714 1.00 18.97 ? 69 SER A O 1 ATOM 514 C CB . SER A 1 67 ? 6.689 -20.880 -55.729 1.00 18.60 ? 69 SER A CB 1 ATOM 515 O OG . SER A 1 67 ? 7.393 -21.810 -54.937 1.00 22.27 ? 69 SER A OG 1 ATOM 516 N N . SER A 1 68 ? 6.690 -19.204 -52.648 1.00 18.79 ? 70 SER A N 1 ATOM 517 C CA . SER A 1 68 ? 6.188 -19.399 -51.285 1.00 19.59 ? 70 SER A CA 1 ATOM 518 C C . SER A 1 68 ? 5.851 -18.100 -50.533 1.00 20.46 ? 70 SER A C 1 ATOM 519 O O . SER A 1 68 ? 6.543 -17.091 -50.665 1.00 16.79 ? 70 SER A O 1 ATOM 520 C CB . SER A 1 68 ? 7.220 -20.190 -50.476 1.00 18.48 ? 70 SER A CB 1 ATOM 521 O OG . SER A 1 68 ? 6.839 -20.304 -49.123 1.00 18.35 ? 70 SER A OG 1 ATOM 522 N N . ASP A 1 69 ? 4.793 -18.138 -49.725 1.00 20.86 ? 71 ASP A N 1 ATOM 523 C CA . ASP A 1 69 ? 4.420 -16.985 -48.913 1.00 19.44 ? 71 ASP A CA 1 ATOM 524 C C . ASP A 1 69 ? 4.988 -17.103 -47.506 1.00 22.07 ? 71 ASP A C 1 ATOM 525 O O . ASP A 1 69 ? 4.708 -16.260 -46.653 1.00 21.67 ? 71 ASP A O 1 ATOM 526 C CB . ASP A 1 69 ? 2.897 -16.823 -48.857 1.00 16.18 ? 71 ASP A CB 1 ATOM 527 C CG . ASP A 1 69 ? 2.311 -16.379 -50.183 1.00 21.84 ? 71 ASP A CG 1 ATOM 528 O OD1 . ASP A 1 69 ? 2.971 -15.584 -50.881 1.00 20.87 ? 71 ASP A OD1 1 ATOM 529 O OD2 . ASP A 1 69 ? 1.201 -16.833 -50.537 1.00 23.29 ? 71 ASP A OD2 1 ATOM 530 N N . VAL A 1 70 ? 5.773 -18.156 -47.263 1.00 17.01 ? 72 VAL A N 1 ATOM 531 C CA . VAL A 1 70 ? 6.485 -18.326 -45.990 1.00 14.98 ? 72 VAL A CA 1 ATOM 532 C C . VAL A 1 70 ? 7.916 -18.833 -46.210 1.00 18.41 ? 72 VAL A C 1 ATOM 533 O O . VAL A 1 70 ? 8.191 -19.550 -47.172 1.00 18.42 ? 72 VAL A O 1 ATOM 534 C CB . VAL A 1 70 ? 5.746 -19.308 -45.040 1.00 15.72 ? 72 VAL A CB 1 ATOM 535 C CG1 . VAL A 1 70 ? 4.356 -18.790 -44.698 1.00 14.28 ? 72 VAL A CG1 1 ATOM 536 C CG2 . VAL A 1 70 ? 5.677 -20.713 -45.647 1.00 14.87 ? 72 VAL A CG2 1 ATOM 537 N N . PRO A 1 71 ? 8.844 -18.461 -45.315 1.00 22.38 ? 73 PRO A N 1 ATOM 538 C CA . PRO A 1 71 ? 10.224 -18.935 -45.452 1.00 24.03 ? 73 PRO A CA 1 ATOM 539 C C . PRO A 1 71 ? 10.345 -20.421 -45.099 1.00 26.09 ? 73 PRO A C 1 ATOM 540 O O . PRO A 1 71 ? 9.345 -21.018 -44.683 1.00 27.04 ? 73 PRO A O 1 ATOM 541 C CB . PRO A 1 71 ? 10.993 -18.061 -44.453 1.00 21.53 ? 73 PRO A CB 1 ATOM 542 C CG . PRO A 1 71 ? 9.995 -17.703 -43.442 1.00 22.06 ? 73 PRO A CG 1 ATOM 543 C CD . PRO A 1 71 ? 8.692 -17.548 -44.173 1.00 22.04 ? 73 PRO A CD 1 ATOM 544 N N . LEU A 1 72 ? 11.542 -20.993 -45.245 1.00 25.93 ? 74 LEU A N 1 ATOM 545 C CA . LEU A 1 72 ? 11.766 -22.429 -45.025 1.00 25.56 ? 74 LEU A CA 1 ATOM 546 C C . LEU A 1 72 ? 11.308 -22.922 -43.650 1.00 26.80 ? 74 LEU A C 1 ATOM 547 O O . LEU A 1 72 ? 10.649 -23.963 -43.554 1.00 27.73 ? 74 LEU A O 1 ATOM 548 C CB . LEU A 1 72 ? 13.253 -22.771 -45.208 1.00 27.18 ? 74 LEU A CB 1 ATOM 549 C CG . LEU A 1 72 ? 13.650 -24.244 -45.028 1.00 27.90 ? 74 LEU A CG 1 ATOM 550 C CD1 . LEU A 1 72 ? 12.845 -25.147 -45.950 1.00 22.83 ? 74 LEU A CD1 1 ATOM 551 C CD2 . LEU A 1 72 ? 15.140 -24.460 -45.266 1.00 28.34 ? 74 LEU A CD2 1 ATOM 552 N N . ALA A 1 73 ? 11.651 -22.182 -42.594 1.00 13.17 ? 75 ALA A N 1 ATOM 553 C CA . ALA A 1 73 ? 11.392 -22.637 -41.228 1.00 17.15 ? 75 ALA A CA 1 ATOM 554 C C . ALA A 1 73 ? 9.894 -22.748 -40.919 1.00 18.28 ? 75 ALA A C 1 ATOM 555 O O . ALA A 1 73 ? 9.467 -23.652 -40.210 1.00 20.65 ? 75 ALA A O 1 ATOM 556 C CB . ALA A 1 73 ? 12.080 -21.705 -40.212 1.00 13.28 ? 75 ALA A CB 1 ATOM 557 N N . VAL A 1 74 ? 9.102 -21.823 -41.446 1.00 16.19 ? 76 VAL A N 1 ATOM 558 C CA . VAL A 1 74 ? 7.657 -21.891 -41.292 1.00 17.52 ? 76 VAL A CA 1 ATOM 559 C C . VAL A 1 74 ? 7.069 -22.983 -42.181 1.00 18.17 ? 76 VAL A C 1 ATOM 560 O O . VAL A 1 74 ? 6.181 -23.728 -41.753 1.00 18.46 ? 76 VAL A O 1 ATOM 561 C CB . VAL A 1 74 ? 6.995 -20.530 -41.618 1.00 21.11 ? 76 VAL A CB 1 ATOM 562 C CG1 . VAL A 1 74 ? 5.465 -20.632 -41.554 1.00 15.00 ? 76 VAL A CG1 1 ATOM 563 C CG2 . VAL A 1 74 ? 7.523 -19.462 -40.670 1.00 14.57 ? 76 VAL A CG2 1 ATOM 564 N N . ALA A 1 75 ? 7.579 -23.088 -43.408 1.00 17.63 ? 77 ALA A N 1 ATOM 565 C CA . ALA A 1 75 ? 7.113 -24.101 -44.351 1.00 18.99 ? 77 ALA A CA 1 ATOM 566 C C . ALA A 1 75 ? 7.203 -25.519 -43.773 1.00 17.43 ? 77 ALA A C 1 ATOM 567 O O . ALA A 1 75 ? 6.321 -26.345 -44.005 1.00 14.90 ? 77 ALA A O 1 ATOM 568 C CB . ALA A 1 75 ? 7.897 -24.011 -45.650 1.00 18.16 ? 77 ALA A CB 1 ATOM 569 N N . LYS A 1 76 ? 8.253 -25.795 -43.006 1.00 18.86 ? 78 LYS A N 1 ATOM 570 C CA . LYS A 1 76 ? 8.423 -27.129 -42.414 1.00 21.25 ? 78 LYS A CA 1 ATOM 571 C C . LYS A 1 76 ? 7.295 -27.473 -41.453 1.00 20.29 ? 78 LYS A C 1 ATOM 572 O O . LYS A 1 76 ? 7.074 -28.641 -41.171 1.00 16.30 ? 78 LYS A O 1 ATOM 573 C CB . LYS A 1 76 ? 9.762 -27.244 -41.685 1.00 15.35 ? 78 LYS A CB 1 ATOM 574 C CG . LYS A 1 76 ? 10.937 -27.080 -42.613 1.00 20.65 ? 78 LYS A CG 1 ATOM 575 C CD . LYS A 1 76 ? 12.239 -27.358 -41.927 1.00 24.20 ? 78 LYS A CD 1 ATOM 576 C CE . LYS A 1 76 ? 13.352 -27.412 -42.957 1.00 23.20 ? 78 LYS A CE 1 ATOM 577 N NZ . LYS A 1 76 ? 14.678 -27.545 -42.312 1.00 27.82 ? 78 LYS A NZ 1 ATOM 578 N N . LYS A 1 77 ? 6.589 -26.449 -40.973 1.00 19.40 ? 79 LYS A N 1 ATOM 579 C CA . LYS A 1 77 ? 5.506 -26.620 -40.015 1.00 21.87 ? 79 LYS A CA 1 ATOM 580 C C . LYS A 1 77 ? 4.153 -26.796 -40.707 1.00 21.62 ? 79 LYS A C 1 ATOM 581 O O . LYS A 1 77 ? 3.147 -27.026 -40.041 1.00 22.48 ? 79 LYS A O 1 ATOM 582 C CB . LYS A 1 77 ? 5.446 -25.419 -39.057 1.00 24.70 ? 79 LYS A CB 1 ATOM 583 C CG . LYS A 1 77 ? 6.681 -25.240 -38.162 1.00 27.98 ? 79 LYS A CG 1 ATOM 584 C CD . LYS A 1 77 ? 6.553 -26.084 -36.892 1.00 35.93 ? 79 LYS A CD 1 ATOM 585 C CE . LYS A 1 77 ? 7.822 -26.042 -36.046 1.00 46.37 ? 79 LYS A CE 1 ATOM 586 N NZ . LYS A 1 77 ? 8.154 -24.666 -35.566 1.00 42.83 ? 79 LYS A NZ 1 ATOM 587 N N . PHE A 1 78 ? 4.133 -26.677 -42.036 1.00 15.06 ? 80 PHE A N 1 ATOM 588 C CA . PHE A 1 78 ? 2.910 -26.881 -42.813 1.00 16.04 ? 80 PHE A CA 1 ATOM 589 C C . PHE A 1 78 ? 2.834 -28.298 -43.380 1.00 17.72 ? 80 PHE A C 1 ATOM 590 O O . PHE A 1 78 ? 3.843 -28.900 -43.725 1.00 17.54 ? 80 PHE A O 1 ATOM 591 C CB . PHE A 1 78 ? 2.805 -25.858 -43.966 1.00 17.54 ? 80 PHE A CB 1 ATOM 592 C CG . PHE A 1 78 ? 2.098 -24.564 -43.589 1.00 15.86 ? 80 PHE A CG 1 ATOM 593 C CD1 . PHE A 1 78 ? 2.765 -23.563 -42.892 1.00 14.12 ? 80 PHE A CD1 1 ATOM 594 C CD2 . PHE A 1 78 ? 0.774 -24.350 -43.945 1.00 13.32 ? 80 PHE A CD2 1 ATOM 595 C CE1 . PHE A 1 78 ? 2.119 -22.381 -42.542 1.00 15.41 ? 80 PHE A CE1 1 ATOM 596 C CE2 . PHE A 1 78 ? 0.119 -23.168 -43.593 1.00 18.04 ? 80 PHE A CE2 1 ATOM 597 C CZ . PHE A 1 78 ? 0.795 -22.181 -42.888 1.00 12.02 ? 80 PHE A CZ 1 ATOM 598 N N . ARG A 1 79 ? 1.624 -28.834 -43.439 1.00 21.70 ? 81 ARG A N 1 ATOM 599 C CA . ARG A 1 79 ? 1.346 -30.015 -44.230 1.00 21.41 ? 81 ARG A CA 1 ATOM 600 C C . ARG A 1 79 ? 0.724 -29.508 -45.522 1.00 23.17 ? 81 ARG A C 1 ATOM 601 O O . ARG A 1 79 ? -0.457 -29.141 -45.546 1.00 20.49 ? 81 ARG A O 1 ATOM 602 C CB . ARG A 1 79 ? 0.406 -30.978 -43.495 1.00 21.94 ? 81 ARG A CB 1 ATOM 603 C CG . ARG A 1 79 ? 0.953 -31.560 -42.190 1.00 21.49 ? 81 ARG A CG 1 ATOM 604 C CD . ARG A 1 79 ? 2.217 -32.403 -42.423 1.00 26.46 ? 81 ARG A CD 1 ATOM 605 N NE . ARG A 1 79 ? 3.388 -31.546 -42.382 1.00 28.27 ? 81 ARG A NE 1 ATOM 606 C CZ . ARG A 1 79 ? 4.049 -31.256 -41.269 1.00 24.86 ? 81 ARG A CZ 1 ATOM 607 N NH1 . ARG A 1 79 ? 3.672 -31.799 -40.120 1.00 23.76 ? 81 ARG A NH1 1 ATOM 608 N NH2 . ARG A 1 79 ? 5.090 -30.433 -41.311 1.00 18.76 ? 81 ARG A NH2 1 ATOM 609 N N . SER A 1 80 ? 1.529 -29.454 -46.582 1.00 22.42 ? 82 SER A N 1 ATOM 610 C CA . SER A 1 80 ? 1.116 -28.846 -47.847 1.00 21.54 ? 82 SER A CA 1 ATOM 611 C C . SER A 1 80 ? 1.580 -29.644 -49.064 1.00 25.07 ? 82 SER A C 1 ATOM 612 O O . SER A 1 80 ? 2.608 -30.313 -49.025 1.00 22.20 ? 82 SER A O 1 ATOM 613 C CB . SER A 1 80 ? 1.665 -27.421 -47.960 1.00 18.78 ? 82 SER A CB 1 ATOM 614 O OG . SER A 1 80 ? 1.179 -26.581 -46.929 1.00 20.82 ? 82 SER A OG 1 ATOM 615 N N . LEU A 1 81 ? 0.815 -29.552 -50.146 1.00 22.31 ? 83 LEU A N 1 ATOM 616 C CA . LEU A 1 81 ? 1.250 -30.050 -51.440 1.00 23.68 ? 83 LEU A CA 1 ATOM 617 C C . LEU A 1 81 ? 0.701 -29.127 -52.512 1.00 22.56 ? 83 LEU A C 1 ATOM 618 O O . LEU A 1 81 ? -0.448 -28.694 -52.427 1.00 24.97 ? 83 LEU A O 1 ATOM 619 C CB . LEU A 1 81 ? 0.791 -31.494 -51.676 1.00 21.73 ? 83 LEU A CB 1 ATOM 620 C CG . LEU A 1 81 ? 1.407 -32.178 -52.909 1.00 29.41 ? 83 LEU A CG 1 ATOM 621 C CD1 . LEU A 1 81 ? 2.918 -32.282 -52.780 1.00 24.95 ? 83 LEU A CD1 1 ATOM 622 C CD2 . LEU A 1 81 ? 0.795 -33.547 -53.168 1.00 21.33 ? 83 LEU A CD2 1 ATOM 623 N N . SER A 1 82 ? 1.532 -28.810 -53.500 1.00 17.68 ? 84 SER A N 1 ATOM 624 C CA . SER A 1 82 ? 1.106 -28.018 -54.645 1.00 19.02 ? 84 SER A CA 1 ATOM 625 C C . SER A 1 82 ? -0.139 -28.601 -55.308 1.00 18.13 ? 84 SER A C 1 ATOM 626 O O . SER A 1 82 ? -0.186 -29.791 -55.599 1.00 17.36 ? 84 SER A O 1 ATOM 627 C CB . SER A 1 82 ? 2.244 -27.913 -55.665 1.00 20.65 ? 84 SER A CB 1 ATOM 628 O OG . SER A 1 82 ? 3.354 -27.190 -55.139 1.00 21.53 ? 84 SER A OG 1 ATOM 629 N N . GLY A 1 83 ? -1.152 -27.762 -55.528 1.00 26.60 ? 85 GLY A N 1 ATOM 630 C CA . GLY A 1 83 ? -2.386 -28.190 -56.172 1.00 23.55 ? 85 GLY A CA 1 ATOM 631 C C . GLY A 1 83 ? -3.470 -28.717 -55.234 1.00 24.44 ? 85 GLY A C 1 ATOM 632 O O . GLY A 1 83 ? -4.605 -28.912 -55.650 1.00 26.96 ? 85 GLY A O 1 ATOM 633 N N . ALA A 1 84 ? -3.128 -28.932 -53.967 1.00 19.62 ? 86 ALA A N 1 ATOM 634 C CA . ALA A 1 84 ? -4.043 -29.557 -53.008 1.00 19.25 ? 86 ALA A CA 1 ATOM 635 C C . ALA A 1 84 ? -5.027 -28.569 -52.383 1.00 17.27 ? 86 ALA A C 1 ATOM 636 O O . ALA A 1 84 ? -4.807 -27.357 -52.432 1.00 15.19 ? 86 ALA A O 1 ATOM 637 C CB . ALA A 1 84 ? -3.250 -30.239 -51.920 1.00 16.52 ? 86 ALA A CB 1 ATOM 638 N N . SER A 1 85 ? -6.102 -29.106 -51.800 1.00 15.74 ? 87 SER A N 1 ATOM 639 C CA . SER A 1 85 ? -7.014 -28.344 -50.942 1.00 16.54 ? 87 SER A CA 1 ATOM 640 C C . SER A 1 85 ? -7.862 -29.307 -50.123 1.00 19.43 ? 87 SER A C 1 ATOM 641 O O . SER A 1 85 ? -8.162 -30.410 -50.594 1.00 17.93 ? 87 SER A O 1 ATOM 642 C CB . SER A 1 85 ? -7.928 -27.429 -51.765 1.00 17.37 ? 87 SER A CB 1 ATOM 643 O OG . SER A 1 85 ? -9.161 -28.073 -52.048 1.00 15.07 ? 87 SER A OG 1 ATOM 644 N N . LEU A 1 86 ? -8.259 -28.898 -48.913 1.00 18.40 ? 88 LEU A N 1 ATOM 645 C CA . LEU A 1 86 ? -9.115 -29.740 -48.069 1.00 18.34 ? 88 LEU A CA 1 ATOM 646 C C . LEU A 1 86 ? -10.303 -30.276 -48.864 1.00 17.53 ? 88 LEU A C 1 ATOM 647 O O . LEU A 1 86 ? -10.591 -31.469 -48.833 1.00 16.99 ? 88 LEU A O 1 ATOM 648 C CB . LEU A 1 86 ? -9.640 -28.980 -46.837 1.00 19.09 ? 88 LEU A CB 1 ATOM 649 C CG . LEU A 1 86 ? -8.745 -28.590 -45.653 1.00 23.74 ? 88 LEU A CG 1 ATOM 650 C CD1 . LEU A 1 86 ? -9.521 -28.687 -44.338 1.00 18.20 ? 88 LEU A CD1 1 ATOM 651 C CD2 . LEU A 1 86 ? -7.482 -29.413 -45.588 1.00 26.02 ? 88 LEU A CD2 1 ATOM 652 N N . MET A 1 87 ? -10.977 -29.388 -49.589 1.00 18.69 ? 89 MET A N 1 ATOM 653 C CA . MET A 1 87 ? -12.179 -29.763 -50.326 1.00 19.42 ? 89 MET A CA 1 ATOM 654 C C . MET A 1 87 ? -11.874 -30.724 -51.479 1.00 20.38 ? 89 MET A C 1 ATOM 655 O O . MET A 1 87 ? -12.608 -31.691 -51.697 1.00 23.38 ? 89 MET A O 1 ATOM 656 C CB . MET A 1 87 ? -12.888 -28.515 -50.850 1.00 19.14 ? 89 MET A CB 1 ATOM 657 C CG . MET A 1 87 ? -14.270 -28.783 -51.448 1.00 23.51 ? 89 MET A CG 1 ATOM 658 S SD . MET A 1 87 ? -14.978 -27.286 -52.166 1.00 28.77 ? 89 MET A SD 1 ATOM 659 C CE . MET A 1 87 ? -16.323 -27.965 -53.143 1.00 20.54 ? 89 MET A CE 1 ATOM 660 N N . LEU A 1 88 ? -10.794 -30.466 -52.212 1.00 17.82 ? 90 LEU A N 1 ATOM 661 C CA . LEU A 1 88 ? -10.357 -31.392 -53.259 1.00 22.60 ? 90 LEU A CA 1 ATOM 662 C C . LEU A 1 88 ? -10.156 -32.807 -52.708 1.00 19.78 ? 90 LEU A C 1 ATOM 663 O O . LEU A 1 88 ? -10.561 -33.787 -53.325 1.00 23.50 ? 90 LEU A O 1 ATOM 664 C CB . LEU A 1 88 ? -9.068 -30.898 -53.910 1.00 21.54 ? 90 LEU A CB 1 ATOM 665 C CG . LEU A 1 88 ? -9.219 -29.755 -54.910 1.00 23.56 ? 90 LEU A CG 1 ATOM 666 C CD1 . LEU A 1 88 ? -7.851 -29.243 -55.327 1.00 20.36 ? 90 LEU A CD1 1 ATOM 667 C CD2 . LEU A 1 88 ? -10.010 -30.230 -56.117 1.00 22.23 ? 90 LEU A CD2 1 ATOM 668 N N . SER A 1 89 ? -9.554 -32.914 -51.533 1.00 16.32 ? 91 SER A N 1 ATOM 669 C CA . SER A 1 89 ? -9.347 -34.231 -50.938 1.00 17.01 ? 91 SER A CA 1 ATOM 670 C C . SER A 1 89 ? -10.662 -34.793 -50.414 1.00 21.15 ? 91 SER A C 1 ATOM 671 O O . SER A 1 89 ? -10.823 -36.014 -50.310 1.00 19.70 ? 91 SER A O 1 ATOM 672 C CB . SER A 1 89 ? -8.315 -34.164 -49.816 1.00 16.24 ? 91 SER A CB 1 ATOM 673 O OG . SER A 1 89 ? -7.008 -34.029 -50.337 1.00 18.84 ? 91 SER A OG 1 ATOM 674 N N . ALA A 1 90 ? -11.608 -33.907 -50.093 1.00 16.92 ? 92 ALA A N 1 ATOM 675 C CA . ALA A 1 90 ? -12.901 -34.352 -49.568 1.00 19.55 ? 92 ALA A CA 1 ATOM 676 C C . ALA A 1 90 ? -13.683 -35.156 -50.603 1.00 20.32 ? 92 ALA A C 1 ATOM 677 O O . ALA A 1 90 ? -14.275 -36.176 -50.280 1.00 22.31 ? 92 ALA A O 1 ATOM 678 C CB . ALA A 1 90 ? -13.737 -33.159 -49.085 1.00 19.04 ? 92 ALA A CB 1 ATOM 679 N N . PHE A 1 91 ? -13.675 -34.687 -51.845 1.00 20.24 ? 93 PHE A N 1 ATOM 680 C CA . PHE A 1 91 ? -14.479 -35.277 -52.903 1.00 23.28 ? 93 PHE A CA 1 ATOM 681 C C . PHE A 1 91 ? -13.641 -36.142 -53.829 1.00 25.88 ? 93 PHE A C 1 ATOM 682 O O . PHE A 1 91 ? -14.116 -37.166 -54.337 1.00 23.92 ? 93 PHE A O 1 ATOM 683 C CB . PHE A 1 91 ? -15.189 -34.181 -53.716 1.00 26.03 ? 93 PHE A CB 1 ATOM 684 C CG . PHE A 1 91 ? -16.288 -33.483 -52.962 1.00 27.75 ? 93 PHE A CG 1 ATOM 685 C CD1 . PHE A 1 91 ? -15.994 -32.465 -52.063 1.00 23.61 ? 93 PHE A CD1 1 ATOM 686 C CD2 . PHE A 1 91 ? -17.615 -33.854 -53.141 1.00 28.09 ? 93 PHE A CD2 1 ATOM 687 C CE1 . PHE A 1 91 ? -17.004 -31.827 -51.361 1.00 24.87 ? 93 PHE A CE1 1 ATOM 688 C CE2 . PHE A 1 91 ? -18.633 -33.216 -52.440 1.00 25.91 ? 93 PHE A CE2 1 ATOM 689 C CZ . PHE A 1 91 ? -18.327 -32.204 -51.550 1.00 26.80 ? 93 PHE A CZ 1 ATOM 690 N N . GLY A 1 92 ? -12.394 -35.727 -54.039 1.00 19.73 ? 94 GLY A N 1 ATOM 691 C CA . GLY A 1 92 ? -11.512 -36.387 -54.985 1.00 20.63 ? 94 GLY A CA 1 ATOM 692 C C . GLY A 1 92 ? -12.033 -36.338 -56.415 1.00 23.21 ? 94 GLY A C 1 ATOM 693 O O . GLY A 1 92 ? -12.345 -37.371 -57.004 1.00 26.39 ? 94 GLY A O 1 ATOM 694 N N . PRO A 1 93 ? -12.141 -35.134 -56.989 1.00 26.21 ? 95 PRO A N 1 ATOM 695 C CA . PRO A 1 93 ? -12.570 -35.077 -58.390 1.00 28.49 ? 95 PRO A CA 1 ATOM 696 C C . PRO A 1 93 ? -11.433 -35.535 -59.312 1.00 28.43 ? 95 PRO A C 1 ATOM 697 O O . PRO A 1 93 ? -10.267 -35.398 -58.935 1.00 24.05 ? 95 PRO A O 1 ATOM 698 C CB . PRO A 1 93 ? -12.906 -33.592 -58.605 1.00 25.11 ? 95 PRO A CB 1 ATOM 699 C CG . PRO A 1 93 ? -12.834 -32.948 -57.219 1.00 29.21 ? 95 PRO A CG 1 ATOM 700 C CD . PRO A 1 93 ? -11.879 -33.792 -56.440 1.00 20.25 ? 95 PRO A CD 1 ATOM 701 N N . PRO A 1 94 ? -11.768 -36.076 -60.495 1.00 22.98 ? 96 PRO A N 1 ATOM 702 C CA . PRO A 1 94 ? -10.799 -36.686 -61.413 1.00 23.15 ? 96 PRO A CA 1 ATOM 703 C C . PRO A 1 94 ? -9.640 -35.774 -61.789 1.00 21.64 ? 96 PRO A C 1 ATOM 704 O O . PRO A 1 94 ? -9.857 -34.605 -62.075 1.00 22.97 ? 96 PRO A O 1 ATOM 705 C CB . PRO A 1 94 ? -11.648 -37.006 -62.647 1.00 29.52 ? 96 PRO A CB 1 ATOM 706 C CG . PRO A 1 94 ? -13.014 -37.198 -62.115 1.00 27.84 ? 96 PRO A CG 1 ATOM 707 C CD . PRO A 1 94 ? -13.147 -36.198 -61.001 1.00 26.26 ? 96 PRO A CD 1 ATOM 708 N N . GLY A 1 95 ? -8.422 -36.306 -61.764 1.00 23.56 ? 97 GLY A N 1 ATOM 709 C CA . GLY A 1 95 ? -7.258 -35.570 -62.220 1.00 23.74 ? 97 GLY A CA 1 ATOM 710 C C . GLY A 1 95 ? -6.738 -34.466 -61.312 1.00 29.64 ? 97 GLY A C 1 ATOM 711 O O . GLY A 1 95 ? -5.719 -33.848 -61.615 1.00 24.75 ? 97 GLY A O 1 ATOM 712 N N . LYS A 1 96 ? -7.425 -34.208 -60.203 1.00 27.37 ? 98 LYS A N 1 ATOM 713 C CA . LYS A 1 96 ? -6.970 -33.184 -59.260 1.00 31.37 ? 98 LYS A CA 1 ATOM 714 C C . LYS A 1 96 ? -6.080 -33.835 -58.204 1.00 26.76 ? 98 LYS A C 1 ATOM 715 O O . LYS A 1 96 ? -6.252 -35.013 -57.895 1.00 27.30 ? 98 LYS A O 1 ATOM 716 C CB . LYS A 1 96 ? -8.158 -32.475 -58.604 1.00 24.44 ? 98 LYS A CB 1 ATOM 717 C CG . LYS A 1 96 ? -9.252 -32.049 -59.581 1.00 24.21 ? 98 LYS A CG 1 ATOM 718 C CD . LYS A 1 96 ? -8.717 -31.097 -60.644 1.00 23.31 ? 98 LYS A CD 1 ATOM 719 C CE . LYS A 1 96 ? -8.221 -29.798 -60.025 1.00 28.18 ? 98 LYS A CE 1 ATOM 720 N NZ . LYS A 1 96 ? -7.800 -28.817 -61.067 1.00 34.16 ? 98 LYS A NZ 1 ATOM 721 N N . VAL A 1 97 ? -5.128 -33.088 -57.653 1.00 19.63 ? 99 VAL A N 1 ATOM 722 C CA . VAL A 1 97 ? -4.224 -33.702 -56.702 1.00 25.07 ? 99 VAL A CA 1 ATOM 723 C C . VAL A 1 97 ? -4.991 -33.974 -55.401 1.00 25.40 ? 99 VAL A C 1 ATOM 724 O O . VAL A 1 97 ? -5.833 -33.186 -54.952 1.00 19.78 ? 99 VAL A O 1 ATOM 725 C CB . VAL A 1 97 ? -2.917 -32.856 -56.472 1.00 25.82 ? 99 VAL A CB 1 ATOM 726 C CG1 . VAL A 1 97 ? -2.702 -31.863 -57.603 1.00 16.98 ? 99 VAL A CG1 1 ATOM 727 C CG2 . VAL A 1 97 ? -2.886 -32.179 -55.105 1.00 18.51 ? 99 VAL A CG2 1 ATOM 728 N N . ASP A 1 98 ? -4.710 -35.146 -54.848 1.00 32.67 ? 100 ASP A N 1 ATOM 729 C CA . ASP A 1 98 ? -5.478 -35.746 -53.771 1.00 33.43 ? 100 ASP A CA 1 ATOM 730 C C . ASP A 1 98 ? -4.574 -35.950 -52.557 1.00 32.79 ? 100 ASP A C 1 ATOM 731 O O . ASP A 1 98 ? -4.099 -37.053 -52.317 1.00 33.75 ? 100 ASP A O 1 ATOM 732 C CB . ASP A 1 98 ? -6.074 -37.080 -54.245 1.00 29.92 ? 100 ASP A CB 1 ATOM 733 C CG . ASP A 1 98 ? -6.905 -37.778 -53.175 1.00 38.82 ? 100 ASP A CG 1 ATOM 734 O OD1 . ASP A 1 98 ? -7.177 -37.167 -52.118 1.00 41.24 ? 100 ASP A OD1 1 ATOM 735 O OD2 . ASP A 1 98 ? -7.296 -38.947 -53.395 1.00 37.79 ? 100 ASP A OD2 1 ATOM 736 N N . TYR A 1 99 ? -4.340 -34.882 -51.798 1.00 29.44 ? 101 TYR A N 1 ATOM 737 C CA . TYR A 1 99 ? -3.383 -34.919 -50.696 1.00 28.00 ? 101 TYR A CA 1 ATOM 738 C C . TYR A 1 99 ? -4.037 -35.360 -49.383 1.00 28.32 ? 101 TYR A C 1 ATOM 739 O O . TYR A 1 99 ? -5.138 -34.917 -49.039 1.00 25.95 ? 101 TYR A O 1 ATOM 740 C CB . TYR A 1 99 ? -2.714 -33.543 -50.541 1.00 23.03 ? 101 TYR A CB 1 ATOM 741 C CG . TYR A 1 99 ? -1.674 -33.442 -49.443 1.00 23.93 ? 101 TYR A CG 1 ATOM 742 C CD1 . TYR A 1 99 ? -0.614 -34.342 -49.367 1.00 26.35 ? 101 TYR A CD1 1 ATOM 743 C CD2 . TYR A 1 99 ? -1.741 -32.426 -48.489 1.00 25.61 ? 101 TYR A CD2 1 ATOM 744 C CE1 . TYR A 1 99 ? 0.346 -34.242 -48.359 1.00 21.52 ? 101 TYR A CE1 1 ATOM 745 C CE2 . TYR A 1 99 ? -0.791 -32.311 -47.481 1.00 22.95 ? 101 TYR A CE2 1 ATOM 746 C CZ . TYR A 1 99 ? 0.249 -33.223 -47.419 1.00 30.92 ? 101 TYR A CZ 1 ATOM 747 O OH . TYR A 1 99 ? 1.185 -33.118 -46.414 1.00 29.75 ? 101 TYR A OH 1 ATOM 748 N N . LEU A 1 100 ? -3.350 -36.239 -48.657 1.00 26.98 ? 102 LEU A N 1 ATOM 749 C CA . LEU A 1 100 ? -3.800 -36.675 -47.336 1.00 25.32 ? 102 LEU A CA 1 ATOM 750 C C . LEU A 1 100 ? -3.381 -35.677 -46.249 1.00 22.95 ? 102 LEU A C 1 ATOM 751 O O . LEU A 1 100 ? -2.309 -35.818 -45.646 1.00 24.22 ? 102 LEU A O 1 ATOM 752 C CB . LEU A 1 100 ? -3.239 -38.066 -47.000 1.00 19.46 ? 102 LEU A CB 1 ATOM 753 C CG . LEU A 1 100 ? -4.152 -38.971 -46.163 1.00 27.94 ? 102 LEU A CG 1 ATOM 754 C CD1 . LEU A 1 100 ? -3.575 -40.363 -46.075 1.00 24.26 ? 102 LEU A CD1 1 ATOM 755 C CD2 . LEU A 1 100 ? -4.419 -38.405 -44.763 1.00 22.23 ? 102 LEU A CD2 1 ATOM 756 N N . TYR A 1 101 ? -4.229 -34.685 -45.989 1.00 19.01 ? 103 TYR A N 1 ATOM 757 C CA . TYR A 1 101 ? -3.958 -33.717 -44.931 1.00 20.45 ? 103 TYR A CA 1 ATOM 758 C C . TYR A 1 101 ? -4.069 -34.388 -43.575 1.00 15.51 ? 103 TYR A C 1 ATOM 759 O O . TYR A 1 101 ? -5.081 -35.013 -43.286 1.00 16.18 ? 103 TYR A O 1 ATOM 760 C CB . TYR A 1 101 ? -4.935 -32.538 -44.983 1.00 19.98 ? 103 TYR A CB 1 ATOM 761 C CG . TYR A 1 101 ? -4.736 -31.533 -46.105 1.00 21.22 ? 103 TYR A CG 1 ATOM 762 C CD1 . TYR A 1 101 ? -3.836 -30.485 -45.968 1.00 19.27 ? 103 TYR A CD1 1 ATOM 763 C CD2 . TYR A 1 101 ? -5.490 -31.599 -47.271 1.00 17.17 ? 103 TYR A CD2 1 ATOM 764 C CE1 . TYR A 1 101 ? -3.663 -29.556 -46.965 1.00 18.14 ? 103 TYR A CE1 1 ATOM 765 C CE2 . TYR A 1 101 ? -5.329 -30.662 -48.281 1.00 19.26 ? 103 TYR A CE2 1 ATOM 766 C CZ . TYR A 1 101 ? -4.414 -29.641 -48.121 1.00 22.23 ? 103 TYR A CZ 1 ATOM 767 O OH . TYR A 1 101 ? -4.240 -28.699 -49.116 1.00 21.50 ? 103 TYR A OH 1 ATOM 768 N N . GLN A 1 102 ? -3.037 -34.274 -42.745 1.00 14.27 ? 104 GLN A N 1 ATOM 769 C CA . GLN A 1 102 ? -3.153 -34.757 -41.367 1.00 17.83 ? 104 GLN A CA 1 ATOM 770 C C . GLN A 1 102 ? -2.115 -34.140 -40.459 1.00 19.54 ? 104 GLN A C 1 ATOM 771 O O . GLN A 1 102 ? -0.997 -33.844 -40.882 1.00 22.17 ? 104 GLN A O 1 ATOM 772 C CB . GLN A 1 102 ? -3.050 -36.286 -41.297 1.00 20.48 ? 104 GLN A CB 1 ATOM 773 C CG . GLN A 1 102 ? -1.852 -36.896 -41.992 1.00 21.26 ? 104 GLN A CG 1 ATOM 774 C CD . GLN A 1 102 ? -1.775 -38.399 -41.776 1.00 26.85 ? 104 GLN A CD 1 ATOM 775 O OE1 . GLN A 1 102 ? -2.801 -39.078 -41.617 1.00 28.20 ? 104 GLN A OE1 1 ATOM 776 N NE2 . GLN A 1 102 ? -0.559 -38.926 -41.763 1.00 25.69 ? 104 GLN A NE2 1 ATOM 777 N N . GLY A 1 103 ? -2.491 -33.941 -39.203 1.00 19.38 ? 105 GLY A N 1 ATOM 778 C CA . GLY A 1 103 ? -1.585 -33.340 -38.249 1.00 19.50 ? 105 GLY A CA 1 ATOM 779 C C . GLY A 1 103 ? -2.228 -32.935 -36.942 1.00 18.36 ? 105 GLY A C 1 ATOM 780 O O . GLY A 1 103 ? -3.433 -33.051 -36.766 1.00 22.49 ? 105 GLY A O 1 ATOM 781 N N . CYS A 1 104 ? -1.397 -32.452 -36.029 1.00 21.75 ? 106 CYS A N 1 ATOM 782 C CA . CYS A 1 104 ? -1.801 -32.083 -34.684 1.00 24.61 ? 106 CYS A CA 1 ATOM 783 C C . CYS A 1 104 ? -1.158 -30.767 -34.301 1.00 25.01 ? 106 CYS A C 1 ATOM 784 O O . CYS A 1 104 ? 0.020 -30.544 -34.589 1.00 27.29 ? 106 CYS A O 1 ATOM 785 C CB . CYS A 1 104 ? -1.394 -33.160 -33.671 1.00 23.42 ? 106 CYS A CB 1 ATOM 786 S SG . CYS A 1 104 ? -2.221 -34.729 -33.886 1.00 31.95 ? 106 CYS A SG 1 ATOM 787 N N . GLY A 1 105 ? -1.930 -29.910 -33.639 1.00 18.31 ? 107 GLY A N 1 ATOM 788 C CA . GLY A 1 105 ? -1.442 -28.630 -33.153 1.00 15.99 ? 107 GLY A CA 1 ATOM 789 C C . GLY A 1 105 ? -2.595 -27.883 -32.521 1.00 16.74 ? 107 GLY A C 1 ATOM 790 O O . GLY A 1 105 ? -3.667 -27.780 -33.106 1.00 18.81 ? 107 GLY A O 1 ATOM 791 N N . LYS A 1 106 ? -2.391 -27.379 -31.313 1.00 28.48 ? 108 LYS A N 1 ATOM 792 C CA . LYS A 1 106 ? -3.450 -26.668 -30.602 1.00 29.63 ? 108 LYS A CA 1 ATOM 793 C C . LYS A 1 106 ? -3.815 -25.380 -31.354 1.00 26.74 ? 108 LYS A C 1 ATOM 794 O O . LYS A 1 106 ? -4.986 -24.981 -31.394 1.00 24.03 ? 108 LYS A O 1 ATOM 795 C CB . LYS A 1 106 ? -3.021 -26.358 -29.165 1.00 26.05 ? 108 LYS A CB 1 ATOM 796 C CG . LYS A 1 106 ? -4.183 -26.158 -28.207 1.00 29.43 ? 108 LYS A CG 1 ATOM 797 C CD . LYS A 1 106 ? -3.729 -25.622 -26.849 1.00 27.31 ? 108 LYS A CD 1 ATOM 798 C CE . LYS A 1 106 ? -4.933 -25.148 -26.032 1.00 28.27 ? 108 LYS A CE 1 ATOM 799 N NZ . LYS A 1 106 ? -4.554 -24.450 -24.775 1.00 35.05 ? 108 LYS A NZ 1 ATOM 800 N N . GLU A 1 107 ? -2.808 -24.739 -31.946 1.00 16.96 ? 109 GLU A N 1 ATOM 801 C CA . GLU A 1 107 ? -3.045 -23.616 -32.842 1.00 18.71 ? 109 GLU A CA 1 ATOM 802 C C . GLU A 1 107 ? -2.984 -24.119 -34.275 1.00 19.63 ? 109 GLU A C 1 ATOM 803 O O . GLU A 1 107 ? -2.076 -24.868 -34.641 1.00 19.69 ? 109 GLU A O 1 ATOM 804 C CB . GLU A 1 107 ? -2.028 -22.492 -32.613 1.00 17.64 ? 109 GLU A CB 1 ATOM 805 C CG . GLU A 1 107 ? -2.110 -21.837 -31.230 1.00 18.92 ? 109 GLU A CG 1 ATOM 806 C CD . GLU A 1 107 ? -0.979 -20.839 -30.991 1.00 19.47 ? 109 GLU A CD 1 ATOM 807 O OE1 . GLU A 1 107 ? 0.095 -21.255 -30.521 1.00 18.47 ? 109 GLU A OE1 1 ATOM 808 O OE2 . GLU A 1 107 ? -1.154 -19.642 -31.290 1.00 16.76 ? 109 GLU A OE2 1 ATOM 809 N N . LYS A 1 108 ? -3.959 -23.726 -35.085 1.00 22.57 ? 110 LYS A N 1 ATOM 810 C CA . LYS A 1 108 ? -4.058 -24.237 -36.452 1.00 18.77 ? 110 LYS A CA 1 ATOM 811 C C . LYS A 1 108 ? -4.092 -23.103 -37.473 1.00 19.57 ? 110 LYS A C 1 ATOM 812 O O . LYS A 1 108 ? -4.777 -22.100 -37.278 1.00 19.79 ? 110 LYS A O 1 ATOM 813 C CB . LYS A 1 108 ? -5.305 -25.118 -36.607 1.00 18.43 ? 110 LYS A CB 1 ATOM 814 C CG . LYS A 1 108 ? -5.349 -26.350 -35.691 1.00 19.63 ? 110 LYS A CG 1 ATOM 815 C CD . LYS A 1 108 ? -6.645 -27.166 -35.892 1.00 18.77 ? 110 LYS A CD 1 ATOM 816 C CE . LYS A 1 108 ? -6.711 -28.373 -34.953 1.00 19.80 ? 110 LYS A CE 1 ATOM 817 N NZ . LYS A 1 108 ? -6.534 -27.997 -33.511 1.00 17.95 ? 110 LYS A NZ 1 ATOM 818 N N . VAL A 1 109 ? -3.343 -23.256 -38.560 1.00 14.99 ? 111 VAL A N 1 ATOM 819 C CA . VAL A 1 109 ? -3.383 -22.279 -39.629 1.00 13.60 ? 111 VAL A CA 1 ATOM 820 C C . VAL A 1 109 ? -3.839 -22.952 -40.916 1.00 18.12 ? 111 VAL A C 1 ATOM 821 O O . VAL A 1 109 ? -3.213 -23.910 -41.390 1.00 16.66 ? 111 VAL A O 1 ATOM 822 C CB . VAL A 1 109 ? -2.015 -21.599 -39.861 1.00 14.68 ? 111 VAL A CB 1 ATOM 823 C CG1 . VAL A 1 109 ? -2.177 -20.443 -40.844 1.00 11.32 ? 111 VAL A CG1 1 ATOM 824 C CG2 . VAL A 1 109 ? -1.434 -21.087 -38.553 1.00 16.83 ? 111 VAL A CG2 1 ATOM 825 N N . PHE A 1 110 ? -4.943 -22.455 -41.466 1.00 20.92 ? 112 PHE A N 1 ATOM 826 C CA . PHE A 1 110 ? -5.497 -22.992 -42.708 1.00 18.90 ? 112 PHE A CA 1 ATOM 827 C C . PHE A 1 110 ? -5.247 -22.004 -43.836 1.00 21.62 ? 112 PHE A C 1 ATOM 828 O O . PHE A 1 110 ? -5.814 -20.902 -43.845 1.00 21.50 ? 112 PHE A O 1 ATOM 829 C CB . PHE A 1 110 ? -7.001 -23.258 -42.589 1.00 16.95 ? 112 PHE A CB 1 ATOM 830 C CG . PHE A 1 110 ? -7.365 -24.389 -41.669 1.00 17.89 ? 112 PHE A CG 1 ATOM 831 C CD1 . PHE A 1 110 ? -7.500 -24.177 -40.305 1.00 17.52 ? 112 PHE A CD1 1 ATOM 832 C CD2 . PHE A 1 110 ? -7.619 -25.659 -42.175 1.00 17.41 ? 112 PHE A CD2 1 ATOM 833 C CE1 . PHE A 1 110 ? -7.853 -25.223 -39.453 1.00 18.01 ? 112 PHE A CE1 1 ATOM 834 C CE2 . PHE A 1 110 ? -7.981 -26.708 -41.334 1.00 14.09 ? 112 PHE A CE2 1 ATOM 835 C CZ . PHE A 1 110 ? -8.097 -26.491 -39.974 1.00 17.64 ? 112 PHE A CZ 1 ATOM 836 N N . TYR A 1 111 ? -4.396 -22.393 -44.778 1.00 18.79 ? 113 TYR A N 1 ATOM 837 C CA . TYR A 1 111 ? -4.102 -21.558 -45.930 1.00 16.61 ? 113 TYR A CA 1 ATOM 838 C C . TYR A 1 111 ? -4.221 -22.364 -47.237 1.00 21.20 ? 113 TYR A C 1 ATOM 839 O O . TYR A 1 111 ? -3.223 -22.595 -47.927 1.00 17.61 ? 113 TYR A O 1 ATOM 840 C CB . TYR A 1 111 ? -2.703 -20.933 -45.773 1.00 16.90 ? 113 TYR A CB 1 ATOM 841 C CG . TYR A 1 111 ? -2.277 -19.941 -46.850 1.00 17.71 ? 113 TYR A CG 1 ATOM 842 C CD1 . TYR A 1 111 ? -3.212 -19.306 -47.673 1.00 20.14 ? 113 TYR A CD1 1 ATOM 843 C CD2 . TYR A 1 111 ? -0.929 -19.661 -47.057 1.00 16.64 ? 113 TYR A CD2 1 ATOM 844 C CE1 . TYR A 1 111 ? -2.812 -18.408 -48.663 1.00 16.98 ? 113 TYR A CE1 1 ATOM 845 C CE2 . TYR A 1 111 ? -0.518 -18.770 -48.039 1.00 20.59 ? 113 TYR A CE2 1 ATOM 846 C CZ . TYR A 1 111 ? -1.459 -18.146 -48.839 1.00 20.98 ? 113 TYR A CZ 1 ATOM 847 O OH . TYR A 1 111 ? -1.032 -17.272 -49.815 1.00 19.21 ? 113 TYR A OH 1 ATOM 848 N N . GLU A 1 112 ? -5.440 -22.823 -47.541 1.00 20.30 ? 114 GLU A N 1 ATOM 849 C CA . GLU A 1 112 ? -5.818 -23.183 -48.911 1.00 22.70 ? 114 GLU A CA 1 ATOM 850 C C . GLU A 1 112 ? -7.296 -23.013 -49.144 1.00 22.27 ? 114 GLU A C 1 ATOM 851 O O . GLU A 1 112 ? -8.004 -22.422 -48.340 1.00 22.56 ? 114 GLU A O 1 ATOM 852 C CB . GLU A 1 112 ? -5.523 -24.628 -49.296 1.00 26.70 ? 114 GLU A CB 1 ATOM 853 C CG . GLU A 1 112 ? -4.689 -25.402 -48.419 1.00 26.36 ? 114 GLU A CG 1 ATOM 854 C CD . GLU A 1 112 ? -5.474 -25.939 -47.265 1.00 31.91 ? 114 GLU A CD 1 ATOM 855 O OE1 . GLU A 1 112 ? -6.682 -25.621 -47.166 1.00 26.93 ? 114 GLU A OE1 1 ATOM 856 O OE2 . GLU A 1 112 ? -4.895 -26.696 -46.460 1.00 43.53 ? 114 GLU A OE2 1 ATOM 857 N N . GLY A 1 113 ? -7.743 -23.596 -50.255 1.00 19.99 ? 115 GLY A N 1 ATOM 858 C CA . GLY A 1 113 ? -9.108 -23.475 -50.730 1.00 20.70 ? 115 GLY A CA 1 ATOM 859 C C . GLY A 1 113 ? -9.112 -23.108 -52.203 1.00 16.61 ? 115 GLY A C 1 ATOM 860 O O . GLY A 1 113 ? -9.952 -23.573 -52.975 1.00 16.67 ? 115 GLY A O 1 ATOM 861 N N . VAL A 1 114 ? -8.134 -22.298 -52.597 1.00 18.53 ? 116 VAL A N 1 ATOM 862 C CA . VAL A 1 114 ? -8.097 -21.722 -53.942 1.00 19.86 ? 116 VAL A CA 1 ATOM 863 C C . VAL A 1 114 ? -7.999 -22.760 -55.074 1.00 22.66 ? 116 VAL A C 1 ATOM 864 O O . VAL A 1 114 ? -8.452 -22.499 -56.190 1.00 22.47 ? 116 VAL A O 1 ATOM 865 C CB . VAL A 1 114 ? -6.932 -20.714 -54.083 1.00 18.36 ? 116 VAL A CB 1 ATOM 866 C CG1 . VAL A 1 114 ? -5.584 -21.425 -54.054 1.00 17.96 ? 116 VAL A CG1 1 ATOM 867 C CG2 . VAL A 1 114 ? -7.089 -19.895 -55.357 1.00 19.46 ? 116 VAL A CG2 1 ATOM 868 N N . ASN A 1 115 ? -7.461 -23.945 -54.801 1.00 20.31 ? 117 ASN A N 1 ATOM 869 C CA . ASN A 1 115 ? -7.306 -24.926 -55.876 1.00 20.24 ? 117 ASN A CA 1 ATOM 870 C C . ASN A 1 115 ? -8.615 -25.603 -56.268 1.00 23.60 ? 117 ASN A C 1 ATOM 871 O O . ASN A 1 115 ? -8.672 -26.359 -57.248 1.00 19.67 ? 117 ASN A O 1 ATOM 872 C CB . ASN A 1 115 ? -6.256 -25.964 -55.497 1.00 21.26 ? 117 ASN A CB 1 ATOM 873 C CG . ASN A 1 115 ? -4.861 -25.417 -55.627 1.00 23.01 ? 117 ASN A CG 1 ATOM 874 O OD1 . ASN A 1 115 ? -4.574 -24.657 -56.555 1.00 27.61 ? 117 ASN A OD1 1 ATOM 875 N ND2 . ASN A 1 115 ? -3.998 -25.749 -54.680 1.00 20.75 ? 117 ASN A ND2 1 ATOM 876 N N . TRP A 1 116 ? -9.668 -25.329 -55.505 1.00 23.83 ? 118 TRP A N 1 ATOM 877 C CA . TRP A 1 116 ? -11.022 -25.566 -56.003 1.00 26.38 ? 118 TRP A CA 1 ATOM 878 C C . TRP A 1 116 ? -11.826 -24.265 -55.901 1.00 27.83 ? 118 TRP A C 1 ATOM 879 O O . TRP A 1 116 ? -12.508 -24.012 -54.907 1.00 27.79 ? 118 TRP A O 1 ATOM 880 C CB . TRP A 1 116 ? -11.708 -26.703 -55.247 1.00 23.41 ? 118 TRP A CB 1 ATOM 881 C CG . TRP A 1 116 ? -12.941 -27.223 -55.936 1.00 24.43 ? 118 TRP A CG 1 ATOM 882 C CD1 . TRP A 1 116 ? -13.636 -26.614 -56.936 1.00 28.10 ? 118 TRP A CD1 1 ATOM 883 C CD2 . TRP A 1 116 ? -13.618 -28.462 -55.676 1.00 22.27 ? 118 TRP A CD2 1 ATOM 884 N NE1 . TRP A 1 116 ? -14.710 -27.387 -57.310 1.00 30.32 ? 118 TRP A NE1 1 ATOM 885 C CE2 . TRP A 1 116 ? -14.717 -28.530 -56.557 1.00 25.40 ? 118 TRP A CE2 1 ATOM 886 C CE3 . TRP A 1 116 ? -13.400 -29.519 -54.785 1.00 21.20 ? 118 TRP A CE3 1 ATOM 887 C CZ2 . TRP A 1 116 ? -15.599 -29.611 -56.573 1.00 22.92 ? 118 TRP A CZ2 1 ATOM 888 C CZ3 . TRP A 1 116 ? -14.277 -30.600 -54.806 1.00 25.68 ? 118 TRP A CZ3 1 ATOM 889 C CH2 . TRP A 1 116 ? -15.362 -30.635 -55.693 1.00 24.01 ? 118 TRP A CH2 1 ATOM 890 N N . SER A 1 117 ? -11.692 -23.439 -56.935 1.00 28.31 ? 119 SER A N 1 ATOM 891 C CA . SER A 1 117 ? -12.473 -22.221 -57.125 1.00 30.22 ? 119 SER A CA 1 ATOM 892 C C . SER A 1 117 ? -13.219 -22.351 -58.462 1.00 30.49 ? 119 SER A C 1 ATOM 893 O O . SER A 1 117 ? -13.076 -23.370 -59.133 1.00 29.82 ? 119 SER A O 1 ATOM 894 C CB . SER A 1 117 ? -11.561 -20.991 -57.113 1.00 26.42 ? 119 SER A CB 1 ATOM 895 O OG . SER A 1 117 ? -10.692 -21.009 -56.004 1.00 27.38 ? 119 SER A OG 1 ATOM 896 N N . PRO A 1 118 ? -14.028 -21.340 -58.852 1.00 29.00 ? 120 PRO A N 1 ATOM 897 C CA . PRO A 1 118 ? -14.657 -21.428 -60.177 1.00 29.79 ? 120 PRO A CA 1 ATOM 898 C C . PRO A 1 118 ? -13.668 -21.649 -61.322 1.00 29.03 ? 120 PRO A C 1 ATOM 899 O O . PRO A 1 118 ? -14.009 -22.305 -62.302 1.00 25.75 ? 120 PRO A O 1 ATOM 900 C CB . PRO A 1 118 ? -15.346 -20.070 -60.318 1.00 24.51 ? 120 PRO A CB 1 ATOM 901 C CG . PRO A 1 118 ? -15.738 -19.733 -58.935 1.00 26.76 ? 120 PRO A CG 1 ATOM 902 C CD . PRO A 1 118 ? -14.618 -20.245 -58.056 1.00 28.82 ? 120 PRO A CD 1 ATOM 903 N N . GLU A 1 119 ? -12.460 -21.114 -61.177 1.00 31.86 ? 121 GLU A N 1 ATOM 904 C CA . GLU A 1 119 ? -11.405 -21.237 -62.182 1.00 34.89 ? 121 GLU A CA 1 ATOM 905 C C . GLU A 1 119 ? -11.125 -22.681 -62.613 1.00 34.16 ? 121 GLU A C 1 ATOM 906 O O . GLU A 1 119 ? -10.794 -22.943 -63.770 1.00 33.45 ? 121 GLU A O 1 ATOM 907 C CB . GLU A 1 119 ? -10.118 -20.606 -61.642 1.00 30.14 ? 121 GLU A CB 1 ATOM 908 C CG . GLU A 1 119 ? -8.929 -20.708 -62.570 1.00 29.27 ? 121 GLU A CG 1 ATOM 909 C CD . GLU A 1 119 ? -8.980 -19.706 -63.710 1.00 33.33 ? 121 GLU A CD 1 ATOM 910 O OE1 . GLU A 1 119 ? -9.963 -18.938 -63.809 1.00 33.37 ? 121 GLU A OE1 1 ATOM 911 O OE2 . GLU A 1 119 ? -8.026 -19.686 -64.510 1.00 36.92 ? 121 GLU A OE2 1 ATOM 912 N N . ALA A 1 120 ? -11.260 -23.610 -61.675 1.00 27.52 ? 122 ALA A N 1 ATOM 913 C CA . ALA A 1 120 ? -10.926 -25.006 -61.919 1.00 31.52 ? 122 ALA A CA 1 ATOM 914 C C . ALA A 1 120 ? -11.958 -25.695 -62.818 1.00 30.98 ? 122 ALA A C 1 ATOM 915 O O . ALA A 1 120 ? -11.708 -26.774 -63.343 1.00 34.65 ? 122 ALA A O 1 ATOM 916 C CB . ALA A 1 120 ? -10.791 -25.752 -60.585 1.00 27.38 ? 122 ALA A CB 1 ATOM 917 N N . GLY A 1 121 ? -13.123 -25.076 -62.975 1.00 37.54 ? 123 GLY A N 1 ATOM 918 C CA . GLY A 1 121 ? -14.148 -25.573 -63.880 1.00 34.86 ? 123 GLY A CA 1 ATOM 919 C C . GLY A 1 121 ? -14.616 -26.999 -63.633 1.00 37.30 ? 123 GLY A C 1 ATOM 920 O O . GLY A 1 121 ? -14.982 -27.707 -64.571 1.00 36.26 ? 123 GLY A O 1 ATOM 921 N N . ILE A 1 122 ? -14.606 -27.430 -62.376 1.00 33.64 ? 124 ILE A N 1 ATOM 922 C CA . ILE A 1 122 ? -15.151 -28.734 -62.037 1.00 29.56 ? 124 ILE A CA 1 ATOM 923 C C . ILE A 1 122 ? -16.667 -28.658 -62.130 1.00 29.79 ? 124 ILE A C 1 ATOM 924 O O . ILE A 1 122 ? -17.279 -27.726 -61.608 1.00 27.02 ? 124 ILE A O 1 ATOM 925 C CB . ILE A 1 122 ? -14.715 -29.194 -60.632 1.00 29.68 ? 124 ILE A CB 1 ATOM 926 C CG1 . ILE A 1 122 ? -13.188 -29.272 -60.558 1.00 28.39 ? 124 ILE A CG1 1 ATOM 927 C CG2 . ILE A 1 122 ? -15.331 -30.554 -60.289 1.00 27.14 ? 124 ILE A CG2 1 ATOM 928 C CD1 . ILE A 1 122 ? -12.654 -29.708 -59.203 1.00 28.97 ? 124 ILE A CD1 1 ATOM 929 N N . ASP A 1 123 ? -17.266 -29.625 -62.824 1.00 32.30 ? 125 ASP A N 1 ATOM 930 C CA . ASP A 1 123 ? -18.717 -29.665 -62.997 1.00 31.68 ? 125 ASP A CA 1 ATOM 931 C C . ASP A 1 123 ? -19.316 -30.806 -62.175 1.00 36.52 ? 125 ASP A C 1 ATOM 932 O O . ASP A 1 123 ? -19.776 -30.589 -61.049 1.00 38.51 ? 125 ASP A O 1 ATOM 933 C CB . ASP A 1 123 ? -19.068 -29.813 -64.484 1.00 38.53 ? 125 ASP A CB 1 ATOM 934 C CG . ASP A 1 123 ? -20.574 -29.775 -64.761 1.00 39.79 ? 125 ASP A CG 1 ATOM 935 O OD1 . ASP A 1 123 ? -21.395 -29.948 -63.832 1.00 44.80 ? 125 ASP A OD1 1 ATOM 936 O OD2 . ASP A 1 123 ? -20.941 -29.588 -65.942 1.00 43.44 ? 125 ASP A OD2 1 ATOM 937 N N . CYS A 1 124 ? -19.326 -32.006 -62.755 1.00 31.95 ? 126 CYS A N 1 ATOM 938 C CA . CYS A 1 124 ? -19.834 -33.208 -62.093 1.00 35.90 ? 126 CYS A CA 1 ATOM 939 C C . CYS A 1 124 ? -21.246 -33.046 -61.518 1.00 35.47 ? 126 CYS A C 1 ATOM 940 O O . CYS A 1 124 ? -21.514 -33.493 -60.404 1.00 35.06 ? 126 CYS A O 1 ATOM 941 C CB . CYS A 1 124 ? -18.877 -33.636 -60.972 1.00 36.99 ? 126 CYS A CB 1 ATOM 942 S SG . CYS A 1 124 ? -17.155 -33.898 -61.482 1.00 37.90 ? 126 CYS A SG 1 ATOM 943 N N . PHE A 1 125 ? -22.134 -32.404 -62.278 1.00 35.41 ? 127 PHE A N 1 ATOM 944 C CA . PHE A 1 125 ? -23.521 -32.148 -61.858 1.00 41.20 ? 127 PHE A CA 1 ATOM 945 C C . PHE A 1 125 ? -23.660 -31.249 -60.624 1.00 37.30 ? 127 PHE A C 1 ATOM 946 O O . PHE A 1 125 ? -24.742 -31.169 -60.044 1.00 31.78 ? 127 PHE A O 1 ATOM 947 C CB . PHE A 1 125 ? -24.267 -33.460 -61.575 1.00 40.15 ? 127 PHE A CB 1 ATOM 948 C CG . PHE A 1 125 ? -24.392 -34.361 -62.763 1.00 48.34 ? 127 PHE A CG 1 ATOM 949 C CD1 . PHE A 1 125 ? -25.045 -33.934 -63.908 1.00 48.73 ? 127 PHE A CD1 1 ATOM 950 C CD2 . PHE A 1 125 ? -23.875 -35.649 -62.726 1.00 48.65 ? 127 PHE A CD2 1 ATOM 951 C CE1 . PHE A 1 125 ? -25.167 -34.772 -65.008 1.00 54.26 ? 127 PHE A CE1 1 ATOM 952 C CE2 . PHE A 1 125 ? -23.994 -36.490 -63.817 1.00 52.15 ? 127 PHE A CE2 1 ATOM 953 C CZ . PHE A 1 125 ? -24.641 -36.052 -64.963 1.00 51.87 ? 127 PHE A CZ 1 ATOM 954 N N . GLY A 1 126 ? -22.580 -30.586 -60.214 1.00 36.39 ? 128 GLY A N 1 ATOM 955 C CA . GLY A 1 126 ? -22.628 -29.732 -59.037 1.00 26.97 ? 128 GLY A CA 1 ATOM 956 C C . GLY A 1 126 ? -23.658 -28.621 -59.176 1.00 27.82 ? 128 GLY A C 1 ATOM 957 O O . GLY A 1 126 ? -23.674 -27.890 -60.164 1.00 29.69 ? 128 GLY A O 1 ATOM 958 N N . SER A 1 127 ? -24.533 -28.498 -58.188 1.00 34.72 ? 129 SER A N 1 ATOM 959 C CA . SER A 1 127 ? -25.538 -27.446 -58.205 1.00 29.34 ? 129 SER A CA 1 ATOM 960 C C . SER A 1 127 ? -24.875 -26.095 -58.066 1.00 30.16 ? 129 SER A C 1 ATOM 961 O O . SER A 1 127 ? -25.211 -25.152 -58.780 1.00 33.17 ? 129 SER A O 1 ATOM 962 C CB . SER A 1 127 ? -26.557 -27.645 -57.084 1.00 34.86 ? 129 SER A CB 1 ATOM 963 O OG . SER A 1 127 ? -27.250 -26.441 -56.818 1.00 32.46 ? 129 SER A OG 1 ATOM 964 N N . ASN A 1 128 ? -23.921 -26.018 -57.145 1.00 24.99 ? 130 ASN A N 1 ATOM 965 C CA . ASN A 1 128 ? -23.210 -24.785 -56.847 1.00 21.67 ? 130 ASN A CA 1 ATOM 966 C C . ASN A 1 128 ? -22.047 -25.112 -55.908 1.00 24.85 ? 130 ASN A C 1 ATOM 967 O O . ASN A 1 128 ? -22.216 -25.175 -54.686 1.00 24.58 ? 130 ASN A O 1 ATOM 968 C CB . ASN A 1 128 ? -24.168 -23.760 -56.231 1.00 18.20 ? 130 ASN A CB 1 ATOM 969 C CG . ASN A 1 128 ? -23.507 -22.425 -55.930 1.00 24.40 ? 130 ASN A CG 1 ATOM 970 O OD1 . ASN A 1 128 ? -22.289 -22.261 -56.041 1.00 25.94 ? 130 ASN A OD1 1 ATOM 971 N ND2 . ASN A 1 128 ? -24.314 -21.460 -55.531 1.00 25.40 ? 130 ASN A ND2 1 ATOM 972 N N . TRP A 1 129 ? -20.870 -25.333 -56.489 1.00 23.21 ? 131 TRP A N 1 ATOM 973 C CA . TRP A 1 129 ? -19.710 -25.796 -55.730 1.00 20.68 ? 131 TRP A CA 1 ATOM 974 C C . TRP A 1 129 ? -19.218 -24.739 -54.759 1.00 21.34 ? 131 TRP A C 1 ATOM 975 O O . TRP A 1 129 ? -18.683 -25.070 -53.711 1.00 22.50 ? 131 TRP A O 1 ATOM 976 C CB . TRP A 1 129 ? -18.576 -26.228 -56.665 1.00 15.83 ? 131 TRP A CB 1 ATOM 977 C CG . TRP A 1 129 ? -18.865 -27.537 -57.368 1.00 26.28 ? 131 TRP A CG 1 ATOM 978 C CD1 . TRP A 1 129 ? -19.000 -27.737 -58.719 1.00 25.32 ? 131 TRP A CD1 1 ATOM 979 C CD2 . TRP A 1 129 ? -19.084 -28.816 -56.753 1.00 20.18 ? 131 TRP A CD2 1 ATOM 980 N NE1 . TRP A 1 129 ? -19.271 -29.063 -58.977 1.00 26.85 ? 131 TRP A NE1 1 ATOM 981 C CE2 . TRP A 1 129 ? -19.334 -29.744 -57.787 1.00 24.28 ? 131 TRP A CE2 1 ATOM 982 C CE3 . TRP A 1 129 ? -19.090 -29.267 -55.429 1.00 21.95 ? 131 TRP A CE3 1 ATOM 983 C CZ2 . TRP A 1 129 ? -19.587 -31.092 -57.536 1.00 24.41 ? 131 TRP A CZ2 1 ATOM 984 C CZ3 . TRP A 1 129 ? -19.339 -30.604 -55.182 1.00 21.55 ? 131 TRP A CZ3 1 ATOM 985 C CH2 . TRP A 1 129 ? -19.587 -31.502 -56.230 1.00 25.03 ? 131 TRP A CH2 1 ATOM 986 N N . THR A 1 130 ? -19.411 -23.471 -55.103 1.00 25.21 ? 132 THR A N 1 ATOM 987 C CA . THR A 1 130 ? -19.096 -22.382 -54.189 1.00 25.06 ? 132 THR A CA 1 ATOM 988 C C . THR A 1 130 ? -19.914 -22.495 -52.890 1.00 27.67 ? 132 THR A C 1 ATOM 989 O O . THR A 1 130 ? -19.358 -22.375 -51.804 1.00 25.90 ? 132 THR A O 1 ATOM 990 C CB . THR A 1 130 ? -19.333 -21.005 -54.848 1.00 25.52 ? 132 THR A CB 1 ATOM 991 O OG1 . THR A 1 130 ? -18.542 -20.906 -56.041 1.00 27.77 ? 132 THR A OG1 1 ATOM 992 C CG2 . THR A 1 130 ? -18.931 -19.873 -53.904 1.00 22.24 ? 132 THR A CG2 1 ATOM 993 N N . GLN A 1 131 ? -21.222 -22.736 -53.004 1.00 33.63 ? 133 GLN A N 1 ATOM 994 C CA . GLN A 1 131 ? -22.080 -22.974 -51.836 1.00 30.41 ? 133 GLN A CA 1 ATOM 995 C C . GLN A 1 131 ? -21.632 -24.210 -51.042 1.00 33.32 ? 133 GLN A C 1 ATOM 996 O O . GLN A 1 131 ? -21.532 -24.173 -49.803 1.00 28.00 ? 133 GLN A O 1 ATOM 997 C CB . GLN A 1 131 ? -23.539 -23.144 -52.268 1.00 34.05 ? 133 GLN A CB 1 ATOM 998 C CG . GLN A 1 131 ? -24.488 -23.547 -51.144 1.00 30.85 ? 133 GLN A CG 1 ATOM 999 C CD . GLN A 1 131 ? -24.450 -22.578 -49.971 1.00 43.28 ? 133 GLN A CD 1 ATOM 1000 O OE1 . GLN A 1 131 ? -24.856 -21.422 -50.094 1.00 47.83 ? 133 GLN A OE1 1 ATOM 1001 N NE2 . GLN A 1 131 ? -23.967 -23.047 -48.825 1.00 40.46 ? 133 GLN A NE2 1 ATOM 1002 N N . THR A 1 132 ? -21.378 -25.301 -51.764 1.00 20.26 ? 134 THR A N 1 ATOM 1003 C CA . THR A 1 132 ? -20.835 -26.521 -51.172 1.00 22.48 ? 134 THR A CA 1 ATOM 1004 C C . THR A 1 132 ? -19.527 -26.242 -50.433 1.00 22.31 ? 134 THR A C 1 ATOM 1005 O O . THR A 1 132 ? -19.302 -26.753 -49.332 1.00 19.89 ? 134 THR A O 1 ATOM 1006 C CB . THR A 1 132 ? -20.592 -27.598 -52.244 1.00 21.79 ? 134 THR A CB 1 ATOM 1007 O OG1 . THR A 1 132 ? -21.849 -28.032 -52.776 1.00 24.98 ? 134 THR A OG1 1 ATOM 1008 C CG2 . THR A 1 132 ? -19.845 -28.797 -51.657 1.00 18.63 ? 134 THR A CG2 1 ATOM 1009 N N . LYS A 1 133 ? -18.682 -25.419 -51.054 1.00 19.50 ? 135 LYS A N 1 ATOM 1010 C CA . LYS A 1 133 ? -17.383 -25.042 -50.512 1.00 18.10 ? 135 LYS A CA 1 ATOM 1011 C C . LYS A 1 133 ? -17.532 -24.333 -49.171 1.00 19.75 ? 135 LYS A C 1 ATOM 1012 O O . LYS A 1 133 ? -16.889 -24.698 -48.185 1.00 18.14 ? 135 LYS A O 1 ATOM 1013 C CB . LYS A 1 133 ? -16.635 -24.143 -51.507 1.00 15.63 ? 135 LYS A CB 1 ATOM 1014 C CG . LYS A 1 133 ? -15.218 -23.757 -51.101 1.00 18.95 ? 135 LYS A CG 1 ATOM 1015 C CD . LYS A 1 133 ? -14.495 -22.995 -52.225 1.00 14.82 ? 135 LYS A CD 1 ATOM 1016 C CE . LYS A 1 133 ? -13.124 -22.528 -51.784 1.00 17.43 ? 135 LYS A CE 1 ATOM 1017 N NZ . LYS A 1 133 ? -12.345 -21.841 -52.854 1.00 18.53 ? 135 LYS A NZ 1 ATOM 1018 N N . LYS A 1 134 ? -18.388 -23.319 -49.149 1.00 21.49 ? 136 LYS A N 1 ATOM 1019 C CA . LYS A 1 134 ? -18.663 -22.551 -47.945 1.00 21.81 ? 136 LYS A CA 1 ATOM 1020 C C . LYS A 1 134 ? -19.194 -23.437 -46.812 1.00 21.05 ? 136 LYS A C 1 ATOM 1021 O O . LYS A 1 134 ? -18.758 -23.319 -45.660 1.00 21.55 ? 136 LYS A O 1 ATOM 1022 C CB . LYS A 1 134 ? -19.654 -21.437 -48.271 1.00 22.03 ? 136 LYS A CB 1 ATOM 1023 C CG . LYS A 1 134 ? -20.115 -20.625 -47.084 1.00 25.54 ? 136 LYS A CG 1 ATOM 1024 C CD . LYS A 1 134 ? -21.120 -19.581 -47.540 1.00 29.94 ? 136 LYS A CD 1 ATOM 1025 C CE . LYS A 1 134 ? -21.580 -18.707 -46.396 1.00 28.21 ? 136 LYS A CE 1 ATOM 1026 N NZ . LYS A 1 134 ? -22.325 -17.513 -46.893 1.00 29.84 ? 136 LYS A NZ 1 ATOM 1027 N N . ASP A 1 135 ? -20.113 -24.339 -47.153 1.00 21.28 ? 137 ASP A N 1 ATOM 1028 C CA . ASP A 1 135 ? -20.728 -25.240 -46.180 1.00 24.61 ? 137 ASP A CA 1 ATOM 1029 C C . ASP A 1 135 ? -19.696 -26.248 -45.665 1.00 28.23 ? 137 ASP A C 1 ATOM 1030 O O . ASP A 1 135 ? -19.714 -26.629 -44.490 1.00 27.49 ? 137 ASP A O 1 ATOM 1031 C CB . ASP A 1 135 ? -21.945 -25.951 -46.809 1.00 28.66 ? 137 ASP A CB 1 ATOM 1032 C CG . ASP A 1 135 ? -22.388 -27.189 -46.028 1.00 39.43 ? 137 ASP A CG 1 ATOM 1033 O OD1 . ASP A 1 135 ? -23.263 -27.079 -45.139 1.00 41.42 ? 137 ASP A OD1 1 ATOM 1034 O OD2 . ASP A 1 135 ? -21.853 -28.287 -46.302 1.00 44.41 ? 137 ASP A OD2 1 ATOM 1035 N N . PHE A 1 136 ? -18.783 -26.657 -46.541 1.00 19.19 ? 138 PHE A N 1 ATOM 1036 C CA . PHE A 1 136 ? -17.762 -27.643 -46.182 1.00 21.79 ? 138 PHE A CA 1 ATOM 1037 C C . PHE A 1 136 ? -16.746 -27.082 -45.197 1.00 18.29 ? 138 PHE A C 1 ATOM 1038 O O . PHE A 1 136 ? -16.481 -27.679 -44.150 1.00 18.54 ? 138 PHE A O 1 ATOM 1039 C CB . PHE A 1 136 ? -17.037 -28.153 -47.436 1.00 19.89 ? 138 PHE A CB 1 ATOM 1040 C CG . PHE A 1 136 ? -15.769 -28.899 -47.137 1.00 18.39 ? 138 PHE A CG 1 ATOM 1041 C CD1 . PHE A 1 136 ? -15.813 -30.187 -46.622 1.00 18.81 ? 138 PHE A CD1 1 ATOM 1042 C CD2 . PHE A 1 136 ? -14.535 -28.312 -47.360 1.00 16.44 ? 138 PHE A CD2 1 ATOM 1043 C CE1 . PHE A 1 136 ? -14.648 -30.875 -46.339 1.00 16.56 ? 138 PHE A CE1 1 ATOM 1044 C CE2 . PHE A 1 136 ? -13.371 -28.992 -47.078 1.00 18.79 ? 138 PHE A CE2 1 ATOM 1045 C CZ . PHE A 1 136 ? -13.429 -30.282 -46.572 1.00 15.70 ? 138 PHE A CZ 1 ATOM 1046 N N . TYR A 1 137 ? -16.173 -25.935 -45.544 1.00 15.37 ? 139 TYR A N 1 ATOM 1047 C CA . TYR A 1 137 ? -15.183 -25.279 -44.700 1.00 15.20 ? 139 TYR A CA 1 ATOM 1048 C C . TYR A 1 137 ? -15.808 -24.762 -43.406 1.00 17.00 ? 139 TYR A C 1 ATOM 1049 O O . TYR A 1 137 ? -15.145 -24.717 -42.374 1.00 16.51 ? 139 TYR A O 1 ATOM 1050 C CB . TYR A 1 137 ? -14.485 -24.150 -45.470 1.00 15.38 ? 139 TYR A CB 1 ATOM 1051 C CG . TYR A 1 137 ? -13.420 -24.673 -46.404 1.00 12.87 ? 139 TYR A CG 1 ATOM 1052 C CD1 . TYR A 1 137 ? -12.158 -25.007 -45.923 1.00 13.31 ? 139 TYR A CD1 1 ATOM 1053 C CD2 . TYR A 1 137 ? -13.680 -24.865 -47.756 1.00 16.12 ? 139 TYR A CD2 1 ATOM 1054 C CE1 . TYR A 1 137 ? -11.171 -25.498 -46.760 1.00 12.13 ? 139 TYR A CE1 1 ATOM 1055 C CE2 . TYR A 1 137 ? -12.701 -25.363 -48.607 1.00 19.08 ? 139 TYR A CE2 1 ATOM 1056 C CZ . TYR A 1 137 ? -11.441 -25.680 -48.103 1.00 17.50 ? 139 TYR A CZ 1 ATOM 1057 O OH . TYR A 1 137 ? -10.453 -26.179 -48.934 1.00 14.10 ? 139 TYR A OH 1 ATOM 1058 N N . SER A 1 138 ? -17.087 -24.404 -43.451 1.00 19.61 ? 140 SER A N 1 ATOM 1059 C CA . SER A 1 138 ? -17.814 -24.108 -42.219 1.00 23.84 ? 140 SER A CA 1 ATOM 1060 C C . SER A 1 138 ? -17.741 -25.276 -41.230 1.00 20.93 ? 140 SER A C 1 ATOM 1061 O O . SER A 1 138 ? -17.462 -25.064 -40.051 1.00 20.55 ? 140 SER A O 1 ATOM 1062 C CB . SER A 1 138 ? -19.281 -23.767 -42.509 1.00 23.00 ? 140 SER A CB 1 ATOM 1063 O OG . SER A 1 138 ? -19.403 -22.477 -43.078 1.00 22.80 ? 140 SER A OG 1 ATOM 1064 N N . ARG A 1 139 ? -17.982 -26.498 -41.710 1.00 21.60 ? 141 ARG A N 1 ATOM 1065 C CA . ARG A 1 139 ? -18.004 -27.675 -40.836 1.00 22.32 ? 141 ARG A CA 1 ATOM 1066 C C . ARG A 1 139 ? -16.609 -28.081 -40.363 1.00 19.38 ? 141 ARG A C 1 ATOM 1067 O O . ARG A 1 139 ? -16.441 -28.532 -39.235 1.00 21.59 ? 141 ARG A O 1 ATOM 1068 C CB . ARG A 1 139 ? -18.677 -28.853 -41.535 1.00 23.88 ? 141 ARG A CB 1 ATOM 1069 C CG . ARG A 1 139 ? -20.187 -28.704 -41.679 1.00 32.83 ? 141 ARG A CG 1 ATOM 1070 C CD . ARG A 1 139 ? -20.822 -28.309 -40.351 1.00 36.91 ? 141 ARG A CD 1 ATOM 1071 N NE . ARG A 1 139 ? -22.283 -28.282 -40.415 1.00 47.26 ? 141 ARG A NE 1 ATOM 1072 C CZ . ARG A 1 139 ? -23.006 -27.197 -40.686 1.00 50.15 ? 141 ARG A CZ 1 ATOM 1073 N NH1 . ARG A 1 139 ? -22.401 -26.034 -40.904 1.00 42.11 ? 141 ARG A NH1 1 ATOM 1074 N NH2 . ARG A 1 139 ? -24.335 -27.274 -40.728 1.00 37.49 ? 141 ARG A NH2 1 ATOM 1075 N N . ILE A 1 140 ? -15.618 -27.923 -41.235 1.00 18.17 ? 142 ILE A N 1 ATOM 1076 C CA . ILE A 1 140 ? -14.222 -28.154 -40.883 1.00 16.29 ? 142 ILE A CA 1 ATOM 1077 C C . ILE A 1 140 ? -13.777 -27.233 -39.751 1.00 17.85 ? 142 ILE A C 1 ATOM 1078 O O . ILE A 1 140 ? -13.188 -27.683 -38.763 1.00 14.25 ? 142 ILE A O 1 ATOM 1079 C CB . ILE A 1 140 ? -13.280 -27.921 -42.102 1.00 19.40 ? 142 ILE A CB 1 ATOM 1080 C CG1 . ILE A 1 140 ? -13.474 -29.011 -43.161 1.00 17.43 ? 142 ILE A CG1 1 ATOM 1081 C CG2 . ILE A 1 140 ? -11.832 -27.829 -41.651 1.00 11.54 ? 142 ILE A CG2 1 ATOM 1082 C CD1 . ILE A 1 140 ? -13.267 -30.411 -42.625 1.00 15.67 ? 142 ILE A CD1 1 ATOM 1083 N N . TYR A 1 141 ? -14.043 -25.937 -39.921 1.00 16.44 ? 143 TYR A N 1 ATOM 1084 C CA . TYR A 1 141 ? -13.594 -24.926 -38.968 1.00 17.76 ? 143 TYR A CA 1 ATOM 1085 C C . TYR A 1 141 ? -14.280 -25.139 -37.624 1.00 15.97 ? 143 TYR A C 1 ATOM 1086 O O . TYR A 1 141 ? -13.663 -25.025 -36.569 1.00 17.36 ? 143 TYR A O 1 ATOM 1087 C CB . TYR A 1 141 ? -13.886 -23.511 -39.484 1.00 15.46 ? 143 TYR A CB 1 ATOM 1088 C CG . TYR A 1 141 ? -13.242 -23.157 -40.803 1.00 16.11 ? 143 TYR A CG 1 ATOM 1089 C CD1 . TYR A 1 141 ? -12.126 -23.849 -41.270 1.00 17.20 ? 143 TYR A CD1 1 ATOM 1090 C CD2 . TYR A 1 141 ? -13.751 -22.125 -41.587 1.00 13.75 ? 143 TYR A CD2 1 ATOM 1091 C CE1 . TYR A 1 141 ? -11.534 -23.518 -42.487 1.00 17.22 ? 143 TYR A CE1 1 ATOM 1092 C CE2 . TYR A 1 141 ? -13.171 -21.786 -42.792 1.00 14.99 ? 143 TYR A CE2 1 ATOM 1093 C CZ . TYR A 1 141 ? -12.065 -22.488 -43.243 1.00 18.27 ? 143 TYR A CZ 1 ATOM 1094 O OH . TYR A 1 141 ? -11.489 -22.159 -44.450 1.00 18.54 ? 143 TYR A OH 1 ATOM 1095 N N . GLU A 1 142 ? -15.566 -25.451 -37.686 1.00 21.11 ? 144 GLU A N 1 ATOM 1096 C CA . GLU A 1 142 ? -16.375 -25.713 -36.506 1.00 26.61 ? 144 GLU A CA 1 ATOM 1097 C C . GLU A 1 142 ? -15.822 -26.899 -35.708 1.00 25.88 ? 144 GLU A C 1 ATOM 1098 O O . GLU A 1 142 ? -15.681 -26.823 -34.489 1.00 28.30 ? 144 GLU A O 1 ATOM 1099 C CB . GLU A 1 142 ? -17.820 -25.957 -36.939 1.00 25.50 ? 144 GLU A CB 1 ATOM 1100 C CG . GLU A 1 142 ? -18.798 -26.393 -35.870 1.00 29.99 ? 144 GLU A CG 1 ATOM 1101 C CD . GLU A 1 142 ? -20.172 -26.681 -36.476 1.00 41.90 ? 144 GLU A CD 1 ATOM 1102 O OE1 . GLU A 1 142 ? -20.447 -26.179 -37.602 1.00 38.27 ? 144 GLU A OE1 1 ATOM 1103 O OE2 . GLU A 1 142 ? -20.970 -27.407 -35.838 1.00 43.71 ? 144 GLU A OE2 1 ATOM 1104 N N . ALA A 1 143 ? -15.484 -27.982 -36.401 1.00 19.01 ? 145 ALA A N 1 ATOM 1105 C CA . ALA A 1 143 ? -14.943 -29.164 -35.733 1.00 23.17 ? 145 ALA A CA 1 ATOM 1106 C C . ALA A 1 143 ? -13.481 -28.964 -35.304 1.00 21.74 ? 145 ALA A C 1 ATOM 1107 O O . ALA A 1 143 ? -13.062 -29.471 -34.261 1.00 20.03 ? 145 ALA A O 1 ATOM 1108 C CB . ALA A 1 143 ? -15.072 -30.394 -36.638 1.00 18.21 ? 145 ALA A CB 1 ATOM 1109 N N . ALA A 1 144 ? -12.715 -28.218 -36.097 1.00 14.69 ? 146 ALA A N 1 ATOM 1110 C CA . ALA A 1 144 ? -11.301 -27.991 -35.790 1.00 16.87 ? 146 ALA A CA 1 ATOM 1111 C C . ALA A 1 144 ? -11.076 -27.103 -34.565 1.00 18.57 ? 146 ALA A C 1 ATOM 1112 O O . ALA A 1 144 ? -10.053 -27.243 -33.882 1.00 16.81 ? 146 ALA A O 1 ATOM 1113 C CB . ALA A 1 144 ? -10.583 -27.395 -36.992 1.00 12.56 ? 146 ALA A CB 1 ATOM 1114 N N . ARG A 1 145 ? -12.004 -26.193 -34.274 1.00 20.17 ? 147 ARG A N 1 ATOM 1115 C CA . ARG A 1 145 ? -11.788 -25.292 -33.141 1.00 20.83 ? 147 ARG A CA 1 ATOM 1116 C C . ARG A 1 145 ? -11.765 -26.085 -31.830 1.00 20.14 ? 147 ARG A C 1 ATOM 1117 O O . ARG A 1 145 ? -11.075 -25.699 -30.893 1.00 21.77 ? 147 ARG A O 1 ATOM 1118 C CB . ARG A 1 145 ? -12.853 -24.187 -33.093 1.00 21.10 ? 147 ARG A CB 1 ATOM 1119 C CG . ARG A 1 145 ? -13.967 -24.414 -32.096 1.00 23.54 ? 147 ARG A CG 1 ATOM 1120 C CD . ARG A 1 145 ? -15.275 -23.878 -32.657 1.00 35.72 ? 147 ARG A CD 1 ATOM 1121 N NE . ARG A 1 145 ? -16.457 -24.465 -32.022 1.00 39.76 ? 147 ARG A NE 1 ATOM 1122 C CZ . ARG A 1 145 ? -17.701 -24.124 -32.334 1.00 35.64 ? 147 ARG A CZ 1 ATOM 1123 N NH1 . ARG A 1 145 ? -18.726 -24.702 -31.720 1.00 48.99 ? 147 ARG A NH1 1 ATOM 1124 N NH2 . ARG A 1 145 ? -17.914 -23.206 -33.272 1.00 34.99 ? 147 ARG A NH2 1 ATOM 1125 N N . SER A 1 146 ? -12.476 -27.211 -31.790 1.00 18.89 ? 148 SER A N 1 ATOM 1126 C CA . SER A 1 146 ? -12.564 -28.035 -30.584 1.00 20.19 ? 148 SER A CA 1 ATOM 1127 C C . SER A 1 146 ? -11.657 -29.259 -30.632 1.00 23.18 ? 148 SER A C 1 ATOM 1128 O O . SER A 1 146 ? -11.706 -30.115 -29.747 1.00 22.85 ? 148 SER A O 1 ATOM 1129 C CB . SER A 1 146 ? -14.001 -28.497 -30.354 1.00 15.87 ? 148 SER A CB 1 ATOM 1130 O OG . SER A 1 146 ? -14.864 -27.396 -30.176 1.00 21.10 ? 148 SER A OG 1 ATOM 1131 N N . SER A 1 147 ? -10.831 -29.345 -31.664 1.00 19.57 ? 149 SER A N 1 ATOM 1132 C CA . SER A 1 147 ? -10.005 -30.519 -31.852 1.00 16.33 ? 149 SER A CA 1 ATOM 1133 C C . SER A 1 147 ? -8.526 -30.190 -31.744 1.00 17.00 ? 149 SER A C 1 ATOM 1134 O O . SER A 1 147 ? -8.093 -29.088 -32.094 1.00 17.86 ? 149 SER A O 1 ATOM 1135 C CB . SER A 1 147 ? -10.307 -31.154 -33.212 1.00 18.12 ? 149 SER A CB 1 ATOM 1136 O OG . SER A 1 147 ? -9.736 -32.441 -33.302 1.00 18.67 ? 149 SER A OG 1 ATOM 1137 N N . THR A 1 148 ? -7.751 -31.158 -31.269 1.00 20.64 ? 150 THR A N 1 ATOM 1138 C CA . THR A 1 148 ? -6.294 -31.060 -31.266 1.00 15.76 ? 150 THR A CA 1 ATOM 1139 C C . THR A 1 148 ? -5.714 -31.454 -32.626 1.00 20.70 ? 150 THR A C 1 ATOM 1140 O O . THR A 1 148 ? -4.764 -30.829 -33.115 1.00 21.76 ? 150 THR A O 1 ATOM 1141 C CB . THR A 1 148 ? -5.678 -31.960 -30.178 1.00 19.91 ? 150 THR A CB 1 ATOM 1142 O OG1 . THR A 1 148 ? -6.196 -31.577 -28.899 1.00 21.17 ? 150 THR A OG1 1 ATOM 1143 C CG2 . THR A 1 148 ? -4.143 -31.859 -30.169 1.00 15.61 ? 150 THR A CG2 1 ATOM 1144 N N . CYS A 1 149 ? -6.293 -32.488 -33.235 1.00 16.68 ? 151 CYS A N 1 ATOM 1145 C CA . CYS A 1 149 ? -5.762 -33.036 -34.483 1.00 18.55 ? 151 CYS A CA 1 ATOM 1146 C C . CYS A 1 149 ? -6.806 -33.068 -35.590 1.00 20.60 ? 151 CYS A C 1 ATOM 1147 O O . CYS A 1 149 ? -7.982 -32.812 -35.357 1.00 20.01 ? 151 CYS A O 1 ATOM 1148 C CB . CYS A 1 149 ? -5.223 -34.451 -34.261 1.00 16.50 ? 151 CYS A CB 1 ATOM 1149 S SG . CYS A 1 149 ? -4.006 -34.597 -32.912 1.00 25.92 ? 151 CYS A SG 1 ATOM 1150 N N . MET A 1 150 ? -6.357 -33.397 -36.795 1.00 23.47 ? 152 MET A N 1 ATOM 1151 C CA . MET A 1 150 ? -7.227 -33.555 -37.954 1.00 22.01 ? 152 MET A CA 1 ATOM 1152 C C . MET A 1 150 ? -6.578 -34.508 -38.942 1.00 24.27 ? 152 MET A C 1 ATOM 1153 O O . MET A 1 150 ? -5.377 -34.423 -39.187 1.00 25.72 ? 152 MET A O 1 ATOM 1154 C CB . MET A 1 150 ? -7.491 -32.206 -38.636 1.00 20.21 ? 152 MET A CB 1 ATOM 1155 C CG . MET A 1 150 ? -8.414 -32.287 -39.851 1.00 17.45 ? 152 MET A CG 1 ATOM 1156 S SD . MET A 1 150 ? -8.544 -30.722 -40.767 1.00 25.37 ? 152 MET A SD 1 ATOM 1157 C CE . MET A 1 150 ? -7.094 -30.800 -41.822 1.00 17.73 ? 152 MET A CE 1 ATOM 1158 N N . THR A 1 151 ? -7.356 -35.411 -39.523 1.00 19.34 ? 153 THR A N 1 ATOM 1159 C CA . THR A 1 151 ? -6.837 -36.192 -40.639 1.00 18.30 ? 153 THR A CA 1 ATOM 1160 C C . THR A 1 151 ? -7.923 -36.463 -41.669 1.00 19.01 ? 153 THR A C 1 ATOM 1161 O O . THR A 1 151 ? -9.089 -36.666 -41.328 1.00 18.19 ? 153 THR A O 1 ATOM 1162 C CB . THR A 1 151 ? -6.235 -37.546 -40.180 1.00 17.20 ? 153 THR A CB 1 ATOM 1163 O OG1 . THR A 1 151 ? -5.771 -38.271 -41.325 1.00 18.39 ? 153 THR A OG1 1 ATOM 1164 C CG2 . THR A 1 151 ? -7.277 -38.395 -39.467 1.00 16.64 ? 153 THR A CG2 1 ATOM 1165 N N . LEU A 1 152 ? -7.538 -36.441 -42.938 1.00 21.77 ? 154 LEU A N 1 ATOM 1166 C CA . LEU A 1 152 ? -8.384 -37.011 -43.964 1.00 21.79 ? 154 LEU A CA 1 ATOM 1167 C C . LEU A 1 152 ? -8.569 -38.497 -43.662 1.00 23.62 ? 154 LEU A C 1 ATOM 1168 O O . LEU A 1 152 ? -7.634 -39.171 -43.215 1.00 19.80 ? 154 LEU A O 1 ATOM 1169 C CB . LEU A 1 152 ? -7.779 -36.818 -45.360 1.00 20.68 ? 154 LEU A CB 1 ATOM 1170 C CG . LEU A 1 152 ? -8.642 -37.355 -46.514 1.00 21.77 ? 154 LEU A CG 1 ATOM 1171 C CD1 . LEU A 1 152 ? -9.914 -36.542 -46.652 1.00 19.76 ? 154 LEU A CD1 1 ATOM 1172 C CD2 . LEU A 1 152 ? -7.878 -37.362 -47.832 1.00 24.84 ? 154 LEU A CD2 1 ATOM 1173 N N . VAL A 1 153 ? -9.788 -38.982 -43.865 1.00 18.82 ? 155 VAL A N 1 ATOM 1174 C CA . VAL A 1 153 ? -10.059 -40.408 -43.899 1.00 17.39 ? 155 VAL A CA 1 ATOM 1175 C C . VAL A 1 153 ? -10.387 -40.735 -45.350 1.00 16.61 ? 155 VAL A C 1 ATOM 1176 O O . VAL A 1 153 ? -11.509 -40.524 -45.802 1.00 20.42 ? 155 VAL A O 1 ATOM 1177 C CB . VAL A 1 153 ? -11.225 -40.804 -42.960 1.00 18.21 ? 155 VAL A CB 1 ATOM 1178 C CG1 . VAL A 1 153 ? -11.588 -42.269 -43.135 1.00 14.07 ? 155 VAL A CG1 1 ATOM 1179 C CG2 . VAL A 1 153 ? -10.865 -40.507 -41.514 1.00 17.51 ? 155 VAL A CG2 1 ATOM 1180 N N . ASN A 1 154 ? -9.400 -41.244 -46.079 1.00 19.31 ? 156 ASN A N 1 ATOM 1181 C CA . ASN A 1 154 ? -9.504 -41.371 -47.532 1.00 23.76 ? 156 ASN A CA 1 ATOM 1182 C C . ASN A 1 154 ? -10.349 -42.552 -48.020 1.00 24.05 ? 156 ASN A C 1 ATOM 1183 O O . ASN A 1 154 ? -10.581 -42.697 -49.224 1.00 24.59 ? 156 ASN A O 1 ATOM 1184 C CB . ASN A 1 154 ? -8.098 -41.448 -48.142 1.00 22.77 ? 156 ASN A CB 1 ATOM 1185 C CG . ASN A 1 154 ? -7.411 -42.766 -47.861 1.00 21.61 ? 156 ASN A CG 1 ATOM 1186 O OD1 . ASN A 1 154 ? -7.591 -43.361 -46.801 1.00 25.91 ? 156 ASN A OD1 1 ATOM 1187 N ND2 . ASN A 1 154 ? -6.612 -43.227 -48.810 1.00 23.66 ? 156 ASN A ND2 1 ATOM 1188 N N . SER A 1 155 ? -10.821 -43.388 -47.100 1.00 20.02 ? 157 SER A N 1 ATOM 1189 C CA . SER A 1 155 ? -11.699 -44.492 -47.487 1.00 19.36 ? 157 SER A CA 1 ATOM 1190 C C . SER A 1 155 ? -12.528 -45.022 -46.321 1.00 24.83 ? 157 SER A C 1 ATOM 1191 O O . SER A 1 155 ? -11.993 -45.590 -45.366 1.00 26.07 ? 157 SER A O 1 ATOM 1192 C CB . SER A 1 155 ? -10.883 -45.632 -48.103 1.00 18.33 ? 157 SER A CB 1 ATOM 1193 O OG . SER A 1 155 ? -11.726 -46.614 -48.676 1.00 27.84 ? 157 SER A OG 1 ATOM 1194 N N . LEU A 1 156 ? -13.838 -44.818 -46.415 1.00 23.28 ? 158 LEU A N 1 ATOM 1195 C CA . LEU A 1 156 ? -14.813 -45.373 -45.484 1.00 20.00 ? 158 LEU A CA 1 ATOM 1196 C C . LEU A 1 156 ? -15.195 -46.799 -45.894 1.00 23.80 ? 158 LEU A C 1 ATOM 1197 O O . LEU A 1 156 ? -15.288 -47.100 -47.083 1.00 20.09 ? 158 LEU A O 1 ATOM 1198 C CB . LEU A 1 156 ? -16.072 -44.496 -45.456 1.00 23.27 ? 158 LEU A CB 1 ATOM 1199 C CG . LEU A 1 156 ? -16.321 -43.360 -44.455 1.00 24.89 ? 158 LEU A CG 1 ATOM 1200 C CD1 . LEU A 1 156 ? -15.052 -42.772 -43.897 1.00 17.75 ? 158 LEU A CD1 1 ATOM 1201 C CD2 . LEU A 1 156 ? -17.194 -42.284 -45.092 1.00 19.10 ? 158 LEU A CD2 1 ATOM 1202 N N . ASP A 1 157 ? -15.432 -47.672 -44.920 1.00 21.10 ? 159 ASP A N 1 ATOM 1203 C CA . ASP A 1 157 ? -15.974 -48.991 -45.230 1.00 26.62 ? 159 ASP A CA 1 ATOM 1204 C C . ASP A 1 157 ? -17.426 -48.842 -45.695 1.00 27.83 ? 159 ASP A C 1 ATOM 1205 O O . ASP A 1 157 ? -18.267 -48.310 -44.968 1.00 26.45 ? 159 ASP A O 1 ATOM 1206 C CB . ASP A 1 157 ? -15.877 -49.924 -44.015 1.00 26.38 ? 159 ASP A CB 1 ATOM 1207 C CG . ASP A 1 157 ? -14.433 -50.287 -43.666 1.00 24.85 ? 159 ASP A CG 1 ATOM 1208 O OD1 . ASP A 1 157 ? -14.223 -51.181 -42.827 1.00 28.08 ? 159 ASP A OD1 1 ATOM 1209 O OD2 . ASP A 1 157 ? -13.502 -49.686 -44.239 1.00 31.97 ? 159 ASP A OD2 1 ATOM 1210 N N . THR A 1 158 ? -17.716 -49.293 -46.912 1.00 28.87 ? 160 THR A N 1 ATOM 1211 C CA . THR A 1 158 ? -19.063 -49.153 -47.471 1.00 31.37 ? 160 THR A CA 1 ATOM 1212 C C . THR A 1 158 ? -19.607 -50.477 -47.977 1.00 29.49 ? 160 THR A C 1 ATOM 1213 O O . THR A 1 158 ? -18.861 -51.420 -48.231 1.00 29.31 ? 160 THR A O 1 ATOM 1214 C CB . THR A 1 158 ? -19.113 -48.119 -48.630 1.00 25.34 ? 160 THR A CB 1 ATOM 1215 O OG1 . THR A 1 158 ? -18.033 -48.354 -49.539 1.00 25.49 ? 160 THR A OG1 1 ATOM 1216 C CG2 . THR A 1 158 ? -19.000 -46.706 -48.084 1.00 24.01 ? 160 THR A CG2 1 ATOM 1217 N N . LYS A 1 159 ? -20.925 -50.532 -48.122 1.00 36.78 ? 161 LYS A N 1 ATOM 1218 C CA . LYS A 1 159 ? -21.596 -51.754 -48.520 1.00 38.91 ? 161 LYS A CA 1 ATOM 1219 C C . LYS A 1 159 ? -22.955 -51.438 -49.128 1.00 40.07 ? 161 LYS A C 1 ATOM 1220 O O . LYS A 1 159 ? -23.812 -50.830 -48.488 1.00 38.81 ? 161 LYS A O 1 ATOM 1221 C CB . LYS A 1 159 ? -21.744 -52.691 -47.319 1.00 40.83 ? 161 LYS A CB 1 ATOM 1222 C CG . LYS A 1 159 ? -22.425 -54.004 -47.624 1.00 45.32 ? 161 LYS A CG 1 ATOM 1223 C CD . LYS A 1 159 ? -23.169 -54.487 -46.396 1.00 55.89 ? 161 LYS A CD 1 ATOM 1224 C CE . LYS A 1 159 ? -24.213 -53.453 -45.970 1.00 50.58 ? 161 LYS A CE 1 ATOM 1225 N NZ . LYS A 1 159 ? -24.761 -53.730 -44.610 1.00 50.23 ? 161 LYS A NZ 1 ATOM 1226 N N . ILE A 1 160 ? -23.135 -51.854 -50.375 1.00 43.39 ? 162 ILE A N 1 ATOM 1227 C CA . ILE A 1 160 ? -24.381 -51.657 -51.108 1.00 46.26 ? 162 ILE A CA 1 ATOM 1228 C C . ILE A 1 160 ? -25.130 -52.985 -51.180 1.00 48.38 ? 162 ILE A C 1 ATOM 1229 O O . ILE A 1 160 ? -24.526 -54.020 -51.467 1.00 50.14 ? 162 ILE A O 1 ATOM 1230 C CB . ILE A 1 160 ? -24.106 -51.104 -52.531 1.00 47.29 ? 162 ILE A CB 1 ATOM 1231 C CG1 . ILE A 1 160 ? -24.030 -49.583 -52.501 1.00 39.98 ? 162 ILE A CG1 1 ATOM 1232 C CG2 . ILE A 1 160 ? -25.175 -51.530 -53.521 1.00 53.13 ? 162 ILE A CG2 1 ATOM 1233 C CD1 . ILE A 1 160 ? -22.862 -49.042 -51.732 1.00 51.80 ? 162 ILE A CD1 1 ATOM 1234 N N . SER A 1 161 ? -26.433 -52.963 -50.905 1.00 33.25 ? 163 SER A N 1 ATOM 1235 C CA . SER A 1 161 ? -27.234 -54.182 -50.954 1.00 36.36 ? 163 SER A CA 1 ATOM 1236 C C . SER A 1 161 ? -27.461 -54.659 -52.388 1.00 38.62 ? 163 SER A C 1 ATOM 1237 O O . SER A 1 161 ? -27.396 -55.853 -52.668 1.00 45.90 ? 163 SER A O 1 ATOM 1238 C CB . SER A 1 161 ? -28.581 -53.973 -50.258 1.00 36.62 ? 163 SER A CB 1 ATOM 1239 O OG . SER A 1 161 ? -29.352 -52.980 -50.912 1.00 44.70 ? 163 SER A OG 1 ATOM 1240 N N . SER A 1 162 ? -27.717 -53.719 -53.289 1.00 40.28 ? 164 SER A N 1 ATOM 1241 C CA . SER A 1 162 ? -28.064 -54.044 -54.671 1.00 44.24 ? 164 SER A CA 1 ATOM 1242 C C . SER A 1 162 ? -26.969 -54.829 -55.385 1.00 48.42 ? 164 SER A C 1 ATOM 1243 O O . SER A 1 162 ? -25.781 -54.525 -55.263 1.00 48.16 ? 164 SER A O 1 ATOM 1244 C CB . SER A 1 162 ? -28.377 -52.771 -55.453 1.00 41.95 ? 164 SER A CB 1 ATOM 1245 O OG . SER A 1 162 ? -28.510 -53.054 -56.829 1.00 44.28 ? 164 SER A OG 1 ATOM 1246 N N . THR A 1 163 ? -27.383 -55.843 -56.136 1.00 45.15 ? 165 THR A N 1 ATOM 1247 C CA . THR A 1 163 ? -26.444 -56.720 -56.823 1.00 39.85 ? 165 THR A CA 1 ATOM 1248 C C . THR A 1 163 ? -26.390 -56.403 -58.316 1.00 38.10 ? 165 THR A C 1 ATOM 1249 O O . THR A 1 163 ? -25.547 -56.930 -59.040 1.00 34.46 ? 165 THR A O 1 ATOM 1250 C CB . THR A 1 163 ? -26.814 -58.206 -56.614 1.00 40.16 ? 165 THR A CB 1 ATOM 1251 O OG1 . THR A 1 163 ? -28.183 -58.426 -56.984 1.00 40.83 ? 165 THR A OG1 1 ATOM 1252 C CG2 . THR A 1 163 ? -26.639 -58.590 -55.158 1.00 34.70 ? 165 THR A CG2 1 ATOM 1253 N N . THR A 1 164 ? -27.279 -55.522 -58.767 1.00 43.05 ? 166 THR A N 1 ATOM 1254 C CA . THR A 1 164 ? -27.354 -55.158 -60.181 1.00 43.99 ? 166 THR A CA 1 ATOM 1255 C C . THR A 1 164 ? -26.858 -53.739 -60.476 1.00 47.17 ? 166 THR A C 1 ATOM 1256 O O . THR A 1 164 ? -26.417 -53.453 -61.592 1.00 44.87 ? 166 THR A O 1 ATOM 1257 C CB . THR A 1 164 ? -28.784 -55.280 -60.699 1.00 41.57 ? 166 THR A CB 1 ATOM 1258 O OG1 . THR A 1 164 ? -29.627 -54.378 -59.973 1.00 41.14 ? 166 THR A OG1 1 ATOM 1259 C CG2 . THR A 1 164 ? -29.290 -56.707 -60.518 1.00 41.54 ? 166 THR A CG2 1 ATOM 1260 N N . ALA A 1 165 ? -26.940 -52.856 -59.480 1.00 46.18 ? 167 ALA A N 1 ATOM 1261 C CA . ALA A 1 165 ? -26.473 -51.474 -59.619 1.00 45.12 ? 167 ALA A CA 1 ATOM 1262 C C . ALA A 1 165 ? -24.977 -51.399 -59.953 1.00 47.45 ? 167 ALA A C 1 ATOM 1263 O O . ALA A 1 165 ? -24.172 -52.175 -59.426 1.00 43.33 ? 167 ALA A O 1 ATOM 1264 C CB . ALA A 1 165 ? -26.767 -50.685 -58.342 1.00 42.68 ? 167 ALA A CB 1 ATOM 1265 N N . THR A 1 166 ? -24.614 -50.464 -60.829 1.00 39.36 ? 168 THR A N 1 ATOM 1266 C CA . THR A 1 166 ? -23.225 -50.299 -61.253 1.00 38.51 ? 168 THR A CA 1 ATOM 1267 C C . THR A 1 166 ? -22.721 -48.859 -61.043 1.00 37.77 ? 168 THR A C 1 ATOM 1268 O O . THR A 1 166 ? -23.511 -47.938 -60.837 1.00 38.23 ? 168 THR A O 1 ATOM 1269 C CB . THR A 1 166 ? -23.043 -50.685 -62.731 1.00 42.47 ? 168 THR A CB 1 ATOM 1270 O OG1 . THR A 1 166 ? -23.757 -49.761 -63.559 1.00 43.09 ? 168 THR A OG1 1 ATOM 1271 C CG2 . THR A 1 166 ? -23.559 -52.097 -62.986 1.00 41.75 ? 168 THR A CG2 1 ATOM 1272 N N . ALA A 1 167 ? -21.404 -48.679 -61.100 1.00 42.36 ? 169 ALA A N 1 ATOM 1273 C CA . ALA A 1 167 ? -20.764 -47.420 -60.712 1.00 40.29 ? 169 ALA A CA 1 ATOM 1274 C C . ALA A 1 167 ? -20.942 -46.322 -61.755 1.00 40.45 ? 169 ALA A C 1 ATOM 1275 O O . ALA A 1 167 ? -20.491 -46.453 -62.890 1.00 44.00 ? 169 ALA A O 1 ATOM 1276 C CB . ALA A 1 167 ? -19.288 -47.646 -60.447 1.00 32.96 ? 169 ALA A CB 1 ATOM 1277 N N . GLY A 1 168 ? -21.582 -45.231 -61.352 1.00 36.80 ? 170 GLY A N 1 ATOM 1278 C CA . GLY A 1 168 ? -21.914 -44.148 -62.261 1.00 41.82 ? 170 GLY A CA 1 ATOM 1279 C C . GLY A 1 168 ? -20.738 -43.370 -62.832 1.00 44.02 ? 170 GLY A C 1 ATOM 1280 O O . GLY A 1 168 ? -19.689 -43.239 -62.200 1.00 41.15 ? 170 GLY A O 1 ATOM 1281 N N . THR A 1 169 ? -20.939 -42.838 -64.036 1.00 47.04 ? 171 THR A N 1 ATOM 1282 C CA . THR A 1 169 ? -19.918 -42.104 -64.775 1.00 44.27 ? 171 THR A CA 1 ATOM 1283 C C . THR A 1 169 ? -20.601 -40.969 -65.530 1.00 46.12 ? 171 THR A C 1 ATOM 1284 O O . THR A 1 169 ? -21.753 -41.107 -65.934 1.00 41.96 ? 171 THR A O 1 ATOM 1285 C CB . THR A 1 169 ? -19.147 -43.046 -65.737 1.00 47.60 ? 171 THR A CB 1 ATOM 1286 O OG1 . THR A 1 169 ? -18.007 -43.577 -65.057 1.00 55.53 ? 171 THR A OG1 1 ATOM 1287 C CG2 . THR A 1 169 ? -18.673 -42.331 -66.996 1.00 50.77 ? 171 THR A CG2 1 ATOM 1288 N N . ALA A 1 170 ? -19.910 -39.841 -65.693 1.00 51.42 ? 172 ALA A N 1 ATOM 1289 C CA . ALA A 1 170 ? -20.508 -38.675 -66.341 1.00 49.96 ? 172 ALA A CA 1 ATOM 1290 C C . ALA A 1 170 ? -19.536 -37.949 -67.260 1.00 46.63 ? 172 ALA A C 1 ATOM 1291 O O . ALA A 1 170 ? -18.361 -37.791 -66.938 1.00 48.06 ? 172 ALA A O 1 ATOM 1292 C CB . ALA A 1 170 ? -21.043 -37.713 -65.291 1.00 46.82 ? 172 ALA A CB 1 ATOM 1293 N N . SER A 1 171 ? -20.039 -37.496 -68.405 1.00 43.67 ? 173 SER A N 1 ATOM 1294 C CA . SER A 1 171 ? -19.244 -36.680 -69.316 1.00 41.67 ? 173 SER A CA 1 ATOM 1295 C C . SER A 1 171 ? -18.841 -35.372 -68.640 1.00 41.73 ? 173 SER A C 1 ATOM 1296 O O . SER A 1 171 ? -17.727 -34.885 -68.823 1.00 43.47 ? 173 SER A O 1 ATOM 1297 C CB . SER A 1 171 ? -20.020 -36.390 -70.597 1.00 46.95 ? 173 SER A CB 1 ATOM 1298 O OG . SER A 1 171 ? -20.764 -37.526 -70.997 1.00 56.71 ? 173 SER A OG 1 ATOM 1299 N N . SER A 1 172 ? -19.750 -34.819 -67.840 1.00 40.97 ? 174 SER A N 1 ATOM 1300 C CA . SER A 1 172 ? -19.488 -33.577 -67.119 1.00 42.33 ? 174 SER A CA 1 ATOM 1301 C C . SER A 1 172 ? -18.460 -33.767 -66.000 1.00 37.69 ? 174 SER A C 1 ATOM 1302 O O . SER A 1 172 ? -17.967 -32.794 -65.427 1.00 34.28 ? 174 SER A O 1 ATOM 1303 C CB . SER A 1 172 ? -20.786 -33.014 -66.542 1.00 40.77 ? 174 SER A CB 1 ATOM 1304 O OG . SER A 1 172 ? -21.236 -33.801 -65.457 1.00 43.56 ? 174 SER A OG 1 ATOM 1305 N N . CYS A 1 173 ? -18.144 -35.021 -65.697 1.00 30.53 ? 175 CYS A N 1 ATOM 1306 C CA . CYS A 1 173 ? -17.138 -35.325 -64.694 1.00 32.64 ? 175 CYS A CA 1 ATOM 1307 C C . CYS A 1 173 ? -15.993 -36.148 -65.290 1.00 33.37 ? 175 CYS A C 1 ATOM 1308 O O . CYS A 1 173 ? -15.704 -37.255 -64.831 1.00 32.61 ? 175 CYS A O 1 ATOM 1309 C CB . CYS A 1 173 ? -17.766 -36.061 -63.511 1.00 32.66 ? 175 CYS A CB 1 ATOM 1310 S SG . CYS A 1 173 ? -16.848 -35.865 -61.961 1.00 34.34 ? 175 CYS A SG 1 ATOM 1311 N N . SER A 1 174 ? -15.358 -35.592 -66.321 1.00 41.28 ? 176 SER A N 1 ATOM 1312 C CA . SER A 1 174 ? -14.172 -36.178 -66.958 1.00 41.26 ? 176 SER A CA 1 ATOM 1313 C C . SER A 1 174 ? -14.341 -37.636 -67.390 1.00 36.55 ? 176 SER A C 1 ATOM 1314 O O . SER A 1 174 ? -13.359 -38.374 -67.478 1.00 39.69 ? 176 SER A O 1 ATOM 1315 C CB . SER A 1 174 ? -12.967 -36.061 -66.019 1.00 34.67 ? 176 SER A CB 1 ATOM 1316 O OG . SER A 1 174 ? -12.488 -34.727 -65.986 1.00 35.08 ? 176 SER A OG 1 ATOM 1317 N N . SER A 1 175 ? -15.583 -38.035 -67.655 1.00 33.14 ? 177 SER A N 1 ATOM 1318 C CA . SER A 1 175 ? -15.919 -39.415 -68.010 1.00 37.86 ? 177 SER A CA 1 ATOM 1319 C C . SER A 1 175 ? -15.555 -40.414 -66.908 1.00 39.87 ? 177 SER A C 1 ATOM 1320 O O . SER A 1 175 ? -15.368 -41.601 -67.174 1.00 40.27 ? 177 SER A O 1 ATOM 1321 C CB . SER A 1 175 ? -15.248 -39.812 -69.331 1.00 43.62 ? 177 SER A CB 1 ATOM 1322 O OG . SER A 1 175 ? -15.790 -39.070 -70.413 1.00 43.30 ? 177 SER A OG 1 ATOM 1323 N N . SER A 1 176 ? -15.450 -39.924 -65.675 1.00 51.92 ? 178 SER A N 1 ATOM 1324 C CA . SER A 1 176 ? -15.423 -40.793 -64.500 1.00 53.47 ? 178 SER A CA 1 ATOM 1325 C C . SER A 1 176 ? -16.253 -40.152 -63.391 1.00 49.68 ? 178 SER A C 1 ATOM 1326 O O . SER A 1 176 ? -17.304 -39.562 -63.660 1.00 47.45 ? 178 SER A O 1 ATOM 1327 C CB . SER A 1 176 ? -13.991 -41.067 -64.026 1.00 48.46 ? 178 SER A CB 1 ATOM 1328 O OG . SER A 1 176 ? -13.261 -39.873 -63.856 1.00 55.61 ? 178 SER A OG 1 ATOM 1329 N N . TRP A 1 177 ? -15.788 -40.259 -62.151 1.00 36.76 ? 179 TRP A N 1 ATOM 1330 C CA . TRP A 1 177 ? -16.562 -39.749 -61.027 1.00 33.61 ? 179 TRP A CA 1 ATOM 1331 C C . TRP A 1 177 ? -15.696 -39.426 -59.800 1.00 30.97 ? 179 TRP A C 1 ATOM 1332 O O . TRP A 1 177 ? -14.544 -39.853 -59.711 1.00 32.64 ? 179 TRP A O 1 ATOM 1333 C CB . TRP A 1 177 ? -17.659 -40.756 -60.657 1.00 27.97 ? 179 TRP A CB 1 ATOM 1334 C CG . TRP A 1 177 ? -18.680 -40.174 -59.749 1.00 31.10 ? 179 TRP A CG 1 ATOM 1335 C CD1 . TRP A 1 177 ? -18.915 -40.517 -58.448 1.00 29.21 ? 179 TRP A CD1 1 ATOM 1336 C CD2 . TRP A 1 177 ? -19.578 -39.101 -60.051 1.00 33.74 ? 179 TRP A CD2 1 ATOM 1337 N NE1 . TRP A 1 177 ? -19.916 -39.735 -57.928 1.00 30.68 ? 179 TRP A NE1 1 ATOM 1338 C CE2 . TRP A 1 177 ? -20.340 -38.855 -58.891 1.00 37.22 ? 179 TRP A CE2 1 ATOM 1339 C CE3 . TRP A 1 177 ? -19.816 -38.324 -61.193 1.00 34.03 ? 179 TRP A CE3 1 ATOM 1340 C CZ2 . TRP A 1 177 ? -21.328 -37.868 -58.841 1.00 35.98 ? 179 TRP A CZ2 1 ATOM 1341 C CZ3 . TRP A 1 177 ? -20.791 -37.346 -61.142 1.00 34.98 ? 179 TRP A CZ3 1 ATOM 1342 C CH2 . TRP A 1 177 ? -21.538 -37.127 -59.974 1.00 40.14 ? 179 TRP A CH2 1 ATOM 1343 N N . MET A 1 178 ? -16.265 -38.659 -58.869 1.00 35.12 ? 180 MET A N 1 ATOM 1344 C CA . MET A 1 178 ? -15.642 -38.365 -57.576 1.00 34.92 ? 180 MET A CA 1 ATOM 1345 C C . MET A 1 178 ? -15.115 -39.610 -56.869 1.00 34.62 ? 180 MET A C 1 ATOM 1346 O O . MET A 1 178 ? -15.602 -40.720 -57.102 1.00 33.97 ? 180 MET A O 1 ATOM 1347 C CB . MET A 1 178 ? -16.643 -37.677 -56.636 1.00 32.75 ? 180 MET A CB 1 ATOM 1348 C CG . MET A 1 178 ? -17.340 -36.451 -57.193 1.00 39.85 ? 180 MET A CG 1 ATOM 1349 S SD . MET A 1 178 ? -16.190 -35.087 -57.368 1.00 47.38 ? 180 MET A SD 1 ATOM 1350 C CE . MET A 1 178 ? -17.306 -33.736 -57.736 1.00 43.34 ? 180 MET A CE 1 ATOM 1351 N N . LYS A 1 179 ? -14.140 -39.419 -55.985 1.00 25.92 ? 181 LYS A N 1 ATOM 1352 C CA . LYS A 1 179 ? -13.788 -40.462 -55.037 1.00 25.59 ? 181 LYS A CA 1 ATOM 1353 C C . LYS A 1 179 ? -14.896 -40.591 -53.991 1.00 26.38 ? 181 LYS A C 1 ATOM 1354 O O . LYS A 1 179 ? -15.101 -41.660 -53.406 1.00 29.60 ? 181 LYS A O 1 ATOM 1355 C CB . LYS A 1 179 ? -12.451 -40.162 -54.365 1.00 30.15 ? 181 LYS A CB 1 ATOM 1356 C CG . LYS A 1 179 ? -11.230 -40.446 -55.231 1.00 32.45 ? 181 LYS A CG 1 ATOM 1357 C CD . LYS A 1 179 ? -11.213 -41.892 -55.694 1.00 37.85 ? 181 LYS A CD 1 ATOM 1358 C CE . LYS A 1 179 ? -10.015 -42.172 -56.599 1.00 46.78 ? 181 LYS A CE 1 ATOM 1359 N NZ . LYS A 1 179 ? -10.123 -43.508 -57.278 1.00 49.00 ? 181 LYS A NZ 1 ATOM 1360 N N . SER A 1 180 ? -15.604 -39.488 -53.771 1.00 19.04 ? 182 SER A N 1 ATOM 1361 C CA . SER A 1 180 ? -16.648 -39.387 -52.755 1.00 21.76 ? 182 SER A CA 1 ATOM 1362 C C . SER A 1 180 ? -17.582 -38.213 -53.062 1.00 19.65 ? 182 SER A C 1 ATOM 1363 O O . SER A 1 180 ? -17.120 -37.085 -53.251 1.00 19.84 ? 182 SER A O 1 ATOM 1364 C CB . SER A 1 180 ? -16.036 -39.217 -51.361 1.00 18.40 ? 182 SER A CB 1 ATOM 1365 O OG . SER A 1 180 ? -17.040 -39.258 -50.361 1.00 18.03 ? 182 SER A OG 1 ATOM 1366 N N . PRO A 1 181 ? -18.900 -38.466 -53.105 1.00 17.90 ? 183 PRO A N 1 ATOM 1367 C CA . PRO A 1 181 ? -19.580 -39.740 -52.855 1.00 23.03 ? 183 PRO A CA 1 ATOM 1368 C C . PRO A 1 181 ? -19.463 -40.738 -54.001 1.00 25.34 ? 183 PRO A C 1 ATOM 1369 O O . PRO A 1 181 ? -19.205 -40.337 -55.136 1.00 25.62 ? 183 PRO A O 1 ATOM 1370 C CB . PRO A 1 181 ? -21.036 -39.314 -52.696 1.00 22.62 ? 183 PRO A CB 1 ATOM 1371 C CG . PRO A 1 181 ? -21.154 -38.177 -53.652 1.00 23.61 ? 183 PRO A CG 1 ATOM 1372 C CD . PRO A 1 181 ? -19.866 -37.410 -53.458 1.00 24.18 ? 183 PRO A CD 1 ATOM 1373 N N . LEU A 1 182 ? -19.662 -42.020 -53.705 1.00 29.73 ? 184 LEU A N 1 ATOM 1374 C CA . LEU A 1 182 ? -19.792 -43.020 -54.761 1.00 30.72 ? 184 LEU A CA 1 ATOM 1375 C C . LEU A 1 182 ? -21.209 -42.999 -55.324 1.00 28.35 ? 184 LEU A C 1 ATOM 1376 O O . LEU A 1 182 ? -22.194 -42.876 -54.593 1.00 31.81 ? 184 LEU A O 1 ATOM 1377 C CB . LEU A 1 182 ? -19.428 -44.416 -54.249 1.00 26.21 ? 184 LEU A CB 1 ATOM 1378 C CG . LEU A 1 182 ? -17.923 -44.573 -54.009 1.00 31.13 ? 184 LEU A CG 1 ATOM 1379 C CD1 . LEU A 1 182 ? -17.563 -46.000 -53.631 1.00 26.97 ? 184 LEU A CD1 1 ATOM 1380 C CD2 . LEU A 1 182 ? -17.128 -44.118 -55.228 1.00 31.93 ? 184 LEU A CD2 1 ATOM 1381 N N . TRP A 1 183 ? -21.290 -43.111 -56.639 1.00 33.44 ? 185 TRP A N 1 ATOM 1382 C CA . TRP A 1 183 ? -22.544 -43.035 -57.365 1.00 32.72 ? 185 TRP A CA 1 ATOM 1383 C C . TRP A 1 183 ? -22.908 -44.400 -57.941 1.00 35.29 ? 185 TRP A C 1 ATOM 1384 O O . TRP A 1 183 ? -22.213 -44.907 -58.815 1.00 35.17 ? 185 TRP A O 1 ATOM 1385 C CB . TRP A 1 183 ? -22.417 -41.996 -58.477 1.00 36.51 ? 185 TRP A CB 1 ATOM 1386 C CG . TRP A 1 183 ? -23.637 -41.779 -59.294 1.00 39.42 ? 185 TRP A CG 1 ATOM 1387 C CD1 . TRP A 1 183 ? -24.927 -42.049 -58.941 1.00 35.13 ? 185 TRP A CD1 1 ATOM 1388 C CD2 . TRP A 1 183 ? -23.684 -41.236 -60.618 1.00 40.35 ? 185 TRP A CD2 1 ATOM 1389 N NE1 . TRP A 1 183 ? -25.776 -41.702 -59.965 1.00 40.30 ? 185 TRP A NE1 1 ATOM 1390 C CE2 . TRP A 1 183 ? -25.039 -41.200 -61.006 1.00 42.08 ? 185 TRP A CE2 1 ATOM 1391 C CE3 . TRP A 1 183 ? -22.712 -40.775 -61.513 1.00 40.03 ? 185 TRP A CE3 1 ATOM 1392 C CZ2 . TRP A 1 183 ? -25.447 -40.722 -62.253 1.00 41.99 ? 185 TRP A CZ2 1 ATOM 1393 C CZ3 . TRP A 1 183 ? -23.116 -40.303 -62.752 1.00 41.55 ? 185 TRP A CZ3 1 ATOM 1394 C CH2 . TRP A 1 183 ? -24.472 -40.282 -63.111 1.00 44.51 ? 185 TRP A CH2 1 ATOM 1395 N N . TYR A 1 184 ? -23.985 -44.997 -57.439 1.00 36.10 ? 186 TYR A N 1 ATOM 1396 C CA . TYR A 1 184 ? -24.468 -46.271 -57.959 1.00 36.94 ? 186 TYR A CA 1 ATOM 1397 C C . TYR A 1 184 ? -25.819 -46.095 -58.635 1.00 40.36 ? 186 TYR A C 1 ATOM 1398 O O . TYR A 1 184 ? -26.740 -45.518 -58.055 1.00 43.46 ? 186 TYR A O 1 ATOM 1399 C CB . TYR A 1 184 ? -24.574 -47.309 -56.845 1.00 37.33 ? 186 TYR A CB 1 ATOM 1400 C CG . TYR A 1 184 ? -23.252 -47.650 -56.206 1.00 41.17 ? 186 TYR A CG 1 ATOM 1401 C CD1 . TYR A 1 184 ? -22.444 -48.652 -56.731 1.00 38.38 ? 186 TYR A CD1 1 ATOM 1402 C CD2 . TYR A 1 184 ? -22.809 -46.971 -55.074 1.00 38.18 ? 186 TYR A CD2 1 ATOM 1403 C CE1 . TYR A 1 184 ? -21.234 -48.975 -56.147 1.00 38.13 ? 186 TYR A CE1 1 ATOM 1404 C CE2 . TYR A 1 184 ? -21.598 -47.283 -54.484 1.00 40.86 ? 186 TYR A CE2 1 ATOM 1405 C CZ . TYR A 1 184 ? -20.814 -48.287 -55.025 1.00 46.89 ? 186 TYR A CZ 1 ATOM 1406 O OH . TYR A 1 184 ? -19.604 -48.606 -54.443 1.00 46.39 ? 186 TYR A OH 1 ATOM 1407 N N . ALA A 1 185 ? -25.935 -46.590 -59.862 1.00 30.04 ? 187 ALA A N 1 ATOM 1408 C CA . ALA A 1 185 ? -27.167 -46.424 -60.628 1.00 37.23 ? 187 ALA A CA 1 ATOM 1409 C C . ALA A 1 185 ? -27.669 -47.748 -61.190 1.00 37.48 ? 187 ALA A C 1 ATOM 1410 O O . ALA A 1 185 ? -26.874 -48.638 -61.535 1.00 35.29 ? 187 ALA A O 1 ATOM 1411 C CB . ALA A 1 185 ? -26.959 -45.416 -61.755 1.00 38.42 ? 187 ALA A CB 1 ATOM 1412 N N . GLU A 1 186 ? -28.994 -47.861 -61.274 1.00 39.00 ? 188 GLU A N 1 ATOM 1413 C CA . GLU A 1 186 ? -29.659 -49.081 -61.730 1.00 45.04 ? 188 GLU A CA 1 ATOM 1414 C C . GLU A 1 186 ? -30.086 -48.972 -63.191 1.00 48.81 ? 188 GLU A C 1 ATOM 1415 O O . GLU A 1 186 ? -31.048 -48.260 -63.507 1.00 41.43 ? 188 GLU A O 1 ATOM 1416 C CB . GLU A 1 186 ? -30.883 -49.383 -60.859 1.00 44.81 ? 188 GLU A CB 1 ATOM 1417 C CG . GLU A 1 186 ? -30.572 -49.778 -59.428 1.00 41.79 ? 188 GLU A CG 1 ATOM 1418 C CD . GLU A 1 186 ? -30.232 -51.254 -59.280 1.00 49.26 ? 188 GLU A CD 1 ATOM 1419 O OE1 . GLU A 1 186 ? -30.028 -51.695 -58.124 1.00 37.57 ? 188 GLU A OE1 1 ATOM 1420 O OE2 . GLU A 1 186 ? -30.178 -51.967 -60.315 1.00 47.68 ? 188 GLU A OE2 1 ATOM 1421 N N . SER A 1 187 ? -29.376 -49.688 -64.066 1.00 57.02 ? 189 SER A N 1 ATOM 1422 C CA . SER A 1 187 ? -29.632 -49.668 -65.513 1.00 57.32 ? 189 SER A CA 1 ATOM 1423 C C . SER A 1 187 ? -31.078 -50.022 -65.875 1.00 57.35 ? 189 SER A C 1 ATOM 1424 O O . SER A 1 187 ? -31.636 -49.501 -66.837 1.00 55.80 ? 189 SER A O 1 ATOM 1425 C CB . SER A 1 187 ? -28.691 -50.644 -66.238 1.00 53.39 ? 189 SER A CB 1 ATOM 1426 O OG . SER A 1 187 ? -27.412 -50.690 -65.635 1.00 58.50 ? 189 SER A OG 1 ATOM 1427 N N . SER A 1 188 ? -31.673 -50.910 -65.090 1.00 50.54 ? 190 SER A N 1 ATOM 1428 C CA . SER A 1 188 ? -32.933 -51.538 -65.445 1.00 48.65 ? 190 SER A CA 1 ATOM 1429 C C . SER A 1 188 ? -34.146 -50.719 -65.048 1.00 52.26 ? 190 SER A C 1 ATOM 1430 O O . SER A 1 188 ? -35.262 -51.028 -65.466 1.00 56.15 ? 190 SER A O 1 ATOM 1431 C CB . SER A 1 188 ? -33.019 -52.914 -64.793 1.00 47.53 ? 190 SER A CB 1 ATOM 1432 O OG . SER A 1 188 ? -32.937 -52.793 -63.383 1.00 49.92 ? 190 SER A OG 1 ATOM 1433 N N . VAL A 1 189 ? -33.938 -49.692 -64.229 1.00 47.81 ? 191 VAL A N 1 ATOM 1434 C CA . VAL A 1 189 ? -35.046 -48.852 -63.789 1.00 47.84 ? 191 VAL A CA 1 ATOM 1435 C C . VAL A 1 189 ? -35.504 -47.940 -64.919 1.00 52.65 ? 191 VAL A C 1 ATOM 1436 O O . VAL A 1 189 ? -34.810 -46.997 -65.294 1.00 54.21 ? 191 VAL A O 1 ATOM 1437 C CB . VAL A 1 189 ? -34.679 -47.994 -62.556 1.00 50.09 ? 191 VAL A CB 1 ATOM 1438 C CG1 . VAL A 1 189 ? -35.788 -46.982 -62.259 1.00 44.49 ? 191 VAL A CG1 1 ATOM 1439 C CG2 . VAL A 1 189 ? -34.422 -48.881 -61.347 1.00 42.54 ? 191 VAL A CG2 1 ATOM 1440 N N . ASN A 1 190 ? -36.680 -48.230 -65.459 1.00 65.02 ? 192 ASN A N 1 ATOM 1441 C CA . ASN A 1 190 ? -37.221 -47.458 -66.561 1.00 65.66 ? 192 ASN A CA 1 ATOM 1442 C C . ASN A 1 190 ? -38.696 -47.185 -66.345 1.00 69.91 ? 192 ASN A C 1 ATOM 1443 O O . ASN A 1 190 ? -39.488 -48.121 -66.318 1.00 73.62 ? 192 ASN A O 1 ATOM 1444 C CB . ASN A 1 190 ? -37.007 -48.201 -67.878 1.00 68.71 ? 192 ASN A CB 1 ATOM 1445 C CG . ASN A 1 190 ? -36.859 -47.266 -69.050 1.00 74.63 ? 192 ASN A CG 1 ATOM 1446 O OD1 . ASN A 1 190 ? -36.822 -46.046 -68.884 1.00 74.09 ? 192 ASN A OD1 1 ATOM 1447 N ND2 . ASN A 1 190 ? -36.775 -47.827 -70.247 1.00 76.30 ? 192 ASN A ND2 1 ATOM 1448 N N . PRO A 1 191 ? -39.078 -45.899 -66.213 1.00 72.58 ? 193 PRO A N 1 ATOM 1449 C CA . PRO A 1 191 ? -40.475 -45.529 -65.934 1.00 71.99 ? 193 PRO A CA 1 ATOM 1450 C C . PRO A 1 191 ? -41.511 -45.687 -67.065 1.00 77.32 ? 193 PRO A C 1 ATOM 1451 O O . PRO A 1 191 ? -42.626 -45.214 -66.867 1.00 73.76 ? 193 PRO A O 1 ATOM 1452 C CB . PRO A 1 191 ? -40.369 -44.047 -65.537 1.00 66.07 ? 193 PRO A CB 1 ATOM 1453 C CG . PRO A 1 191 ? -39.106 -43.570 -66.194 1.00 65.79 ? 193 PRO A CG 1 ATOM 1454 C CD . PRO A 1 191 ? -38.172 -44.741 -66.123 1.00 66.62 ? 193 PRO A CD 1 ATOM 1455 N N . PRO A 1 195 ? -42.297 -46.823 -70.265 1.00 95.41 ? 197 PRO A N 1 ATOM 1456 C CA . PRO A 1 195 ? -42.058 -48.266 -70.312 1.00 98.00 ? 197 PRO A CA 1 ATOM 1457 C C . PRO A 1 195 ? -42.805 -49.034 -69.217 1.00 98.35 ? 197 PRO A C 1 ATOM 1458 O O . PRO A 1 195 ? -44.013 -49.008 -69.234 1.00 94.58 ? 197 PRO A O 1 ATOM 1459 C CB . PRO A 1 195 ? -40.549 -48.365 -70.125 1.00 87.73 ? 197 PRO A CB 1 ATOM 1460 C CG . PRO A 1 195 ? -40.139 -47.051 -69.500 1.00 95.68 ? 197 PRO A CG 1 ATOM 1461 C CD . PRO A 1 195 ? -41.328 -46.155 -69.394 1.00 93.29 ? 197 PRO A CD 1 ATOM 1462 N N . GLN A 1 196 ? -42.119 -49.696 -68.292 1.00 87.36 ? 198 GLN A N 1 ATOM 1463 C CA . GLN A 1 196 ? -42.816 -50.452 -67.243 1.00 84.76 ? 198 GLN A CA 1 ATOM 1464 C C . GLN A 1 196 ? -42.148 -50.619 -65.849 1.00 75.07 ? 198 GLN A C 1 ATOM 1465 O O . GLN A 1 196 ? -42.820 -50.839 -64.880 1.00 71.13 ? 198 GLN A O 1 ATOM 1466 C CB . GLN A 1 196 ? -43.213 -51.845 -67.777 1.00 83.44 ? 198 GLN A CB 1 ATOM 1467 C CG . GLN A 1 196 ? -42.962 -52.103 -69.263 1.00 85.83 ? 198 GLN A CG 1 ATOM 1468 C CD . GLN A 1 196 ? -44.252 -52.445 -70.008 1.00 89.37 ? 198 GLN A CD 1 ATOM 1469 O OE1 . GLN A 1 196 ? -44.440 -52.095 -71.166 1.00 85.95 ? 198 GLN A OE1 1 ATOM 1470 N NE2 . GLN A 1 196 ? -45.149 -53.116 -69.316 1.00 94.91 ? 198 GLN A NE2 1 ATOM 1471 N N . VAL A 1 197 ? -40.838 -50.510 -65.778 1.00 57.73 ? 199 VAL A N 1 ATOM 1472 C CA . VAL A 1 197 ? -40.037 -51.056 -64.691 1.00 58.02 ? 199 VAL A CA 1 ATOM 1473 C C . VAL A 1 197 ? -39.487 -50.048 -63.679 1.00 54.40 ? 199 VAL A C 1 ATOM 1474 O O . VAL A 1 197 ? -38.637 -49.247 -63.987 1.00 52.18 ? 199 VAL A O 1 ATOM 1475 C CB . VAL A 1 197 ? -38.864 -51.865 -65.267 1.00 57.72 ? 199 VAL A CB 1 ATOM 1476 C CG1 . VAL A 1 197 ? -38.286 -52.786 -64.238 1.00 48.09 ? 199 VAL A CG1 1 ATOM 1477 C CG2 . VAL A 1 197 ? -39.304 -52.648 -66.488 1.00 55.61 ? 199 VAL A CG2 1 ATOM 1478 N N . CYS A 1 198 ? -39.953 -50.147 -62.453 1.00 64.73 ? 200 CYS A N 1 ATOM 1479 C CA . CYS A 1 198 ? -39.626 -49.167 -61.415 1.00 67.73 ? 200 CYS A CA 1 ATOM 1480 C C . CYS A 1 198 ? -38.382 -49.501 -60.576 1.00 65.72 ? 200 CYS A C 1 ATOM 1481 O O . CYS A 1 198 ? -37.687 -48.600 -60.099 1.00 58.02 ? 200 CYS A O 1 ATOM 1482 C CB . CYS A 1 198 ? -40.828 -48.979 -60.489 1.00 66.54 ? 200 CYS A CB 1 ATOM 1483 S SG . CYS A 1 198 ? -41.959 -47.682 -61.041 1.00 83.27 ? 200 CYS A SG 1 ATOM 1484 N N . GLY A 1 199 ? -38.105 -50.786 -60.391 1.00 55.06 ? 201 GLY A N 1 ATOM 1485 C CA . GLY A 1 199 ? -36.915 -51.200 -59.673 1.00 43.20 ? 201 GLY A CA 1 ATOM 1486 C C . GLY A 1 199 ? -37.138 -51.299 -58.179 1.00 47.91 ? 201 GLY A C 1 ATOM 1487 O O . GLY A 1 199 ? -38.232 -51.030 -57.677 1.00 48.94 ? 201 GLY A O 1 ATOM 1488 N N . THR A 1 200 ? -36.087 -51.684 -57.464 1.00 42.58 ? 202 THR A N 1 ATOM 1489 C CA . THR A 1 200 ? -36.162 -51.870 -56.025 1.00 38.71 ? 202 THR A CA 1 ATOM 1490 C C . THR A 1 200 ? -35.401 -50.763 -55.308 1.00 37.95 ? 202 THR A C 1 ATOM 1491 O O . THR A 1 200 ? -34.333 -50.340 -55.756 1.00 35.98 ? 202 THR A O 1 ATOM 1492 C CB . THR A 1 200 ? -35.595 -53.248 -55.604 1.00 38.08 ? 202 THR A CB 1 ATOM 1493 O OG1 . THR A 1 200 ? -36.310 -54.287 -56.280 1.00 42.93 ? 202 THR A OG1 1 ATOM 1494 C CG2 . THR A 1 200 ? -35.722 -53.458 -54.096 1.00 36.10 ? 202 THR A CG2 1 ATOM 1495 N N . GLU A 1 201 ? -35.975 -50.291 -54.207 1.00 34.84 ? 203 GLU A N 1 ATOM 1496 C CA . GLU A 1 201 ? -35.340 -49.305 -53.349 1.00 35.77 ? 203 GLU A CA 1 ATOM 1497 C C . GLU A 1 201 ? -33.909 -49.701 -53.012 1.00 32.71 ? 203 GLU A C 1 ATOM 1498 O O . GLU A 1 201 ? -33.651 -50.823 -52.584 1.00 32.32 ? 203 GLU A O 1 ATOM 1499 C CB . GLU A 1 201 ? -36.159 -49.124 -52.069 1.00 36.40 ? 203 GLU A CB 1 ATOM 1500 C CG . GLU A 1 201 ? -35.341 -48.788 -50.841 1.00 37.50 ? 203 GLU A CG 1 ATOM 1501 C CD . GLU A 1 201 ? -36.195 -48.282 -49.706 1.00 35.74 ? 203 GLU A CD 1 ATOM 1502 O OE1 . GLU A 1 201 ? -36.798 -47.201 -49.862 1.00 35.94 ? 203 GLU A OE1 1 ATOM 1503 O OE2 . GLU A 1 201 ? -36.277 -48.970 -48.666 1.00 36.74 ? 203 GLU A OE2 1 ATOM 1504 N N . GLN A 1 202 ? -32.977 -48.778 -53.228 1.00 37.11 ? 204 GLN A N 1 ATOM 1505 C CA . GLN A 1 202 ? -31.571 -49.056 -52.975 1.00 33.58 ? 204 GLN A CA 1 ATOM 1506 C C . GLN A 1 202 ? -31.203 -48.792 -51.523 1.00 32.62 ? 204 GLN A C 1 ATOM 1507 O O . GLN A 1 202 ? -31.736 -47.883 -50.886 1.00 33.41 ? 204 GLN A O 1 ATOM 1508 C CB . GLN A 1 202 ? -30.676 -48.234 -53.904 1.00 31.08 ? 204 GLN A CB 1 ATOM 1509 C CG . GLN A 1 202 ? -30.379 -48.931 -55.212 1.00 29.47 ? 204 GLN A CG 1 ATOM 1510 C CD . GLN A 1 202 ? -29.207 -48.322 -55.945 1.00 36.26 ? 204 GLN A CD 1 ATOM 1511 O OE1 . GLN A 1 202 ? -28.080 -48.802 -55.835 1.00 36.34 ? 204 GLN A OE1 1 ATOM 1512 N NE2 . GLN A 1 202 ? -29.466 -47.264 -56.711 1.00 37.56 ? 204 GLN A NE2 1 ATOM 1513 N N . SER A 1 203 ? -30.281 -49.604 -51.019 1.00 27.21 ? 205 SER A N 1 ATOM 1514 C CA . SER A 1 203 ? -29.853 -49.549 -49.634 1.00 27.79 ? 205 SER A CA 1 ATOM 1515 C C . SER A 1 203 ? -28.329 -49.556 -49.541 1.00 27.09 ? 205 SER A C 1 ATOM 1516 O O . SER A 1 203 ? -27.651 -50.060 -50.432 1.00 26.61 ? 205 SER A O 1 ATOM 1517 C CB . SER A 1 203 ? -30.436 -50.732 -48.860 1.00 29.13 ? 205 SER A CB 1 ATOM 1518 O OG . SER A 1 203 ? -30.351 -50.513 -47.468 1.00 37.54 ? 205 SER A OG 1 ATOM 1519 N N . ALA A 1 204 ? -27.797 -48.995 -48.459 1.00 31.77 ? 206 ALA A N 1 ATOM 1520 C CA . ALA A 1 204 ? -26.356 -48.945 -48.243 1.00 30.66 ? 206 ALA A CA 1 ATOM 1521 C C . ALA A 1 204 ? -26.032 -48.588 -46.803 1.00 27.31 ? 206 ALA A C 1 ATOM 1522 O O . ALA A 1 204 ? -26.797 -47.903 -46.133 1.00 24.44 ? 206 ALA A O 1 ATOM 1523 C CB . ALA A 1 204 ? -25.695 -47.942 -49.188 1.00 22.39 ? 206 ALA A CB 1 ATOM 1524 N N . THR A 1 205 ? -24.889 -49.068 -46.335 1.00 25.54 ? 207 THR A N 1 ATOM 1525 C CA . THR A 1 205 ? -24.352 -48.629 -45.066 1.00 26.44 ? 207 THR A CA 1 ATOM 1526 C C . THR A 1 205 ? -23.009 -47.975 -45.311 1.00 27.78 ? 207 THR A C 1 ATOM 1527 O O . THR A 1 205 ? -22.355 -48.257 -46.314 1.00 29.80 ? 207 THR A O 1 ATOM 1528 C CB . THR A 1 205 ? -24.170 -49.787 -44.077 1.00 23.75 ? 207 THR A CB 1 ATOM 1529 O OG1 . THR A 1 205 ? -23.155 -50.671 -44.568 1.00 27.67 ? 207 THR A OG1 1 ATOM 1530 C CG2 . THR A 1 205 ? -25.464 -50.542 -43.901 1.00 27.68 ? 207 THR A CG2 1 ATOM 1531 N N . PHE A 1 206 ? -22.600 -47.100 -44.399 1.00 23.72 ? 208 PHE A N 1 ATOM 1532 C CA . PHE A 1 206 ? -21.218 -46.637 -44.365 1.00 19.31 ? 208 PHE A CA 1 ATOM 1533 C C . PHE A 1 206 ? -20.815 -46.419 -42.913 1.00 22.15 ? 208 PHE A C 1 ATOM 1534 O O . PHE A 1 206 ? -21.650 -46.097 -42.063 1.00 19.81 ? 208 PHE A O 1 ATOM 1535 C CB . PHE A 1 206 ? -21.019 -45.361 -45.197 1.00 19.47 ? 208 PHE A CB 1 ATOM 1536 C CG . PHE A 1 206 ? -21.776 -44.160 -44.687 1.00 18.27 ? 208 PHE A CG 1 ATOM 1537 C CD1 . PHE A 1 206 ? -21.167 -43.247 -43.840 1.00 18.87 ? 208 PHE A CD1 1 ATOM 1538 C CD2 . PHE A 1 206 ? -23.088 -43.930 -45.080 1.00 23.42 ? 208 PHE A CD2 1 ATOM 1539 C CE1 . PHE A 1 206 ? -21.846 -42.134 -43.381 1.00 16.04 ? 208 PHE A CE1 1 ATOM 1540 C CE2 . PHE A 1 206 ? -23.780 -42.814 -44.625 1.00 25.15 ? 208 PHE A CE2 1 ATOM 1541 C CZ . PHE A 1 206 ? -23.156 -41.918 -43.770 1.00 22.04 ? 208 PHE A CZ 1 ATOM 1542 N N . THR A 1 207 ? -19.530 -46.610 -42.640 1.00 21.89 ? 209 THR A N 1 ATOM 1543 C CA . THR A 1 207 ? -19.019 -46.587 -41.280 1.00 19.91 ? 209 THR A CA 1 ATOM 1544 C C . THR A 1 207 ? -17.998 -45.472 -41.097 1.00 24.18 ? 209 THR A C 1 ATOM 1545 O O . THR A 1 207 ? -17.039 -45.349 -41.866 1.00 19.58 ? 209 THR A O 1 ATOM 1546 C CB . THR A 1 207 ? -18.373 -47.933 -40.905 1.00 20.85 ? 209 THR A CB 1 ATOM 1547 O OG1 . THR A 1 207 ? -19.291 -48.994 -41.186 1.00 25.74 ? 209 THR A OG1 1 ATOM 1548 C CG2 . THR A 1 207 ? -17.991 -47.969 -39.427 1.00 19.48 ? 209 THR A CG2 1 ATOM 1549 N N . LEU A 1 208 ? -18.234 -44.644 -40.086 1.00 29.57 ? 210 LEU A N 1 ATOM 1550 C CA . LEU A 1 208 ? -17.252 -43.669 -39.641 1.00 24.40 ? 210 LEU A CA 1 ATOM 1551 C C . LEU A 1 208 ? -16.496 -44.328 -38.496 1.00 21.93 ? 210 LEU A C 1 ATOM 1552 O O . LEU A 1 208 ? -17.103 -44.729 -37.507 1.00 25.02 ? 210 LEU A O 1 ATOM 1553 C CB . LEU A 1 208 ? -17.930 -42.373 -39.204 1.00 18.95 ? 210 LEU A CB 1 ATOM 1554 C CG . LEU A 1 208 ? -18.945 -41.836 -40.212 1.00 20.90 ? 210 LEU A CG 1 ATOM 1555 C CD1 . LEU A 1 208 ? -19.731 -40.649 -39.651 1.00 21.45 ? 210 LEU A CD1 1 ATOM 1556 C CD2 . LEU A 1 208 ? -18.252 -41.449 -41.500 1.00 25.08 ? 210 LEU A CD2 1 ATOM 1557 N N . PRO A 1 209 ? -15.175 -44.474 -38.642 1.00 19.76 ? 211 PRO A N 1 ATOM 1558 C CA . PRO A 1 209 ? -14.382 -45.235 -37.672 1.00 19.50 ? 211 PRO A CA 1 ATOM 1559 C C . PRO A 1 209 ? -14.062 -44.454 -36.390 1.00 23.22 ? 211 PRO A C 1 ATOM 1560 O O . PRO A 1 209 ? -14.159 -43.220 -36.374 1.00 20.63 ? 211 PRO A O 1 ATOM 1561 C CB . PRO A 1 209 ? -13.112 -45.556 -38.457 1.00 19.48 ? 211 PRO A CB 1 ATOM 1562 C CG . PRO A 1 209 ? -12.974 -44.429 -39.404 1.00 20.04 ? 211 PRO A CG 1 ATOM 1563 C CD . PRO A 1 209 ? -14.369 -44.042 -39.796 1.00 17.56 ? 211 PRO A CD 1 ATOM 1564 N N . THR A 1 210 ? -13.699 -45.176 -35.328 1.00 17.42 ? 212 THR A N 1 ATOM 1565 C CA . THR A 1 210 ? -13.339 -44.559 -34.053 1.00 16.03 ? 212 THR A CA 1 ATOM 1566 C C . THR A 1 210 ? -11.889 -44.083 -34.053 1.00 22.38 ? 212 THR A C 1 ATOM 1567 O O . THR A 1 210 ? -11.421 -43.476 -33.079 1.00 18.21 ? 212 THR A O 1 ATOM 1568 C CB . THR A 1 210 ? -13.520 -45.532 -32.870 1.00 17.26 ? 212 THR A CB 1 ATOM 1569 O OG1 . THR A 1 210 ? -12.632 -46.644 -33.036 1.00 15.80 ? 212 THR A OG1 1 ATOM 1570 C CG2 . THR A 1 210 ? -14.975 -46.027 -32.758 1.00 10.73 ? 212 THR A CG2 1 ATOM 1571 N N . SER A 1 211 ? -11.171 -44.383 -35.134 1.00 14.86 ? 213 SER A N 1 ATOM 1572 C CA . SER A 1 211 ? -9.797 -43.941 -35.270 1.00 15.35 ? 213 SER A CA 1 ATOM 1573 C C . SER A 1 211 ? -9.317 -44.168 -36.688 1.00 18.18 ? 213 SER A C 1 ATOM 1574 O O . SER A 1 211 ? -9.874 -44.979 -37.425 1.00 16.56 ? 213 SER A O 1 ATOM 1575 C CB . SER A 1 211 ? -8.878 -44.669 -34.280 1.00 21.90 ? 213 SER A CB 1 ATOM 1576 O OG . SER A 1 211 ? -8.803 -46.055 -34.566 1.00 19.43 ? 213 SER A OG 1 ATOM 1577 N N . PHE A 1 212 ? -8.274 -43.442 -37.058 1.00 18.41 ? 214 PHE A N 1 ATOM 1578 C CA . PHE A 1 212 ? -7.658 -43.574 -38.362 1.00 13.48 ? 214 PHE A CA 1 ATOM 1579 C C . PHE A 1 212 ? -6.159 -43.394 -38.186 1.00 14.95 ? 214 PHE A C 1 ATOM 1580 O O . PHE A 1 212 ? -5.687 -42.298 -37.867 1.00 19.89 ? 214 PHE A O 1 ATOM 1581 C CB . PHE A 1 212 ? -8.236 -42.551 -39.339 1.00 16.29 ? 214 PHE A CB 1 ATOM 1582 C CG . PHE A 1 212 ? -7.782 -42.747 -40.754 1.00 16.86 ? 214 PHE A CG 1 ATOM 1583 C CD1 . PHE A 1 212 ? -8.274 -43.794 -41.511 1.00 16.63 ? 214 PHE A CD1 1 ATOM 1584 C CD2 . PHE A 1 212 ? -6.856 -41.888 -41.326 1.00 12.87 ? 214 PHE A CD2 1 ATOM 1585 C CE1 . PHE A 1 212 ? -7.857 -43.985 -42.814 1.00 13.77 ? 214 PHE A CE1 1 ATOM 1586 C CE2 . PHE A 1 212 ? -6.435 -42.077 -42.625 1.00 14.74 ? 214 PHE A CE2 1 ATOM 1587 C CZ . PHE A 1 212 ? -6.939 -43.127 -43.369 1.00 14.97 ? 214 PHE A CZ 1 ATOM 1588 N N . GLY A 1 213 ? -5.413 -44.477 -38.377 1.00 19.94 ? 215 GLY A N 1 ATOM 1589 C CA . GLY A 1 213 ? -4.012 -44.495 -38.013 1.00 15.65 ? 215 GLY A CA 1 ATOM 1590 C C . GLY A 1 213 ? -3.865 -44.157 -36.545 1.00 18.63 ? 215 GLY A C 1 ATOM 1591 O O . GLY A 1 213 ? -4.553 -44.735 -35.699 1.00 19.63 ? 215 GLY A O 1 ATOM 1592 N N . ILE A 1 214 ? -2.984 -43.206 -36.250 1.00 13.25 ? 216 ILE A N 1 ATOM 1593 C CA . ILE A 1 214 ? -2.726 -42.763 -34.882 1.00 13.27 ? 216 ILE A CA 1 ATOM 1594 C C . ILE A 1 214 ? -3.730 -41.728 -34.376 1.00 18.23 ? 216 ILE A C 1 ATOM 1595 O O . ILE A 1 214 ? -3.608 -41.257 -33.249 1.00 19.85 ? 216 ILE A O 1 ATOM 1596 C CB . ILE A 1 214 ? -1.325 -42.120 -34.750 1.00 21.55 ? 216 ILE A CB 1 ATOM 1597 C CG1 . ILE A 1 214 ? -1.309 -40.753 -35.452 1.00 15.19 ? 216 ILE A CG1 1 ATOM 1598 C CG2 . ILE A 1 214 ? -0.227 -43.041 -35.298 1.00 17.54 ? 216 ILE A CG2 1 ATOM 1599 C CD1 . ILE A 1 214 ? 0.000 -39.998 -35.280 1.00 18.64 ? 216 ILE A CD1 1 ATOM 1600 N N . TYR A 1 215 ? -4.697 -41.345 -35.207 1.00 19.41 ? 217 TYR A N 1 ATOM 1601 C CA . TYR A 1 215 ? -5.620 -40.276 -34.835 1.00 20.02 ? 217 TYR A CA 1 ATOM 1602 C C . TYR A 1 215 ? -6.954 -40.799 -34.291 1.00 20.57 ? 217 TYR A C 1 ATOM 1603 O O . TYR A 1 215 ? -7.670 -41.565 -34.941 1.00 18.56 ? 217 TYR A O 1 ATOM 1604 C CB . TYR A 1 215 ? -5.882 -39.346 -36.028 1.00 22.81 ? 217 TYR A CB 1 ATOM 1605 C CG . TYR A 1 215 ? -4.634 -38.687 -36.566 1.00 21.01 ? 217 TYR A CG 1 ATOM 1606 C CD1 . TYR A 1 215 ? -3.927 -39.259 -37.618 1.00 20.27 ? 217 TYR A CD1 1 ATOM 1607 C CD2 . TYR A 1 215 ? -4.154 -37.505 -36.017 1.00 21.87 ? 217 TYR A CD2 1 ATOM 1608 C CE1 . TYR A 1 215 ? -2.781 -38.672 -38.113 1.00 17.52 ? 217 TYR A CE1 1 ATOM 1609 C CE2 . TYR A 1 215 ? -3.004 -36.906 -36.509 1.00 24.97 ? 217 TYR A CE2 1 ATOM 1610 C CZ . TYR A 1 215 ? -2.323 -37.500 -37.560 1.00 22.66 ? 217 TYR A CZ 1 ATOM 1611 O OH . TYR A 1 215 ? -1.180 -36.922 -38.059 1.00 23.99 ? 217 TYR A OH 1 ATOM 1612 N N . LYS A 1 216 ? -7.265 -40.376 -33.077 1.00 19.41 ? 218 LYS A N 1 ATOM 1613 C CA . LYS A 1 216 ? -8.561 -40.615 -32.484 1.00 21.43 ? 218 LYS A CA 1 ATOM 1614 C C . LYS A 1 216 ? -9.635 -39.805 -33.219 1.00 24.18 ? 218 LYS A C 1 ATOM 1615 O O . LYS A 1 216 ? -9.448 -38.616 -33.514 1.00 23.90 ? 218 LYS A O 1 ATOM 1616 C CB . LYS A 1 216 ? -8.534 -40.250 -30.995 1.00 22.28 ? 218 LYS A CB 1 ATOM 1617 C CG . LYS A 1 216 ? -9.873 -40.386 -30.314 1.00 21.90 ? 218 LYS A CG 1 ATOM 1618 C CD . LYS A 1 216 ? -9.778 -40.159 -28.814 1.00 24.53 ? 218 LYS A CD 1 ATOM 1619 C CE . LYS A 1 216 ? -9.236 -38.792 -28.482 1.00 21.68 ? 218 LYS A CE 1 ATOM 1620 N NZ . LYS A 1 216 ? -9.333 -38.541 -27.027 1.00 27.39 ? 218 LYS A NZ 1 ATOM 1621 N N . CYS A 1 217 ? -10.754 -40.453 -33.517 1.00 19.34 ? 219 CYS A N 1 ATOM 1622 C CA . CYS A 1 217 ? -11.891 -39.775 -34.118 1.00 19.51 ? 219 CYS A CA 1 ATOM 1623 C C . CYS A 1 217 ? -13.050 -39.696 -33.133 1.00 20.87 ? 219 CYS A C 1 ATOM 1624 O O . CYS A 1 217 ? -13.602 -40.723 -32.765 1.00 20.44 ? 219 CYS A O 1 ATOM 1625 C CB . CYS A 1 217 ? -12.346 -40.509 -35.385 1.00 23.25 ? 219 CYS A CB 1 ATOM 1626 S SG . CYS A 1 217 ? -11.030 -40.919 -36.537 1.00 23.69 ? 219 CYS A SG 1 ATOM 1627 N N . ASN A 1 218 ? -13.413 -38.488 -32.703 1.00 22.53 ? 220 ASN A N 1 ATOM 1628 C CA . ASN A 1 218 ? -14.635 -38.286 -31.922 1.00 18.06 ? 220 ASN A CA 1 ATOM 1629 C C . ASN A 1 218 ? -15.714 -37.691 -32.818 1.00 24.78 ? 220 ASN A C 1 ATOM 1630 O O . ASN A 1 218 ? -16.909 -37.778 -32.520 1.00 22.80 ? 220 ASN A O 1 ATOM 1631 C CB . ASN A 1 218 ? -14.400 -37.356 -30.725 1.00 20.90 ? 220 ASN A CB 1 ATOM 1632 C CG . ASN A 1 218 ? -13.329 -37.872 -29.762 1.00 24.28 ? 220 ASN A CG 1 ATOM 1633 O OD1 . ASN A 1 218 ? -12.276 -37.255 -29.612 1.00 21.10 ? 220 ASN A OD1 1 ATOM 1634 N ND2 . ASN A 1 218 ? -13.611 -38.985 -29.085 1.00 20.19 ? 220 ASN A ND2 1 ATOM 1635 N N . LYS A 1 219 ? -15.277 -37.070 -33.914 1.00 22.32 ? 221 LYS A N 1 ATOM 1636 C CA . LYS A 1 219 ? -16.172 -36.372 -34.839 1.00 21.67 ? 221 LYS A CA 1 ATOM 1637 C C . LYS A 1 219 ? -15.705 -36.544 -36.283 1.00 20.91 ? 221 LYS A C 1 ATOM 1638 O O . LYS A 1 219 ? -14.505 -36.561 -36.561 1.00 18.11 ? 221 LYS A O 1 ATOM 1639 C CB . LYS A 1 219 ? -16.249 -34.873 -34.513 1.00 18.83 ? 221 LYS A CB 1 ATOM 1640 C CG . LYS A 1 219 ? -16.766 -34.532 -33.130 1.00 21.02 ? 221 LYS A CG 1 ATOM 1641 C CD . LYS A 1 219 ? -18.265 -34.774 -32.999 1.00 17.58 ? 221 LYS A CD 1 ATOM 1642 C CE . LYS A 1 219 ? -18.678 -34.715 -31.532 1.00 23.15 ? 221 LYS A CE 1 ATOM 1643 N NZ . LYS A 1 219 ? -20.126 -34.979 -31.324 1.00 23.72 ? 221 LYS A NZ 1 ATOM 1644 N N . HIS A 1 220 ? -16.666 -36.657 -37.192 1.00 16.76 ? 222 HIS A N 1 ATOM 1645 C CA . HIS A 1 220 ? -16.391 -36.730 -38.617 1.00 17.35 ? 222 HIS A CA 1 ATOM 1646 C C . HIS A 1 220 ? -17.164 -35.654 -39.376 1.00 18.65 ? 222 HIS A C 1 ATOM 1647 O O . HIS A 1 220 ? -18.371 -35.489 -39.191 1.00 18.01 ? 222 HIS A O 1 ATOM 1648 C CB . HIS A 1 220 ? -16.758 -38.113 -39.179 1.00 18.04 ? 222 HIS A CB 1 ATOM 1649 C CG . HIS A 1 220 ? -15.833 -39.210 -38.752 1.00 19.45 ? 222 HIS A CG 1 ATOM 1650 N ND1 . HIS A 1 220 ? -14.730 -39.586 -39.493 1.00 20.95 ? 222 HIS A ND1 1 ATOM 1651 C CD2 . HIS A 1 220 ? -15.854 -40.021 -37.668 1.00 16.44 ? 222 HIS A CD2 1 ATOM 1652 C CE1 . HIS A 1 220 ? -14.106 -40.575 -38.874 1.00 20.26 ? 222 HIS A CE1 1 ATOM 1653 N NE2 . HIS A 1 220 ? -14.771 -40.859 -37.766 1.00 16.21 ? 222 HIS A NE2 1 ATOM 1654 N N . VAL A 1 221 ? -16.463 -34.919 -40.227 1.00 18.23 ? 223 VAL A N 1 ATOM 1655 C CA . VAL A 1 221 ? -17.118 -34.070 -41.208 1.00 16.45 ? 223 VAL A CA 1 ATOM 1656 C C . VAL A 1 221 ? -17.296 -34.891 -42.470 1.00 19.77 ? 223 VAL A C 1 ATOM 1657 O O . VAL A 1 221 ? -16.312 -35.324 -43.078 1.00 21.27 ? 223 VAL A O 1 ATOM 1658 C CB . VAL A 1 221 ? -16.311 -32.803 -41.541 1.00 17.93 ? 223 VAL A CB 1 ATOM 1659 C CG1 . VAL A 1 221 ? -16.986 -32.031 -42.689 1.00 17.02 ? 223 VAL A CG1 1 ATOM 1660 C CG2 . VAL A 1 221 ? -16.143 -31.936 -40.307 1.00 13.62 ? 223 VAL A CG2 1 ATOM 1661 N N . VAL A 1 222 ? -18.547 -35.131 -42.844 1.00 21.42 ? 224 VAL A N 1 ATOM 1662 C CA . VAL A 1 222 ? -18.864 -35.892 -44.048 1.00 24.45 ? 224 VAL A CA 1 ATOM 1663 C C . VAL A 1 222 ? -19.885 -35.121 -44.881 1.00 25.87 ? 224 VAL A C 1 ATOM 1664 O O . VAL A 1 222 ? -20.541 -34.212 -44.371 1.00 27.55 ? 224 VAL A O 1 ATOM 1665 C CB . VAL A 1 222 ? -19.424 -37.296 -43.707 1.00 26.79 ? 224 VAL A CB 1 ATOM 1666 C CG1 . VAL A 1 222 ? -18.718 -37.874 -42.499 1.00 25.62 ? 224 VAL A CG1 1 ATOM 1667 C CG2 . VAL A 1 222 ? -20.895 -37.214 -43.413 1.00 31.01 ? 224 VAL A CG2 1 ATOM 1668 N N . GLN A 1 223 ? -20.015 -35.471 -46.158 1.00 18.16 ? 225 GLN A N 1 ATOM 1669 C CA . GLN A 1 223 ? -21.076 -34.908 -46.993 1.00 21.02 ? 225 GLN A CA 1 ATOM 1670 C C . GLN A 1 223 ? -22.222 -35.907 -47.147 1.00 22.54 ? 225 GLN A C 1 ATOM 1671 O O . GLN A 1 223 ? -22.001 -37.072 -47.491 1.00 22.59 ? 225 GLN A O 1 ATOM 1672 C CB . GLN A 1 223 ? -20.548 -34.502 -48.377 1.00 22.74 ? 225 GLN A CB 1 ATOM 1673 C CG . GLN A 1 223 ? -19.566 -33.334 -48.383 1.00 17.94 ? 225 GLN A CG 1 ATOM 1674 C CD . GLN A 1 223 ? -18.183 -33.721 -47.876 1.00 22.00 ? 225 GLN A CD 1 ATOM 1675 O OE1 . GLN A 1 223 ? -17.503 -34.564 -48.469 1.00 20.94 ? 225 GLN A OE1 1 ATOM 1676 N NE2 . GLN A 1 223 ? -17.762 -33.107 -46.772 1.00 17.82 ? 225 GLN A NE2 1 ATOM 1677 N N . LEU A 1 224 ? -23.443 -35.455 -46.875 1.00 21.72 ? 226 LEU A N 1 ATOM 1678 C CA . LEU A 1 224 ? -24.624 -36.290 -47.069 1.00 22.13 ? 226 LEU A CA 1 ATOM 1679 C C . LEU A 1 224 ? -25.356 -35.828 -48.325 1.00 25.96 ? 226 LEU A C 1 ATOM 1680 O O . LEU A 1 224 ? -26.340 -35.074 -48.258 1.00 19.21 ? 226 LEU A O 1 ATOM 1681 C CB . LEU A 1 224 ? -25.537 -36.240 -45.845 1.00 21.04 ? 226 LEU A CB 1 ATOM 1682 C CG . LEU A 1 224 ? -24.842 -36.624 -44.535 1.00 25.35 ? 226 LEU A CG 1 ATOM 1683 C CD1 . LEU A 1 224 ? -25.823 -36.632 -43.365 1.00 26.20 ? 226 LEU A CD1 1 ATOM 1684 C CD2 . LEU A 1 224 ? -24.152 -37.975 -44.677 1.00 24.81 ? 226 LEU A CD2 1 ATOM 1685 N N . CYS A 1 225 ? -24.854 -36.290 -49.469 1.00 28.91 ? 227 CYS A N 1 ATOM 1686 C CA . CYS A 1 225 ? -25.266 -35.773 -50.769 1.00 28.66 ? 227 CYS A CA 1 ATOM 1687 C C . CYS A 1 225 ? -26.595 -36.351 -51.245 1.00 28.87 ? 227 CYS A C 1 ATOM 1688 O O . CYS A 1 225 ? -27.067 -37.369 -50.750 1.00 26.45 ? 227 CYS A O 1 ATOM 1689 C CB . CYS A 1 225 ? -24.185 -36.050 -51.823 1.00 28.74 ? 227 CYS A CB 1 ATOM 1690 S SG . CYS A 1 225 ? -22.610 -35.169 -51.612 1.00 32.26 ? 227 CYS A SG 1 ATOM 1691 N N . TYR A 1 226 ? -27.185 -35.678 -52.223 1.00 27.46 ? 228 TYR A N 1 ATOM 1692 C CA . TYR A 1 226 ? -28.423 -36.118 -52.845 1.00 32.28 ? 228 TYR A CA 1 ATOM 1693 C C . TYR A 1 226 ? -28.599 -35.391 -54.176 1.00 32.67 ? 228 TYR A C 1 ATOM 1694 O O . TYR A 1 226 ? -27.963 -34.360 -54.423 1.00 31.33 ? 228 TYR A O 1 ATOM 1695 C CB . TYR A 1 226 ? -29.620 -35.856 -51.927 1.00 24.30 ? 228 TYR A CB 1 ATOM 1696 C CG . TYR A 1 226 ? -29.642 -34.455 -51.365 1.00 27.08 ? 228 TYR A CG 1 ATOM 1697 C CD1 . TYR A 1 226 ? -30.043 -33.373 -52.152 1.00 27.36 ? 228 TYR A CD1 1 ATOM 1698 C CD2 . TYR A 1 226 ? -29.265 -34.206 -50.047 1.00 27.55 ? 228 TYR A CD2 1 ATOM 1699 C CE1 . TYR A 1 226 ? -30.068 -32.078 -51.637 1.00 29.40 ? 228 TYR A CE1 1 ATOM 1700 C CE2 . TYR A 1 226 ? -29.280 -32.914 -49.522 1.00 26.01 ? 228 TYR A CE2 1 ATOM 1701 C CZ . TYR A 1 226 ? -29.683 -31.856 -50.323 1.00 30.55 ? 228 TYR A CZ 1 ATOM 1702 O OH . TYR A 1 226 ? -29.709 -30.580 -49.812 1.00 24.77 ? 228 TYR A OH 1 ATOM 1703 N N . PHE A 1 227 ? -29.465 -35.921 -55.028 1.00 31.32 ? 229 PHE A N 1 ATOM 1704 C CA . PHE A 1 227 ? -29.778 -35.258 -56.282 1.00 30.57 ? 229 PHE A CA 1 ATOM 1705 C C . PHE A 1 227 ? -30.913 -34.255 -56.092 1.00 30.84 ? 229 PHE A C 1 ATOM 1706 O O . PHE A 1 227 ? -31.793 -34.446 -55.255 1.00 36.53 ? 229 PHE A O 1 ATOM 1707 C CB . PHE A 1 227 ? -30.133 -36.288 -57.345 1.00 30.51 ? 229 PHE A CB 1 ATOM 1708 C CG . PHE A 1 227 ? -28.962 -37.114 -57.794 1.00 29.35 ? 229 PHE A CG 1 ATOM 1709 C CD1 . PHE A 1 227 ? -27.998 -36.574 -58.634 1.00 32.78 ? 229 PHE A CD1 1 ATOM 1710 C CD2 . PHE A 1 227 ? -28.819 -38.428 -57.374 1.00 32.90 ? 229 PHE A CD2 1 ATOM 1711 C CE1 . PHE A 1 227 ? -26.911 -37.334 -59.054 1.00 38.08 ? 229 PHE A CE1 1 ATOM 1712 C CE2 . PHE A 1 227 ? -27.732 -39.197 -57.791 1.00 33.92 ? 229 PHE A CE2 1 ATOM 1713 C CZ . PHE A 1 227 ? -26.779 -38.650 -58.632 1.00 32.49 ? 229 PHE A CZ 1 ATOM 1714 N N . VAL A 1 228 ? -30.869 -33.170 -56.853 1.00 27.04 ? 230 VAL A N 1 ATOM 1715 C CA . VAL A 1 228 ? -31.908 -32.149 -56.800 1.00 32.84 ? 230 VAL A CA 1 ATOM 1716 C C . VAL A 1 228 ? -32.651 -32.069 -58.134 1.00 36.23 ? 230 VAL A C 1 ATOM 1717 O O . VAL A 1 228 ? -32.037 -31.835 -59.175 1.00 38.78 ? 230 VAL A O 1 ATOM 1718 C CB . VAL A 1 228 ? -31.320 -30.764 -56.452 1.00 38.02 ? 230 VAL A CB 1 ATOM 1719 C CG1 . VAL A 1 228 ? -32.380 -29.693 -56.590 1.00 37.17 ? 230 VAL A CG1 1 ATOM 1720 C CG2 . VAL A 1 228 ? -30.739 -30.763 -55.037 1.00 29.15 ? 230 VAL A CG2 1 ATOM 1721 N N . TYR A 1 229 ? -33.966 -32.276 -58.102 1.00 40.50 ? 231 TYR A N 1 ATOM 1722 C CA . TYR A 1 229 ? -34.788 -32.210 -59.316 1.00 40.85 ? 231 TYR A CA 1 ATOM 1723 C C . TYR A 1 229 ? -35.753 -31.025 -59.312 1.00 40.75 ? 231 TYR A C 1 ATOM 1724 O O . TYR A 1 229 ? -36.236 -30.598 -58.254 1.00 36.43 ? 231 TYR A O 1 ATOM 1725 C CB . TYR A 1 229 ? -35.580 -33.508 -59.505 1.00 40.10 ? 231 TYR A CB 1 ATOM 1726 C CG . TYR A 1 229 ? -34.730 -34.680 -59.933 1.00 39.02 ? 231 TYR A CG 1 ATOM 1727 C CD1 . TYR A 1 229 ? -34.492 -34.936 -61.280 1.00 34.70 ? 231 TYR A CD1 1 ATOM 1728 C CD2 . TYR A 1 229 ? -34.165 -35.530 -58.995 1.00 36.57 ? 231 TYR A CD2 1 ATOM 1729 C CE1 . TYR A 1 229 ? -33.712 -36.006 -61.676 1.00 34.34 ? 231 TYR A CE1 1 ATOM 1730 C CE2 . TYR A 1 229 ? -33.382 -36.608 -59.385 1.00 37.55 ? 231 TYR A CE2 1 ATOM 1731 C CZ . TYR A 1 229 ? -33.158 -36.837 -60.723 1.00 34.89 ? 231 TYR A CZ 1 ATOM 1732 O OH . TYR A 1 229 ? -32.379 -37.903 -61.109 1.00 40.42 ? 231 TYR A OH 1 ATOM 1733 N N . GLU A 1 230 ? -36.033 -30.511 -60.509 1.00 39.50 ? 232 GLU A N 1 ATOM 1734 C CA . GLU A 1 230 ? -36.931 -29.374 -60.692 1.00 41.12 ? 232 GLU A CA 1 ATOM 1735 C C . GLU A 1 230 ? -38.357 -29.642 -60.191 1.00 42.45 ? 232 GLU A C 1 ATOM 1736 O O . GLU A 1 230 ? -38.976 -28.777 -59.563 1.00 37.28 ? 232 GLU A O 1 ATOM 1737 C CB . GLU A 1 230 ? -36.968 -28.979 -62.164 1.00 47.36 ? 232 GLU A CB 1 ATOM 1738 C CG . GLU A 1 230 ? -37.929 -27.851 -62.481 1.00 53.35 ? 232 GLU A CG 1 ATOM 1739 C CD . GLU A 1 230 ? -37.914 -27.486 -63.951 1.00 55.97 ? 232 GLU A CD 1 ATOM 1740 O OE1 . GLU A 1 230 ? -36.843 -27.628 -64.581 1.00 56.44 ? 232 GLU A OE1 1 ATOM 1741 O OE2 . GLU A 1 230 ? -38.964 -27.056 -64.472 1.00 55.99 ? 232 GLU A OE2 1 ATOM 1742 N N . ASN A 1 231 ? -38.868 -30.837 -60.474 1.00 35.70 ? 233 ASN A N 1 ATOM 1743 C CA . ASN A 1 231 ? -40.187 -31.252 -59.999 1.00 39.15 ? 233 ASN A CA 1 ATOM 1744 C C . ASN A 1 231 ? -40.379 -32.757 -60.139 1.00 40.45 ? 233 ASN A C 1 ATOM 1745 O O . ASN A 1 231 ? -39.479 -33.465 -60.597 1.00 43.58 ? 233 ASN A O 1 ATOM 1746 C CB . ASN A 1 231 ? -41.301 -30.505 -60.751 1.00 42.88 ? 233 ASN A CB 1 ATOM 1747 C CG . ASN A 1 231 ? -41.180 -30.627 -62.266 1.00 40.33 ? 233 ASN A CG 1 ATOM 1748 O OD1 . ASN A 1 231 ? -40.834 -31.684 -62.802 1.00 40.91 ? 233 ASN A OD1 1 ATOM 1749 N ND2 . ASN A 1 231 ? -41.452 -29.533 -62.961 1.00 42.74 ? 233 ASN A ND2 1 ATOM 1750 N N . LYS A 1 232 ? -41.556 -33.243 -59.757 1.00 36.67 ? 234 LYS A N 1 ATOM 1751 C CA . LYS A 1 232 ? -41.850 -34.668 -59.858 1.00 37.84 ? 234 LYS A CA 1 ATOM 1752 C C . LYS A 1 232 ? -41.878 -35.115 -61.311 1.00 37.08 ? 234 LYS A C 1 ATOM 1753 O O . LYS A 1 232 ? -41.389 -36.196 -61.640 1.00 38.25 ? 234 LYS A O 1 ATOM 1754 C CB . LYS A 1 232 ? -43.183 -34.998 -59.186 1.00 36.14 ? 234 LYS A CB 1 ATOM 1755 C CG . LYS A 1 232 ? -43.526 -36.479 -59.207 1.00 35.54 ? 234 LYS A CG 1 ATOM 1756 C CD . LYS A 1 232 ? -44.885 -36.750 -58.576 1.00 38.61 ? 234 LYS A CD 1 ATOM 1757 C CE . LYS A 1 232 ? -45.125 -38.242 -58.392 1.00 31.59 ? 234 LYS A CE 1 ATOM 1758 N NZ . LYS A 1 232 ? -45.606 -38.878 -59.645 1.00 36.73 ? 234 LYS A NZ 1 ATOM 1759 N N . ALA A 1 233 ? -42.445 -34.272 -62.173 1.00 44.99 ? 235 ALA A N 1 ATOM 1760 C CA . ALA A 1 233 ? -42.592 -34.588 -63.595 1.00 47.22 ? 235 ALA A CA 1 ATOM 1761 C C . ALA A 1 233 ? -41.233 -34.813 -64.266 1.00 46.68 ? 235 ALA A C 1 ATOM 1762 O O . ALA A 1 233 ? -41.048 -35.787 -65.000 1.00 50.56 ? 235 ALA A O 1 ATOM 1763 C CB . ALA A 1 233 ? -43.364 -33.481 -64.310 1.00 41.98 ? 235 ALA A CB 1 ATOM 1764 N N . LYS A 1 234 ? -40.285 -33.921 -64.002 1.00 41.23 ? 236 LYS A N 1 ATOM 1765 C CA . LYS A 1 234 ? -38.936 -34.085 -64.522 1.00 44.27 ? 236 LYS A CA 1 ATOM 1766 C C . LYS A 1 234 ? -38.212 -35.269 -63.867 1.00 47.60 ? 236 LYS A C 1 ATOM 1767 O O . LYS A 1 234 ? -37.353 -35.895 -64.493 1.00 48.09 ? 236 LYS A O 1 ATOM 1768 C CB . LYS A 1 234 ? -38.127 -32.800 -64.332 1.00 51.57 ? 236 LYS A CB 1 ATOM 1769 C CG . LYS A 1 234 ? -38.476 -31.690 -65.321 1.00 57.56 ? 236 LYS A CG 1 ATOM 1770 C CD . LYS A 1 234 ? -37.220 -31.010 -65.850 1.00 60.02 ? 236 LYS A CD 1 ATOM 1771 C CE . LYS A 1 234 ? -37.545 -29.753 -66.651 1.00 63.35 ? 236 LYS A CE 1 ATOM 1772 N NZ . LYS A 1 234 ? -38.514 -29.977 -67.754 1.00 65.58 ? 236 LYS A NZ 1 ATOM 1773 N N . PHE A 1 235 ? -38.547 -35.578 -62.614 1.00 30.64 ? 237 PHE A N 1 ATOM 1774 C CA . PHE A 1 235 ? -37.939 -36.735 -61.960 1.00 34.15 ? 237 PHE A CA 1 ATOM 1775 C C . PHE A 1 235 ? -38.447 -38.027 -62.588 1.00 35.78 ? 237 PHE A C 1 ATOM 1776 O O . PHE A 1 235 ? -37.686 -38.985 -62.775 1.00 32.55 ? 237 PHE A O 1 ATOM 1777 C CB . PHE A 1 235 ? -38.219 -36.748 -60.451 1.00 31.50 ? 237 PHE A CB 1 ATOM 1778 C CG . PHE A 1 235 ? -37.930 -38.073 -59.798 1.00 31.25 ? 237 PHE A CG 1 ATOM 1779 C CD1 . PHE A 1 235 ? -36.625 -38.510 -59.632 1.00 30.95 ? 237 PHE A CD1 1 ATOM 1780 C CD2 . PHE A 1 235 ? -38.962 -38.890 -59.362 1.00 32.23 ? 237 PHE A CD2 1 ATOM 1781 C CE1 . PHE A 1 235 ? -36.356 -39.734 -59.045 1.00 27.75 ? 237 PHE A CE1 1 ATOM 1782 C CE2 . PHE A 1 235 ? -38.697 -40.115 -58.770 1.00 31.15 ? 237 PHE A CE2 1 ATOM 1783 C CZ . PHE A 1 235 ? -37.393 -40.534 -58.612 1.00 28.85 ? 237 PHE A CZ 1 ATOM 1784 N N . ASN A 1 236 ? -39.737 -38.038 -62.923 1.00 36.59 ? 238 ASN A N 1 ATOM 1785 C CA . ASN A 1 236 ? -40.397 -39.238 -63.428 1.00 38.86 ? 238 ASN A CA 1 ATOM 1786 C C . ASN A 1 236 ? -40.012 -39.608 -64.863 1.00 39.45 ? 238 ASN A C 1 ATOM 1787 O O . ASN A 1 236 ? -40.522 -40.578 -65.416 1.00 45.04 ? 238 ASN A O 1 ATOM 1788 C CB . ASN A 1 236 ? -41.917 -39.086 -63.316 1.00 40.30 ? 238 ASN A CB 1 ATOM 1789 C CG . ASN A 1 236 ? -42.432 -39.410 -61.923 1.00 33.80 ? 238 ASN A CG 1 ATOM 1790 O OD1 . ASN A 1 236 ? -43.501 -38.958 -61.521 1.00 35.94 ? 238 ASN A OD1 1 ATOM 1791 N ND2 . ASN A 1 236 ? -41.658 -40.186 -61.173 1.00 34.98 ? 238 ASN A ND2 1 ATOM 1792 N N . THR A 1 237 ? -39.107 -38.845 -65.462 1.00 49.89 ? 239 THR A N 1 ATOM 1793 C CA . THR A 1 237 ? -38.505 -39.259 -66.719 1.00 49.86 ? 239 THR A CA 1 ATOM 1794 C C . THR A 1 237 ? -37.270 -40.100 -66.412 1.00 53.88 ? 239 THR A C 1 ATOM 1795 O O . THR A 1 237 ? -36.594 -40.581 -67.322 1.00 57.73 ? 239 THR A O 1 ATOM 1796 C CB . THR A 1 237 ? -38.120 -38.059 -67.612 1.00 52.54 ? 239 THR A CB 1 ATOM 1797 O OG1 . THR A 1 237 ? -37.098 -37.281 -66.975 1.00 55.95 ? 239 THR A OG1 1 ATOM 1798 C CG2 . THR A 1 237 ? -39.332 -37.176 -67.876 1.00 46.93 ? 239 THR A CG2 1 ATOM 1799 N N . PHE A 1 238 ? -36.986 -40.279 -65.123 1.00 43.01 ? 240 PHE A N 1 ATOM 1800 C CA . PHE A 1 238 ? -35.860 -41.105 -64.685 1.00 49.61 ? 240 PHE A CA 1 ATOM 1801 C C . PHE A 1 238 ? -36.288 -42.233 -63.750 1.00 47.75 ? 240 PHE A C 1 ATOM 1802 O O . PHE A 1 238 ? -35.779 -43.352 -63.853 1.00 44.95 ? 240 PHE A O 1 ATOM 1803 C CB . PHE A 1 238 ? -34.796 -40.247 -63.992 1.00 50.25 ? 240 PHE A CB 1 ATOM 1804 C CG . PHE A 1 238 ? -34.105 -39.286 -64.911 1.00 47.61 ? 240 PHE A CG 1 ATOM 1805 C CD1 . PHE A 1 238 ? -33.023 -39.694 -65.672 1.00 48.20 ? 240 PHE A CD1 1 ATOM 1806 C CD2 . PHE A 1 238 ? -34.543 -37.977 -65.023 1.00 47.90 ? 240 PHE A CD2 1 ATOM 1807 C CE1 . PHE A 1 238 ? -32.385 -38.809 -66.527 1.00 50.18 ? 240 PHE A CE1 1 ATOM 1808 C CE2 . PHE A 1 238 ? -33.911 -37.089 -65.875 1.00 49.95 ? 240 PHE A CE2 1 ATOM 1809 C CZ . PHE A 1 238 ? -32.830 -37.506 -66.627 1.00 47.61 ? 240 PHE A CZ 1 ATOM 1810 N N . GLY A 1 239 ? -37.217 -41.940 -62.841 1.00 43.74 ? 241 GLY A N 1 ATOM 1811 C CA . GLY A 1 239 ? -37.676 -42.933 -61.881 1.00 42.73 ? 241 GLY A CA 1 ATOM 1812 C C . GLY A 1 239 ? -39.155 -42.860 -61.543 1.00 41.47 ? 241 GLY A C 1 ATOM 1813 O O . GLY A 1 239 ? -39.841 -41.910 -61.915 1.00 41.18 ? 241 GLY A O 1 ATOM 1814 N N . CYS A 1 240 ? -39.648 -43.869 -60.829 1.00 49.59 ? 242 CYS A N 1 ATOM 1815 C CA . CYS A 1 240 ? -41.055 -43.918 -60.430 1.00 45.86 ? 242 CYS A CA 1 ATOM 1816 C C . CYS A 1 240 ? -41.240 -43.448 -58.991 1.00 42.00 ? 242 CYS A C 1 ATOM 1817 O O . CYS A 1 240 ? -40.411 -43.731 -58.132 1.00 51.19 ? 242 CYS A O 1 ATOM 1818 C CB . CYS A 1 240 ? -41.611 -45.333 -60.597 1.00 49.78 ? 242 CYS A CB 1 ATOM 1819 S SG . CYS A 1 240 ? -41.026 -46.199 -62.079 1.00 58.81 ? 242 CYS A SG 1 ATOM 1820 N N . GLY A 1 241 ? -42.324 -42.724 -58.733 1.00 35.08 ? 243 GLY A N 1 ATOM 1821 C CA . GLY A 1 241 ? -42.567 -42.153 -57.419 1.00 38.15 ? 243 GLY A CA 1 ATOM 1822 C C . GLY A 1 241 ? -41.978 -40.755 -57.280 1.00 41.52 ? 243 GLY A C 1 ATOM 1823 O O . GLY A 1 241 ? -41.875 -40.015 -58.258 1.00 35.93 ? 243 GLY A O 1 ATOM 1824 N N . ASP A 1 242 ? -41.604 -40.384 -56.059 1.00 39.79 ? 244 ASP A N 1 ATOM 1825 C CA . ASP A 1 242 ? -40.893 -39.129 -55.837 1.00 39.73 ? 244 ASP A CA 1 ATOM 1826 C C . ASP A 1 242 ? -39.418 -39.415 -55.577 1.00 37.62 ? 244 ASP A C 1 ATOM 1827 O O . ASP A 1 242 ? -39.067 -40.485 -55.079 1.00 35.78 ? 244 ASP A O 1 ATOM 1828 C CB . ASP A 1 242 ? -41.495 -38.345 -54.667 1.00 33.37 ? 244 ASP A CB 1 ATOM 1829 C CG . ASP A 1 242 ? -42.799 -37.660 -55.033 1.00 38.72 ? 244 ASP A CG 1 ATOM 1830 O OD1 . ASP A 1 242 ? -43.871 -38.192 -54.677 1.00 45.39 ? 244 ASP A OD1 1 ATOM 1831 O OD2 . ASP A 1 242 ? -42.756 -36.598 -55.689 1.00 38.15 ? 244 ASP A OD2 1 ATOM 1832 N N . TYR A 1 243 ? -38.546 -38.474 -55.918 1.00 36.12 ? 245 TYR A N 1 ATOM 1833 C CA . TYR A 1 243 ? -37.144 -38.680 -55.601 1.00 35.69 ? 245 TYR A CA 1 ATOM 1834 C C . TYR A 1 243 ? -36.947 -38.681 -54.093 1.00 37.40 ? 245 TYR A C 1 ATOM 1835 O O . TYR A 1 243 ? -37.563 -37.886 -53.372 1.00 30.67 ? 245 TYR A O 1 ATOM 1836 C CB . TYR A 1 243 ? -36.248 -37.617 -56.225 1.00 30.94 ? 245 TYR A CB 1 ATOM 1837 C CG . TYR A 1 243 ? -34.831 -37.762 -55.735 1.00 34.72 ? 245 TYR A CG 1 ATOM 1838 C CD1 . TYR A 1 243 ? -33.969 -38.679 -56.321 1.00 29.03 ? 245 TYR A CD1 1 ATOM 1839 C CD2 . TYR A 1 243 ? -34.369 -37.022 -54.646 1.00 31.11 ? 245 TYR A CD2 1 ATOM 1840 C CE1 . TYR A 1 243 ? -32.682 -38.840 -55.853 1.00 28.32 ? 245 TYR A CE1 1 ATOM 1841 C CE2 . TYR A 1 243 ? -33.090 -37.179 -54.172 1.00 30.34 ? 245 TYR A CE2 1 ATOM 1842 C CZ . TYR A 1 243 ? -32.246 -38.084 -54.780 1.00 30.25 ? 245 TYR A CZ 1 ATOM 1843 O OH . TYR A 1 243 ? -30.962 -38.224 -54.302 1.00 32.42 ? 245 TYR A OH 1 ATOM 1844 N N . TYR A 1 244 ? -36.087 -39.575 -53.620 1.00 34.36 ? 246 TYR A N 1 ATOM 1845 C CA . TYR A 1 244 ? -35.634 -39.495 -52.242 1.00 32.56 ? 246 TYR A CA 1 ATOM 1846 C C . TYR A 1 244 ? -34.295 -40.176 -52.051 1.00 31.61 ? 246 TYR A C 1 ATOM 1847 O O . TYR A 1 244 ? -33.944 -41.135 -52.745 1.00 29.92 ? 246 TYR A O 1 ATOM 1848 C CB . TYR A 1 244 ? -36.671 -40.093 -51.279 1.00 32.85 ? 246 TYR A CB 1 ATOM 1849 C CG . TYR A 1 244 ? -36.875 -41.587 -51.416 1.00 35.92 ? 246 TYR A CG 1 ATOM 1850 C CD1 . TYR A 1 244 ? -36.256 -42.476 -50.543 1.00 34.52 ? 246 TYR A CD1 1 ATOM 1851 C CD2 . TYR A 1 244 ? -37.684 -42.107 -52.417 1.00 33.46 ? 246 TYR A CD2 1 ATOM 1852 C CE1 . TYR A 1 244 ? -36.445 -43.836 -50.657 1.00 34.20 ? 246 TYR A CE1 1 ATOM 1853 C CE2 . TYR A 1 244 ? -37.879 -43.465 -52.540 1.00 33.07 ? 246 TYR A CE2 1 ATOM 1854 C CZ . TYR A 1 244 ? -37.258 -44.325 -51.659 1.00 36.31 ? 246 TYR A CZ 1 ATOM 1855 O OH . TYR A 1 244 ? -37.449 -45.681 -51.782 1.00 36.90 ? 246 TYR A OH 1 ATOM 1856 N N . GLN A 1 245 ? -33.553 -39.636 -51.094 1.00 37.59 ? 247 GLN A N 1 ATOM 1857 C CA . GLN A 1 245 ? -32.321 -40.219 -50.606 1.00 33.10 ? 247 GLN A CA 1 ATOM 1858 C C . GLN A 1 245 ? -32.146 -39.806 -49.148 1.00 35.94 ? 247 GLN A C 1 ATOM 1859 O O . GLN A 1 245 ? -31.866 -38.639 -48.853 1.00 32.98 ? 247 GLN A O 1 ATOM 1860 C CB . GLN A 1 245 ? -31.137 -39.770 -51.448 1.00 30.39 ? 247 GLN A CB 1 ATOM 1861 C CG . GLN A 1 245 ? -29.819 -40.321 -50.974 1.00 34.87 ? 247 GLN A CG 1 ATOM 1862 C CD . GLN A 1 245 ? -29.165 -41.302 -51.922 1.00 37.88 ? 247 GLN A CD 1 ATOM 1863 O OE1 . GLN A 1 245 ? -29.622 -41.539 -53.044 1.00 51.97 ? 247 GLN A OE1 1 ATOM 1864 N NE2 . GLN A 1 245 ? -28.049 -41.846 -51.484 1.00 41.86 ? 247 GLN A NE2 1 ATOM 1865 N N . ASN A 1 246 ? -32.324 -40.767 -48.245 1.00 30.01 ? 248 ASN A N 1 ATOM 1866 C CA . ASN A 1 246 ? -32.325 -40.471 -46.817 1.00 31.01 ? 248 ASN A CA 1 ATOM 1867 C C . ASN A 1 246 ? -31.200 -41.166 -46.054 1.00 28.83 ? 248 ASN A C 1 ATOM 1868 O O . ASN A 1 246 ? -30.877 -42.327 -46.302 1.00 28.19 ? 248 ASN A O 1 ATOM 1869 C CB . ASN A 1 246 ? -33.678 -40.845 -46.198 1.00 27.89 ? 248 ASN A CB 1 ATOM 1870 C CG . ASN A 1 246 ? -34.812 -39.959 -46.690 1.00 34.82 ? 248 ASN A CG 1 ATOM 1871 O OD1 . ASN A 1 246 ? -34.750 -38.725 -46.595 1.00 29.31 ? 248 ASN A OD1 1 ATOM 1872 N ND2 . ASN A 1 246 ? -35.852 -40.585 -47.234 1.00 32.74 ? 248 ASN A ND2 1 ATOM 1873 N N . TYR A 1 247 ? -30.609 -40.439 -45.119 1.00 23.43 ? 249 TYR A N 1 ATOM 1874 C CA . TYR A 1 247 ? -29.526 -40.974 -44.314 1.00 24.47 ? 249 TYR A CA 1 ATOM 1875 C C . TYR A 1 247 ? -30.010 -41.222 -42.887 1.00 22.94 ? 249 TYR A C 1 ATOM 1876 O O . TYR A 1 247 ? -30.691 -40.377 -42.298 1.00 20.96 ? 249 TYR A O 1 ATOM 1877 C CB . TYR A 1 247 ? -28.337 -40.015 -44.313 1.00 22.69 ? 249 TYR A CB 1 ATOM 1878 C CG . TYR A 1 247 ? -27.695 -39.778 -45.664 1.00 24.97 ? 249 TYR A CG 1 ATOM 1879 C CD1 . TYR A 1 247 ? -26.491 -40.394 -45.992 1.00 23.36 ? 249 TYR A CD1 1 ATOM 1880 C CD2 . TYR A 1 247 ? -28.270 -38.916 -46.598 1.00 24.00 ? 249 TYR A CD2 1 ATOM 1881 C CE1 . TYR A 1 247 ? -25.885 -40.179 -47.210 1.00 18.84 ? 249 TYR A CE1 1 ATOM 1882 C CE2 . TYR A 1 247 ? -27.667 -38.690 -47.831 1.00 20.48 ? 249 TYR A CE2 1 ATOM 1883 C CZ . TYR A 1 247 ? -26.472 -39.327 -48.126 1.00 23.16 ? 249 TYR A CZ 1 ATOM 1884 O OH . TYR A 1 247 ? -25.849 -39.125 -49.334 1.00 23.97 ? 249 TYR A OH 1 ATOM 1885 N N . TYR A 1 248 ? -29.649 -42.375 -42.334 1.00 23.90 ? 250 TYR A N 1 ATOM 1886 C CA . TYR A 1 248 ? -30.127 -42.792 -41.016 1.00 25.37 ? 250 TYR A CA 1 ATOM 1887 C C . TYR A 1 248 ? -28.970 -43.202 -40.120 1.00 24.64 ? 250 TYR A C 1 ATOM 1888 O O . TYR A 1 248 ? -27.951 -43.679 -40.616 1.00 25.68 ? 250 TYR A O 1 ATOM 1889 C CB . TYR A 1 248 ? -31.110 -43.960 -41.144 1.00 24.42 ? 250 TYR A CB 1 ATOM 1890 C CG . TYR A 1 248 ? -32.331 -43.667 -41.987 1.00 27.72 ? 250 TYR A CG 1 ATOM 1891 C CD1 . TYR A 1 248 ? -33.489 -43.149 -41.414 1.00 28.42 ? 250 TYR A CD1 1 ATOM 1892 C CD2 . TYR A 1 248 ? -32.333 -43.915 -43.353 1.00 26.53 ? 250 TYR A CD2 1 ATOM 1893 C CE1 . TYR A 1 248 ? -34.609 -42.884 -42.176 1.00 21.64 ? 250 TYR A CE1 1 ATOM 1894 C CE2 . TYR A 1 248 ? -33.451 -43.651 -44.124 1.00 29.37 ? 250 TYR A CE2 1 ATOM 1895 C CZ . TYR A 1 248 ? -34.588 -43.132 -43.527 1.00 26.11 ? 250 TYR A CZ 1 ATOM 1896 O OH . TYR A 1 248 ? -35.705 -42.859 -44.290 1.00 27.16 ? 250 TYR A OH 1 ATOM 1897 N N . ASP A 1 249 ? -29.120 -43.028 -38.807 1.00 22.67 ? 251 ASP A N 1 ATOM 1898 C CA . ASP A 1 249 ? -28.162 -43.623 -37.886 1.00 23.00 ? 251 ASP A CA 1 ATOM 1899 C C . ASP A 1 249 ? -28.538 -45.082 -37.652 1.00 23.56 ? 251 ASP A C 1 ATOM 1900 O O . ASP A 1 249 ? -29.480 -45.595 -38.257 1.00 26.94 ? 251 ASP A O 1 ATOM 1901 C CB . ASP A 1 249 ? -28.062 -42.842 -36.559 1.00 24.15 ? 251 ASP A CB 1 ATOM 1902 C CG . ASP A 1 249 ? -29.346 -42.854 -35.739 1.00 27.47 ? 251 ASP A CG 1 ATOM 1903 O OD1 . ASP A 1 249 ? -30.282 -43.633 -36.020 1.00 30.92 ? 251 ASP A OD1 1 ATOM 1904 O OD2 . ASP A 1 249 ? -29.407 -42.069 -34.771 1.00 27.96 ? 251 ASP A OD2 1 ATOM 1905 N N . GLY A 1 250 ? -27.803 -45.750 -36.775 1.00 24.23 ? 252 GLY A N 1 ATOM 1906 C CA . GLY A 1 250 ? -28.014 -47.165 -36.537 1.00 26.54 ? 252 GLY A CA 1 ATOM 1907 C C . GLY A 1 250 ? -29.379 -47.528 -35.974 1.00 31.11 ? 252 GLY A C 1 ATOM 1908 O O . GLY A 1 250 ? -29.759 -48.699 -35.993 1.00 30.84 ? 252 GLY A O 1 ATOM 1909 N N . ASN A 1 251 ? -30.115 -46.539 -35.467 1.00 26.56 ? 253 ASN A N 1 ATOM 1910 C CA . ASN A 1 251 ? -31.443 -46.795 -34.906 1.00 26.99 ? 253 ASN A CA 1 ATOM 1911 C C . ASN A 1 251 ? -32.564 -46.459 -35.880 1.00 26.72 ? 253 ASN A C 1 ATOM 1912 O O . ASN A 1 251 ? -33.692 -46.919 -35.718 1.00 24.02 ? 253 ASN A O 1 ATOM 1913 C CB . ASN A 1 251 ? -31.649 -46.002 -33.616 1.00 26.55 ? 253 ASN A CB 1 ATOM 1914 C CG . ASN A 1 251 ? -30.749 -46.469 -32.495 1.00 25.07 ? 253 ASN A CG 1 ATOM 1915 O OD1 . ASN A 1 251 ? -29.685 -45.900 -32.261 1.00 26.96 ? 253 ASN A OD1 1 ATOM 1916 N ND2 . ASN A 1 251 ? -31.183 -47.498 -31.780 1.00 23.49 ? 253 ASN A ND2 1 ATOM 1917 N N . GLY A 1 252 ? -32.253 -45.641 -36.881 1.00 31.47 ? 254 GLY A N 1 ATOM 1918 C CA . GLY A 1 252 ? -33.241 -45.246 -37.864 1.00 27.63 ? 254 GLY A CA 1 ATOM 1919 C C . GLY A 1 252 ? -33.673 -43.798 -37.745 1.00 26.69 ? 254 GLY A C 1 ATOM 1920 O O . GLY A 1 252 ? -34.669 -43.398 -38.339 1.00 30.81 ? 254 GLY A O 1 ATOM 1921 N N . ASN A 1 253 ? -32.933 -43.008 -36.972 1.00 32.75 ? 255 ASN A N 1 ATOM 1922 C CA . ASN A 1 253 ? -33.160 -41.565 -36.933 1.00 29.00 ? 255 ASN A CA 1 ATOM 1923 C C . ASN A 1 253 ? -32.660 -40.901 -38.217 1.00 28.53 ? 255 ASN A C 1 ATOM 1924 O O . ASN A 1 253 ? -31.501 -41.063 -38.592 1.00 27.71 ? 255 ASN A O 1 ATOM 1925 C CB . ASN A 1 253 ? -32.469 -40.937 -35.720 1.00 29.14 ? 255 ASN A CB 1 ATOM 1926 C CG . ASN A 1 253 ? -32.956 -41.515 -34.408 1.00 32.23 ? 255 ASN A CG 1 ATOM 1927 O OD1 . ASN A 1 253 ? -34.072 -41.237 -33.976 1.00 33.61 ? 255 ASN A OD1 1 ATOM 1928 N ND2 . ASN A 1 253 ? -32.114 -42.312 -33.758 1.00 26.92 ? 255 ASN A ND2 1 ATOM 1929 N N . LEU A 1 254 ? -33.540 -40.167 -38.890 1.00 23.78 ? 256 LEU A N 1 ATOM 1930 C CA . LEU A 1 254 ? -33.168 -39.405 -40.081 1.00 29.40 ? 256 LEU A CA 1 ATOM 1931 C C . LEU A 1 254 ? -32.160 -38.291 -39.742 1.00 25.77 ? 256 LEU A C 1 ATOM 1932 O O . LEU A 1 254 ? -32.467 -37.385 -38.973 1.00 26.08 ? 256 LEU A O 1 ATOM 1933 C CB . LEU A 1 254 ? -34.415 -38.807 -40.733 1.00 23.81 ? 256 LEU A CB 1 ATOM 1934 C CG . LEU A 1 254 ? -34.212 -38.009 -42.021 1.00 27.81 ? 256 LEU A CG 1 ATOM 1935 C CD1 . LEU A 1 254 ? -33.918 -38.947 -43.182 1.00 23.53 ? 256 LEU A CD1 1 ATOM 1936 C CD2 . LEU A 1 254 ? -35.426 -37.132 -42.319 1.00 25.23 ? 256 LEU A CD2 1 ATOM 1937 N N . ILE A 1 255 ? -30.963 -38.364 -40.318 1.00 25.25 ? 257 ILE A N 1 ATOM 1938 C CA . ILE A 1 255 ? -29.904 -37.400 -40.023 1.00 21.99 ? 257 ILE A CA 1 ATOM 1939 C C . ILE A 1 255 ? -29.490 -36.544 -41.221 1.00 26.36 ? 257 ILE A C 1 ATOM 1940 O O . ILE A 1 255 ? -28.661 -35.646 -41.080 1.00 28.81 ? 257 ILE A O 1 ATOM 1941 C CB . ILE A 1 255 ? -28.645 -38.102 -39.503 1.00 27.52 ? 257 ILE A CB 1 ATOM 1942 C CG1 . ILE A 1 255 ? -28.199 -39.174 -40.508 1.00 26.41 ? 257 ILE A CG1 1 ATOM 1943 C CG2 . ILE A 1 255 ? -28.890 -38.693 -38.103 1.00 22.56 ? 257 ILE A CG2 1 ATOM 1944 C CD1 . ILE A 1 255 ? -26.727 -39.500 -40.440 1.00 26.37 ? 257 ILE A CD1 1 ATOM 1945 N N . GLY A 1 256 ? -30.058 -36.814 -42.394 1.00 23.75 ? 258 GLY A N 1 ATOM 1946 C CA . GLY A 1 256 ? -29.660 -36.103 -43.600 1.00 24.59 ? 258 GLY A CA 1 ATOM 1947 C C . GLY A 1 256 ? -30.325 -36.625 -44.864 1.00 24.48 ? 258 GLY A C 1 ATOM 1948 O O . GLY A 1 256 ? -31.023 -37.639 -44.845 1.00 25.54 ? 258 GLY A O 1 ATOM 1949 N N . GLY A 1 257 ? -30.115 -35.919 -45.969 1.00 24.77 ? 259 GLY A N 1 ATOM 1950 C CA . GLY A 1 257 ? -30.668 -36.328 -47.245 1.00 22.50 ? 259 GLY A CA 1 ATOM 1951 C C . GLY A 1 257 ? -31.680 -35.364 -47.835 1.00 26.04 ? 259 GLY A C 1 ATOM 1952 O O . GLY A 1 257 ? -31.787 -34.208 -47.415 1.00 23.70 ? 259 GLY A O 1 ATOM 1953 N N . MET A 1 258 ? -32.416 -35.846 -48.832 1.00 26.24 ? 260 MET A N 1 ATOM 1954 C CA . MET A 1 258 ? -33.469 -35.063 -49.470 1.00 29.52 ? 260 MET A CA 1 ATOM 1955 C C . MET A 1 258 ? -34.638 -35.978 -49.811 1.00 30.47 ? 260 MET A C 1 ATOM 1956 O O . MET A 1 258 ? -34.476 -36.959 -50.548 1.00 28.46 ? 260 MET A O 1 ATOM 1957 C CB . MET A 1 258 ? -32.948 -34.353 -50.732 1.00 26.75 ? 260 MET A CB 1 ATOM 1958 C CG . MET A 1 258 ? -34.030 -33.774 -51.650 1.00 27.15 ? 260 MET A CG 1 ATOM 1959 S SD . MET A 1 258 ? -34.958 -32.398 -50.948 1.00 30.90 ? 260 MET A SD 1 ATOM 1960 C CE . MET A 1 258 ? -33.666 -31.152 -50.829 1.00 28.82 ? 260 MET A CE 1 ATOM 1961 N N . ASP A 1 259 ? -35.809 -35.660 -49.264 1.00 26.72 ? 261 ASP A N 1 ATOM 1962 C CA . ASP A 1 259 ? -36.983 -36.499 -49.451 1.00 33.76 ? 261 ASP A CA 1 ATOM 1963 C C . ASP A 1 259 ? -38.152 -35.705 -50.025 1.00 36.31 ? 261 ASP A C 1 ATOM 1964 O O . ASP A 1 259 ? -38.846 -34.981 -49.299 1.00 27.20 ? 261 ASP A O 1 ATOM 1965 C CB . ASP A 1 259 ? -37.391 -37.152 -48.130 1.00 32.01 ? 261 ASP A CB 1 ATOM 1966 C CG . ASP A 1 259 ? -38.404 -38.271 -48.323 1.00 35.58 ? 261 ASP A CG 1 ATOM 1967 O OD1 . ASP A 1 259 ? -38.975 -38.385 -49.434 1.00 30.67 ? 261 ASP A OD1 1 ATOM 1968 O OD2 . ASP A 1 259 ? -38.630 -39.033 -47.359 1.00 33.95 ? 261 ASP A OD2 1 ATOM 1969 N N . ASN A 1 260 ? -38.384 -35.872 -51.325 1.00 36.77 ? 262 ASN A N 1 ATOM 1970 C CA . ASN A 1 260 ? -39.405 -35.090 -52.012 1.00 39.70 ? 262 ASN A CA 1 ATOM 1971 C C . ASN A 1 260 ? -40.790 -35.722 -51.948 1.00 37.59 ? 262 ASN A C 1 ATOM 1972 O O . ASN A 1 260 ? -41.704 -35.301 -52.649 1.00 42.57 ? 262 ASN A O 1 ATOM 1973 C CB . ASN A 1 260 ? -38.999 -34.854 -53.463 1.00 38.51 ? 262 ASN A CB 1 ATOM 1974 C CG . ASN A 1 260 ? -37.766 -33.988 -53.579 1.00 36.78 ? 262 ASN A CG 1 ATOM 1975 O OD1 . ASN A 1 260 ? -36.754 -34.402 -54.141 1.00 34.98 ? 262 ASN A OD1 1 ATOM 1976 N ND2 . ASN A 1 260 ? -37.837 -32.781 -53.025 1.00 35.95 ? 262 ASN A ND2 1 ATOM 1977 N N . ARG A 1 261 ? -40.934 -36.729 -51.098 1.00 34.56 ? 263 ARG A N 1 ATOM 1978 C CA . ARG A 1 261 ? -42.242 -37.266 -50.768 1.00 34.88 ? 263 ARG A CA 1 ATOM 1979 C C . ARG A 1 261 ? -42.917 -36.368 -49.741 1.00 32.20 ? 263 ARG A C 1 ATOM 1980 O O . ARG A 1 261 ? -44.140 -36.359 -49.626 1.00 36.37 ? 263 ARG A O 1 ATOM 1981 C CB . ARG A 1 261 ? -42.129 -38.702 -50.240 1.00 34.48 ? 263 ARG A CB 1 ATOM 1982 C CG . ARG A 1 261 ? -41.675 -39.715 -51.288 1.00 35.59 ? 263 ARG A CG 1 ATOM 1983 C CD . ARG A 1 261 ? -41.406 -41.094 -50.672 1.00 35.48 ? 263 ARG A CD 1 ATOM 1984 N NE . ARG A 1 261 ? -40.340 -41.047 -49.674 1.00 36.22 ? 263 ARG A NE 1 ATOM 1985 C CZ . ARG A 1 261 ? -39.681 -42.107 -49.210 1.00 37.78 ? 263 ARG A CZ 1 ATOM 1986 N NH1 . ARG A 1 261 ? -39.961 -43.332 -49.650 1.00 26.72 ? 263 ARG A NH1 1 ATOM 1987 N NH2 . ARG A 1 261 ? -38.729 -41.936 -48.304 1.00 34.89 ? 263 ARG A NH2 1 ATOM 1988 N N . VAL A 1 262 ? -42.117 -35.609 -48.996 1.00 40.02 ? 264 VAL A N 1 ATOM 1989 C CA . VAL A 1 262 ? -42.654 -34.695 -47.990 1.00 37.62 ? 264 VAL A CA 1 ATOM 1990 C C . VAL A 1 262 ? -42.172 -33.260 -48.219 1.00 37.12 ? 264 VAL A C 1 ATOM 1991 O O . VAL A 1 262 ? -42.863 -32.298 -47.861 1.00 33.57 ? 264 VAL A O 1 ATOM 1992 C CB . VAL A 1 262 ? -42.285 -35.144 -46.536 1.00 37.07 ? 264 VAL A CB 1 ATOM 1993 C CG1 . VAL A 1 262 ? -43.111 -36.354 -46.115 1.00 33.89 ? 264 VAL A CG1 1 ATOM 1994 C CG2 . VAL A 1 262 ? -40.797 -35.432 -46.397 1.00 31.84 ? 264 VAL A CG2 1 ATOM 1995 N N . ALA A 1 263 ? -40.997 -33.116 -48.829 1.00 32.49 ? 265 ALA A N 1 ATOM 1996 C CA . ALA A 1 263 ? -40.435 -31.790 -49.075 1.00 33.81 ? 265 ALA A CA 1 ATOM 1997 C C . ALA A 1 263 ? -40.589 -31.372 -50.529 1.00 33.59 ? 265 ALA A C 1 ATOM 1998 O O . ALA A 1 263 ? -40.360 -32.164 -51.434 1.00 36.42 ? 265 ALA A O 1 ATOM 1999 C CB . ALA A 1 263 ? -38.963 -31.748 -48.673 1.00 29.07 ? 265 ALA A CB 1 ATOM 2000 N N . ALA A 1 264 ? -40.976 -30.118 -50.739 1.00 36.84 ? 266 ALA A N 1 ATOM 2001 C CA . ALA A 1 264 ? -41.072 -29.533 -52.074 1.00 37.93 ? 266 ALA A CA 1 ATOM 2002 C C . ALA A 1 264 ? -39.786 -29.677 -52.892 1.00 41.41 ? 266 ALA A C 1 ATOM 2003 O O . ALA A 1 264 ? -38.681 -29.513 -52.369 1.00 40.40 ? 266 ALA A O 1 ATOM 2004 C CB . ALA A 1 264 ? -41.447 -28.057 -51.962 1.00 35.76 ? 266 ALA A CB 1 ATOM 2005 N N . TYR A 1 265 ? -39.938 -29.992 -54.177 1.00 39.46 ? 267 TYR A N 1 ATOM 2006 C CA . TYR A 1 265 ? -38.830 -29.900 -55.130 1.00 37.28 ? 267 TYR A CA 1 ATOM 2007 C C . TYR A 1 265 ? -38.326 -28.456 -55.222 1.00 37.33 ? 267 TYR A C 1 ATOM 2008 O O . TYR A 1 265 ? -39.120 -27.516 -55.180 1.00 41.92 ? 267 TYR A O 1 ATOM 2009 C CB . TYR A 1 265 ? -39.260 -30.386 -56.515 1.00 32.76 ? 267 TYR A CB 1 ATOM 2010 C CG . TYR A 1 265 ? -39.530 -31.868 -56.600 1.00 34.36 ? 267 TYR A CG 1 ATOM 2011 C CD1 . TYR A 1 265 ? -38.534 -32.744 -56.994 1.00 37.52 ? 267 TYR A CD1 1 ATOM 2012 C CD2 . TYR A 1 265 ? -40.782 -32.390 -56.297 1.00 32.99 ? 267 TYR A CD2 1 ATOM 2013 C CE1 . TYR A 1 265 ? -38.765 -34.098 -57.078 1.00 36.03 ? 267 TYR A CE1 1 ATOM 2014 C CE2 . TYR A 1 265 ? -41.028 -33.749 -56.378 1.00 35.22 ? 267 TYR A CE2 1 ATOM 2015 C CZ . TYR A 1 265 ? -40.012 -34.602 -56.774 1.00 38.61 ? 267 TYR A CZ 1 ATOM 2016 O OH . TYR A 1 265 ? -40.228 -35.965 -56.863 1.00 34.05 ? 267 TYR A OH 1 ATOM 2017 N N . ARG A 1 266 ? -37.017 -28.275 -55.354 1.00 35.67 ? 268 ARG A N 1 ATOM 2018 C CA . ARG A 1 266 ? -36.462 -26.927 -55.426 1.00 36.28 ? 268 ARG A CA 1 ATOM 2019 C C . ARG A 1 266 ? -35.378 -26.793 -56.493 1.00 38.59 ? 268 ARG A C 1 ATOM 2020 O O . ARG A 1 266 ? -34.539 -25.900 -56.420 1.00 43.09 ? 268 ARG A O 1 ATOM 2021 C CB . ARG A 1 266 ? -35.908 -26.509 -54.057 1.00 35.23 ? 268 ARG A CB 1 ATOM 2022 C CG . ARG A 1 266 ? -34.668 -27.267 -53.603 1.00 33.83 ? 268 ARG A CG 1 ATOM 2023 C CD . ARG A 1 266 ? -34.331 -26.920 -52.160 1.00 31.20 ? 268 ARG A CD 1 ATOM 2024 N NE . ARG A 1 266 ? -32.978 -27.326 -51.787 1.00 33.43 ? 268 ARG A NE 1 ATOM 2025 C CZ . ARG A 1 266 ? -32.555 -27.463 -50.532 1.00 31.41 ? 268 ARG A CZ 1 ATOM 2026 N NH1 . ARG A 1 266 ? -33.379 -27.240 -49.514 1.00 30.27 ? 268 ARG A NH1 1 ATOM 2027 N NH2 . ARG A 1 266 ? -31.304 -27.830 -50.292 1.00 33.07 ? 268 ARG A NH2 1 ATOM 2028 N N . GLY A 1 267 ? -35.400 -27.673 -57.488 1.00 39.22 ? 269 GLY A N 1 ATOM 2029 C CA . GLY A 1 267 ? -34.422 -27.615 -58.560 1.00 41.07 ? 269 GLY A CA 1 ATOM 2030 C C . GLY A 1 267 ? -34.668 -26.431 -59.471 1.00 41.98 ? 269 GLY A C 1 ATOM 2031 O O . GLY A 1 267 ? -35.806 -26.175 -59.851 1.00 48.17 ? 269 GLY A O 1 ATOM 2032 N N . ILE A 1 268 ? -33.609 -25.701 -59.810 1.00 42.96 ? 270 ILE A N 1 ATOM 2033 C CA . ILE A 1 268 ? -33.724 -24.565 -60.720 1.00 43.90 ? 270 ILE A CA 1 ATOM 2034 C C . ILE A 1 268 ? -34.259 -25.033 -62.074 1.00 45.86 ? 270 ILE A C 1 ATOM 2035 O O . ILE A 1 268 ? -33.787 -26.025 -62.628 1.00 44.90 ? 270 ILE A O 1 ATOM 2036 C CB . ILE A 1 268 ? -32.371 -23.843 -60.912 1.00 46.63 ? 270 ILE A CB 1 ATOM 2037 C CG1 . ILE A 1 268 ? -31.792 -23.416 -59.559 1.00 41.77 ? 270 ILE A CG1 1 ATOM 2038 C CG2 . ILE A 1 268 ? -32.528 -22.640 -61.833 1.00 45.74 ? 270 ILE A CG2 1 ATOM 2039 C CD1 . ILE A 1 268 ? -32.754 -22.621 -58.700 1.00 40.66 ? 270 ILE A CD1 1 ATOM 2040 N N . ALA A 1 269 ? -35.250 -24.313 -62.592 1.00 47.67 ? 271 ALA A N 1 ATOM 2041 C CA . ALA A 1 269 ? -35.996 -24.743 -63.771 1.00 51.06 ? 271 ALA A CA 1 ATOM 2042 C C . ALA A 1 269 ? -35.128 -24.892 -65.020 1.00 53.44 ? 271 ALA A C 1 ATOM 2043 O O . ALA A 1 269 ? -34.334 -24.006 -65.349 1.00 48.08 ? 271 ALA A O 1 ATOM 2044 C CB . ALA A 1 269 ? -37.140 -23.781 -64.043 1.00 51.53 ? 271 ALA A CB 1 ATOM 2045 N N . ASN A 1 270 ? -35.295 -26.035 -65.690 1.00 54.84 ? 272 ASN A N 1 ATOM 2046 C CA . ASN A 1 270 ? -34.585 -26.387 -66.922 1.00 56.34 ? 272 ASN A CA 1 ATOM 2047 C C . ASN A 1 270 ? -33.069 -26.490 -66.762 1.00 55.49 ? 272 ASN A C 1 ATOM 2048 O O . ASN A 1 270 ? -32.331 -26.496 -67.749 1.00 54.00 ? 272 ASN A O 1 ATOM 2049 C CB . ASN A 1 270 ? -34.921 -25.388 -68.030 1.00 61.65 ? 272 ASN A CB 1 ATOM 2050 C CG . ASN A 1 270 ? -36.410 -25.303 -68.299 1.00 63.69 ? 272 ASN A CG 1 ATOM 2051 O OD1 . ASN A 1 270 ? -37.136 -26.290 -68.162 1.00 65.27 ? 272 ASN A OD1 1 ATOM 2052 N ND2 . ASN A 1 270 ? -36.877 -24.117 -68.675 1.00 66.50 ? 272 ASN A ND2 1 ATOM 2053 N N . ALA A 1 271 ? -32.608 -26.586 -65.519 1.00 48.35 ? 273 ALA A N 1 ATOM 2054 C CA . ALA A 1 271 ? -31.195 -26.813 -65.255 1.00 43.69 ? 273 ALA A CA 1 ATOM 2055 C C . ALA A 1 271 ? -30.856 -28.288 -65.443 1.00 40.58 ? 273 ALA A C 1 ATOM 2056 O O . ALA A 1 271 ? -29.737 -28.639 -65.813 1.00 46.10 ? 273 ALA A O 1 ATOM 2057 C CB . ALA A 1 271 ? -30.836 -26.357 -63.855 1.00 43.73 ? 273 ALA A CB 1 ATOM 2058 N N . GLY A 1 272 ? -31.838 -29.149 -65.200 1.00 43.09 ? 274 GLY A N 1 ATOM 2059 C CA . GLY A 1 272 ? -31.623 -30.583 -65.231 1.00 47.30 ? 274 GLY A CA 1 ATOM 2060 C C . GLY A 1 272 ? -31.282 -31.091 -63.842 1.00 43.25 ? 274 GLY A C 1 ATOM 2061 O O . GLY A 1 272 ? -31.457 -30.376 -62.855 1.00 44.95 ? 274 GLY A O 1 ATOM 2062 N N . VAL A 1 273 ? -30.789 -32.320 -63.756 1.00 48.49 ? 275 VAL A N 1 ATOM 2063 C CA . VAL A 1 273 ? -30.427 -32.884 -62.464 1.00 43.05 ? 275 VAL A CA 1 ATOM 2064 C C . VAL A 1 273 ? -29.182 -32.190 -61.910 1.00 42.38 ? 275 VAL A C 1 ATOM 2065 O O . VAL A 1 273 ? -28.263 -31.832 -62.651 1.00 43.07 ? 275 VAL A O 1 ATOM 2066 C CB . VAL A 1 273 ? -30.195 -34.415 -62.553 1.00 43.70 ? 275 VAL A CB 1 ATOM 2067 C CG1 . VAL A 1 273 ? -28.862 -34.739 -63.211 1.00 49.58 ? 275 VAL A CG1 1 ATOM 2068 C CG2 . VAL A 1 273 ? -30.288 -35.052 -61.177 1.00 45.25 ? 275 VAL A CG2 1 ATOM 2069 N N . LYS A 1 274 ? -29.180 -31.966 -60.603 1.00 40.34 ? 276 LYS A N 1 ATOM 2070 C CA . LYS A 1 274 ? -28.021 -31.411 -59.919 1.00 36.90 ? 276 LYS A CA 1 ATOM 2071 C C . LYS A 1 274 ? -27.758 -32.204 -58.653 1.00 36.11 ? 276 LYS A C 1 ATOM 2072 O O . LYS A 1 274 ? -28.658 -32.845 -58.115 1.00 32.96 ? 276 LYS A O 1 ATOM 2073 C CB . LYS A 1 274 ? -28.225 -29.929 -59.575 1.00 35.18 ? 276 LYS A CB 1 ATOM 2074 C CG . LYS A 1 274 ? -28.227 -28.990 -60.765 1.00 38.51 ? 276 LYS A CG 1 ATOM 2075 C CD . LYS A 1 274 ? -26.921 -29.049 -61.538 1.00 33.78 ? 276 LYS A CD 1 ATOM 2076 C CE . LYS A 1 274 ? -26.971 -28.129 -62.748 1.00 43.16 ? 276 LYS A CE 1 ATOM 2077 N NZ . LYS A 1 274 ? -25.785 -28.313 -63.638 1.00 43.72 ? 276 LYS A NZ 1 ATOM 2078 N N . ILE A 1 275 ? -26.525 -32.153 -58.173 1.00 40.22 ? 277 ILE A N 1 ATOM 2079 C CA . ILE A 1 275 ? -26.198 -32.790 -56.911 1.00 38.80 ? 277 ILE A CA 1 ATOM 2080 C C . ILE A 1 275 ? -25.886 -31.714 -55.870 1.00 35.32 ? 277 ILE A C 1 ATOM 2081 O O . ILE A 1 275 ? -25.208 -30.729 -56.166 1.00 37.64 ? 277 ILE A O 1 ATOM 2082 C CB . ILE A 1 275 ? -25.018 -33.788 -57.080 1.00 40.94 ? 277 ILE A CB 1 ATOM 2083 C CG1 . ILE A 1 275 ? -24.748 -34.554 -55.784 1.00 43.80 ? 277 ILE A CG1 1 ATOM 2084 C CG2 . ILE A 1 275 ? -23.766 -33.084 -57.587 1.00 42.41 ? 277 ILE A CG2 1 ATOM 2085 C CD1 . ILE A 1 275 ? -23.707 -35.653 -55.934 1.00 42.63 ? 277 ILE A CD1 1 ATOM 2086 N N . GLU A 1 276 ? -26.437 -31.873 -54.670 1.00 33.43 ? 278 GLU A N 1 ATOM 2087 C CA . GLU A 1 276 ? -26.071 -31.023 -53.538 1.00 35.28 ? 278 GLU A CA 1 ATOM 2088 C C . GLU A 1 276 ? -25.282 -31.856 -52.538 1.00 28.06 ? 278 GLU A C 1 ATOM 2089 O O . GLU A 1 276 ? -25.513 -33.051 -52.401 1.00 27.04 ? 278 GLU A O 1 ATOM 2090 C CB . GLU A 1 276 ? -27.305 -30.398 -52.869 1.00 30.87 ? 278 GLU A CB 1 ATOM 2091 C CG . GLU A 1 276 ? -27.573 -28.959 -53.292 1.00 35.17 ? 278 GLU A CG 1 ATOM 2092 C CD . GLU A 1 276 ? -28.794 -28.339 -52.612 1.00 41.51 ? 278 GLU A CD 1 ATOM 2093 O OE1 . GLU A 1 276 ? -29.319 -28.918 -51.632 1.00 40.16 ? 278 GLU A OE1 1 ATOM 2094 O OE2 . GLU A 1 276 ? -29.233 -27.263 -53.071 1.00 38.12 ? 278 GLU A OE2 1 ATOM 2095 N N . CYS A 1 277 ? -24.343 -31.218 -51.852 1.00 31.43 ? 279 CYS A N 1 ATOM 2096 C CA . CYS A 1 277 ? -23.457 -31.933 -50.936 1.00 32.91 ? 279 CYS A CA 1 ATOM 2097 C C . CYS A 1 277 ? -23.174 -31.158 -49.653 1.00 30.52 ? 279 CYS A C 1 ATOM 2098 O O . CYS A 1 277 ? -22.044 -30.722 -49.429 1.00 26.53 ? 279 CYS A O 1 ATOM 2099 C CB . CYS A 1 277 ? -22.143 -32.268 -51.640 1.00 26.78 ? 279 CYS A CB 1 ATOM 2100 S SG . CYS A 1 277 ? -22.305 -33.569 -52.878 1.00 42.39 ? 279 CYS A SG 1 ATOM 2101 N N . PRO A 1 278 ? -24.204 -30.985 -48.806 1.00 26.99 ? 280 PRO A N 1 ATOM 2102 C CA . PRO A 1 278 ? -23.992 -30.363 -47.494 1.00 28.94 ? 280 PRO A CA 1 ATOM 2103 C C . PRO A 1 278 ? -23.129 -31.233 -46.584 1.00 29.17 ? 280 PRO A C 1 ATOM 2104 O O . PRO A 1 278 ? -23.252 -32.455 -46.610 1.00 27.60 ? 280 PRO A O 1 ATOM 2105 C CB . PRO A 1 278 ? -25.410 -30.228 -46.931 1.00 26.27 ? 280 PRO A CB 1 ATOM 2106 C CG . PRO A 1 278 ? -26.210 -31.255 -47.661 1.00 26.09 ? 280 PRO A CG 1 ATOM 2107 C CD . PRO A 1 278 ? -25.618 -31.331 -49.030 1.00 22.97 ? 280 PRO A CD 1 ATOM 2108 N N . SER A 1 279 ? -22.265 -30.601 -45.797 1.00 26.02 ? 281 SER A N 1 ATOM 2109 C CA . SER A 1 279 ? -21.430 -31.317 -44.847 1.00 23.06 ? 281 SER A CA 1 ATOM 2110 C C . SER A 1 279 ? -22.113 -31.394 -43.484 1.00 26.35 ? 281 SER A C 1 ATOM 2111 O O . SER A 1 279 ? -22.755 -30.439 -43.047 1.00 26.56 ? 281 SER A O 1 ATOM 2112 C CB . SER A 1 279 ? -20.057 -30.645 -44.718 1.00 20.62 ? 281 SER A CB 1 ATOM 2113 O OG . SER A 1 279 ? -19.415 -30.517 -45.976 1.00 19.94 ? 281 SER A OG 1 ATOM 2114 N N . LYS A 1 280 ? -21.990 -32.538 -42.820 1.00 32.16 ? 282 LYS A N 1 ATOM 2115 C CA . LYS A 1 280 ? -22.500 -32.672 -41.460 1.00 32.86 ? 282 LYS A CA 1 ATOM 2116 C C . LYS A 1 280 ? -21.424 -33.231 -40.540 1.00 30.96 ? 282 LYS A C 1 ATOM 2117 O O . LYS A 1 280 ? -20.550 -33.977 -40.983 1.00 28.55 ? 282 LYS A O 1 ATOM 2118 C CB . LYS A 1 280 ? -23.750 -33.559 -41.430 1.00 30.93 ? 282 LYS A CB 1 ATOM 2119 C CG . LYS A 1 280 ? -24.924 -32.971 -42.208 1.00 36.93 ? 282 LYS A CG 1 ATOM 2120 C CD . LYS A 1 280 ? -26.272 -33.435 -41.666 1.00 41.97 ? 282 LYS A CD 1 ATOM 2121 C CE . LYS A 1 280 ? -27.438 -32.817 -42.457 1.00 42.95 ? 282 LYS A CE 1 ATOM 2122 N NZ . LYS A 1 280 ? -28.786 -33.269 -41.971 1.00 35.60 ? 282 LYS A NZ 1 ATOM 2123 N N . ILE A 1 281 ? -21.478 -32.844 -39.267 1.00 24.94 ? 283 ILE A N 1 ATOM 2124 C CA . ILE A 1 281 ? -20.590 -33.395 -38.255 1.00 21.46 ? 283 ILE A CA 1 ATOM 2125 C C . ILE A 1 281 ? -21.288 -34.560 -37.560 1.00 23.92 ? 283 ILE A C 1 ATOM 2126 O O . ILE A 1 281 ? -22.342 -34.401 -36.943 1.00 25.57 ? 283 ILE A O 1 ATOM 2127 C CB . ILE A 1 281 ? -20.161 -32.335 -37.219 1.00 21.65 ? 283 ILE A CB 1 ATOM 2128 C CG1 . ILE A 1 281 ? -19.439 -31.182 -37.914 1.00 22.20 ? 283 ILE A CG1 1 ATOM 2129 C CG2 . ILE A 1 281 ? -19.262 -32.954 -36.146 1.00 17.31 ? 283 ILE A CG2 1 ATOM 2130 C CD1 . ILE A 1 281 ? -18.953 -30.093 -36.968 1.00 25.10 ? 283 ILE A CD1 1 ATOM 2131 N N . LEU A 1 282 ? -20.692 -35.737 -37.675 1.00 25.24 ? 284 LEU A N 1 ATOM 2132 C CA . LEU A 1 282 ? -21.310 -36.957 -37.190 1.00 21.99 ? 284 LEU A CA 1 ATOM 2133 C C . LEU A 1 282 ? -20.401 -37.701 -36.217 1.00 23.66 ? 284 LEU A C 1 ATOM 2134 O O . LEU A 1 282 ? -19.172 -37.614 -36.317 1.00 23.09 ? 284 LEU A O 1 ATOM 2135 C CB . LEU A 1 282 ? -21.678 -37.859 -38.369 1.00 19.43 ? 284 LEU A CB 1 ATOM 2136 C CG . LEU A 1 282 ? -22.801 -37.365 -39.288 1.00 25.73 ? 284 LEU A CG 1 ATOM 2137 C CD1 . LEU A 1 282 ? -23.135 -38.389 -40.384 1.00 25.19 ? 284 LEU A CD1 1 ATOM 2138 C CD2 . LEU A 1 282 ? -24.041 -37.015 -38.466 1.00 20.98 ? 284 LEU A CD2 1 ATOM 2139 N N . ASN A 1 283 ? -21.011 -38.407 -35.268 1.00 18.48 ? 285 ASN A N 1 ATOM 2140 C CA . ASN A 1 283 ? -20.276 -39.289 -34.369 1.00 21.59 ? 285 ASN A CA 1 ATOM 2141 C C . ASN A 1 283 ? -19.839 -40.555 -35.097 1.00 23.15 ? 285 ASN A C 1 ATOM 2142 O O . ASN A 1 283 ? -20.421 -40.913 -36.116 1.00 21.58 ? 285 ASN A O 1 ATOM 2143 C CB . ASN A 1 283 ? -21.126 -39.660 -33.150 1.00 20.92 ? 285 ASN A CB 1 ATOM 2144 C CG . ASN A 1 283 ? -21.311 -38.504 -32.192 1.00 21.90 ? 285 ASN A CG 1 ATOM 2145 O OD1 . ASN A 1 283 ? -20.460 -37.617 -32.092 1.00 20.57 ? 285 ASN A OD1 1 ATOM 2146 N ND2 . ASN A 1 283 ? -22.417 -38.516 -31.465 1.00 22.19 ? 285 ASN A ND2 1 ATOM 2147 N N . PRO A 1 284 ? -18.795 -41.227 -34.589 1.00 23.76 ? 286 PRO A N 1 ATOM 2148 C CA . PRO A 1 284 ? -18.423 -42.490 -35.229 1.00 20.10 ? 286 PRO A CA 1 ATOM 2149 C C . PRO A 1 284 ? -19.543 -43.508 -35.083 1.00 21.94 ? 286 PRO A C 1 ATOM 2150 O O . PRO A 1 284 ? -20.228 -43.505 -34.066 1.00 24.35 ? 286 PRO A O 1 ATOM 2151 C CB . PRO A 1 284 ? -17.175 -42.923 -34.457 1.00 17.93 ? 286 PRO A CB 1 ATOM 2152 C CG . PRO A 1 284 ? -16.615 -41.630 -33.900 1.00 19.86 ? 286 PRO A CG 1 ATOM 2153 C CD . PRO A 1 284 ? -17.831 -40.826 -33.549 1.00 22.31 ? 286 PRO A CD 1 ATOM 2154 N N . GLY A 1 285 ? -19.727 -44.360 -36.083 1.00 22.32 ? 287 GLY A N 1 ATOM 2155 C CA . GLY A 1 285 ? -20.763 -45.374 -36.037 1.00 21.20 ? 287 GLY A CA 1 ATOM 2156 C C . GLY A 1 285 ? -21.038 -45.905 -37.426 1.00 23.66 ? 287 GLY A C 1 ATOM 2157 O O . GLY A 1 285 ? -20.348 -45.542 -38.380 1.00 24.96 ? 287 GLY A O 1 ATOM 2158 N N . THR A 1 286 ? -22.028 -46.778 -37.540 1.00 18.00 ? 288 THR A N 1 ATOM 2159 C CA . THR A 1 286 ? -22.430 -47.298 -38.835 1.00 19.85 ? 288 THR A CA 1 ATOM 2160 C C . THR A 1 286 ? -23.759 -46.663 -39.195 1.00 22.49 ? 288 THR A C 1 ATOM 2161 O O . THR A 1 286 ? -24.698 -46.715 -38.413 1.00 20.33 ? 288 THR A O 1 ATOM 2162 C CB . THR A 1 286 ? -22.560 -48.843 -38.840 1.00 20.97 ? 288 THR A CB 1 ATOM 2163 O OG1 . THR A 1 286 ? -21.268 -49.435 -38.673 1.00 25.47 ? 288 THR A OG1 1 ATOM 2164 C CG2 . THR A 1 286 ? -23.153 -49.330 -40.148 1.00 20.08 ? 288 THR A CG2 1 ATOM 2165 N N . TYR A 1 287 ? -23.828 -46.064 -40.379 1.00 21.64 ? 289 TYR A N 1 ATOM 2166 C CA . TYR A 1 287 ? -25.017 -45.340 -40.807 1.00 26.14 ? 289 TYR A CA 1 ATOM 2167 C C . TYR A 1 287 ? -25.673 -46.056 -41.983 1.00 27.91 ? 289 TYR A C 1 ATOM 2168 O O . TYR A 1 287 ? -25.020 -46.829 -42.675 1.00 29.81 ? 289 TYR A O 1 ATOM 2169 C CB . TYR A 1 287 ? -24.645 -43.895 -41.169 1.00 23.84 ? 289 TYR A CB 1 ATOM 2170 C CG . TYR A 1 287 ? -24.168 -43.107 -39.965 1.00 20.49 ? 289 TYR A CG 1 ATOM 2171 C CD1 . TYR A 1 287 ? -22.864 -43.215 -39.515 1.00 22.92 ? 289 TYR A CD1 1 ATOM 2172 C CD2 . TYR A 1 287 ? -25.026 -42.271 -39.280 1.00 19.63 ? 289 TYR A CD2 1 ATOM 2173 C CE1 . TYR A 1 287 ? -22.430 -42.521 -38.414 1.00 21.69 ? 289 TYR A CE1 1 ATOM 2174 C CE2 . TYR A 1 287 ? -24.603 -41.566 -38.186 1.00 23.92 ? 289 TYR A CE2 1 ATOM 2175 C CZ . TYR A 1 287 ? -23.304 -41.691 -37.754 1.00 22.16 ? 289 TYR A CZ 1 ATOM 2176 O OH . TYR A 1 287 ? -22.888 -40.989 -36.653 1.00 18.99 ? 289 TYR A OH 1 ATOM 2177 N N . SER A 1 288 ? -26.958 -45.790 -42.206 1.00 24.66 ? 290 SER A N 1 ATOM 2178 C CA . SER A 1 288 ? -27.726 -46.477 -43.244 1.00 24.81 ? 290 SER A CA 1 ATOM 2179 C C . SER A 1 288 ? -28.284 -45.512 -44.277 1.00 23.16 ? 290 SER A C 1 ATOM 2180 O O . SER A 1 288 ? -28.517 -44.351 -43.979 1.00 21.31 ? 290 SER A O 1 ATOM 2181 C CB . SER A 1 288 ? -28.873 -47.272 -42.620 1.00 26.55 ? 290 SER A CB 1 ATOM 2182 O OG . SER A 1 288 ? -28.379 -48.325 -41.808 1.00 29.28 ? 290 SER A OG 1 ATOM 2183 N N . ILE A 1 289 ? -28.507 -46.010 -45.491 1.00 25.84 ? 291 ILE A N 1 ATOM 2184 C CA . ILE A 1 289 ? -29.046 -45.204 -46.582 1.00 25.57 ? 291 ILE A CA 1 ATOM 2185 C C . ILE A 1 289 ? -30.215 -45.913 -47.265 1.00 30.91 ? 291 ILE A C 1 ATOM 2186 O O . ILE A 1 289 ? -30.171 -47.122 -47.496 1.00 30.68 ? 291 ILE A O 1 ATOM 2187 C CB . ILE A 1 289 ? -27.967 -44.887 -47.649 1.00 24.30 ? 291 ILE A CB 1 ATOM 2188 C CG1 . ILE A 1 289 ? -26.805 -44.106 -47.038 1.00 25.44 ? 291 ILE A CG1 1 ATOM 2189 C CG2 . ILE A 1 289 ? -28.556 -44.095 -48.802 1.00 23.69 ? 291 ILE A CG2 1 ATOM 2190 C CD1 . ILE A 1 289 ? -25.708 -43.754 -48.038 1.00 19.54 ? 291 ILE A CD1 1 ATOM 2191 N N . LYS A 1 290 ? -31.263 -45.153 -47.570 1.00 30.22 ? 292 LYS A N 1 ATOM 2192 C CA . LYS A 1 290 ? -32.352 -45.615 -48.421 1.00 26.98 ? 292 LYS A CA 1 ATOM 2193 C C . LYS A 1 290 ? -32.550 -44.597 -49.534 1.00 30.86 ? 292 LYS A C 1 ATOM 2194 O O . LYS A 1 290 ? -32.649 -43.392 -49.273 1.00 26.15 ? 292 LYS A O 1 ATOM 2195 C CB . LYS A 1 290 ? -33.647 -45.796 -47.626 1.00 26.92 ? 292 LYS A CB 1 ATOM 2196 C CG . LYS A 1 290 ? -33.613 -46.924 -46.612 1.00 29.91 ? 292 LYS A CG 1 ATOM 2197 C CD . LYS A 1 290 ? -33.476 -48.279 -47.299 1.00 30.50 ? 292 LYS A CD 1 ATOM 2198 C CE . LYS A 1 290 ? -33.461 -49.418 -46.295 1.00 28.23 ? 292 LYS A CE 1 ATOM 2199 N NZ . LYS A 1 290 ? -32.240 -49.392 -45.446 1.00 32.88 ? 292 LYS A NZ 1 ATOM 2200 N N . SER A 1 291 ? -32.598 -45.079 -50.773 1.00 28.59 ? 293 SER A N 1 ATOM 2201 C CA . SER A 1 291 ? -32.750 -44.199 -51.920 1.00 28.25 ? 293 SER A CA 1 ATOM 2202 C C . SER A 1 291 ? -33.780 -44.715 -52.921 1.00 33.14 ? 293 SER A C 1 ATOM 2203 O O . SER A 1 291 ? -34.123 -45.900 -52.932 1.00 31.35 ? 293 SER A O 1 ATOM 2204 C CB . SER A 1 291 ? -31.409 -44.011 -52.630 1.00 25.90 ? 293 SER A CB 1 ATOM 2205 O OG . SER A 1 291 ? -31.082 -45.137 -53.429 1.00 29.71 ? 293 SER A OG 1 ATOM 2206 N N . THR A 1 292 ? -34.269 -43.805 -53.757 1.00 32.90 ? 294 THR A N 1 ATOM 2207 C CA . THR A 1 292 ? -35.065 -44.177 -54.912 1.00 37.61 ? 294 THR A CA 1 ATOM 2208 C C . THR A 1 292 ? -34.212 -45.150 -55.742 1.00 34.52 ? 294 THR A C 1 ATOM 2209 O O . THR A 1 292 ? -32.989 -45.021 -55.780 1.00 30.66 ? 294 THR A O 1 ATOM 2210 C CB . THR A 1 292 ? -35.503 -42.917 -55.724 1.00 35.14 ? 294 THR A CB 1 ATOM 2211 O OG1 . THR A 1 292 ? -36.598 -43.241 -56.588 1.00 37.11 ? 294 THR A OG1 1 ATOM 2212 C CG2 . THR A 1 292 ? -34.350 -42.341 -56.539 1.00 32.50 ? 294 THR A CG2 1 ATOM 2213 N N . PRO A 1 293 ? -34.851 -46.161 -56.358 1.00 36.26 ? 295 PRO A N 1 ATOM 2214 C CA . PRO A 1 293 ? -34.166 -47.263 -57.054 1.00 36.25 ? 295 PRO A CA 1 ATOM 2215 C C . PRO A 1 293 ? -33.084 -46.845 -58.041 1.00 36.47 ? 295 PRO A C 1 ATOM 2216 O O . PRO A 1 293 ? -32.018 -47.459 -58.063 1.00 37.43 ? 295 PRO A O 1 ATOM 2217 C CB . PRO A 1 293 ? -35.307 -47.960 -57.792 1.00 31.45 ? 295 PRO A CB 1 ATOM 2218 C CG . PRO A 1 293 ? -36.469 -47.769 -56.889 1.00 36.47 ? 295 PRO A CG 1 ATOM 2219 C CD . PRO A 1 293 ? -36.304 -46.394 -56.279 1.00 33.25 ? 295 PRO A CD 1 ATOM 2220 N N . ARG A 1 294 ? -33.351 -45.815 -58.836 1.00 54.38 ? 296 ARG A N 1 ATOM 2221 C CA . ARG A 1 294 ? -32.453 -45.445 -59.928 1.00 55.23 ? 296 ARG A CA 1 ATOM 2222 C C . ARG A 1 294 ? -31.089 -44.925 -59.465 1.00 57.22 ? 296 ARG A C 1 ATOM 2223 O O . ARG A 1 294 ? -30.058 -45.313 -60.020 1.00 56.54 ? 296 ARG A O 1 ATOM 2224 C CB . ARG A 1 294 ? -33.113 -44.393 -60.824 1.00 58.69 ? 296 ARG A CB 1 ATOM 2225 C CG . ARG A 1 294 ? -32.327 -44.091 -62.102 1.00 61.44 ? 296 ARG A CG 1 ATOM 2226 C CD . ARG A 1 294 ? -32.673 -45.061 -63.237 1.00 62.88 ? 296 ARG A CD 1 ATOM 2227 N NE . ARG A 1 294 ? -32.659 -44.402 -64.546 1.00 70.67 ? 296 ARG A NE 1 ATOM 2228 C CZ . ARG A 1 294 ? -31.564 -43.958 -65.162 1.00 70.05 ? 296 ARG A CZ 1 ATOM 2229 N NH1 . ARG A 1 294 ? -30.366 -44.133 -64.613 1.00 66.16 ? 296 ARG A NH1 1 ATOM 2230 N NH2 . ARG A 1 294 ? -31.663 -43.360 -66.344 1.00 65.48 ? 296 ARG A NH2 1 ATOM 2231 N N . PHE A 1 295 ? -31.077 -44.048 -58.462 1.00 42.71 ? 297 PHE A N 1 ATOM 2232 C CA . PHE A 1 295 ? -29.836 -43.372 -58.071 1.00 40.11 ? 297 PHE A CA 1 ATOM 2233 C C . PHE A 1 295 ? -29.531 -43.438 -56.578 1.00 40.74 ? 297 PHE A C 1 ATOM 2234 O O . PHE A 1 295 ? -30.333 -43.003 -55.744 1.00 36.09 ? 297 PHE A O 1 ATOM 2235 C CB . PHE A 1 295 ? -29.881 -41.908 -58.508 1.00 38.78 ? 297 PHE A CB 1 ATOM 2236 C CG . PHE A 1 295 ? -29.879 -41.719 -59.998 1.00 42.02 ? 297 PHE A CG 1 ATOM 2237 C CD1 . PHE A 1 295 ? -29.077 -42.506 -60.811 1.00 42.52 ? 297 PHE A CD1 1 ATOM 2238 C CD2 . PHE A 1 295 ? -30.687 -40.759 -60.587 1.00 41.93 ? 297 PHE A CD2 1 ATOM 2239 C CE1 . PHE A 1 295 ? -29.075 -42.331 -62.184 1.00 43.57 ? 297 PHE A CE1 1 ATOM 2240 C CE2 . PHE A 1 295 ? -30.693 -40.580 -61.957 1.00 48.31 ? 297 PHE A CE2 1 ATOM 2241 C CZ . PHE A 1 295 ? -29.887 -41.367 -62.758 1.00 43.97 ? 297 PHE A CZ 1 ATOM 2242 N N . LEU A 1 296 ? -28.349 -43.964 -56.260 1.00 31.21 ? 298 LEU A N 1 ATOM 2243 C CA . LEU A 1 296 ? -27.867 -44.037 -54.885 1.00 30.81 ? 298 LEU A CA 1 ATOM 2244 C C . LEU A 1 296 ? -26.515 -43.343 -54.730 1.00 28.53 ? 298 LEU A C 1 ATOM 2245 O O . LEU A 1 296 ? -25.606 -43.557 -55.528 1.00 30.54 ? 298 LEU A O 1 ATOM 2246 C CB . LEU A 1 296 ? -27.754 -45.494 -54.437 1.00 30.57 ? 298 LEU A CB 1 ATOM 2247 C CG . LEU A 1 296 ? -26.940 -45.764 -53.170 1.00 26.70 ? 298 LEU A CG 1 ATOM 2248 C CD1 . LEU A 1 296 ? -27.662 -45.207 -51.962 1.00 24.36 ? 298 LEU A CD1 1 ATOM 2249 C CD2 . LEU A 1 296 ? -26.662 -47.245 -52.986 1.00 24.54 ? 298 LEU A CD2 1 ATOM 2250 N N . LEU A 1 297 ? -26.386 -42.515 -53.699 1.00 26.21 ? 299 LEU A N 1 ATOM 2251 C CA . LEU A 1 297 ? -25.122 -41.837 -53.408 1.00 25.58 ? 299 LEU A CA 1 ATOM 2252 C C . LEU A 1 297 ? -24.608 -42.261 -52.041 1.00 23.21 ? 299 LEU A C 1 ATOM 2253 O O . LEU A 1 297 ? -25.373 -42.314 -51.079 1.00 18.82 ? 299 LEU A O 1 ATOM 2254 C CB . LEU A 1 297 ? -25.290 -40.316 -53.460 1.00 24.73 ? 299 LEU A CB 1 ATOM 2255 C CG . LEU A 1 297 ? -25.577 -39.688 -54.826 1.00 28.39 ? 299 LEU A CG 1 ATOM 2256 C CD1 . LEU A 1 297 ? -26.031 -38.236 -54.651 1.00 26.71 ? 299 LEU A CD1 1 ATOM 2257 C CD2 . LEU A 1 297 ? -24.352 -39.776 -55.729 1.00 21.69 ? 299 LEU A CD2 1 ATOM 2258 N N . VAL A 1 298 ? -23.318 -42.576 -51.952 1.00 22.79 ? 300 VAL A N 1 ATOM 2259 C CA . VAL A 1 298 ? -22.759 -43.116 -50.713 1.00 20.35 ? 300 VAL A CA 1 ATOM 2260 C C . VAL A 1 298 ? -21.446 -42.421 -50.374 1.00 23.88 ? 300 VAL A C 1 ATOM 2261 O O . VAL A 1 298 ? -20.529 -42.370 -51.200 1.00 21.45 ? 300 VAL A O 1 ATOM 2262 C CB . VAL A 1 298 ? -22.528 -44.657 -50.806 1.00 27.72 ? 300 VAL A CB 1 ATOM 2263 C CG1 . VAL A 1 298 ? -21.977 -45.217 -49.491 1.00 22.18 ? 300 VAL A CG1 1 ATOM 2264 C CG2 . VAL A 1 298 ? -23.814 -45.383 -51.198 1.00 21.71 ? 300 VAL A CG2 1 ATOM 2265 N N . PRO A 1 299 ? -21.363 -41.858 -49.159 1.00 23.73 ? 301 PRO A N 1 ATOM 2266 C CA . PRO A 1 299 ? -20.161 -41.162 -48.693 1.00 24.73 ? 301 PRO A CA 1 ATOM 2267 C C . PRO A 1 299 ? -18.981 -42.120 -48.575 1.00 26.01 ? 301 PRO A C 1 ATOM 2268 O O . PRO A 1 299 ? -19.131 -43.217 -48.031 1.00 23.88 ? 301 PRO A O 1 ATOM 2269 C CB . PRO A 1 299 ? -20.579 -40.615 -47.319 1.00 21.48 ? 301 PRO A CB 1 ATOM 2270 C CG . PRO A 1 299 ? -22.076 -40.560 -47.385 1.00 21.74 ? 301 PRO A CG 1 ATOM 2271 C CD . PRO A 1 299 ? -22.457 -41.766 -48.179 1.00 22.32 ? 301 PRO A CD 1 ATOM 2272 N N . LYS A 1 300 ? -17.821 -41.707 -49.075 1.00 20.95 ? 302 LYS A N 1 ATOM 2273 C CA . LYS A 1 300 ? -16.684 -42.602 -49.132 1.00 25.24 ? 302 LYS A CA 1 ATOM 2274 C C . LYS A 1 300 ? -15.482 -42.026 -48.387 1.00 24.78 ? 302 LYS A C 1 ATOM 2275 O O . LYS A 1 300 ? -14.491 -42.723 -48.164 1.00 22.65 ? 302 LYS A O 1 ATOM 2276 C CB . LYS A 1 300 ? -16.332 -42.901 -50.593 1.00 26.98 ? 302 LYS A CB 1 ATOM 2277 C CG . LYS A 1 300 ? -15.434 -44.098 -50.799 1.00 22.53 ? 302 LYS A CG 1 ATOM 2278 C CD . LYS A 1 300 ? -15.946 -45.301 -50.042 1.00 23.43 ? 302 LYS A CD 1 ATOM 2279 C CE . LYS A 1 300 ? -15.022 -46.500 -50.239 1.00 23.98 ? 302 LYS A CE 1 ATOM 2280 N NZ . LYS A 1 300 ? -15.612 -47.751 -49.679 1.00 23.29 ? 302 LYS A NZ 1 ATOM 2281 N N . ARG A 1 301 ? -15.578 -40.756 -47.995 1.00 20.92 ? 303 ARG A N 1 ATOM 2282 C CA . ARG A 1 301 ? -14.510 -40.105 -47.239 1.00 20.06 ? 303 ARG A CA 1 ATOM 2283 C C . ARG A 1 301 ? -15.061 -39.274 -46.089 1.00 19.65 ? 303 ARG A C 1 ATOM 2284 O O . ARG A 1 301 ? -16.253 -38.967 -46.044 1.00 20.01 ? 303 ARG A O 1 ATOM 2285 C CB . ARG A 1 301 ? -13.651 -39.224 -48.161 1.00 17.79 ? 303 ARG A CB 1 ATOM 2286 C CG . ARG A 1 301 ? -12.809 -40.036 -49.145 1.00 23.72 ? 303 ARG A CG 1 ATOM 2287 C CD . ARG A 1 301 ? -11.829 -39.190 -49.952 1.00 26.11 ? 303 ARG A CD 1 ATOM 2288 N NE . ARG A 1 301 ? -10.917 -40.039 -50.727 1.00 30.64 ? 303 ARG A NE 1 ATOM 2289 C CZ . ARG A 1 301 ? -9.944 -39.589 -51.515 1.00 27.84 ? 303 ARG A CZ 1 ATOM 2290 N NH1 . ARG A 1 301 ? -9.736 -38.290 -51.654 1.00 26.91 ? 303 ARG A NH1 1 ATOM 2291 N NH2 . ARG A 1 301 ? -9.179 -40.442 -52.174 1.00 33.76 ? 303 ARG A NH2 1 ATOM 2292 N N . SER A 1 302 ? -14.185 -38.924 -45.154 1.00 19.10 ? 304 SER A N 1 ATOM 2293 C CA . SER A 1 302 ? -14.519 -37.959 -44.115 1.00 20.28 ? 304 SER A CA 1 ATOM 2294 C C . SER A 1 302 ? -13.273 -37.219 -43.663 1.00 19.38 ? 304 SER A C 1 ATOM 2295 O O . SER A 1 302 ? -12.176 -37.479 -44.158 1.00 19.84 ? 304 SER A O 1 ATOM 2296 C CB . SER A 1 302 ? -15.189 -38.644 -42.917 1.00 19.95 ? 304 SER A CB 1 ATOM 2297 O OG . SER A 1 302 ? -14.245 -39.300 -42.088 1.00 20.74 ? 304 SER A OG 1 ATOM 2298 N N . TYR A 1 303 ? -13.456 -36.282 -42.738 1.00 18.85 ? 305 TYR A N 1 ATOM 2299 C CA . TYR A 1 303 ? -12.344 -35.715 -41.983 1.00 16.70 ? 305 TYR A CA 1 ATOM 2300 C C . TYR A 1 303 ? -12.527 -36.066 -40.515 1.00 20.56 ? 305 TYR A C 1 ATOM 2301 O O . TYR A 1 303 ? -13.586 -35.830 -39.931 1.00 18.31 ? 305 TYR A O 1 ATOM 2302 C CB . TYR A 1 303 ? -12.245 -34.200 -42.170 1.00 16.35 ? 305 TYR A CB 1 ATOM 2303 C CG . TYR A 1 303 ? -11.475 -33.813 -43.403 1.00 21.03 ? 305 TYR A CG 1 ATOM 2304 C CD1 . TYR A 1 303 ? -12.116 -33.659 -44.628 1.00 16.32 ? 305 TYR A CD1 1 ATOM 2305 C CD2 . TYR A 1 303 ? -10.093 -33.636 -43.354 1.00 17.01 ? 305 TYR A CD2 1 ATOM 2306 C CE1 . TYR A 1 303 ? -11.409 -33.313 -45.758 1.00 14.26 ? 305 TYR A CE1 1 ATOM 2307 C CE2 . TYR A 1 303 ? -9.379 -33.296 -44.486 1.00 14.12 ? 305 TYR A CE2 1 ATOM 2308 C CZ . TYR A 1 303 ? -10.044 -33.132 -45.682 1.00 17.08 ? 305 TYR A CZ 1 ATOM 2309 O OH . TYR A 1 303 ? -9.346 -32.794 -46.818 1.00 15.99 ? 305 TYR A OH 1 ATOM 2310 N N . CYS A 1 304 ? -11.488 -36.643 -39.928 1.00 19.45 ? 306 CYS A N 1 ATOM 2311 C CA . CYS A 1 304 ? -11.549 -37.140 -38.563 1.00 18.37 ? 306 CYS A CA 1 ATOM 2312 C C . CYS A 1 304 ? -11.012 -36.089 -37.603 1.00 20.78 ? 306 CYS A C 1 ATOM 2313 O O . CYS A 1 304 ? -9.941 -35.524 -37.827 1.00 20.99 ? 306 CYS A O 1 ATOM 2314 C CB . CYS A 1 304 ? -10.765 -38.454 -38.460 1.00 18.33 ? 306 CYS A CB 1 ATOM 2315 S SG . CYS A 1 304 ? -10.323 -39.029 -36.820 1.00 23.60 ? 306 CYS A SG 1 ATOM 2316 N N . PHE A 1 305 ? -11.786 -35.814 -36.555 1.00 16.18 ? 307 PHE A N 1 ATOM 2317 C CA . PHE A 1 305 ? -11.407 -34.882 -35.505 1.00 11.93 ? 307 PHE A CA 1 ATOM 2318 C C . PHE A 1 305 ? -11.547 -35.510 -34.131 1.00 14.24 ? 307 PHE A C 1 ATOM 2319 O O . PHE A 1 305 ? -12.379 -36.390 -33.917 1.00 14.99 ? 307 PHE A O 1 ATOM 2320 C CB . PHE A 1 305 ? -12.274 -33.626 -35.547 1.00 15.75 ? 307 PHE A CB 1 ATOM 2321 C CG . PHE A 1 305 ? -12.115 -32.819 -36.783 1.00 14.03 ? 307 PHE A CG 1 ATOM 2322 C CD1 . PHE A 1 305 ? -12.864 -33.107 -37.914 1.00 13.74 ? 307 PHE A CD1 1 ATOM 2323 C CD2 . PHE A 1 305 ? -11.224 -31.760 -36.816 1.00 12.29 ? 307 PHE A CD2 1 ATOM 2324 C CE1 . PHE A 1 305 ? -12.722 -32.357 -39.065 1.00 13.07 ? 307 PHE A CE1 1 ATOM 2325 C CE2 . PHE A 1 305 ? -11.084 -30.995 -37.966 1.00 15.66 ? 307 PHE A CE2 1 ATOM 2326 C CZ . PHE A 1 305 ? -11.832 -31.301 -39.096 1.00 11.97 ? 307 PHE A CZ 1 ATOM 2327 N N . ASP A 1 306 ? -10.757 -35.029 -33.183 1.00 17.90 ? 308 ASP A N 1 ATOM 2328 C CA . ASP A 1 306 ? -10.959 -35.407 -31.799 1.00 19.20 ? 308 ASP A CA 1 ATOM 2329 C C . ASP A 1 306 ? -11.696 -34.286 -31.060 1.00 22.83 ? 308 ASP A C 1 ATOM 2330 O O . ASP A 1 306 ? -12.013 -33.246 -31.649 1.00 22.21 ? 308 ASP A O 1 ATOM 2331 C CB . ASP A 1 306 ? -9.627 -35.708 -31.130 1.00 20.29 ? 308 ASP A CB 1 ATOM 2332 C CG . ASP A 1 306 ? -8.709 -34.524 -31.135 1.00 23.29 ? 308 ASP A CG 1 ATOM 2333 O OD1 . ASP A 1 306 ? -8.926 -33.610 -30.301 1.00 21.67 ? 308 ASP A OD1 1 ATOM 2334 O OD2 . ASP A 1 306 ? -7.774 -34.508 -31.973 1.00 22.58 ? 308 ASP A OD2 1 ATOM 2335 N N . THR A 1 307 ? -11.963 -34.494 -29.775 1.00 17.75 ? 309 THR A N 1 ATOM 2336 C CA . THR A 1 307 ? -12.588 -33.462 -28.953 1.00 19.32 ? 309 THR A CA 1 ATOM 2337 C C . THR A 1 307 ? -11.729 -33.151 -27.728 1.00 21.25 ? 309 THR A C 1 ATOM 2338 O O . THR A 1 307 ? -12.247 -32.879 -26.644 1.00 19.79 ? 309 THR A O 1 ATOM 2339 C CB . THR A 1 307 ? -14.006 -33.869 -28.501 1.00 16.69 ? 309 THR A CB 1 ATOM 2340 O OG1 . THR A 1 307 ? -14.010 -35.247 -28.106 1.00 22.69 ? 309 THR A OG1 1 ATOM 2341 C CG2 . THR A 1 307 ? -15.006 -33.678 -29.623 1.00 12.78 ? 309 THR A CG2 1 ATOM 2342 N N . ASP A 1 308 ? -10.413 -33.176 -27.923 1.00 21.06 ? 310 ASP A N 1 ATOM 2343 C CA . ASP A 1 308 ? -9.458 -32.930 -26.848 1.00 20.33 ? 310 ASP A CA 1 ATOM 2344 C C . ASP A 1 308 ? -9.165 -31.440 -26.682 1.00 24.29 ? 310 ASP A C 1 ATOM 2345 O O . ASP A 1 308 ? -8.363 -31.032 -25.838 1.00 23.05 ? 310 ASP A O 1 ATOM 2346 C CB . ASP A 1 308 ? -8.148 -33.692 -27.109 1.00 19.79 ? 310 ASP A CB 1 ATOM 2347 C CG . ASP A 1 308 ? -8.333 -35.209 -27.114 1.00 25.57 ? 310 ASP A CG 1 ATOM 2348 O OD1 . ASP A 1 308 ? -9.301 -35.718 -26.504 1.00 24.79 ? 310 ASP A OD1 1 ATOM 2349 O OD2 . ASP A 1 308 ? -7.486 -35.900 -27.716 1.00 34.81 ? 310 ASP A OD2 1 ATOM 2350 N N . GLY A 1 309 ? -9.804 -30.622 -27.503 1.00 23.50 ? 311 GLY A N 1 ATOM 2351 C CA . GLY A 1 309 ? -9.655 -29.189 -27.374 1.00 20.54 ? 311 GLY A CA 1 ATOM 2352 C C . GLY A 1 309 ? -8.639 -28.598 -28.326 1.00 21.00 ? 311 GLY A C 1 ATOM 2353 O O . GLY A 1 309 ? -7.695 -29.259 -28.753 1.00 18.12 ? 311 GLY A O 1 ATOM 2354 N N . GLY A 1 310 ? -8.859 -27.334 -28.658 1.00 17.17 ? 312 GLY A N 1 ATOM 2355 C CA . GLY A 1 310 ? -7.945 -26.560 -29.460 1.00 19.87 ? 312 GLY A CA 1 ATOM 2356 C C . GLY A 1 310 ? -8.140 -25.089 -29.151 1.00 19.93 ? 312 GLY A C 1 ATOM 2357 O O . GLY A 1 310 ? -8.963 -24.717 -28.315 1.00 17.93 ? 312 GLY A O 1 ATOM 2358 N N . TYR A 1 311 ? -7.358 -24.249 -29.812 1.00 19.70 ? 313 TYR A N 1 ATOM 2359 C CA . TYR A 1 311 ? -7.526 -22.811 -29.724 1.00 16.55 ? 313 TYR A CA 1 ATOM 2360 C C . TYR A 1 311 ? -8.368 -22.346 -30.907 1.00 17.96 ? 313 TYR A C 1 ATOM 2361 O O . TYR A 1 311 ? -8.561 -23.099 -31.863 1.00 20.60 ? 313 TYR A O 1 ATOM 2362 C CB . TYR A 1 311 ? -6.165 -22.114 -29.735 1.00 18.87 ? 313 TYR A CB 1 ATOM 2363 C CG . TYR A 1 311 ? -5.496 -21.933 -28.390 1.00 20.26 ? 313 TYR A CG 1 ATOM 2364 C CD1 . TYR A 1 311 ? -6.213 -21.488 -27.279 1.00 17.17 ? 313 TYR A CD1 1 ATOM 2365 C CD2 . TYR A 1 311 ? -4.133 -22.174 -28.239 1.00 21.11 ? 313 TYR A CD2 1 ATOM 2366 C CE1 . TYR A 1 311 ? -5.590 -21.301 -26.053 1.00 18.75 ? 313 TYR A CE1 1 ATOM 2367 C CE2 . TYR A 1 311 ? -3.501 -21.989 -27.016 1.00 21.76 ? 313 TYR A CE2 1 ATOM 2368 C CZ . TYR A 1 311 ? -4.233 -21.555 -25.925 1.00 21.48 ? 313 TYR A CZ 1 ATOM 2369 O OH . TYR A 1 311 ? -3.602 -21.379 -24.706 1.00 22.38 ? 313 TYR A OH 1 ATOM 2370 N N . PRO A 1 312 ? -8.886 -21.111 -30.852 1.00 22.43 ? 314 PRO A N 1 ATOM 2371 C CA . PRO A 1 312 ? -9.458 -20.563 -32.086 1.00 23.10 ? 314 PRO A CA 1 ATOM 2372 C C . PRO A 1 312 ? -8.483 -20.671 -33.265 1.00 21.02 ? 314 PRO A C 1 ATOM 2373 O O . PRO A 1 312 ? -7.269 -20.537 -33.083 1.00 21.55 ? 314 PRO A O 1 ATOM 2374 C CB . PRO A 1 312 ? -9.736 -19.110 -31.718 1.00 19.10 ? 314 PRO A CB 1 ATOM 2375 C CG . PRO A 1 312 ? -10.050 -19.183 -30.253 1.00 22.81 ? 314 PRO A CG 1 ATOM 2376 C CD . PRO A 1 312 ? -9.111 -20.222 -29.698 1.00 19.16 ? 314 PRO A CD 1 ATOM 2377 N N . ILE A 1 313 ? -9.004 -20.954 -34.452 1.00 17.83 ? 315 ILE A N 1 ATOM 2378 C CA . ILE A 1 313 ? -8.140 -21.221 -35.601 1.00 20.64 ? 315 ILE A CA 1 ATOM 2379 C C . ILE A 1 313 ? -7.878 -19.961 -36.415 1.00 18.28 ? 315 ILE A C 1 ATOM 2380 O O . ILE A 1 313 ? -8.557 -18.955 -36.254 1.00 17.08 ? 315 ILE A O 1 ATOM 2381 C CB . ILE A 1 313 ? -8.740 -22.303 -36.541 1.00 19.26 ? 315 ILE A CB 1 ATOM 2382 C CG1 . ILE A 1 313 ? -9.998 -21.780 -37.239 1.00 17.35 ? 315 ILE A CG1 1 ATOM 2383 C CG2 . ILE A 1 313 ? -9.033 -23.587 -35.779 1.00 15.60 ? 315 ILE A CG2 1 ATOM 2384 C CD1 . ILE A 1 313 ? -10.749 -22.837 -38.028 1.00 17.55 ? 315 ILE A CD1 1 ATOM 2385 N N . GLN A 1 314 ? -6.871 -20.028 -37.278 1.00 17.58 ? 316 GLN A N 1 ATOM 2386 C CA . GLN A 1 314 ? -6.584 -18.955 -38.212 1.00 16.89 ? 316 GLN A CA 1 ATOM 2387 C C . GLN A 1 314 ? -6.794 -19.445 -39.643 1.00 19.92 ? 316 GLN A C 1 ATOM 2388 O O . GLN A 1 314 ? -6.208 -20.446 -40.064 1.00 24.06 ? 316 GLN A O 1 ATOM 2389 C CB . GLN A 1 314 ? -5.157 -18.436 -38.015 1.00 18.41 ? 316 GLN A CB 1 ATOM 2390 C CG . GLN A 1 314 ? -4.976 -17.582 -36.776 1.00 17.23 ? 316 GLN A CG 1 ATOM 2391 C CD . GLN A 1 314 ? -3.519 -17.397 -36.394 1.00 18.48 ? 316 GLN A CD 1 ATOM 2392 O OE1 . GLN A 1 314 ? -2.916 -16.371 -36.695 1.00 22.36 ? 316 GLN A OE1 1 ATOM 2393 N NE2 . GLN A 1 314 ? -2.946 -18.395 -35.722 1.00 17.34 ? 316 GLN A NE2 1 ATOM 2394 N N . VAL A 1 315 ? -7.658 -18.753 -40.376 1.00 20.35 ? 317 VAL A N 1 ATOM 2395 C CA . VAL A 1 315 ? -7.884 -19.049 -41.785 1.00 20.14 ? 317 VAL A CA 1 ATOM 2396 C C . VAL A 1 315 ? -7.353 -17.907 -42.644 1.00 20.16 ? 317 VAL A C 1 ATOM 2397 O O . VAL A 1 315 ? -7.664 -16.737 -42.417 1.00 18.99 ? 317 VAL A O 1 ATOM 2398 C CB . VAL A 1 315 ? -9.373 -19.285 -42.100 1.00 18.70 ? 317 VAL A CB 1 ATOM 2399 C CG1 . VAL A 1 315 ? -9.591 -19.376 -43.608 1.00 17.01 ? 317 VAL A CG1 1 ATOM 2400 C CG2 . VAL A 1 315 ? -9.852 -20.552 -41.420 1.00 18.07 ? 317 VAL A CG2 1 ATOM 2401 N N . VAL A 1 316 ? -6.532 -18.266 -43.623 1.00 20.90 ? 318 VAL A N 1 ATOM 2402 C CA . VAL A 1 316 ? -5.886 -17.298 -44.491 1.00 18.43 ? 318 VAL A CA 1 ATOM 2403 C C . VAL A 1 316 ? -6.608 -17.252 -45.835 1.00 18.67 ? 318 VAL A C 1 ATOM 2404 O O . VAL A 1 316 ? -6.906 -18.291 -46.417 1.00 17.40 ? 318 VAL A O 1 ATOM 2405 C CB . VAL A 1 316 ? -4.398 -17.648 -44.690 1.00 20.69 ? 318 VAL A CB 1 ATOM 2406 C CG1 . VAL A 1 316 ? -3.681 -16.557 -45.482 1.00 18.54 ? 318 VAL A CG1 1 ATOM 2407 C CG2 . VAL A 1 316 ? -3.730 -17.856 -43.330 1.00 17.94 ? 318 VAL A CG2 1 ATOM 2408 N N . GLN A 1 317 ? -6.917 -16.041 -46.292 1.00 18.59 ? 319 GLN A N 1 ATOM 2409 C CA . GLN A 1 317 ? -7.577 -15.823 -47.572 1.00 19.68 ? 319 GLN A CA 1 ATOM 2410 C C . GLN A 1 317 ? -6.857 -16.591 -48.675 1.00 20.53 ? 319 GLN A C 1 ATOM 2411 O O . GLN A 1 317 ? -5.647 -16.472 -48.838 1.00 19.50 ? 319 GLN A O 1 ATOM 2412 C CB . GLN A 1 317 ? -7.621 -14.325 -47.894 1.00 21.88 ? 319 GLN A CB 1 ATOM 2413 C CG . GLN A 1 317 ? -8.340 -13.961 -49.182 1.00 20.09 ? 319 GLN A CG 1 ATOM 2414 C CD . GLN A 1 317 ? -8.152 -12.499 -49.554 1.00 22.70 ? 319 GLN A CD 1 ATOM 2415 O OE1 . GLN A 1 317 ? -7.083 -11.930 -49.344 1.00 20.38 ? 319 GLN A OE1 1 ATOM 2416 N NE2 . GLN A 1 317 ? -9.196 -11.884 -50.110 1.00 23.51 ? 319 GLN A NE2 1 ATOM 2417 N N . SER A 1 318 ? -7.605 -17.399 -49.414 1.00 16.31 ? 320 SER A N 1 ATOM 2418 C CA . SER A 1 318 ? -7.013 -18.245 -50.431 1.00 17.18 ? 320 SER A CA 1 ATOM 2419 C C . SER A 1 318 ? -7.662 -17.949 -51.769 1.00 17.82 ? 320 SER A C 1 ATOM 2420 O O . SER A 1 318 ? -8.692 -18.532 -52.114 1.00 17.91 ? 320 SER A O 1 ATOM 2421 C CB . SER A 1 318 ? -7.171 -19.727 -50.060 1.00 19.62 ? 320 SER A CB 1 ATOM 2422 O OG . SER A 1 318 ? -6.453 -20.571 -50.948 1.00 18.43 ? 320 SER A OG 1 ATOM 2423 N N . GLU A 1 319 ? -7.065 -17.015 -52.503 1.00 20.71 ? 321 GLU A N 1 ATOM 2424 C CA . GLU A 1 319 ? -7.573 -16.610 -53.806 1.00 23.99 ? 321 GLU A CA 1 ATOM 2425 C C . GLU A 1 319 ? -6.439 -16.516 -54.823 1.00 24.63 ? 321 GLU A C 1 ATOM 2426 O O . GLU A 1 319 ? -5.268 -16.429 -54.458 1.00 23.62 ? 321 GLU A O 1 ATOM 2427 C CB . GLU A 1 319 ? -8.295 -15.259 -53.718 1.00 27.25 ? 321 GLU A CB 1 ATOM 2428 C CG . GLU A 1 319 ? -9.549 -15.243 -52.864 1.00 26.06 ? 321 GLU A CG 1 ATOM 2429 C CD . GLU A 1 319 ? -10.181 -13.860 -52.800 1.00 32.99 ? 321 GLU A CD 1 ATOM 2430 O OE1 . GLU A 1 319 ? -9.713 -12.959 -53.529 1.00 38.04 ? 321 GLU A OE1 1 ATOM 2431 O OE2 . GLU A 1 319 ? -11.136 -13.664 -52.014 1.00 34.71 ? 321 GLU A OE2 1 ATOM 2432 N N . TRP A 1 320 ? -6.808 -16.526 -56.101 1.00 23.44 ? 322 TRP A N 1 ATOM 2433 C CA . TRP A 1 320 ? -5.864 -16.339 -57.199 1.00 21.50 ? 322 TRP A CA 1 ATOM 2434 C C . TRP A 1 320 ? -5.500 -14.868 -57.411 1.00 22.32 ? 322 TRP A C 1 ATOM 2435 O O . TRP A 1 320 ? -6.105 -13.971 -56.824 1.00 21.39 ? 322 TRP A O 1 ATOM 2436 C CB . TRP A 1 320 ? -6.450 -16.891 -58.499 1.00 22.50 ? 322 TRP A CB 1 ATOM 2437 C CG . TRP A 1 320 ? -6.630 -18.391 -58.569 1.00 21.26 ? 322 TRP A CG 1 ATOM 2438 C CD1 . TRP A 1 320 ? -7.781 -19.062 -58.865 1.00 20.62 ? 322 TRP A CD1 1 ATOM 2439 C CD2 . TRP A 1 320 ? -5.624 -19.390 -58.380 1.00 20.26 ? 322 TRP A CD2 1 ATOM 2440 N NE1 . TRP A 1 320 ? -7.559 -20.419 -58.865 1.00 20.79 ? 322 TRP A NE1 1 ATOM 2441 C CE2 . TRP A 1 320 ? -6.241 -20.648 -58.571 1.00 22.53 ? 322 TRP A CE2 1 ATOM 2442 C CE3 . TRP A 1 320 ? -4.260 -19.349 -58.063 1.00 23.89 ? 322 TRP A CE3 1 ATOM 2443 C CZ2 . TRP A 1 320 ? -5.548 -21.849 -58.448 1.00 19.74 ? 322 TRP A CZ2 1 ATOM 2444 C CZ3 . TRP A 1 320 ? -3.567 -20.546 -57.949 1.00 23.22 ? 322 TRP A CZ3 1 ATOM 2445 C CH2 . TRP A 1 320 ? -4.213 -21.777 -58.138 1.00 23.46 ? 322 TRP A CH2 1 ATOM 2446 N N . SER A 1 321 ? -4.520 -14.627 -58.275 1.00 23.20 ? 323 SER A N 1 ATOM 2447 C CA . SER A 1 321 ? -4.272 -13.285 -58.797 1.00 24.16 ? 323 SER A CA 1 ATOM 2448 C C . SER A 1 321 ? -5.493 -12.849 -59.595 1.00 22.66 ? 323 SER A C 1 ATOM 2449 O O . SER A 1 321 ? -6.357 -13.671 -59.898 1.00 22.62 ? 323 SER A O 1 ATOM 2450 C CB . SER A 1 321 ? -3.024 -13.252 -59.683 1.00 28.07 ? 323 SER A CB 1 ATOM 2451 O OG . SER A 1 321 ? -3.246 -13.992 -60.875 1.00 27.16 ? 323 SER A OG 1 ATOM 2452 N N . ALA A 1 322 ? -5.553 -11.569 -59.949 1.00 22.30 ? 324 ALA A N 1 ATOM 2453 C CA . ALA A 1 322 ? -6.748 -10.993 -60.579 1.00 31.21 ? 324 ALA A CA 1 ATOM 2454 C C . ALA A 1 322 ? -7.121 -11.683 -61.895 1.00 31.36 ? 324 ALA A C 1 ATOM 2455 O O . ALA A 1 322 ? -8.286 -11.693 -62.288 1.00 33.95 ? 324 ALA A O 1 ATOM 2456 C CB . ALA A 1 322 ? -6.553 -9.491 -60.810 1.00 26.44 ? 324 ALA A CB 1 ATOM 2457 N N . SER A 1 323 ? -6.134 -12.283 -62.549 1.00 31.21 ? 325 SER A N 1 ATOM 2458 C CA . SER A 1 323 ? -6.334 -12.911 -63.851 1.00 39.15 ? 325 SER A CA 1 ATOM 2459 C C . SER A 1 323 ? -7.262 -14.130 -63.829 1.00 44.37 ? 325 SER A C 1 ATOM 2460 O O . SER A 1 323 ? -7.851 -14.477 -64.855 1.00 52.81 ? 325 SER A O 1 ATOM 2461 C CB . SER A 1 323 ? -4.978 -13.311 -64.447 1.00 41.77 ? 325 SER A CB 1 ATOM 2462 O OG . SER A 1 323 ? -4.198 -14.061 -63.526 1.00 46.95 ? 325 SER A OG 1 ATOM 2463 N N . ARG A 1 324 ? -7.393 -14.777 -62.673 1.00 34.21 ? 326 ARG A N 1 ATOM 2464 C CA . ARG A 1 324 ? -8.222 -15.976 -62.558 1.00 27.45 ? 326 ARG A CA 1 ATOM 2465 C C . ARG A 1 324 ? -9.515 -15.723 -61.776 1.00 30.07 ? 326 ARG A C 1 ATOM 2466 O O . ARG A 1 324 ? -9.693 -14.660 -61.176 1.00 32.69 ? 326 ARG A O 1 ATOM 2467 C CB . ARG A 1 324 ? -7.428 -17.102 -61.901 1.00 26.58 ? 326 ARG A CB 1 ATOM 2468 C CG . ARG A 1 324 ? -6.319 -17.652 -62.775 1.00 29.96 ? 326 ARG A CG 1 ATOM 2469 C CD . ARG A 1 324 ? -5.548 -18.731 -62.060 1.00 23.81 ? 326 ARG A CD 1 ATOM 2470 N NE . ARG A 1 324 ? -4.516 -19.315 -62.905 1.00 28.14 ? 326 ARG A NE 1 ATOM 2471 C CZ . ARG A 1 324 ? -3.547 -20.110 -62.457 1.00 36.04 ? 326 ARG A CZ 1 ATOM 2472 N NH1 . ARG A 1 324 ? -3.478 -20.413 -61.165 1.00 33.02 ? 326 ARG A NH1 1 ATOM 2473 N NH2 . ARG A 1 324 ? -2.644 -20.601 -63.296 1.00 33.81 ? 326 ARG A NH2 1 ATOM 2474 N N . ARG A 1 325 ? -10.415 -16.702 -61.786 1.00 25.15 ? 327 ARG A N 1 ATOM 2475 C CA . ARG A 1 325 ? -11.703 -16.558 -61.105 1.00 33.18 ? 327 ARG A CA 1 ATOM 2476 C C . ARG A 1 325 ? -11.698 -17.173 -59.698 1.00 29.82 ? 327 ARG A C 1 ATOM 2477 O O . ARG A 1 325 ? -11.614 -18.393 -59.528 1.00 26.45 ? 327 ARG A O 1 ATOM 2478 C CB . ARG A 1 325 ? -12.826 -17.162 -61.962 1.00 27.40 ? 327 ARG A CB 1 ATOM 2479 C CG . ARG A 1 325 ? -12.943 -16.465 -63.325 1.00 36.26 ? 327 ARG A CG 1 ATOM 2480 C CD . ARG A 1 325 ? -14.161 -16.894 -64.115 1.00 33.61 ? 327 ARG A CD 1 ATOM 2481 N NE . ARG A 1 325 ? -14.055 -18.281 -64.550 1.00 37.05 ? 327 ARG A NE 1 ATOM 2482 C CZ . ARG A 1 325 ? -14.977 -19.206 -64.314 1.00 40.81 ? 327 ARG A CZ 1 ATOM 2483 N NH1 . ARG A 1 325 ? -16.089 -18.885 -63.658 1.00 42.00 ? 327 ARG A NH1 1 ATOM 2484 N NH2 . ARG A 1 325 ? -14.794 -20.447 -64.741 1.00 38.10 ? 327 ARG A NH2 1 ATOM 2485 N N . SER A 1 326 ? -11.785 -16.301 -58.695 1.00 25.50 ? 328 SER A N 1 ATOM 2486 C CA . SER A 1 326 ? -11.731 -16.708 -57.299 1.00 25.57 ? 328 SER A CA 1 ATOM 2487 C C . SER A 1 326 ? -13.111 -16.713 -56.659 1.00 23.97 ? 328 SER A C 1 ATOM 2488 O O . SER A 1 326 ? -14.112 -16.370 -57.288 1.00 24.41 ? 328 SER A O 1 ATOM 2489 C CB . SER A 1 326 ? -10.807 -15.779 -56.503 1.00 24.46 ? 328 SER A CB 1 ATOM 2490 O OG . SER A 1 326 ? -9.490 -15.746 -57.036 1.00 26.38 ? 328 SER A OG 1 ATOM 2491 N N . ASP A 1 327 ? -13.151 -17.109 -55.395 1.00 27.47 ? 329 ASP A N 1 ATOM 2492 C CA . ASP A 1 327 ? -14.351 -16.985 -54.582 1.00 25.36 ? 329 ASP A CA 1 ATOM 2493 C C . ASP A 1 327 ? -13.944 -16.559 -53.174 1.00 29.53 ? 329 ASP A C 1 ATOM 2494 O O . ASP A 1 327 ? -12.757 -16.583 -52.836 1.00 28.15 ? 329 ASP A O 1 ATOM 2495 C CB . ASP A 1 327 ? -15.118 -18.299 -54.545 1.00 23.66 ? 329 ASP A CB 1 ATOM 2496 C CG . ASP A 1 327 ? -14.312 -19.417 -53.917 1.00 29.68 ? 329 ASP A CG 1 ATOM 2497 O OD1 . ASP A 1 327 ? -14.078 -19.361 -52.688 1.00 26.99 ? 329 ASP A OD1 1 ATOM 2498 O OD2 . ASP A 1 327 ? -13.914 -20.350 -54.650 1.00 32.98 ? 329 ASP A OD2 1 ATOM 2499 N N . ASN A 1 328 ? -14.912 -16.179 -52.347 1.00 20.92 ? 330 ASN A N 1 ATOM 2500 C CA . ASN A 1 328 ? -14.592 -15.839 -50.972 1.00 19.99 ? 330 ASN A CA 1 ATOM 2501 C C . ASN A 1 328 ? -15.377 -16.738 -50.016 1.00 21.05 ? 330 ASN A C 1 ATOM 2502 O O . ASN A 1 328 ? -15.791 -16.325 -48.931 1.00 21.38 ? 330 ASN A O 1 ATOM 2503 C CB . ASN A 1 328 ? -14.839 -14.340 -50.705 1.00 23.83 ? 330 ASN A CB 1 ATOM 2504 C CG . ASN A 1 328 ? -16.273 -13.906 -50.971 1.00 22.14 ? 330 ASN A CG 1 ATOM 2505 O OD1 . ASN A 1 328 ? -17.124 -14.711 -51.343 1.00 24.38 ? 330 ASN A OD1 1 ATOM 2506 N ND2 . ASN A 1 328 ? -16.543 -12.615 -50.768 1.00 23.39 ? 330 ASN A ND2 1 ATOM 2507 N N . ALA A 1 329 ? -15.558 -17.985 -50.441 1.00 23.55 ? 331 ALA A N 1 ATOM 2508 C CA . ALA A 1 329 ? -16.260 -18.998 -49.658 1.00 23.03 ? 331 ALA A CA 1 ATOM 2509 C C . ALA A 1 329 ? -15.608 -19.304 -48.309 1.00 22.78 ? 331 ALA A C 1 ATOM 2510 O O . ALA A 1 329 ? -16.319 -19.543 -47.328 1.00 20.65 ? 331 ALA A O 1 ATOM 2511 C CB . ALA A 1 329 ? -16.386 -20.278 -50.465 1.00 21.81 ? 331 ALA A CB 1 ATOM 2512 N N . THR A 1 330 ? -14.275 -19.320 -48.248 1.00 18.64 ? 332 THR A N 1 ATOM 2513 C CA . THR A 1 330 ? -13.613 -19.617 -46.976 1.00 19.18 ? 332 THR A CA 1 ATOM 2514 C C . THR A 1 330 ? -13.684 -18.403 -46.043 1.00 21.27 ? 332 THR A C 1 ATOM 2515 O O . THR A 1 330 ? -13.744 -18.563 -44.818 1.00 20.09 ? 332 THR A O 1 ATOM 2516 C CB . THR A 1 330 ? -12.127 -20.071 -47.157 1.00 19.22 ? 332 THR A CB 1 ATOM 2517 O OG1 . THR A 1 330 ? -11.323 -18.995 -47.659 1.00 23.20 ? 332 THR A OG1 1 ATOM 2518 C CG2 . THR A 1 330 ? -12.030 -21.264 -48.102 1.00 16.33 ? 332 THR A CG2 1 ATOM 2519 N N . GLU A 1 331 ? -13.696 -17.196 -46.617 1.00 22.33 ? 333 GLU A N 1 ATOM 2520 C CA . GLU A 1 331 ? -13.942 -15.980 -45.833 1.00 20.06 ? 333 GLU A CA 1 ATOM 2521 C C . GLU A 1 331 ? -15.319 -16.029 -45.162 1.00 19.58 ? 333 GLU A C 1 ATOM 2522 O O . GLU A 1 331 ? -15.460 -15.805 -43.953 1.00 17.78 ? 333 GLU A O 1 ATOM 2523 C CB . GLU A 1 331 ? -13.835 -14.724 -46.705 1.00 20.55 ? 333 GLU A CB 1 ATOM 2524 C CG . GLU A 1 331 ? -13.969 -13.402 -45.923 1.00 18.82 ? 333 GLU A CG 1 ATOM 2525 C CD . GLU A 1 331 ? -13.705 -12.156 -46.781 1.00 25.83 ? 333 GLU A CD 1 ATOM 2526 O OE1 . GLU A 1 331 ? -13.809 -11.024 -46.253 1.00 23.89 ? 333 GLU A OE1 1 ATOM 2527 O OE2 . GLU A 1 331 ? -13.399 -12.303 -47.985 1.00 26.70 ? 333 GLU A OE2 1 ATOM 2528 N N . GLU A 1 332 ? -16.338 -16.347 -45.942 1.00 19.71 ? 334 GLU A N 1 ATOM 2529 C CA . GLU A 1 332 ? -17.690 -16.338 -45.404 1.00 23.61 ? 334 GLU A CA 1 ATOM 2530 C C . GLU A 1 332 ? -17.912 -17.502 -44.436 1.00 22.73 ? 334 GLU A C 1 ATOM 2531 O O . GLU A 1 332 ? -18.638 -17.359 -43.445 1.00 21.46 ? 334 GLU A O 1 ATOM 2532 C CB . GLU A 1 332 ? -18.711 -16.360 -46.542 1.00 17.38 ? 334 GLU A CB 1 ATOM 2533 C CG . GLU A 1 332 ? -18.612 -15.117 -47.407 1.00 21.50 ? 334 GLU A CG 1 ATOM 2534 C CD . GLU A 1 332 ? -19.859 -14.852 -48.237 1.00 25.04 ? 334 GLU A CD 1 ATOM 2535 O OE1 . GLU A 1 332 ? -20.001 -13.712 -48.726 1.00 24.71 ? 334 GLU A OE1 1 ATOM 2536 O OE2 . GLU A 1 332 ? -20.691 -15.771 -48.397 1.00 29.01 ? 334 GLU A OE2 1 ATOM 2537 N N . ALA A 1 333 ? -17.281 -18.641 -44.714 1.00 15.93 ? 335 ALA A N 1 ATOM 2538 C CA . ALA A 1 333 ? -17.330 -19.778 -43.799 1.00 18.61 ? 335 ALA A CA 1 ATOM 2539 C C . ALA A 1 333 ? -16.704 -19.387 -42.464 1.00 19.10 ? 335 ALA A C 1 ATOM 2540 O O . ALA A 1 333 ? -17.223 -19.710 -41.391 1.00 18.35 ? 335 ALA A O 1 ATOM 2541 C CB . ALA A 1 333 ? -16.609 -20.997 -44.395 1.00 16.64 ? 335 ALA A CB 1 ATOM 2542 N N . CYS A 1 334 ? -15.588 -18.673 -42.540 1.00 19.65 ? 336 CYS A N 1 ATOM 2543 C CA . CYS A 1 334 ? -14.868 -18.282 -41.336 1.00 26.27 ? 336 CYS A CA 1 ATOM 2544 C C . CYS A 1 334 ? -15.676 -17.268 -40.533 1.00 24.65 ? 336 CYS A C 1 ATOM 2545 O O . CYS A 1 334 ? -15.770 -17.356 -39.309 1.00 23.72 ? 336 CYS A O 1 ATOM 2546 C CB . CYS A 1 334 ? -13.495 -17.708 -41.692 1.00 20.25 ? 336 CYS A CB 1 ATOM 2547 S SG . CYS A 1 334 ? -12.456 -17.383 -40.272 1.00 28.42 ? 336 CYS A SG 1 ATOM 2548 N N . LEU A 1 335 ? -16.262 -16.313 -41.246 1.00 22.38 ? 337 LEU A N 1 ATOM 2549 C CA . LEU A 1 335 ? -17.040 -15.233 -40.644 1.00 25.14 ? 337 LEU A CA 1 ATOM 2550 C C . LEU A 1 335 ? -18.234 -15.738 -39.832 1.00 28.99 ? 337 LEU A C 1 ATOM 2551 O O . LEU A 1 335 ? -18.551 -15.187 -38.770 1.00 27.79 ? 337 LEU A O 1 ATOM 2552 C CB . LEU A 1 335 ? -17.529 -14.290 -41.738 1.00 26.49 ? 337 LEU A CB 1 ATOM 2553 C CG . LEU A 1 335 ? -17.561 -12.788 -41.517 1.00 29.74 ? 337 LEU A CG 1 ATOM 2554 C CD1 . LEU A 1 335 ? -16.269 -12.289 -40.900 1.00 32.66 ? 337 LEU A CD1 1 ATOM 2555 C CD2 . LEU A 1 335 ? -17.791 -12.150 -42.878 1.00 28.77 ? 337 LEU A CD2 1 ATOM 2556 N N . GLN A 1 336 ? -18.893 -16.783 -40.331 1.00 18.70 ? 338 GLN A N 1 ATOM 2557 C CA . GLN A 1 336 ? -20.074 -17.310 -39.664 1.00 22.30 ? 338 GLN A CA 1 ATOM 2558 C C . GLN A 1 336 ? -19.756 -18.398 -38.641 1.00 21.34 ? 338 GLN A C 1 ATOM 2559 O O . GLN A 1 336 ? -20.669 -18.970 -38.050 1.00 23.97 ? 338 GLN A O 1 ATOM 2560 C CB . GLN A 1 336 ? -21.070 -17.854 -40.691 1.00 19.51 ? 338 GLN A CB 1 ATOM 2561 C CG . GLN A 1 336 ? -20.604 -19.078 -41.443 1.00 18.84 ? 338 GLN A CG 1 ATOM 2562 C CD . GLN A 1 336 ? -21.608 -19.535 -42.490 1.00 21.92 ? 338 GLN A CD 1 ATOM 2563 O OE1 . GLN A 1 336 ? -22.445 -18.752 -42.951 1.00 26.43 ? 338 GLN A OE1 1 ATOM 2564 N NE2 . GLN A 1 336 ? -21.527 -20.802 -42.875 1.00 18.14 ? 338 GLN A NE2 1 ATOM 2565 N N . THR A 1 337 ? -18.476 -18.683 -38.422 1.00 18.12 ? 339 THR A N 1 ATOM 2566 C CA . THR A 1 337 ? -18.098 -19.768 -37.520 1.00 19.28 ? 339 THR A CA 1 ATOM 2567 C C . THR A 1 337 ? -17.357 -19.247 -36.287 1.00 21.51 ? 339 THR A C 1 ATOM 2568 O O . THR A 1 337 ? -16.364 -18.523 -36.408 1.00 19.50 ? 339 THR A O 1 ATOM 2569 C CB . THR A 1 337 ? -17.222 -20.821 -38.249 1.00 18.28 ? 339 THR A CB 1 ATOM 2570 O OG1 . THR A 1 337 ? -17.944 -21.365 -39.362 1.00 19.43 ? 339 THR A OG1 1 ATOM 2571 C CG2 . THR A 1 337 ? -16.832 -21.950 -37.317 1.00 15.53 ? 339 THR A CG2 1 ATOM 2572 N N . GLU A 1 338 ? -17.860 -19.615 -35.108 1.00 25.80 ? 340 GLU A N 1 ATOM 2573 C CA . GLU A 1 338 ? -17.224 -19.283 -33.825 1.00 29.17 ? 340 GLU A CA 1 ATOM 2574 C C . GLU A 1 338 ? -15.795 -19.789 -33.751 1.00 25.31 ? 340 GLU A C 1 ATOM 2575 O O . GLU A 1 338 ? -15.510 -20.910 -34.164 1.00 25.01 ? 340 GLU A O 1 ATOM 2576 C CB . GLU A 1 338 ? -18.004 -19.890 -32.654 1.00 30.49 ? 340 GLU A CB 1 ATOM 2577 C CG . GLU A 1 338 ? -19.471 -19.527 -32.591 1.00 40.66 ? 340 GLU A CG 1 ATOM 2578 C CD . GLU A 1 338 ? -19.695 -18.100 -32.159 1.00 38.29 ? 340 GLU A CD 1 ATOM 2579 O OE1 . GLU A 1 338 ? -19.808 -17.859 -30.936 1.00 40.71 ? 340 GLU A OE1 1 ATOM 2580 O OE2 . GLU A 1 338 ? -19.763 -17.219 -33.040 1.00 46.35 ? 340 GLU A OE2 1 ATOM 2581 N N . GLY A 1 339 ? -14.903 -18.973 -33.209 1.00 24.10 ? 341 GLY A N 1 ATOM 2582 C CA . GLY A 1 339 ? -13.543 -19.406 -32.948 1.00 23.82 ? 341 GLY A CA 1 ATOM 2583 C C . GLY A 1 339 ? -12.653 -19.388 -34.172 1.00 23.62 ? 341 GLY A C 1 ATOM 2584 O O . GLY A 1 339 ? -11.575 -19.958 -34.163 1.00 26.91 ? 341 GLY A O 1 ATOM 2585 N N . CYS A 1 340 ? -13.105 -18.739 -35.235 1.00 23.84 ? 342 CYS A N 1 ATOM 2586 C CA . CYS A 1 340 ? -12.314 -18.658 -36.457 1.00 23.41 ? 342 CYS A CA 1 ATOM 2587 C C . CYS A 1 340 ? -11.848 -17.220 -36.734 1.00 26.64 ? 342 CYS A C 1 ATOM 2588 O O . CYS A 1 340 ? -12.648 -16.276 -36.753 1.00 26.96 ? 342 CYS A O 1 ATOM 2589 C CB . CYS A 1 340 ? -13.115 -19.203 -37.638 1.00 23.26 ? 342 CYS A CB 1 ATOM 2590 S SG . CYS A 1 340 ? -12.244 -19.119 -39.205 1.00 36.26 ? 342 CYS A SG 1 ATOM 2591 N N . ILE A 1 341 ? -10.544 -17.065 -36.922 1.00 16.47 ? 343 ILE A N 1 ATOM 2592 C CA . ILE A 1 341 ? -9.937 -15.775 -37.209 1.00 17.47 ? 343 ILE A CA 1 ATOM 2593 C C . ILE A 1 341 ? -9.475 -15.701 -38.668 1.00 20.58 ? 343 ILE A C 1 ATOM 2594 O O . ILE A 1 341 ? -8.713 -16.552 -39.120 1.00 20.10 ? 343 ILE A O 1 ATOM 2595 C CB . ILE A 1 341 ? -8.744 -15.523 -36.280 1.00 17.03 ? 343 ILE A CB 1 ATOM 2596 C CG1 . ILE A 1 341 ? -9.203 -15.560 -34.813 1.00 20.04 ? 343 ILE A CG1 1 ATOM 2597 C CG2 . ILE A 1 341 ? -8.065 -14.206 -36.622 1.00 17.19 ? 343 ILE A CG2 1 ATOM 2598 C CD1 . ILE A 1 341 ? -8.067 -15.638 -33.804 1.00 15.65 ? 343 ILE A CD1 1 ATOM 2599 N N . PHE A 1 342 ? -9.931 -14.688 -39.401 1.00 17.30 ? 344 PHE A N 1 ATOM 2600 C CA . PHE A 1 342 ? -9.627 -14.592 -40.833 1.00 17.32 ? 344 PHE A CA 1 ATOM 2601 C C . PHE A 1 342 ? -8.548 -13.566 -41.194 1.00 18.85 ? 344 PHE A C 1 ATOM 2602 O O . PHE A 1 342 ? -8.640 -12.397 -40.832 1.00 16.07 ? 344 PHE A O 1 ATOM 2603 C CB . PHE A 1 342 ? -10.893 -14.263 -41.613 1.00 20.04 ? 344 PHE A CB 1 ATOM 2604 C CG . PHE A 1 342 ? -10.750 -14.438 -43.094 1.00 20.72 ? 344 PHE A CG 1 ATOM 2605 C CD1 . PHE A 1 342 ? -10.670 -13.338 -43.932 1.00 17.05 ? 344 PHE A CD1 1 ATOM 2606 C CD2 . PHE A 1 342 ? -10.684 -15.708 -43.647 1.00 19.02 ? 344 PHE A CD2 1 ATOM 2607 C CE1 . PHE A 1 342 ? -10.541 -13.502 -45.306 1.00 22.10 ? 344 PHE A CE1 1 ATOM 2608 C CE2 . PHE A 1 342 ? -10.544 -15.881 -45.016 1.00 18.93 ? 344 PHE A CE2 1 ATOM 2609 C CZ . PHE A 1 342 ? -10.476 -14.775 -45.848 1.00 20.56 ? 344 PHE A CZ 1 ATOM 2610 N N . ILE A 1 343 ? -7.527 -14.014 -41.921 1.00 22.04 ? 345 ILE A N 1 ATOM 2611 C CA . ILE A 1 343 ? -6.465 -13.134 -42.392 1.00 15.89 ? 345 ILE A CA 1 ATOM 2612 C C . ILE A 1 343 ? -6.721 -12.781 -43.862 1.00 21.19 ? 345 ILE A C 1 ATOM 2613 O O . ILE A 1 343 ? -6.777 -13.659 -44.732 1.00 22.10 ? 345 ILE A O 1 ATOM 2614 C CB . ILE A 1 343 ? -5.062 -13.776 -42.219 1.00 19.29 ? 345 ILE A CB 1 ATOM 2615 C CG1 . ILE A 1 343 ? -4.702 -13.903 -40.733 1.00 20.08 ? 345 ILE A CG1 1 ATOM 2616 C CG2 . ILE A 1 343 ? -3.988 -12.945 -42.909 1.00 18.94 ? 345 ILE A CG2 1 ATOM 2617 C CD1 . ILE A 1 343 ? -5.299 -15.121 -40.048 1.00 19.60 ? 345 ILE A CD1 1 ATOM 2618 N N . LYS A 1 344 ? -6.884 -11.488 -44.125 1.00 21.09 ? 346 LYS A N 1 ATOM 2619 C CA . LYS A 1 344 ? -7.290 -10.992 -45.439 1.00 21.83 ? 346 LYS A CA 1 ATOM 2620 C C . LYS A 1 344 ? -6.335 -9.923 -45.958 1.00 20.77 ? 346 LYS A C 1 ATOM 2621 O O . LYS A 1 344 ? -6.026 -8.977 -45.243 1.00 22.23 ? 346 LYS A O 1 ATOM 2622 C CB . LYS A 1 344 ? -8.711 -10.422 -45.363 1.00 19.93 ? 346 LYS A CB 1 ATOM 2623 C CG . LYS A 1 344 ? -9.277 -9.928 -46.682 1.00 28.24 ? 346 LYS A CG 1 ATOM 2624 C CD . LYS A 1 344 ? -10.784 -9.628 -46.580 1.00 25.52 ? 346 LYS A CD 1 ATOM 2625 C CE . LYS A 1 344 ? -11.400 -9.333 -47.951 1.00 19.11 ? 346 LYS A CE 1 ATOM 2626 N NZ . LYS A 1 344 ? -12.847 -9.008 -47.844 1.00 22.39 ? 346 LYS A NZ 1 ATOM 2627 N N . LYS A 1 345 ? -5.878 -10.080 -47.199 1.00 17.96 ? 347 LYS A N 1 ATOM 2628 C CA . LYS A 1 345 ? -5.080 -9.062 -47.897 1.00 19.92 ? 347 LYS A CA 1 ATOM 2629 C C . LYS A 1 345 ? -5.900 -7.817 -48.267 1.00 20.84 ? 347 LYS A C 1 ATOM 2630 O O . LYS A 1 345 ? -7.117 -7.895 -48.424 1.00 16.22 ? 347 LYS A O 1 ATOM 2631 C CB . LYS A 1 345 ? -4.464 -9.653 -49.176 1.00 19.39 ? 347 LYS A CB 1 ATOM 2632 C CG . LYS A 1 345 ? -3.138 -10.381 -48.973 1.00 14.76 ? 347 LYS A CG 1 ATOM 2633 C CD . LYS A 1 345 ? -2.802 -11.268 -50.165 1.00 22.70 ? 347 LYS A CD 1 ATOM 2634 C CE . LYS A 1 345 ? -2.872 -10.514 -51.497 1.00 20.02 ? 347 LYS A CE 1 ATOM 2635 N NZ . LYS A 1 345 ? -1.849 -9.437 -51.569 1.00 15.00 ? 347 LYS A NZ 1 ATOM 2636 N N . THR A 1 346 ? -5.223 -6.682 -48.444 1.00 24.58 ? 348 THR A N 1 ATOM 2637 C CA . THR A 1 346 ? -5.891 -5.445 -48.850 1.00 26.71 ? 348 THR A CA 1 ATOM 2638 C C . THR A 1 346 ? -5.530 -5.035 -50.289 1.00 29.80 ? 348 THR A C 1 ATOM 2639 O O . THR A 1 346 ? -6.066 -4.061 -50.824 1.00 32.92 ? 348 THR A O 1 ATOM 2640 C CB . THR A 1 346 ? -5.553 -4.276 -47.887 1.00 25.81 ? 348 THR A CB 1 ATOM 2641 O OG1 . THR A 1 346 ? -4.201 -3.844 -48.092 1.00 24.25 ? 348 THR A OG1 1 ATOM 2642 C CG2 . THR A 1 346 ? -5.734 -4.709 -46.427 1.00 22.94 ? 348 THR A CG2 1 ATOM 2643 N N . THR A 1 347 ? -4.620 -5.777 -50.907 1.00 29.94 ? 349 THR A N 1 ATOM 2644 C CA . THR A 1 347 ? -4.191 -5.503 -52.280 1.00 36.05 ? 349 THR A CA 1 ATOM 2645 C C . THR A 1 347 ? -4.209 -6.815 -53.081 1.00 31.20 ? 349 THR A C 1 ATOM 2646 O O . THR A 1 347 ? -4.353 -7.876 -52.491 1.00 30.71 ? 349 THR A O 1 ATOM 2647 C CB . THR A 1 347 ? -2.787 -4.850 -52.307 1.00 31.50 ? 349 THR A CB 1 ATOM 2648 O OG1 . THR A 1 347 ? -1.812 -5.768 -51.808 1.00 28.52 ? 349 THR A OG1 1 ATOM 2649 C CG2 . THR A 1 347 ? -2.766 -3.574 -51.470 1.00 33.14 ? 349 THR A CG2 1 ATOM 2650 N N . PRO A 1 348 ? -4.098 -6.753 -54.424 1.00 34.32 ? 350 PRO A N 1 ATOM 2651 C CA . PRO A 1 348 ? -4.231 -8.010 -55.175 1.00 31.98 ? 350 PRO A CA 1 ATOM 2652 C C . PRO A 1 348 ? -3.088 -8.991 -54.949 1.00 27.39 ? 350 PRO A C 1 ATOM 2653 O O . PRO A 1 348 ? -1.986 -8.594 -54.545 1.00 23.47 ? 350 PRO A O 1 ATOM 2654 C CB . PRO A 1 348 ? -4.237 -7.551 -56.641 1.00 31.23 ? 350 PRO A CB 1 ATOM 2655 C CG . PRO A 1 348 ? -4.568 -6.112 -56.596 1.00 37.42 ? 350 PRO A CG 1 ATOM 2656 C CD . PRO A 1 348 ? -3.962 -5.602 -55.332 1.00 35.45 ? 350 PRO A CD 1 ATOM 2657 N N . TYR A 1 349 ? -3.353 -10.267 -55.213 1.00 27.83 ? 351 TYR A N 1 ATOM 2658 C CA . TYR A 1 349 ? -2.299 -11.264 -55.169 1.00 25.55 ? 351 TYR A CA 1 ATOM 2659 C C . TYR A 1 349 ? -1.412 -11.112 -56.396 1.00 28.42 ? 351 TYR A C 1 ATOM 2660 O O . TYR A 1 349 ? -1.861 -11.313 -57.517 1.00 28.96 ? 351 TYR A O 1 ATOM 2661 C CB . TYR A 1 349 ? -2.863 -12.682 -55.098 1.00 23.50 ? 351 TYR A CB 1 ATOM 2662 C CG . TYR A 1 349 ? -1.843 -13.673 -54.586 1.00 29.76 ? 351 TYR A CG 1 ATOM 2663 C CD1 . TYR A 1 349 ? -1.856 -14.099 -53.256 1.00 28.54 ? 351 TYR A CD1 1 ATOM 2664 C CD2 . TYR A 1 349 ? -0.838 -14.153 -55.417 1.00 23.77 ? 351 TYR A CD2 1 ATOM 2665 C CE1 . TYR A 1 349 ? -0.903 -14.993 -52.780 1.00 26.69 ? 351 TYR A CE1 1 ATOM 2666 C CE2 . TYR A 1 349 ? 0.109 -15.033 -54.952 1.00 27.26 ? 351 TYR A CE2 1 ATOM 2667 C CZ . TYR A 1 349 ? 0.077 -15.455 -53.638 1.00 27.05 ? 351 TYR A CZ 1 ATOM 2668 O OH . TYR A 1 349 ? 1.031 -16.335 -53.193 1.00 25.29 ? 351 TYR A OH 1 ATOM 2669 N N . VAL A 1 350 ? -0.154 -10.742 -56.169 1.00 27.96 ? 352 VAL A N 1 ATOM 2670 C CA . VAL A 1 350 ? 0.837 -10.617 -57.230 1.00 26.94 ? 352 VAL A CA 1 ATOM 2671 C C . VAL A 1 350 ? 2.090 -11.390 -56.843 1.00 30.58 ? 352 VAL A C 1 ATOM 2672 O O . VAL A 1 350 ? 2.815 -10.987 -55.929 1.00 33.09 ? 352 VAL A O 1 ATOM 2673 C CB . VAL A 1 350 ? 1.209 -9.144 -57.496 1.00 32.52 ? 352 VAL A CB 1 ATOM 2674 C CG1 . VAL A 1 350 ? 2.046 -9.036 -58.754 1.00 34.33 ? 352 VAL A CG1 1 ATOM 2675 C CG2 . VAL A 1 350 ? -0.039 -8.295 -57.622 1.00 30.88 ? 352 VAL A CG2 1 ATOM 2676 N N . GLY A 1 351 ? 2.353 -12.496 -57.534 1.00 26.75 ? 353 GLY A N 1 ATOM 2677 C CA . GLY A 1 351 ? 3.390 -13.416 -57.098 1.00 29.15 ? 353 GLY A CA 1 ATOM 2678 C C . GLY A 1 351 ? 4.788 -13.140 -57.613 1.00 27.63 ? 353 GLY A C 1 ATOM 2679 O O . GLY A 1 351 ? 4.970 -12.362 -58.542 1.00 28.25 ? 353 GLY A O 1 ATOM 2680 N N . GLU A 1 352 ? 5.780 -13.794 -57.010 1.00 29.91 ? 354 GLU A N 1 ATOM 2681 C CA . GLU A 1 352 ? 7.171 -13.633 -57.429 1.00 28.78 ? 354 GLU A CA 1 ATOM 2682 C C . GLU A 1 352 ? 7.612 -14.712 -58.417 1.00 30.84 ? 354 GLU A C 1 ATOM 2683 O O . GLU A 1 352 ? 8.334 -14.429 -59.361 1.00 33.87 ? 354 GLU A O 1 ATOM 2684 C CB . GLU A 1 352 ? 8.107 -13.639 -56.222 1.00 24.50 ? 354 GLU A CB 1 ATOM 2685 C CG . GLU A 1 352 ? 9.555 -13.467 -56.614 1.00 26.39 ? 354 GLU A CG 1 ATOM 2686 C CD . GLU A 1 352 ? 10.517 -13.785 -55.491 1.00 32.12 ? 354 GLU A CD 1 ATOM 2687 O OE1 . GLU A 1 352 ? 11.736 -13.616 -55.691 1.00 39.90 ? 354 GLU A OE1 1 ATOM 2688 O OE2 . GLU A 1 352 ? 10.062 -14.203 -54.409 1.00 33.35 ? 354 GLU A OE2 1 ATOM 2689 N N . ALA A 1 353 ? 7.185 -15.949 -58.199 1.00 29.79 ? 355 ALA A N 1 ATOM 2690 C CA . ALA A 1 353 ? 7.518 -17.033 -59.117 1.00 31.11 ? 355 ALA A CA 1 ATOM 2691 C C . ALA A 1 353 ? 6.619 -16.982 -60.356 1.00 30.99 ? 355 ALA A C 1 ATOM 2692 O O . ALA A 1 353 ? 7.119 -16.879 -61.467 1.00 32.51 ? 355 ALA A O 1 ATOM 2693 C CB . ALA A 1 353 ? 7.405 -18.383 -58.419 1.00 24.88 ? 355 ALA A CB 1 ATOM 2694 N N . ASP A 1 354 ? 5.305 -17.079 -60.146 1.00 39.18 ? 356 ASP A N 1 ATOM 2695 C CA . ASP A 1 354 ? 4.282 -16.838 -61.180 1.00 43.11 ? 356 ASP A CA 1 ATOM 2696 C C . ASP A 1 354 ? 3.401 -15.656 -60.767 1.00 41.58 ? 356 ASP A C 1 ATOM 2697 O O . ASP A 1 354 ? 3.684 -14.985 -59.780 1.00 36.59 ? 356 ASP A O 1 ATOM 2698 C CB . ASP A 1 354 ? 3.359 -18.047 -61.386 1.00 43.51 ? 356 ASP A CB 1 ATOM 2699 C CG . ASP A 1 354 ? 4.065 -19.363 -61.263 1.00 50.09 ? 356 ASP A CG 1 ATOM 2700 O OD1 . ASP A 1 354 ? 5.224 -19.466 -61.714 1.00 61.66 ? 356 ASP A OD1 1 ATOM 2701 O OD2 . ASP A 1 354 ? 3.451 -20.310 -60.733 1.00 49.23 ? 356 ASP A OD2 1 ATOM 2702 N N . ASP A 1 355 ? 2.306 -15.449 -61.498 1.00 37.02 ? 357 ASP A N 1 ATOM 2703 C CA . ASP A 1 355 ? 1.231 -14.542 -61.074 1.00 37.01 ? 357 ASP A CA 1 ATOM 2704 C C . ASP A 1 355 ? 0.663 -14.922 -59.701 1.00 35.38 ? 357 ASP A C 1 ATOM 2705 O O . ASP A 1 355 ? 0.331 -14.053 -58.892 1.00 32.73 ? 357 ASP A O 1 ATOM 2706 C CB . ASP A 1 355 ? 0.074 -14.547 -62.090 1.00 30.63 ? 357 ASP A CB 1 ATOM 2707 C CG . ASP A 1 355 ? 0.439 -13.904 -63.412 1.00 47.71 ? 357 ASP A CG 1 ATOM 2708 O OD1 . ASP A 1 355 ? 0.895 -12.741 -63.407 1.00 52.16 ? 357 ASP A OD1 1 ATOM 2709 O OD2 . ASP A 1 355 ? 0.270 -14.565 -64.462 1.00 51.10 ? 357 ASP A OD2 1 ATOM 2710 N N . ASN A 1 356 ? 0.544 -16.222 -59.449 1.00 22.58 ? 358 ASN A N 1 ATOM 2711 C CA . ASN A 1 356 ? -0.219 -16.699 -58.306 1.00 25.55 ? 358 ASN A CA 1 ATOM 2712 C C . ASN A 1 356 ? 0.606 -17.267 -57.153 1.00 22.38 ? 358 ASN A C 1 ATOM 2713 O O . ASN A 1 356 ? 0.071 -18.001 -56.325 1.00 25.33 ? 358 ASN A O 1 ATOM 2714 C CB . ASN A 1 356 ? -1.223 -17.765 -58.768 1.00 27.61 ? 358 ASN A CB 1 ATOM 2715 C CG . ASN A 1 356 ? -2.201 -17.238 -59.815 1.00 30.20 ? 358 ASN A CG 1 ATOM 2716 O OD1 . ASN A 1 356 ? -3.083 -16.431 -59.510 1.00 24.95 ? 358 ASN A OD1 1 ATOM 2717 N ND2 . ASN A 1 356 ? -2.061 -17.711 -61.047 1.00 29.27 ? 358 ASN A ND2 1 ATOM 2718 N N . HIS A 1 357 ? 1.890 -16.922 -57.077 1.00 22.01 ? 359 HIS A N 1 ATOM 2719 C CA . HIS A 1 357 ? 2.770 -17.510 -56.063 1.00 21.48 ? 359 HIS A CA 1 ATOM 2720 C C . HIS A 1 357 ? 3.869 -16.573 -55.585 1.00 26.23 ? 359 HIS A C 1 ATOM 2721 O O . HIS A 1 357 ? 4.738 -16.175 -56.366 1.00 26.12 ? 359 HIS A O 1 ATOM 2722 C CB . HIS A 1 357 ? 3.436 -18.785 -56.586 1.00 19.43 ? 359 HIS A CB 1 ATOM 2723 C CG . HIS A 1 357 ? 2.474 -19.834 -57.036 1.00 22.11 ? 359 HIS A CG 1 ATOM 2724 N ND1 . HIS A 1 357 ? 1.954 -19.868 -58.313 1.00 24.07 ? 359 HIS A ND1 1 ATOM 2725 C CD2 . HIS A 1 357 ? 1.922 -20.879 -56.375 1.00 24.04 ? 359 HIS A CD2 1 ATOM 2726 C CE1 . HIS A 1 357 ? 1.133 -20.896 -58.423 1.00 22.87 ? 359 HIS A CE1 1 ATOM 2727 N NE2 . HIS A 1 357 ? 1.093 -21.524 -57.261 1.00 27.17 ? 359 HIS A NE2 1 ATOM 2728 N N . GLY A 1 358 ? 3.845 -16.254 -54.292 1.00 23.17 ? 360 GLY A N 1 ATOM 2729 C CA . GLY A 1 358 ? 4.909 -15.490 -53.671 1.00 21.32 ? 360 GLY A CA 1 ATOM 2730 C C . GLY A 1 358 ? 4.596 -14.011 -53.666 1.00 21.09 ? 360 GLY A C 1 ATOM 2731 O O . GLY A 1 358 ? 5.258 -13.238 -54.350 1.00 23.86 ? 360 GLY A O 1 ATOM 2732 N N . ASP A 1 359 ? 3.587 -13.643 -52.877 1.00 26.65 ? 361 ASP A N 1 ATOM 2733 C CA . ASP A 1 359 ? 3.025 -12.296 -52.800 1.00 21.01 ? 361 ASP A CA 1 ATOM 2734 C C . ASP A 1 359 ? 3.620 -11.537 -51.617 1.00 24.55 ? 361 ASP A C 1 ATOM 2735 O O . ASP A 1 359 ? 3.714 -12.068 -50.519 1.00 28.92 ? 361 ASP A O 1 ATOM 2736 C CB . ASP A 1 359 ? 1.493 -12.387 -52.681 1.00 23.70 ? 361 ASP A CB 1 ATOM 2737 C CG . ASP A 1 359 ? 0.819 -11.024 -52.473 1.00 28.51 ? 361 ASP A CG 1 ATOM 2738 O OD1 . ASP A 1 359 ? 0.426 -10.394 -53.480 1.00 24.41 ? 361 ASP A OD1 1 ATOM 2739 O OD2 . ASP A 1 359 ? 0.653 -10.599 -51.302 1.00 24.14 ? 361 ASP A OD2 1 ATOM 2740 N N . ILE A 1 360 ? 4.014 -10.290 -51.840 1.00 25.15 ? 362 ILE A N 1 ATOM 2741 C CA . ILE A 1 360 ? 4.728 -9.516 -50.827 1.00 23.55 ? 362 ILE A CA 1 ATOM 2742 C C . ILE A 1 360 ? 3.861 -9.200 -49.609 1.00 25.35 ? 362 ILE A C 1 ATOM 2743 O O . ILE A 1 360 ? 4.325 -9.299 -48.467 1.00 23.66 ? 362 ILE A O 1 ATOM 2744 C CB . ILE A 1 360 ? 5.274 -8.206 -51.426 1.00 27.57 ? 362 ILE A CB 1 ATOM 2745 C CG1 . ILE A 1 360 ? 6.450 -8.512 -52.358 1.00 30.89 ? 362 ILE A CG1 1 ATOM 2746 C CG2 . ILE A 1 360 ? 5.707 -7.236 -50.336 1.00 24.96 ? 362 ILE A CG2 1 ATOM 2747 C CD1 . ILE A 1 360 ? 7.172 -7.274 -52.847 1.00 30.57 ? 362 ILE A CD1 1 ATOM 2748 N N . GLU A 1 361 ? 2.603 -8.834 -49.840 1.00 24.31 ? 363 GLU A N 1 ATOM 2749 C CA . GLU A 1 361 ? 1.720 -8.536 -48.721 1.00 27.21 ? 363 GLU A CA 1 ATOM 2750 C C . GLU A 1 361 ? 1.451 -9.802 -47.908 1.00 22.07 ? 363 GLU A C 1 ATOM 2751 O O . GLU A 1 361 ? 1.483 -9.776 -46.676 1.00 24.07 ? 363 GLU A O 1 ATOM 2752 C CB . GLU A 1 361 ? 0.395 -7.919 -49.185 1.00 24.36 ? 363 GLU A CB 1 ATOM 2753 C CG . GLU A 1 361 ? -0.415 -7.372 -48.008 1.00 22.32 ? 363 GLU A CG 1 ATOM 2754 C CD . GLU A 1 361 ? -1.832 -6.963 -48.372 1.00 24.52 ? 363 GLU A CD 1 ATOM 2755 O OE1 . GLU A 1 361 ? -2.188 -7.022 -49.563 1.00 26.43 ? 363 GLU A OE1 1 ATOM 2756 O OE2 . GLU A 1 361 ? -2.595 -6.581 -47.458 1.00 25.84 ? 363 GLU A OE2 1 ATOM 2757 N N . MET A 1 362 ? 1.209 -10.915 -48.590 1.00 20.65 ? 364 MET A N 1 ATOM 2758 C CA . MET A 1 362 ? 0.893 -12.139 -47.872 1.00 22.42 ? 364 MET A CA 1 ATOM 2759 C C . MET A 1 362 ? 2.099 -12.583 -47.058 1.00 24.70 ? 364 MET A C 1 ATOM 2760 O O . MET A 1 362 ? 1.945 -13.142 -45.969 1.00 22.85 ? 364 MET A O 1 ATOM 2761 C CB . MET A 1 362 ? 0.452 -13.259 -48.817 1.00 20.19 ? 364 MET A CB 1 ATOM 2762 C CG . MET A 1 362 ? -0.136 -14.456 -48.072 1.00 18.63 ? 364 MET A CG 1 ATOM 2763 S SD . MET A 1 362 ? -1.664 -14.054 -47.179 1.00 20.48 ? 364 MET A SD 1 ATOM 2764 C CE . MET A 1 362 ? -2.912 -14.444 -48.404 1.00 15.41 ? 364 MET A CE 1 ATOM 2765 N N . ARG A 1 363 ? 3.302 -12.324 -47.568 1.00 22.68 ? 365 ARG A N 1 ATOM 2766 C CA . ARG A 1 363 ? 4.486 -12.738 -46.830 1.00 25.02 ? 365 ARG A CA 1 ATOM 2767 C C . ARG A 1 363 ? 4.603 -11.891 -45.565 1.00 23.52 ? 365 ARG A C 1 ATOM 2768 O O . ARG A 1 363 ? 5.000 -12.400 -44.516 1.00 25.16 ? 365 ARG A O 1 ATOM 2769 C CB . ARG A 1 363 ? 5.751 -12.658 -47.697 1.00 21.30 ? 365 ARG A CB 1 ATOM 2770 C CG . ARG A 1 363 ? 5.691 -13.588 -48.914 1.00 25.45 ? 365 ARG A CG 1 ATOM 2771 C CD . ARG A 1 363 ? 7.048 -14.108 -49.361 1.00 27.22 ? 365 ARG A CD 1 ATOM 2772 N NE . ARG A 1 363 ? 7.569 -13.403 -50.520 1.00 24.23 ? 365 ARG A NE 1 ATOM 2773 C CZ . ARG A 1 363 ? 7.872 -13.960 -51.691 1.00 27.52 ? 365 ARG A CZ 1 ATOM 2774 N NH1 . ARG A 1 363 ? 7.724 -15.265 -51.896 1.00 23.05 ? 365 ARG A NH1 1 ATOM 2775 N NH2 . ARG A 1 363 ? 8.344 -13.194 -52.665 1.00 28.09 ? 365 ARG A NH2 1 ATOM 2776 N N . GLN A 1 364 ? 4.220 -10.621 -45.651 1.00 20.23 ? 366 GLN A N 1 ATOM 2777 C CA . GLN A 1 364 ? 4.213 -9.754 -44.479 1.00 24.12 ? 366 GLN A CA 1 ATOM 2778 C C . GLN A 1 364 ? 3.171 -10.206 -43.460 1.00 26.31 ? 366 GLN A C 1 ATOM 2779 O O . GLN A 1 364 ? 3.474 -10.308 -42.274 1.00 21.24 ? 366 GLN A O 1 ATOM 2780 C CB . GLN A 1 364 ? 3.948 -8.300 -44.868 1.00 26.56 ? 366 GLN A CB 1 ATOM 2781 C CG . GLN A 1 364 ? 3.616 -7.417 -43.679 1.00 29.37 ? 366 GLN A CG 1 ATOM 2782 C CD . GLN A 1 364 ? 4.285 -6.047 -43.747 1.00 50.47 ? 366 GLN A CD 1 ATOM 2783 O OE1 . GLN A 1 364 ? 5.144 -5.806 -44.598 1.00 56.31 ? 366 GLN A OE1 1 ATOM 2784 N NE2 . GLN A 1 364 ? 3.882 -5.139 -42.854 1.00 48.93 ? 366 GLN A NE2 1 ATOM 2785 N N . LEU A 1 365 ? 1.953 -10.479 -43.934 1.00 21.88 ? 367 LEU A N 1 ATOM 2786 C CA . LEU A 1 365 ? 0.864 -10.935 -43.070 1.00 23.74 ? 367 LEU A CA 1 ATOM 2787 C C . LEU A 1 365 ? 1.142 -12.284 -42.411 1.00 26.98 ? 367 LEU A C 1 ATOM 2788 O O . LEU A 1 365 ? 0.673 -12.536 -41.294 1.00 26.70 ? 367 LEU A O 1 ATOM 2789 C CB . LEU A 1 365 ? -0.443 -11.020 -43.857 1.00 21.06 ? 367 LEU A CB 1 ATOM 2790 C CG . LEU A 1 365 ? -1.010 -9.671 -44.299 1.00 23.68 ? 367 LEU A CG 1 ATOM 2791 C CD1 . LEU A 1 365 ? -2.067 -9.867 -45.366 1.00 18.28 ? 367 LEU A CD1 1 ATOM 2792 C CD2 . LEU A 1 365 ? -1.564 -8.889 -43.095 1.00 19.97 ? 367 LEU A CD2 1 ATOM 2793 N N . LEU A 1 366 ? 1.905 -13.143 -43.087 1.00 19.20 ? 368 LEU A N 1 ATOM 2794 C CA . LEU A 1 366 ? 2.212 -14.465 -42.538 1.00 21.21 ? 368 LEU A CA 1 ATOM 2795 C C . LEU A 1 366 ? 3.543 -14.516 -41.786 1.00 22.37 ? 368 LEU A C 1 ATOM 2796 O O . LEU A 1 366 ? 3.842 -15.518 -41.129 1.00 20.47 ? 368 LEU A O 1 ATOM 2797 C CB . LEU A 1 366 ? 2.221 -15.522 -43.644 1.00 18.86 ? 368 LEU A CB 1 ATOM 2798 C CG . LEU A 1 366 ? 0.901 -15.751 -44.374 1.00 17.36 ? 368 LEU A CG 1 ATOM 2799 C CD1 . LEU A 1 366 ? 0.985 -16.982 -45.265 1.00 13.51 ? 368 LEU A CD1 1 ATOM 2800 C CD2 . LEU A 1 366 ? -0.228 -15.875 -43.358 1.00 19.27 ? 368 LEU A CD2 1 ATOM 2801 N N . SER A 1 367 ? 4.329 -13.442 -41.862 1.00 16.30 ? 369 SER A N 1 ATOM 2802 C CA . SER A 1 367 ? 5.667 -13.440 -41.262 1.00 20.83 ? 369 SER A CA 1 ATOM 2803 C C . SER A 1 367 ? 5.652 -13.713 -39.758 1.00 19.38 ? 369 SER A C 1 ATOM 2804 O O . SER A 1 367 ? 6.635 -14.180 -39.210 1.00 22.81 ? 369 SER A O 1 ATOM 2805 C CB . SER A 1 367 ? 6.384 -12.109 -41.526 1.00 18.38 ? 369 SER A CB 1 ATOM 2806 O OG . SER A 1 367 ? 5.762 -11.043 -40.831 1.00 24.00 ? 369 SER A OG 1 ATOM 2807 N N . GLY A 1 368 ? 4.540 -13.419 -39.097 1.00 25.83 ? 370 GLY A N 1 ATOM 2808 C CA . GLY A 1 368 ? 4.412 -13.663 -37.671 1.00 26.82 ? 370 GLY A CA 1 ATOM 2809 C C . GLY A 1 368 ? 4.429 -15.125 -37.234 1.00 26.16 ? 370 GLY A C 1 ATOM 2810 O O . GLY A 1 368 ? 4.514 -15.417 -36.035 1.00 22.37 ? 370 GLY A O 1 ATOM 2811 N N . LEU A 1 369 ? 4.398 -16.045 -38.196 1.00 23.75 ? 371 LEU A N 1 ATOM 2812 C CA . LEU A 1 369 ? 4.246 -17.474 -37.892 1.00 26.33 ? 371 LEU A CA 1 ATOM 2813 C C . LEU A 1 369 ? 5.420 -18.384 -37.416 1.00 22.76 ? 371 LEU A C 1 ATOM 2814 O O . LEU A 1 369 ? 5.140 -19.512 -37.044 1.00 32.71 ? 371 LEU A O 1 ATOM 2815 C CB . LEU A 1 369 ? 3.641 -18.157 -39.122 1.00 19.83 ? 371 LEU A CB 1 ATOM 2816 C CG . LEU A 1 369 ? 2.138 -17.970 -39.333 1.00 21.75 ? 371 LEU A CG 1 ATOM 2817 C CD1 . LEU A 1 369 ? 1.661 -18.670 -40.605 1.00 19.62 ? 371 LEU A CD1 1 ATOM 2818 C CD2 . LEU A 1 369 ? 1.376 -18.478 -38.129 1.00 24.26 ? 371 LEU A CD2 1 ATOM 2819 N N . GLY A 1 370 ? 6.693 -17.997 -37.371 1.00 26.06 ? 372 GLY A N 1 ATOM 2820 C CA . GLY A 1 370 ? 7.238 -16.681 -37.545 1.00 23.97 ? 372 GLY A CA 1 ATOM 2821 C C . GLY A 1 370 ? 8.020 -16.387 -36.285 1.00 29.00 ? 372 GLY A C 1 ATOM 2822 O O . GLY A 1 370 ? 9.148 -16.838 -36.105 1.00 22.93 ? 372 GLY A O 1 ATOM 2823 N N . ASN A 1 371 ? 7.376 -15.666 -35.380 1.00 26.04 ? 373 ASN A N 1 ATOM 2824 C CA . ASN A 1 371 ? 8.043 -15.110 -34.224 1.00 19.67 ? 373 ASN A CA 1 ATOM 2825 C C . ASN A 1 371 ? 7.938 -15.987 -32.999 1.00 24.17 ? 373 ASN A C 1 ATOM 2826 O O . ASN A 1 371 ? 7.093 -16.883 -32.928 1.00 23.66 ? 373 ASN A O 1 ATOM 2827 C CB . ASN A 1 371 ? 7.466 -13.729 -33.923 1.00 24.41 ? 373 ASN A CB 1 ATOM 2828 C CG . ASN A 1 371 ? 7.332 -12.884 -35.168 1.00 25.35 ? 373 ASN A CG 1 ATOM 2829 O OD1 . ASN A 1 371 ? 7.961 -13.172 -36.190 1.00 26.61 ? 373 ASN A OD1 1 ATOM 2830 N ND2 . ASN A 1 371 ? 6.520 -11.836 -35.095 1.00 21.31 ? 373 ASN A ND2 1 ATOM 2831 N N . ASN A 1 372 ? 8.802 -15.710 -32.029 1.00 18.01 ? 374 ASN A N 1 ATOM 2832 C CA . ASN A 1 372 ? 8.863 -16.506 -30.820 1.00 22.42 ? 374 ASN A CA 1 ATOM 2833 C C . ASN A 1 372 ? 8.351 -15.730 -29.603 1.00 23.84 ? 374 ASN A C 1 ATOM 2834 O O . ASN A 1 372 ? 8.341 -16.250 -28.491 1.00 26.75 ? 374 ASN A O 1 ATOM 2835 C CB . ASN A 1 372 ? 10.301 -16.991 -30.584 1.00 22.69 ? 374 ASN A CB 1 ATOM 2836 C CG . ASN A 1 372 ? 11.268 -15.850 -30.309 1.00 34.08 ? 374 ASN A CG 1 ATOM 2837 O OD1 . ASN A 1 372 ? 10.992 -14.691 -30.628 1.00 38.00 ? 374 ASN A OD1 1 ATOM 2838 N ND2 . ASN A 1 372 ? 12.419 -16.176 -29.722 1.00 48.35 ? 374 ASN A ND2 1 ATOM 2839 N N . ASP A 1 373 ? 7.923 -14.489 -29.813 1.00 19.85 ? 375 ASP A N 1 ATOM 2840 C CA . ASP A 1 373 ? 7.466 -13.663 -28.700 1.00 23.47 ? 375 ASP A CA 1 ATOM 2841 C C . ASP A 1 373 ? 6.052 -13.101 -28.870 1.00 21.72 ? 375 ASP A C 1 ATOM 2842 O O . ASP A 1 373 ? 5.725 -12.076 -28.270 1.00 20.81 ? 375 ASP A O 1 ATOM 2843 C CB . ASP A 1 373 ? 8.448 -12.509 -28.461 1.00 20.08 ? 375 ASP A CB 1 ATOM 2844 C CG . ASP A 1 373 ? 8.715 -11.691 -29.723 1.00 27.97 ? 375 ASP A CG 1 ATOM 2845 O OD1 . ASP A 1 373 ? 9.502 -10.723 -29.638 1.00 28.78 ? 375 ASP A OD1 1 ATOM 2846 O OD2 . ASP A 1 373 ? 8.157 -12.018 -30.800 1.00 24.81 ? 375 ASP A OD2 1 ATOM 2847 N N . THR A 1 374 ? 5.220 -13.760 -29.677 1.00 13.70 ? 376 THR A N 1 ATOM 2848 C CA . THR A 1 374 ? 3.804 -13.418 -29.739 1.00 14.62 ? 376 THR A CA 1 ATOM 2849 C C . THR A 1 374 ? 3.075 -13.954 -28.498 1.00 16.52 ? 376 THR A C 1 ATOM 2850 O O . THR A 1 374 ? 3.194 -15.134 -28.172 1.00 14.79 ? 376 THR A O 1 ATOM 2851 C CB . THR A 1 374 ? 3.122 -13.984 -31.011 1.00 13.94 ? 376 THR A CB 1 ATOM 2852 O OG1 . THR A 1 374 ? 3.698 -13.397 -32.187 1.00 13.04 ? 376 THR A OG1 1 ATOM 2853 C CG2 . THR A 1 374 ? 1.630 -13.678 -30.989 1.00 13.48 ? 376 THR A CG2 1 ATOM 2854 N N . VAL A 1 375 ? 2.320 -13.104 -27.805 1.00 19.65 ? 377 VAL A N 1 ATOM 2855 C CA . VAL A 1 375 ? 1.583 -13.569 -26.622 1.00 18.52 ? 377 VAL A CA 1 ATOM 2856 C C . VAL A 1 375 ? 0.068 -13.536 -26.818 1.00 19.12 ? 377 VAL A C 1 ATOM 2857 O O . VAL A 1 375 ? -0.682 -14.135 -26.041 1.00 23.77 ? 377 VAL A O 1 ATOM 2858 C CB . VAL A 1 375 ? 1.933 -12.744 -25.372 1.00 20.04 ? 377 VAL A CB 1 ATOM 2859 C CG1 . VAL A 1 375 ? 3.449 -12.678 -25.197 1.00 17.38 ? 377 VAL A CG1 1 ATOM 2860 C CG2 . VAL A 1 375 ? 1.320 -11.337 -25.461 1.00 17.01 ? 377 VAL A CG2 1 ATOM 2861 N N . CYS A 1 376 ? -0.387 -12.849 -27.858 1.00 13.10 ? 378 CYS A N 1 ATOM 2862 C CA . CYS A 1 376 ? -1.816 -12.775 -28.135 1.00 12.36 ? 378 CYS A CA 1 ATOM 2863 C C . CYS A 1 376 ? -2.072 -12.837 -29.630 1.00 13.50 ? 378 CYS A C 1 ATOM 2864 O O . CYS A 1 376 ? -1.361 -12.207 -30.397 1.00 15.00 ? 378 CYS A O 1 ATOM 2865 C CB . CYS A 1 376 ? -2.418 -11.491 -27.556 1.00 10.14 ? 378 CYS A CB 1 ATOM 2866 S SG . CYS A 1 376 ? -4.202 -11.351 -27.789 1.00 21.67 ? 378 CYS A SG 1 ATOM 2867 N N . VAL A 1 377 ? -3.100 -13.579 -30.030 1.00 15.83 ? 379 VAL A N 1 ATOM 2868 C CA . VAL A 1 377 ? -3.542 -13.632 -31.418 1.00 14.02 ? 379 VAL A CA 1 ATOM 2869 C C . VAL A 1 377 ? -5.038 -13.323 -31.488 1.00 16.57 ? 379 VAL A C 1 ATOM 2870 O O . VAL A 1 377 ? -5.833 -13.937 -30.786 1.00 18.19 ? 379 VAL A O 1 ATOM 2871 C CB . VAL A 1 377 ? -3.252 -15.018 -32.054 1.00 15.94 ? 379 VAL A CB 1 ATOM 2872 C CG1 . VAL A 1 377 ? -4.007 -15.186 -33.362 1.00 13.70 ? 379 VAL A CG1 1 ATOM 2873 C CG2 . VAL A 1 377 ? -1.749 -15.194 -32.277 1.00 16.99 ? 379 VAL A CG2 1 ATOM 2874 N N . SER A 1 378 ? -5.420 -12.369 -32.330 1.00 16.93 ? 380 SER A N 1 ATOM 2875 C CA . SER A 1 378 ? -6.795 -11.895 -32.372 1.00 15.87 ? 380 SER A CA 1 ATOM 2876 C C . SER A 1 378 ? -7.203 -11.542 -33.796 1.00 18.86 ? 380 SER A C 1 ATOM 2877 O O . SER A 1 378 ? -6.355 -11.457 -34.691 1.00 17.83 ? 380 SER A O 1 ATOM 2878 C CB . SER A 1 378 ? -6.969 -10.669 -31.469 1.00 17.54 ? 380 SER A CB 1 ATOM 2879 O OG . SER A 1 378 ? -6.708 -9.469 -32.191 1.00 19.63 ? 380 SER A OG 1 ATOM 2880 N N . GLN A 1 379 ? -8.500 -11.308 -33.995 1.00 17.82 ? 381 GLN A N 1 ATOM 2881 C CA . GLN A 1 379 ? -9.019 -10.874 -35.292 1.00 17.19 ? 381 GLN A CA 1 ATOM 2882 C C . GLN A 1 379 ? -8.489 -9.480 -35.707 1.00 21.68 ? 381 GLN A C 1 ATOM 2883 O O . GLN A 1 379 ? -8.586 -9.108 -36.872 1.00 19.68 ? 381 GLN A O 1 ATOM 2884 C CB . GLN A 1 379 ? -10.550 -10.884 -35.269 1.00 13.65 ? 381 GLN A CB 1 ATOM 2885 C CG . GLN A 1 379 ? -11.236 -10.617 -36.620 1.00 14.02 ? 381 GLN A CG 1 ATOM 2886 C CD . GLN A 1 379 ? -10.820 -11.598 -37.716 1.00 20.53 ? 381 GLN A CD 1 ATOM 2887 O OE1 . GLN A 1 379 ? -11.383 -12.685 -37.828 1.00 19.04 ? 381 GLN A OE1 1 ATOM 2888 N NE2 . GLN A 1 379 ? -9.830 -11.213 -38.531 1.00 17.52 ? 381 GLN A NE2 1 ATOM 2889 N N . SER A 1 380 ? -7.924 -8.720 -34.763 1.00 20.06 ? 382 SER A N 1 ATOM 2890 C CA . SER A 1 380 ? -7.280 -7.438 -35.082 1.00 21.14 ? 382 SER A CA 1 ATOM 2891 C C . SER A 1 380 ? -5.786 -7.603 -35.340 1.00 20.85 ? 382 SER A C 1 ATOM 2892 O O . SER A 1 380 ? -5.113 -6.645 -35.695 1.00 22.17 ? 382 SER A O 1 ATOM 2893 C CB . SER A 1 380 ? -7.457 -6.408 -33.950 1.00 17.36 ? 382 SER A CB 1 ATOM 2894 O OG . SER A 1 380 ? -8.814 -6.120 -33.681 1.00 21.55 ? 382 SER A OG 1 ATOM 2895 N N . GLY A 1 381 ? -5.262 -8.805 -35.126 1.00 23.40 ? 383 GLY A N 1 ATOM 2896 C CA . GLY A 1 381 ? -3.831 -9.025 -35.240 1.00 23.08 ? 383 GLY A CA 1 ATOM 2897 C C . GLY A 1 381 ? -3.208 -9.523 -33.944 1.00 22.82 ? 383 GLY A C 1 ATOM 2898 O O . GLY A 1 381 ? -3.920 -9.903 -33.011 1.00 23.62 ? 383 GLY A O 1 ATOM 2899 N N . TYR A 1 382 ? -1.880 -9.510 -33.875 1.00 17.85 ? 384 TYR A N 1 ATOM 2900 C CA . TYR A 1 382 ? -1.188 -10.102 -32.737 1.00 16.51 ? 384 TYR A CA 1 ATOM 2901 C C . TYR A 1 382 ? -0.265 -9.131 -32.017 1.00 14.65 ? 384 TYR A C 1 ATOM 2902 O O . TYR A 1 382 ? 0.195 -8.141 -32.581 1.00 14.93 ? 384 TYR A O 1 ATOM 2903 C CB . TYR A 1 382 ? -0.396 -11.334 -33.181 1.00 14.83 ? 384 TYR A CB 1 ATOM 2904 C CG . TYR A 1 382 ? 0.614 -11.094 -34.280 1.00 15.97 ? 384 TYR A CG 1 ATOM 2905 C CD1 . TYR A 1 382 ? 1.952 -10.869 -33.981 1.00 14.83 ? 384 TYR A CD1 1 ATOM 2906 C CD2 . TYR A 1 382 ? 0.235 -11.122 -35.615 1.00 17.53 ? 384 TYR A CD2 1 ATOM 2907 C CE1 . TYR A 1 382 ? 2.887 -10.666 -34.983 1.00 19.84 ? 384 TYR A CE1 1 ATOM 2908 C CE2 . TYR A 1 382 ? 1.161 -10.911 -36.630 1.00 18.63 ? 384 TYR A CE2 1 ATOM 2909 C CZ . TYR A 1 382 ? 2.484 -10.687 -36.309 1.00 23.46 ? 384 TYR A CZ 1 ATOM 2910 O OH . TYR A 1 382 ? 3.400 -10.482 -37.316 1.00 23.85 ? 384 TYR A OH 1 ATOM 2911 N N . THR A 1 383 ? 0.000 -9.427 -30.753 1.00 14.98 ? 385 THR A N 1 ATOM 2912 C CA . THR A 1 383 ? 0.792 -8.534 -29.927 1.00 16.85 ? 385 THR A CA 1 ATOM 2913 C C . THR A 1 383 ? 1.893 -9.260 -29.185 1.00 19.02 ? 385 THR A C 1 ATOM 2914 O O . THR A 1 383 ? 1.838 -10.486 -28.985 1.00 17.70 ? 385 THR A O 1 ATOM 2915 C CB . THR A 1 383 ? -0.074 -7.819 -28.887 1.00 15.25 ? 385 THR A CB 1 ATOM 2916 O OG1 . THR A 1 383 ? -0.556 -8.788 -27.951 1.00 17.33 ? 385 THR A OG1 1 ATOM 2917 C CG2 . THR A 1 383 ? -1.270 -7.106 -29.560 1.00 13.25 ? 385 THR A CG2 1 ATOM 2918 N N . LYS A 1 384 ? 2.893 -8.484 -28.776 1.00 20.58 ? 386 LYS A N 1 ATOM 2919 C CA . LYS A 1 384 ? 3.893 -8.937 -27.818 1.00 23.51 ? 386 LYS A CA 1 ATOM 2920 C C . LYS A 1 384 ? 3.435 -8.578 -26.405 1.00 21.81 ? 386 LYS A C 1 ATOM 2921 O O . LYS A 1 384 ? 2.420 -7.897 -26.231 1.00 20.52 ? 386 LYS A O 1 ATOM 2922 C CB . LYS A 1 384 ? 5.256 -8.306 -28.114 1.00 27.10 ? 386 LYS A CB 1 ATOM 2923 C CG . LYS A 1 384 ? 5.779 -8.575 -29.520 1.00 25.43 ? 386 LYS A CG 1 ATOM 2924 C CD . LYS A 1 384 ? 7.194 -8.024 -29.679 1.00 24.32 ? 386 LYS A CD 1 ATOM 2925 C CE . LYS A 1 384 ? 7.698 -8.171 -31.110 1.00 25.23 ? 386 LYS A CE 1 ATOM 2926 N NZ . LYS A 1 384 ? 9.070 -8.755 -31.165 1.00 29.24 ? 386 LYS A NZ 1 ATOM 2927 N N . GLY A 1 385 ? 4.190 -9.018 -25.401 1.00 23.24 ? 387 GLY A N 1 ATOM 2928 C CA . GLY A 1 385 ? 3.828 -8.785 -24.015 1.00 20.16 ? 387 GLY A CA 1 ATOM 2929 C C . GLY A 1 385 ? 4.496 -7.566 -23.407 1.00 26.15 ? 387 GLY A C 1 ATOM 2930 O O . GLY A 1 385 ? 5.154 -7.662 -22.374 1.00 25.51 ? 387 GLY A O 1 ATOM 2931 N N . GLU A 1 386 ? 4.328 -6.411 -24.041 1.00 28.82 ? 388 GLU A N 1 ATOM 2932 C CA . GLU A 1 386 ? 4.908 -5.175 -23.517 1.00 31.06 ? 388 GLU A CA 1 ATOM 2933 C C . GLU A 1 386 ? 4.121 -4.627 -22.334 1.00 26.14 ? 388 GLU A C 1 ATOM 2934 O O . GLU A 1 386 ? 4.633 -4.540 -21.225 1.00 28.33 ? 388 GLU A O 1 ATOM 2935 C CB . GLU A 1 386 ? 4.993 -4.117 -24.612 1.00 30.96 ? 388 GLU A CB 1 ATOM 2936 C CG . GLU A 1 386 ? 6.248 -4.219 -25.443 1.00 41.93 ? 388 GLU A CG 1 ATOM 2937 C CD . GLU A 1 386 ? 6.157 -3.439 -26.737 1.00 53.06 ? 388 GLU A CD 1 ATOM 2938 O OE1 . GLU A 1 386 ? 5.824 -2.229 -26.678 1.00 51.89 ? 388 GLU A OE1 1 ATOM 2939 O OE2 . GLU A 1 386 ? 6.426 -4.038 -27.805 1.00 48.84 ? 388 GLU A OE2 1 ATOM 2940 N N . THR A 1 387 ? 2.876 -4.244 -22.587 1.00 18.07 ? 389 THR A N 1 ATOM 2941 C CA . THR A 1 387 ? 2.012 -3.702 -21.552 1.00 17.89 ? 389 THR A CA 1 ATOM 2942 C C . THR A 1 387 ? 0.693 -4.463 -21.553 1.00 18.17 ? 389 THR A C 1 ATOM 2943 O O . THR A 1 387 ? 0.416 -5.215 -22.491 1.00 15.56 ? 389 THR A O 1 ATOM 2944 C CB . THR A 1 387 ? 1.725 -2.209 -21.777 1.00 18.85 ? 389 THR A CB 1 ATOM 2945 O OG1 . THR A 1 387 ? 0.649 -2.079 -22.713 1.00 15.71 ? 389 THR A OG1 1 ATOM 2946 C CG2 . THR A 1 387 ? 2.972 -1.482 -22.294 1.00 15.98 ? 389 THR A CG2 1 ATOM 2947 N N . PRO A 1 388 ? -0.127 -4.274 -20.505 1.00 18.67 ? 390 PRO A N 1 ATOM 2948 C CA . PRO A 1 388 ? -1.470 -4.862 -20.527 1.00 17.23 ? 390 PRO A CA 1 ATOM 2949 C C . PRO A 1 388 ? -2.467 -4.075 -21.375 1.00 14.72 ? 390 PRO A C 1 ATOM 2950 O O . PRO A 1 388 ? -3.631 -4.461 -21.408 1.00 14.55 ? 390 PRO A O 1 ATOM 2951 C CB . PRO A 1 388 ? -1.891 -4.831 -19.049 1.00 19.15 ? 390 PRO A CB 1 ATOM 2952 C CG . PRO A 1 388 ? -0.621 -4.576 -18.272 1.00 17.65 ? 390 PRO A CG 1 ATOM 2953 C CD . PRO A 1 388 ? 0.207 -3.741 -19.173 1.00 19.16 ? 390 PRO A CD 1 ATOM 2954 N N . PHE A 1 389 ? -2.031 -3.015 -22.055 1.00 14.34 ? 391 PHE A N 1 ATOM 2955 C CA . PHE A 1 389 ? -2.976 -2.118 -22.727 1.00 15.66 ? 391 PHE A CA 1 ATOM 2956 C C . PHE A 1 389 ? -2.792 -1.976 -24.250 1.00 17.54 ? 391 PHE A C 1 ATOM 2957 O O . PHE A 1 389 ? -1.679 -2.085 -24.779 1.00 19.47 ? 391 PHE A O 1 ATOM 2958 C CB . PHE A 1 389 ? -2.906 -0.719 -22.099 1.00 17.33 ? 391 PHE A CB 1 ATOM 2959 C CG . PHE A 1 389 ? -3.304 -0.671 -20.646 1.00 17.53 ? 391 PHE A CG 1 ATOM 2960 C CD1 . PHE A 1 389 ? -4.561 -1.098 -20.238 1.00 17.81 ? 391 PHE A CD1 1 ATOM 2961 C CD2 . PHE A 1 389 ? -2.435 -0.154 -19.694 1.00 18.51 ? 391 PHE A CD2 1 ATOM 2962 C CE1 . PHE A 1 389 ? -4.937 -1.029 -18.903 1.00 16.64 ? 391 PHE A CE1 1 ATOM 2963 C CE2 . PHE A 1 389 ? -2.802 -0.078 -18.353 1.00 20.25 ? 391 PHE A CE2 1 ATOM 2964 C CZ . PHE A 1 389 ? -4.053 -0.514 -17.957 1.00 17.85 ? 391 PHE A CZ 1 ATOM 2965 N N . VAL A 1 390 ? -3.905 -1.729 -24.939 1.00 15.71 ? 392 VAL A N 1 ATOM 2966 C CA . VAL A 1 390 ? -3.912 -1.353 -26.358 1.00 17.50 ? 392 VAL A CA 1 ATOM 2967 C C . VAL A 1 390 ? -4.827 -0.161 -26.597 1.00 18.75 ? 392 VAL A C 1 ATOM 2968 O O . VAL A 1 390 ? -5.793 0.052 -25.851 1.00 17.71 ? 392 VAL A O 1 ATOM 2969 C CB . VAL A 1 390 ? -4.375 -2.501 -27.265 1.00 16.17 ? 392 VAL A CB 1 ATOM 2970 C CG1 . VAL A 1 390 ? -3.214 -3.411 -27.602 1.00 15.06 ? 392 VAL A CG1 1 ATOM 2971 C CG2 . VAL A 1 390 ? -5.519 -3.268 -26.584 1.00 16.38 ? 392 VAL A CG2 1 ATOM 2972 N N . LYS A 1 391 ? -4.535 0.601 -27.647 1.00 21.19 ? 393 LYS A N 1 ATOM 2973 C CA . LYS A 1 391 ? -5.273 1.829 -27.929 1.00 21.73 ? 393 LYS A CA 1 ATOM 2974 C C . LYS A 1 391 ? -6.686 1.533 -28.412 1.00 20.54 ? 393 LYS A C 1 ATOM 2975 O O . LYS A 1 391 ? -7.640 2.208 -28.033 1.00 24.04 ? 393 LYS A O 1 ATOM 2976 C CB . LYS A 1 391 ? -4.537 2.685 -28.964 1.00 23.63 ? 393 LYS A CB 1 ATOM 2977 C CG . LYS A 1 391 ? -5.159 4.050 -29.129 1.00 25.50 ? 393 LYS A CG 1 ATOM 2978 C CD . LYS A 1 391 ? -4.358 4.953 -30.025 1.00 30.09 ? 393 LYS A CD 1 ATOM 2979 C CE . LYS A 1 391 ? -4.936 6.371 -29.966 1.00 31.13 ? 393 LYS A CE 1 ATOM 2980 N NZ . LYS A 1 391 ? -4.104 7.344 -30.727 1.00 34.92 ? 393 LYS A NZ 1 ATOM 2981 N N . ASP A 1 392 ? -6.812 0.521 -29.257 1.00 24.44 ? 394 ASP A N 1 ATOM 2982 C CA . ASP A 1 392 ? -8.124 0.040 -29.670 1.00 23.92 ? 394 ASP A CA 1 ATOM 2983 C C . ASP A 1 392 ? -8.340 -1.403 -29.237 1.00 22.88 ? 394 ASP A C 1 ATOM 2984 O O . ASP A 1 392 ? -7.386 -2.136 -28.968 1.00 19.95 ? 394 ASP A O 1 ATOM 2985 C CB . ASP A 1 392 ? -8.291 0.157 -31.182 1.00 24.91 ? 394 ASP A CB 1 ATOM 2986 C CG . ASP A 1 392 ? -8.691 1.557 -31.615 1.00 35.27 ? 394 ASP A CG 1 ATOM 2987 O OD1 . ASP A 1 392 ? -9.903 1.862 -31.543 1.00 38.17 ? 394 ASP A OD1 1 ATOM 2988 O OD2 . ASP A 1 392 ? -7.805 2.346 -32.021 1.00 31.04 ? 394 ASP A OD2 1 ATOM 2989 N N . TYR A 1 393 ? -9.605 -1.794 -29.172 1.00 17.59 ? 395 TYR A N 1 ATOM 2990 C CA . TYR A 1 393 ? -9.981 -3.166 -28.879 1.00 19.32 ? 395 TYR A CA 1 ATOM 2991 C C . TYR A 1 393 ? -9.254 -4.158 -29.765 1.00 16.24 ? 395 TYR A C 1 ATOM 2992 O O . TYR A 1 393 ? -8.959 -3.878 -30.926 1.00 16.42 ? 395 TYR A O 1 ATOM 2993 C CB . TYR A 1 393 ? -11.488 -3.369 -29.063 1.00 18.12 ? 395 TYR A CB 1 ATOM 2994 C CG . TYR A 1 393 ? -12.346 -2.567 -28.124 1.00 24.28 ? 395 TYR A CG 1 ATOM 2995 C CD1 . TYR A 1 393 ? -13.081 -1.480 -28.579 1.00 23.14 ? 395 TYR A CD1 1 ATOM 2996 C CD2 . TYR A 1 393 ? -12.428 -2.902 -26.781 1.00 20.35 ? 395 TYR A CD2 1 ATOM 2997 C CE1 . TYR A 1 393 ? -13.880 -0.751 -27.721 1.00 25.34 ? 395 TYR A CE1 1 ATOM 2998 C CE2 . TYR A 1 393 ? -13.217 -2.186 -25.918 1.00 22.86 ? 395 TYR A CE2 1 ATOM 2999 C CZ . TYR A 1 393 ? -13.942 -1.109 -26.387 1.00 28.37 ? 395 TYR A CZ 1 ATOM 3000 O OH . TYR A 1 393 ? -14.728 -0.394 -25.512 1.00 23.88 ? 395 TYR A OH 1 ATOM 3001 N N . LEU A 1 394 ? -8.965 -5.316 -29.195 1.00 18.34 ? 396 LEU A N 1 ATOM 3002 C CA . LEU A 1 394 ? -8.612 -6.485 -29.970 1.00 17.05 ? 396 LEU A CA 1 ATOM 3003 C C . LEU A 1 394 ? -9.900 -7.246 -30.229 1.00 18.45 ? 396 LEU A C 1 ATOM 3004 O O . LEU A 1 394 ? -10.506 -7.779 -29.300 1.00 21.62 ? 396 LEU A O 1 ATOM 3005 C CB . LEU A 1 394 ? -7.596 -7.350 -29.226 1.00 19.51 ? 396 LEU A CB 1 ATOM 3006 C CG . LEU A 1 394 ? -6.256 -6.687 -28.929 1.00 21.07 ? 396 LEU A CG 1 ATOM 3007 C CD1 . LEU A 1 394 ? -5.552 -7.446 -27.845 1.00 18.22 ? 396 LEU A CD1 1 ATOM 3008 C CD2 . LEU A 1 394 ? -5.402 -6.662 -30.198 1.00 17.96 ? 396 LEU A CD2 1 ATOM 3009 N N . SER A 1 395 ? -10.331 -7.271 -31.486 1.00 18.39 ? 397 SER A N 1 ATOM 3010 C CA . SER A 1 395 ? -11.559 -7.964 -31.854 1.00 17.69 ? 397 SER A CA 1 ATOM 3011 C C . SER A 1 395 ? -11.429 -9.457 -31.637 1.00 16.44 ? 397 SER A C 1 ATOM 3012 O O . SER A 1 395 ? -10.426 -10.050 -32.005 1.00 15.95 ? 397 SER A O 1 ATOM 3013 C CB . SER A 1 395 ? -11.915 -7.699 -33.312 1.00 15.10 ? 397 SER A CB 1 ATOM 3014 O OG . SER A 1 395 ? -11.874 -6.315 -33.579 1.00 24.27 ? 397 SER A OG 1 ATOM 3015 N N . PRO A 1 396 ? -12.450 -10.067 -31.037 1.00 17.27 ? 398 PRO A N 1 ATOM 3016 C CA . PRO A 1 396 ? -12.503 -11.525 -30.978 1.00 18.32 ? 398 PRO A CA 1 ATOM 3017 C C . PRO A 1 396 ? -12.773 -12.091 -32.378 1.00 18.17 ? 398 PRO A C 1 ATOM 3018 O O . PRO A 1 396 ? -13.191 -11.337 -33.244 1.00 15.68 ? 398 PRO A O 1 ATOM 3019 C CB . PRO A 1 396 ? -13.667 -11.788 -30.023 1.00 17.13 ? 398 PRO A CB 1 ATOM 3020 C CG . PRO A 1 396 ? -14.583 -10.615 -30.259 1.00 19.45 ? 398 PRO A CG 1 ATOM 3021 C CD . PRO A 1 396 ? -13.654 -9.445 -30.458 1.00 18.31 ? 398 PRO A CD 1 ATOM 3022 N N . PRO A 1 397 ? -12.536 -13.394 -32.601 1.00 17.38 ? 399 PRO A N 1 ATOM 3023 C CA . PRO A 1 397 ? -11.967 -14.346 -31.645 1.00 14.26 ? 399 PRO A CA 1 ATOM 3024 C C . PRO A 1 397 ? -10.526 -13.998 -31.287 1.00 13.68 ? 399 PRO A C 1 ATOM 3025 O O . PRO A 1 397 ? -9.856 -13.277 -32.025 1.00 12.47 ? 399 PRO A O 1 ATOM 3026 C CB . PRO A 1 397 ? -12.059 -15.683 -32.385 1.00 17.02 ? 399 PRO A CB 1 ATOM 3027 C CG . PRO A 1 397 ? -13.179 -15.479 -33.381 1.00 18.14 ? 399 PRO A CG 1 ATOM 3028 C CD . PRO A 1 397 ? -12.998 -14.065 -33.829 1.00 17.94 ? 399 PRO A CD 1 ATOM 3029 N N . LYS A 1 398 ? -10.085 -14.462 -30.128 1.00 16.72 ? 400 LYS A N 1 ATOM 3030 C CA . LYS A 1 398 ? -8.751 -14.164 -29.645 1.00 18.55 ? 400 LYS A CA 1 ATOM 3031 C C . LYS A 1 398 ? -8.404 -15.089 -28.507 1.00 20.26 ? 400 LYS A C 1 ATOM 3032 O O . LYS A 1 398 ? -9.296 -15.671 -27.876 1.00 16.68 ? 400 LYS A O 1 ATOM 3033 C CB . LYS A 1 398 ? -8.628 -12.703 -29.193 1.00 19.80 ? 400 LYS A CB 1 ATOM 3034 C CG . LYS A 1 398 ? -9.653 -12.238 -28.171 1.00 23.41 ? 400 LYS A CG 1 ATOM 3035 C CD . LYS A 1 398 ? -9.430 -10.766 -27.829 1.00 21.52 ? 400 LYS A CD 1 ATOM 3036 C CE . LYS A 1 398 ? -10.508 -10.222 -26.910 1.00 21.51 ? 400 LYS A CE 1 ATOM 3037 N NZ . LYS A 1 398 ? -10.311 -8.764 -26.662 1.00 19.08 ? 400 LYS A NZ 1 ATOM 3038 N N . TYR A 1 399 ? -7.107 -15.228 -28.252 1.00 14.52 ? 401 TYR A N 1 ATOM 3039 C CA . TYR A 1 399 ? -6.641 -16.065 -27.156 1.00 14.25 ? 401 TYR A CA 1 ATOM 3040 C C . TYR A 1 399 ? -5.233 -15.669 -26.745 1.00 14.44 ? 401 TYR A C 1 ATOM 3041 O O . TYR A 1 399 ? -4.507 -15.032 -27.516 1.00 14.46 ? 401 TYR A O 1 ATOM 3042 C CB . TYR A 1 399 ? -6.699 -17.553 -27.553 1.00 14.97 ? 401 TYR A CB 1 ATOM 3043 C CG . TYR A 1 399 ? -5.841 -17.912 -28.741 1.00 14.44 ? 401 TYR A CG 1 ATOM 3044 C CD1 . TYR A 1 399 ? -6.286 -17.687 -30.045 1.00 18.16 ? 401 TYR A CD1 1 ATOM 3045 C CD2 . TYR A 1 399 ? -4.587 -18.475 -28.566 1.00 14.89 ? 401 TYR A CD2 1 ATOM 3046 C CE1 . TYR A 1 399 ? -5.505 -18.018 -31.137 1.00 13.53 ? 401 TYR A CE1 1 ATOM 3047 C CE2 . TYR A 1 399 ? -3.793 -18.804 -29.648 1.00 16.02 ? 401 TYR A CE2 1 ATOM 3048 C CZ . TYR A 1 399 ? -4.254 -18.577 -30.927 1.00 18.09 ? 401 TYR A CZ 1 ATOM 3049 O OH . TYR A 1 399 ? -3.451 -18.901 -31.997 1.00 15.69 ? 401 TYR A OH 1 ATOM 3050 N N . GLY A 1 400 ? -4.847 -16.044 -25.530 1.00 16.70 ? 402 GLY A N 1 ATOM 3051 C CA . GLY A 1 400 ? -3.514 -15.757 -25.028 1.00 13.08 ? 402 GLY A CA 1 ATOM 3052 C C . GLY A 1 400 ? -3.522 -14.622 -24.014 1.00 18.48 ? 402 GLY A C 1 ATOM 3053 O O . GLY A 1 400 ? -4.550 -14.328 -23.397 1.00 17.20 ? 402 GLY A O 1 ATOM 3054 N N . ARG A 1 401 ? -2.371 -13.988 -23.830 1.00 16.39 ? 403 ARG A N 1 ATOM 3055 C CA . ARG A 1 401 ? -2.260 -12.881 -22.888 1.00 19.47 ? 403 ARG A CA 1 ATOM 3056 C C . ARG A 1 401 ? -2.671 -11.604 -23.601 1.00 16.21 ? 403 ARG A C 1 ATOM 3057 O O . ARG A 1 401 ? -1.840 -10.891 -24.136 1.00 18.12 ? 403 ARG A O 1 ATOM 3058 C CB . ARG A 1 401 ? -0.835 -12.773 -22.332 1.00 18.03 ? 403 ARG A CB 1 ATOM 3059 C CG . ARG A 1 401 ? -0.348 -14.048 -21.665 1.00 17.74 ? 403 ARG A CG 1 ATOM 3060 C CD . ARG A 1 401 ? 1.127 -14.011 -21.332 1.00 14.94 ? 403 ARG A CD 1 ATOM 3061 N NE . ARG A 1 401 ? 1.438 -13.059 -20.270 1.00 19.38 ? 403 ARG A NE 1 ATOM 3062 C CZ . ARG A 1 401 ? 1.325 -13.320 -18.969 1.00 20.54 ? 403 ARG A CZ 1 ATOM 3063 N NH1 . ARG A 1 401 ? 0.895 -14.507 -18.558 1.00 14.80 ? 403 ARG A NH1 1 ATOM 3064 N NH2 . ARG A 1 401 ? 1.636 -12.388 -18.075 1.00 20.54 ? 403 ARG A NH2 1 ATOM 3065 N N . CYS A 1 402 ? -3.966 -11.323 -23.600 1.00 18.04 ? 404 CYS A N 1 ATOM 3066 C CA . CYS A 1 402 ? -4.516 -10.313 -24.497 1.00 21.15 ? 404 CYS A CA 1 ATOM 3067 C C . CYS A 1 402 ? -4.780 -8.975 -23.802 1.00 19.05 ? 404 CYS A C 1 ATOM 3068 O O . CYS A 1 402 ? -5.327 -8.925 -22.699 1.00 16.99 ? 404 CYS A O 1 ATOM 3069 C CB . CYS A 1 402 ? -5.794 -10.858 -25.152 1.00 20.53 ? 404 CYS A CB 1 ATOM 3070 S SG . CYS A 1 402 ? -5.443 -12.179 -26.359 1.00 28.89 ? 404 CYS A SG 1 ATOM 3071 N N . GLN A 1 403 ? -4.374 -7.895 -24.464 1.00 13.48 ? 405 GLN A N 1 ATOM 3072 C CA . GLN A 1 403 ? -4.428 -6.560 -23.874 1.00 15.63 ? 405 GLN A CA 1 ATOM 3073 C C . GLN A 1 403 ? -5.824 -5.976 -23.847 1.00 16.33 ? 405 GLN A C 1 ATOM 3074 O O . GLN A 1 403 ? -6.694 -6.353 -24.637 1.00 15.84 ? 405 GLN A O 1 ATOM 3075 C CB . GLN A 1 403 ? -3.500 -5.604 -24.616 1.00 12.73 ? 405 GLN A CB 1 ATOM 3076 C CG . GLN A 1 403 ? -2.038 -5.844 -24.302 1.00 14.85 ? 405 GLN A CG 1 ATOM 3077 C CD . GLN A 1 403 ? -1.387 -6.875 -25.220 1.00 16.15 ? 405 GLN A CD 1 ATOM 3078 O OE1 . GLN A 1 403 ? -2.059 -7.602 -25.953 1.00 14.66 ? 405 GLN A OE1 1 ATOM 3079 N NE2 . GLN A 1 403 ? -0.067 -6.937 -25.176 1.00 19.63 ? 405 GLN A NE2 1 ATOM 3080 N N . LEU A 1 404 ? -6.015 -5.041 -22.923 1.00 14.19 ? 406 LEU A N 1 ATOM 3081 C CA . LEU A 1 404 ? -7.295 -4.377 -22.731 1.00 15.51 ? 406 LEU A CA 1 ATOM 3082 C C . LEU A 1 404 ? -7.237 -2.951 -23.251 1.00 15.69 ? 406 LEU A C 1 ATOM 3083 O O . LEU A 1 404 ? -6.201 -2.293 -23.174 1.00 12.47 ? 406 LEU A O 1 ATOM 3084 C CB . LEU A 1 404 ? -7.685 -4.392 -21.242 1.00 15.41 ? 406 LEU A CB 1 ATOM 3085 C CG . LEU A 1 404 ? -7.849 -5.803 -20.656 1.00 21.98 ? 406 LEU A CG 1 ATOM 3086 C CD1 . LEU A 1 404 ? -7.957 -5.783 -19.127 1.00 14.42 ? 406 LEU A CD1 1 ATOM 3087 C CD2 . LEU A 1 404 ? -9.062 -6.503 -21.282 1.00 15.12 ? 406 LEU A CD2 1 ATOM 3088 N N . LYS A 1 405 ? -8.353 -2.467 -23.781 1.00 20.10 ? 407 LYS A N 1 ATOM 3089 C CA . LYS A 1 405 ? -8.427 -1.082 -24.208 1.00 18.07 ? 407 LYS A CA 1 ATOM 3090 C C . LYS A 1 405 ? -8.802 -0.124 -23.074 1.00 18.39 ? 407 LYS A C 1 ATOM 3091 O O . LYS A 1 405 ? -9.820 -0.290 -22.406 1.00 22.21 ? 407 LYS A O 1 ATOM 3092 C CB . LYS A 1 405 ? -9.430 -0.918 -25.342 1.00 15.77 ? 407 LYS A CB 1 ATOM 3093 C CG . LYS A 1 405 ? -9.479 0.524 -25.836 1.00 18.60 ? 407 LYS A CG 1 ATOM 3094 C CD . LYS A 1 405 ? -10.740 0.826 -26.614 1.00 24.76 ? 407 LYS A CD 1 ATOM 3095 C CE . LYS A 1 405 ? -10.861 2.313 -26.891 1.00 23.80 ? 407 LYS A CE 1 ATOM 3096 N NZ . LYS A 1 405 ? -11.975 2.564 -27.837 1.00 27.41 ? 407 LYS A NZ 1 ATOM 3097 N N . THR A 1 406 ? -7.981 0.895 -22.882 1.00 18.89 ? 408 THR A N 1 ATOM 3098 C CA . THR A 1 406 ? -8.301 1.976 -21.966 1.00 23.52 ? 408 THR A CA 1 ATOM 3099 C C . THR A 1 406 ? -7.963 3.304 -22.657 1.00 22.48 ? 408 THR A C 1 ATOM 3100 O O . THR A 1 406 ? -7.112 3.331 -23.541 1.00 21.02 ? 408 THR A O 1 ATOM 3101 C CB . THR A 1 406 ? -7.529 1.835 -20.634 1.00 20.26 ? 408 THR A CB 1 ATOM 3102 O OG1 . THR A 1 406 ? -8.044 2.765 -19.682 1.00 22.28 ? 408 THR A OG1 1 ATOM 3103 C CG2 . THR A 1 406 ? -6.040 2.094 -20.831 1.00 19.43 ? 408 THR A CG2 1 ATOM 3104 N N . ASP A 1 407 ? -8.638 4.391 -22.288 1.00 27.33 ? 409 ASP A N 1 ATOM 3105 C CA . ASP A 1 407 ? -8.277 5.694 -22.840 1.00 27.99 ? 409 ASP A CA 1 ATOM 3106 C C . ASP A 1 407 ? -6.939 6.105 -22.247 1.00 29.88 ? 409 ASP A C 1 ATOM 3107 O O . ASP A 1 407 ? -6.638 5.786 -21.093 1.00 30.14 ? 409 ASP A O 1 ATOM 3108 C CB . ASP A 1 407 ? -9.335 6.773 -22.556 1.00 28.19 ? 409 ASP A CB 1 ATOM 3109 C CG . ASP A 1 407 ? -8.939 8.153 -23.139 1.00 47.04 ? 409 ASP A CG 1 ATOM 3110 O OD1 . ASP A 1 407 ? -9.141 8.384 -24.360 1.00 50.80 ? 409 ASP A OD1 1 ATOM 3111 O OD2 . ASP A 1 407 ? -8.398 9.003 -22.387 1.00 37.13 ? 409 ASP A OD2 1 ATOM 3112 N N . SER A 1 408 ? -6.136 6.805 -23.039 1.00 19.65 ? 410 SER A N 1 ATOM 3113 C CA . SER A 1 408 ? -4.824 7.252 -22.596 1.00 21.92 ? 410 SER A CA 1 ATOM 3114 C C . SER A 1 408 ? -4.947 8.166 -21.380 1.00 21.93 ? 410 SER A C 1 ATOM 3115 O O . SER A 1 408 ? -4.068 8.203 -20.522 1.00 18.50 ? 410 SER A O 1 ATOM 3116 C CB . SER A 1 408 ? -4.096 7.968 -23.736 1.00 25.27 ? 410 SER A CB 1 ATOM 3117 O OG . SER A 1 408 ? -3.132 8.876 -23.228 1.00 35.86 ? 410 SER A OG 1 ATOM 3118 N N . GLY A 1 409 ? -6.057 8.891 -21.308 1.00 26.35 ? 411 GLY A N 1 ATOM 3119 C CA . GLY A 1 409 ? -6.303 9.789 -20.200 1.00 23.71 ? 411 GLY A CA 1 ATOM 3120 C C . GLY A 1 409 ? -6.409 9.085 -18.860 1.00 20.97 ? 411 GLY A C 1 ATOM 3121 O O . GLY A 1 409 ? -6.115 9.681 -17.831 1.00 23.19 ? 411 GLY A O 1 ATOM 3122 N N . ARG A 1 410 ? -6.820 7.821 -18.863 1.00 22.08 ? 412 ARG A N 1 ATOM 3123 C CA . ARG A 1 410 ? -6.999 7.092 -17.612 1.00 27.23 ? 412 ARG A CA 1 ATOM 3124 C C . ARG A 1 410 ? -5.698 6.488 -17.094 1.00 25.20 ? 412 ARG A C 1 ATOM 3125 O O . ARG A 1 410 ? -5.638 6.039 -15.957 1.00 26.19 ? 412 ARG A O 1 ATOM 3126 C CB . ARG A 1 410 ? -8.053 5.989 -17.768 1.00 27.16 ? 412 ARG A CB 1 ATOM 3127 C CG . ARG A 1 410 ? -9.496 6.501 -17.775 1.00 34.15 ? 412 ARG A CG 1 ATOM 3128 C CD . ARG A 1 410 ? -9.770 7.394 -16.577 1.00 41.79 ? 412 ARG A CD 1 ATOM 3129 N NE . ARG A 1 410 ? -11.105 7.192 -16.020 1.00 64.33 ? 412 ARG A NE 1 ATOM 3130 C CZ . ARG A 1 410 ? -11.367 6.445 -14.947 1.00 68.88 ? 412 ARG A CZ 1 ATOM 3131 N NH1 . ARG A 1 410 ? -10.380 5.825 -14.305 1.00 50.14 ? 412 ARG A NH1 1 ATOM 3132 N NH2 . ARG A 1 410 ? -12.617 6.320 -14.511 1.00 69.47 ? 412 ARG A NH2 1 ATOM 3133 N N . ILE A 1 411 ? -4.663 6.472 -17.926 1.00 21.85 ? 413 ILE A N 1 ATOM 3134 C CA . ILE A 1 411 ? -3.365 5.967 -17.498 1.00 21.38 ? 413 ILE A CA 1 ATOM 3135 C C . ILE A 1 411 ? -2.684 6.973 -16.573 1.00 23.10 ? 413 ILE A C 1 ATOM 3136 O O . ILE A 1 411 ? -2.337 8.076 -16.991 1.00 29.06 ? 413 ILE A O 1 ATOM 3137 C CB . ILE A 1 411 ? -2.445 5.656 -18.697 1.00 22.94 ? 413 ILE A CB 1 ATOM 3138 C CG1 . ILE A 1 411 ? -3.049 4.539 -19.556 1.00 24.47 ? 413 ILE A CG1 1 ATOM 3139 C CG2 . ILE A 1 411 ? -1.062 5.242 -18.210 1.00 19.89 ? 413 ILE A CG2 1 ATOM 3140 C CD1 . ILE A 1 411 ? -2.273 4.237 -20.829 1.00 21.28 ? 413 ILE A CD1 1 ATOM 3141 N N . PRO A 1 412 ? -2.495 6.597 -15.301 1.00 23.80 ? 414 PRO A N 1 ATOM 3142 C CA . PRO A 1 412 ? -1.944 7.542 -14.317 1.00 22.27 ? 414 PRO A CA 1 ATOM 3143 C C . PRO A 1 412 ? -0.470 7.891 -14.573 1.00 25.17 ? 414 PRO A C 1 ATOM 3144 O O . PRO A 1 412 ? 0.230 7.186 -15.317 1.00 23.86 ? 414 PRO A O 1 ATOM 3145 C CB . PRO A 1 412 ? -2.111 6.804 -12.986 1.00 18.73 ? 414 PRO A CB 1 ATOM 3146 C CG . PRO A 1 412 ? -3.077 5.673 -13.263 1.00 24.37 ? 414 PRO A CG 1 ATOM 3147 C CD . PRO A 1 412 ? -2.862 5.308 -14.695 1.00 20.62 ? 414 PRO A CD 1 ATOM 3148 N N . THR A 1 413 ? -0.009 8.975 -13.955 1.00 20.58 ? 415 THR A N 1 ATOM 3149 C CA . THR A 1 413 ? 1.333 9.500 -14.205 1.00 26.07 ? 415 THR A CA 1 ATOM 3150 C C . THR A 1 413 ? 2.224 9.420 -12.972 1.00 23.84 ? 415 THR A C 1 ATOM 3151 O O . THR A 1 413 ? 1.758 9.085 -11.893 1.00 24.64 ? 415 THR A O 1 ATOM 3152 C CB . THR A 1 413 ? 1.275 10.967 -14.675 1.00 27.72 ? 415 THR A CB 1 ATOM 3153 O OG1 . THR A 1 413 ? 0.638 11.766 -13.668 1.00 23.51 ? 415 THR A OG1 1 ATOM 3154 C CG2 . THR A 1 413 ? 0.490 11.081 -15.978 1.00 19.35 ? 415 THR A CG2 1 ATOM 3155 N N . LEU A 1 414 ? 3.508 9.719 -13.136 1.00 24.39 ? 416 LEU A N 1 ATOM 3156 C CA . LEU A 1 414 ? 4.419 9.827 -11.997 1.00 23.46 ? 416 LEU A CA 1 ATOM 3157 C C . LEU A 1 414 ? 5.187 11.146 -12.073 1.00 27.21 ? 416 LEU A C 1 ATOM 3158 O O . LEU A 1 414 ? 5.393 11.696 -13.163 1.00 23.89 ? 416 LEU A O 1 ATOM 3159 C CB . LEU A 1 414 ? 5.393 8.647 -11.946 1.00 21.09 ? 416 LEU A CB 1 ATOM 3160 C CG . LEU A 1 414 ? 4.851 7.246 -11.631 1.00 24.17 ? 416 LEU A CG 1 ATOM 3161 C CD1 . LEU A 1 414 ? 5.979 6.201 -11.662 1.00 19.65 ? 416 LEU A CD1 1 ATOM 3162 C CD2 . LEU A 1 414 ? 4.122 7.220 -10.291 1.00 21.33 ? 416 LEU A CD2 1 ATOM 3163 N N . PRO A 1 415 ? 5.603 11.670 -10.912 1.00 25.21 ? 417 PRO A N 1 ATOM 3164 C CA . PRO A 1 415 ? 6.346 12.928 -10.944 1.00 26.03 ? 417 PRO A CA 1 ATOM 3165 C C . PRO A 1 415 ? 7.739 12.733 -11.514 1.00 28.66 ? 417 PRO A C 1 ATOM 3166 O O . PRO A 1 415 ? 8.374 11.714 -11.243 1.00 28.87 ? 417 PRO A O 1 ATOM 3167 C CB . PRO A 1 415 ? 6.397 13.343 -9.472 1.00 26.47 ? 417 PRO A CB 1 ATOM 3168 C CG . PRO A 1 415 ? 6.300 12.063 -8.717 1.00 27.45 ? 417 PRO A CG 1 ATOM 3169 C CD . PRO A 1 415 ? 5.380 11.195 -9.534 1.00 30.35 ? 417 PRO A CD 1 ATOM 3170 N N . SER A 1 416 ? 8.188 13.693 -12.315 1.00 27.95 ? 418 SER A N 1 ATOM 3171 C CA . SER A 1 416 ? 9.555 13.719 -12.813 1.00 31.10 ? 418 SER A CA 1 ATOM 3172 C C . SER A 1 416 ? 10.102 15.139 -12.718 1.00 27.25 ? 418 SER A C 1 ATOM 3173 O O . SER A 1 416 ? 9.386 16.063 -12.329 1.00 30.12 ? 418 SER A O 1 ATOM 3174 C CB . SER A 1 416 ? 9.618 13.216 -14.256 1.00 34.00 ? 418 SER A CB 1 ATOM 3175 O OG . SER A 1 416 ? 8.566 13.773 -15.024 1.00 33.30 ? 418 SER A OG 1 ATOM 3176 N N . GLY A 1 417 ? 11.364 15.309 -13.092 1.00 27.52 ? 419 GLY A N 1 ATOM 3177 C CA . GLY A 1 417 ? 12.028 16.591 -12.974 1.00 23.91 ? 419 GLY A CA 1 ATOM 3178 C C . GLY A 1 417 ? 12.337 16.901 -11.519 1.00 26.09 ? 419 GLY A C 1 ATOM 3179 O O . GLY A 1 417 ? 12.412 15.992 -10.688 1.00 26.10 ? 419 GLY A O 1 ATOM 3180 N N . LEU A 1 418 ? 12.522 18.182 -11.218 1.00 19.73 ? 420 LEU A N 1 ATOM 3181 C CA . LEU A 1 418 ? 12.785 18.633 -9.857 1.00 24.75 ? 420 LEU A CA 1 ATOM 3182 C C . LEU A 1 418 ? 11.594 18.290 -8.982 1.00 24.03 ? 420 LEU A C 1 ATOM 3183 O O . LEU A 1 418 ? 10.462 18.655 -9.293 1.00 25.53 ? 420 LEU A O 1 ATOM 3184 C CB . LEU A 1 418 ? 13.060 20.144 -9.815 1.00 19.37 ? 420 LEU A CB 1 ATOM 3185 C CG . LEU A 1 418 ? 13.119 20.804 -8.438 1.00 25.86 ? 420 LEU A CG 1 ATOM 3186 C CD1 . LEU A 1 418 ? 14.240 20.211 -7.598 1.00 20.77 ? 420 LEU A CD1 1 ATOM 3187 C CD2 . LEU A 1 418 ? 13.261 22.319 -8.555 1.00 32.18 ? 420 LEU A CD2 1 ATOM 3188 N N . ILE A 1 419 ? 11.866 17.618 -7.871 1.00 27.24 ? 421 ILE A N 1 ATOM 3189 C CA . ILE A 1 419 ? 10.820 17.036 -7.043 1.00 29.74 ? 421 ILE A CA 1 ATOM 3190 C C . ILE A 1 419 ? 10.996 17.437 -5.575 1.00 24.08 ? 421 ILE A C 1 ATOM 3191 O O . ILE A 1 419 ? 12.112 17.467 -5.069 1.00 26.78 ? 421 ILE A O 1 ATOM 3192 C CB . ILE A 1 419 ? 10.821 15.489 -7.227 1.00 28.02 ? 421 ILE A CB 1 ATOM 3193 C CG1 . ILE A 1 419 ? 10.076 15.128 -8.512 1.00 28.84 ? 421 ILE A CG1 1 ATOM 3194 C CG2 . ILE A 1 419 ? 10.205 14.778 -6.058 1.00 32.48 ? 421 ILE A CG2 1 ATOM 3195 C CD1 . ILE A 1 419 ? 10.012 13.649 -8.784 1.00 37.02 ? 421 ILE A CD1 1 ATOM 3196 N N . ILE A 1 420 ? 9.891 17.771 -4.912 1.00 23.75 ? 422 ILE A N 1 ATOM 3197 C CA . ILE A 1 420 ? 9.892 18.180 -3.506 1.00 19.81 ? 422 ILE A CA 1 ATOM 3198 C C . ILE A 1 420 ? 8.873 17.379 -2.680 1.00 19.90 ? 422 ILE A C 1 ATOM 3199 O O . ILE A 1 420 ? 7.695 17.347 -3.011 1.00 19.38 ? 422 ILE A O 1 ATOM 3200 C CB . ILE A 1 420 ? 9.574 19.688 -3.356 1.00 21.09 ? 422 ILE A CB 1 ATOM 3201 C CG1 . ILE A 1 420 ? 10.745 20.554 -3.832 1.00 29.19 ? 422 ILE A CG1 1 ATOM 3202 C CG2 . ILE A 1 420 ? 9.250 20.029 -1.910 1.00 21.79 ? 422 ILE A CG2 1 ATOM 3203 C CD1 . ILE A 1 420 ? 10.782 20.815 -5.314 1.00 33.37 ? 422 ILE A CD1 1 ATOM 3204 N N . PRO A 1 421 ? 9.319 16.742 -1.587 1.00 24.37 ? 423 PRO A N 1 ATOM 3205 C CA . PRO A 1 421 ? 8.373 15.952 -0.797 1.00 25.20 ? 423 PRO A CA 1 ATOM 3206 C C . PRO A 1 421 ? 7.446 16.837 0.033 1.00 27.72 ? 423 PRO A C 1 ATOM 3207 O O . PRO A 1 421 ? 7.769 18.002 0.291 1.00 26.05 ? 423 PRO A O 1 ATOM 3208 C CB . PRO A 1 421 ? 9.284 15.112 0.104 1.00 25.42 ? 423 PRO A CB 1 ATOM 3209 C CG . PRO A 1 421 ? 10.484 15.964 0.295 1.00 25.39 ? 423 PRO A CG 1 ATOM 3210 C CD . PRO A 1 421 ? 10.659 16.774 -0.972 1.00 22.53 ? 423 PRO A CD 1 ATOM 3211 N N . GLN A 1 422 ? 6.299 16.287 0.427 1.00 22.91 ? 424 GLN A N 1 ATOM 3212 C CA . GLN A 1 422 ? 5.344 17.003 1.267 1.00 25.51 ? 424 GLN A CA 1 ATOM 3213 C C . GLN A 1 422 ? 4.543 16.012 2.096 1.00 27.84 ? 424 GLN A C 1 ATOM 3214 O O . GLN A 1 422 ? 4.153 14.954 1.600 1.00 22.89 ? 424 GLN A O 1 ATOM 3215 C CB . GLN A 1 422 ? 4.400 17.865 0.422 1.00 22.48 ? 424 GLN A CB 1 ATOM 3216 C CG . GLN A 1 422 ? 3.483 18.760 1.245 1.00 25.67 ? 424 GLN A CG 1 ATOM 3217 C CD . GLN A 1 422 ? 2.197 18.069 1.663 1.00 26.59 ? 424 GLN A CD 1 ATOM 3218 O OE1 . GLN A 1 422 ? 1.506 17.476 0.837 1.00 30.82 ? 424 GLN A OE1 1 ATOM 3219 N NE2 . GLN A 1 422 ? 1.868 18.149 2.947 1.00 24.40 ? 424 GLN A NE2 1 ATOM 3220 N N . ALA A 1 423 ? 4.304 16.370 3.354 1.00 22.69 ? 425 ALA A N 1 ATOM 3221 C CA . ALA A 1 423 ? 3.552 15.544 4.287 1.00 21.85 ? 425 ALA A CA 1 ATOM 3222 C C . ALA A 1 423 ? 3.159 16.421 5.454 1.00 22.97 ? 425 ALA A C 1 ATOM 3223 O O . ALA A 1 423 ? 3.729 17.494 5.636 1.00 27.80 ? 425 ALA A O 1 ATOM 3224 C CB . ALA A 1 423 ? 4.368 14.354 4.752 1.00 22.99 ? 425 ALA A CB 1 ATOM 3225 N N . GLY A 1 424 ? 2.194 15.973 6.250 1.00 30.37 ? 426 GLY A N 1 ATOM 3226 C CA . GLY A 1 424 ? 1.607 16.831 7.262 1.00 29.73 ? 426 GLY A CA 1 ATOM 3227 C C . GLY A 1 424 ? 0.740 17.866 6.567 1.00 35.43 ? 426 GLY A C 1 ATOM 3228 O O . GLY A 1 424 ? 0.581 17.832 5.345 1.00 33.00 ? 426 GLY A O 1 ATOM 3229 N N . THR A 1 425 ? 0.171 18.789 7.334 1.00 29.54 ? 427 THR A N 1 ATOM 3230 C CA . THR A 1 425 ? -0.704 19.795 6.751 1.00 28.40 ? 427 THR A CA 1 ATOM 3231 C C . THR A 1 425 ? 0.072 21.057 6.418 1.00 27.23 ? 427 THR A C 1 ATOM 3232 O O . THR A 1 425 ? -0.426 21.915 5.694 1.00 33.36 ? 427 THR A O 1 ATOM 3233 C CB . THR A 1 425 ? -1.878 20.159 7.689 1.00 30.87 ? 427 THR A CB 1 ATOM 3234 O OG1 . THR A 1 425 ? -1.372 20.761 8.886 1.00 31.41 ? 427 THR A OG1 1 ATOM 3235 C CG2 . THR A 1 425 ? -2.696 18.927 8.047 1.00 26.76 ? 427 THR A CG2 1 ATOM 3236 N N . ASP A 1 426 ? 1.290 21.157 6.944 1.00 32.75 ? 428 ASP A N 1 ATOM 3237 C CA . ASP A 1 426 ? 2.151 22.330 6.744 1.00 38.73 ? 428 ASP A CA 1 ATOM 3238 C C . ASP A 1 426 ? 1.510 23.634 7.226 1.00 43.45 ? 428 ASP A C 1 ATOM 3239 O O . ASP A 1 426 ? 1.759 24.700 6.664 1.00 43.90 ? 428 ASP A O 1 ATOM 3240 C CB . ASP A 1 426 ? 2.542 22.471 5.269 1.00 33.53 ? 428 ASP A CB 1 ATOM 3241 C CG . ASP A 1 426 ? 3.686 21.554 4.875 1.00 32.35 ? 428 ASP A CG 1 ATOM 3242 O OD1 . ASP A 1 426 ? 4.130 21.628 3.710 1.00 35.41 ? 428 ASP A OD1 1 ATOM 3243 O OD2 . ASP A 1 426 ? 4.147 20.769 5.730 1.00 34.28 ? 428 ASP A OD2 1 ATOM 3244 N N . SER A 1 427 ? 0.684 23.546 8.263 1.00 64.36 ? 429 SER A N 1 ATOM 3245 C CA . SER A 1 427 ? 0.060 24.733 8.840 1.00 69.48 ? 429 SER A CA 1 ATOM 3246 C C . SER A 1 427 ? -0.319 24.503 10.298 1.00 71.31 ? 429 SER A C 1 ATOM 3247 O O . SER A 1 427 ? -1.264 23.763 10.592 1.00 71.10 ? 429 SER A O 1 ATOM 3248 C CB . SER A 1 427 ? -1.176 25.125 8.041 1.00 73.67 ? 429 SER A CB 1 ATOM 3249 O OG . SER A 1 427 ? -2.194 24.158 8.211 1.00 77.52 ? 429 SER A OG 1 ATOM 3250 N N . PHE B 2 9 ? 9.965 26.760 5.841 1.00 58.02 ? 9 PHE B N 1 ATOM 3251 C CA . PHE B 2 9 ? 10.684 27.093 7.068 1.00 60.38 ? 9 PHE B CA 1 ATOM 3252 C C . PHE B 2 9 ? 11.532 25.900 7.574 1.00 53.44 ? 9 PHE B C 1 ATOM 3253 O O . PHE B 2 9 ? 11.517 25.581 8.757 1.00 50.78 ? 9 PHE B O 1 ATOM 3254 C CB . PHE B 2 9 ? 9.688 27.554 8.150 1.00 63.32 ? 9 PHE B CB 1 ATOM 3255 C CG . PHE B 2 9 ? 9.287 29.013 8.046 1.00 77.65 ? 9 PHE B CG 1 ATOM 3256 C CD1 . PHE B 2 9 ? 9.274 29.667 6.819 1.00 86.53 ? 9 PHE B CD1 1 ATOM 3257 C CD2 . PHE B 2 9 ? 8.934 29.735 9.183 1.00 77.65 ? 9 PHE B CD2 1 ATOM 3258 C CE1 . PHE B 2 9 ? 8.910 31.017 6.722 1.00 79.27 ? 9 PHE B CE1 1 ATOM 3259 C CE2 . PHE B 2 9 ? 8.572 31.083 9.094 1.00 81.31 ? 9 PHE B CE2 1 ATOM 3260 C CZ . PHE B 2 9 ? 8.559 31.723 7.858 1.00 75.47 ? 9 PHE B CZ 1 ATOM 3261 N N . GLY B 2 10 ? 12.247 25.228 6.671 1.00 40.65 ? 10 GLY B N 1 ATOM 3262 C CA . GLY B 2 10 ? 13.156 24.153 7.054 1.00 39.02 ? 10 GLY B CA 1 ATOM 3263 C C . GLY B 2 10 ? 12.718 22.683 7.068 1.00 42.84 ? 10 GLY B C 1 ATOM 3264 O O . GLY B 2 10 ? 12.628 22.085 8.135 1.00 48.63 ? 10 GLY B O 1 ATOM 3265 N N . LEU B 2 11 ? 12.441 22.110 5.899 1.00 22.18 ? 11 LEU B N 1 ATOM 3266 C CA . LEU B 2 11 ? 12.316 20.645 5.685 1.00 28.45 ? 11 LEU B CA 1 ATOM 3267 C C . LEU B 2 11 ? 11.076 19.942 6.257 1.00 30.44 ? 11 LEU B C 1 ATOM 3268 O O . LEU B 2 11 ? 10.732 18.845 5.813 1.00 28.52 ? 11 LEU B O 1 ATOM 3269 C CB . LEU B 2 11 ? 13.563 19.916 6.196 1.00 25.35 ? 11 LEU B CB 1 ATOM 3270 C CG . LEU B 2 11 ? 14.432 19.278 5.098 1.00 24.61 ? 11 LEU B CG 1 ATOM 3271 C CD1 . LEU B 2 11 ? 14.677 20.217 3.925 1.00 22.73 ? 11 LEU B CD1 1 ATOM 3272 C CD2 . LEU B 2 11 ? 15.752 18.789 5.659 1.00 24.68 ? 11 LEU B CD2 1 ATOM 3273 N N . LEU B 2 12 ? 10.393 20.557 7.212 1.00 25.38 ? 12 LEU B N 1 ATOM 3274 C CA . LEU B 2 12 ? 9.087 20.051 7.611 1.00 25.18 ? 12 LEU B CA 1 ATOM 3275 C C . LEU B 2 12 ? 7.991 20.823 6.882 1.00 26.41 ? 12 LEU B C 1 ATOM 3276 O O . LEU B 2 12 ? 6.805 20.511 7.009 1.00 27.37 ? 12 LEU B O 1 ATOM 3277 C CB . LEU B 2 12 ? 8.899 20.154 9.125 1.00 24.91 ? 12 LEU B CB 1 ATOM 3278 C CG . LEU B 2 12 ? 9.770 19.227 9.975 1.00 24.32 ? 12 LEU B CG 1 ATOM 3279 C CD1 . LEU B 2 12 ? 9.560 19.496 11.463 1.00 24.14 ? 12 LEU B CD1 1 ATOM 3280 C CD2 . LEU B 2 12 ? 9.495 17.764 9.643 1.00 20.32 ? 12 LEU B CD2 1 ATOM 3281 N N . PHE B 2 13 ? 8.397 21.831 6.114 1.00 24.67 ? 13 PHE B N 1 ATOM 3282 C CA . PHE B 2 13 ? 7.454 22.731 5.457 1.00 23.73 ? 13 PHE B CA 1 ATOM 3283 C C . PHE B 2 13 ? 7.806 22.996 3.992 1.00 24.77 ? 13 PHE B C 1 ATOM 3284 O O . PHE B 2 13 ? 8.978 23.061 3.615 1.00 22.08 ? 13 PHE B O 1 ATOM 3285 C CB . PHE B 2 13 ? 7.386 24.075 6.192 1.00 25.70 ? 13 PHE B CB 1 ATOM 3286 C CG . PHE B 2 13 ? 6.942 23.978 7.627 1.00 25.83 ? 13 PHE B CG 1 ATOM 3287 C CD1 . PHE B 2 13 ? 7.872 23.809 8.647 1.00 24.39 ? 13 PHE B CD1 1 ATOM 3288 C CD2 . PHE B 2 13 ? 5.601 24.075 7.957 1.00 23.68 ? 13 PHE B CD2 1 ATOM 3289 C CE1 . PHE B 2 13 ? 7.475 23.732 9.959 1.00 24.74 ? 13 PHE B CE1 1 ATOM 3290 C CE2 . PHE B 2 13 ? 5.193 23.993 9.272 1.00 26.95 ? 13 PHE B CE2 1 ATOM 3291 C CZ . PHE B 2 13 ? 6.132 23.824 10.277 1.00 26.67 ? 13 PHE B CZ 1 ATOM 3292 N N . VAL B 2 14 ? 6.776 23.156 3.171 1.00 23.72 ? 14 VAL B N 1 ATOM 3293 C CA . VAL B 2 14 ? 6.953 23.608 1.799 1.00 25.73 ? 14 VAL B CA 1 ATOM 3294 C C . VAL B 2 14 ? 6.146 24.890 1.631 1.00 27.27 ? 14 VAL B C 1 ATOM 3295 O O . VAL B 2 14 ? 4.946 24.911 1.890 1.00 32.47 ? 14 VAL B O 1 ATOM 3296 C CB . VAL B 2 14 ? 6.502 22.535 0.775 1.00 24.77 ? 14 VAL B CB 1 ATOM 3297 C CG1 . VAL B 2 14 ? 6.719 23.014 -0.651 1.00 22.65 ? 14 VAL B CG1 1 ATOM 3298 C CG2 . VAL B 2 14 ? 7.249 21.230 1.017 1.00 25.05 ? 14 VAL B CG2 1 ATOM 3299 N N . GLY B 2 15 ? 6.804 25.970 1.227 1.00 31.05 ? 15 GLY B N 1 ATOM 3300 C CA . GLY B 2 15 ? 6.118 27.239 1.061 1.00 30.43 ? 15 GLY B CA 1 ATOM 3301 C C . GLY B 2 15 ? 5.866 27.590 -0.394 1.00 35.50 ? 15 GLY B C 1 ATOM 3302 O O . GLY B 2 15 ? 6.530 27.067 -1.288 1.00 35.29 ? 15 GLY B O 1 ATOM 3303 N N . PHE B 2 16 ? 4.908 28.482 -0.624 1.00 50.11 ? 16 PHE B N 1 ATOM 3304 C CA . PHE B 2 16 ? 4.552 28.920 -1.971 1.00 54.01 ? 16 PHE B CA 1 ATOM 3305 C C . PHE B 2 16 ? 5.185 30.264 -2.317 1.00 53.40 ? 16 PHE B C 1 ATOM 3306 O O . PHE B 2 16 ? 5.416 31.090 -1.441 1.00 61.10 ? 16 PHE B O 1 ATOM 3307 C CB . PHE B 2 16 ? 3.031 29.021 -2.114 1.00 58.94 ? 16 PHE B CB 1 ATOM 3308 C CG . PHE B 2 16 ? 2.322 27.702 -2.008 1.00 62.56 ? 16 PHE B CG 1 ATOM 3309 C CD1 . PHE B 2 16 ? 1.763 27.112 -3.130 1.00 71.23 ? 16 PHE B CD1 1 ATOM 3310 C CD2 . PHE B 2 16 ? 2.210 27.049 -0.786 1.00 65.54 ? 16 PHE B CD2 1 ATOM 3311 C CE1 . PHE B 2 16 ? 1.108 25.894 -3.038 1.00 69.43 ? 16 PHE B CE1 1 ATOM 3312 C CE2 . PHE B 2 16 ? 1.558 25.832 -0.687 1.00 64.44 ? 16 PHE B CE2 1 ATOM 3313 C CZ . PHE B 2 16 ? 1.007 25.255 -1.814 1.00 68.64 ? 16 PHE B CZ 1 ATOM 3314 N N . VAL B 2 17 ? 5.462 30.480 -3.598 1.00 50.08 ? 17 VAL B N 1 ATOM 3315 C CA . VAL B 2 17 ? 5.957 31.771 -4.061 1.00 54.04 ? 17 VAL B CA 1 ATOM 3316 C C . VAL B 2 17 ? 5.226 32.193 -5.333 1.00 58.25 ? 17 VAL B C 1 ATOM 3317 O O . VAL B 2 17 ? 4.669 31.358 -6.046 1.00 54.25 ? 17 VAL B O 1 ATOM 3318 C CB . VAL B 2 17 ? 7.481 31.750 -4.314 1.00 55.15 ? 17 VAL B CB 1 ATOM 3319 C CG1 . VAL B 2 17 ? 8.240 31.815 -2.993 1.00 48.67 ? 17 VAL B CG1 1 ATOM 3320 C CG2 . VAL B 2 17 ? 7.881 30.521 -5.125 1.00 51.34 ? 17 VAL B CG2 1 ATOM 3321 N N . ALA B 2 18 ? 5.243 33.495 -5.608 1.00 72.54 ? 18 ALA B N 1 ATOM 3322 C CA . ALA B 2 18 ? 4.418 34.088 -6.655 1.00 64.72 ? 18 ALA B CA 1 ATOM 3323 C C . ALA B 2 18 ? 5.003 33.936 -8.057 1.00 69.81 ? 18 ALA B C 1 ATOM 3324 O O . ALA B 2 18 ? 5.965 33.194 -8.261 1.00 68.69 ? 18 ALA B O 1 ATOM 3325 C CB . ALA B 2 18 ? 4.185 35.558 -6.349 1.00 71.19 ? 18 ALA B CB 1 ATOM 3326 N N . GLY B 2 19 ? 4.398 34.661 -9.000 1.00 84.89 ? 19 GLY B N 1 ATOM 3327 C CA . GLY B 2 19 ? 4.708 34.625 -10.424 1.00 89.29 ? 19 GLY B CA 1 ATOM 3328 C C . GLY B 2 19 ? 6.098 34.218 -10.876 1.00 85.61 ? 19 GLY B C 1 ATOM 3329 O O . GLY B 2 19 ? 6.274 33.140 -11.445 1.00 87.88 ? 19 GLY B O 1 ATOM 3330 N N . GLY B 2 20 ? 7.086 35.077 -10.643 1.00 56.42 ? 20 GLY B N 1 ATOM 3331 C CA . GLY B 2 20 ? 8.461 34.743 -10.967 1.00 53.86 ? 20 GLY B CA 1 ATOM 3332 C C . GLY B 2 20 ? 8.965 33.727 -9.966 1.00 58.49 ? 20 GLY B C 1 ATOM 3333 O O . GLY B 2 20 ? 8.280 32.747 -9.686 1.00 64.89 ? 20 GLY B O 1 ATOM 3334 N N . VAL B 2 21 ? 10.153 33.967 -9.420 1.00 53.18 ? 21 VAL B N 1 ATOM 3335 C CA . VAL B 2 21 ? 10.698 33.194 -8.294 1.00 58.55 ? 21 VAL B CA 1 ATOM 3336 C C . VAL B 2 21 ? 10.881 31.695 -8.575 1.00 53.72 ? 21 VAL B C 1 ATOM 3337 O O . VAL B 2 21 ? 9.927 30.974 -8.848 1.00 46.71 ? 21 VAL B O 1 ATOM 3338 C CB . VAL B 2 21 ? 9.814 33.332 -7.020 1.00 57.62 ? 21 VAL B CB 1 ATOM 3339 C CG1 . VAL B 2 21 ? 10.609 32.924 -5.790 1.00 51.14 ? 21 VAL B CG1 1 ATOM 3340 C CG2 . VAL B 2 21 ? 9.296 34.759 -6.858 1.00 55.59 ? 21 VAL B CG2 1 ATOM 3341 N N . ALA B 2 22 ? 12.119 31.229 -8.477 1.00 54.46 ? 22 ALA B N 1 ATOM 3342 C CA . ALA B 2 22 ? 12.422 29.823 -8.697 1.00 47.50 ? 22 ALA B CA 1 ATOM 3343 C C . ALA B 2 22 ? 11.919 28.956 -7.543 1.00 53.25 ? 22 ALA B C 1 ATOM 3344 O O . ALA B 2 22 ? 11.966 29.364 -6.380 1.00 52.82 ? 22 ALA B O 1 ATOM 3345 C CB . ALA B 2 22 ? 13.912 29.632 -8.885 1.00 43.92 ? 22 ALA B CB 1 ATOM 3346 N N . GLY B 2 23 ? 11.431 27.762 -7.870 1.00 43.79 ? 23 GLY B N 1 ATOM 3347 C CA . GLY B 2 23 ? 11.051 26.791 -6.861 1.00 35.21 ? 23 GLY B CA 1 ATOM 3348 C C . GLY B 2 23 ? 12.207 25.837 -6.653 1.00 35.46 ? 23 GLY B C 1 ATOM 3349 O O . GLY B 2 23 ? 13.049 25.687 -7.532 1.00 39.73 ? 23 GLY B O 1 ATOM 3350 N N . GLY B 2 24 ? 12.262 25.193 -5.493 1.00 32.76 ? 24 GLY B N 1 ATOM 3351 C CA . GLY B 2 24 ? 13.358 24.290 -5.205 1.00 29.82 ? 24 GLY B CA 1 ATOM 3352 C C . GLY B 2 24 ? 13.821 24.332 -3.762 1.00 33.65 ? 24 GLY B C 1 ATOM 3353 O O . GLY B 2 24 ? 13.021 24.552 -2.842 1.00 26.80 ? 24 GLY B O 1 ATOM 3354 N N . TYR B 2 25 ? 15.120 24.110 -3.576 1.00 29.17 ? 25 TYR B N 1 ATOM 3355 C CA . TYR B 2 25 ? 15.738 24.076 -2.257 1.00 34.60 ? 25 TYR B CA 1 ATOM 3356 C C . TYR B 2 25 ? 16.711 25.231 -2.070 1.00 35.49 ? 25 TYR B C 1 ATOM 3357 O O . TYR B 2 25 ? 17.685 25.336 -2.799 1.00 38.82 ? 25 TYR B O 1 ATOM 3358 C CB . TYR B 2 25 ? 16.473 22.754 -2.045 1.00 29.85 ? 25 TYR B CB 1 ATOM 3359 C CG . TYR B 2 25 ? 15.615 21.535 -2.244 1.00 34.31 ? 25 TYR B CG 1 ATOM 3360 C CD1 . TYR B 2 25 ? 14.820 21.051 -1.214 1.00 29.75 ? 25 TYR B CD1 1 ATOM 3361 C CD2 . TYR B 2 25 ? 15.601 20.862 -3.458 1.00 31.28 ? 25 TYR B CD2 1 ATOM 3362 C CE1 . TYR B 2 25 ? 14.031 19.933 -1.391 1.00 32.38 ? 25 TYR B CE1 1 ATOM 3363 C CE2 . TYR B 2 25 ? 14.816 19.740 -3.642 1.00 28.40 ? 25 TYR B CE2 1 ATOM 3364 C CZ . TYR B 2 25 ? 14.032 19.281 -2.606 1.00 25.83 ? 25 TYR B CZ 1 ATOM 3365 O OH . TYR B 2 25 ? 13.244 18.167 -2.771 1.00 18.28 ? 25 TYR B OH 1 ATOM 3366 N N . PHE B 2 26 ? 16.469 26.073 -1.071 1.00 31.10 ? 26 PHE B N 1 ATOM 3367 C CA . PHE B 2 26 ? 17.259 27.292 -0.902 1.00 34.25 ? 26 PHE B CA 1 ATOM 3368 C C . PHE B 2 26 ? 17.848 27.404 0.506 1.00 32.37 ? 26 PHE B C 1 ATOM 3369 O O . PHE B 2 26 ? 17.478 26.645 1.404 1.00 34.21 ? 26 PHE B O 1 ATOM 3370 C CB . PHE B 2 26 ? 16.395 28.516 -1.229 1.00 30.51 ? 26 PHE B CB 1 ATOM 3371 C CG . PHE B 2 26 ? 15.806 28.486 -2.615 1.00 34.77 ? 26 PHE B CG 1 ATOM 3372 C CD1 . PHE B 2 26 ? 16.421 29.154 -3.657 1.00 38.66 ? 26 PHE B CD1 1 ATOM 3373 C CD2 . PHE B 2 26 ? 14.643 27.776 -2.880 1.00 36.05 ? 26 PHE B CD2 1 ATOM 3374 C CE1 . PHE B 2 26 ? 15.891 29.120 -4.936 1.00 42.80 ? 26 PHE B CE1 1 ATOM 3375 C CE2 . PHE B 2 26 ? 14.109 27.733 -4.163 1.00 32.99 ? 26 PHE B CE2 1 ATOM 3376 C CZ . PHE B 2 26 ? 14.732 28.409 -5.187 1.00 39.58 ? 26 PHE B CZ 1 ATOM 3377 N N . TRP B 2 27 ? 18.787 28.327 0.687 1.00 30.34 ? 27 TRP B N 1 ATOM 3378 C CA . TRP B 2 27 ? 19.284 28.651 2.023 1.00 34.18 ? 27 TRP B CA 1 ATOM 3379 C C . TRP B 2 27 ? 18.568 29.873 2.563 1.00 33.00 ? 27 TRP B C 1 ATOM 3380 O O . TRP B 2 27 ? 18.453 30.884 1.873 1.00 40.07 ? 27 TRP B O 1 ATOM 3381 C CB . TRP B 2 27 ? 20.793 28.896 2.017 1.00 34.11 ? 27 TRP B CB 1 ATOM 3382 C CG . TRP B 2 27 ? 21.605 27.635 2.067 1.00 32.04 ? 27 TRP B CG 1 ATOM 3383 C CD1 . TRP B 2 27 ? 22.416 27.149 1.091 1.00 28.24 ? 27 TRP B CD1 1 ATOM 3384 C CD2 . TRP B 2 27 ? 21.676 26.700 3.152 1.00 26.65 ? 27 TRP B CD2 1 ATOM 3385 N NE1 . TRP B 2 27 ? 22.994 25.974 1.498 1.00 28.09 ? 27 TRP B NE1 1 ATOM 3386 C CE2 . TRP B 2 27 ? 22.557 25.676 2.760 1.00 24.76 ? 27 TRP B CE2 1 ATOM 3387 C CE3 . TRP B 2 27 ? 21.081 26.630 4.415 1.00 31.77 ? 27 TRP B CE3 1 ATOM 3388 C CZ2 . TRP B 2 27 ? 22.858 24.590 3.582 1.00 27.21 ? 27 TRP B CZ2 1 ATOM 3389 C CZ3 . TRP B 2 27 ? 21.380 25.546 5.234 1.00 31.77 ? 27 TRP B CZ3 1 ATOM 3390 C CH2 . TRP B 2 27 ? 22.261 24.542 4.811 1.00 28.75 ? 27 TRP B CH2 1 ATOM 3391 N N . GLY B 2 28 ? 18.079 29.771 3.794 1.00 35.00 ? 28 GLY B N 1 ATOM 3392 C CA . GLY B 2 28 ? 17.379 30.868 4.435 1.00 42.34 ? 28 GLY B CA 1 ATOM 3393 C C . GLY B 2 28 ? 17.990 31.202 5.782 1.00 46.94 ? 28 GLY B C 1 ATOM 3394 O O . GLY B 2 28 ? 18.288 30.298 6.565 1.00 46.20 ? 28 GLY B O 1 ATOM 3395 N N . ARG B 2 29 ? 18.172 32.495 6.053 1.00 46.92 ? 29 ARG B N 1 ATOM 3396 C CA . ARG B 2 29 ? 18.826 32.953 7.283 1.00 46.04 ? 29 ARG B CA 1 ATOM 3397 C C . ARG B 2 29 ? 17.938 33.921 8.086 1.00 49.84 ? 29 ARG B C 1 ATOM 3398 O O . ARG B 2 29 ? 16.907 34.375 7.596 1.00 50.21 ? 29 ARG B O 1 ATOM 3399 C CB . ARG B 2 29 ? 20.170 33.593 6.941 1.00 38.28 ? 29 ARG B CB 1 ATOM 3400 C CG . ARG B 2 29 ? 21.035 32.705 6.050 1.00 41.49 ? 29 ARG B CG 1 ATOM 3401 C CD . ARG B 2 29 ? 22.412 33.301 5.791 1.00 44.69 ? 29 ARG B CD 1 ATOM 3402 N NE . ARG B 2 29 ? 23.174 33.483 7.024 1.00 42.21 ? 29 ARG B NE 1 ATOM 3403 C CZ . ARG B 2 29 ? 24.478 33.735 7.061 1.00 43.60 ? 29 ARG B CZ 1 ATOM 3404 N NH1 . ARG B 2 29 ? 25.165 33.836 5.931 1.00 34.02 ? 29 ARG B NH1 1 ATOM 3405 N NH2 . ARG B 2 29 ? 25.095 33.883 8.227 1.00 44.60 ? 29 ARG B NH2 1 ATOM 3406 N N . SER B 2 30 ? 18.356 34.244 9.309 1.00 78.14 ? 30 SER B N 1 ATOM 3407 C CA . SER B 2 30 ? 17.436 34.746 10.339 1.00 82.25 ? 30 SER B CA 1 ATOM 3408 C C . SER B 2 30 ? 17.585 36.191 10.829 1.00 96.15 ? 30 SER B C 1 ATOM 3409 O O . SER B 2 30 ? 17.463 37.148 10.062 1.00 101.09 ? 30 SER B O 1 ATOM 3410 C CB . SER B 2 30 ? 17.538 33.839 11.562 1.00 81.73 ? 30 SER B CB 1 ATOM 3411 O OG . SER B 2 30 ? 16.870 34.400 12.678 1.00 90.90 ? 30 SER B OG 1 ATOM 3412 N N . ASN B 2 31 ? 17.822 36.321 12.135 1.00 85.71 ? 31 ASN B N 1 ATOM 3413 C CA . ASN B 2 31 ? 17.733 37.592 12.850 1.00 89.64 ? 31 ASN B CA 1 ATOM 3414 C C . ASN B 2 31 ? 19.020 38.407 12.773 1.00 95.43 ? 31 ASN B C 1 ATOM 3415 O O . ASN B 2 31 ? 19.637 38.509 11.712 1.00 98.48 ? 31 ASN B O 1 ATOM 3416 C CB . ASN B 2 31 ? 17.366 37.329 14.315 1.00 87.65 ? 31 ASN B CB 1 ATOM 3417 C CG . ASN B 2 31 ? 16.348 38.322 14.857 1.00 99.91 ? 31 ASN B CG 1 ATOM 3418 O OD1 . ASN B 2 31 ? 16.311 39.483 14.450 1.00 102.00 ? 31 ASN B OD1 1 ATOM 3419 N ND2 . ASN B 2 31 ? 15.509 37.862 15.781 1.00 97.91 ? 31 ASN B ND2 1 ATOM 3420 N N . GLY B 2 32 ? 19.420 38.991 13.900 1.00 113.13 ? 32 GLY B N 1 ATOM 3421 C CA . GLY B 2 32 ? 20.665 39.737 13.968 1.00 119.70 ? 32 GLY B CA 1 ATOM 3422 C C . GLY B 2 32 ? 20.629 40.954 14.876 1.00 118.15 ? 32 GLY B C 1 ATOM 3423 O O . GLY B 2 32 ? 20.942 40.868 16.066 1.00 113.19 ? 32 GLY B O 1 ATOM 3424 N N . GLY B 2 33 ? 20.250 42.096 14.309 1.00 112.47 ? 33 GLY B N 1 ATOM 3425 C CA . GLY B 2 33 ? 20.249 43.350 15.039 1.00 115.84 ? 33 GLY B CA 1 ATOM 3426 C C . GLY B 2 33 ? 19.137 43.454 16.063 1.00 119.49 ? 33 GLY B C 1 ATOM 3427 O O . GLY B 2 33 ? 19.202 44.276 16.981 1.00 111.58 ? 33 GLY B O 1 ATOM 3428 N N . GLY B 2 34 ? 18.112 42.621 15.902 1.00 125.38 ? 34 GLY B N 1 ATOM 3429 C CA . GLY B 2 34 ? 16.976 42.613 16.806 1.00 121.16 ? 34 GLY B CA 1 ATOM 3430 C C . GLY B 2 34 ? 16.062 43.808 16.611 1.00 123.90 ? 34 GLY B C 1 ATOM 3431 O O . GLY B 2 34 ? 16.288 44.871 17.192 1.00 123.08 ? 34 GLY B O 1 ATOM 3432 N N . GLY B 2 35 ? 15.030 43.639 15.787 1.00 120.36 ? 35 GLY B N 1 ATOM 3433 C CA . GLY B 2 35 ? 14.805 42.390 15.079 1.00 117.30 ? 35 GLY B CA 1 ATOM 3434 C C . GLY B 2 35 ? 15.307 42.455 13.648 1.00 119.01 ? 35 GLY B C 1 ATOM 3435 O O . GLY B 2 35 ? 15.282 43.519 13.031 1.00 118.96 ? 35 GLY B O 1 ATOM 3436 N N . GLY B 2 36 ? 15.764 41.317 13.125 1.00 115.98 ? 36 GLY B N 1 ATOM 3437 C CA . GLY B 2 36 ? 16.259 41.220 11.760 1.00 108.75 ? 36 GLY B CA 1 ATOM 3438 C C . GLY B 2 36 ? 15.148 41.300 10.730 1.00 112.67 ? 36 GLY B C 1 ATOM 3439 O O . GLY B 2 36 ? 14.144 41.975 10.954 1.00 117.24 ? 36 GLY B O 1 ATOM 3440 N N . ALA B 2 37 ? 15.310 40.608 9.605 1.00 117.40 ? 37 ALA B N 1 ATOM 3441 C CA . ALA B 2 37 ? 14.317 40.696 8.535 1.00 112.65 ? 37 ALA B CA 1 ATOM 3442 C C . ALA B 2 37 ? 14.362 39.520 7.556 1.00 111.82 ? 37 ALA B C 1 ATOM 3443 O O . ALA B 2 37 ? 13.808 39.619 6.462 1.00 109.49 ? 37 ALA B O 1 ATOM 3444 C CB . ALA B 2 37 ? 14.487 42.014 7.776 1.00 111.70 ? 37 ALA B CB 1 ATOM 3445 N N . SER B 2 38 ? 15.016 38.422 7.944 1.00 97.00 ? 38 SER B N 1 ATOM 3446 C CA . SER B 2 38 ? 15.124 37.203 7.118 1.00 84.98 ? 38 SER B CA 1 ATOM 3447 C C . SER B 2 38 ? 15.754 37.423 5.738 1.00 79.81 ? 38 SER B C 1 ATOM 3448 O O . SER B 2 38 ? 15.957 38.556 5.294 1.00 90.00 ? 38 SER B O 1 ATOM 3449 C CB . SER B 2 38 ? 13.754 36.543 6.929 1.00 79.82 ? 38 SER B CB 1 ATOM 3450 O OG . SER B 2 38 ? 13.236 36.016 8.134 1.00 83.84 ? 38 SER B OG 1 ATOM 3451 N N . VAL B 2 39 ? 16.052 36.313 5.067 1.00 61.73 ? 39 VAL B N 1 ATOM 3452 C CA . VAL B 2 39 ? 16.690 36.331 3.749 1.00 56.41 ? 39 VAL B CA 1 ATOM 3453 C C . VAL B 2 39 ? 16.751 34.921 3.155 1.00 54.12 ? 39 VAL B C 1 ATOM 3454 O O . VAL B 2 39 ? 17.105 33.964 3.846 1.00 50.96 ? 39 VAL B O 1 ATOM 3455 C CB . VAL B 2 39 ? 18.121 36.916 3.818 1.00 53.98 ? 39 VAL B CB 1 ATOM 3456 C CG1 . VAL B 2 39 ? 18.901 36.293 4.964 1.00 57.90 ? 39 VAL B CG1 1 ATOM 3457 C CG2 . VAL B 2 39 ? 18.862 36.731 2.496 1.00 55.16 ? 39 VAL B CG2 1 ATOM 3458 N N . SER B 2 40 ? 16.415 34.794 1.875 1.00 42.16 ? 40 SER B N 1 ATOM 3459 C CA . SER B 2 40 ? 16.483 33.507 1.198 1.00 37.82 ? 40 SER B CA 1 ATOM 3460 C C . SER B 2 40 ? 17.340 33.615 -0.057 1.00 38.92 ? 40 SER B C 1 ATOM 3461 O O . SER B 2 40 ? 17.177 34.539 -0.843 1.00 44.47 ? 40 SER B O 1 ATOM 3462 C CB . SER B 2 40 ? 15.077 33.007 0.853 1.00 39.34 ? 40 SER B CB 1 ATOM 3463 O OG . SER B 2 40 ? 15.131 31.779 0.140 1.00 45.27 ? 40 SER B OG 1 ATOM 3464 N N . SER B 2 41 ? 18.242 32.657 -0.248 1.00 49.15 ? 41 SER B N 1 ATOM 3465 C CA . SER B 2 41 ? 19.236 32.724 -1.320 1.00 50.19 ? 41 SER B CA 1 ATOM 3466 C C . SER B 2 41 ? 18.673 32.469 -2.717 1.00 56.36 ? 41 SER B C 1 ATOM 3467 O O . SER B 2 41 ? 17.545 32.857 -3.034 1.00 55.86 ? 41 SER B O 1 ATOM 3468 C CB . SER B 2 41 ? 20.358 31.719 -1.057 1.00 51.35 ? 41 SER B CB 1 ATOM 3469 O OG . SER B 2 41 ? 19.934 30.396 -1.352 1.00 51.59 ? 41 SER B OG 1 ATOM 3470 N N . THR B 2 42 ? 19.491 31.824 -3.548 1.00 72.24 ? 42 THR B N 1 ATOM 3471 C CA . THR B 2 42 ? 19.095 31.415 -4.895 1.00 70.60 ? 42 THR B CA 1 ATOM 3472 C C . THR B 2 42 ? 19.639 30.020 -5.240 1.00 74.27 ? 42 THR B C 1 ATOM 3473 O O . THR B 2 42 ? 20.294 29.828 -6.264 1.00 82.45 ? 42 THR B O 1 ATOM 3474 C CB . THR B 2 42 ? 19.562 32.426 -5.954 1.00 74.19 ? 42 THR B CB 1 ATOM 3475 O OG1 . THR B 2 42 ? 19.475 31.826 -7.251 1.00 73.84 ? 42 THR B OG1 1 ATOM 3476 C CG2 . THR B 2 42 ? 21.000 32.864 -5.689 1.00 78.15 ? 42 THR B CG2 1 ATOM 3477 N N . GLN B 2 43 ? 19.353 29.068 -4.353 1.00 87.85 ? 43 GLN B N 1 ATOM 3478 C CA . GLN B 2 43 ? 19.651 27.636 -4.497 1.00 85.85 ? 43 GLN B CA 1 ATOM 3479 C C . GLN B 2 43 ? 21.133 27.313 -4.325 1.00 95.20 ? 43 GLN B C 1 ATOM 3480 O O . GLN B 2 43 ? 22.008 28.103 -4.688 1.00 99.35 ? 43 GLN B O 1 ATOM 3481 C CB . GLN B 2 43 ? 19.133 27.084 -5.832 1.00 82.74 ? 43 GLN B CB 1 ATOM 3482 C CG . GLN B 2 43 ? 18.016 26.072 -5.607 1.00 85.41 ? 43 GLN B CG 1 ATOM 3483 C CD . GLN B 2 43 ? 17.410 25.476 -6.861 1.00 90.07 ? 43 GLN B CD 1 ATOM 3484 O OE1 . GLN B 2 43 ? 17.866 25.734 -7.975 1.00 100.09 ? 43 GLN B OE1 1 ATOM 3485 N NE2 . GLN B 2 43 ? 16.396 24.628 -6.675 1.00 78.51 ? 43 GLN B NE2 1 ATOM 3486 N N . ALA B 2 44 ? 21.398 26.141 -3.752 1.00 93.58 ? 44 ALA B N 1 ATOM 3487 C CA . ALA B 2 44 ? 22.739 25.781 -3.302 1.00 94.62 ? 44 ALA B CA 1 ATOM 3488 C C . ALA B 2 44 ? 23.440 24.801 -4.236 1.00 100.98 ? 44 ALA B C 1 ATOM 3489 O O . ALA B 2 44 ? 23.063 24.654 -5.402 1.00 104.16 ? 44 ALA B O 1 ATOM 3490 C CB . ALA B 2 44 ? 22.672 25.198 -1.898 1.00 89.83 ? 44 ALA B CB 1 ATOM 3491 N N . GLY B 2 45 ? 24.467 24.138 -3.709 1.00 86.92 ? 45 GLY B N 1 ATOM 3492 C CA . GLY B 2 45 ? 25.218 23.148 -4.458 1.00 83.58 ? 45 GLY B CA 1 ATOM 3493 C C . GLY B 2 45 ? 24.725 21.741 -4.174 1.00 87.21 ? 45 GLY B C 1 ATOM 3494 O O . GLY B 2 45 ? 25.473 20.768 -4.327 1.00 85.88 ? 45 GLY B O 1 ATOM 3495 N N . PHE B 2 46 ? 23.461 21.634 -3.767 1.00 69.10 ? 46 PHE B N 1 ATOM 3496 C CA . PHE B 2 46 ? 22.853 20.348 -3.431 1.00 57.93 ? 46 PHE B CA 1 ATOM 3497 C C . PHE B 2 46 ? 22.774 19.406 -4.620 1.00 56.57 ? 46 PHE B C 1 ATOM 3498 O O . PHE B 2 46 ? 21.679 19.073 -5.071 1.00 54.35 ? 46 PHE B O 1 ATOM 3499 C CB . PHE B 2 46 ? 21.443 20.548 -2.887 1.00 61.16 ? 46 PHE B CB 1 ATOM 3500 C CG . PHE B 2 46 ? 21.385 21.306 -1.600 1.00 59.54 ? 46 PHE B CG 1 ATOM 3501 C CD1 . PHE B 2 46 ? 22.423 21.240 -0.691 1.00 63.39 ? 46 PHE B CD1 1 ATOM 3502 C CD2 . PHE B 2 46 ? 20.281 22.086 -1.299 1.00 60.19 ? 46 PHE B CD2 1 ATOM 3503 C CE1 . PHE B 2 46 ? 22.362 21.941 0.500 1.00 60.37 ? 46 PHE B CE1 1 ATOM 3504 C CE2 . PHE B 2 46 ? 20.213 22.792 -0.112 1.00 60.39 ? 46 PHE B CE2 1 ATOM 3505 C CZ . PHE B 2 46 ? 21.255 22.719 0.789 1.00 53.90 ? 46 PHE B CZ 1 ATOM 3506 N N . ASP B 2 47 ? 23.920 18.967 -5.127 1.00 61.80 ? 47 ASP B N 1 ATOM 3507 C CA . ASP B 2 47 ? 23.913 18.039 -6.248 1.00 66.75 ? 47 ASP B CA 1 ATOM 3508 C C . ASP B 2 47 ? 23.563 16.630 -5.765 1.00 57.79 ? 47 ASP B C 1 ATOM 3509 O O . ASP B 2 47 ? 23.190 15.767 -6.559 1.00 60.72 ? 47 ASP B O 1 ATOM 3510 C CB . ASP B 2 47 ? 25.262 18.045 -6.965 1.00 66.01 ? 47 ASP B CB 1 ATOM 3511 C CG . ASP B 2 47 ? 26.333 17.342 -6.176 1.00 75.82 ? 47 ASP B CG 1 ATOM 3512 O OD1 . ASP B 2 47 ? 26.480 17.655 -4.974 1.00 81.48 ? 47 ASP B OD1 1 ATOM 3513 O OD2 . ASP B 2 47 ? 27.015 16.467 -6.753 1.00 79.78 ? 47 ASP B OD2 1 ATOM 3514 N N . LYS B 2 48 ? 23.680 16.408 -4.459 1.00 32.81 ? 48 LYS B N 1 ATOM 3515 C CA . LYS B 2 48 ? 23.284 15.138 -3.855 1.00 36.82 ? 48 LYS B CA 1 ATOM 3516 C C . LYS B 2 48 ? 21.780 14.908 -4.009 1.00 33.30 ? 48 LYS B C 1 ATOM 3517 O O . LYS B 2 48 ? 21.330 13.785 -4.214 1.00 30.18 ? 48 LYS B O 1 ATOM 3518 C CB . LYS B 2 48 ? 23.672 15.100 -2.376 1.00 29.94 ? 48 LYS B CB 1 ATOM 3519 C CG . LYS B 2 48 ? 23.241 13.841 -1.639 1.00 31.66 ? 48 LYS B CG 1 ATOM 3520 C CD . LYS B 2 48 ? 22.753 14.193 -0.237 1.00 38.49 ? 48 LYS B CD 1 ATOM 3521 C CE . LYS B 2 48 ? 22.772 13.013 0.728 1.00 32.44 ? 48 LYS B CE 1 ATOM 3522 N NZ . LYS B 2 48 ? 21.697 12.011 0.466 1.00 32.13 ? 48 LYS B NZ 1 ATOM 3523 N N . ILE B 2 49 ? 21.005 15.981 -3.916 1.00 33.53 ? 49 ILE B N 1 ATOM 3524 C CA . ILE B 2 49 ? 19.573 15.886 -4.119 1.00 33.51 ? 49 ILE B CA 1 ATOM 3525 C C . ILE B 2 49 ? 19.268 15.565 -5.573 1.00 37.57 ? 49 ILE B C 1 ATOM 3526 O O . ILE B 2 49 ? 18.396 14.746 -5.869 1.00 39.31 ? 49 ILE B O 1 ATOM 3527 C CB . ILE B 2 49 ? 18.861 17.179 -3.719 1.00 40.44 ? 49 ILE B CB 1 ATOM 3528 C CG1 . ILE B 2 49 ? 19.157 17.508 -2.259 1.00 37.41 ? 49 ILE B CG1 1 ATOM 3529 C CG2 . ILE B 2 49 ? 17.356 17.055 -3.934 1.00 36.55 ? 49 ILE B CG2 1 ATOM 3530 C CD1 . ILE B 2 49 ? 18.595 18.842 -1.834 1.00 42.49 ? 49 ILE B CD1 1 ATOM 3531 N N . GLY B 2 50 ? 19.996 16.206 -6.480 1.00 33.13 ? 50 GLY B N 1 ATOM 3532 C CA . GLY B 2 50 ? 19.836 15.939 -7.894 1.00 29.73 ? 50 GLY B CA 1 ATOM 3533 C C . GLY B 2 50 ? 20.099 14.481 -8.213 1.00 31.31 ? 50 GLY B C 1 ATOM 3534 O O . GLY B 2 50 ? 19.352 13.864 -8.967 1.00 30.70 ? 50 GLY B O 1 ATOM 3535 N N . LYS B 2 51 ? 21.158 13.926 -7.633 1.00 33.17 ? 51 LYS B N 1 ATOM 3536 C CA . LYS B 2 51 ? 21.501 12.530 -7.870 1.00 39.69 ? 51 LYS B CA 1 ATOM 3537 C C . LYS B 2 51 ? 20.510 11.590 -7.188 1.00 36.16 ? 51 LYS B C 1 ATOM 3538 O O . LYS B 2 51 ? 20.164 10.545 -7.735 1.00 30.77 ? 51 LYS B O 1 ATOM 3539 C CB . LYS B 2 51 ? 22.922 12.236 -7.386 1.00 44.28 ? 51 LYS B CB 1 ATOM 3540 C CG . LYS B 2 51 ? 23.983 13.116 -8.032 1.00 54.26 ? 51 LYS B CG 1 ATOM 3541 C CD . LYS B 2 51 ? 25.368 12.871 -7.445 1.00 55.72 ? 51 LYS B CD 1 ATOM 3542 C CE . LYS B 2 51 ? 26.432 13.633 -8.228 1.00 64.66 ? 51 LYS B CE 1 ATOM 3543 N NZ . LYS B 2 51 ? 27.814 13.247 -7.825 1.00 59.48 ? 51 LYS B NZ 1 ATOM 3544 N N . ASP B 2 52 ? 20.061 11.966 -5.994 1.00 29.31 ? 52 ASP B N 1 ATOM 3545 C CA . ASP B 2 52 ? 19.139 11.129 -5.244 1.00 31.26 ? 52 ASP B CA 1 ATOM 3546 C C . ASP B 2 52 ? 17.790 11.062 -5.954 1.00 31.47 ? 52 ASP B C 1 ATOM 3547 O O . ASP B 2 52 ? 17.178 9.998 -6.037 1.00 30.29 ? 52 ASP B O 1 ATOM 3548 C CB . ASP B 2 52 ? 18.982 11.641 -3.807 1.00 30.55 ? 52 ASP B CB 1 ATOM 3549 C CG . ASP B 2 52 ? 20.197 11.318 -2.934 1.00 35.89 ? 52 ASP B CG 1 ATOM 3550 O OD1 . ASP B 2 52 ? 21.077 10.550 -3.390 1.00 35.84 ? 52 ASP B OD1 1 ATOM 3551 O OD2 . ASP B 2 52 ? 20.272 11.821 -1.791 1.00 31.93 ? 52 ASP B OD2 1 ATOM 3552 N N . ILE B 2 53 ? 17.341 12.193 -6.487 1.00 28.17 ? 53 ILE B N 1 ATOM 3553 C CA . ILE B 2 53 ? 16.109 12.232 -7.268 1.00 25.33 ? 53 ILE B CA 1 ATOM 3554 C C . ILE B 2 53 ? 16.186 11.321 -8.500 1.00 27.78 ? 53 ILE B C 1 ATOM 3555 O O . ILE B 2 53 ? 15.245 10.579 -8.791 1.00 25.86 ? 53 ILE B O 1 ATOM 3556 C CB . ILE B 2 53 ? 15.784 13.668 -7.705 1.00 27.59 ? 53 ILE B CB 1 ATOM 3557 C CG1 . ILE B 2 53 ? 15.263 14.471 -6.518 1.00 23.00 ? 53 ILE B CG1 1 ATOM 3558 C CG2 . ILE B 2 53 ? 14.753 13.683 -8.817 1.00 28.49 ? 53 ILE B CG2 1 ATOM 3559 C CD1 . ILE B 2 53 ? 15.134 15.955 -6.799 1.00 23.13 ? 53 ILE B CD1 1 ATOM 3560 N N . GLN B 2 54 ? 17.308 11.366 -9.212 1.00 35.38 ? 54 GLN B N 1 ATOM 3561 C CA . GLN B 2 54 ? 17.472 10.544 -10.409 1.00 40.29 ? 54 GLN B CA 1 ATOM 3562 C C . GLN B 2 54 ? 17.433 9.056 -10.068 1.00 39.10 ? 54 GLN B C 1 ATOM 3563 O O . GLN B 2 54 ? 16.857 8.250 -10.807 1.00 36.04 ? 54 GLN B O 1 ATOM 3564 C CB . GLN B 2 54 ? 18.781 10.875 -11.126 1.00 41.95 ? 54 GLN B CB 1 ATOM 3565 C CG . GLN B 2 54 ? 19.068 9.944 -12.296 1.00 51.16 ? 54 GLN B CG 1 ATOM 3566 C CD . GLN B 2 54 ? 20.410 10.215 -12.974 1.00 63.27 ? 54 GLN B CD 1 ATOM 3567 O OE1 . GLN B 2 54 ? 21.312 10.827 -12.394 1.00 58.92 ? 54 GLN B OE1 1 ATOM 3568 N NE2 . GLN B 2 54 ? 20.539 9.759 -14.216 1.00 61.86 ? 54 GLN B NE2 1 ATOM 3569 N N . GLN B 2 55 ? 18.049 8.701 -8.946 1.00 29.41 ? 55 GLN B N 1 ATOM 3570 C CA . GLN B 2 55 ? 18.109 7.316 -8.524 1.00 27.86 ? 55 GLN B CA 1 ATOM 3571 C C . GLN B 2 55 ? 16.720 6.848 -8.102 1.00 28.41 ? 55 GLN B C 1 ATOM 3572 O O . GLN B 2 55 ? 16.292 5.746 -8.450 1.00 25.48 ? 55 GLN B O 1 ATOM 3573 C CB . GLN B 2 55 ? 19.113 7.135 -7.378 1.00 26.65 ? 55 GLN B CB 1 ATOM 3574 C CG . GLN B 2 55 ? 19.275 5.678 -6.947 1.00 30.71 ? 55 GLN B CG 1 ATOM 3575 C CD . GLN B 2 55 ? 20.200 5.491 -5.760 1.00 35.08 ? 55 GLN B CD 1 ATOM 3576 O OE1 . GLN B 2 55 ? 20.218 4.425 -5.144 1.00 38.75 ? 55 GLN B OE1 1 ATOM 3577 N NE2 . GLN B 2 55 ? 20.973 6.522 -5.433 1.00 33.99 ? 55 GLN B NE2 1 ATOM 3578 N N . LEU B 2 56 ? 16.017 7.701 -7.362 1.00 25.03 ? 56 LEU B N 1 ATOM 3579 C CA . LEU B 2 56 ? 14.681 7.373 -6.884 1.00 24.40 ? 56 LEU B CA 1 ATOM 3580 C C . LEU B 2 56 ? 13.718 7.163 -8.044 1.00 28.25 ? 56 LEU B C 1 ATOM 3581 O O . LEU B 2 56 ? 12.899 6.243 -8.019 1.00 24.19 ? 56 LEU B O 1 ATOM 3582 C CB . LEU B 2 56 ? 14.149 8.466 -5.958 1.00 22.35 ? 56 LEU B CB 1 ATOM 3583 C CG . LEU B 2 56 ? 14.767 8.548 -4.564 1.00 22.85 ? 56 LEU B CG 1 ATOM 3584 C CD1 . LEU B 2 56 ? 13.998 9.536 -3.702 1.00 22.39 ? 56 LEU B CD1 1 ATOM 3585 C CD2 . LEU B 2 56 ? 14.820 7.181 -3.906 1.00 18.70 ? 56 LEU B CD2 1 ATOM 3586 N N . ARG B 2 57 ? 13.833 8.015 -9.062 1.00 28.73 ? 57 ARG B N 1 ATOM 3587 C CA . ARG B 2 57 ? 12.968 7.945 -10.230 1.00 27.53 ? 57 ARG B CA 1 ATOM 3588 C C . ARG B 2 57 ? 13.219 6.664 -11.001 1.00 28.65 ? 57 ARG B C 1 ATOM 3589 O O . ARG B 2 57 ? 12.285 6.001 -11.449 1.00 30.11 ? 57 ARG B O 1 ATOM 3590 C CB . ARG B 2 57 ? 13.178 9.154 -11.149 1.00 31.58 ? 57 ARG B CB 1 ATOM 3591 C CG . ARG B 2 57 ? 11.882 9.695 -11.733 1.00 43.02 ? 57 ARG B CG 1 ATOM 3592 C CD . ARG B 2 57 ? 12.053 10.164 -13.175 1.00 51.75 ? 57 ARG B CD 1 ATOM 3593 N NE . ARG B 2 57 ? 13.082 11.196 -13.304 1.00 64.87 ? 57 ARG B NE 1 ATOM 3594 C CZ . ARG B 2 57 ? 13.966 11.254 -14.298 1.00 66.72 ? 57 ARG B CZ 1 ATOM 3595 N NH1 . ARG B 2 57 ? 13.950 10.337 -15.259 1.00 59.41 ? 57 ARG B NH1 1 ATOM 3596 N NH2 . ARG B 2 57 ? 14.867 12.230 -14.331 1.00 63.59 ? 57 ARG B NH2 1 ATOM 3597 N N . ASN B 2 58 ? 14.488 6.312 -11.152 1.00 27.86 ? 58 ASN B N 1 ATOM 3598 C CA . ASN B 2 58 ? 14.832 5.122 -11.905 1.00 30.20 ? 58 ASN B CA 1 ATOM 3599 C C . ASN B 2 58 ? 14.439 3.851 -11.150 1.00 27.22 ? 58 ASN B C 1 ATOM 3600 O O . ASN B 2 58 ? 14.126 2.832 -11.761 1.00 23.80 ? 58 ASN B O 1 ATOM 3601 C CB . ASN B 2 58 ? 16.322 5.103 -12.240 1.00 30.10 ? 58 ASN B CB 1 ATOM 3602 C CG . ASN B 2 58 ? 16.633 4.150 -13.360 1.00 35.23 ? 58 ASN B CG 1 ATOM 3603 O OD1 . ASN B 2 58 ? 16.365 4.440 -14.527 1.00 39.99 ? 58 ASN B OD1 1 ATOM 3604 N ND2 . ASN B 2 58 ? 17.176 2.990 -13.012 1.00 42.36 ? 58 ASN B ND2 1 ATOM 3605 N N . ASP B 2 59 ? 14.434 3.928 -9.821 1.00 32.96 ? 59 ASP B N 1 ATOM 3606 C CA . ASP B 2 59 ? 13.981 2.820 -8.981 1.00 32.73 ? 59 ASP B CA 1 ATOM 3607 C C . ASP B 2 59 ? 12.483 2.518 -9.122 1.00 32.25 ? 59 ASP B C 1 ATOM 3608 O O . ASP B 2 59 ? 12.020 1.489 -8.639 1.00 32.73 ? 59 ASP B O 1 ATOM 3609 C CB . ASP B 2 59 ? 14.289 3.096 -7.504 1.00 33.10 ? 59 ASP B CB 1 ATOM 3610 C CG . ASP B 2 59 ? 15.756 2.894 -7.152 1.00 32.30 ? 59 ASP B CG 1 ATOM 3611 O OD1 . ASP B 2 59 ? 16.490 2.242 -7.925 1.00 37.76 ? 59 ASP B OD1 1 ATOM 3612 O OD2 . ASP B 2 59 ? 16.168 3.370 -6.074 1.00 33.58 ? 59 ASP B OD2 1 ATOM 3613 N N . THR B 2 60 ? 11.723 3.408 -9.757 1.00 24.17 ? 60 THR B N 1 ATOM 3614 C CA . THR B 2 60 ? 10.292 3.159 -9.950 1.00 29.23 ? 60 THR B CA 1 ATOM 3615 C C . THR B 2 60 ? 10.042 2.076 -11.003 1.00 28.98 ? 60 THR B C 1 ATOM 3616 O O . THR B 2 60 ? 8.955 1.502 -11.056 1.00 29.01 ? 60 THR B O 1 ATOM 3617 C CB . THR B 2 60 ? 9.525 4.440 -10.360 1.00 26.21 ? 60 THR B CB 1 ATOM 3618 O OG1 . THR B 2 60 ? 9.959 4.875 -11.653 1.00 26.28 ? 60 THR B OG1 1 ATOM 3619 C CG2 . THR B 2 60 ? 9.760 5.554 -9.347 1.00 27.44 ? 60 THR B CG2 1 ATOM 3620 N N . ASN B 2 61 ? 11.053 1.790 -11.822 1.00 32.24 ? 61 ASN B N 1 ATOM 3621 C CA . ASN B 2 61 ? 10.933 0.795 -12.889 1.00 36.63 ? 61 ASN B CA 1 ATOM 3622 C C . ASN B 2 61 ? 10.573 -0.599 -12.391 1.00 33.11 ? 61 ASN B C 1 ATOM 3623 O O . ASN B 2 61 ? 9.871 -1.338 -13.070 1.00 39.85 ? 61 ASN B O 1 ATOM 3624 C CB . ASN B 2 61 ? 12.231 0.717 -13.701 1.00 37.93 ? 61 ASN B CB 1 ATOM 3625 C CG . ASN B 2 61 ? 12.525 2.000 -14.453 1.00 42.24 ? 61 ASN B CG 1 ATOM 3626 O OD1 . ASN B 2 61 ? 11.622 2.789 -14.740 1.00 40.23 ? 61 ASN B OD1 1 ATOM 3627 N ND2 . ASN B 2 61 ? 13.796 2.224 -14.765 1.00 43.22 ? 61 ASN B ND2 1 ATOM 3628 N N . ALA B 2 62 ? 11.050 -0.958 -11.208 1.00 29.66 ? 62 ALA B N 1 ATOM 3629 C CA . ALA B 2 62 ? 10.768 -2.278 -10.654 1.00 31.65 ? 62 ALA B CA 1 ATOM 3630 C C . ALA B 2 62 ? 9.266 -2.492 -10.465 1.00 28.97 ? 62 ALA B C 1 ATOM 3631 O O . ALA B 2 62 ? 8.732 -3.542 -10.825 1.00 29.26 ? 62 ALA B O 1 ATOM 3632 C CB . ALA B 2 62 ? 11.504 -2.470 -9.328 1.00 30.00 ? 62 ALA B CB 1 ATOM 3633 N N . ALA B 2 63 ? 8.590 -1.495 -9.899 1.00 28.88 ? 63 ALA B N 1 ATOM 3634 C CA . ALA B 2 63 ? 7.158 -1.608 -9.632 1.00 32.26 ? 63 ALA B CA 1 ATOM 3635 C C . ALA B 2 63 ? 6.354 -1.605 -10.936 1.00 32.07 ? 63 ALA B C 1 ATOM 3636 O O . ALA B 2 63 ? 5.347 -2.301 -11.061 1.00 30.83 ? 63 ALA B O 1 ATOM 3637 C CB . ALA B 2 63 ? 6.696 -0.486 -8.714 1.00 25.35 ? 63 ALA B CB 1 ATOM 3638 N N . ILE B 2 64 ? 6.828 -0.832 -11.906 1.00 34.70 ? 64 ILE B N 1 ATOM 3639 C CA . ILE B 2 64 ? 6.171 -0.696 -13.201 1.00 32.54 ? 64 ILE B CA 1 ATOM 3640 C C . ILE B 2 64 ? 6.357 -1.946 -14.071 1.00 32.90 ? 64 ILE B C 1 ATOM 3641 O O . ILE B 2 64 ? 5.426 -2.388 -14.750 1.00 29.10 ? 64 ILE B O 1 ATOM 3642 C CB . ILE B 2 64 ? 6.708 0.550 -13.938 1.00 33.69 ? 64 ILE B CB 1 ATOM 3643 C CG1 . ILE B 2 64 ? 6.383 1.805 -13.132 1.00 30.06 ? 64 ILE B CG1 1 ATOM 3644 C CG2 . ILE B 2 64 ? 6.134 0.662 -15.344 1.00 34.62 ? 64 ILE B CG2 1 ATOM 3645 C CD1 . ILE B 2 64 ? 7.136 3.018 -13.596 1.00 34.60 ? 64 ILE B CD1 1 ATOM 3646 N N . GLU B 2 65 ? 7.556 -2.517 -14.042 1.00 29.89 ? 65 GLU B N 1 ATOM 3647 C CA . GLU B 2 65 ? 7.842 -3.718 -14.820 1.00 31.62 ? 65 GLU B CA 1 ATOM 3648 C C . GLU B 2 65 ? 7.001 -4.893 -14.347 1.00 27.63 ? 65 GLU B C 1 ATOM 3649 O O . GLU B 2 65 ? 6.540 -5.703 -15.148 1.00 30.30 ? 65 GLU B O 1 ATOM 3650 C CB . GLU B 2 65 ? 9.325 -4.072 -14.736 1.00 31.71 ? 65 GLU B CB 1 ATOM 3651 C CG . GLU B 2 65 ? 10.222 -3.146 -15.527 1.00 34.35 ? 65 GLU B CG 1 ATOM 3652 C CD . GLU B 2 65 ? 11.676 -3.226 -15.099 1.00 37.47 ? 65 GLU B CD 1 ATOM 3653 O OE1 . GLU B 2 65 ? 12.496 -2.476 -15.670 1.00 38.26 ? 65 GLU B OE1 1 ATOM 3654 O OE2 . GLU B 2 65 ? 11.998 -4.030 -14.193 1.00 34.96 ? 65 GLU B OE2 1 ATOM 3655 N N . GLY B 2 66 ? 6.815 -4.987 -13.037 1.00 27.90 ? 66 GLY B N 1 ATOM 3656 C CA . GLY B 2 66 ? 5.952 -6.004 -12.468 1.00 25.04 ? 66 GLY B CA 1 ATOM 3657 C C . GLY B 2 66 ? 4.526 -5.868 -12.970 1.00 24.20 ? 66 GLY B C 1 ATOM 3658 O O . GLY B 2 66 ? 3.884 -6.864 -13.301 1.00 26.23 ? 66 GLY B O 1 ATOM 3659 N N . PHE B 2 67 ? 4.025 -4.638 -13.039 1.00 23.57 ? 67 PHE B N 1 ATOM 3660 C CA . PHE B 2 67 ? 2.667 -4.428 -13.533 1.00 26.33 ? 67 PHE B CA 1 ATOM 3661 C C . PHE B 2 67 ? 2.555 -4.749 -15.021 1.00 21.92 ? 67 PHE B C 1 ATOM 3662 O O . PHE B 2 67 ? 1.603 -5.402 -15.440 1.00 19.27 ? 67 PHE B O 1 ATOM 3663 C CB . PHE B 2 67 ? 2.192 -2.998 -13.287 1.00 20.61 ? 67 PHE B CB 1 ATOM 3664 C CG . PHE B 2 67 ? 0.836 -2.706 -13.880 1.00 19.83 ? 67 PHE B CG 1 ATOM 3665 C CD1 . PHE B 2 67 ? 0.715 -2.219 -15.174 1.00 18.54 ? 67 PHE B CD1 1 ATOM 3666 C CD2 . PHE B 2 67 ? -0.318 -2.914 -13.140 1.00 17.75 ? 67 PHE B CD2 1 ATOM 3667 C CE1 . PHE B 2 67 ? -0.540 -1.956 -15.717 1.00 21.80 ? 67 PHE B CE1 1 ATOM 3668 C CE2 . PHE B 2 67 ? -1.566 -2.647 -13.675 1.00 18.06 ? 67 PHE B CE2 1 ATOM 3669 C CZ . PHE B 2 67 ? -1.678 -2.168 -14.963 1.00 18.23 ? 67 PHE B CZ 1 ATOM 3670 N N . ASN B 2 68 ? 3.509 -4.275 -15.818 1.00 22.47 ? 68 ASN B N 1 ATOM 3671 C CA . ASN B 2 68 ? 3.461 -4.502 -17.260 1.00 21.39 ? 68 ASN B CA 1 ATOM 3672 C C . ASN B 2 68 ? 3.579 -5.987 -17.588 1.00 22.09 ? 68 ASN B C 1 ATOM 3673 O O . ASN B 2 68 ? 3.000 -6.459 -18.561 1.00 21.58 ? 68 ASN B O 1 ATOM 3674 C CB . ASN B 2 68 ? 4.568 -3.727 -17.980 1.00 17.13 ? 68 ASN B CB 1 ATOM 3675 C CG . ASN B 2 68 ? 4.272 -2.239 -18.094 1.00 22.02 ? 68 ASN B CG 1 ATOM 3676 O OD1 . ASN B 2 68 ? 3.124 -1.828 -18.233 1.00 20.97 ? 68 ASN B OD1 1 ATOM 3677 N ND2 . ASN B 2 68 ? 5.319 -1.426 -18.047 1.00 23.75 ? 68 ASN B ND2 1 ATOM 3678 N N . GLY B 2 69 ? 4.330 -6.720 -16.771 1.00 26.55 ? 69 GLY B N 1 ATOM 3679 C CA . GLY B 2 69 ? 4.572 -8.128 -17.023 1.00 21.87 ? 69 GLY B CA 1 ATOM 3680 C C . GLY B 2 69 ? 3.392 -9.020 -16.678 1.00 29.50 ? 69 GLY B C 1 ATOM 3681 O O . GLY B 2 69 ? 3.474 -10.239 -16.812 1.00 31.12 ? 69 GLY B O 1 ATOM 3682 N N . ARG B 2 70 ? 2.291 -8.416 -16.241 1.00 26.62 ? 70 ARG B N 1 ATOM 3683 C CA . ARG B 2 70 ? 1.135 -9.169 -15.777 1.00 25.87 ? 70 ARG B CA 1 ATOM 3684 C C . ARG B 2 70 ? -0.059 -8.972 -16.705 1.00 27.54 ? 70 ARG B C 1 ATOM 3685 O O . ARG B 2 70 ? -0.749 -7.958 -16.644 1.00 22.43 ? 70 ARG B O 1 ATOM 3686 C CB . ARG B 2 70 ? 0.777 -8.752 -14.349 1.00 29.37 ? 70 ARG B CB 1 ATOM 3687 C CG . ARG B 2 70 ? -0.307 -9.584 -13.698 1.00 29.22 ? 70 ARG B CG 1 ATOM 3688 C CD . ARG B 2 70 ? -0.189 -9.571 -12.161 1.00 34.99 ? 70 ARG B CD 1 ATOM 3689 N NE . ARG B 2 70 ? -0.051 -8.224 -11.596 1.00 40.83 ? 70 ARG B NE 1 ATOM 3690 C CZ . ARG B 2 70 ? 1.086 -7.735 -11.106 1.00 36.04 ? 70 ARG B CZ 1 ATOM 3691 N NH1 . ARG B 2 70 ? 2.176 -8.491 -11.100 1.00 39.45 ? 70 ARG B NH1 1 ATOM 3692 N NH2 . ARG B 2 70 ? 1.136 -6.504 -10.606 1.00 35.21 ? 70 ARG B NH2 1 ATOM 3693 N N . ILE B 2 71 ? -0.284 -9.946 -17.579 1.00 26.92 ? 71 ILE B N 1 ATOM 3694 C CA . ILE B 2 71 ? -1.385 -9.885 -18.533 1.00 24.67 ? 71 ILE B CA 1 ATOM 3695 C C . ILE B 2 71 ? -2.190 -11.178 -18.469 1.00 23.56 ? 71 ILE B C 1 ATOM 3696 O O . ILE B 2 71 ? -1.659 -12.252 -18.735 1.00 21.46 ? 71 ILE B O 1 ATOM 3697 C CB . ILE B 2 71 ? -0.882 -9.669 -19.979 1.00 20.00 ? 71 ILE B CB 1 ATOM 3698 C CG1 . ILE B 2 71 ? 0.256 -8.640 -20.014 1.00 22.45 ? 71 ILE B CG1 1 ATOM 3699 C CG2 . ILE B 2 71 ? -2.040 -9.280 -20.892 1.00 17.57 ? 71 ILE B CG2 1 ATOM 3700 C CD1 . ILE B 2 71 ? 0.846 -8.420 -21.396 1.00 24.53 ? 71 ILE B CD1 1 ATOM 3701 N N . ALA B 2 72 ? -3.472 -11.065 -18.137 1.00 17.82 ? 72 ALA B N 1 ATOM 3702 C CA . ALA B 2 72 ? -4.309 -12.237 -17.910 1.00 22.43 ? 72 ALA B CA 1 ATOM 3703 C C . ALA B 2 72 ? -4.584 -13.030 -19.188 1.00 23.17 ? 72 ALA B C 1 ATOM 3704 O O . ALA B 2 72 ? -4.950 -12.467 -20.228 1.00 17.49 ? 72 ALA B O 1 ATOM 3705 C CB . ALA B 2 72 ? -5.633 -11.820 -17.261 1.00 14.75 ? 72 ALA B CB 1 ATOM 3706 N N . HIS B 2 73 ? -4.416 -14.346 -19.102 1.00 22.40 ? 73 HIS B N 1 ATOM 3707 C CA . HIS B 2 73 ? -4.813 -15.214 -20.198 1.00 20.73 ? 73 HIS B CA 1 ATOM 3708 C C . HIS B 2 73 ? -6.312 -15.102 -20.475 1.00 23.15 ? 73 HIS B C 1 ATOM 3709 O O . HIS B 2 73 ? -7.112 -14.844 -19.570 1.00 21.75 ? 73 HIS B O 1 ATOM 3710 C CB . HIS B 2 73 ? -4.457 -16.666 -19.901 1.00 19.72 ? 73 HIS B CB 1 ATOM 3711 C CG . HIS B 2 73 ? -4.821 -17.602 -21.008 1.00 18.93 ? 73 HIS B CG 1 ATOM 3712 N ND1 . HIS B 2 73 ? -3.992 -17.838 -22.079 1.00 20.66 ? 73 HIS B ND1 1 ATOM 3713 C CD2 . HIS B 2 73 ? -5.943 -18.332 -21.225 1.00 19.94 ? 73 HIS B CD2 1 ATOM 3714 C CE1 . HIS B 2 73 ? -4.577 -18.703 -22.904 1.00 25.10 ? 73 HIS B CE1 1 ATOM 3715 N NE2 . HIS B 2 73 ? -5.763 -19.005 -22.405 1.00 22.85 ? 73 HIS B NE2 1 ATOM 3716 N N . ASP B 2 74 ? -6.690 -15.316 -21.727 1.00 20.65 ? 74 ASP B N 1 ATOM 3717 C CA . ASP B 2 74 ? -8.085 -15.209 -22.125 1.00 19.65 ? 74 ASP B CA 1 ATOM 3718 C C . ASP B 2 74 ? -8.331 -16.083 -23.357 1.00 16.74 ? 74 ASP B C 1 ATOM 3719 O O . ASP B 2 74 ? -7.390 -16.500 -24.034 1.00 17.26 ? 74 ASP B O 1 ATOM 3720 C CB . ASP B 2 74 ? -8.434 -13.737 -22.406 1.00 19.51 ? 74 ASP B CB 1 ATOM 3721 C CG . ASP B 2 74 ? -9.932 -13.498 -22.609 1.00 20.96 ? 74 ASP B CG 1 ATOM 3722 O OD1 . ASP B 2 74 ? -10.739 -14.444 -22.479 1.00 16.73 ? 74 ASP B OD1 1 ATOM 3723 O OD2 . ASP B 2 74 ? -10.301 -12.342 -22.885 1.00 21.15 ? 74 ASP B OD2 1 ATOM 3724 N N . GLU B 2 75 ? -9.595 -16.356 -23.646 1.00 9.77 ? 75 GLU B N 1 ATOM 3725 C CA . GLU B 2 75 ? -9.936 -17.073 -24.857 1.00 17.06 ? 75 GLU B CA 1 ATOM 3726 C C . GLU B 2 75 ? -11.388 -16.824 -25.212 1.00 17.08 ? 75 GLU B C 1 ATOM 3727 O O . GLU B 2 75 ? -12.293 -17.210 -24.475 1.00 21.77 ? 75 GLU B O 1 ATOM 3728 C CB . GLU B 2 75 ? -9.666 -18.575 -24.708 1.00 15.79 ? 75 GLU B CB 1 ATOM 3729 C CG . GLU B 2 75 ? -10.294 -19.394 -25.818 1.00 19.34 ? 75 GLU B CG 1 ATOM 3730 C CD . GLU B 2 75 ? -9.830 -20.846 -25.847 1.00 22.47 ? 75 GLU B CD 1 ATOM 3731 O OE1 . GLU B 2 75 ? -10.071 -21.493 -26.886 1.00 20.37 ? 75 GLU B OE1 1 ATOM 3732 O OE2 . GLU B 2 75 ? -9.242 -21.341 -24.849 1.00 17.26 ? 75 GLU B OE2 1 ATOM 3733 N N . GLN B 2 76 ? -11.601 -16.162 -26.344 1.00 22.35 ? 76 GLN B N 1 ATOM 3734 C CA . GLN B 2 76 ? -12.942 -15.862 -26.821 1.00 21.72 ? 76 GLN B CA 1 ATOM 3735 C C . GLN B 2 76 ? -13.128 -16.408 -28.229 1.00 23.85 ? 76 GLN B C 1 ATOM 3736 O O . GLN B 2 76 ? -12.335 -16.113 -29.122 1.00 23.05 ? 76 GLN B O 1 ATOM 3737 C CB . GLN B 2 76 ? -13.195 -14.349 -26.781 1.00 21.17 ? 76 GLN B CB 1 ATOM 3738 C CG . GLN B 2 76 ? -12.920 -13.727 -25.405 1.00 25.68 ? 76 GLN B CG 1 ATOM 3739 C CD . GLN B 2 76 ? -13.283 -12.247 -25.327 1.00 29.06 ? 76 GLN B CD 1 ATOM 3740 O OE1 . GLN B 2 76 ? -14.194 -11.782 -26.009 1.00 29.25 ? 76 GLN B OE1 1 ATOM 3741 N NE2 . GLN B 2 76 ? -12.547 -11.497 -24.508 1.00 19.02 ? 76 GLN B NE2 1 ATOM 3742 N N . ALA B 2 77 ? -14.163 -17.224 -28.414 1.00 23.09 ? 77 ALA B N 1 ATOM 3743 C CA . ALA B 2 77 ? -14.512 -17.757 -29.733 1.00 24.11 ? 77 ALA B CA 1 ATOM 3744 C C . ALA B 2 77 ? -15.555 -16.865 -30.398 1.00 20.38 ? 77 ALA B C 1 ATOM 3745 O O . ALA B 2 77 ? -15.787 -16.933 -31.602 1.00 20.62 ? 77 ALA B O 1 ATOM 3746 C CB . ALA B 2 77 ? -15.032 -19.183 -29.613 1.00 13.41 ? 77 ALA B CB 1 ATOM 3747 N N . ILE B 2 78 ? -16.175 -16.031 -29.576 1.00 22.31 ? 78 ILE B N 1 ATOM 3748 C CA . ILE B 2 78 ? -17.215 -15.092 -29.976 1.00 24.87 ? 78 ILE B CA 1 ATOM 3749 C C . ILE B 2 78 ? -16.776 -14.153 -31.118 1.00 26.94 ? 78 ILE B C 1 ATOM 3750 O O . ILE B 2 78 ? -15.605 -13.786 -31.207 1.00 27.01 ? 78 ILE B O 1 ATOM 3751 C CB . ILE B 2 78 ? -17.656 -14.299 -28.729 1.00 31.33 ? 78 ILE B CB 1 ATOM 3752 C CG1 . ILE B 2 78 ? -19.157 -14.458 -28.525 1.00 31.84 ? 78 ILE B CG1 1 ATOM 3753 C CG2 . ILE B 2 78 ? -17.136 -12.862 -28.734 1.00 28.30 ? 78 ILE B CG2 1 ATOM 3754 C CD1 . ILE B 2 78 ? -19.524 -15.901 -28.259 1.00 34.04 ? 78 ILE B CD1 1 ATOM 3755 N N . LYS B 2 79 ? -17.698 -13.796 -32.013 1.00 29.99 ? 79 LYS B N 1 ATOM 3756 C CA . LYS B 2 79 ? -17.331 -13.037 -33.221 1.00 33.05 ? 79 LYS B CA 1 ATOM 3757 C C . LYS B 2 79 ? -17.555 -11.528 -33.095 1.00 36.32 ? 79 LYS B C 1 ATOM 3758 O O . LYS B 2 79 ? -17.074 -10.745 -33.916 1.00 33.80 ? 79 LYS B O 1 ATOM 3759 C CB . LYS B 2 79 ? -18.106 -13.559 -34.432 1.00 29.64 ? 79 LYS B CB 1 ATOM 3760 C CG . LYS B 2 79 ? -18.014 -15.064 -34.596 1.00 38.20 ? 79 LYS B CG 1 ATOM 3761 C CD . LYS B 2 79 ? -17.292 -15.446 -35.871 1.00 40.12 ? 79 LYS B CD 1 ATOM 3762 C CE . LYS B 2 79 ? -15.860 -14.950 -35.892 1.00 32.56 ? 79 LYS B CE 1 ATOM 3763 N NZ . LYS B 2 79 ? -15.240 -15.237 -37.216 1.00 34.00 ? 79 LYS B NZ 1 ATOM 3764 N N . ASN B 2 80 ? -18.289 -11.123 -32.069 1.00 35.97 ? 80 ASN B N 1 ATOM 3765 C CA . ASN B 2 80 ? -18.546 -9.708 -31.850 1.00 39.10 ? 80 ASN B CA 1 ATOM 3766 C C . ASN B 2 80 ? -18.100 -9.281 -30.462 1.00 36.45 ? 80 ASN B C 1 ATOM 3767 O O . ASN B 2 80 ? -18.383 -9.950 -29.469 1.00 33.00 ? 80 ASN B O 1 ATOM 3768 C CB . ASN B 2 80 ? -20.028 -9.400 -32.063 1.00 37.37 ? 80 ASN B CB 1 ATOM 3769 C CG . ASN B 2 80 ? -20.570 -10.047 -33.325 1.00 40.08 ? 80 ASN B CG 1 ATOM 3770 O OD1 . ASN B 2 80 ? -20.384 -9.535 -34.429 1.00 41.57 ? 80 ASN B OD1 1 ATOM 3771 N ND2 . ASN B 2 80 ? -21.212 -11.197 -33.169 1.00 43.34 ? 80 ASN B ND2 1 ATOM 3772 N N . LEU B 2 81 ? -17.374 -8.171 -30.425 1.00 30.03 ? 81 LEU B N 1 ATOM 3773 C CA . LEU B 2 81 ? -16.809 -7.603 -29.205 1.00 30.62 ? 81 LEU B CA 1 ATOM 3774 C C . LEU B 2 81 ? -17.805 -7.536 -28.043 1.00 29.18 ? 81 LEU B C 1 ATOM 3775 O O . LEU B 2 81 ? -18.913 -7.025 -28.199 1.00 35.39 ? 81 LEU B O 1 ATOM 3776 C CB . LEU B 2 81 ? -16.286 -6.202 -29.520 1.00 28.62 ? 81 LEU B CB 1 ATOM 3777 C CG . LEU B 2 81 ? -15.360 -5.483 -28.558 1.00 31.65 ? 81 LEU B CG 1 ATOM 3778 C CD1 . LEU B 2 81 ? -13.995 -6.154 -28.515 1.00 22.68 ? 81 LEU B CD1 1 ATOM 3779 C CD2 . LEU B 2 81 ? -15.253 -4.055 -29.029 1.00 38.16 ? 81 LEU B CD2 1 ATOM 3780 N N . ALA B 2 82 ? -17.421 -8.072 -26.890 1.00 27.42 ? 82 ALA B N 1 ATOM 3781 C CA . ALA B 2 82 ? -18.204 -7.888 -25.667 1.00 30.53 ? 82 ALA B CA 1 ATOM 3782 C C . ALA B 2 82 ? -17.742 -6.598 -24.991 1.00 29.09 ? 82 ALA B C 1 ATOM 3783 O O . ALA B 2 82 ? -16.979 -6.627 -24.016 1.00 23.30 ? 82 ALA B O 1 ATOM 3784 C CB . ALA B 2 82 ? -18.048 -9.078 -24.731 1.00 22.63 ? 82 ALA B CB 1 ATOM 3785 N N . LYS B 2 83 ? -18.204 -5.472 -25.525 1.00 25.41 ? 83 LYS B N 1 ATOM 3786 C CA . LYS B 2 83 ? -17.636 -4.174 -25.184 1.00 24.38 ? 83 LYS B CA 1 ATOM 3787 C C . LYS B 2 83 ? -17.663 -3.879 -23.682 1.00 22.98 ? 83 LYS B C 1 ATOM 3788 O O . LYS B 2 83 ? -16.656 -3.455 -23.114 1.00 20.98 ? 83 LYS B O 1 ATOM 3789 C CB . LYS B 2 83 ? -18.365 -3.066 -25.948 1.00 24.70 ? 83 LYS B CB 1 ATOM 3790 C CG . LYS B 2 83 ? -17.766 -1.683 -25.728 1.00 34.48 ? 83 LYS B CG 1 ATOM 3791 C CD . LYS B 2 83 ? -18.465 -0.604 -26.543 1.00 33.81 ? 83 LYS B CD 1 ATOM 3792 C CE . LYS B 2 83 ? -17.675 0.706 -26.508 1.00 40.62 ? 83 LYS B CE 1 ATOM 3793 N NZ . LYS B 2 83 ? -17.501 1.260 -25.120 1.00 39.99 ? 83 LYS B NZ 1 ATOM 3794 N N . GLU B 2 84 ? -18.806 -4.117 -23.042 1.00 22.26 ? 84 GLU B N 1 ATOM 3795 C CA . GLU B 2 84 ? -18.981 -3.764 -21.628 1.00 22.54 ? 84 GLU B CA 1 ATOM 3796 C C . GLU B 2 84 ? -18.112 -4.593 -20.677 1.00 18.45 ? 84 GLU B C 1 ATOM 3797 O O . GLU B 2 84 ? -17.585 -4.054 -19.708 1.00 18.22 ? 84 GLU B O 1 ATOM 3798 C CB . GLU B 2 84 ? -20.454 -3.893 -21.228 1.00 21.40 ? 84 GLU B CB 1 ATOM 3799 C CG . GLU B 2 84 ? -21.366 -2.861 -21.894 1.00 22.01 ? 84 GLU B CG 1 ATOM 3800 C CD . GLU B 2 84 ? -21.882 -3.306 -23.260 1.00 29.98 ? 84 GLU B CD 1 ATOM 3801 O OE1 . GLU B 2 84 ? -21.405 -4.338 -23.790 1.00 29.17 ? 84 GLU B OE1 1 ATOM 3802 O OE2 . GLU B 2 84 ? -22.778 -2.624 -23.801 1.00 35.33 ? 84 GLU B OE2 1 ATOM 3803 N N . ILE B 2 85 ? -17.978 -5.889 -20.951 1.00 18.90 ? 85 ILE B N 1 ATOM 3804 C CA . ILE B 2 85 ? -17.057 -6.771 -20.217 1.00 24.03 ? 85 ILE B CA 1 ATOM 3805 C C . ILE B 2 85 ? -15.605 -6.350 -20.430 1.00 19.47 ? 85 ILE B C 1 ATOM 3806 O O . ILE B 2 85 ? -14.815 -6.233 -19.490 1.00 20.03 ? 85 ILE B O 1 ATOM 3807 C CB . ILE B 2 85 ? -17.210 -8.249 -20.660 1.00 22.87 ? 85 ILE B CB 1 ATOM 3808 C CG1 . ILE B 2 85 ? -18.628 -8.752 -20.390 1.00 24.89 ? 85 ILE B CG1 1 ATOM 3809 C CG2 . ILE B 2 85 ? -16.208 -9.149 -19.956 1.00 22.27 ? 85 ILE B CG2 1 ATOM 3810 C CD1 . ILE B 2 85 ? -18.862 -10.176 -20.884 1.00 24.21 ? 85 ILE B CD1 1 ATOM 3811 N N . GLU B 2 86 ? -15.272 -6.133 -21.690 1.00 23.80 ? 86 GLU B N 1 ATOM 3812 C CA . GLU B 2 86 ? -13.987 -5.581 -22.080 1.00 27.24 ? 86 GLU B CA 1 ATOM 3813 C C . GLU B 2 86 ? -13.656 -4.329 -21.237 1.00 27.00 ? 86 GLU B C 1 ATOM 3814 O O . GLU B 2 86 ? -12.640 -4.296 -20.540 1.00 26.18 ? 86 GLU B O 1 ATOM 3815 C CB . GLU B 2 86 ? -14.012 -5.252 -23.583 1.00 27.56 ? 86 GLU B CB 1 ATOM 3816 C CG . GLU B 2 86 ? -12.659 -5.200 -24.249 1.00 37.39 ? 86 GLU B CG 1 ATOM 3817 C CD . GLU B 2 86 ? -12.245 -6.515 -24.893 1.00 34.41 ? 86 GLU B CD 1 ATOM 3818 O OE1 . GLU B 2 86 ? -13.027 -7.493 -24.895 1.00 31.81 ? 86 GLU B OE1 1 ATOM 3819 O OE2 . GLU B 2 86 ? -11.114 -6.561 -25.409 1.00 44.06 ? 86 GLU B OE2 1 ATOM 3820 N N . ASP B 2 87 ? -14.538 -3.327 -21.270 1.00 20.34 ? 87 ASP B N 1 ATOM 3821 C CA . ASP B 2 87 ? -14.321 -2.078 -20.545 1.00 15.25 ? 87 ASP B CA 1 ATOM 3822 C C . ASP B 2 87 ? -14.229 -2.282 -19.024 1.00 17.34 ? 87 ASP B C 1 ATOM 3823 O O . ASP B 2 87 ? -13.451 -1.604 -18.353 1.00 18.03 ? 87 ASP B O 1 ATOM 3824 C CB . ASP B 2 87 ? -15.430 -1.073 -20.872 1.00 20.44 ? 87 ASP B CB 1 ATOM 3825 C CG . ASP B 2 87 ? -15.396 -0.604 -22.336 1.00 25.07 ? 87 ASP B CG 1 ATOM 3826 O OD1 . ASP B 2 87 ? -14.344 -0.735 -23.002 1.00 23.17 ? 87 ASP B OD1 1 ATOM 3827 O OD2 . ASP B 2 87 ? -16.427 -0.099 -22.825 1.00 21.87 ? 87 ASP B OD2 1 ATOM 3828 N N . ALA B 2 88 ? -14.996 -3.228 -18.486 1.00 16.70 ? 88 ALA B N 1 ATOM 3829 C CA . ALA B 2 88 ? -14.970 -3.518 -17.048 1.00 14.81 ? 88 ALA B CA 1 ATOM 3830 C C . ALA B 2 88 ? -13.614 -4.063 -16.598 1.00 16.84 ? 88 ALA B C 1 ATOM 3831 O O . ALA B 2 88 ? -13.091 -3.678 -15.549 1.00 17.21 ? 88 ALA B O 1 ATOM 3832 C CB . ALA B 2 88 ? -16.061 -4.491 -16.690 1.00 16.31 ? 88 ALA B CB 1 ATOM 3833 N N . ARG B 2 89 ? -13.046 -4.960 -17.394 1.00 23.70 ? 89 ARG B N 1 ATOM 3834 C CA . ARG B 2 89 ? -11.728 -5.500 -17.094 1.00 22.60 ? 89 ARG B CA 1 ATOM 3835 C C . ARG B 2 89 ? -10.662 -4.406 -17.093 1.00 22.05 ? 89 ARG B C 1 ATOM 3836 O O . ARG B 2 89 ? -9.816 -4.367 -16.202 1.00 22.21 ? 89 ARG B O 1 ATOM 3837 C CB . ARG B 2 89 ? -11.359 -6.590 -18.096 1.00 26.25 ? 89 ARG B CB 1 ATOM 3838 C CG . ARG B 2 89 ? -12.015 -7.920 -17.822 1.00 27.41 ? 89 ARG B CG 1 ATOM 3839 C CD . ARG B 2 89 ? -11.576 -8.945 -18.847 1.00 30.69 ? 89 ARG B CD 1 ATOM 3840 N NE . ARG B 2 89 ? -12.470 -10.090 -18.871 1.00 30.54 ? 89 ARG B NE 1 ATOM 3841 C CZ . ARG B 2 89 ? -12.640 -10.870 -19.928 1.00 36.89 ? 89 ARG B CZ 1 ATOM 3842 N NH1 . ARG B 2 89 ? -11.970 -10.625 -21.049 1.00 33.00 ? 89 ARG B NH1 1 ATOM 3843 N NH2 . ARG B 2 89 ? -13.474 -11.898 -19.859 1.00 40.14 ? 89 ARG B NH2 1 ATOM 3844 N N . ALA B 2 90 ? -10.716 -3.526 -18.092 1.00 11.56 ? 90 ALA B N 1 ATOM 3845 C CA . ALA B 2 90 ? -9.799 -2.396 -18.189 1.00 11.93 ? 90 ALA B CA 1 ATOM 3846 C C . ALA B 2 90 ? -9.870 -1.505 -16.954 1.00 13.14 ? 90 ALA B C 1 ATOM 3847 O O . ALA B 2 90 ? -8.839 -1.117 -16.395 1.00 12.24 ? 90 ALA B O 1 ATOM 3848 C CB . ALA B 2 90 ? -10.100 -1.576 -19.450 1.00 11.65 ? 90 ALA B CB 1 ATOM 3849 N N . GLU B 2 91 ? -11.101 -1.204 -16.539 1.00 15.33 ? 91 GLU B N 1 ATOM 3850 C CA . GLU B 2 91 ? -11.394 -0.324 -15.411 1.00 14.84 ? 91 GLU B CA 1 ATOM 3851 C C . GLU B 2 91 ? -10.807 -0.876 -14.114 1.00 16.58 ? 91 GLU B C 1 ATOM 3852 O O . GLU B 2 91 ? -10.280 -0.123 -13.291 1.00 18.50 ? 91 GLU B O 1 ATOM 3853 C CB . GLU B 2 91 ? -12.921 -0.124 -15.279 1.00 16.71 ? 91 GLU B CB 1 ATOM 3854 C CG . GLU B 2 91 ? -13.387 0.783 -14.131 1.00 15.58 ? 91 GLU B CG 1 ATOM 3855 C CD . GLU B 2 91 ? -14.914 1.013 -14.113 1.00 27.61 ? 91 GLU B CD 1 ATOM 3856 O OE1 . GLU B 2 91 ? -15.641 0.371 -14.910 1.00 28.96 ? 91 GLU B OE1 1 ATOM 3857 O OE2 . GLU B 2 91 ? -15.396 1.827 -13.289 1.00 22.80 ? 91 GLU B OE2 1 ATOM 3858 N N . ALA B 2 92 ? -10.895 -2.191 -13.947 1.00 9.88 ? 92 ALA B N 1 ATOM 3859 C CA . ALA B 2 92 ? -10.347 -2.872 -12.778 1.00 10.69 ? 92 ALA B CA 1 ATOM 3860 C C . ALA B 2 92 ? -8.826 -2.808 -12.796 1.00 11.60 ? 92 ALA B C 1 ATOM 3861 O O . ALA B 2 92 ? -8.194 -2.522 -11.784 1.00 10.00 ? 92 ALA B O 1 ATOM 3862 C CB . ALA B 2 92 ? -10.818 -4.333 -12.732 1.00 6.71 ? 92 ALA B CB 1 ATOM 3863 N N . LEU B 2 93 ? -8.250 -3.089 -13.960 1.00 15.90 ? 93 LEU B N 1 ATOM 3864 C CA . LEU B 2 93 ? -6.811 -3.011 -14.143 1.00 17.32 ? 93 LEU B CA 1 ATOM 3865 C C . LEU B 2 93 ? -6.321 -1.586 -13.876 1.00 21.78 ? 93 LEU B C 1 ATOM 3866 O O . LEU B 2 93 ? -5.307 -1.387 -13.213 1.00 21.49 ? 93 LEU B O 1 ATOM 3867 C CB . LEU B 2 93 ? -6.439 -3.462 -15.557 1.00 15.77 ? 93 LEU B CB 1 ATOM 3868 C CG . LEU B 2 93 ? -4.991 -3.823 -15.857 1.00 25.16 ? 93 LEU B CG 1 ATOM 3869 C CD1 . LEU B 2 93 ? -4.429 -4.702 -14.746 1.00 24.96 ? 93 LEU B CD1 1 ATOM 3870 C CD2 . LEU B 2 93 ? -4.931 -4.560 -17.183 1.00 23.34 ? 93 LEU B CD2 1 ATOM 3871 N N . VAL B 2 94 ? -7.060 -0.598 -14.382 1.00 17.94 ? 94 VAL B N 1 ATOM 3872 C CA . VAL B 2 94 ? -6.711 0.799 -14.170 1.00 17.28 ? 94 VAL B CA 1 ATOM 3873 C C . VAL B 2 94 ? -6.801 1.136 -12.685 1.00 19.36 ? 94 VAL B C 1 ATOM 3874 O O . VAL B 2 94 ? -5.951 1.849 -12.154 1.00 22.43 ? 94 VAL B O 1 ATOM 3875 C CB . VAL B 2 94 ? -7.623 1.739 -15.009 1.00 21.01 ? 94 VAL B CB 1 ATOM 3876 C CG1 . VAL B 2 94 ? -7.723 3.122 -14.381 1.00 23.68 ? 94 VAL B CG1 1 ATOM 3877 C CG2 . VAL B 2 94 ? -7.108 1.830 -16.444 1.00 21.29 ? 94 VAL B CG2 1 ATOM 3878 N N . GLY B 2 95 ? -7.814 0.594 -12.013 1.00 20.78 ? 95 GLY B N 1 ATOM 3879 C CA . GLY B 2 95 ? -7.957 0.766 -10.576 1.00 21.37 ? 95 GLY B CA 1 ATOM 3880 C C . GLY B 2 95 ? -6.752 0.207 -9.838 1.00 22.24 ? 95 GLY B C 1 ATOM 3881 O O . GLY B 2 95 ? -6.210 0.840 -8.929 1.00 22.25 ? 95 GLY B O 1 ATOM 3882 N N . GLU B 2 96 ? -6.318 -0.983 -10.240 1.00 21.10 ? 96 GLU B N 1 ATOM 3883 C CA . GLU B 2 96 ? -5.124 -1.573 -9.660 1.00 24.59 ? 96 GLU B CA 1 ATOM 3884 C C . GLU B 2 96 ? -3.907 -0.684 -9.919 1.00 24.61 ? 96 GLU B C 1 ATOM 3885 O O . GLU B 2 96 ? -3.128 -0.428 -9.007 1.00 21.86 ? 96 GLU B O 1 ATOM 3886 C CB . GLU B 2 96 ? -4.880 -2.974 -10.204 1.00 22.89 ? 96 GLU B CB 1 ATOM 3887 C CG . GLU B 2 96 ? -3.457 -3.456 -9.953 1.00 32.69 ? 96 GLU B CG 1 ATOM 3888 C CD . GLU B 2 96 ? -3.254 -4.936 -10.260 1.00 44.73 ? 96 GLU B CD 1 ATOM 3889 O OE1 . GLU B 2 96 ? -2.093 -5.398 -10.168 1.00 44.93 ? 96 GLU B OE1 1 ATOM 3890 O OE2 . GLU B 2 96 ? -4.248 -5.634 -10.580 1.00 47.05 ? 96 GLU B OE2 1 ATOM 3891 N N . LEU B 2 97 ? -3.763 -0.196 -11.149 1.00 16.44 ? 97 LEU B N 1 ATOM 3892 C CA . LEU B 2 97 ? -2.676 0.718 -11.477 1.00 17.37 ? 97 LEU B CA 1 ATOM 3893 C C . LEU B 2 97 ? -2.744 1.994 -10.622 1.00 23.26 ? 97 LEU B C 1 ATOM 3894 O O . LEU B 2 97 ? -1.717 2.566 -10.261 1.00 22.88 ? 97 LEU B O 1 ATOM 3895 C CB . LEU B 2 97 ? -2.712 1.068 -12.966 1.00 21.27 ? 97 LEU B CB 1 ATOM 3896 C CG . LEU B 2 97 ? -1.488 1.718 -13.611 1.00 22.37 ? 97 LEU B CG 1 ATOM 3897 C CD1 . LEU B 2 97 ? -0.233 0.905 -13.355 1.00 19.97 ? 97 LEU B CD1 1 ATOM 3898 C CD2 . LEU B 2 97 ? -1.713 1.891 -15.116 1.00 21.93 ? 97 LEU B CD2 1 ATOM 3899 N N . GLY B 2 98 ? -3.956 2.429 -10.288 1.00 22.42 ? 98 GLY B N 1 ATOM 3900 C CA . GLY B 2 98 ? -4.132 3.586 -9.429 1.00 20.57 ? 98 GLY B CA 1 ATOM 3901 C C . GLY B 2 98 ? -3.533 3.417 -8.041 1.00 20.34 ? 98 GLY B C 1 ATOM 3902 O O . GLY B 2 98 ? -2.904 4.328 -7.514 1.00 20.28 ? 98 GLY B O 1 ATOM 3903 N N . ILE B 2 99 ? -3.743 2.252 -7.442 1.00 21.41 ? 99 ILE B N 1 ATOM 3904 C CA . ILE B 2 99 ? -3.200 1.954 -6.119 1.00 22.78 ? 99 ILE B CA 1 ATOM 3905 C C . ILE B 2 99 ? -1.670 1.920 -6.143 1.00 20.14 ? 99 ILE B C 1 ATOM 3906 O O . ILE B 2 99 ? -1.017 2.524 -5.296 1.00 20.15 ? 99 ILE B O 1 ATOM 3907 C CB . ILE B 2 99 ? -3.732 0.604 -5.582 1.00 21.81 ? 99 ILE B CB 1 ATOM 3908 C CG1 . ILE B 2 99 ? -5.243 0.686 -5.320 1.00 24.09 ? 99 ILE B CG1 1 ATOM 3909 C CG2 . ILE B 2 99 ? -2.989 0.186 -4.332 1.00 18.63 ? 99 ILE B CG2 1 ATOM 3910 C CD1 . ILE B 2 99 ? -5.693 1.965 -4.612 1.00 28.11 ? 99 ILE B CD1 1 ATOM 3911 N N . ILE B 2 100 ? -1.111 1.209 -7.117 1.00 13.77 ? 100 ILE B N 1 ATOM 3912 C CA . ILE B 2 100 ? 0.336 1.119 -7.284 1.00 15.61 ? 100 ILE B CA 1 ATOM 3913 C C . ILE B 2 100 ? 0.974 2.512 -7.400 1.00 18.15 ? 100 ILE B C 1 ATOM 3914 O O . ILE B 2 100 ? 1.973 2.803 -6.735 1.00 14.33 ? 100 ILE B O 1 ATOM 3915 C CB . ILE B 2 100 ? 0.692 0.273 -8.524 1.00 16.88 ? 100 ILE B CB 1 ATOM 3916 C CG1 . ILE B 2 100 ? 0.405 -1.206 -8.239 1.00 20.30 ? 100 ILE B CG1 1 ATOM 3917 C CG2 . ILE B 2 100 ? 2.150 0.470 -8.911 1.00 14.17 ? 100 ILE B CG2 1 ATOM 3918 C CD1 . ILE B 2 100 ? 0.358 -2.094 -9.475 1.00 16.61 ? 100 ILE B CD1 1 ATOM 3919 N N . ARG B 2 101 ? 0.373 3.361 -8.238 1.00 20.60 ? 101 ARG B N 1 ATOM 3920 C CA . ARG B 2 101 ? 0.762 4.758 -8.365 1.00 19.45 ? 101 ARG B CA 1 ATOM 3921 C C . ARG B 2 101 ? 0.859 5.454 -7.020 1.00 21.40 ? 101 ARG B C 1 ATOM 3922 O O . ARG B 2 101 ? 1.885 6.052 -6.696 1.00 21.56 ? 101 ARG B O 1 ATOM 3923 C CB . ARG B 2 101 ? -0.234 5.527 -9.238 1.00 21.62 ? 101 ARG B CB 1 ATOM 3924 C CG . ARG B 2 101 ? 0.103 7.020 -9.370 1.00 26.66 ? 101 ARG B CG 1 ATOM 3925 C CD . ARG B 2 101 ? -1.148 7.877 -9.516 1.00 29.61 ? 101 ARG B CD 1 ATOM 3926 N NE . ARG B 2 101 ? -0.998 9.224 -8.957 1.00 44.97 ? 101 ARG B NE 1 ATOM 3927 C CZ . ARG B 2 101 ? -0.293 10.207 -9.518 1.00 41.65 ? 101 ARG B CZ 1 ATOM 3928 N NH1 . ARG B 2 101 ? 0.354 10.014 -10.646 1.00 34.60 ? 101 ARG B NH1 1 ATOM 3929 N NH2 . ARG B 2 101 ? -0.235 11.392 -8.943 1.00 40.26 ? 101 ARG B NH2 1 ATOM 3930 N N . SER B 2 102 ? -0.226 5.392 -6.254 1.00 20.84 ? 102 SER B N 1 ATOM 3931 C CA . SER B 2 102 ? -0.272 6.006 -4.937 1.00 22.13 ? 102 SER B CA 1 ATOM 3932 C C . SER B 2 102 ? 0.829 5.469 -4.043 1.00 19.90 ? 102 SER B C 1 ATOM 3933 O O . SER B 2 102 ? 1.413 6.218 -3.271 1.00 20.83 ? 102 SER B O 1 ATOM 3934 C CB . SER B 2 102 ? -1.632 5.785 -4.283 1.00 19.32 ? 102 SER B CB 1 ATOM 3935 O OG . SER B 2 102 ? -2.624 6.447 -5.037 1.00 21.38 ? 102 SER B OG 1 ATOM 3936 N N . LEU B 2 103 ? 1.117 4.178 -4.151 1.00 12.71 ? 103 LEU B N 1 ATOM 3937 C CA . LEU B 2 103 ? 2.205 3.599 -3.380 1.00 14.08 ? 103 LEU B CA 1 ATOM 3938 C C . LEU B 2 103 ? 3.571 4.116 -3.854 1.00 18.42 ? 103 LEU B C 1 ATOM 3939 O O . LEU B 2 103 ? 4.434 4.433 -3.030 1.00 17.52 ? 103 LEU B O 1 ATOM 3940 C CB . LEU B 2 103 ? 2.153 2.077 -3.445 1.00 16.15 ? 103 LEU B CB 1 ATOM 3941 C CG . LEU B 2 103 ? 0.946 1.456 -2.726 1.00 15.74 ? 103 LEU B CG 1 ATOM 3942 C CD1 . LEU B 2 103 ? 0.973 -0.064 -2.821 1.00 9.87 ? 103 LEU B CD1 1 ATOM 3943 C CD2 . LEU B 2 103 ? 0.886 1.915 -1.250 1.00 13.56 ? 103 LEU B CD2 1 ATOM 3944 N N . ILE B 2 104 ? 3.761 4.225 -5.168 1.00 15.43 ? 104 ILE B N 1 ATOM 3945 C CA . ILE B 2 104 ? 5.044 4.689 -5.701 1.00 21.64 ? 104 ILE B CA 1 ATOM 3946 C C . ILE B 2 104 ? 5.323 6.159 -5.333 1.00 17.91 ? 104 ILE B C 1 ATOM 3947 O O . ILE B 2 104 ? 6.438 6.500 -4.961 1.00 19.86 ? 104 ILE B O 1 ATOM 3948 C CB . ILE B 2 104 ? 5.122 4.535 -7.233 1.00 17.14 ? 104 ILE B CB 1 ATOM 3949 C CG1 . ILE B 2 104 ? 5.157 3.063 -7.634 1.00 17.78 ? 104 ILE B CG1 1 ATOM 3950 C CG2 . ILE B 2 104 ? 6.363 5.228 -7.780 1.00 12.30 ? 104 ILE B CG2 1 ATOM 3951 C CD1 . ILE B 2 104 ? 5.218 2.869 -9.145 1.00 14.55 ? 104 ILE B CD1 1 ATOM 3952 N N . VAL B 2 105 ? 4.305 7.010 -5.432 1.00 17.54 ? 105 VAL B N 1 ATOM 3953 C CA . VAL B 2 105 ? 4.439 8.423 -5.095 1.00 19.45 ? 105 VAL B CA 1 ATOM 3954 C C . VAL B 2 105 ? 4.855 8.583 -3.639 1.00 19.17 ? 105 VAL B C 1 ATOM 3955 O O . VAL B 2 105 ? 5.762 9.350 -3.328 1.00 19.71 ? 105 VAL B O 1 ATOM 3956 C CB . VAL B 2 105 ? 3.126 9.206 -5.351 1.00 19.29 ? 105 VAL B CB 1 ATOM 3957 C CG1 . VAL B 2 105 ? 3.123 10.541 -4.612 1.00 21.24 ? 105 VAL B CG1 1 ATOM 3958 C CG2 . VAL B 2 105 ? 2.934 9.441 -6.837 1.00 25.66 ? 105 VAL B CG2 1 ATOM 3959 N N . ALA B 2 106 ? 4.209 7.836 -2.757 1.00 16.13 ? 106 ALA B N 1 ATOM 3960 C CA . ALA B 2 106 ? 4.554 7.863 -1.348 1.00 16.50 ? 106 ALA B CA 1 ATOM 3961 C C . ALA B 2 106 ? 5.952 7.321 -1.123 1.00 18.79 ? 106 ALA B C 1 ATOM 3962 O O . ALA B 2 106 ? 6.691 7.800 -0.258 1.00 17.70 ? 106 ALA B O 1 ATOM 3963 C CB . ALA B 2 106 ? 3.560 7.068 -0.551 1.00 19.26 ? 106 ALA B CB 1 ATOM 3964 N N . ASN B 2 107 ? 6.310 6.311 -1.905 1.00 18.69 ? 107 ASN B N 1 ATOM 3965 C CA . ASN B 2 107 ? 7.602 5.687 -1.747 1.00 19.08 ? 107 ASN B CA 1 ATOM 3966 C C . ASN B 2 107 ? 8.705 6.670 -2.149 1.00 21.51 ? 107 ASN B C 1 ATOM 3967 O O . ASN B 2 107 ? 9.740 6.739 -1.493 1.00 18.17 ? 107 ASN B O 1 ATOM 3968 C CB . ASN B 2 107 ? 7.692 4.391 -2.558 1.00 19.57 ? 107 ASN B CB 1 ATOM 3969 C CG . ASN B 2 107 ? 8.917 3.581 -2.201 1.00 21.66 ? 107 ASN B CG 1 ATOM 3970 O OD1 . ASN B 2 107 ? 9.340 3.565 -1.037 1.00 21.42 ? 107 ASN B OD1 1 ATOM 3971 N ND2 . ASN B 2 107 ? 9.505 2.912 -3.193 1.00 19.95 ? 107 ASN B ND2 1 ATOM 3972 N N . ILE B 2 108 ? 8.469 7.442 -3.212 1.00 22.64 ? 108 ILE B N 1 ATOM 3973 C CA . ILE B 2 108 ? 9.398 8.504 -3.604 1.00 24.72 ? 108 ILE B CA 1 ATOM 3974 C C . ILE B 2 108 ? 9.436 9.627 -2.562 1.00 27.81 ? 108 ILE B C 1 ATOM 3975 O O . ILE B 2 108 ? 10.503 10.099 -2.173 1.00 25.78 ? 108 ILE B O 1 ATOM 3976 C CB . ILE B 2 108 ? 9.024 9.109 -4.957 1.00 27.52 ? 108 ILE B CB 1 ATOM 3977 C CG1 . ILE B 2 108 ? 9.192 8.068 -6.066 1.00 22.59 ? 108 ILE B CG1 1 ATOM 3978 C CG2 . ILE B 2 108 ? 9.865 10.354 -5.237 1.00 21.90 ? 108 ILE B CG2 1 ATOM 3979 C CD1 . ILE B 2 108 ? 8.509 8.468 -7.353 1.00 25.61 ? 108 ILE B CD1 1 ATOM 3980 N N . SER B 2 109 ? 8.255 10.038 -2.114 1.00 21.35 ? 109 SER B N 1 ATOM 3981 C CA . SER B 2 109 ? 8.124 11.094 -1.127 1.00 23.83 ? 109 SER B CA 1 ATOM 3982 C C . SER B 2 109 ? 8.946 10.796 0.109 1.00 25.25 ? 109 SER B C 1 ATOM 3983 O O . SER B 2 109 ? 9.737 11.625 0.571 1.00 22.19 ? 109 SER B O 1 ATOM 3984 C CB . SER B 2 109 ? 6.664 11.270 -0.726 1.00 21.74 ? 109 SER B CB 1 ATOM 3985 O OG . SER B 2 109 ? 6.534 12.284 0.253 1.00 21.46 ? 109 SER B OG 1 ATOM 3986 N N . MET B 2 110 ? 8.743 9.596 0.636 1.00 24.95 ? 110 MET B N 1 ATOM 3987 C CA . MET B 2 110 ? 9.356 9.203 1.893 1.00 23.95 ? 110 MET B CA 1 ATOM 3988 C C . MET B 2 110 ? 10.864 9.020 1.761 1.00 25.44 ? 110 MET B C 1 ATOM 3989 O O . MET B 2 110 ? 11.615 9.465 2.623 1.00 25.37 ? 110 MET B O 1 ATOM 3990 C CB . MET B 2 110 ? 8.701 7.919 2.430 1.00 26.22 ? 110 MET B CB 1 ATOM 3991 C CG . MET B 2 110 ? 9.305 7.415 3.741 1.00 29.14 ? 110 MET B CG 1 ATOM 3992 S SD . MET B 2 110 ? 10.574 6.182 3.395 1.00 43.64 ? 110 MET B SD 1 ATOM 3993 C CE . MET B 2 110 ? 11.062 5.692 5.030 1.00 46.95 ? 110 MET B CE 1 ATOM 3994 N N . ASN B 2 111 ? 11.308 8.362 0.696 1.00 23.52 ? 111 ASN B N 1 ATOM 3995 C CA . ASN B 2 111 ? 12.733 8.158 0.488 1.00 25.33 ? 111 ASN B CA 1 ATOM 3996 C C . ASN B 2 111 ? 13.496 9.442 0.125 1.00 28.01 ? 111 ASN B C 1 ATOM 3997 O O . ASN B 2 111 ? 14.692 9.570 0.421 1.00 27.25 ? 111 ASN B O 1 ATOM 3998 C CB . ASN B 2 111 ? 12.939 7.098 -0.580 1.00 21.05 ? 111 ASN B CB 1 ATOM 3999 C CG . ASN B 2 111 ? 12.872 5.701 -0.012 1.00 24.99 ? 111 ASN B CG 1 ATOM 4000 O OD1 . ASN B 2 111 ? 13.781 5.269 0.698 1.00 27.17 ? 111 ASN B OD1 1 ATOM 4001 N ND2 . ASN B 2 111 ? 11.784 4.997 -0.289 1.00 20.46 ? 111 ASN B ND2 1 ATOM 4002 N N . LEU B 2 112 ? 12.808 10.390 -0.505 1.00 24.89 ? 112 LEU B N 1 ATOM 4003 C CA . LEU B 2 112 ? 13.416 11.685 -0.812 1.00 26.79 ? 112 LEU B CA 1 ATOM 4004 C C . LEU B 2 112 ? 13.591 12.502 0.462 1.00 28.39 ? 112 LEU B C 1 ATOM 4005 O O . LEU B 2 112 ? 14.646 13.092 0.701 1.00 27.52 ? 112 LEU B O 1 ATOM 4006 C CB . LEU B 2 112 ? 12.571 12.463 -1.818 1.00 21.23 ? 112 LEU B CB 1 ATOM 4007 C CG . LEU B 2 112 ? 13.104 13.857 -2.151 1.00 25.33 ? 112 LEU B CG 1 ATOM 4008 C CD1 . LEU B 2 112 ? 14.525 13.775 -2.685 1.00 27.58 ? 112 LEU B CD1 1 ATOM 4009 C CD2 . LEU B 2 112 ? 12.195 14.542 -3.146 1.00 24.29 ? 112 LEU B CD2 1 ATOM 4010 N N . LYS B 2 113 ? 12.541 12.526 1.275 1.00 26.69 ? 113 LYS B N 1 ATOM 4011 C CA . LYS B 2 113 ? 12.589 13.162 2.581 1.00 24.42 ? 113 LYS B CA 1 ATOM 4012 C C . LYS B 2 113 ? 13.714 12.565 3.435 1.00 25.51 ? 113 LYS B C 1 ATOM 4013 O O . LYS B 2 113 ? 14.421 13.292 4.124 1.00 24.26 ? 113 LYS B O 1 ATOM 4014 C CB . LYS B 2 113 ? 11.229 13.027 3.272 1.00 21.62 ? 113 LYS B CB 1 ATOM 4015 C CG . LYS B 2 113 ? 11.260 13.020 4.785 1.00 27.18 ? 113 LYS B CG 1 ATOM 4016 C CD . LYS B 2 113 ? 9.843 13.084 5.353 1.00 32.56 ? 113 LYS B CD 1 ATOM 4017 C CE . LYS B 2 113 ? 9.732 12.383 6.702 1.00 38.82 ? 113 LYS B CE 1 ATOM 4018 N NZ . LYS B 2 113 ? 9.692 10.895 6.573 1.00 39.37 ? 113 LYS B NZ 1 ATOM 4019 N N . GLU B 2 114 ? 13.898 11.246 3.369 1.00 25.40 ? 114 GLU B N 1 ATOM 4020 C CA . GLU B 2 114 ? 14.975 10.600 4.114 1.00 23.98 ? 114 GLU B CA 1 ATOM 4021 C C . GLU B 2 114 ? 16.337 11.003 3.541 1.00 25.57 ? 114 GLU B C 1 ATOM 4022 O O . GLU B 2 114 ? 17.305 11.168 4.281 1.00 25.64 ? 114 GLU B O 1 ATOM 4023 C CB . GLU B 2 114 ? 14.812 9.081 4.098 1.00 23.14 ? 114 GLU B CB 1 ATOM 4024 C CG . GLU B 2 114 ? 13.716 8.561 5.014 1.00 27.62 ? 114 GLU B CG 1 ATOM 4025 C CD . GLU B 2 114 ? 14.095 8.606 6.487 1.00 34.72 ? 114 GLU B CD 1 ATOM 4026 O OE1 . GLU B 2 114 ? 15.291 8.430 6.805 1.00 39.58 ? 114 GLU B OE1 1 ATOM 4027 O OE2 . GLU B 2 114 ? 13.197 8.811 7.330 1.00 35.09 ? 114 GLU B OE2 1 ATOM 4028 N N . SER B 2 115 ? 16.400 11.184 2.225 1.00 23.85 ? 115 SER B N 1 ATOM 4029 C CA . SER B 2 115 ? 17.625 11.643 1.575 1.00 25.86 ? 115 SER B CA 1 ATOM 4030 C C . SER B 2 115 ? 17.923 13.086 1.975 1.00 27.41 ? 115 SER B C 1 ATOM 4031 O O . SER B 2 115 ? 19.083 13.485 2.089 1.00 27.47 ? 115 SER B O 1 ATOM 4032 C CB . SER B 2 115 ? 17.515 11.525 0.051 1.00 23.14 ? 115 SER B CB 1 ATOM 4033 O OG . SER B 2 115 ? 17.383 10.170 -0.342 1.00 28.24 ? 115 SER B OG 1 ATOM 4034 N N . LEU B 2 116 ? 16.868 13.862 2.198 1.00 20.36 ? 116 LEU B N 1 ATOM 4035 C CA . LEU B 2 116 ? 17.032 15.236 2.644 1.00 24.28 ? 116 LEU B CA 1 ATOM 4036 C C . LEU B 2 116 ? 17.469 15.264 4.108 1.00 26.05 ? 116 LEU B C 1 ATOM 4037 O O . LEU B 2 116 ? 18.229 16.142 4.513 1.00 30.86 ? 116 LEU B O 1 ATOM 4038 C CB . LEU B 2 116 ? 15.734 16.029 2.442 1.00 24.71 ? 116 LEU B CB 1 ATOM 4039 C CG . LEU B 2 116 ? 15.410 16.375 0.982 1.00 31.86 ? 116 LEU B CG 1 ATOM 4040 C CD1 . LEU B 2 116 ? 13.956 16.817 0.794 1.00 22.38 ? 116 LEU B CD1 1 ATOM 4041 C CD2 . LEU B 2 116 ? 16.365 17.451 0.470 1.00 23.56 ? 116 LEU B CD2 1 ATOM 4042 N N . TYR B 2 117 ? 16.998 14.305 4.901 1.00 29.26 ? 117 TYR B N 1 ATOM 4043 C CA . TYR B 2 117 ? 17.446 14.199 6.293 1.00 34.88 ? 117 TYR B CA 1 ATOM 4044 C C . TYR B 2 117 ? 18.923 13.819 6.334 1.00 32.74 ? 117 TYR B C 1 ATOM 4045 O O . TYR B 2 117 ? 19.646 14.245 7.230 1.00 35.99 ? 117 TYR B O 1 ATOM 4046 C CB . TYR B 2 117 ? 16.627 13.167 7.087 1.00 32.83 ? 117 TYR B CB 1 ATOM 4047 C CG . TYR B 2 117 ? 15.200 13.577 7.408 1.00 35.36 ? 117 TYR B CG 1 ATOM 4048 C CD1 . TYR B 2 117 ? 14.688 14.802 6.991 1.00 32.25 ? 117 TYR B CD1 1 ATOM 4049 C CD2 . TYR B 2 117 ? 14.366 12.730 8.126 1.00 36.39 ? 117 TYR B CD2 1 ATOM 4050 C CE1 . TYR B 2 117 ? 13.388 15.166 7.281 1.00 37.15 ? 117 TYR B CE1 1 ATOM 4051 C CE2 . TYR B 2 117 ? 13.068 13.083 8.420 1.00 39.57 ? 117 TYR B CE2 1 ATOM 4052 C CZ . TYR B 2 117 ? 12.582 14.303 8.000 1.00 41.08 ? 117 TYR B CZ 1 ATOM 4053 O OH . TYR B 2 117 ? 11.287 14.654 8.300 1.00 40.92 ? 117 TYR B OH 1 ATOM 4054 N N . GLU B 2 118 ? 19.361 13.013 5.368 1.00 26.79 ? 118 GLU B N 1 ATOM 4055 C CA . GLU B 2 118 ? 20.757 12.589 5.303 1.00 29.61 ? 118 GLU B CA 1 ATOM 4056 C C . GLU B 2 118 ? 21.641 13.766 4.900 1.00 30.01 ? 118 GLU B C 1 ATOM 4057 O O . GLU B 2 118 ? 22.757 13.911 5.389 1.00 29.72 ? 118 GLU B O 1 ATOM 4058 C CB . GLU B 2 118 ? 20.929 11.420 4.329 1.00 26.54 ? 118 GLU B CB 1 ATOM 4059 C CG . GLU B 2 118 ? 20.394 10.087 4.864 1.00 30.06 ? 118 GLU B CG 1 ATOM 4060 C CD . GLU B 2 118 ? 19.933 9.140 3.759 1.00 30.46 ? 118 GLU B CD 1 ATOM 4061 O OE1 . GLU B 2 118 ? 20.239 9.406 2.578 1.00 28.12 ? 118 GLU B OE1 1 ATOM 4062 O OE2 . GLU B 2 118 ? 19.242 8.139 4.069 1.00 30.01 ? 118 GLU B OE2 1 ATOM 4063 N N . LEU B 2 119 ? 21.126 14.616 4.021 1.00 31.91 ? 119 LEU B N 1 ATOM 4064 C CA . LEU B 2 119 ? 21.837 15.826 3.634 1.00 31.18 ? 119 LEU B CA 1 ATOM 4065 C C . LEU B 2 119 ? 22.058 16.724 4.854 1.00 34.73 ? 119 LEU B C 1 ATOM 4066 O O . LEU B 2 119 ? 23.184 17.132 5.134 1.00 31.11 ? 119 LEU B O 1 ATOM 4067 C CB . LEU B 2 119 ? 21.067 16.579 2.548 1.00 32.40 ? 119 LEU B CB 1 ATOM 4068 C CG . LEU B 2 119 ? 21.733 17.837 1.981 1.00 40.07 ? 119 LEU B CG 1 ATOM 4069 C CD1 . LEU B 2 119 ? 22.984 17.481 1.188 1.00 43.40 ? 119 LEU B CD1 1 ATOM 4070 C CD2 . LEU B 2 119 ? 20.762 18.616 1.112 1.00 39.31 ? 119 LEU B CD2 1 ATOM 4071 N N . ALA B 2 120 ? 20.982 17.007 5.586 1.00 26.36 ? 120 ALA B N 1 ATOM 4072 C CA . ALA B 2 120 ? 21.058 17.849 6.773 1.00 27.47 ? 120 ALA B CA 1 ATOM 4073 C C . ALA B 2 120 ? 21.984 17.246 7.833 1.00 28.97 ? 120 ALA B C 1 ATOM 4074 O O . ALA B 2 120 ? 22.735 17.961 8.491 1.00 27.66 ? 120 ALA B O 1 ATOM 4075 C CB . ALA B 2 120 ? 19.666 18.080 7.351 1.00 21.30 ? 120 ALA B CB 1 ATOM 4076 N N . ASN B 2 121 ? 21.934 15.930 7.985 1.00 33.04 ? 121 ASN B N 1 ATOM 4077 C CA . ASN B 2 121 ? 22.736 15.260 8.997 1.00 33.86 ? 121 ASN B CA 1 ATOM 4078 C C . ASN B 2 121 ? 24.234 15.379 8.742 1.00 37.01 ? 121 ASN B C 1 ATOM 4079 O O . ASN B 2 121 ? 25.022 15.495 9.679 1.00 38.11 ? 121 ASN B O 1 ATOM 4080 C CB . ASN B 2 121 ? 22.354 13.791 9.086 1.00 34.85 ? 121 ASN B CB 1 ATOM 4081 C CG . ASN B 2 121 ? 23.095 13.072 10.187 1.00 39.17 ? 121 ASN B CG 1 ATOM 4082 O OD1 . ASN B 2 121 ? 24.067 12.356 9.934 1.00 40.49 ? 121 ASN B OD1 1 ATOM 4083 N ND2 . ASN B 2 121 ? 22.649 13.267 11.422 1.00 32.35 ? 121 ASN B ND2 1 ATOM 4084 N N . GLN B 2 122 ? 24.624 15.345 7.473 1.00 35.56 ? 122 GLN B N 1 ATOM 4085 C CA . GLN B 2 122 ? 26.020 15.529 7.107 1.00 35.70 ? 122 GLN B CA 1 ATOM 4086 C C . GLN B 2 122 ? 26.485 16.952 7.426 1.00 42.08 ? 122 GLN B C 1 ATOM 4087 O O . GLN B 2 122 ? 27.606 17.153 7.895 1.00 40.06 ? 122 GLN B O 1 ATOM 4088 C CB . GLN B 2 122 ? 26.231 15.219 5.628 1.00 33.58 ? 122 GLN B CB 1 ATOM 4089 C CG . GLN B 2 122 ? 26.260 13.734 5.324 1.00 44.97 ? 122 GLN B CG 1 ATOM 4090 C CD . GLN B 2 122 ? 25.905 13.428 3.882 1.00 53.74 ? 122 GLN B CD 1 ATOM 4091 O OE1 . GLN B 2 122 ? 26.560 13.906 2.951 1.00 63.33 ? 122 GLN B OE1 1 ATOM 4092 N NE2 . GLN B 2 122 ? 24.846 12.643 3.688 1.00 44.36 ? 122 GLN B NE2 1 ATOM 4093 N N . ILE B 2 123 ? 25.614 17.926 7.167 1.00 29.53 ? 123 ILE B N 1 ATOM 4094 C CA . ILE B 2 123 ? 25.889 19.319 7.483 1.00 30.17 ? 123 ILE B CA 1 ATOM 4095 C C . ILE B 2 123 ? 26.068 19.505 8.993 1.00 37.39 ? 123 ILE B C 1 ATOM 4096 O O . ILE B 2 123 ? 26.991 20.192 9.423 1.00 40.67 ? 123 ILE B O 1 ATOM 4097 C CB . ILE B 2 123 ? 24.766 20.240 6.962 1.00 31.04 ? 123 ILE B CB 1 ATOM 4098 C CG1 . ILE B 2 123 ? 24.810 20.315 5.430 1.00 31.26 ? 123 ILE B CG1 1 ATOM 4099 C CG2 . ILE B 2 123 ? 24.881 21.629 7.568 1.00 32.69 ? 123 ILE B CG2 1 ATOM 4100 C CD1 . ILE B 2 123 ? 23.721 21.173 4.816 1.00 28.02 ? 123 ILE B CD1 1 ATOM 4101 N N . THR B 2 124 ? 25.204 18.880 9.793 1.00 38.36 ? 124 THR B N 1 ATOM 4102 C CA . THR B 2 124 ? 25.327 18.943 11.249 1.00 37.53 ? 124 THR B CA 1 ATOM 4103 C C . THR B 2 124 ? 26.702 18.455 11.691 1.00 40.56 ? 124 THR B C 1 ATOM 4104 O O . THR B 2 124 ? 27.369 19.098 12.497 1.00 47.47 ? 124 THR B O 1 ATOM 4105 C CB . THR B 2 124 ? 24.246 18.099 11.971 1.00 36.36 ? 124 THR B CB 1 ATOM 4106 O OG1 . THR B 2 124 ? 22.950 18.664 11.747 1.00 36.79 ? 124 THR B OG1 1 ATOM 4107 C CG2 . THR B 2 124 ? 24.506 18.060 13.476 1.00 36.62 ? 124 THR B CG2 1 ATOM 4108 N N . LYS B 2 125 ? 27.127 17.322 11.143 1.00 46.36 ? 125 LYS B N 1 ATOM 4109 C CA . LYS B 2 125 ? 28.362 16.681 11.578 1.00 48.06 ? 125 LYS B CA 1 ATOM 4110 C C . LYS B 2 125 ? 29.617 17.357 11.026 1.00 53.57 ? 125 LYS B C 1 ATOM 4111 O O . LYS B 2 125 ? 30.731 16.948 11.349 1.00 54.37 ? 125 LYS B O 1 ATOM 4112 C CB . LYS B 2 125 ? 28.356 15.200 11.188 1.00 44.64 ? 125 LYS B CB 1 ATOM 4113 C CG . LYS B 2 125 ? 27.378 14.369 11.993 1.00 49.80 ? 125 LYS B CG 1 ATOM 4114 C CD . LYS B 2 125 ? 27.381 12.912 11.564 1.00 58.20 ? 125 LYS B CD 1 ATOM 4115 C CE . LYS B 2 125 ? 28.780 12.311 11.649 1.00 72.27 ? 125 LYS B CE 1 ATOM 4116 N NZ . LYS B 2 125 ? 28.769 10.816 11.549 1.00 73.78 ? 125 LYS B NZ 1 ATOM 4117 N N . ARG B 2 126 ? 29.448 18.392 10.207 1.00 67.40 ? 126 ARG B N 1 ATOM 4118 C CA . ARG B 2 126 ? 30.607 19.122 9.707 1.00 67.81 ? 126 ARG B CA 1 ATOM 4119 C C . ARG B 2 126 ? 30.899 20.383 10.514 1.00 72.57 ? 126 ARG B C 1 ATOM 4120 O O . ARG B 2 126 ? 31.996 20.939 10.435 1.00 74.96 ? 126 ARG B O 1 ATOM 4121 C CB . ARG B 2 126 ? 30.432 19.480 8.242 1.00 65.20 ? 126 ARG B CB 1 ATOM 4122 C CG . ARG B 2 126 ? 31.484 18.823 7.369 1.00 73.64 ? 126 ARG B CG 1 ATOM 4123 C CD . ARG B 2 126 ? 31.520 19.454 6.010 1.00 72.43 ? 126 ARG B CD 1 ATOM 4124 N NE . ARG B 2 126 ? 30.201 19.945 5.637 1.00 77.79 ? 126 ARG B NE 1 ATOM 4125 C CZ . ARG B 2 126 ? 29.997 21.045 4.923 1.00 87.31 ? 126 ARG B CZ 1 ATOM 4126 N NH1 . ARG B 2 126 ? 31.039 21.757 4.511 1.00 81.99 ? 126 ARG B NH1 1 ATOM 4127 N NH2 . ARG B 2 126 ? 28.761 21.434 4.619 1.00 82.48 ? 126 ARG B NH2 1 ATOM 4128 N N . GLY B 2 127 ? 29.913 20.835 11.278 1.00 64.85 ? 127 GLY B N 1 ATOM 4129 C CA . GLY B 2 127 ? 30.127 21.884 12.256 1.00 68.84 ? 127 GLY B CA 1 ATOM 4130 C C . GLY B 2 127 ? 29.745 21.303 13.597 1.00 74.43 ? 127 GLY B C 1 ATOM 4131 O O . GLY B 2 127 ? 28.718 21.669 14.173 1.00 81.38 ? 127 GLY B O 1 ATOM 4132 N N . GLY B 2 128 ? 30.557 20.371 14.086 1.00 47.32 ? 128 GLY B N 1 ATOM 4133 C CA . GLY B 2 128 ? 30.165 19.565 15.225 1.00 41.33 ? 128 GLY B CA 1 ATOM 4134 C C . GLY B 2 128 ? 30.846 19.864 16.539 1.00 45.34 ? 128 GLY B C 1 ATOM 4135 O O . GLY B 2 128 ? 32.007 19.513 16.736 1.00 54.24 ? 128 GLY B O 1 ATOM 4136 N N . GLY B 2 129 ? 30.112 20.479 17.461 1.00 49.02 ? 129 GLY B N 1 ATOM 4137 C CA . GLY B 2 129 ? 28.710 20.784 17.258 1.00 43.50 ? 129 GLY B CA 1 ATOM 4138 C C . GLY B 2 129 ? 28.411 22.267 17.307 1.00 42.21 ? 129 GLY B C 1 ATOM 4139 O O . GLY B 2 129 ? 27.628 22.723 18.135 1.00 39.77 ? 129 GLY B O 1 ATOM 4140 N N . ILE B 2 130 ? 29.037 23.024 16.412 1.00 40.64 ? 130 ILE B N 1 ATOM 4141 C CA . ILE B 2 130 ? 28.735 24.439 16.263 1.00 46.17 ? 130 ILE B CA 1 ATOM 4142 C C . ILE B 2 130 ? 27.338 24.601 15.663 1.00 49.99 ? 130 ILE B C 1 ATOM 4143 O O . ILE B 2 130 ? 26.711 25.655 15.781 1.00 53.18 ? 130 ILE B O 1 ATOM 4144 C CB . ILE B 2 130 ? 29.778 25.144 15.366 1.00 48.75 ? 130 ILE B CB 1 ATOM 4145 C CG1 . ILE B 2 130 ? 31.177 24.597 15.654 1.00 50.02 ? 130 ILE B CG1 1 ATOM 4146 C CG2 . ILE B 2 130 ? 29.729 26.655 15.551 1.00 49.55 ? 130 ILE B CG2 1 ATOM 4147 C CD1 . ILE B 2 130 ? 32.232 25.056 14.673 1.00 47.42 ? 130 ILE B CD1 1 ATOM 4148 N N . ALA B 2 131 ? 26.862 23.533 15.027 1.00 67.28 ? 131 ALA B N 1 ATOM 4149 C CA . ALA B 2 131 ? 25.589 23.525 14.316 1.00 60.87 ? 131 ALA B CA 1 ATOM 4150 C C . ALA B 2 131 ? 24.390 23.751 15.228 1.00 57.66 ? 131 ALA B C 1 ATOM 4151 O O . ALA B 2 131 ? 23.745 24.789 15.139 1.00 70.06 ? 131 ALA B O 1 ATOM 4152 C CB . ALA B 2 131 ? 25.428 22.216 13.565 1.00 68.07 ? 131 ALA B CB 1 ATOM 4153 N N . GLN B 2 132 ? 24.099 22.782 16.093 1.00 45.01 ? 132 GLN B N 1 ATOM 4154 C CA . GLN B 2 132 ? 22.908 22.803 16.957 1.00 45.98 ? 132 GLN B CA 1 ATOM 4155 C C . GLN B 2 132 ? 21.624 22.781 16.131 1.00 45.40 ? 132 GLN B C 1 ATOM 4156 O O . GLN B 2 132 ? 21.190 23.799 15.594 1.00 44.99 ? 132 GLN B O 1 ATOM 4157 C CB . GLN B 2 132 ? 22.925 24.017 17.897 1.00 42.90 ? 132 GLN B CB 1 ATOM 4158 C CG . GLN B 2 132 ? 21.568 24.406 18.515 1.00 51.42 ? 132 GLN B CG 1 ATOM 4159 C CD . GLN B 2 132 ? 21.148 23.549 19.701 1.00 54.14 ? 132 GLN B CD 1 ATOM 4160 O OE1 . GLN B 2 132 ? 21.371 22.336 19.732 1.00 53.66 ? 132 GLN B OE1 1 ATOM 4161 N NE2 . GLN B 2 132 ? 20.531 24.189 20.693 1.00 58.17 ? 132 GLN B NE2 1 ATOM 4162 N N . GLU B 2 133 ? 21.018 21.603 16.039 1.00 53.69 ? 133 GLU B N 1 ATOM 4163 C CA . GLU B 2 133 ? 19.817 21.417 15.233 1.00 49.72 ? 133 GLU B CA 1 ATOM 4164 C C . GLU B 2 133 ? 18.589 22.089 15.836 1.00 45.17 ? 133 GLU B C 1 ATOM 4165 O O . GLU B 2 133 ? 18.478 22.228 17.049 1.00 49.27 ? 133 GLU B O 1 ATOM 4166 C CB . GLU B 2 133 ? 19.547 19.926 15.029 1.00 46.93 ? 133 GLU B CB 1 ATOM 4167 C CG . GLU B 2 133 ? 20.497 19.270 14.035 1.00 50.45 ? 133 GLU B CG 1 ATOM 4168 C CD . GLU B 2 133 ? 20.204 17.796 13.822 1.00 54.18 ? 133 GLU B CD 1 ATOM 4169 O OE1 . GLU B 2 133 ? 19.644 17.161 14.744 1.00 54.26 ? 133 GLU B OE1 1 ATOM 4170 O OE2 . GLU B 2 133 ? 20.541 17.274 12.735 1.00 52.76 ? 133 GLU B OE2 1 ATOM 4171 N N . ALA B 2 134 ? 17.678 22.510 14.964 1.00 42.95 ? 134 ALA B N 1 ATOM 4172 C CA . ALA B 2 134 ? 16.403 23.097 15.369 1.00 46.97 ? 134 ALA B CA 1 ATOM 4173 C C . ALA B 2 134 ? 15.289 22.516 14.511 1.00 47.45 ? 134 ALA B C 1 ATOM 4174 O O . ALA B 2 134 ? 14.607 23.246 13.787 1.00 46.25 ? 134 ALA B O 1 ATOM 4175 C CB . ALA B 2 134 ? 16.436 24.611 15.238 1.00 44.25 ? 134 ALA B CB 1 ATOM 4176 N N . GLY B 2 135 ? 15.112 21.200 14.591 1.00 36.05 ? 135 GLY B N 1 ATOM 4177 C CA . GLY B 2 135 ? 14.261 20.491 13.655 1.00 36.52 ? 135 GLY B CA 1 ATOM 4178 C C . GLY B 2 135 ? 15.054 20.191 12.396 1.00 34.29 ? 135 GLY B C 1 ATOM 4179 O O . GLY B 2 135 ? 16.084 20.817 12.148 1.00 33.83 ? 135 GLY B O 1 ATOM 4180 N N . PRO B 2 136 ? 14.585 19.229 11.592 1.00 34.04 ? 136 PRO B N 1 ATOM 4181 C CA . PRO B 2 136 ? 15.332 18.812 10.399 1.00 35.67 ? 136 PRO B CA 1 ATOM 4182 C C . PRO B 2 136 ? 15.593 19.961 9.426 1.00 35.86 ? 136 PRO B C 1 ATOM 4183 O O . PRO B 2 136 ? 14.681 20.719 9.104 1.00 33.13 ? 136 PRO B O 1 ATOM 4184 C CB . PRO B 2 136 ? 14.420 17.750 9.766 1.00 35.33 ? 136 PRO B CB 1 ATOM 4185 C CG . PRO B 2 136 ? 13.085 17.964 10.384 1.00 31.94 ? 136 PRO B CG 1 ATOM 4186 C CD . PRO B 2 136 ? 13.339 18.465 11.759 1.00 29.49 ? 136 PRO B CD 1 ATOM 4187 N N . GLY B 2 137 ? 16.838 20.092 8.980 1.00 33.12 ? 137 GLY B N 1 ATOM 4188 C CA . GLY B 2 137 ? 17.206 21.133 8.039 1.00 30.80 ? 137 GLY B CA 1 ATOM 4189 C C . GLY B 2 137 ? 17.231 22.544 8.605 1.00 32.95 ? 137 GLY B C 1 ATOM 4190 O O . GLY B 2 137 ? 17.181 23.516 7.851 1.00 36.48 ? 137 GLY B O 1 ATOM 4191 N N . CYS B 2 138 ? 17.305 22.663 9.927 1.00 31.26 ? 138 CYS B N 1 ATOM 4192 C CA . CYS B 2 138 ? 17.463 23.967 10.569 1.00 32.01 ? 138 CYS B CA 1 ATOM 4193 C C . CYS B 2 138 ? 18.536 23.920 11.655 1.00 36.62 ? 138 CYS B C 1 ATOM 4194 O O . CYS B 2 138 ? 18.721 22.904 12.317 1.00 36.45 ? 138 CYS B O 1 ATOM 4195 C CB . CYS B 2 138 ? 16.139 24.448 11.158 1.00 31.60 ? 138 CYS B CB 1 ATOM 4196 S SG . CYS B 2 138 ? 15.056 25.284 9.965 1.00 38.18 ? 138 CYS B SG 1 ATOM 4197 N N . TRP B 2 139 ? 19.253 25.025 11.825 1.00 38.87 ? 139 TRP B N 1 ATOM 4198 C CA . TRP B 2 139 ? 20.340 25.080 12.796 1.00 40.14 ? 139 TRP B CA 1 ATOM 4199 C C . TRP B 2 139 ? 20.454 26.439 13.476 1.00 43.07 ? 139 TRP B C 1 ATOM 4200 O O . TRP B 2 139 ? 20.259 27.483 12.848 1.00 40.55 ? 139 TRP B O 1 ATOM 4201 C CB . TRP B 2 139 ? 21.670 24.744 12.123 1.00 37.30 ? 139 TRP B CB 1 ATOM 4202 C CG . TRP B 2 139 ? 21.725 23.370 11.539 1.00 37.92 ? 139 TRP B CG 1 ATOM 4203 C CD1 . TRP B 2 139 ? 22.183 22.239 12.147 1.00 36.71 ? 139 TRP B CD1 1 ATOM 4204 C CD2 . TRP B 2 139 ? 21.313 22.979 10.221 1.00 36.50 ? 139 TRP B CD2 1 ATOM 4205 N NE1 . TRP B 2 139 ? 22.081 21.166 11.292 1.00 33.78 ? 139 TRP B NE1 1 ATOM 4206 C CE2 . TRP B 2 139 ? 21.550 21.594 10.105 1.00 34.87 ? 139 TRP B CE2 1 ATOM 4207 C CE3 . TRP B 2 139 ? 20.762 23.664 9.134 1.00 33.58 ? 139 TRP B CE3 1 ATOM 4208 C CZ2 . TRP B 2 139 ? 21.256 20.882 8.942 1.00 25.20 ? 139 TRP B CZ2 1 ATOM 4209 C CZ3 . TRP B 2 139 ? 20.469 22.957 7.983 1.00 33.84 ? 139 TRP B CZ3 1 ATOM 4210 C CH2 . TRP B 2 139 ? 20.717 21.579 7.896 1.00 30.17 ? 139 TRP B CH2 1 ATOM 4211 N N . TYR B 2 140 ? 20.770 26.428 14.763 1.00 42.15 ? 140 TYR B N 1 ATOM 4212 C CA . TYR B 2 140 ? 21.183 27.659 15.411 1.00 47.71 ? 140 TYR B CA 1 ATOM 4213 C C . TYR B 2 140 ? 22.700 27.715 15.441 1.00 45.38 ? 140 TYR B C 1 ATOM 4214 O O . TYR B 2 140 ? 23.319 27.209 16.367 1.00 50.83 ? 140 TYR B O 1 ATOM 4215 C CB . TYR B 2 140 ? 20.617 27.769 16.830 1.00 48.12 ? 140 TYR B CB 1 ATOM 4216 C CG . TYR B 2 140 ? 19.128 28.041 16.854 1.00 45.73 ? 140 TYR B CG 1 ATOM 4217 C CD1 . TYR B 2 140 ? 18.612 29.223 16.340 1.00 48.00 ? 140 TYR B CD1 1 ATOM 4218 C CD2 . TYR B 2 140 ? 18.240 27.119 17.385 1.00 44.08 ? 140 TYR B CD2 1 ATOM 4219 C CE1 . TYR B 2 140 ? 17.255 29.474 16.350 1.00 42.89 ? 140 TYR B CE1 1 ATOM 4220 C CE2 . TYR B 2 140 ? 16.886 27.361 17.401 1.00 41.25 ? 140 TYR B CE2 1 ATOM 4221 C CZ . TYR B 2 140 ? 16.398 28.532 16.882 1.00 43.06 ? 140 TYR B CZ 1 ATOM 4222 O OH . TYR B 2 140 ? 15.041 28.750 16.905 1.00 43.20 ? 140 TYR B OH 1 ATOM 4223 N N . VAL B 2 141 ? 23.313 28.307 14.427 1.00 72.58 ? 141 VAL B N 1 ATOM 4224 C CA . VAL B 2 141 ? 24.732 28.593 14.530 1.00 71.28 ? 141 VAL B CA 1 ATOM 4225 C C . VAL B 2 141 ? 24.936 29.981 15.175 1.00 81.80 ? 141 VAL B C 1 ATOM 4226 O O . VAL B 2 141 ? 24.484 31.002 14.612 1.00 81.85 ? 141 VAL B O 1 ATOM 4227 C CB . VAL B 2 141 ? 25.428 28.515 13.156 1.00 69.99 ? 141 VAL B CB 1 ATOM 4228 C CG1 . VAL B 2 141 ? 24.636 29.236 12.103 1.00 75.55 ? 141 VAL B CG1 1 ATOM 4229 C CG2 . VAL B 2 141 ? 26.808 29.096 13.262 1.00 79.43 ? 141 VAL B CG2 1 ATOM 4230 N N . ASP B 2 142 ? 25.570 30.001 16.359 1.00 68.70 ? 142 ASP B N 1 ATOM 4231 C CA . ASP B 2 142 ? 25.799 31.228 17.114 1.00 73.06 ? 142 ASP B CA 1 ATOM 4232 C C . ASP B 2 142 ? 26.987 31.982 16.533 1.00 77.65 ? 142 ASP B C 1 ATOM 4233 O O . ASP B 2 142 ? 28.126 31.524 16.566 1.00 74.95 ? 142 ASP B O 1 ATOM 4234 C CB . ASP B 2 142 ? 26.037 30.919 18.569 1.00 79.37 ? 142 ASP B CB 1 ATOM 4235 C CG . ASP B 2 142 ? 24.763 30.487 19.288 1.00 83.25 ? 142 ASP B CG 1 ATOM 4236 O OD1 . ASP B 2 142 ? 23.684 30.666 18.700 1.00 78.29 ? 142 ASP B OD1 1 ATOM 4237 O OD2 . ASP B 2 142 ? 24.814 29.892 20.401 1.00 87.25 ? 142 ASP B OD2 1 ATOM 4238 N N . SER B 2 143 ? 26.690 33.133 15.951 1.00 83.35 ? 143 SER B N 1 ATOM 4239 C CA . SER B 2 143 ? 27.675 33.952 15.247 1.00 80.53 ? 143 SER B CA 1 ATOM 4240 C C . SER B 2 143 ? 28.690 34.526 16.217 1.00 87.86 ? 143 SER B C 1 ATOM 4241 O O . SER B 2 143 ? 28.910 35.737 16.204 1.00 88.45 ? 143 SER B O 1 ATOM 4242 C CB . SER B 2 143 ? 26.974 35.091 14.494 1.00 77.89 ? 143 SER B CB 1 ATOM 4243 O OG . SER B 2 143 ? 26.099 34.558 13.511 1.00 77.87 ? 143 SER B OG 1 ATOM 4244 N N . GLU B 2 144 ? 29.293 33.684 17.057 1.00 112.01 ? 144 GLU B N 1 ATOM 4245 C CA . GLU B 2 144 ? 30.224 34.156 18.072 1.00 110.51 ? 144 GLU B CA 1 ATOM 4246 C C . GLU B 2 144 ? 31.483 33.287 17.898 1.00 111.75 ? 144 GLU B C 1 ATOM 4247 O O . GLU B 2 144 ? 32.586 33.766 17.620 1.00 107.61 ? 144 GLU B O 1 ATOM 4248 C CB . GLU B 2 144 ? 29.621 33.983 19.477 1.00 107.43 ? 144 GLU B CB 1 ATOM 4249 C CG . GLU B 2 144 ? 28.153 33.559 19.446 1.00 111.94 ? 144 GLU B CG 1 ATOM 4250 C CD . GLU B 2 144 ? 27.777 32.700 20.642 1.00 117.05 ? 144 GLU B CD 1 ATOM 4251 O OE1 . GLU B 2 144 ? 28.592 31.810 21.014 1.00 117.82 ? 144 GLU B OE1 1 ATOM 4252 O OE2 . GLU B 2 144 ? 26.655 32.830 21.159 1.00 114.38 ? 144 GLU B OE2 1 ATOM 4253 N N . ASN B 2 145 ? 31.285 31.984 18.073 1.00 102.64 ? 145 ASN B N 1 ATOM 4254 C CA . ASN B 2 145 ? 32.319 30.985 17.883 1.00 100.95 ? 145 ASN B CA 1 ATOM 4255 C C . ASN B 2 145 ? 32.566 30.773 16.397 1.00 98.70 ? 145 ASN B C 1 ATOM 4256 O O . ASN B 2 145 ? 33.593 30.222 15.991 1.00 100.18 ? 145 ASN B O 1 ATOM 4257 C CB . ASN B 2 145 ? 31.884 29.676 18.537 1.00 100.92 ? 145 ASN B CB 1 ATOM 4258 C CG . ASN B 2 145 ? 31.097 29.907 19.816 1.00 104.08 ? 145 ASN B CG 1 ATOM 4259 O OD1 . ASN B 2 145 ? 31.196 30.971 20.435 1.00 103.74 ? 145 ASN B OD1 1 ATOM 4260 N ND2 . ASN B 2 145 ? 30.268 28.937 20.187 1.00 102.40 ? 145 ASN B ND2 1 ATOM 4261 N N . CYS B 2 146 ? 31.595 31.202 15.595 1.00 87.41 ? 146 CYS B N 1 ATOM 4262 C CA . CYS B 2 146 ? 31.583 30.933 14.164 1.00 88.22 ? 146 CYS B CA 1 ATOM 4263 C C . CYS B 2 146 ? 31.400 32.227 13.359 1.00 87.82 ? 146 CYS B C 1 ATOM 4264 O O . CYS B 2 146 ? 30.322 32.827 13.366 1.00 84.80 ? 146 CYS B O 1 ATOM 4265 C CB . CYS B 2 146 ? 30.471 29.924 13.841 1.00 80.59 ? 146 CYS B CB 1 ATOM 4266 S SG . CYS B 2 146 ? 30.507 29.219 12.180 1.00 80.99 ? 146 CYS B SG 1 ATOM 4267 N N . ASP B 2 147 ? 32.455 32.650 12.664 1.00 94.02 ? 147 ASP B N 1 ATOM 4268 C CA . ASP B 2 147 ? 32.419 33.899 11.908 1.00 94.03 ? 147 ASP B CA 1 ATOM 4269 C C . ASP B 2 147 ? 31.630 33.743 10.605 1.00 92.74 ? 147 ASP B C 1 ATOM 4270 O O . ASP B 2 147 ? 30.432 33.477 10.637 1.00 101.86 ? 147 ASP B O 1 ATOM 4271 C CB . ASP B 2 147 ? 33.844 34.409 11.631 1.00 97.64 ? 147 ASP B CB 1 ATOM 4272 C CG . ASP B 2 147 ? 34.736 33.368 10.954 1.00 101.63 ? 147 ASP B CG 1 ATOM 4273 O OD1 . ASP B 2 147 ? 34.212 32.355 10.441 1.00 99.02 ? 147 ASP B OD1 1 ATOM 4274 O OD2 . ASP B 2 147 ? 35.967 33.580 10.917 1.00 101.31 ? 147 ASP B OD2 1 ATOM 4275 N N . ALA B 2 148 ? 32.298 33.915 9.469 1.00 66.19 ? 148 ALA B N 1 ATOM 4276 C CA . ALA B 2 148 ? 31.651 33.807 8.167 1.00 63.59 ? 148 ALA B CA 1 ATOM 4277 C C . ALA B 2 148 ? 32.291 32.702 7.339 1.00 66.75 ? 148 ALA B C 1 ATOM 4278 O O . ALA B 2 148 ? 31.602 31.935 6.669 1.00 68.31 ? 148 ALA B O 1 ATOM 4279 C CB . ALA B 2 148 ? 31.717 35.131 7.430 1.00 63.22 ? 148 ALA B CB 1 ATOM 4280 N N . SER B 2 149 ? 33.616 32.625 7.391 1.00 71.44 ? 149 SER B N 1 ATOM 4281 C CA . SER B 2 149 ? 34.341 31.539 6.745 1.00 70.59 ? 149 SER B CA 1 ATOM 4282 C C . SER B 2 149 ? 33.959 30.215 7.401 1.00 66.35 ? 149 SER B C 1 ATOM 4283 O O . SER B 2 149 ? 34.034 29.153 6.779 1.00 61.26 ? 149 SER B O 1 ATOM 4284 C CB . SER B 2 149 ? 35.854 31.773 6.829 1.00 70.89 ? 149 SER B CB 1 ATOM 4285 O OG . SER B 2 149 ? 36.576 30.552 6.815 1.00 80.13 ? 149 SER B OG 1 ATOM 4286 N N . CYS B 2 150 ? 33.550 30.297 8.666 1.00 60.00 ? 150 CYS B N 1 ATOM 4287 C CA . CYS B 2 150 ? 33.109 29.134 9.425 1.00 62.62 ? 150 CYS B CA 1 ATOM 4288 C C . CYS B 2 150 ? 31.784 28.600 8.886 1.00 57.86 ? 150 CYS B C 1 ATOM 4289 O O . CYS B 2 150 ? 31.704 27.447 8.463 1.00 52.51 ? 150 CYS B O 1 ATOM 4290 C CB . CYS B 2 150 ? 32.980 29.482 10.910 1.00 61.72 ? 150 CYS B CB 1 ATOM 4291 S SG . CYS B 2 150 ? 32.246 28.191 11.942 1.00 73.29 ? 150 CYS B SG 1 ATOM 4292 N N . LYS B 2 151 ? 30.757 29.448 8.893 1.00 57.17 ? 151 LYS B N 1 ATOM 4293 C CA . LYS B 2 151 ? 29.445 29.086 8.365 1.00 52.32 ? 151 LYS B CA 1 ATOM 4294 C C . LYS B 2 151 ? 29.534 28.652 6.912 1.00 50.25 ? 151 LYS B C 1 ATOM 4295 O O . LYS B 2 151 ? 28.783 27.783 6.468 1.00 49.09 ? 151 LYS B O 1 ATOM 4296 C CB . LYS B 2 151 ? 28.466 30.249 8.494 1.00 50.82 ? 151 LYS B CB 1 ATOM 4297 C CG . LYS B 2 151 ? 28.083 30.583 9.919 1.00 50.72 ? 151 LYS B CG 1 ATOM 4298 C CD . LYS B 2 151 ? 27.089 31.722 9.946 1.00 58.18 ? 151 LYS B CD 1 ATOM 4299 C CE . LYS B 2 151 ? 26.795 32.165 11.362 1.00 58.07 ? 151 LYS B CE 1 ATOM 4300 N NZ . LYS B 2 151 ? 27.366 33.513 11.602 1.00 64.97 ? 151 LYS B NZ 1 ATOM 4301 N N . GLU B 2 152 ? 30.451 29.264 6.172 1.00 46.97 ? 152 GLU B N 1 ATOM 4302 C CA . GLU B 2 152 ? 30.696 28.851 4.801 1.00 48.09 ? 152 GLU B CA 1 ATOM 4303 C C . GLU B 2 152 ? 31.177 27.406 4.780 1.00 49.15 ? 152 GLU B C 1 ATOM 4304 O O . GLU B 2 152 ? 30.748 26.615 3.944 1.00 50.62 ? 152 GLU B O 1 ATOM 4305 C CB . GLU B 2 152 ? 31.712 29.773 4.124 1.00 53.64 ? 152 GLU B CB 1 ATOM 4306 C CG . GLU B 2 152 ? 32.195 29.282 2.766 1.00 51.94 ? 152 GLU B CG 1 ATOM 4307 C CD . GLU B 2 152 ? 31.071 29.132 1.758 1.00 52.36 ? 152 GLU B CD 1 ATOM 4308 O OE1 . GLU B 2 152 ? 30.084 29.888 1.856 1.00 49.13 ? 152 GLU B OE1 1 ATOM 4309 O OE2 . GLU B 2 152 ? 31.179 28.261 0.865 1.00 52.06 ? 152 GLU B OE2 1 ATOM 4310 N N . TYR B 2 153 ? 32.057 27.058 5.713 1.00 46.96 ? 153 TYR B N 1 ATOM 4311 C CA . TYR B 2 153 ? 32.542 25.689 5.799 1.00 48.34 ? 153 TYR B CA 1 ATOM 4312 C C . TYR B 2 153 ? 31.409 24.732 6.160 1.00 48.35 ? 153 TYR B C 1 ATOM 4313 O O . TYR B 2 153 ? 31.327 23.636 5.615 1.00 46.80 ? 153 TYR B O 1 ATOM 4314 C CB . TYR B 2 153 ? 33.675 25.567 6.823 1.00 45.60 ? 153 TYR B CB 1 ATOM 4315 C CG . TYR B 2 153 ? 34.129 24.137 7.047 1.00 42.62 ? 153 TYR B CG 1 ATOM 4316 C CD1 . TYR B 2 153 ? 33.770 23.441 8.199 1.00 44.92 ? 153 TYR B CD1 1 ATOM 4317 C CD2 . TYR B 2 153 ? 34.902 23.478 6.101 1.00 40.60 ? 153 TYR B CD2 1 ATOM 4318 C CE1 . TYR B 2 153 ? 34.180 22.133 8.401 1.00 39.42 ? 153 TYR B CE1 1 ATOM 4319 C CE2 . TYR B 2 153 ? 35.313 22.173 6.294 1.00 39.13 ? 153 TYR B CE2 1 ATOM 4320 C CZ . TYR B 2 153 ? 34.951 21.508 7.442 1.00 40.63 ? 153 TYR B CZ 1 ATOM 4321 O OH . TYR B 2 153 ? 35.365 20.211 7.629 1.00 51.66 ? 153 TYR B OH 1 ATOM 4322 N N . ILE B 2 154 ? 30.537 25.158 7.070 1.00 43.68 ? 154 ILE B N 1 ATOM 4323 C CA . ILE B 2 154 ? 29.493 24.289 7.602 1.00 41.27 ? 154 ILE B CA 1 ATOM 4324 C C . ILE B 2 154 ? 28.324 24.095 6.636 1.00 44.14 ? 154 ILE B C 1 ATOM 4325 O O . ILE B 2 154 ? 27.862 22.975 6.434 1.00 42.14 ? 154 ILE B O 1 ATOM 4326 C CB . ILE B 2 154 ? 28.951 24.831 8.936 1.00 39.96 ? 154 ILE B CB 1 ATOM 4327 C CG1 . ILE B 2 154 ? 30.079 24.947 9.966 1.00 46.01 ? 154 ILE B CG1 1 ATOM 4328 C CG2 . ILE B 2 154 ? 27.843 23.940 9.464 1.00 40.30 ? 154 ILE B CG2 1 ATOM 4329 C CD1 . ILE B 2 154 ? 29.630 25.450 11.332 1.00 39.98 ? 154 ILE B CD1 1 ATOM 4330 N N . PHE B 2 155 ? 27.856 25.180 6.029 1.00 40.99 ? 155 PHE B N 1 ATOM 4331 C CA . PHE B 2 155 ? 26.634 25.122 5.237 1.00 41.78 ? 155 PHE B CA 1 ATOM 4332 C C . PHE B 2 155 ? 26.870 25.309 3.739 1.00 41.46 ? 155 PHE B C 1 ATOM 4333 O O . PHE B 2 155 ? 25.923 25.420 2.972 1.00 38.43 ? 155 PHE B O 1 ATOM 4334 C CB . PHE B 2 155 ? 25.649 26.179 5.733 1.00 34.86 ? 155 PHE B CB 1 ATOM 4335 C CG . PHE B 2 155 ? 25.392 26.117 7.208 1.00 38.02 ? 155 PHE B CG 1 ATOM 4336 C CD1 . PHE B 2 155 ? 24.493 25.199 7.734 1.00 35.58 ? 155 PHE B CD1 1 ATOM 4337 C CD2 . PHE B 2 155 ? 26.060 26.969 8.075 1.00 38.35 ? 155 PHE B CD2 1 ATOM 4338 C CE1 . PHE B 2 155 ? 24.258 25.141 9.101 1.00 37.85 ? 155 PHE B CE1 1 ATOM 4339 C CE2 . PHE B 2 155 ? 25.834 26.914 9.441 1.00 38.89 ? 155 PHE B CE2 1 ATOM 4340 C CZ . PHE B 2 155 ? 24.929 26.002 9.955 1.00 40.46 ? 155 PHE B CZ 1 ATOM 4341 N N . ASN B 2 156 ? 28.133 25.338 3.327 1.00 65.82 ? 156 ASN B N 1 ATOM 4342 C CA . ASN B 2 156 ? 28.502 25.574 1.924 1.00 67.21 ? 156 ASN B CA 1 ATOM 4343 C C . ASN B 2 156 ? 27.779 26.704 1.198 1.00 66.08 ? 156 ASN B C 1 ATOM 4344 O O . ASN B 2 156 ? 27.553 26.595 -0.004 1.00 63.53 ? 156 ASN B O 1 ATOM 4345 C CB . ASN B 2 156 ? 28.304 24.307 1.098 1.00 69.41 ? 156 ASN B CB 1 ATOM 4346 C CG . ASN B 2 156 ? 29.354 24.150 0.013 1.00 73.18 ? 156 ASN B CG 1 ATOM 4347 O OD1 . ASN B 2 156 ? 30.126 25.075 -0.255 1.00 73.74 ? 156 ASN B OD1 1 ATOM 4348 N ND2 . ASN B 2 156 ? 29.340 23.000 -0.668 1.00 80.18 ? 156 ASN B ND2 1 ATOM 4349 N N . PHE B 2 157 ? 27.407 27.746 1.947 1.00 68.98 ? 157 PHE B N 1 ATOM 4350 C CA . PHE B 2 157 ? 27.013 29.074 1.435 1.00 72.02 ? 157 PHE B CA 1 ATOM 4351 C C . PHE B 2 157 ? 26.459 29.967 2.550 1.00 73.52 ? 157 PHE B C 1 ATOM 4352 O O . PHE B 2 157 ? 26.655 29.703 3.740 1.00 70.58 ? 157 PHE B O 1 ATOM 4353 C CB . PHE B 2 157 ? 25.987 28.981 0.297 1.00 72.98 ? 157 PHE B CB 1 ATOM 4354 C CG . PHE B 2 157 ? 26.586 29.203 -1.076 1.00 80.45 ? 157 PHE B CG 1 ATOM 4355 C CD1 . PHE B 2 157 ? 27.967 29.252 -1.249 1.00 79.72 ? 157 PHE B CD1 1 ATOM 4356 C CD2 . PHE B 2 157 ? 25.776 29.332 -2.192 1.00 86.68 ? 157 PHE B CD2 1 ATOM 4357 C CE1 . PHE B 2 157 ? 28.529 29.452 -2.506 1.00 85.59 ? 157 PHE B CE1 1 ATOM 4358 C CE2 . PHE B 2 157 ? 26.329 29.527 -3.458 1.00 90.34 ? 157 PHE B CE2 1 ATOM 4359 C CZ . PHE B 2 157 ? 27.708 29.586 -3.615 1.00 83.60 ? 157 PHE B CZ 1 ATOM 4360 N N . GLU C 1 1 ? 19.303 -29.048 -93.627 1.00 77.71 ? 3 GLU C N 1 ATOM 4361 C CA . GLU C 1 1 ? 18.768 -28.886 -92.275 1.00 75.18 ? 3 GLU C CA 1 ATOM 4362 C C . GLU C 1 1 ? 17.972 -27.589 -92.089 1.00 71.01 ? 3 GLU C C 1 ATOM 4363 O O . GLU C 1 1 ? 18.355 -26.532 -92.569 1.00 61.59 ? 3 GLU C O 1 ATOM 4364 C CB . GLU C 1 1 ? 19.888 -28.992 -91.218 1.00 71.63 ? 3 GLU C CB 1 ATOM 4365 C CG . GLU C 1 1 ? 19.308 -28.891 -89.843 1.00 73.81 ? 3 GLU C CG 1 ATOM 4366 C CD . GLU C 1 1 ? 20.029 -29.673 -88.761 1.00 75.76 ? 3 GLU C CD 1 ATOM 4367 O OE1 . GLU C 1 1 ? 21.270 -29.809 -88.820 1.00 74.06 ? 3 GLU C OE1 1 ATOM 4368 O OE2 . GLU C 1 1 ? 19.333 -30.241 -87.889 1.00 79.27 ? 3 GLU C OE2 1 ATOM 4369 N N . LEU C 1 2 ? 16.810 -27.734 -91.457 1.00 87.21 ? 4 LEU C N 1 ATOM 4370 C CA . LEU C 1 2 ? 15.995 -26.617 -90.986 1.00 80.19 ? 4 LEU C CA 1 ATOM 4371 C C . LEU C 1 2 ? 16.275 -26.346 -89.496 1.00 78.81 ? 4 LEU C C 1 ATOM 4372 O O . LEU C 1 2 ? 15.901 -27.130 -88.620 1.00 79.00 ? 4 LEU C O 1 ATOM 4373 C CB . LEU C 1 2 ? 14.502 -26.902 -91.224 1.00 79.57 ? 4 LEU C CB 1 ATOM 4374 C CG . LEU C 1 2 ? 13.404 -26.088 -90.518 1.00 77.62 ? 4 LEU C CG 1 ATOM 4375 C CD1 . LEU C 1 2 ? 12.247 -25.825 -91.469 1.00 77.08 ? 4 LEU C CD1 1 ATOM 4376 C CD2 . LEU C 1 2 ? 12.886 -26.793 -89.267 1.00 79.42 ? 4 LEU C CD2 1 ATOM 4377 N N . ILE C 1 3 ? 16.967 -25.251 -89.208 1.00 60.90 ? 5 ILE C N 1 ATOM 4378 C CA . ILE C 1 3 ? 17.237 -24.890 -87.821 1.00 57.94 ? 5 ILE C CA 1 ATOM 4379 C C . ILE C 1 3 ? 16.457 -23.640 -87.438 1.00 52.84 ? 5 ILE C C 1 ATOM 4380 O O . ILE C 1 3 ? 16.556 -22.612 -88.103 1.00 49.14 ? 5 ILE C O 1 ATOM 4381 C CB . ILE C 1 3 ? 18.727 -24.644 -87.574 1.00 56.79 ? 5 ILE C CB 1 ATOM 4382 C CG1 . ILE C 1 3 ? 19.575 -25.679 -88.311 1.00 63.69 ? 5 ILE C CG1 1 ATOM 4383 C CG2 . ILE C 1 3 ? 19.021 -24.661 -86.084 1.00 63.96 ? 5 ILE C CG2 1 ATOM 4384 C CD1 . ILE C 1 3 ? 21.035 -25.612 -87.945 1.00 63.47 ? 5 ILE C CD1 1 ATOM 4385 N N . CYS C 1 4 ? 15.687 -23.726 -86.361 1.00 59.85 ? 6 CYS C N 1 ATOM 4386 C CA . CYS C 1 4 ? 14.807 -22.629 -85.988 1.00 58.17 ? 6 CYS C CA 1 ATOM 4387 C C . CYS C 1 4 ? 14.905 -22.269 -84.512 1.00 57.00 ? 6 CYS C C 1 ATOM 4388 O O . CYS C 1 4 ? 15.155 -23.123 -83.666 1.00 55.97 ? 6 CYS C O 1 ATOM 4389 C CB . CYS C 1 4 ? 13.349 -22.973 -86.318 1.00 56.03 ? 6 CYS C CB 1 ATOM 4390 S SG . CYS C 1 4 ? 12.905 -23.092 -88.072 1.00 64.43 ? 6 CYS C SG 1 ATOM 4391 N N . ILE C 1 5 ? 14.695 -20.991 -84.217 1.00 50.50 ? 7 ILE C N 1 ATOM 4392 C CA . ILE C 1 5 ? 14.448 -20.535 -82.855 1.00 43.64 ? 7 ILE C CA 1 ATOM 4393 C C . ILE C 1 5 ? 13.031 -20.932 -82.459 1.00 41.44 ? 7 ILE C C 1 ATOM 4394 O O . ILE C 1 5 ? 12.093 -20.665 -83.202 1.00 42.21 ? 7 ILE C O 1 ATOM 4395 C CB . ILE C 1 5 ? 14.604 -19.004 -82.734 1.00 44.07 ? 7 ILE C CB 1 ATOM 4396 C CG1 . ILE C 1 5 ? 16.037 -18.585 -83.060 1.00 41.07 ? 7 ILE C CG1 1 ATOM 4397 C CG2 . ILE C 1 5 ? 14.195 -18.525 -81.350 1.00 34.75 ? 7 ILE C CG2 1 ATOM 4398 C CD1 . ILE C 1 5 ? 16.211 -17.099 -83.281 1.00 40.54 ? 7 ILE C CD1 1 ATOM 4399 N N . VAL C 1 6 ? 12.859 -21.563 -81.304 1.00 40.45 ? 8 VAL C N 1 ATOM 4400 C CA . VAL C 1 6 ? 11.519 -21.977 -80.892 1.00 39.75 ? 8 VAL C CA 1 ATOM 4401 C C . VAL C 1 6 ? 11.030 -21.258 -79.625 1.00 42.01 ? 8 VAL C C 1 ATOM 4402 O O . VAL C 1 6 ? 11.736 -21.169 -78.614 1.00 39.31 ? 8 VAL C O 1 ATOM 4403 C CB . VAL C 1 6 ? 11.451 -23.510 -80.683 1.00 42.84 ? 8 VAL C CB 1 ATOM 4404 C CG1 . VAL C 1 6 ? 12.726 -24.017 -80.051 1.00 46.00 ? 8 VAL C CG1 1 ATOM 4405 C CG2 . VAL C 1 6 ? 10.237 -23.891 -79.841 1.00 38.01 ? 8 VAL C CG2 1 ATOM 4406 N N . GLN C 1 7 ? 9.812 -20.731 -79.708 1.00 44.65 ? 9 GLN C N 1 ATOM 4407 C CA . GLN C 1 7 ? 9.173 -20.070 -78.584 1.00 41.02 ? 9 GLN C CA 1 ATOM 4408 C C . GLN C 1 7 ? 8.099 -20.985 -78.018 1.00 44.50 ? 9 GLN C C 1 ATOM 4409 O O . GLN C 1 7 ? 7.261 -21.491 -78.762 1.00 42.12 ? 9 GLN C O 1 ATOM 4410 C CB . GLN C 1 7 ? 8.563 -18.735 -79.017 1.00 39.63 ? 9 GLN C CB 1 ATOM 4411 C CG . GLN C 1 7 ? 9.501 -17.845 -79.822 1.00 43.46 ? 9 GLN C CG 1 ATOM 4412 C CD . GLN C 1 7 ? 8.776 -16.707 -80.528 1.00 42.23 ? 9 GLN C CD 1 ATOM 4413 O OE1 . GLN C 1 7 ? 9.241 -15.571 -80.532 1.00 43.11 ? 9 GLN C OE1 1 ATOM 4414 N NE2 . GLN C 1 7 ? 7.637 -17.014 -81.136 1.00 36.91 ? 9 GLN C NE2 1 ATOM 4415 N N . ARG C 1 8 ? 8.123 -21.217 -76.710 1.00 41.56 ? 10 ARG C N 1 ATOM 4416 C CA . ARG C 1 8 ? 7.079 -22.028 -76.107 1.00 41.98 ? 10 ARG C CA 1 ATOM 4417 C C . ARG C 1 8 ? 6.790 -21.598 -74.679 1.00 43.43 ? 10 ARG C C 1 ATOM 4418 O O . ARG C 1 8 ? 7.668 -21.121 -73.964 1.00 40.35 ? 10 ARG C O 1 ATOM 4419 C CB . ARG C 1 8 ? 7.450 -23.511 -76.153 1.00 47.21 ? 10 ARG C CB 1 ATOM 4420 C CG . ARG C 1 8 ? 8.573 -23.909 -75.231 1.00 44.79 ? 10 ARG C CG 1 ATOM 4421 C CD . ARG C 1 8 ? 8.973 -25.356 -75.468 1.00 56.86 ? 10 ARG C CD 1 ATOM 4422 N NE . ARG C 1 8 ? 10.070 -25.742 -74.588 1.00 63.70 ? 10 ARG C NE 1 ATOM 4423 C CZ . ARG C 1 8 ? 10.758 -26.871 -74.690 1.00 57.57 ? 10 ARG C CZ 1 ATOM 4424 N NH1 . ARG C 1 8 ? 10.471 -27.746 -75.646 1.00 65.34 ? 10 ARG C NH1 1 ATOM 4425 N NH2 . ARG C 1 8 ? 11.735 -27.119 -73.831 1.00 56.60 ? 10 ARG C NH2 1 ATOM 4426 N N . VAL C 1 9 ? 5.541 -21.775 -74.268 1.00 44.77 ? 11 VAL C N 1 ATOM 4427 C CA . VAL C 1 9 ? 5.120 -21.328 -72.957 1.00 45.20 ? 11 VAL C CA 1 ATOM 4428 C C . VAL C 1 9 ? 4.608 -22.473 -72.083 1.00 47.75 ? 11 VAL C C 1 ATOM 4429 O O . VAL C 1 9 ? 4.146 -23.507 -72.569 1.00 44.99 ? 11 VAL C O 1 ATOM 4430 C CB . VAL C 1 9 ? 4.041 -20.242 -73.077 1.00 39.87 ? 11 VAL C CB 1 ATOM 4431 C CG1 . VAL C 1 9 ? 4.628 -19.015 -73.761 1.00 37.95 ? 11 VAL C CG1 1 ATOM 4432 C CG2 . VAL C 1 9 ? 2.840 -20.767 -73.851 1.00 41.73 ? 11 VAL C CG2 1 ATOM 4433 N N . ASN C 1 10 ? 4.721 -22.258 -70.780 1.00 55.29 ? 12 ASN C N 1 ATOM 4434 C CA . ASN C 1 10 ? 4.302 -23.209 -69.768 1.00 54.21 ? 12 ASN C CA 1 ATOM 4435 C C . ASN C 1 10 ? 2.894 -22.935 -69.291 1.00 53.73 ? 12 ASN C C 1 ATOM 4436 O O . ASN C 1 10 ? 2.280 -21.938 -69.668 1.00 51.14 ? 12 ASN C O 1 ATOM 4437 C CB . ASN C 1 10 ? 5.265 -23.166 -68.569 1.00 45.83 ? 12 ASN C CB 1 ATOM 4438 C CG . ASN C 1 10 ? 6.378 -24.158 -68.711 1.00 57.35 ? 12 ASN C CG 1 ATOM 4439 O OD1 . ASN C 1 10 ? 6.249 -25.086 -69.505 1.00 65.14 ? 12 ASN C OD1 1 ATOM 4440 N ND2 . ASN C 1 10 ? 7.471 -23.998 -67.962 1.00 51.43 ? 12 ASN C ND2 1 ATOM 4441 N N . GLU C 1 11 ? 2.402 -23.829 -68.441 1.00 53.00 ? 13 GLU C N 1 ATOM 4442 C CA . GLU C 1 11 ? 1.237 -23.580 -67.606 1.00 54.83 ? 13 GLU C CA 1 ATOM 4443 C C . GLU C 1 11 ? 1.447 -22.293 -66.802 1.00 46.81 ? 13 GLU C C 1 ATOM 4444 O O . GLU C 1 11 ? 0.494 -21.656 -66.361 1.00 45.95 ? 13 GLU C O 1 ATOM 4445 C CB . GLU C 1 11 ? 1.013 -24.766 -66.661 1.00 56.12 ? 13 GLU C CB 1 ATOM 4446 C CG . GLU C 1 11 ? 1.056 -26.127 -67.356 1.00 69.19 ? 13 GLU C CG 1 ATOM 4447 C CD . GLU C 1 11 ? 0.530 -27.255 -66.486 1.00 79.76 ? 13 GLU C CD 1 ATOM 4448 O OE1 . GLU C 1 11 ? 0.652 -27.156 -65.246 1.00 81.52 ? 13 GLU C OE1 1 ATOM 4449 O OE2 . GLU C 1 11 ? 0.004 -28.244 -67.043 1.00 79.66 ? 13 GLU C OE2 1 ATOM 4450 N N . SER C 1 12 ? 2.713 -21.926 -66.621 1.00 46.17 ? 14 SER C N 1 ATOM 4451 C CA . SER C 1 12 ? 3.110 -20.779 -65.814 1.00 46.36 ? 14 SER C CA 1 ATOM 4452 C C . SER C 1 12 ? 2.951 -19.447 -66.549 1.00 43.09 ? 14 SER C C 1 ATOM 4453 O O . SER C 1 12 ? 3.088 -18.388 -65.950 1.00 43.84 ? 14 SER C O 1 ATOM 4454 C CB . SER C 1 12 ? 4.561 -20.945 -65.372 1.00 48.12 ? 14 SER C CB 1 ATOM 4455 O OG . SER C 1 12 ? 4.702 -22.072 -64.523 1.00 55.24 ? 14 SER C OG 1 ATOM 4456 N N . PHE C 1 13 ? 2.679 -19.508 -67.847 1.00 34.47 ? 15 PHE C N 1 ATOM 4457 C CA . PHE C 1 13 ? 2.492 -18.304 -68.650 1.00 39.13 ? 15 PHE C CA 1 ATOM 4458 C C . PHE C 1 13 ? 1.009 -17.992 -68.856 1.00 35.77 ? 15 PHE C C 1 ATOM 4459 O O . PHE C 1 13 ? 0.198 -18.897 -69.065 1.00 37.91 ? 15 PHE C O 1 ATOM 4460 C CB . PHE C 1 13 ? 3.173 -18.453 -70.014 1.00 31.63 ? 15 PHE C CB 1 ATOM 4461 C CG . PHE C 1 13 ? 4.672 -18.393 -69.966 1.00 30.17 ? 15 PHE C CG 1 ATOM 4462 C CD1 . PHE C 1 13 ? 5.412 -19.512 -69.620 1.00 34.80 ? 15 PHE C CD1 1 ATOM 4463 C CD2 . PHE C 1 13 ? 5.344 -17.229 -70.301 1.00 27.04 ? 15 PHE C CD2 1 ATOM 4464 C CE1 . PHE C 1 13 ? 6.794 -19.476 -69.592 1.00 31.71 ? 15 PHE C CE1 1 ATOM 4465 C CE2 . PHE C 1 13 ? 6.724 -17.178 -70.275 1.00 29.41 ? 15 PHE C CE2 1 ATOM 4466 C CZ . PHE C 1 13 ? 7.455 -18.307 -69.919 1.00 35.33 ? 15 PHE C CZ 1 ATOM 4467 N N . SER C 1 14 ? 0.662 -16.710 -68.797 1.00 33.33 ? 16 SER C N 1 ATOM 4468 C CA . SER C 1 14 ? -0.677 -16.264 -69.179 1.00 39.17 ? 16 SER C CA 1 ATOM 4469 C C . SER C 1 14 ? -0.587 -15.220 -70.293 1.00 36.27 ? 16 SER C C 1 ATOM 4470 O O . SER C 1 14 ? 0.444 -14.570 -70.468 1.00 36.96 ? 16 SER C O 1 ATOM 4471 C CB . SER C 1 14 ? -1.431 -15.698 -67.978 1.00 35.56 ? 16 SER C CB 1 ATOM 4472 O OG . SER C 1 14 ? -0.768 -14.560 -67.462 1.00 41.82 ? 16 SER C OG 1 ATOM 4473 N N . LEU C 1 15 ? -1.667 -15.061 -71.046 1.00 47.65 ? 17 LEU C N 1 ATOM 4474 C CA . LEU C 1 15 ? -1.648 -14.224 -72.243 1.00 42.27 ? 17 LEU C CA 1 ATOM 4475 C C . LEU C 1 15 ? -2.204 -12.824 -72.004 1.00 42.59 ? 17 LEU C C 1 ATOM 4476 O O . LEU C 1 15 ? -3.354 -12.672 -71.589 1.00 41.78 ? 17 LEU C O 1 ATOM 4477 C CB . LEU C 1 15 ? -2.442 -14.898 -73.354 1.00 42.63 ? 17 LEU C CB 1 ATOM 4478 C CG . LEU C 1 15 ? -2.625 -14.098 -74.639 1.00 41.96 ? 17 LEU C CG 1 ATOM 4479 C CD1 . LEU C 1 15 ? -1.304 -13.973 -75.384 1.00 39.95 ? 17 LEU C CD1 1 ATOM 4480 C CD2 . LEU C 1 15 ? -3.676 -14.767 -75.505 1.00 47.17 ? 17 LEU C CD2 1 ATOM 4481 N N . HIS C 1 16 ? -1.391 -11.807 -72.283 1.00 29.25 ? 18 HIS C N 1 ATOM 4482 C CA . HIS C 1 16 ? -1.826 -10.421 -72.140 1.00 26.65 ? 18 HIS C CA 1 ATOM 4483 C C . HIS C 1 16 ? -2.175 -9.812 -73.485 1.00 23.48 ? 18 HIS C C 1 ATOM 4484 O O . HIS C 1 16 ? -1.352 -9.786 -74.401 1.00 23.86 ? 18 HIS C O 1 ATOM 4485 C CB . HIS C 1 16 ? -0.746 -9.586 -71.457 1.00 21.38 ? 18 HIS C CB 1 ATOM 4486 C CG . HIS C 1 16 ? -0.433 -10.037 -70.067 1.00 30.19 ? 18 HIS C CG 1 ATOM 4487 N ND1 . HIS C 1 16 ? 0.310 -11.167 -69.802 1.00 28.72 ? 18 HIS C ND1 1 ATOM 4488 C CD2 . HIS C 1 16 ? -0.782 -9.522 -68.865 1.00 29.18 ? 18 HIS C CD2 1 ATOM 4489 C CE1 . HIS C 1 16 ? 0.414 -11.325 -68.495 1.00 23.27 ? 18 HIS C CE1 1 ATOM 4490 N NE2 . HIS C 1 16 ? -0.238 -10.342 -67.904 1.00 27.59 ? 18 HIS C NE2 1 ATOM 4491 N N . SER C 1 17 ? -3.395 -9.311 -73.601 1.00 29.82 ? 19 SER C N 1 ATOM 4492 C CA . SER C 1 17 ? -3.846 -8.727 -74.859 1.00 31.42 ? 19 SER C CA 1 ATOM 4493 C C . SER C 1 17 ? -3.341 -7.299 -75.019 1.00 29.27 ? 19 SER C C 1 ATOM 4494 O O . SER C 1 17 ? -3.276 -6.545 -74.048 1.00 28.29 ? 19 SER C O 1 ATOM 4495 C CB . SER C 1 17 ? -5.370 -8.758 -74.949 1.00 28.12 ? 19 SER C CB 1 ATOM 4496 O OG . SER C 1 17 ? -5.938 -7.978 -73.915 1.00 43.60 ? 19 SER C OG 1 ATOM 4497 N N . GLY C 1 18 ? -2.977 -6.943 -76.250 1.00 24.27 ? 20 GLY C N 1 ATOM 4498 C CA . GLY C 1 18 ? -2.552 -5.595 -76.577 1.00 27.45 ? 20 GLY C CA 1 ATOM 4499 C C . GLY C 1 18 ? -3.177 -5.121 -77.879 1.00 30.21 ? 20 GLY C C 1 ATOM 4500 O O . GLY C 1 18 ? -3.742 -5.920 -78.626 1.00 25.13 ? 20 GLY C O 1 ATOM 4501 N N . PHE C 1 19 ? -3.090 -3.819 -78.147 1.00 28.03 ? 21 PHE C N 1 ATOM 4502 C CA . PHE C 1 19 ? -3.572 -3.258 -79.407 1.00 31.98 ? 21 PHE C CA 1 ATOM 4503 C C . PHE C 1 19 ? -2.431 -3.174 -80.412 1.00 34.45 ? 21 PHE C C 1 ATOM 4504 O O . PHE C 1 19 ? -1.775 -2.138 -80.533 1.00 39.03 ? 21 PHE C O 1 ATOM 4505 C CB . PHE C 1 19 ? -4.186 -1.867 -79.195 1.00 35.27 ? 21 PHE C CB 1 ATOM 4506 C CG . PHE C 1 19 ? -5.633 -1.888 -78.768 1.00 29.73 ? 21 PHE C CG 1 ATOM 4507 C CD1 . PHE C 1 19 ? -6.576 -2.612 -79.485 1.00 29.07 ? 21 PHE C CD1 1 ATOM 4508 C CD2 . PHE C 1 19 ? -6.049 -1.168 -77.657 1.00 30.13 ? 21 PHE C CD2 1 ATOM 4509 C CE1 . PHE C 1 19 ? -7.912 -2.625 -79.095 1.00 29.81 ? 21 PHE C CE1 1 ATOM 4510 C CE2 . PHE C 1 19 ? -7.378 -1.180 -77.261 1.00 31.56 ? 21 PHE C CE2 1 ATOM 4511 C CZ . PHE C 1 19 ? -8.311 -1.912 -77.984 1.00 28.99 ? 21 PHE C CZ 1 ATOM 4512 N N . GLY C 1 20 ? -2.190 -4.267 -81.128 1.00 30.21 ? 22 GLY C N 1 ATOM 4513 C CA . GLY C 1 20 ? -1.085 -4.325 -82.063 1.00 33.20 ? 22 GLY C CA 1 ATOM 4514 C C . GLY C 1 20 ? -0.087 -5.421 -81.744 1.00 33.39 ? 22 GLY C C 1 ATOM 4515 O O . GLY C 1 20 ? 1.003 -5.454 -82.311 1.00 39.37 ? 22 GLY C O 1 ATOM 4516 N N . GLY C 1 21 ? -0.459 -6.322 -80.841 1.00 24.05 ? 23 GLY C N 1 ATOM 4517 C CA . GLY C 1 21 ? 0.413 -7.418 -80.454 1.00 26.77 ? 23 GLY C CA 1 ATOM 4518 C C . GLY C 1 21 ? 0.197 -7.868 -79.018 1.00 28.44 ? 23 GLY C C 1 ATOM 4519 O O . GLY C 1 21 ? 0.036 -7.041 -78.121 1.00 26.48 ? 23 GLY C O 1 ATOM 4520 N N . ASN C 1 22 ? 0.190 -9.184 -78.803 1.00 26.73 ? 24 ASN C N 1 ATOM 4521 C CA . ASN C 1 22 ? -0.006 -9.753 -77.475 1.00 20.54 ? 24 ASN C CA 1 ATOM 4522 C C . ASN C 1 22 ? 1.322 -10.176 -76.841 1.00 23.70 ? 24 ASN C C 1 ATOM 4523 O O . ASN C 1 22 ? 2.355 -10.223 -77.516 1.00 17.80 ? 24 ASN C O 1 ATOM 4524 C CB . ASN C 1 22 ? -0.954 -10.952 -77.543 1.00 24.47 ? 24 ASN C CB 1 ATOM 4525 C CG . ASN C 1 22 ? -2.361 -10.568 -77.969 1.00 25.10 ? 24 ASN C CG 1 ATOM 4526 O OD1 . ASN C 1 22 ? -2.807 -9.440 -77.759 1.00 19.09 ? 24 ASN C OD1 1 ATOM 4527 N ND2 . ASN C 1 22 ? -3.072 -11.518 -78.562 1.00 26.16 ? 24 ASN C ND2 1 ATOM 4528 N N . VAL C 1 23 ? 1.278 -10.485 -75.545 1.00 21.37 ? 25 VAL C N 1 ATOM 4529 C CA . VAL C 1 23 ? 2.453 -10.919 -74.785 1.00 21.56 ? 25 VAL C CA 1 ATOM 4530 C C . VAL C 1 23 ? 2.143 -12.082 -73.835 1.00 24.95 ? 25 VAL C C 1 ATOM 4531 O O . VAL C 1 23 ? 1.185 -12.013 -73.069 1.00 29.47 ? 25 VAL C O 1 ATOM 4532 C CB . VAL C 1 23 ? 3.034 -9.753 -73.950 1.00 26.26 ? 25 VAL C CB 1 ATOM 4533 C CG1 . VAL C 1 23 ? 4.007 -10.268 -72.900 1.00 25.96 ? 25 VAL C CG1 1 ATOM 4534 C CG2 . VAL C 1 23 ? 3.687 -8.708 -74.848 1.00 20.77 ? 25 VAL C CG2 1 ATOM 4535 N N . TYR C 1 24 ? 2.944 -13.146 -73.895 1.00 30.68 ? 26 TYR C N 1 ATOM 4536 C CA . TYR C 1 24 ? 2.934 -14.188 -72.862 1.00 33.72 ? 26 TYR C CA 1 ATOM 4537 C C . TYR C 1 24 ? 3.948 -13.861 -71.759 1.00 31.42 ? 26 TYR C C 1 ATOM 4538 O O . TYR C 1 24 ? 5.064 -13.441 -72.051 1.00 28.43 ? 26 TYR C O 1 ATOM 4539 C CB . TYR C 1 24 ? 3.260 -15.567 -73.452 1.00 34.48 ? 26 TYR C CB 1 ATOM 4540 C CG . TYR C 1 24 ? 2.108 -16.270 -74.137 1.00 36.15 ? 26 TYR C CG 1 ATOM 4541 C CD1 . TYR C 1 24 ? 1.018 -16.725 -73.410 1.00 40.57 ? 26 TYR C CD1 1 ATOM 4542 C CD2 . TYR C 1 24 ? 2.127 -16.501 -75.507 1.00 39.76 ? 26 TYR C CD2 1 ATOM 4543 C CE1 . TYR C 1 24 ? -0.037 -17.377 -74.031 1.00 43.39 ? 26 TYR C CE1 1 ATOM 4544 C CE2 . TYR C 1 24 ? 1.080 -17.151 -76.137 1.00 43.31 ? 26 TYR C CE2 1 ATOM 4545 C CZ . TYR C 1 24 ? 0.000 -17.586 -75.394 1.00 48.33 ? 26 TYR C CZ 1 ATOM 4546 O OH . TYR C 1 24 ? -1.048 -18.235 -76.016 1.00 57.79 ? 26 TYR C OH 1 ATOM 4547 N N . SER C 1 25 ? 3.572 -14.061 -70.499 1.00 27.41 ? 27 SER C N 1 ATOM 4548 C CA . SER C 1 25 ? 4.514 -13.847 -69.401 1.00 30.27 ? 27 SER C CA 1 ATOM 4549 C C . SER C 1 25 ? 4.160 -14.690 -68.189 1.00 31.73 ? 27 SER C C 1 ATOM 4550 O O . SER C 1 25 ? 3.050 -15.213 -68.072 1.00 31.12 ? 27 SER C O 1 ATOM 4551 C CB . SER C 1 25 ? 4.574 -12.365 -68.995 1.00 29.33 ? 27 SER C CB 1 ATOM 4552 O OG . SER C 1 25 ? 3.404 -11.954 -68.302 1.00 26.26 ? 27 SER C OG 1 ATOM 4553 N N . MET C 1 26 ? 5.119 -14.801 -67.281 1.00 38.88 ? 28 MET C N 1 ATOM 4554 C CA . MET C 1 26 ? 4.953 -15.602 -66.082 1.00 43.90 ? 28 MET C CA 1 ATOM 4555 C C . MET C 1 26 ? 4.510 -14.743 -64.913 1.00 41.17 ? 28 MET C C 1 ATOM 4556 O O . MET C 1 26 ? 3.811 -15.212 -64.013 1.00 45.29 ? 28 MET C O 1 ATOM 4557 C CB . MET C 1 26 ? 6.255 -16.310 -65.745 1.00 42.22 ? 28 MET C CB 1 ATOM 4558 C CG . MET C 1 26 ? 6.681 -17.314 -66.780 1.00 35.67 ? 28 MET C CG 1 ATOM 4559 S SD . MET C 1 26 ? 8.107 -18.219 -66.174 1.00 43.26 ? 28 MET C SD 1 ATOM 4560 C CE . MET C 1 26 ? 9.207 -16.863 -65.786 1.00 52.64 ? 28 MET C CE 1 ATOM 4561 N N . LYS C 1 27 ? 4.921 -13.479 -64.946 1.00 35.39 ? 29 LYS C N 1 ATOM 4562 C CA . LYS C 1 27 ? 4.637 -12.535 -63.875 1.00 37.98 ? 29 LYS C CA 1 ATOM 4563 C C . LYS C 1 27 ? 3.896 -11.302 -64.387 1.00 38.10 ? 29 LYS C C 1 ATOM 4564 O O . LYS C 1 27 ? 3.872 -11.028 -65.591 1.00 36.33 ? 29 LYS C O 1 ATOM 4565 C CB . LYS C 1 27 ? 5.935 -12.093 -63.190 1.00 37.97 ? 29 LYS C CB 1 ATOM 4566 C CG . LYS C 1 27 ? 6.830 -13.227 -62.712 1.00 39.22 ? 29 LYS C CG 1 ATOM 4567 C CD . LYS C 1 27 ? 8.300 -12.841 -62.858 1.00 34.24 ? 29 LYS C CD 1 ATOM 4568 C CE . LYS C 1 27 ? 8.919 -12.396 -61.541 1.00 35.11 ? 29 LYS C CE 1 ATOM 4569 N NZ . LYS C 1 27 ? 8.083 -11.425 -60.787 1.00 35.56 ? 29 LYS C NZ 1 ATOM 4570 N N . THR C 1 28 ? 3.295 -10.567 -63.456 1.00 33.49 ? 30 THR C N 1 ATOM 4571 C CA . THR C 1 28 ? 2.697 -9.273 -63.745 1.00 32.01 ? 30 THR C CA 1 ATOM 4572 C C . THR C 1 28 ? 3.167 -8.255 -62.723 1.00 38.21 ? 30 THR C C 1 ATOM 4573 O O . THR C 1 28 ? 3.583 -8.609 -61.624 1.00 39.00 ? 30 THR C O 1 ATOM 4574 C CB . THR C 1 28 ? 1.150 -9.310 -63.731 1.00 35.13 ? 30 THR C CB 1 ATOM 4575 O OG1 . THR C 1 28 ? 0.691 -9.997 -62.561 1.00 43.03 ? 30 THR C OG1 1 ATOM 4576 C CG2 . THR C 1 28 ? 0.619 -10.011 -64.950 1.00 34.55 ? 30 THR C CG2 1 ATOM 4577 N N . GLU C 1 29 ? 3.110 -6.985 -63.094 1.00 47.03 ? 31 GLU C N 1 ATOM 4578 C CA . GLU C 1 29 ? 3.334 -5.917 -62.140 1.00 45.35 ? 31 GLU C CA 1 ATOM 4579 C C . GLU C 1 29 ? 2.261 -4.859 -62.329 1.00 46.09 ? 31 GLU C C 1 ATOM 4580 O O . GLU C 1 29 ? 2.062 -4.358 -63.436 1.00 46.97 ? 31 GLU C O 1 ATOM 4581 C CB . GLU C 1 29 ? 4.741 -5.327 -62.290 1.00 49.31 ? 31 GLU C CB 1 ATOM 4582 C CG . GLU C 1 29 ? 5.694 -5.771 -61.185 1.00 57.57 ? 31 GLU C CG 1 ATOM 4583 C CD . GLU C 1 29 ? 7.077 -6.146 -61.696 1.00 69.76 ? 31 GLU C CD 1 ATOM 4584 O OE1 . GLU C 1 29 ? 7.656 -5.373 -62.489 1.00 71.12 ? 31 GLU C OE1 1 ATOM 4585 O OE2 . GLU C 1 29 ? 7.584 -7.222 -61.302 1.00 67.99 ? 31 GLU C OE2 1 ATOM 4586 N N . PRO C 1 30 ? 1.542 -4.537 -61.247 1.00 41.83 ? 32 PRO C N 1 ATOM 4587 C CA . PRO C 1 30 ? 0.453 -3.552 -61.286 1.00 43.79 ? 32 PRO C CA 1 ATOM 4588 C C . PRO C 1 30 ? 0.941 -2.186 -61.765 1.00 37.90 ? 32 PRO C C 1 ATOM 4589 O O . PRO C 1 30 ? 2.081 -1.818 -61.513 1.00 37.63 ? 32 PRO C O 1 ATOM 4590 C CB . PRO C 1 30 ? -0.033 -3.498 -59.829 1.00 44.96 ? 32 PRO C CB 1 ATOM 4591 C CG . PRO C 1 30 ? 1.094 -4.102 -59.013 1.00 49.18 ? 32 PRO C CG 1 ATOM 4592 C CD . PRO C 1 30 ? 1.718 -5.125 -59.908 1.00 45.00 ? 32 PRO C CD 1 ATOM 4593 N N . MET C 1 31 ? 0.083 -1.458 -62.465 1.00 40.42 ? 33 MET C N 1 ATOM 4594 C CA . MET C 1 31 ? 0.471 -0.191 -63.068 1.00 43.66 ? 33 MET C CA 1 ATOM 4595 C C . MET C 1 31 ? 0.348 0.959 -62.080 1.00 47.82 ? 33 MET C C 1 ATOM 4596 O O . MET C 1 31 ? 1.038 1.970 -62.196 1.00 49.23 ? 33 MET C O 1 ATOM 4597 C CB . MET C 1 31 ? -0.386 0.093 -64.300 1.00 39.04 ? 33 MET C CB 1 ATOM 4598 C CG . MET C 1 31 ? -0.174 -0.898 -65.428 1.00 43.51 ? 33 MET C CG 1 ATOM 4599 S SD . MET C 1 31 ? -0.984 -0.406 -66.960 1.00 42.46 ? 33 MET C SD 1 ATOM 4600 C CE . MET C 1 31 ? -2.682 -0.568 -66.473 1.00 39.67 ? 33 MET C CE 1 ATOM 4601 N N . THR C 1 32 ? -0.540 0.794 -61.108 1.00 51.96 ? 34 THR C N 1 ATOM 4602 C CA . THR C 1 32 ? -0.821 1.837 -60.137 1.00 49.98 ? 34 THR C CA 1 ATOM 4603 C C . THR C 1 32 ? -1.118 1.201 -58.780 1.00 47.66 ? 34 THR C C 1 ATOM 4604 O O . THR C 1 32 ? -1.033 -0.018 -58.633 1.00 43.76 ? 34 THR C O 1 ATOM 4605 C CB . THR C 1 32 ? -2.005 2.709 -60.596 1.00 47.43 ? 34 THR C CB 1 ATOM 4606 O OG1 . THR C 1 32 ? -2.085 3.886 -59.785 1.00 43.79 ? 34 THR C OG1 1 ATOM 4607 C CG2 . THR C 1 32 ? -3.318 1.927 -60.516 1.00 49.44 ? 34 THR C CG2 1 ATOM 4608 N N . GLY C 1 33 ? -1.452 2.022 -57.789 1.00 40.80 ? 35 GLY C N 1 ATOM 4609 C CA . GLY C 1 33 ? -1.779 1.508 -56.473 1.00 41.71 ? 35 GLY C CA 1 ATOM 4610 C C . GLY C 1 33 ? -2.541 2.496 -55.612 1.00 40.21 ? 35 GLY C C 1 ATOM 4611 O O . GLY C 1 33 ? -3.125 3.459 -56.108 1.00 35.36 ? 35 GLY C O 1 ATOM 4612 N N . PHE C 1 34 ? -2.542 2.249 -54.308 1.00 39.28 ? 36 PHE C N 1 ATOM 4613 C CA . PHE C 1 34 ? -3.179 3.162 -53.380 1.00 38.92 ? 36 PHE C CA 1 ATOM 4614 C C . PHE C 1 34 ? -2.146 4.115 -52.783 1.00 41.08 ? 36 PHE C C 1 ATOM 4615 O O . PHE C 1 34 ? -0.995 3.738 -52.543 1.00 40.27 ? 36 PHE C O 1 ATOM 4616 C CB . PHE C 1 34 ? -3.905 2.390 -52.278 1.00 40.75 ? 36 PHE C CB 1 ATOM 4617 C CG . PHE C 1 34 ? -5.007 1.505 -52.788 1.00 41.92 ? 36 PHE C CG 1 ATOM 4618 C CD1 . PHE C 1 34 ? -5.870 1.953 -53.778 1.00 37.19 ? 36 PHE C CD1 1 ATOM 4619 C CD2 . PHE C 1 34 ? -5.168 0.219 -52.291 1.00 42.89 ? 36 PHE C CD2 1 ATOM 4620 C CE1 . PHE C 1 34 ? -6.885 1.141 -54.257 1.00 42.39 ? 36 PHE C CE1 1 ATOM 4621 C CE2 . PHE C 1 34 ? -6.182 -0.605 -52.769 1.00 46.43 ? 36 PHE C CE2 1 ATOM 4622 C CZ . PHE C 1 34 ? -7.043 -0.142 -53.752 1.00 44.92 ? 36 PHE C CZ 1 ATOM 4623 N N . THR C 1 35 ? -2.565 5.358 -52.571 1.00 30.19 ? 37 THR C N 1 ATOM 4624 C CA . THR C 1 35 ? -1.738 6.356 -51.912 1.00 28.89 ? 37 THR C CA 1 ATOM 4625 C C . THR C 1 35 ? -2.110 6.405 -50.432 1.00 25.46 ? 37 THR C C 1 ATOM 4626 O O . THR C 1 35 ? -3.287 6.333 -50.078 1.00 21.83 ? 37 THR C O 1 ATOM 4627 C CB . THR C 1 35 ? -1.908 7.753 -52.558 1.00 27.07 ? 37 THR C CB 1 ATOM 4628 O OG1 . THR C 1 35 ? -1.404 7.724 -53.897 1.00 25.81 ? 37 THR C OG1 1 ATOM 4629 C CG2 . THR C 1 35 ? -1.147 8.813 -51.769 1.00 28.68 ? 37 THR C CG2 1 ATOM 4630 N N . ASN C 1 36 ? -1.105 6.499 -49.569 1.00 28.70 ? 38 ASN C N 1 ATOM 4631 C CA . ASN C 1 36 ? -1.350 6.610 -48.141 1.00 24.79 ? 38 ASN C CA 1 ATOM 4632 C C . ASN C 1 36 ? -2.116 7.874 -47.809 1.00 27.73 ? 38 ASN C C 1 ATOM 4633 O O . ASN C 1 36 ? -1.960 8.907 -48.470 1.00 26.63 ? 38 ASN C O 1 ATOM 4634 C CB . ASN C 1 36 ? -0.039 6.566 -47.363 1.00 25.05 ? 38 ASN C CB 1 ATOM 4635 C CG . ASN C 1 36 ? 0.557 5.177 -47.327 1.00 30.78 ? 38 ASN C CG 1 ATOM 4636 O OD1 . ASN C 1 36 ? -0.077 4.224 -47.769 1.00 28.87 ? 38 ASN C OD1 1 ATOM 4637 N ND2 . ASN C 1 36 ? 1.772 5.048 -46.790 1.00 36.02 ? 38 ASN C ND2 1 ATOM 4638 N N . VAL C 1 37 ? -2.972 7.768 -46.798 1.00 28.37 ? 39 VAL C N 1 ATOM 4639 C CA . VAL C 1 37 ? -3.730 8.903 -46.309 1.00 29.35 ? 39 VAL C CA 1 ATOM 4640 C C . VAL C 1 37 ? -3.291 9.234 -44.889 1.00 29.78 ? 39 VAL C C 1 ATOM 4641 O O . VAL C 1 37 ? -3.397 8.399 -43.973 1.00 25.26 ? 39 VAL C O 1 ATOM 4642 C CB . VAL C 1 37 ? -5.242 8.632 -46.350 1.00 28.13 ? 39 VAL C CB 1 ATOM 4643 C CG1 . VAL C 1 37 ? -6.015 9.851 -45.853 1.00 27.61 ? 39 VAL C CG1 1 ATOM 4644 C CG2 . VAL C 1 37 ? -5.666 8.275 -47.775 1.00 31.90 ? 39 VAL C CG2 1 ATOM 4645 N N . THR C 1 38 ? -2.783 10.452 -44.717 1.00 17.78 ? 40 THR C N 1 ATOM 4646 C CA . THR C 1 38 ? -2.277 10.892 -43.427 1.00 15.60 ? 40 THR C CA 1 ATOM 4647 C C . THR C 1 38 ? -3.280 11.784 -42.730 1.00 19.35 ? 40 THR C C 1 ATOM 4648 O O . THR C 1 38 ? -3.735 12.781 -43.297 1.00 18.31 ? 40 THR C O 1 ATOM 4649 C CB . THR C 1 38 ? -0.962 11.669 -43.562 1.00 20.24 ? 40 THR C CB 1 ATOM 4650 O OG1 . THR C 1 38 ? -0.050 10.928 -44.379 1.00 17.58 ? 40 THR C OG1 1 ATOM 4651 C CG2 . THR C 1 38 ? -0.349 11.920 -42.177 1.00 12.25 ? 40 THR C CG2 1 ATOM 4652 N N . LYS C 1 39 ? -3.615 11.438 -41.494 1.00 21.09 ? 41 LYS C N 1 ATOM 4653 C CA . LYS C 1 39 ? -4.529 12.263 -40.719 1.00 28.18 ? 41 LYS C CA 1 ATOM 4654 C C . LYS C 1 39 ? -3.858 13.565 -40.295 1.00 31.08 ? 41 LYS C C 1 ATOM 4655 O O . LYS C 1 39 ? -2.643 13.616 -40.071 1.00 29.28 ? 41 LYS C O 1 ATOM 4656 C CB . LYS C 1 39 ? -5.046 11.499 -39.497 1.00 29.67 ? 41 LYS C CB 1 ATOM 4657 C CG . LYS C 1 39 ? -6.192 10.550 -39.832 1.00 31.07 ? 41 LYS C CG 1 ATOM 4658 C CD . LYS C 1 39 ? -6.911 10.078 -38.577 1.00 40.07 ? 41 LYS C CD 1 ATOM 4659 C CE . LYS C 1 39 ? -8.167 9.281 -38.930 1.00 48.75 ? 41 LYS C CE 1 ATOM 4660 N NZ . LYS C 1 39 ? -7.870 8.052 -39.725 1.00 52.77 ? 41 LYS C NZ 1 ATOM 4661 N N . GLY C 1 40 ? -4.651 14.625 -40.212 1.00 26.31 ? 42 GLY C N 1 ATOM 4662 C CA . GLY C 1 40 ? -4.132 15.909 -39.792 1.00 24.44 ? 42 GLY C CA 1 ATOM 4663 C C . GLY C 1 40 ? -4.322 17.030 -40.797 1.00 24.91 ? 42 GLY C C 1 ATOM 4664 O O . GLY C 1 40 ? -5.043 16.901 -41.786 1.00 23.35 ? 42 GLY C O 1 ATOM 4665 N N . ALA C 1 41 ? -3.652 18.143 -40.532 1.00 26.75 ? 43 ALA C N 1 ATOM 4666 C CA . ALA C 1 41 ? -3.804 19.340 -41.335 1.00 24.35 ? 43 ALA C CA 1 ATOM 4667 C C . ALA C 1 41 ? -2.652 19.462 -42.306 1.00 20.69 ? 43 ALA C C 1 ATOM 4668 O O . ALA C 1 41 ? -1.553 19.023 -42.027 1.00 23.83 ? 43 ALA C O 1 ATOM 4669 C CB . ALA C 1 41 ? -3.890 20.578 -40.439 1.00 22.08 ? 43 ALA C CB 1 ATOM 4670 N N . SER C 1 42 ? -2.913 20.054 -43.459 1.00 21.04 ? 44 SER C N 1 ATOM 4671 C CA . SER C 1 42 ? -1.864 20.310 -44.424 1.00 19.25 ? 44 SER C CA 1 ATOM 4672 C C . SER C 1 42 ? -2.367 21.386 -45.382 1.00 20.31 ? 44 SER C C 1 ATOM 4673 O O . SER C 1 42 ? -3.469 21.926 -45.205 1.00 15.75 ? 44 SER C O 1 ATOM 4674 C CB . SER C 1 42 ? -1.486 19.024 -45.167 1.00 20.71 ? 44 SER C CB 1 ATOM 4675 O OG . SER C 1 42 ? -0.258 19.161 -45.850 1.00 20.88 ? 44 SER C OG 1 ATOM 4676 N N . VAL C 1 43 ? -1.555 21.708 -46.380 1.00 16.09 ? 45 VAL C N 1 ATOM 4677 C CA . VAL C 1 43 ? -1.932 22.684 -47.391 1.00 19.44 ? 45 VAL C CA 1 ATOM 4678 C C . VAL C 1 43 ? -1.343 22.233 -48.720 1.00 22.68 ? 45 VAL C C 1 ATOM 4679 O O . VAL C 1 43 ? -0.348 21.506 -48.735 1.00 20.30 ? 45 VAL C O 1 ATOM 4680 C CB . VAL C 1 43 ? -1.431 24.115 -47.054 1.00 17.85 ? 45 VAL C CB 1 ATOM 4681 C CG1 . VAL C 1 43 ? -2.206 24.719 -45.893 1.00 15.45 ? 45 VAL C CG1 1 ATOM 4682 C CG2 . VAL C 1 43 ? 0.054 24.097 -46.752 1.00 19.65 ? 45 VAL C CG2 1 ATOM 4683 N N . ILE C 1 44 ? -1.951 22.658 -49.827 1.00 25.77 ? 46 ILE C N 1 ATOM 4684 C CA . ILE C 1 44 ? -1.454 22.295 -51.152 1.00 26.64 ? 46 ILE C CA 1 ATOM 4685 C C . ILE C 1 44 ? -0.601 23.406 -51.773 1.00 29.92 ? 46 ILE C C 1 ATOM 4686 O O . ILE C 1 44 ? 0.080 23.185 -52.779 1.00 30.73 ? 46 ILE C O 1 ATOM 4687 C CB . ILE C 1 44 ? -2.606 21.960 -52.115 1.00 26.71 ? 46 ILE C CB 1 ATOM 4688 C CG1 . ILE C 1 44 ? -3.444 23.207 -52.399 1.00 22.13 ? 46 ILE C CG1 1 ATOM 4689 C CG2 . ILE C 1 44 ? -3.475 20.824 -51.549 1.00 23.51 ? 46 ILE C CG2 1 ATOM 4690 C CD1 . ILE C 1 44 ? -4.598 22.952 -53.341 1.00 24.18 ? 46 ILE C CD1 1 ATOM 4691 N N . ASN C 1 45 ? -0.650 24.598 -51.181 1.00 24.20 ? 47 ASN C N 1 ATOM 4692 C CA . ASN C 1 45 ? 0.148 25.733 -51.653 1.00 26.37 ? 47 ASN C CA 1 ATOM 4693 C C . ASN C 1 45 ? 0.754 26.479 -50.471 1.00 22.71 ? 47 ASN C C 1 ATOM 4694 O O . ASN C 1 45 ? 0.061 27.225 -49.779 1.00 24.19 ? 47 ASN C O 1 ATOM 4695 C CB . ASN C 1 45 ? -0.697 26.695 -52.500 1.00 19.99 ? 47 ASN C CB 1 ATOM 4696 C CG . ASN C 1 45 ? 0.139 27.810 -53.154 1.00 21.94 ? 47 ASN C CG 1 ATOM 4697 O OD1 . ASN C 1 45 ? 1.282 28.074 -52.772 1.00 24.30 ? 47 ASN C OD1 1 ATOM 4698 N ND2 . ASN C 1 45 ? -0.439 28.461 -54.146 1.00 15.36 ? 47 ASN C ND2 1 ATOM 4699 N N . GLN C 1 46 ? 2.050 26.293 -50.262 1.00 22.68 ? 48 GLN C N 1 ATOM 4700 C CA . GLN C 1 46 ? 2.731 26.860 -49.105 1.00 25.60 ? 48 GLN C CA 1 ATOM 4701 C C . GLN C 1 46 ? 2.768 28.384 -49.112 1.00 24.81 ? 48 GLN C C 1 ATOM 4702 O O . GLN C 1 46 ? 2.967 28.996 -48.065 1.00 24.99 ? 48 GLN C O 1 ATOM 4703 C CB . GLN C 1 46 ? 4.157 26.310 -49.016 1.00 24.24 ? 48 GLN C CB 1 ATOM 4704 C CG . GLN C 1 46 ? 4.261 24.950 -48.346 1.00 24.06 ? 48 GLN C CG 1 ATOM 4705 C CD . GLN C 1 46 ? 3.844 24.988 -46.884 1.00 28.62 ? 48 GLN C CD 1 ATOM 4706 O OE1 . GLN C 1 46 ? 3.840 26.049 -46.250 1.00 29.65 ? 48 GLN C OE1 1 ATOM 4707 N NE2 . GLN C 1 46 ? 3.501 23.826 -46.336 1.00 24.89 ? 48 GLN C NE2 1 ATOM 4708 N N . LYS C 1 47 ? 2.569 28.998 -50.278 1.00 21.17 ? 49 LYS C N 1 ATOM 4709 C CA . LYS C 1 47 ? 2.675 30.451 -50.379 1.00 25.50 ? 49 LYS C CA 1 ATOM 4710 C C . LYS C 1 47 ? 1.310 31.129 -50.423 1.00 27.10 ? 49 LYS C C 1 ATOM 4711 O O . LYS C 1 47 ? 1.216 32.341 -50.627 1.00 29.32 ? 49 LYS C O 1 ATOM 4712 C CB . LYS C 1 47 ? 3.490 30.848 -51.614 1.00 28.03 ? 49 LYS C CB 1 ATOM 4713 C CG . LYS C 1 47 ? 4.741 30.011 -51.824 1.00 35.30 ? 49 LYS C CG 1 ATOM 4714 C CD . LYS C 1 47 ? 5.802 30.307 -50.772 1.00 33.74 ? 49 LYS C CD 1 ATOM 4715 C CE . LYS C 1 47 ? 7.094 29.583 -51.107 1.00 37.41 ? 49 LYS C CE 1 ATOM 4716 N NZ . LYS C 1 47 ? 8.186 29.815 -50.121 1.00 42.37 ? 49 LYS C NZ 1 ATOM 4717 N N . ASP C 1 48 ? 0.251 30.357 -50.229 1.00 28.03 ? 50 ASP C N 1 ATOM 4718 C CA . ASP C 1 48 ? -1.086 30.935 -50.227 1.00 25.22 ? 50 ASP C CA 1 ATOM 4719 C C . ASP C 1 48 ? -1.978 30.292 -49.163 1.00 23.43 ? 50 ASP C C 1 ATOM 4720 O O . ASP C 1 48 ? -3.067 29.788 -49.455 1.00 22.35 ? 50 ASP C O 1 ATOM 4721 C CB . ASP C 1 48 ? -1.734 30.805 -51.610 1.00 24.03 ? 50 ASP C CB 1 ATOM 4722 C CG . ASP C 1 48 ? -2.864 31.805 -51.815 1.00 31.35 ? 50 ASP C CG 1 ATOM 4723 O OD1 . ASP C 1 48 ? -3.220 32.517 -50.842 1.00 26.95 ? 50 ASP C OD1 1 ATOM 4724 O OD2 . ASP C 1 48 ? -3.402 31.872 -52.943 1.00 34.01 ? 50 ASP C OD2 1 ATOM 4725 N N . TRP C 1 49 ? -1.501 30.299 -47.926 1.00 21.03 ? 51 TRP C N 1 ATOM 4726 C CA . TRP C 1 49 ? -2.359 29.968 -46.804 1.00 19.40 ? 51 TRP C CA 1 ATOM 4727 C C . TRP C 1 49 ? -2.055 30.853 -45.632 1.00 19.19 ? 51 TRP C C 1 ATOM 4728 O O . TRP C 1 49 ? -1.042 31.547 -45.607 1.00 15.92 ? 51 TRP C O 1 ATOM 4729 C CB . TRP C 1 49 ? -2.229 28.497 -46.396 1.00 17.38 ? 51 TRP C CB 1 ATOM 4730 C CG . TRP C 1 49 ? -0.929 28.059 -45.760 1.00 16.78 ? 51 TRP C CG 1 ATOM 4731 C CD1 . TRP C 1 49 ? 0.220 27.706 -46.407 1.00 19.13 ? 51 TRP C CD1 1 ATOM 4732 C CD2 . TRP C 1 49 ? -0.678 27.850 -44.360 1.00 14.17 ? 51 TRP C CD2 1 ATOM 4733 N NE1 . TRP C 1 49 ? 1.176 27.316 -45.499 1.00 20.19 ? 51 TRP C NE1 1 ATOM 4734 C CE2 . TRP C 1 49 ? 0.649 27.392 -44.233 1.00 17.71 ? 51 TRP C CE2 1 ATOM 4735 C CE3 . TRP C 1 49 ? -1.442 28.017 -43.198 1.00 16.48 ? 51 TRP C CE3 1 ATOM 4736 C CZ2 . TRP C 1 49 ? 1.228 27.096 -42.999 1.00 16.71 ? 51 TRP C CZ2 1 ATOM 4737 C CZ3 . TRP C 1 49 ? -0.866 27.727 -41.968 1.00 13.12 ? 51 TRP C CZ3 1 ATOM 4738 C CH2 . TRP C 1 49 ? 0.456 27.272 -41.881 1.00 16.80 ? 51 TRP C CH2 1 ATOM 4739 N N . ILE C 1 50 ? -2.955 30.822 -44.659 1.00 21.67 ? 52 ILE C N 1 ATOM 4740 C CA . ILE C 1 50 ? -2.768 31.570 -43.437 1.00 21.60 ? 52 ILE C CA 1 ATOM 4741 C C . ILE C 1 50 ? -3.397 30.834 -42.253 1.00 19.16 ? 52 ILE C C 1 ATOM 4742 O O . ILE C 1 50 ? -4.417 30.155 -42.394 1.00 17.59 ? 52 ILE C O 1 ATOM 4743 C CB . ILE C 1 50 ? -3.354 32.985 -43.564 1.00 22.38 ? 52 ILE C CB 1 ATOM 4744 C CG1 . ILE C 1 50 ? -3.122 33.760 -42.266 1.00 25.61 ? 52 ILE C CG1 1 ATOM 4745 C CG2 . ILE C 1 50 ? -4.840 32.930 -43.942 1.00 18.07 ? 52 ILE C CG2 1 ATOM 4746 C CD1 . ILE C 1 50 ? -3.142 35.226 -42.427 1.00 23.49 ? 52 ILE C CD1 1 ATOM 4747 N N . GLY C 1 51 ? -2.758 30.954 -41.094 1.00 19.35 ? 53 GLY C N 1 ATOM 4748 C CA . GLY C 1 51 ? -3.263 30.374 -39.867 1.00 15.62 ? 53 GLY C CA 1 ATOM 4749 C C . GLY C 1 51 ? -3.719 31.464 -38.920 1.00 20.00 ? 53 GLY C C 1 ATOM 4750 O O . GLY C 1 51 ? -3.180 32.575 -38.924 1.00 18.71 ? 53 GLY C O 1 ATOM 4751 N N . PHE C 1 52 ? -4.738 31.153 -38.126 1.00 18.64 ? 54 PHE C N 1 ATOM 4752 C CA . PHE C 1 52 ? -5.175 32.026 -37.048 1.00 15.13 ? 54 PHE C CA 1 ATOM 4753 C C . PHE C 1 52 ? -5.148 31.235 -35.753 1.00 15.35 ? 54 PHE C C 1 ATOM 4754 O O . PHE C 1 52 ? -5.727 30.145 -35.667 1.00 14.54 ? 54 PHE C O 1 ATOM 4755 C CB . PHE C 1 52 ? -6.575 32.582 -37.321 1.00 18.74 ? 54 PHE C CB 1 ATOM 4756 C CG . PHE C 1 52 ? -6.690 33.353 -38.620 1.00 17.96 ? 54 PHE C CG 1 ATOM 4757 C CD1 . PHE C 1 52 ? -6.162 34.630 -38.731 1.00 19.16 ? 54 PHE C CD1 1 ATOM 4758 C CD2 . PHE C 1 52 ? -7.336 32.801 -39.720 1.00 18.74 ? 54 PHE C CD2 1 ATOM 4759 C CE1 . PHE C 1 52 ? -6.276 35.345 -39.918 1.00 23.84 ? 54 PHE C CE1 1 ATOM 4760 C CE2 . PHE C 1 52 ? -7.456 33.507 -40.909 1.00 18.84 ? 54 PHE C CE2 1 ATOM 4761 C CZ . PHE C 1 52 ? -6.928 34.782 -41.009 1.00 21.98 ? 54 PHE C CZ 1 ATOM 4762 N N . GLY C 1 53 ? -4.466 31.760 -34.740 1.00 18.18 ? 55 GLY C N 1 ATOM 4763 C CA . GLY C 1 53 ? -4.341 31.014 -33.509 1.00 14.96 ? 55 GLY C CA 1 ATOM 4764 C C . GLY C 1 53 ? -3.965 31.756 -32.248 1.00 19.11 ? 55 GLY C C 1 ATOM 4765 O O . GLY C 1 53 ? -4.161 32.968 -32.121 1.00 18.74 ? 55 GLY C O 1 ATOM 4766 N N . ASP C 1 54 ? -3.420 30.994 -31.304 1.00 17.37 ? 56 ASP C N 1 ATOM 4767 C CA . ASP C 1 54 ? -3.133 31.488 -29.973 1.00 17.23 ? 56 ASP C CA 1 ATOM 4768 C C . ASP C 1 54 ? -1.708 31.101 -29.572 1.00 17.96 ? 56 ASP C C 1 ATOM 4769 O O . ASP C 1 54 ? -0.855 30.894 -30.442 1.00 16.34 ? 56 ASP C O 1 ATOM 4770 C CB . ASP C 1 54 ? -4.168 30.947 -28.976 1.00 19.57 ? 56 ASP C CB 1 ATOM 4771 C CG . ASP C 1 54 ? -4.288 29.420 -29.002 1.00 20.33 ? 56 ASP C CG 1 ATOM 4772 O OD1 . ASP C 1 54 ? -5.419 28.922 -28.792 1.00 16.90 ? 56 ASP C OD1 1 ATOM 4773 O OD2 . ASP C 1 54 ? -3.265 28.723 -29.212 1.00 16.07 ? 56 ASP C OD2 1 ATOM 4774 N N . SER C 1 55 ? -1.458 30.984 -28.268 1.00 20.57 ? 57 SER C N 1 ATOM 4775 C CA . SER C 1 55 ? -0.115 30.670 -27.756 1.00 20.95 ? 57 SER C CA 1 ATOM 4776 C C . SER C 1 55 ? 0.525 29.439 -28.399 1.00 19.85 ? 57 SER C C 1 ATOM 4777 O O . SER C 1 55 ? 1.747 29.360 -28.507 1.00 19.46 ? 57 SER C O 1 ATOM 4778 C CB . SER C 1 55 ? -0.159 30.472 -26.242 1.00 20.99 ? 57 SER C CB 1 ATOM 4779 O OG . SER C 1 55 ? -1.055 29.428 -25.883 1.00 26.99 ? 57 SER C OG 1 ATOM 4780 N N . ARG C 1 56 ? -0.297 28.485 -28.834 1.00 21.65 ? 58 ARG C N 1 ATOM 4781 C CA . ARG C 1 56 ? 0.215 27.209 -29.340 1.00 19.53 ? 58 ARG C CA 1 ATOM 4782 C C . ARG C 1 56 ? 0.805 27.287 -30.749 1.00 20.09 ? 58 ARG C C 1 ATOM 4783 O O . ARG C 1 56 ? 1.367 26.306 -31.238 1.00 18.94 ? 58 ARG C O 1 ATOM 4784 C CB . ARG C 1 56 ? -0.886 26.154 -29.304 1.00 18.15 ? 58 ARG C CB 1 ATOM 4785 C CG . ARG C 1 56 ? -1.184 25.648 -27.897 1.00 20.41 ? 58 ARG C CG 1 ATOM 4786 C CD . ARG C 1 56 ? -2.653 25.308 -27.717 1.00 19.43 ? 58 ARG C CD 1 ATOM 4787 N NE . ARG C 1 56 ? -2.902 24.684 -26.423 1.00 17.23 ? 58 ARG C NE 1 ATOM 4788 C CZ . ARG C 1 56 ? -4.016 24.034 -26.121 1.00 21.91 ? 58 ARG C CZ 1 ATOM 4789 N NH1 . ARG C 1 56 ? -4.986 23.929 -27.020 1.00 22.32 ? 58 ARG C NH1 1 ATOM 4790 N NH2 . ARG C 1 56 ? -4.163 23.490 -24.922 1.00 27.09 ? 58 ARG C NH2 1 ATOM 4791 N N . THR C 1 57 ? 0.669 28.447 -31.392 1.00 14.94 ? 59 THR C N 1 ATOM 4792 C CA . THR C 1 57 ? 1.356 28.727 -32.647 1.00 20.31 ? 59 THR C CA 1 ATOM 4793 C C . THR C 1 57 ? 2.090 30.072 -32.604 1.00 20.47 ? 59 THR C C 1 ATOM 4794 O O . THR C 1 57 ? 2.436 30.617 -33.646 1.00 20.75 ? 59 THR C O 1 ATOM 4795 C CB . THR C 1 57 ? 0.386 28.744 -33.844 1.00 18.57 ? 59 THR C CB 1 ATOM 4796 O OG1 . THR C 1 57 ? -0.646 29.715 -33.614 1.00 20.71 ? 59 THR C OG1 1 ATOM 4797 C CG2 . THR C 1 57 ? -0.237 27.364 -34.067 1.00 17.08 ? 59 THR C CG2 1 ATOM 4798 N N . ASP C 1 58 ? 2.323 30.594 -31.400 1.00 20.84 ? 60 ASP C N 1 ATOM 4799 C CA . ASP C 1 58 ? 2.878 31.939 -31.213 1.00 20.53 ? 60 ASP C CA 1 ATOM 4800 C C . ASP C 1 58 ? 4.378 31.896 -30.948 1.00 22.05 ? 60 ASP C C 1 ATOM 4801 O O . ASP C 1 58 ? 4.805 31.618 -29.827 1.00 23.50 ? 60 ASP C O 1 ATOM 4802 C CB . ASP C 1 58 ? 2.157 32.646 -30.057 1.00 20.16 ? 60 ASP C CB 1 ATOM 4803 C CG . ASP C 1 58 ? 2.717 34.046 -29.755 1.00 22.55 ? 60 ASP C CG 1 ATOM 4804 O OD1 . ASP C 1 58 ? 3.596 34.547 -30.486 1.00 24.93 ? 60 ASP C OD1 1 ATOM 4805 O OD2 . ASP C 1 58 ? 2.270 34.652 -28.761 1.00 23.42 ? 60 ASP C OD2 1 ATOM 4806 N N . LEU C 1 59 ? 5.167 32.201 -31.975 1.00 16.58 ? 61 LEU C N 1 ATOM 4807 C CA . LEU C 1 59 ? 6.626 32.102 -31.888 1.00 22.92 ? 61 LEU C CA 1 ATOM 4808 C C . LEU C 1 59 ? 7.274 33.139 -30.947 1.00 23.28 ? 61 LEU C C 1 ATOM 4809 O O . LEU C 1 59 ? 8.469 33.053 -30.658 1.00 20.75 ? 61 LEU C O 1 ATOM 4810 C CB . LEU C 1 59 ? 7.244 32.221 -33.290 1.00 19.11 ? 61 LEU C CB 1 ATOM 4811 C CG . LEU C 1 59 ? 7.002 33.506 -34.097 1.00 17.51 ? 61 LEU C CG 1 ATOM 4812 C CD1 . LEU C 1 59 ? 8.048 34.563 -33.781 1.00 18.77 ? 61 LEU C CD1 1 ATOM 4813 C CD2 . LEU C 1 59 ? 6.963 33.219 -35.605 1.00 16.77 ? 61 LEU C CD2 1 ATOM 4814 N N . THR C 1 60 ? 6.496 34.116 -30.486 1.00 20.98 ? 62 THR C N 1 ATOM 4815 C CA . THR C 1 60 ? 7.024 35.134 -29.591 1.00 23.74 ? 62 THR C CA 1 ATOM 4816 C C . THR C 1 60 ? 6.743 34.773 -28.145 1.00 22.70 ? 62 THR C C 1 ATOM 4817 O O . THR C 1 60 ? 7.055 35.538 -27.241 1.00 27.29 ? 62 THR C O 1 ATOM 4818 C CB . THR C 1 60 ? 6.436 36.539 -29.878 1.00 24.77 ? 62 THR C CB 1 ATOM 4819 O OG1 . THR C 1 60 ? 5.163 36.678 -29.238 1.00 24.83 ? 62 THR C OG1 1 ATOM 4820 C CG2 . THR C 1 60 ? 6.285 36.776 -31.375 1.00 19.40 ? 62 THR C CG2 1 ATOM 4821 N N . ASN C 1 61 ? 6.141 33.607 -27.930 1.00 27.72 ? 63 ASN C N 1 ATOM 4822 C CA . ASN C 1 61 ? 5.970 33.078 -26.583 1.00 24.23 ? 63 ASN C CA 1 ATOM 4823 C C . ASN C 1 61 ? 7.337 32.817 -25.944 1.00 27.19 ? 63 ASN C C 1 ATOM 4824 O O . ASN C 1 61 ? 8.251 32.311 -26.604 1.00 28.44 ? 63 ASN C O 1 ATOM 4825 C CB . ASN C 1 61 ? 5.132 31.792 -26.613 1.00 27.42 ? 63 ASN C CB 1 ATOM 4826 C CG . ASN C 1 61 ? 4.672 31.358 -25.230 1.00 27.31 ? 63 ASN C CG 1 ATOM 4827 O OD1 . ASN C 1 61 ? 5.471 30.891 -24.421 1.00 29.92 ? 63 ASN C OD1 1 ATOM 4828 N ND2 . ASN C 1 61 ? 3.377 31.502 -24.956 1.00 25.88 ? 63 ASN C ND2 1 ATOM 4829 N N . ASP C 1 62 ? 7.471 33.173 -24.670 1.00 32.74 ? 64 ASP C N 1 ATOM 4830 C CA . ASP C 1 62 ? 8.707 32.968 -23.916 1.00 39.19 ? 64 ASP C CA 1 ATOM 4831 C C . ASP C 1 62 ? 9.166 31.515 -23.899 1.00 35.12 ? 64 ASP C C 1 ATOM 4832 O O . ASP C 1 62 ? 10.362 31.241 -23.862 1.00 37.22 ? 64 ASP C O 1 ATOM 4833 C CB . ASP C 1 62 ? 8.536 33.446 -22.471 1.00 43.22 ? 64 ASP C CB 1 ATOM 4834 C CG . ASP C 1 62 ? 8.316 34.932 -22.372 1.00 46.03 ? 64 ASP C CG 1 ATOM 4835 O OD1 . ASP C 1 62 ? 8.956 35.677 -23.148 1.00 54.65 ? 64 ASP C OD1 1 ATOM 4836 O OD2 . ASP C 1 62 ? 7.493 35.354 -21.529 1.00 51.61 ? 64 ASP C OD2 1 ATOM 4837 N N . GLN C 1 63 ? 8.221 30.584 -23.920 1.00 23.33 ? 65 GLN C N 1 ATOM 4838 C CA . GLN C 1 63 ? 8.577 29.170 -23.860 1.00 28.44 ? 65 GLN C CA 1 ATOM 4839 C C . GLN C 1 63 ? 8.642 28.497 -25.233 1.00 22.40 ? 65 GLN C C 1 ATOM 4840 O O . GLN C 1 63 ? 8.763 27.278 -25.322 1.00 23.68 ? 65 GLN C O 1 ATOM 4841 C CB . GLN C 1 63 ? 7.594 28.427 -22.955 1.00 25.23 ? 65 GLN C CB 1 ATOM 4842 C CG . GLN C 1 63 ? 7.566 28.962 -21.522 1.00 28.87 ? 65 GLN C CG 1 ATOM 4843 C CD . GLN C 1 63 ? 6.794 28.058 -20.573 1.00 42.97 ? 65 GLN C CD 1 ATOM 4844 O OE1 . GLN C 1 63 ? 7.366 27.479 -19.644 1.00 48.27 ? 65 GLN C OE1 1 ATOM 4845 N NE2 . GLN C 1 63 ? 5.489 27.922 -20.808 1.00 39.82 ? 65 GLN C NE2 1 ATOM 4846 N N . PHE C 1 64 ? 8.568 29.283 -26.302 1.00 21.91 ? 66 PHE C N 1 ATOM 4847 C CA . PHE C 1 64 ? 8.721 28.735 -27.656 1.00 24.06 ? 66 PHE C CA 1 ATOM 4848 C C . PHE C 1 64 ? 10.111 28.125 -27.846 1.00 22.47 ? 66 PHE C C 1 ATOM 4849 O O . PHE C 1 64 ? 11.095 28.703 -27.400 1.00 23.51 ? 66 PHE C O 1 ATOM 4850 C CB . PHE C 1 64 ? 8.489 29.823 -28.711 1.00 24.11 ? 66 PHE C CB 1 ATOM 4851 C CG . PHE C 1 64 ? 8.432 29.296 -30.110 1.00 20.46 ? 66 PHE C CG 1 ATOM 4852 C CD1 . PHE C 1 64 ? 7.223 28.905 -30.662 1.00 16.40 ? 66 PHE C CD1 1 ATOM 4853 C CD2 . PHE C 1 64 ? 9.587 29.168 -30.866 1.00 19.40 ? 66 PHE C CD2 1 ATOM 4854 C CE1 . PHE C 1 64 ? 7.166 28.395 -31.945 1.00 18.51 ? 66 PHE C CE1 1 ATOM 4855 C CE2 . PHE C 1 64 ? 9.536 28.653 -32.155 1.00 19.93 ? 66 PHE C CE2 1 ATOM 4856 C CZ . PHE C 1 64 ? 8.325 28.266 -32.693 1.00 18.64 ? 66 PHE C CZ 1 ATOM 4857 N N . PRO C 1 65 ? 10.208 26.967 -28.526 1.00 26.55 ? 67 PRO C N 1 ATOM 4858 C CA . PRO C 1 65 ? 9.177 26.126 -29.162 1.00 19.58 ? 67 PRO C CA 1 ATOM 4859 C C . PRO C 1 65 ? 8.476 25.103 -28.246 1.00 23.70 ? 67 PRO C C 1 ATOM 4860 O O . PRO C 1 65 ? 7.521 24.448 -28.693 1.00 21.06 ? 67 PRO C O 1 ATOM 4861 C CB . PRO C 1 65 ? 9.968 25.385 -30.239 1.00 21.48 ? 67 PRO C CB 1 ATOM 4862 C CG . PRO C 1 65 ? 11.314 25.228 -29.639 1.00 24.66 ? 67 PRO C CG 1 ATOM 4863 C CD . PRO C 1 65 ? 11.568 26.509 -28.869 1.00 18.63 ? 67 PRO C CD 1 ATOM 4864 N N . ALA C 1 66 ? 8.931 24.966 -27.000 1.00 16.82 ? 68 ALA C N 1 ATOM 4865 C CA . ALA C 1 66 ? 8.363 23.985 -26.070 1.00 17.46 ? 68 ALA C CA 1 ATOM 4866 C C . ALA C 1 66 ? 6.877 24.220 -25.824 1.00 16.09 ? 68 ALA C C 1 ATOM 4867 O O . ALA C 1 66 ? 6.126 23.284 -25.525 1.00 19.01 ? 68 ALA C O 1 ATOM 4868 C CB . ALA C 1 66 ? 9.126 24.001 -24.740 1.00 20.61 ? 68 ALA C CB 1 ATOM 4869 N N . SER C 1 67 ? 6.450 25.468 -25.957 1.00 16.50 ? 69 SER C N 1 ATOM 4870 C CA . SER C 1 67 ? 5.041 25.808 -25.777 1.00 20.75 ? 69 SER C CA 1 ATOM 4871 C C . SER C 1 67 ? 4.220 25.722 -27.067 1.00 17.51 ? 69 SER C C 1 ATOM 4872 O O . SER C 1 67 ? 3.038 26.061 -27.071 1.00 20.20 ? 69 SER C O 1 ATOM 4873 C CB . SER C 1 67 ? 4.922 27.212 -25.195 1.00 19.62 ? 69 SER C CB 1 ATOM 4874 O OG . SER C 1 67 ? 5.701 28.110 -25.957 1.00 21.80 ? 69 SER C OG 1 ATOM 4875 N N . SER C 1 68 ? 4.838 25.269 -28.154 1.00 17.44 ? 70 SER C N 1 ATOM 4876 C CA . SER C 1 68 ? 4.195 25.341 -29.462 1.00 20.12 ? 70 SER C CA 1 ATOM 4877 C C . SER C 1 68 ? 3.816 23.983 -30.025 1.00 22.26 ? 70 SER C C 1 ATOM 4878 O O . SER C 1 68 ? 4.483 22.984 -29.762 1.00 22.39 ? 70 SER C O 1 ATOM 4879 C CB . SER C 1 68 ? 5.108 26.056 -30.460 1.00 21.03 ? 70 SER C CB 1 ATOM 4880 O OG . SER C 1 68 ? 4.655 25.881 -31.796 1.00 23.82 ? 70 SER C OG 1 ATOM 4881 N N . ASP C 1 69 ? 2.764 23.957 -30.835 1.00 14.24 ? 71 ASP C N 1 ATOM 4882 C CA . ASP C 1 69 ? 2.374 22.730 -31.508 1.00 15.45 ? 71 ASP C CA 1 ATOM 4883 C C . ASP C 1 69 ? 2.856 22.713 -32.943 1.00 17.50 ? 71 ASP C C 1 ATOM 4884 O O . ASP C 1 69 ? 2.560 21.780 -33.687 1.00 22.63 ? 71 ASP C O 1 ATOM 4885 C CB . ASP C 1 69 ? 0.856 22.553 -31.449 1.00 16.37 ? 71 ASP C CB 1 ATOM 4886 C CG . ASP C 1 69 ? 0.392 22.178 -30.075 1.00 20.21 ? 71 ASP C CG 1 ATOM 4887 O OD1 . ASP C 1 69 ? 1.054 21.288 -29.491 1.00 20.62 ? 71 ASP C OD1 1 ATOM 4888 O OD2 . ASP C 1 69 ? -0.580 22.793 -29.559 1.00 18.92 ? 71 ASP C OD2 1 ATOM 4889 N N . VAL C 1 70 ? 3.583 23.756 -33.338 1.00 18.48 ? 72 VAL C N 1 ATOM 4890 C CA . VAL C 1 70 ? 4.202 23.810 -34.664 1.00 16.73 ? 72 VAL C CA 1 ATOM 4891 C C . VAL C 1 70 ? 5.627 24.376 -34.573 1.00 17.58 ? 72 VAL C C 1 ATOM 4892 O O . VAL C 1 70 ? 5.936 25.139 -33.651 1.00 14.44 ? 72 VAL C O 1 ATOM 4893 C CB . VAL C 1 70 ? 3.374 24.669 -35.645 1.00 19.21 ? 72 VAL C CB 1 ATOM 4894 C CG1 . VAL C 1 70 ? 1.957 24.096 -35.808 1.00 16.25 ? 72 VAL C CG1 1 ATOM 4895 C CG2 . VAL C 1 70 ? 3.344 26.130 -35.196 1.00 12.67 ? 72 VAL C CG2 1 ATOM 4896 N N . PRO C 1 71 ? 6.504 23.989 -35.518 1.00 21.81 ? 73 PRO C N 1 ATOM 4897 C CA . PRO C 1 71 ? 7.863 24.540 -35.591 1.00 21.17 ? 73 PRO C CA 1 ATOM 4898 C C . PRO C 1 71 ? 7.878 25.956 -36.162 1.00 25.74 ? 73 PRO C C 1 ATOM 4899 O O . PRO C 1 71 ? 6.892 26.373 -36.781 1.00 28.20 ? 73 PRO C O 1 ATOM 4900 C CB . PRO C 1 71 ? 8.588 23.571 -36.531 1.00 18.67 ? 73 PRO C CB 1 ATOM 4901 C CG . PRO C 1 71 ? 7.504 23.033 -37.409 1.00 25.01 ? 73 PRO C CG 1 ATOM 4902 C CD . PRO C 1 71 ? 6.293 22.919 -36.514 1.00 22.64 ? 73 PRO C CD 1 ATOM 4903 N N . LEU C 1 72 ? 8.990 26.665 -35.974 1.00 21.88 ? 74 LEU C N 1 ATOM 4904 C CA . LEU C 1 72 ? 9.124 28.072 -36.357 1.00 21.05 ? 74 LEU C CA 1 ATOM 4905 C C . LEU C 1 72 ? 8.666 28.380 -37.785 1.00 21.52 ? 74 LEU C C 1 ATOM 4906 O O . LEU C 1 72 ? 8.018 29.395 -38.021 1.00 23.19 ? 74 LEU C O 1 ATOM 4907 C CB . LEU C 1 72 ? 10.579 28.517 -36.182 1.00 20.66 ? 74 LEU C CB 1 ATOM 4908 C CG . LEU C 1 72 ? 10.943 29.957 -36.554 1.00 23.17 ? 74 LEU C CG 1 ATOM 4909 C CD1 . LEU C 1 72 ? 10.192 30.945 -35.682 1.00 17.31 ? 74 LEU C CD1 1 ATOM 4910 C CD2 . LEU C 1 72 ? 12.446 30.184 -36.442 1.00 21.03 ? 74 LEU C CD2 1 ATOM 4911 N N . ALA C 1 73 ? 8.984 27.495 -38.726 1.00 20.82 ? 75 ALA C N 1 ATOM 4912 C CA . ALA C 1 73 ? 8.722 27.757 -40.135 1.00 23.20 ? 75 ALA C CA 1 ATOM 4913 C C . ALA C 1 73 ? 7.223 27.746 -40.432 1.00 26.06 ? 75 ALA C C 1 ATOM 4914 O O . ALA C 1 73 ? 6.772 28.358 -41.397 1.00 26.60 ? 75 ALA C O 1 ATOM 4915 C CB . ALA C 1 73 ? 9.447 26.743 -41.012 1.00 22.48 ? 75 ALA C CB 1 ATOM 4916 N N . VAL C 1 74 ? 6.455 27.056 -39.598 1.00 18.39 ? 76 VAL C N 1 ATOM 4917 C CA . VAL C 1 74 ? 5.009 27.052 -39.744 1.00 15.93 ? 76 VAL C CA 1 ATOM 4918 C C . VAL C 1 74 ? 4.363 28.144 -38.882 1.00 18.77 ? 76 VAL C C 1 ATOM 4919 O O . VAL C 1 74 ? 3.379 28.763 -39.287 1.00 18.70 ? 76 VAL C O 1 ATOM 4920 C CB . VAL C 1 74 ? 4.434 25.677 -39.391 1.00 14.87 ? 76 VAL C CB 1 ATOM 4921 C CG1 . VAL C 1 74 ? 2.916 25.707 -39.374 1.00 14.49 ? 76 VAL C CG1 1 ATOM 4922 C CG2 . VAL C 1 74 ? 4.940 24.649 -40.386 1.00 13.19 ? 76 VAL C CG2 1 ATOM 4923 N N . ALA C 1 75 ? 4.933 28.399 -37.708 1.00 19.26 ? 77 ALA C N 1 ATOM 4924 C CA . ALA C 1 75 ? 4.420 29.443 -36.829 1.00 19.38 ? 77 ALA C CA 1 ATOM 4925 C C . ALA C 1 75 ? 4.428 30.807 -37.522 1.00 21.03 ? 77 ALA C C 1 ATOM 4926 O O . ALA C 1 75 ? 3.581 31.663 -37.228 1.00 18.20 ? 77 ALA C O 1 ATOM 4927 C CB . ALA C 1 75 ? 5.224 29.496 -35.539 1.00 17.88 ? 77 ALA C CB 1 ATOM 4928 N N . LYS C 1 76 ? 5.367 30.986 -38.453 1.00 25.43 ? 78 LYS C N 1 ATOM 4929 C CA . LYS C 1 76 ? 5.495 32.229 -39.229 1.00 27.78 ? 78 LYS C CA 1 ATOM 4930 C C . LYS C 1 76 ? 4.285 32.496 -40.107 1.00 26.96 ? 78 LYS C C 1 ATOM 4931 O O . LYS C 1 76 ? 4.012 33.644 -40.474 1.00 29.06 ? 78 LYS C O 1 ATOM 4932 C CB . LYS C 1 76 ? 6.738 32.195 -40.115 1.00 28.77 ? 78 LYS C CB 1 ATOM 4933 C CG . LYS C 1 76 ? 8.053 32.360 -39.378 1.00 33.92 ? 78 LYS C CG 1 ATOM 4934 C CD . LYS C 1 76 ? 9.197 32.539 -40.364 1.00 32.24 ? 78 LYS C CD 1 ATOM 4935 C CE . LYS C 1 76 ? 10.500 32.775 -39.625 1.00 37.41 ? 78 LYS C CE 1 ATOM 4936 N NZ . LYS C 1 76 ? 11.602 33.129 -40.553 1.00 35.75 ? 78 LYS C NZ 1 ATOM 4937 N N . LYS C 1 77 ? 3.570 31.432 -40.454 1.00 22.35 ? 79 LYS C N 1 ATOM 4938 C CA . LYS C 1 77 ? 2.394 31.552 -41.305 1.00 27.15 ? 79 LYS C CA 1 ATOM 4939 C C . LYS C 1 77 ? 1.121 31.795 -40.482 1.00 25.01 ? 79 LYS C C 1 ATOM 4940 O O . LYS C 1 77 ? 0.059 32.071 -41.039 1.00 25.87 ? 79 LYS C O 1 ATOM 4941 C CB . LYS C 1 77 ? 2.243 30.296 -42.170 1.00 25.17 ? 79 LYS C CB 1 ATOM 4942 C CG . LYS C 1 77 ? 3.424 30.045 -43.113 1.00 25.00 ? 79 LYS C CG 1 ATOM 4943 C CD . LYS C 1 77 ? 3.189 30.727 -44.456 1.00 29.16 ? 79 LYS C CD 1 ATOM 4944 C CE . LYS C 1 77 ? 4.381 30.596 -45.401 1.00 39.42 ? 79 LYS C CE 1 ATOM 4945 N NZ . LYS C 1 77 ? 4.823 29.191 -45.653 1.00 34.04 ? 79 LYS C NZ 1 ATOM 4946 N N . PHE C 1 78 ? 1.229 31.706 -39.158 1.00 16.40 ? 80 PHE C N 1 ATOM 4947 C CA . PHE C 1 78 ? 0.084 31.968 -38.289 1.00 17.64 ? 80 PHE C CA 1 ATOM 4948 C C . PHE C 1 78 ? 0.032 33.420 -37.844 1.00 20.30 ? 80 PHE C C 1 ATOM 4949 O O . PHE C 1 78 ? 1.062 34.048 -37.602 1.00 21.30 ? 80 PHE C O 1 ATOM 4950 C CB . PHE C 1 78 ? 0.110 31.059 -37.047 1.00 15.06 ? 80 PHE C CB 1 ATOM 4951 C CG . PHE C 1 78 ? -0.555 29.720 -37.253 1.00 19.65 ? 80 PHE C CG 1 ATOM 4952 C CD1 . PHE C 1 78 ? 0.138 28.667 -37.825 1.00 14.70 ? 80 PHE C CD1 1 ATOM 4953 C CD2 . PHE C 1 78 ? -1.873 29.520 -36.877 1.00 16.99 ? 80 PHE C CD2 1 ATOM 4954 C CE1 . PHE C 1 78 ? -0.466 27.439 -38.029 1.00 15.45 ? 80 PHE C CE1 1 ATOM 4955 C CE2 . PHE C 1 78 ? -2.483 28.294 -37.082 1.00 17.88 ? 80 PHE C CE2 1 ATOM 4956 C CZ . PHE C 1 78 ? -1.773 27.248 -37.659 1.00 12.16 ? 80 PHE C CZ 1 ATOM 4957 N N . ARG C 1 79 ? -1.178 33.953 -37.744 1.00 24.49 ? 81 ARG C N 1 ATOM 4958 C CA . ARG C 1 79 ? -1.402 35.184 -37.007 1.00 23.00 ? 81 ARG C CA 1 ATOM 4959 C C . ARG C 1 79 ? -1.960 34.757 -35.643 1.00 23.82 ? 81 ARG C C 1 ATOM 4960 O O . ARG C 1 79 ? -3.080 34.259 -35.554 1.00 24.33 ? 81 ARG C O 1 ATOM 4961 C CB . ARG C 1 79 ? -2.365 36.124 -37.742 1.00 25.04 ? 81 ARG C CB 1 ATOM 4962 C CG . ARG C 1 79 ? -2.008 36.430 -39.197 1.00 25.19 ? 81 ARG C CG 1 ATOM 4963 C CD . ARG C 1 79 ? -0.731 37.260 -39.343 1.00 27.01 ? 81 ARG C CD 1 ATOM 4964 N NE . ARG C 1 79 ? 0.371 36.367 -39.671 1.00 40.84 ? 81 ARG C NE 1 ATOM 4965 C CZ . ARG C 1 79 ? 0.953 36.278 -40.862 1.00 28.74 ? 81 ARG C CZ 1 ATOM 4966 N NH1 . ARG C 1 79 ? 0.589 37.072 -41.857 1.00 29.74 ? 81 ARG C NH1 1 ATOM 4967 N NH2 . ARG C 1 79 ? 1.928 35.402 -41.041 1.00 29.09 ? 81 ARG C NH2 1 ATOM 4968 N N . SER C 1 80 ? -1.161 34.920 -34.593 1.00 20.73 ? 82 SER C N 1 ATOM 4969 C CA . SER C 1 80 ? -1.482 34.368 -33.281 1.00 20.45 ? 82 SER C CA 1 ATOM 4970 C C . SER C 1 80 ? -0.952 35.266 -32.182 1.00 23.11 ? 82 SER C C 1 ATOM 4971 O O . SER C 1 80 ? 0.056 35.937 -32.370 1.00 19.66 ? 82 SER C O 1 ATOM 4972 C CB . SER C 1 80 ? -0.873 32.971 -33.107 1.00 16.31 ? 82 SER C CB 1 ATOM 4973 O OG . SER C 1 80 ? -1.302 32.078 -34.105 1.00 18.26 ? 82 SER C OG 1 ATOM 4974 N N . LEU C 1 81 ? -1.622 35.263 -31.034 1.00 17.18 ? 83 LEU C N 1 ATOM 4975 C CA . LEU C 1 81 ? -1.080 35.892 -29.844 1.00 16.46 ? 83 LEU C CA 1 ATOM 4976 C C . LEU C 1 81 ? -1.483 35.051 -28.633 1.00 21.15 ? 83 LEU C C 1 ATOM 4977 O O . LEU C 1 81 ? -2.614 34.561 -28.555 1.00 19.07 ? 83 LEU C O 1 ATOM 4978 C CB . LEU C 1 81 ? -1.571 37.341 -29.713 1.00 18.55 ? 83 LEU C CB 1 ATOM 4979 C CG . LEU C 1 81 ? -1.098 38.190 -28.520 1.00 21.65 ? 83 LEU C CG 1 ATOM 4980 C CD1 . LEU C 1 81 ? 0.429 38.317 -28.464 1.00 17.89 ? 83 LEU C CD1 1 ATOM 4981 C CD2 . LEU C 1 81 ? -1.739 39.575 -28.539 1.00 18.71 ? 83 LEU C CD2 1 ATOM 4982 N N . SER C 1 82 ? -0.544 34.858 -27.709 1.00 20.34 ? 84 SER C N 1 ATOM 4983 C CA . SER C 1 82 ? -0.814 34.142 -26.458 1.00 23.72 ? 84 SER C CA 1 ATOM 4984 C C . SER C 1 82 ? -2.008 34.725 -25.711 1.00 16.54 ? 84 SER C C 1 ATOM 4985 O O . SER C 1 82 ? -2.052 35.930 -25.461 1.00 22.42 ? 84 SER C O 1 ATOM 4986 C CB . SER C 1 82 ? 0.422 34.166 -25.548 1.00 21.19 ? 84 SER C CB 1 ATOM 4987 O OG . SER C 1 82 ? 1.467 33.381 -26.096 1.00 22.90 ? 84 SER C OG 1 ATOM 4988 N N . GLY C 1 83 ? -2.967 33.869 -25.358 1.00 20.73 ? 85 GLY C N 1 ATOM 4989 C CA . GLY C 1 83 ? -4.143 34.290 -24.613 1.00 17.19 ? 85 GLY C CA 1 ATOM 4990 C C . GLY C 1 83 ? -5.318 34.731 -25.479 1.00 23.67 ? 85 GLY C C 1 ATOM 4991 O O . GLY C 1 83 ? -6.419 34.962 -24.970 1.00 24.98 ? 85 GLY C O 1 ATOM 4992 N N . ALA C 1 84 ? -5.085 34.832 -26.787 1.00 12.62 ? 86 ALA C N 1 ATOM 4993 C CA . ALA C 1 84 ? -6.069 35.355 -27.734 1.00 13.79 ? 86 ALA C CA 1 ATOM 4994 C C . ALA C 1 84 ? -7.016 34.289 -28.265 1.00 14.51 ? 86 ALA C C 1 ATOM 4995 O O . ALA C 1 84 ? -6.727 33.101 -28.190 1.00 13.12 ? 86 ALA C O 1 ATOM 4996 C CB . ALA C 1 84 ? -5.359 36.022 -28.904 1.00 14.21 ? 86 ALA C CB 1 ATOM 4997 N N . SER C 1 85 ? -8.150 34.739 -28.795 1.00 18.30 ? 87 SER C N 1 ATOM 4998 C CA . SER C 1 85 ? -9.039 33.917 -29.617 1.00 17.16 ? 87 SER C CA 1 ATOM 4999 C C . SER C 1 85 ? -9.912 34.864 -30.434 1.00 19.16 ? 87 SER C C 1 ATOM 5000 O O . SER C 1 85 ? -10.052 36.034 -30.078 1.00 16.72 ? 87 SER C O 1 ATOM 5001 C CB . SER C 1 85 ? -9.901 32.985 -28.768 1.00 17.53 ? 87 SER C CB 1 ATOM 5002 O OG . SER C 1 85 ? -11.063 33.661 -28.313 1.00 20.69 ? 87 SER C OG 1 ATOM 5003 N N . LEU C 1 86 ? -10.483 34.365 -31.528 1.00 19.86 ? 88 LEU C N 1 ATOM 5004 C CA . LEU C 1 86 ? -11.369 35.170 -32.360 1.00 17.67 ? 88 LEU C CA 1 ATOM 5005 C C . LEU C 1 86 ? -12.545 35.727 -31.563 1.00 19.41 ? 88 LEU C C 1 ATOM 5006 O O . LEU C 1 86 ? -12.895 36.896 -31.699 1.00 21.13 ? 88 LEU C O 1 ATOM 5007 C CB . LEU C 1 86 ? -11.886 34.353 -33.545 1.00 18.78 ? 88 LEU C CB 1 ATOM 5008 C CG . LEU C 1 86 ? -11.116 34.480 -34.864 1.00 27.10 ? 88 LEU C CG 1 ATOM 5009 C CD1 . LEU C 1 86 ? -9.738 33.825 -34.789 1.00 23.07 ? 88 LEU C CD1 1 ATOM 5010 C CD2 . LEU C 1 86 ? -11.934 33.908 -36.020 1.00 29.82 ? 88 LEU C CD2 1 ATOM 5011 N N . MET C 1 87 ? -13.141 34.892 -30.717 1.00 19.19 ? 89 MET C N 1 ATOM 5012 C CA . MET C 1 87 ? -14.320 35.294 -29.953 1.00 19.44 ? 89 MET C CA 1 ATOM 5013 C C . MET C 1 87 ? -13.979 36.330 -28.883 1.00 18.11 ? 89 MET C C 1 ATOM 5014 O O . MET C 1 87 ? -14.781 37.216 -28.588 1.00 18.21 ? 89 MET C O 1 ATOM 5015 C CB . MET C 1 87 ? -14.982 34.076 -29.309 1.00 17.77 ? 89 MET C CB 1 ATOM 5016 C CG . MET C 1 87 ? -16.350 34.363 -28.728 1.00 20.55 ? 89 MET C CG 1 ATOM 5017 S SD . MET C 1 87 ? -17.064 32.922 -27.910 1.00 29.35 ? 89 MET C SD 1 ATOM 5018 C CE . MET C 1 87 ? -18.511 33.640 -27.133 1.00 24.77 ? 89 MET C CE 1 ATOM 5019 N N . LEU C 1 88 ? -12.795 36.208 -28.299 1.00 15.69 ? 90 LEU C N 1 ATOM 5020 C CA . LEU C 1 88 ? -12.322 37.204 -27.344 1.00 16.71 ? 90 LEU C CA 1 ATOM 5021 C C . LEU C 1 88 ? -12.208 38.571 -28.005 1.00 17.09 ? 90 LEU C C 1 ATOM 5022 O O . LEU C 1 88 ? -12.635 39.577 -27.435 1.00 18.13 ? 90 LEU C O 1 ATOM 5023 C CB . LEU C 1 88 ? -10.978 36.794 -26.749 1.00 15.80 ? 90 LEU C CB 1 ATOM 5024 C CG . LEU C 1 88 ? -11.031 35.692 -25.687 1.00 20.29 ? 90 LEU C CG 1 ATOM 5025 C CD1 . LEU C 1 88 ? -9.627 35.388 -25.181 1.00 14.33 ? 90 LEU C CD1 1 ATOM 5026 C CD2 . LEU C 1 88 ? -11.975 36.077 -24.527 1.00 16.41 ? 90 LEU C CD2 1 ATOM 5027 N N . SER C 1 89 ? -11.659 38.612 -29.216 1.00 17.37 ? 91 SER C N 1 ATOM 5028 C CA . SER C 1 89 ? -11.550 39.891 -29.931 1.00 22.42 ? 91 SER C CA 1 ATOM 5029 C C . SER C 1 89 ? -12.912 40.421 -30.393 1.00 20.70 ? 91 SER C C 1 ATOM 5030 O O . SER C 1 89 ? -13.104 41.634 -30.493 1.00 19.27 ? 91 SER C O 1 ATOM 5031 C CB . SER C 1 89 ? -10.600 39.762 -31.123 1.00 19.50 ? 91 SER C CB 1 ATOM 5032 O OG . SER C 1 89 ? -9.281 39.472 -30.678 1.00 20.21 ? 91 SER C OG 1 ATOM 5033 N N . ALA C 1 90 ? -13.858 39.518 -30.651 1.00 21.32 ? 92 ALA C N 1 ATOM 5034 C CA . ALA C 1 90 ? -15.208 39.911 -31.075 1.00 21.43 ? 92 ALA C CA 1 ATOM 5035 C C . ALA C 1 90 ? -15.935 40.734 -30.016 1.00 21.95 ? 92 ALA C C 1 ATOM 5036 O O . ALA C 1 90 ? -16.659 41.673 -30.344 1.00 23.75 ? 92 ALA C O 1 ATOM 5037 C CB . ALA C 1 90 ? -16.035 38.686 -31.419 1.00 19.57 ? 92 ALA C CB 1 ATOM 5038 N N . PHE C 1 91 ? -15.743 40.367 -28.753 1.00 14.14 ? 93 PHE C N 1 ATOM 5039 C CA . PHE C 1 91 ? -16.462 40.983 -27.643 1.00 18.45 ? 93 PHE C CA 1 ATOM 5040 C C . PHE C 1 91 ? -15.576 41.895 -26.803 1.00 19.31 ? 93 PHE C C 1 ATOM 5041 O O . PHE C 1 91 ? -16.055 42.867 -26.219 1.00 18.87 ? 93 PHE C O 1 ATOM 5042 C CB . PHE C 1 91 ? -17.076 39.905 -26.742 1.00 19.28 ? 93 PHE C CB 1 ATOM 5043 C CG . PHE C 1 91 ? -18.259 39.199 -27.350 1.00 18.94 ? 93 PHE C CG 1 ATOM 5044 C CD1 . PHE C 1 91 ? -18.076 38.118 -28.202 1.00 17.05 ? 93 PHE C CD1 1 ATOM 5045 C CD2 . PHE C 1 91 ? -19.552 39.603 -27.053 1.00 16.09 ? 93 PHE C CD2 1 ATOM 5046 C CE1 . PHE C 1 91 ? -19.162 37.464 -28.760 1.00 16.94 ? 93 PHE C CE1 1 ATOM 5047 C CE2 . PHE C 1 91 ? -20.646 38.953 -27.604 1.00 18.49 ? 93 PHE C CE2 1 ATOM 5048 C CZ . PHE C 1 91 ? -20.453 37.883 -28.463 1.00 15.94 ? 93 PHE C CZ 1 ATOM 5049 N N . GLY C 1 92 ? -14.287 41.573 -26.747 1.00 19.23 ? 94 GLY C N 1 ATOM 5050 C CA . GLY C 1 92 ? -13.344 42.290 -25.907 1.00 20.28 ? 94 GLY C CA 1 ATOM 5051 C C . GLY C 1 92 ? -13.752 42.331 -24.441 1.00 22.93 ? 94 GLY C C 1 ATOM 5052 O O . GLY C 1 92 ? -13.925 43.415 -23.888 1.00 26.11 ? 94 GLY C O 1 ATOM 5053 N N . PRO C 1 93 ? -13.912 41.154 -23.800 1.00 24.13 ? 95 PRO C N 1 ATOM 5054 C CA . PRO C 1 93 ? -14.312 41.151 -22.386 1.00 21.44 ? 95 PRO C CA 1 ATOM 5055 C C . PRO C 1 93 ? -13.234 41.797 -21.526 1.00 23.10 ? 95 PRO C C 1 ATOM 5056 O O . PRO C 1 93 ? -12.074 41.810 -21.930 1.00 26.05 ? 95 PRO C O 1 ATOM 5057 C CB . PRO C 1 93 ? -14.469 39.656 -22.057 1.00 20.29 ? 95 PRO C CB 1 ATOM 5058 C CG . PRO C 1 93 ? -14.534 38.954 -23.385 1.00 21.06 ? 95 PRO C CG 1 ATOM 5059 C CD . PRO C 1 93 ? -13.672 39.786 -24.297 1.00 22.55 ? 95 PRO C CD 1 ATOM 5060 N N . PRO C 1 94 ? -13.607 42.350 -20.366 1.00 24.97 ? 96 PRO C N 1 ATOM 5061 C CA . PRO C 1 94 ? -12.611 43.028 -19.519 1.00 24.93 ? 96 PRO C CA 1 ATOM 5062 C C . PRO C 1 94 ? -11.414 42.148 -19.145 1.00 24.43 ? 96 PRO C C 1 ATOM 5063 O O . PRO C 1 94 ? -11.595 41.012 -18.704 1.00 22.90 ? 96 PRO C O 1 ATOM 5064 C CB . PRO C 1 94 ? -13.412 43.408 -18.268 1.00 25.48 ? 96 PRO C CB 1 ATOM 5065 C CG . PRO C 1 94 ? -14.840 43.492 -18.742 1.00 25.58 ? 96 PRO C CG 1 ATOM 5066 C CD . PRO C 1 94 ? -14.974 42.448 -19.820 1.00 21.15 ? 96 PRO C CD 1 ATOM 5067 N N . GLY C 1 95 ? -10.208 42.677 -19.351 1.00 28.74 ? 97 GLY C N 1 ATOM 5068 C CA . GLY C 1 95 ? -8.979 42.039 -18.906 1.00 23.85 ? 97 GLY C CA 1 ATOM 5069 C C . GLY C 1 95 ? -8.459 40.881 -19.742 1.00 25.52 ? 97 GLY C C 1 ATOM 5070 O O . GLY C 1 95 ? -7.477 40.254 -19.373 1.00 31.41 ? 97 GLY C O 1 ATOM 5071 N N . LYS C 1 96 ? -9.111 40.591 -20.861 1.00 21.81 ? 98 LYS C N 1 ATOM 5072 C CA . LYS C 1 96 ? -8.694 39.498 -21.730 1.00 24.31 ? 98 LYS C CA 1 ATOM 5073 C C . LYS C 1 96 ? -7.854 40.040 -22.878 1.00 23.00 ? 98 LYS C C 1 ATOM 5074 O O . LYS C 1 96 ? -8.010 41.193 -23.257 1.00 21.95 ? 98 LYS C O 1 ATOM 5075 C CB . LYS C 1 96 ? -9.914 38.744 -22.262 1.00 20.98 ? 98 LYS C CB 1 ATOM 5076 C CG . LYS C 1 96 ? -10.954 38.420 -21.182 1.00 25.05 ? 98 LYS C CG 1 ATOM 5077 C CD . LYS C 1 96 ? -10.422 37.430 -20.150 1.00 19.94 ? 98 LYS C CD 1 ATOM 5078 C CE . LYS C 1 96 ? -9.877 36.187 -20.837 1.00 21.29 ? 98 LYS C CE 1 ATOM 5079 N NZ . LYS C 1 96 ? -9.496 35.130 -19.862 1.00 26.98 ? 98 LYS C NZ 1 ATOM 5080 N N . VAL C 1 97 ? -6.961 39.235 -23.447 1.00 24.49 ? 99 VAL C N 1 ATOM 5081 C CA . VAL C 1 97 ? -6.149 39.800 -24.508 1.00 26.23 ? 99 VAL C CA 1 ATOM 5082 C C . VAL C 1 97 ? -7.020 39.979 -25.751 1.00 24.41 ? 99 VAL C C 1 ATOM 5083 O O . VAL C 1 97 ? -7.984 39.249 -25.993 1.00 23.20 ? 99 VAL C O 1 ATOM 5084 C CB . VAL C 1 97 ? -4.857 38.974 -24.805 1.00 27.16 ? 99 VAL C CB 1 ATOM 5085 C CG1 . VAL C 1 97 ? -4.577 37.959 -23.713 1.00 19.67 ? 99 VAL C CG1 1 ATOM 5086 C CG2 . VAL C 1 97 ? -4.862 38.360 -26.198 1.00 22.31 ? 99 VAL C CG2 1 ATOM 5087 N N . ASP C 1 98 ? -6.681 41.008 -26.505 1.00 24.30 ? 100 ASP C N 1 ATOM 5088 C CA . ASP C 1 98 ? -7.539 41.536 -27.535 1.00 25.78 ? 100 ASP C CA 1 ATOM 5089 C C . ASP C 1 98 ? -6.692 41.677 -28.776 1.00 25.71 ? 100 ASP C C 1 ATOM 5090 O O . ASP C 1 98 ? -6.155 42.751 -29.050 1.00 26.72 ? 100 ASP C O 1 ATOM 5091 C CB . ASP C 1 98 ? -8.132 42.878 -27.090 1.00 20.92 ? 100 ASP C CB 1 ATOM 5092 C CG . ASP C 1 98 ? -9.058 43.489 -28.120 1.00 28.33 ? 100 ASP C CG 1 ATOM 5093 O OD1 . ASP C 1 98 ? -9.379 42.828 -29.134 1.00 27.11 ? 100 ASP C OD1 1 ATOM 5094 O OD2 . ASP C 1 98 ? -9.464 44.653 -27.912 1.00 32.88 ? 100 ASP C OD2 1 ATOM 5095 N N . TYR C 1 99 ? -6.563 40.577 -29.511 1.00 19.22 ? 101 TYR C N 1 ATOM 5096 C CA . TYR C 1 99 ? -5.675 40.521 -30.660 1.00 19.26 ? 101 TYR C CA 1 ATOM 5097 C C . TYR C 1 99 ? -6.394 40.855 -31.965 1.00 22.21 ? 101 TYR C C 1 ATOM 5098 O O . TYR C 1 99 ? -7.442 40.279 -32.273 1.00 19.84 ? 101 TYR C O 1 ATOM 5099 C CB . TYR C 1 99 ? -5.033 39.141 -30.756 1.00 15.65 ? 101 TYR C CB 1 ATOM 5100 C CG . TYR C 1 99 ? -4.053 39.014 -31.902 1.00 18.26 ? 101 TYR C CG 1 ATOM 5101 C CD1 . TYR C 1 99 ? -2.938 39.853 -31.993 1.00 15.15 ? 101 TYR C CD1 1 ATOM 5102 C CD2 . TYR C 1 99 ? -4.236 38.056 -32.888 1.00 15.66 ? 101 TYR C CD2 1 ATOM 5103 C CE1 . TYR C 1 99 ? -2.036 39.738 -33.046 1.00 13.99 ? 101 TYR C CE1 1 ATOM 5104 C CE2 . TYR C 1 99 ? -3.341 37.926 -33.938 1.00 19.19 ? 101 TYR C CE2 1 ATOM 5105 C CZ . TYR C 1 99 ? -2.245 38.768 -34.015 1.00 20.09 ? 101 TYR C CZ 1 ATOM 5106 O OH . TYR C 1 99 ? -1.380 38.631 -35.072 1.00 16.23 ? 101 TYR C OH 1 ATOM 5107 N N . LEU C 1 100 ? -5.824 41.779 -32.736 1.00 26.82 ? 102 LEU C N 1 ATOM 5108 C CA . LEU C 1 100 ? -6.420 42.159 -34.016 1.00 26.48 ? 102 LEU C CA 1 ATOM 5109 C C . LEU C 1 100 ? -6.039 41.139 -35.087 1.00 20.77 ? 102 LEU C C 1 ATOM 5110 O O . LEU C 1 100 ? -5.042 41.307 -35.787 1.00 24.65 ? 102 LEU C O 1 ATOM 5111 C CB . LEU C 1 100 ? -5.983 43.579 -34.423 1.00 27.74 ? 102 LEU C CB 1 ATOM 5112 C CG . LEU C 1 100 ? -6.939 44.360 -35.339 1.00 31.44 ? 102 LEU C CG 1 ATOM 5113 C CD1 . LEU C 1 100 ? -6.592 45.848 -35.364 1.00 32.01 ? 102 LEU C CD1 1 ATOM 5114 C CD2 . LEU C 1 100 ? -6.963 43.804 -36.766 1.00 28.14 ? 102 LEU C CD2 1 ATOM 5115 N N . TYR C 1 101 ? -6.825 40.073 -35.204 1.00 20.83 ? 103 TYR C N 1 ATOM 5116 C CA . TYR C 1 101 ? -6.593 39.063 -36.234 1.00 15.43 ? 103 TYR C CA 1 ATOM 5117 C C . TYR C 1 101 ? -6.830 39.649 -37.616 1.00 20.08 ? 103 TYR C C 1 ATOM 5118 O O . TYR C 1 101 ? -7.883 40.248 -37.879 1.00 16.18 ? 103 TYR C O 1 ATOM 5119 C CB . TYR C 1 101 ? -7.515 37.856 -36.057 1.00 17.05 ? 103 TYR C CB 1 ATOM 5120 C CG . TYR C 1 101 ? -7.257 36.977 -34.854 1.00 20.27 ? 103 TYR C CG 1 ATOM 5121 C CD1 . TYR C 1 101 ? -6.351 35.920 -34.923 1.00 18.39 ? 103 TYR C CD1 1 ATOM 5122 C CD2 . TYR C 1 101 ? -7.947 37.176 -33.665 1.00 15.35 ? 103 TYR C CD2 1 ATOM 5123 C CE1 . TYR C 1 101 ? -6.124 35.102 -33.831 1.00 18.14 ? 103 TYR C CE1 1 ATOM 5124 C CE2 . TYR C 1 101 ? -7.729 36.364 -32.571 1.00 18.37 ? 103 TYR C CE2 1 ATOM 5125 C CZ . TYR C 1 101 ? -6.820 35.325 -32.661 1.00 20.10 ? 103 TYR C CZ 1 ATOM 5126 O OH . TYR C 1 101 ? -6.601 34.509 -31.577 1.00 21.36 ? 103 TYR C OH 1 ATOM 5127 N N . GLN C 1 102 ? -5.863 39.468 -38.505 1.00 21.55 ? 104 GLN C N 1 ATOM 5128 C CA . GLN C 1 102 ? -6.061 39.838 -39.899 1.00 22.98 ? 104 GLN C CA 1 ATOM 5129 C C . GLN C 1 102 ? -5.053 39.111 -40.784 1.00 24.13 ? 104 GLN C C 1 ATOM 5130 O O . GLN C 1 102 ? -3.932 38.812 -40.365 1.00 23.65 ? 104 GLN C O 1 ATOM 5131 C CB . GLN C 1 102 ? -5.978 41.366 -40.083 1.00 18.41 ? 104 GLN C CB 1 ATOM 5132 C CG . GLN C 1 102 ? -4.668 42.010 -39.672 1.00 25.04 ? 104 GLN C CG 1 ATOM 5133 C CD . GLN C 1 102 ? -4.777 43.535 -39.463 1.00 39.49 ? 104 GLN C CD 1 ATOM 5134 O OE1 . GLN C 1 102 ? -5.759 44.184 -39.868 1.00 36.62 ? 104 GLN C OE1 1 ATOM 5135 N NE2 . GLN C 1 102 ? -3.753 44.108 -38.827 1.00 32.68 ? 104 GLN C NE2 1 ATOM 5136 N N . GLY C 1 103 ? -5.476 38.793 -42.003 1.00 29.12 ? 105 GLY C N 1 ATOM 5137 C CA . GLY C 1 103 ? -4.572 38.235 -42.990 1.00 26.32 ? 105 GLY C CA 1 ATOM 5138 C C . GLY C 1 103 ? -5.298 37.577 -44.142 1.00 25.40 ? 105 GLY C C 1 ATOM 5139 O O . GLY C 1 103 ? -6.526 37.472 -44.132 1.00 24.63 ? 105 GLY C O 1 ATOM 5140 N N . CYS C 1 104 ? -4.529 37.128 -45.127 1.00 21.79 ? 106 CYS C N 1 ATOM 5141 C CA . CYS C 1 104 ? -5.070 36.586 -46.370 1.00 22.85 ? 106 CYS C CA 1 ATOM 5142 C C . CYS C 1 104 ? -4.475 35.222 -46.677 1.00 21.44 ? 106 CYS C C 1 ATOM 5143 O O . CYS C 1 104 ? -3.309 34.972 -46.385 1.00 23.88 ? 106 CYS C O 1 ATOM 5144 C CB . CYS C 1 104 ? -4.788 37.538 -47.551 1.00 24.24 ? 106 CYS C CB 1 ATOM 5145 S SG . CYS C 1 104 ? -5.708 39.095 -47.513 1.00 34.24 ? 106 CYS C SG 1 ATOM 5146 N N . GLY C 1 105 ? -5.270 34.350 -47.286 1.00 22.05 ? 107 GLY C N 1 ATOM 5147 C CA . GLY C 1 105 ? -4.777 33.064 -47.747 1.00 20.03 ? 107 GLY C CA 1 ATOM 5148 C C . GLY C 1 105 ? -5.935 32.239 -48.258 1.00 20.74 ? 107 GLY C C 1 ATOM 5149 O O . GLY C 1 105 ? -6.983 32.221 -47.624 1.00 25.50 ? 107 GLY C O 1 ATOM 5150 N N . LYS C 1 106 ? -5.755 31.570 -49.397 1.00 26.56 ? 108 LYS C N 1 ATOM 5151 C CA . LYS C 1 106 ? -6.821 30.765 -50.006 1.00 25.24 ? 108 LYS C CA 1 ATOM 5152 C C . LYS C 1 106 ? -7.163 29.571 -49.129 1.00 26.07 ? 108 LYS C C 1 ATOM 5153 O O . LYS C 1 106 ? -8.324 29.179 -49.019 1.00 29.51 ? 108 LYS C O 1 ATOM 5154 C CB . LYS C 1 106 ? -6.420 30.292 -51.409 1.00 28.05 ? 108 LYS C CB 1 ATOM 5155 C CG . LYS C 1 106 ? -7.302 30.858 -52.524 1.00 37.26 ? 108 LYS C CG 1 ATOM 5156 C CD . LYS C 1 106 ? -7.493 29.840 -53.658 1.00 43.97 ? 108 LYS C CD 1 ATOM 5157 C CE . LYS C 1 106 ? -8.777 30.105 -54.454 1.00 43.40 ? 108 LYS C CE 1 ATOM 5158 N NZ . LYS C 1 106 ? -9.064 29.016 -55.423 1.00 43.07 ? 108 LYS C NZ 1 ATOM 5159 N N . GLU C 1 107 ? -6.143 28.999 -48.495 1.00 23.74 ? 109 GLU C N 1 ATOM 5160 C CA . GLU C 1 107 ? -6.359 27.978 -47.481 1.00 22.15 ? 109 GLU C CA 1 ATOM 5161 C C . GLU C 1 107 ? -6.211 28.581 -46.087 1.00 22.11 ? 109 GLU C C 1 ATOM 5162 O O . GLU C 1 107 ? -5.255 29.305 -45.812 1.00 24.84 ? 109 GLU C O 1 ATOM 5163 C CB . GLU C 1 107 ? -5.386 26.826 -47.665 1.00 21.61 ? 109 GLU C CB 1 ATOM 5164 C CG . GLU C 1 107 ? -5.324 26.292 -49.084 1.00 24.49 ? 109 GLU C CG 1 ATOM 5165 C CD . GLU C 1 107 ? -4.195 25.301 -49.248 1.00 26.66 ? 109 GLU C CD 1 ATOM 5166 O OE1 . GLU C 1 107 ? -3.198 25.627 -49.936 1.00 28.89 ? 109 GLU C OE1 1 ATOM 5167 O OE2 . GLU C 1 107 ? -4.298 24.204 -48.658 1.00 21.88 ? 109 GLU C OE2 1 ATOM 5168 N N . LYS C 1 108 ? -7.159 28.293 -45.206 1.00 19.85 ? 110 LYS C N 1 ATOM 5169 C CA . LYS C 1 108 ? -7.130 28.866 -43.864 1.00 19.75 ? 110 LYS C CA 1 ATOM 5170 C C . LYS C 1 108 ? -7.071 27.779 -42.800 1.00 20.05 ? 110 LYS C C 1 ATOM 5171 O O . LYS C 1 108 ? -7.718 26.741 -42.926 1.00 17.79 ? 110 LYS C O 1 ATOM 5172 C CB . LYS C 1 108 ? -8.351 29.757 -43.640 1.00 17.59 ? 110 LYS C CB 1 ATOM 5173 C CG . LYS C 1 108 ? -8.509 30.863 -44.678 1.00 18.47 ? 110 LYS C CG 1 ATOM 5174 C CD . LYS C 1 108 ? -9.947 31.364 -44.744 1.00 21.16 ? 110 LYS C CD 1 ATOM 5175 C CE . LYS C 1 108 ? -10.071 32.541 -45.694 1.00 23.82 ? 110 LYS C CE 1 ATOM 5176 N NZ . LYS C 1 108 ? -9.549 32.210 -47.057 1.00 20.46 ? 110 LYS C NZ 1 ATOM 5177 N N . VAL C 1 109 ? -6.276 28.014 -41.760 1.00 18.74 ? 111 VAL C N 1 ATOM 5178 C CA . VAL C 1 109 ? -6.223 27.099 -40.634 1.00 13.20 ? 111 VAL C CA 1 ATOM 5179 C C . VAL C 1 109 ? -6.597 27.830 -39.345 1.00 21.73 ? 111 VAL C C 1 ATOM 5180 O O . VAL C 1 109 ? -5.899 28.746 -38.906 1.00 20.85 ? 111 VAL C O 1 ATOM 5181 C CB . VAL C 1 109 ? -4.839 26.455 -40.478 1.00 14.93 ? 111 VAL C CB 1 ATOM 5182 C CG1 . VAL C 1 109 ? -4.875 25.419 -39.377 1.00 12.43 ? 111 VAL C CG1 1 ATOM 5183 C CG2 . VAL C 1 109 ? -4.404 25.804 -41.783 1.00 16.40 ? 111 VAL C CG2 1 ATOM 5184 N N . PHE C 1 110 ? -7.712 27.433 -38.744 1.00 19.07 ? 112 PHE C N 1 ATOM 5185 C CA . PHE C 1 110 ? -8.127 28.010 -37.474 1.00 20.44 ? 112 PHE C CA 1 ATOM 5186 C C . PHE C 1 110 ? -7.734 27.099 -36.301 1.00 22.08 ? 112 PHE C C 1 ATOM 5187 O O . PHE C 1 110 ? -8.262 25.994 -36.151 1.00 21.54 ? 112 PHE C O 1 ATOM 5188 C CB . PHE C 1 110 ? -9.638 28.260 -37.481 1.00 19.67 ? 112 PHE C CB 1 ATOM 5189 C CG . PHE C 1 110 ? -10.082 29.324 -38.463 1.00 20.03 ? 112 PHE C CG 1 ATOM 5190 C CD1 . PHE C 1 110 ? -10.199 29.044 -39.824 1.00 20.40 ? 112 PHE C CD1 1 ATOM 5191 C CD2 . PHE C 1 110 ? -10.396 30.600 -38.022 1.00 18.59 ? 112 PHE C CD2 1 ATOM 5192 C CE1 . PHE C 1 110 ? -10.619 30.029 -40.724 1.00 19.56 ? 112 PHE C CE1 1 ATOM 5193 C CE2 . PHE C 1 110 ? -10.809 31.593 -38.916 1.00 17.07 ? 112 PHE C CE2 1 ATOM 5194 C CZ . PHE C 1 110 ? -10.929 31.303 -40.264 1.00 19.56 ? 112 PHE C CZ 1 ATOM 5195 N N . TYR C 1 111 ? -6.794 27.550 -35.477 1.00 17.16 ? 113 TYR C N 1 ATOM 5196 C CA . TYR C 1 111 ? -6.383 26.764 -34.316 1.00 14.61 ? 113 TYR C CA 1 ATOM 5197 C C . TYR C 1 111 ? -6.413 27.657 -33.088 1.00 13.70 ? 113 TYR C C 1 ATOM 5198 O O . TYR C 1 111 ? -5.372 28.047 -32.556 1.00 13.59 ? 113 TYR C O 1 ATOM 5199 C CB . TYR C 1 111 ? -4.990 26.148 -34.523 1.00 13.57 ? 113 TYR C CB 1 ATOM 5200 C CG . TYR C 1 111 ? -4.495 25.291 -33.370 1.00 15.25 ? 113 TYR C CG 1 ATOM 5201 C CD1 . TYR C 1 111 ? -5.381 24.739 -32.450 1.00 13.10 ? 113 TYR C CD1 1 ATOM 5202 C CD2 . TYR C 1 111 ? -3.133 25.051 -33.193 1.00 14.21 ? 113 TYR C CD2 1 ATOM 5203 C CE1 . TYR C 1 111 ? -4.935 23.970 -31.400 1.00 12.02 ? 113 TYR C CE1 1 ATOM 5204 C CE2 . TYR C 1 111 ? -2.671 24.278 -32.146 1.00 11.00 ? 113 TYR C CE2 1 ATOM 5205 C CZ . TYR C 1 111 ? -3.580 23.739 -31.254 1.00 17.78 ? 113 TYR C CZ 1 ATOM 5206 O OH . TYR C 1 111 ? -3.142 22.971 -30.203 1.00 18.38 ? 113 TYR C OH 1 ATOM 5207 N N . GLU C 1 112 ? -7.618 27.982 -32.649 1.00 15.93 ? 114 GLU C N 1 ATOM 5208 C CA . GLU C 1 112 ? -7.786 28.796 -31.469 1.00 17.78 ? 114 GLU C CA 1 ATOM 5209 C C . GLU C 1 112 ? -9.237 28.698 -31.008 1.00 18.52 ? 114 GLU C C 1 ATOM 5210 O O . GLU C 1 112 ? -10.073 28.100 -31.687 1.00 16.00 ? 114 GLU C O 1 ATOM 5211 C CB . GLU C 1 112 ? -7.361 30.244 -31.765 1.00 17.49 ? 114 GLU C CB 1 ATOM 5212 C CG . GLU C 1 112 ? -8.389 31.141 -32.423 1.00 19.76 ? 114 GLU C CG 1 ATOM 5213 C CD . GLU C 1 112 ? -9.211 30.488 -33.513 1.00 27.33 ? 114 GLU C CD 1 ATOM 5214 O OE1 . GLU C 1 112 ? -8.655 29.695 -34.309 1.00 42.48 ? 114 GLU C OE1 1 ATOM 5215 O OE2 . GLU C 1 112 ? -10.437 30.714 -33.520 1.00 19.75 ? 114 GLU C OE2 1 ATOM 5216 N N . GLY C 1 113 ? -9.536 29.272 -29.851 1.00 19.95 ? 115 GLY C N 1 ATOM 5217 C CA . GLY C 1 113 ? -10.890 29.235 -29.334 1.00 19.78 ? 115 GLY C CA 1 ATOM 5218 C C . GLY C 1 113 ? -10.909 28.888 -27.862 1.00 19.37 ? 115 GLY C C 1 ATOM 5219 O O . GLY C 1 113 ? -11.784 29.332 -27.118 1.00 19.18 ? 115 GLY C O 1 ATOM 5220 N N . VAL C 1 114 ? -9.913 28.113 -27.446 1.00 19.23 ? 116 VAL C N 1 ATOM 5221 C CA . VAL C 1 114 ? -9.828 27.606 -26.086 1.00 15.94 ? 116 VAL C CA 1 ATOM 5222 C C . VAL C 1 114 ? -9.723 28.722 -25.031 1.00 23.20 ? 116 VAL C C 1 ATOM 5223 O O . VAL C 1 114 ? -10.189 28.546 -23.900 1.00 25.79 ? 116 VAL C O 1 ATOM 5224 C CB . VAL C 1 114 ? -8.631 26.629 -25.932 1.00 17.90 ? 116 VAL C CB 1 ATOM 5225 C CG1 . VAL C 1 114 ? -7.289 27.368 -26.018 1.00 16.91 ? 116 VAL C CG1 1 ATOM 5226 C CG2 . VAL C 1 114 ? -8.740 25.850 -24.634 1.00 19.47 ? 116 VAL C CG2 1 ATOM 5227 N N . ASN C 1 115 ? -9.155 29.872 -25.393 1.00 19.14 ? 117 ASN C N 1 ATOM 5228 C CA . ASN C 1 115 ? -8.976 30.956 -24.421 1.00 18.62 ? 117 ASN C CA 1 ATOM 5229 C C . ASN C 1 115 ? -10.287 31.617 -23.983 1.00 25.77 ? 117 ASN C C 1 ATOM 5230 O O . ASN C 1 115 ? -10.290 32.428 -23.049 1.00 24.40 ? 117 ASN C O 1 ATOM 5231 C CB . ASN C 1 115 ? -8.013 32.005 -24.971 1.00 21.87 ? 117 ASN C CB 1 ATOM 5232 C CG . ASN C 1 115 ? -6.560 31.569 -24.859 1.00 20.98 ? 117 ASN C CG 1 ATOM 5233 O OD1 . ASN C 1 115 ? -6.123 31.125 -23.802 1.00 23.06 ? 117 ASN C OD1 1 ATOM 5234 N ND2 . ASN C 1 115 ? -5.815 31.673 -25.952 1.00 19.06 ? 117 ASN C ND2 1 ATOM 5235 N N . TRP C 1 116 ? -11.396 31.276 -24.651 1.00 24.88 ? 118 TRP C N 1 ATOM 5236 C CA . TRP C 1 116 ? -12.726 31.545 -24.097 1.00 21.32 ? 118 TRP C CA 1 ATOM 5237 C C . TRP C 1 116 ? -13.512 30.236 -24.035 1.00 23.84 ? 118 TRP C C 1 ATOM 5238 O O . TRP C 1 116 ? -14.300 29.911 -24.927 1.00 24.89 ? 118 TRP C O 1 ATOM 5239 C CB . TRP C 1 116 ? -13.494 32.599 -24.902 1.00 20.22 ? 118 TRP C CB 1 ATOM 5240 C CG . TRP C 1 116 ? -14.717 33.138 -24.167 1.00 22.75 ? 118 TRP C CG 1 ATOM 5241 C CD1 . TRP C 1 116 ? -15.298 32.614 -23.045 1.00 25.50 ? 118 TRP C CD1 1 ATOM 5242 C CD2 . TRP C 1 116 ? -15.474 34.318 -24.486 1.00 23.49 ? 118 TRP C CD2 1 ATOM 5243 N NE1 . TRP C 1 116 ? -16.371 33.386 -22.655 1.00 25.82 ? 118 TRP C NE1 1 ATOM 5244 C CE2 . TRP C 1 116 ? -16.498 34.435 -23.524 1.00 23.91 ? 118 TRP C CE2 1 ATOM 5245 C CE3 . TRP C 1 116 ? -15.378 35.286 -25.490 1.00 25.02 ? 118 TRP C CE3 1 ATOM 5246 C CZ2 . TRP C 1 116 ? -17.422 35.479 -23.539 1.00 25.21 ? 118 TRP C CZ2 1 ATOM 5247 C CZ3 . TRP C 1 116 ? -16.300 36.317 -25.505 1.00 23.94 ? 118 TRP C CZ3 1 ATOM 5248 C CH2 . TRP C 1 116 ? -17.308 36.405 -24.536 1.00 25.69 ? 118 TRP C CH2 1 ATOM 5249 N N . SER C 1 117 ? -13.264 29.488 -22.966 1.00 23.80 ? 119 SER C N 1 ATOM 5250 C CA . SER C 1 117 ? -13.953 28.244 -22.668 1.00 20.01 ? 119 SER C CA 1 ATOM 5251 C C . SER C 1 117 ? -14.607 28.429 -21.296 1.00 23.87 ? 119 SER C C 1 ATOM 5252 O O . SER C 1 117 ? -14.416 29.475 -20.680 1.00 23.59 ? 119 SER C O 1 ATOM 5253 C CB . SER C 1 117 ? -12.962 27.078 -22.694 1.00 19.93 ? 119 SER C CB 1 ATOM 5254 O OG . SER C 1 117 ? -12.480 26.866 -24.009 1.00 22.71 ? 119 SER C OG 1 ATOM 5255 N N . PRO C 1 118 ? -15.381 27.438 -20.806 1.00 25.41 ? 120 PRO C N 1 ATOM 5256 C CA . PRO C 1 118 ? -15.972 27.673 -19.477 1.00 23.97 ? 120 PRO C CA 1 ATOM 5257 C C . PRO C 1 118 ? -14.927 27.955 -18.385 1.00 22.81 ? 120 PRO C C 1 ATOM 5258 O O . PRO C 1 118 ? -15.246 28.609 -17.392 1.00 24.21 ? 120 PRO C O 1 ATOM 5259 C CB . PRO C 1 118 ? -16.724 26.366 -19.195 1.00 22.58 ? 120 PRO C CB 1 ATOM 5260 C CG . PRO C 1 118 ? -17.052 25.833 -20.552 1.00 24.07 ? 120 PRO C CG 1 ATOM 5261 C CD . PRO C 1 118 ? -15.862 26.178 -21.405 1.00 17.55 ? 120 PRO C CD 1 ATOM 5262 N N . GLU C 1 119 ? -13.694 27.496 -18.590 1.00 23.19 ? 121 GLU C N 1 ATOM 5263 C CA . GLU C 1 119 ? -12.600 27.770 -17.655 1.00 25.27 ? 121 GLU C CA 1 ATOM 5264 C C . GLU C 1 119 ? -12.400 29.267 -17.377 1.00 28.34 ? 121 GLU C C 1 ATOM 5265 O O . GLU C 1 119 ? -12.049 29.658 -16.259 1.00 28.19 ? 121 GLU C O 1 ATOM 5266 C CB . GLU C 1 119 ? -11.294 27.179 -18.192 1.00 23.96 ? 121 GLU C CB 1 ATOM 5267 C CG . GLU C 1 119 ? -10.078 27.410 -17.305 1.00 24.99 ? 121 GLU C CG 1 ATOM 5268 C CD . GLU C 1 119 ? -10.121 26.600 -16.015 1.00 31.01 ? 121 GLU C CD 1 ATOM 5269 O OE1 . GLU C 1 119 ? -10.978 25.691 -15.897 1.00 22.85 ? 121 GLU C OE1 1 ATOM 5270 O OE2 . GLU C 1 119 ? -9.289 26.872 -15.121 1.00 31.21 ? 121 GLU C OE2 1 ATOM 5271 N N . ALA C 1 120 ? -12.625 30.096 -18.395 1.00 23.84 ? 122 ALA C N 1 ATOM 5272 C CA . ALA C 1 120 ? -12.370 31.534 -18.297 1.00 23.53 ? 122 ALA C CA 1 ATOM 5273 C C . ALA C 1 120 ? -13.225 32.211 -17.233 1.00 24.28 ? 122 ALA C C 1 ATOM 5274 O O . ALA C 1 120 ? -12.853 33.257 -16.715 1.00 25.46 ? 122 ALA C O 1 ATOM 5275 C CB . ALA C 1 120 ? -12.604 32.203 -19.643 1.00 23.30 ? 122 ALA C CB 1 ATOM 5276 N N . GLY C 1 121 ? -14.380 31.624 -16.932 1.00 31.53 ? 123 GLY C N 1 ATOM 5277 C CA . GLY C 1 121 ? -15.280 32.173 -15.935 1.00 30.60 ? 123 GLY C CA 1 ATOM 5278 C C . GLY C 1 121 ? -15.781 33.575 -16.244 1.00 33.94 ? 123 GLY C C 1 ATOM 5279 O O . GLY C 1 121 ? -16.043 34.362 -15.338 1.00 37.35 ? 123 GLY C O 1 ATOM 5280 N N . ILE C 1 122 ? -15.912 33.897 -17.523 1.00 21.99 ? 124 ILE C N 1 ATOM 5281 C CA . ILE C 1 122 ? -16.453 35.186 -17.912 1.00 21.57 ? 124 ILE C CA 1 ATOM 5282 C C . ILE C 1 122 ? -17.966 35.166 -17.736 1.00 23.24 ? 124 ILE C C 1 ATOM 5283 O O . ILE C 1 122 ? -18.659 34.347 -18.336 1.00 18.72 ? 124 ILE C O 1 ATOM 5284 C CB . ILE C 1 122 ? -16.085 35.542 -19.373 1.00 20.02 ? 124 ILE C CB 1 ATOM 5285 C CG1 . ILE C 1 122 ? -14.567 35.705 -19.510 1.00 20.33 ? 124 ILE C CG1 1 ATOM 5286 C CG2 . ILE C 1 122 ? -16.799 36.820 -19.816 1.00 18.96 ? 124 ILE C CG2 1 ATOM 5287 C CD1 . ILE C 1 122 ? -14.065 35.743 -20.947 1.00 16.05 ? 124 ILE C CD1 1 ATOM 5288 N N . ASP C 1 123 ? -18.482 36.063 -16.904 1.00 28.88 ? 125 ASP C N 1 ATOM 5289 C CA . ASP C 1 123 ? -19.919 36.100 -16.662 1.00 30.76 ? 125 ASP C CA 1 ATOM 5290 C C . ASP C 1 123 ? -20.600 37.112 -17.589 1.00 30.52 ? 125 ASP C C 1 ATOM 5291 O O . ASP C 1 123 ? -21.125 36.733 -18.640 1.00 28.01 ? 125 ASP C O 1 ATOM 5292 C CB . ASP C 1 123 ? -20.208 36.426 -15.196 1.00 36.27 ? 125 ASP C CB 1 ATOM 5293 C CG . ASP C 1 123 ? -21.672 36.219 -14.822 1.00 38.00 ? 125 ASP C CG 1 ATOM 5294 O OD1 . ASP C 1 123 ? -22.519 36.035 -15.732 1.00 33.43 ? 125 ASP C OD1 1 ATOM 5295 O OD2 . ASP C 1 123 ? -21.976 36.249 -13.606 1.00 36.30 ? 125 ASP C OD2 1 ATOM 5296 N N . CYS C 1 124 ? -20.593 38.386 -17.189 1.00 29.83 ? 126 CYS C N 1 ATOM 5297 C CA . CYS C 1 124 ? -21.139 39.479 -18.001 1.00 30.97 ? 126 CYS C CA 1 ATOM 5298 C C . CYS C 1 124 ? -22.569 39.222 -18.491 1.00 31.66 ? 126 CYS C C 1 ATOM 5299 O O . CYS C 1 124 ? -22.889 39.531 -19.641 1.00 30.34 ? 126 CYS C O 1 ATOM 5300 C CB . CYS C 1 124 ? -20.232 39.750 -19.207 1.00 27.92 ? 126 CYS C CB 1 ATOM 5301 S SG . CYS C 1 124 ? -18.533 40.255 -18.802 1.00 32.28 ? 126 CYS C SG 1 ATOM 5302 N N . PHE C 1 125 ? -23.405 38.649 -17.620 1.00 27.30 ? 127 PHE C N 1 ATOM 5303 C CA . PHE C 1 125 ? -24.826 38.387 -17.895 1.00 29.73 ? 127 PHE C CA 1 ATOM 5304 C C . PHE C 1 125 ? -25.031 37.287 -18.935 1.00 31.84 ? 127 PHE C C 1 ATOM 5305 O O . PHE C 1 125 ? -26.150 37.087 -19.405 1.00 34.70 ? 127 PHE C O 1 ATOM 5306 C CB . PHE C 1 125 ? -25.557 39.661 -18.370 1.00 33.87 ? 127 PHE C CB 1 ATOM 5307 C CG . PHE C 1 125 ? -25.736 40.706 -17.303 1.00 29.93 ? 127 PHE C CG 1 ATOM 5308 C CD1 . PHE C 1 125 ? -26.110 40.350 -16.016 1.00 33.96 ? 127 PHE C CD1 1 ATOM 5309 C CD2 . PHE C 1 125 ? -25.528 42.048 -17.590 1.00 31.35 ? 127 PHE C CD2 1 ATOM 5310 C CE1 . PHE C 1 125 ? -26.278 41.318 -15.027 1.00 34.56 ? 127 PHE C CE1 1 ATOM 5311 C CE2 . PHE C 1 125 ? -25.689 43.024 -16.609 1.00 34.46 ? 127 PHE C CE2 1 ATOM 5312 C CZ . PHE C 1 125 ? -26.068 42.658 -15.327 1.00 34.04 ? 127 PHE C CZ 1 ATOM 5313 N N . GLY C 1 126 ? -23.962 36.582 -19.296 1.00 31.93 ? 128 GLY C N 1 ATOM 5314 C CA . GLY C 1 126 ? -24.030 35.581 -20.345 1.00 27.50 ? 128 GLY C CA 1 ATOM 5315 C C . GLY C 1 126 ? -25.070 34.501 -20.106 1.00 30.98 ? 128 GLY C C 1 ATOM 5316 O O . GLY C 1 126 ? -25.030 33.788 -19.098 1.00 30.63 ? 128 GLY C O 1 ATOM 5317 N N . SER C 1 127 ? -26.010 34.381 -21.036 1.00 27.54 ? 129 SER C N 1 ATOM 5318 C CA . SER C 1 127 ? -27.037 33.352 -20.948 1.00 30.16 ? 129 SER C CA 1 ATOM 5319 C C . SER C 1 127 ? -26.399 31.969 -21.089 1.00 32.06 ? 129 SER C C 1 ATOM 5320 O O . SER C 1 127 ? -26.585 31.094 -20.238 1.00 24.87 ? 129 SER C O 1 ATOM 5321 C CB . SER C 1 127 ? -28.110 33.571 -22.021 1.00 24.72 ? 129 SER C CB 1 ATOM 5322 O OG . SER C 1 127 ? -28.921 32.423 -22.173 1.00 29.51 ? 129 SER C OG 1 ATOM 5323 N N . ASN C 1 128 ? -25.636 31.796 -22.168 1.00 30.08 ? 130 ASN C N 1 ATOM 5324 C CA . ASN C 1 128 ? -24.913 30.561 -22.448 1.00 26.66 ? 130 ASN C CA 1 ATOM 5325 C C . ASN C 1 128 ? -23.785 30.838 -23.454 1.00 27.63 ? 130 ASN C C 1 ATOM 5326 O O . ASN C 1 128 ? -24.001 30.815 -24.673 1.00 23.39 ? 130 ASN C O 1 ATOM 5327 C CB . ASN C 1 128 ? -25.878 29.487 -22.967 1.00 22.45 ? 130 ASN C CB 1 ATOM 5328 C CG . ASN C 1 128 ? -25.194 28.155 -23.236 1.00 25.73 ? 130 ASN C CG 1 ATOM 5329 O OD1 . ASN C 1 128 ? -23.985 28.009 -23.050 1.00 24.47 ? 130 ASN C OD1 1 ATOM 5330 N ND2 . ASN C 1 128 ? -25.975 27.167 -23.672 1.00 28.11 ? 130 ASN C ND2 1 ATOM 5331 N N . TRP C 1 129 ? -22.586 31.101 -22.936 1.00 23.03 ? 131 TRP C N 1 ATOM 5332 C CA . TRP C 1 129 ? -21.473 31.528 -23.776 1.00 23.50 ? 131 TRP C CA 1 ATOM 5333 C C . TRP C 1 129 ? -21.018 30.416 -24.702 1.00 23.82 ? 131 TRP C C 1 ATOM 5334 O O . TRP C 1 129 ? -20.521 30.682 -25.795 1.00 19.92 ? 131 TRP C O 1 ATOM 5335 C CB . TRP C 1 129 ? -20.295 32.018 -22.924 1.00 22.22 ? 131 TRP C CB 1 ATOM 5336 C CG . TRP C 1 129 ? -20.509 33.373 -22.316 1.00 24.08 ? 131 TRP C CG 1 ATOM 5337 C CD1 . TRP C 1 129 ? -20.482 33.686 -20.988 1.00 23.77 ? 131 TRP C CD1 1 ATOM 5338 C CD2 . TRP C 1 129 ? -20.786 34.601 -23.011 1.00 26.97 ? 131 TRP C CD2 1 ATOM 5339 N NE1 . TRP C 1 129 ? -20.719 35.027 -20.811 1.00 26.78 ? 131 TRP C NE1 1 ATOM 5340 C CE2 . TRP C 1 129 ? -20.912 35.613 -22.037 1.00 27.19 ? 131 TRP C CE2 1 ATOM 5341 C CE3 . TRP C 1 129 ? -20.933 34.943 -24.364 1.00 25.87 ? 131 TRP C CE3 1 ATOM 5342 C CZ2 . TRP C 1 129 ? -21.186 36.943 -22.366 1.00 26.20 ? 131 TRP C CZ2 1 ATOM 5343 C CZ3 . TRP C 1 129 ? -21.211 36.260 -24.690 1.00 23.60 ? 131 TRP C CZ3 1 ATOM 5344 C CH2 . TRP C 1 129 ? -21.334 37.245 -23.693 1.00 28.60 ? 131 TRP C CH2 1 ATOM 5345 N N . THR C 1 130 ? -21.185 29.173 -24.260 1.00 23.24 ? 132 THR C N 1 ATOM 5346 C CA . THR C 1 130 ? -20.887 28.025 -25.104 1.00 21.89 ? 132 THR C CA 1 ATOM 5347 C C . THR C 1 130 ? -21.790 28.057 -26.336 1.00 22.87 ? 132 THR C C 1 ATOM 5348 O O . THR C 1 130 ? -21.356 27.757 -27.450 1.00 21.82 ? 132 THR C O 1 ATOM 5349 C CB . THR C 1 130 ? -21.076 26.688 -24.344 1.00 19.86 ? 132 THR C CB 1 ATOM 5350 O OG1 . THR C 1 130 ? -20.210 26.658 -23.203 1.00 21.31 ? 132 THR C OG1 1 ATOM 5351 C CG2 . THR C 1 130 ? -20.742 25.514 -25.233 1.00 18.38 ? 132 THR C CG2 1 ATOM 5352 N N . GLN C 1 131 ? -23.049 28.440 -26.132 1.00 27.40 ? 133 GLN C N 1 ATOM 5353 C CA . GLN C 1 131 ? -23.981 28.576 -27.239 1.00 24.79 ? 133 GLN C CA 1 ATOM 5354 C C . GLN C 1 131 ? -23.584 29.741 -28.139 1.00 26.72 ? 133 GLN C C 1 ATOM 5355 O O . GLN C 1 131 ? -23.588 29.604 -29.362 1.00 24.74 ? 133 GLN C O 1 ATOM 5356 C CB . GLN C 1 131 ? -25.417 28.770 -26.738 1.00 27.17 ? 133 GLN C CB 1 ATOM 5357 C CG . GLN C 1 131 ? -26.366 29.232 -27.833 1.00 27.66 ? 133 GLN C CG 1 ATOM 5358 C CD . GLN C 1 131 ? -26.680 28.144 -28.863 1.00 36.17 ? 133 GLN C CD 1 ATOM 5359 O OE1 . GLN C 1 131 ? -26.171 27.026 -28.790 1.00 41.01 ? 133 GLN C OE1 1 ATOM 5360 N NE2 . GLN C 1 131 ? -27.501 28.488 -29.847 1.00 52.48 ? 133 GLN C NE2 1 ATOM 5361 N N . THR C 1 132 ? -23.255 30.880 -27.528 1.00 16.42 ? 134 THR C N 1 ATOM 5362 C CA . THR C 1 132 ? -22.757 32.047 -28.259 1.00 18.53 ? 134 THR C CA 1 ATOM 5363 C C . THR C 1 132 ? -21.535 31.662 -29.103 1.00 19.17 ? 134 THR C C 1 ATOM 5364 O O . THR C 1 132 ? -21.468 31.962 -30.295 1.00 20.59 ? 134 THR C O 1 ATOM 5365 C CB . THR C 1 132 ? -22.371 33.205 -27.300 1.00 23.15 ? 134 THR C CB 1 ATOM 5366 O OG1 . THR C 1 132 ? -23.434 33.449 -26.364 1.00 21.14 ? 134 THR C OG1 1 ATOM 5367 C CG2 . THR C 1 132 ? -22.083 34.479 -28.082 1.00 16.51 ? 134 THR C CG2 1 ATOM 5368 N N . LYS C 1 133 ? -20.588 30.970 -28.473 1.00 22.04 ? 135 LYS C N 1 ATOM 5369 C CA . LYS C 1 133 ? -19.373 30.485 -29.126 1.00 19.38 ? 135 LYS C CA 1 ATOM 5370 C C . LYS C 1 133 ? -19.662 29.669 -30.389 1.00 21.09 ? 135 LYS C C 1 ATOM 5371 O O . LYS C 1 133 ? -19.136 29.971 -31.466 1.00 15.57 ? 135 LYS C O 1 ATOM 5372 C CB . LYS C 1 133 ? -18.565 29.652 -28.135 1.00 18.20 ? 135 LYS C CB 1 ATOM 5373 C CG . LYS C 1 133 ? -17.186 29.209 -28.588 1.00 15.56 ? 135 LYS C CG 1 ATOM 5374 C CD . LYS C 1 133 ? -16.453 28.549 -27.417 1.00 13.91 ? 135 LYS C CD 1 ATOM 5375 C CE . LYS C 1 133 ? -15.040 28.131 -27.773 1.00 18.19 ? 135 LYS C CE 1 ATOM 5376 N NZ . LYS C 1 133 ? -14.265 27.764 -26.559 1.00 16.03 ? 135 LYS C NZ 1 ATOM 5377 N N . LYS C 1 134 ? -20.499 28.641 -30.248 1.00 20.44 ? 136 LYS C N 1 ATOM 5378 C CA . LYS C 1 134 ? -20.892 27.789 -31.373 1.00 17.67 ? 136 LYS C CA 1 ATOM 5379 C C . LYS C 1 134 ? -21.510 28.607 -32.513 1.00 21.44 ? 136 LYS C C 1 ATOM 5380 O O . LYS C 1 134 ? -21.171 28.408 -33.677 1.00 17.78 ? 136 LYS C O 1 ATOM 5381 C CB . LYS C 1 134 ? -21.874 26.703 -30.900 1.00 20.90 ? 136 LYS C CB 1 ATOM 5382 C CG . LYS C 1 134 ? -22.188 25.613 -31.940 1.00 22.26 ? 136 LYS C CG 1 ATOM 5383 C CD . LYS C 1 134 ? -23.187 24.591 -31.400 1.00 19.33 ? 136 LYS C CD 1 ATOM 5384 C CE . LYS C 1 134 ? -23.598 23.582 -32.458 1.00 22.55 ? 136 LYS C CE 1 ATOM 5385 N NZ . LYS C 1 134 ? -24.451 22.503 -31.889 1.00 24.23 ? 136 LYS C NZ 1 ATOM 5386 N N . ASP C 1 135 ? -22.402 29.539 -32.173 1.00 24.37 ? 137 ASP C N 1 ATOM 5387 C CA . ASP C 1 135 ? -23.022 30.399 -33.177 1.00 24.72 ? 137 ASP C CA 1 ATOM 5388 C C . ASP C 1 135 ? -22.011 31.318 -33.855 1.00 26.14 ? 137 ASP C C 1 ATOM 5389 O O . ASP C 1 135 ? -22.025 31.478 -35.087 1.00 23.28 ? 137 ASP C O 1 ATOM 5390 C CB . ASP C 1 135 ? -24.144 31.231 -32.553 1.00 27.53 ? 137 ASP C CB 1 ATOM 5391 C CG . ASP C 1 135 ? -25.299 30.372 -32.065 1.00 35.10 ? 137 ASP C CG 1 ATOM 5392 O OD1 . ASP C 1 135 ? -25.285 29.158 -32.363 1.00 38.49 ? 137 ASP C OD1 1 ATOM 5393 O OD2 . ASP C 1 135 ? -26.211 30.897 -31.387 1.00 36.30 ? 137 ASP C OD2 1 ATOM 5394 N N . PHE C 1 136 ? -21.137 31.918 -33.049 1.00 21.55 ? 138 PHE C N 1 ATOM 5395 C CA . PHE C 1 136 ? -20.127 32.841 -33.559 1.00 17.83 ? 138 PHE C CA 1 ATOM 5396 C C . PHE C 1 136 ? -19.204 32.151 -34.549 1.00 17.12 ? 138 PHE C C 1 ATOM 5397 O O . PHE C 1 136 ? -19.011 32.637 -35.662 1.00 19.62 ? 138 PHE C O 1 ATOM 5398 C CB . PHE C 1 136 ? -19.312 33.444 -32.409 1.00 16.57 ? 138 PHE C CB 1 ATOM 5399 C CG . PHE C 1 136 ? -18.095 34.216 -32.859 1.00 16.68 ? 138 PHE C CG 1 ATOM 5400 C CD1 . PHE C 1 136 ? -18.232 35.452 -33.470 1.00 19.69 ? 138 PHE C CD1 1 ATOM 5401 C CD2 . PHE C 1 136 ? -16.817 33.712 -32.653 1.00 16.56 ? 138 PHE C CD2 1 ATOM 5402 C CE1 . PHE C 1 136 ? -17.122 36.175 -33.882 1.00 20.01 ? 138 PHE C CE1 1 ATOM 5403 C CE2 . PHE C 1 136 ? -15.703 34.420 -33.061 1.00 17.32 ? 138 PHE C CE2 1 ATOM 5404 C CZ . PHE C 1 136 ? -15.855 35.664 -33.677 1.00 17.67 ? 138 PHE C CZ 1 ATOM 5405 N N . TYR C 1 137 ? -18.638 31.014 -34.159 1.00 18.68 ? 139 TYR C N 1 ATOM 5406 C CA . TYR C 1 137 ? -17.681 30.343 -35.037 1.00 20.78 ? 139 TYR C CA 1 ATOM 5407 C C . TYR C 1 137 ? -18.371 29.758 -36.259 1.00 22.38 ? 139 TYR C C 1 ATOM 5408 O O . TYR C 1 137 ? -17.741 29.596 -37.309 1.00 22.07 ? 139 TYR C O 1 ATOM 5409 C CB . TYR C 1 137 ? -16.899 29.268 -34.279 1.00 19.17 ? 139 TYR C CB 1 ATOM 5410 C CG . TYR C 1 137 ? -15.803 29.868 -33.420 1.00 20.57 ? 139 TYR C CG 1 ATOM 5411 C CD1 . TYR C 1 137 ? -14.589 30.268 -33.980 1.00 20.82 ? 139 TYR C CD1 1 ATOM 5412 C CD2 . TYR C 1 137 ? -15.993 30.070 -32.058 1.00 18.28 ? 139 TYR C CD2 1 ATOM 5413 C CE1 . TYR C 1 137 ? -13.584 30.834 -33.191 1.00 17.36 ? 139 TYR C CE1 1 ATOM 5414 C CE2 . TYR C 1 137 ? -15.006 30.631 -31.266 1.00 16.90 ? 139 TYR C CE2 1 ATOM 5415 C CZ . TYR C 1 137 ? -13.803 31.009 -31.835 1.00 18.52 ? 139 TYR C CZ 1 ATOM 5416 O OH . TYR C 1 137 ? -12.834 31.569 -31.036 1.00 14.79 ? 139 TYR C OH 1 ATOM 5417 N N . SER C 1 138 ? -19.664 29.464 -36.133 1.00 20.18 ? 140 SER C N 1 ATOM 5418 C CA . SER C 1 138 ? -20.429 28.982 -37.276 1.00 22.77 ? 140 SER C CA 1 ATOM 5419 C C . SER C 1 138 ? -20.482 30.039 -38.371 1.00 18.90 ? 140 SER C C 1 ATOM 5420 O O . SER C 1 138 ? -20.245 29.737 -39.534 1.00 18.24 ? 140 SER C O 1 ATOM 5421 C CB . SER C 1 138 ? -21.851 28.582 -36.872 1.00 21.00 ? 140 SER C CB 1 ATOM 5422 O OG . SER C 1 138 ? -21.864 27.366 -36.149 1.00 28.22 ? 140 SER C OG 1 ATOM 5423 N N . ARG C 1 139 ? -20.792 31.278 -38.002 1.00 24.55 ? 141 ARG C N 1 ATOM 5424 C CA . ARG C 1 139 ? -20.889 32.340 -39.000 1.00 24.54 ? 141 ARG C CA 1 ATOM 5425 C C . ARG C 1 139 ? -19.504 32.675 -39.568 1.00 21.69 ? 141 ARG C C 1 ATOM 5426 O O . ARG C 1 139 ? -19.360 32.895 -40.778 1.00 23.98 ? 141 ARG C O 1 ATOM 5427 C CB . ARG C 1 139 ? -21.550 33.594 -38.417 1.00 23.10 ? 141 ARG C CB 1 ATOM 5428 C CG . ARG C 1 139 ? -22.900 33.364 -37.738 1.00 27.02 ? 141 ARG C CG 1 ATOM 5429 C CD . ARG C 1 139 ? -23.780 32.372 -38.483 1.00 33.81 ? 141 ARG C CD 1 ATOM 5430 N NE . ARG C 1 139 ? -25.026 32.087 -37.767 1.00 42.73 ? 141 ARG C NE 1 ATOM 5431 C CZ . ARG C 1 139 ? -25.118 31.317 -36.681 1.00 43.52 ? 141 ARG C CZ 1 ATOM 5432 N NH1 . ARG C 1 139 ? -26.288 31.114 -36.089 1.00 48.89 ? 141 ARG C NH1 1 ATOM 5433 N NH2 . ARG C 1 139 ? -24.039 30.751 -36.173 1.00 44.57 ? 141 ARG C NH2 1 ATOM 5434 N N . ILE C 1 140 ? -18.493 32.696 -38.697 1.00 16.48 ? 142 ILE C N 1 ATOM 5435 C CA . ILE C 1 140 ? -17.105 32.923 -39.112 1.00 14.60 ? 142 ILE C CA 1 ATOM 5436 C C . ILE C 1 140 ? -16.655 31.925 -40.174 1.00 15.35 ? 142 ILE C C 1 ATOM 5437 O O . ILE C 1 140 ? -16.139 32.321 -41.221 1.00 14.54 ? 142 ILE C O 1 ATOM 5438 C CB . ILE C 1 140 ? -16.120 32.830 -37.912 1.00 17.12 ? 142 ILE C CB 1 ATOM 5439 C CG1 . ILE C 1 140 ? -16.333 33.989 -36.929 1.00 18.44 ? 142 ILE C CG1 1 ATOM 5440 C CG2 . ILE C 1 140 ? -14.681 32.788 -38.402 1.00 11.84 ? 142 ILE C CG2 1 ATOM 5441 C CD1 . ILE C 1 140 ? -15.861 35.337 -37.429 1.00 11.85 ? 142 ILE C CD1 1 ATOM 5442 N N . TYR C 1 141 ? -16.850 30.634 -39.897 1.00 13.57 ? 143 TYR C N 1 ATOM 5443 C CA . TYR C 1 141 ? -16.408 29.575 -40.802 1.00 15.93 ? 143 TYR C CA 1 ATOM 5444 C C . TYR C 1 141 ? -17.131 29.656 -42.141 1.00 15.43 ? 143 TYR C C 1 ATOM 5445 O O . TYR C 1 141 ? -16.544 29.401 -43.184 1.00 18.09 ? 143 TYR C O 1 ATOM 5446 C CB . TYR C 1 141 ? -16.634 28.187 -40.190 1.00 16.77 ? 143 TYR C CB 1 ATOM 5447 C CG . TYR C 1 141 ? -15.904 27.927 -38.887 1.00 16.18 ? 143 TYR C CG 1 ATOM 5448 C CD1 . TYR C 1 141 ? -14.832 28.717 -38.494 1.00 17.49 ? 143 TYR C CD1 1 ATOM 5449 C CD2 . TYR C 1 141 ? -16.304 26.898 -38.040 1.00 17.16 ? 143 TYR C CD2 1 ATOM 5450 C CE1 . TYR C 1 141 ? -14.175 28.489 -37.302 1.00 16.83 ? 143 TYR C CE1 1 ATOM 5451 C CE2 . TYR C 1 141 ? -15.649 26.659 -36.842 1.00 16.77 ? 143 TYR C CE2 1 ATOM 5452 C CZ . TYR C 1 141 ? -14.587 27.456 -36.482 1.00 16.43 ? 143 TYR C CZ 1 ATOM 5453 O OH . TYR C 1 141 ? -13.933 27.236 -35.301 1.00 15.95 ? 143 TYR C OH 1 ATOM 5454 N N . GLU C 1 142 ? -18.409 30.011 -42.100 1.00 25.23 ? 144 GLU C N 1 ATOM 5455 C CA . GLU C 1 142 ? -19.226 30.108 -43.306 1.00 29.65 ? 144 GLU C CA 1 ATOM 5456 C C . GLU C 1 142 ? -18.801 31.281 -44.195 1.00 27.67 ? 144 GLU C C 1 ATOM 5457 O O . GLU C 1 142 ? -18.784 31.165 -45.416 1.00 29.34 ? 144 GLU C O 1 ATOM 5458 C CB . GLU C 1 142 ? -20.707 30.244 -42.930 1.00 29.65 ? 144 GLU C CB 1 ATOM 5459 C CG . GLU C 1 142 ? -21.607 30.615 -44.090 1.00 35.47 ? 144 GLU C CG 1 ATOM 5460 C CD . GLU C 1 142 ? -23.039 30.847 -43.658 1.00 46.27 ? 144 GLU C CD 1 ATOM 5461 O OE1 . GLU C 1 142 ? -23.364 30.521 -42.494 1.00 49.43 ? 144 GLU C OE1 1 ATOM 5462 O OE2 . GLU C 1 142 ? -23.839 31.350 -44.478 1.00 47.86 ? 144 GLU C OE2 1 ATOM 5463 N N . ALA C 1 143 ? -18.461 32.408 -43.576 1.00 18.42 ? 145 ALA C N 1 ATOM 5464 C CA . ALA C 1 143 ? -18.000 33.572 -44.328 1.00 23.36 ? 145 ALA C CA 1 ATOM 5465 C C . ALA C 1 143 ? -16.605 33.331 -44.880 1.00 20.46 ? 145 ALA C C 1 ATOM 5466 O O . ALA C 1 143 ? -16.326 33.649 -46.036 1.00 21.65 ? 145 ALA C O 1 ATOM 5467 C CB . ALA C 1 143 ? -18.017 34.834 -43.452 1.00 18.35 ? 145 ALA C CB 1 ATOM 5468 N N . ALA C 1 144 ? -15.742 32.760 -44.040 1.00 21.62 ? 146 ALA C N 1 ATOM 5469 C CA . ALA C 1 144 ? -14.338 32.516 -44.383 1.00 23.45 ? 146 ALA C CA 1 ATOM 5470 C C . ALA C 1 144 ? -14.175 31.594 -45.597 1.00 21.17 ? 146 ALA C C 1 ATOM 5471 O O . ALA C 1 144 ? -13.223 31.735 -46.377 1.00 20.82 ? 146 ALA C O 1 ATOM 5472 C CB . ALA C 1 144 ? -13.596 31.931 -43.171 1.00 16.93 ? 146 ALA C CB 1 ATOM 5473 N N . ARG C 1 145 ? -15.104 30.651 -45.731 1.00 23.53 ? 147 ARG C N 1 ATOM 5474 C CA . ARG C 1 145 ? -15.110 29.653 -46.807 1.00 27.17 ? 147 ARG C CA 1 ATOM 5475 C C . ARG C 1 145 ? -15.096 30.293 -48.208 1.00 27.04 ? 147 ARG C C 1 ATOM 5476 O O . ARG C 1 145 ? -14.404 29.818 -49.119 1.00 22.92 ? 147 ARG C O 1 ATOM 5477 C CB . ARG C 1 145 ? -16.334 28.739 -46.630 1.00 29.35 ? 147 ARG C CB 1 ATOM 5478 C CG . ARG C 1 145 ? -16.922 28.153 -47.899 1.00 37.71 ? 147 ARG C CG 1 ATOM 5479 C CD . ARG C 1 145 ? -16.100 26.981 -48.367 1.00 39.81 ? 147 ARG C CD 1 ATOM 5480 N NE . ARG C 1 145 ? -16.602 26.374 -49.600 1.00 36.28 ? 147 ARG C NE 1 ATOM 5481 C CZ . ARG C 1 145 ? -15.874 26.250 -50.706 1.00 37.65 ? 147 ARG C CZ 1 ATOM 5482 N NH1 . ARG C 1 145 ? -16.381 25.668 -51.782 1.00 44.25 ? 147 ARG C NH1 1 ATOM 5483 N NH2 . ARG C 1 145 ? -14.631 26.717 -50.738 1.00 38.98 ? 147 ARG C NH2 1 ATOM 5484 N N . SER C 1 146 ? -15.845 31.383 -48.356 1.00 22.63 ? 148 SER C N 1 ATOM 5485 C CA . SER C 1 146 ? -15.972 32.088 -49.632 1.00 26.02 ? 148 SER C CA 1 ATOM 5486 C C . SER C 1 146 ? -15.017 33.277 -49.728 1.00 26.51 ? 148 SER C C 1 ATOM 5487 O O . SER C 1 146 ? -15.027 34.020 -50.716 1.00 25.25 ? 148 SER C O 1 ATOM 5488 C CB . SER C 1 146 ? -17.409 32.586 -49.828 1.00 25.38 ? 148 SER C CB 1 ATOM 5489 O OG . SER C 1 146 ? -18.363 31.576 -49.558 1.00 27.16 ? 148 SER C OG 1 ATOM 5490 N N . SER C 1 147 ? -14.209 33.467 -48.692 1.00 20.27 ? 149 SER C N 1 ATOM 5491 C CA . SER C 1 147 ? -13.389 34.664 -48.580 1.00 20.15 ? 149 SER C CA 1 ATOM 5492 C C . SER C 1 147 ? -11.913 34.352 -48.750 1.00 22.00 ? 149 SER C C 1 ATOM 5493 O O . SER C 1 147 ? -11.458 33.268 -48.417 1.00 21.68 ? 149 SER C O 1 ATOM 5494 C CB . SER C 1 147 ? -13.630 35.342 -47.230 1.00 21.74 ? 149 SER C CB 1 ATOM 5495 O OG . SER C 1 147 ? -12.749 36.436 -47.041 1.00 21.32 ? 149 SER C OG 1 ATOM 5496 N N . THR C 1 148 ? -11.162 35.311 -49.270 1.00 27.59 ? 150 THR C N 1 ATOM 5497 C CA . THR C 1 148 ? -9.720 35.148 -49.393 1.00 26.18 ? 150 THR C CA 1 ATOM 5498 C C . THR C 1 148 ? -9.043 35.639 -48.115 1.00 25.43 ? 150 THR C C 1 ATOM 5499 O O . THR C 1 148 ? -8.020 35.093 -47.688 1.00 26.65 ? 150 THR C O 1 ATOM 5500 C CB . THR C 1 148 ? -9.183 35.907 -50.620 1.00 25.72 ? 150 THR C CB 1 ATOM 5501 O OG1 . THR C 1 148 ? -9.819 35.401 -51.796 1.00 29.77 ? 150 THR C OG1 1 ATOM 5502 C CG2 . THR C 1 148 ? -7.692 35.724 -50.766 1.00 23.43 ? 150 THR C CG2 1 ATOM 5503 N N . CYS C 1 149 ? -9.635 36.659 -47.498 1.00 24.47 ? 151 CYS C N 1 ATOM 5504 C CA . CYS C 1 149 ? -9.058 37.286 -46.309 1.00 24.51 ? 151 CYS C CA 1 ATOM 5505 C C . CYS C 1 149 ? -10.046 37.398 -45.166 1.00 21.14 ? 151 CYS C C 1 ATOM 5506 O O . CYS C 1 149 ? -11.243 37.140 -45.318 1.00 19.91 ? 151 CYS C O 1 ATOM 5507 C CB . CYS C 1 149 ? -8.543 38.695 -46.620 1.00 22.89 ? 151 CYS C CB 1 ATOM 5508 S SG . CYS C 1 149 ? -7.631 38.877 -48.141 1.00 27.06 ? 151 CYS C SG 1 ATOM 5509 N N . MET C 1 150 ? -9.522 37.814 -44.020 1.00 22.82 ? 152 MET C N 1 ATOM 5510 C CA . MET C 1 150 ? -10.328 38.098 -42.844 1.00 21.68 ? 152 MET C CA 1 ATOM 5511 C C . MET C 1 150 ? -9.607 39.134 -41.992 1.00 21.25 ? 152 MET C C 1 ATOM 5512 O O . MET C 1 150 ? -8.380 39.100 -41.858 1.00 21.97 ? 152 MET C O 1 ATOM 5513 C CB . MET C 1 150 ? -10.593 36.825 -42.026 1.00 17.70 ? 152 MET C CB 1 ATOM 5514 C CG . MET C 1 150 ? -11.391 37.067 -40.731 1.00 20.99 ? 152 MET C CG 1 ATOM 5515 S SD . MET C 1 150 ? -11.482 35.616 -39.649 1.00 18.55 ? 152 MET C SD 1 ATOM 5516 C CE . MET C 1 150 ? -9.836 35.646 -38.900 1.00 22.11 ? 152 MET C CE 1 ATOM 5517 N N . THR C 1 151 ? -10.369 40.055 -41.421 1.00 16.35 ? 153 THR C N 1 ATOM 5518 C CA . THR C 1 151 ? -9.820 40.963 -40.434 1.00 16.64 ? 153 THR C CA 1 ATOM 5519 C C . THR C 1 151 ? -10.875 41.312 -39.414 1.00 17.42 ? 153 THR C C 1 ATOM 5520 O O . THR C 1 151 ? -12.046 41.459 -39.747 1.00 19.55 ? 153 THR C O 1 ATOM 5521 C CB . THR C 1 151 ? -9.277 42.272 -41.058 1.00 19.12 ? 153 THR C CB 1 ATOM 5522 O OG1 . THR C 1 151 ? -8.876 43.167 -40.010 1.00 18.18 ? 153 THR C OG1 1 ATOM 5523 C CG2 . THR C 1 151 ? -10.342 42.957 -41.919 1.00 16.09 ? 153 THR C CG2 1 ATOM 5524 N N . LEU C 1 152 ? -10.448 41.422 -38.164 1.00 15.54 ? 154 LEU C N 1 ATOM 5525 C CA . LEU C 1 152 ? -11.248 42.047 -37.139 1.00 12.21 ? 154 LEU C CA 1 ATOM 5526 C C . LEU C 1 152 ? -11.493 43.485 -37.552 1.00 15.77 ? 154 LEU C C 1 ATOM 5527 O O . LEU C 1 152 ? -10.602 44.142 -38.095 1.00 17.20 ? 154 LEU C O 1 ATOM 5528 C CB . LEU C 1 152 ? -10.537 41.998 -35.785 1.00 11.51 ? 154 LEU C CB 1 ATOM 5529 C CG . LEU C 1 152 ? -11.324 42.581 -34.612 1.00 14.63 ? 154 LEU C CG 1 ATOM 5530 C CD1 . LEU C 1 152 ? -12.524 41.674 -34.316 1.00 15.21 ? 154 LEU C CD1 1 ATOM 5531 C CD2 . LEU C 1 152 ? -10.452 42.747 -33.375 1.00 15.79 ? 154 LEU C CD2 1 ATOM 5532 N N . VAL C 1 153 ? -12.701 43.971 -37.315 1.00 18.55 ? 155 VAL C N 1 ATOM 5533 C CA . VAL C 1 153 ? -12.966 45.395 -37.408 1.00 19.34 ? 155 VAL C CA 1 ATOM 5534 C C . VAL C 1 153 ? -13.173 45.860 -35.979 1.00 23.64 ? 155 VAL C C 1 ATOM 5535 O O . VAL C 1 153 ? -14.198 45.557 -35.370 1.00 22.32 ? 155 VAL C O 1 ATOM 5536 C CB . VAL C 1 153 ? -14.191 45.713 -38.280 1.00 19.47 ? 155 VAL C CB 1 ATOM 5537 C CG1 . VAL C 1 153 ? -14.505 47.191 -38.220 1.00 23.03 ? 155 VAL C CG1 1 ATOM 5538 C CG2 . VAL C 1 153 ? -13.947 45.276 -39.727 1.00 18.28 ? 155 VAL C CG2 1 ATOM 5539 N N . ASN C 1 154 ? -12.188 46.574 -35.437 1.00 22.14 ? 156 ASN C N 1 ATOM 5540 C CA . ASN C 1 154 ? -12.133 46.796 -33.999 1.00 21.59 ? 156 ASN C CA 1 ATOM 5541 C C . ASN C 1 154 ? -12.887 48.042 -33.546 1.00 26.25 ? 156 ASN C C 1 ATOM 5542 O O . ASN C 1 154 ? -13.023 48.276 -32.352 1.00 26.72 ? 156 ASN C O 1 ATOM 5543 C CB . ASN C 1 154 ? -10.672 46.851 -33.525 1.00 25.33 ? 156 ASN C CB 1 ATOM 5544 C CG . ASN C 1 154 ? -9.877 47.984 -34.169 1.00 27.23 ? 156 ASN C CG 1 ATOM 5545 O OD1 . ASN C 1 154 ? -10.143 48.392 -35.298 1.00 32.32 ? 156 ASN C OD1 1 ATOM 5546 N ND2 . ASN C 1 154 ? -8.880 48.472 -33.458 1.00 27.21 ? 156 ASN C ND2 1 ATOM 5547 N N . SER C 1 155 ? -13.387 48.837 -34.487 1.00 23.85 ? 157 SER C N 1 ATOM 5548 C CA . SER C 1 155 ? -14.313 49.905 -34.118 1.00 25.51 ? 157 SER C CA 1 ATOM 5549 C C . SER C 1 155 ? -15.280 50.262 -35.246 1.00 28.69 ? 157 SER C C 1 ATOM 5550 O O . SER C 1 155 ? -14.891 50.815 -36.279 1.00 29.81 ? 157 SER C O 1 ATOM 5551 C CB . SER C 1 155 ? -13.560 51.161 -33.677 1.00 29.52 ? 157 SER C CB 1 ATOM 5552 O OG . SER C 1 155 ? -14.460 52.102 -33.093 1.00 36.64 ? 157 SER C OG 1 ATOM 5553 N N . LEU C 1 156 ? -16.546 49.928 -35.031 1.00 25.06 ? 158 LEU C N 1 ATOM 5554 C CA . LEU C 1 156 ? -17.625 50.332 -35.916 1.00 22.33 ? 158 LEU C CA 1 ATOM 5555 C C . LEU C 1 156 ? -17.989 51.791 -35.650 1.00 22.84 ? 158 LEU C C 1 ATOM 5556 O O . LEU C 1 156 ? -17.929 52.246 -34.505 1.00 23.11 ? 158 LEU C O 1 ATOM 5557 C CB . LEU C 1 156 ? -18.840 49.437 -35.695 1.00 24.36 ? 158 LEU C CB 1 ATOM 5558 C CG . LEU C 1 156 ? -19.090 48.187 -36.542 1.00 23.92 ? 158 LEU C CG 1 ATOM 5559 C CD1 . LEU C 1 156 ? -17.824 47.589 -37.084 1.00 23.04 ? 158 LEU C CD1 1 ATOM 5560 C CD2 . LEU C 1 156 ? -19.870 47.169 -35.724 1.00 26.56 ? 158 LEU C CD2 1 ATOM 5561 N N . ASP C 1 157 ? -18.354 52.534 -36.691 1.00 22.61 ? 159 ASP C N 1 ATOM 5562 C CA . ASP C 1 157 ? -18.910 53.871 -36.468 1.00 28.07 ? 159 ASP C CA 1 ATOM 5563 C C . ASP C 1 157 ? -20.315 53.725 -35.888 1.00 26.58 ? 159 ASP C C 1 ATOM 5564 O O . ASP C 1 157 ? -21.155 53.036 -36.464 1.00 25.10 ? 159 ASP C O 1 ATOM 5565 C CB . ASP C 1 157 ? -18.957 54.695 -37.755 1.00 22.38 ? 159 ASP C CB 1 ATOM 5566 C CG . ASP C 1 157 ? -17.598 54.876 -38.388 1.00 28.19 ? 159 ASP C CG 1 ATOM 5567 O OD1 . ASP C 1 157 ? -17.555 55.216 -39.588 1.00 29.90 ? 159 ASP C OD1 1 ATOM 5568 O OD2 . ASP C 1 157 ? -16.577 54.672 -37.695 1.00 30.45 ? 159 ASP C OD2 1 ATOM 5569 N N . THR C 1 158 ? -20.569 54.357 -34.746 1.00 20.37 ? 160 THR C N 1 ATOM 5570 C CA . THR C 1 158 ? -21.871 54.232 -34.093 1.00 24.29 ? 160 THR C CA 1 ATOM 5571 C C . THR C 1 158 ? -22.370 55.575 -33.548 1.00 29.30 ? 160 THR C C 1 ATOM 5572 O O . THR C 1 158 ? -21.570 56.425 -33.164 1.00 28.50 ? 160 THR C O 1 ATOM 5573 C CB . THR C 1 158 ? -21.819 53.211 -32.935 1.00 21.49 ? 160 THR C CB 1 ATOM 5574 O OG1 . THR C 1 158 ? -20.821 53.614 -31.992 1.00 24.56 ? 160 THR C OG1 1 ATOM 5575 C CG2 . THR C 1 158 ? -21.483 51.811 -33.448 1.00 23.32 ? 160 THR C CG2 1 ATOM 5576 N N . LYS C 1 159 ? -23.690 55.768 -33.527 1.00 41.28 ? 161 LYS C N 1 ATOM 5577 C CA . LYS C 1 159 ? -24.286 56.999 -32.997 1.00 44.16 ? 161 LYS C CA 1 ATOM 5578 C C . LYS C 1 159 ? -25.541 56.706 -32.181 1.00 42.92 ? 161 LYS C C 1 ATOM 5579 O O . LYS C 1 159 ? -26.454 56.026 -32.641 1.00 41.35 ? 161 LYS C O 1 ATOM 5580 C CB . LYS C 1 159 ? -24.642 57.981 -34.123 1.00 44.47 ? 161 LYS C CB 1 ATOM 5581 C CG . LYS C 1 159 ? -24.011 57.670 -35.475 1.00 53.75 ? 161 LYS C CG 1 ATOM 5582 C CD . LYS C 1 159 ? -24.560 58.573 -36.575 1.00 59.38 ? 161 LYS C CD 1 ATOM 5583 C CE . LYS C 1 159 ? -24.301 57.984 -37.955 1.00 59.83 ? 161 LYS C CE 1 ATOM 5584 N NZ . LYS C 1 159 ? -24.763 58.890 -39.050 1.00 65.65 ? 161 LYS C NZ 1 ATOM 5585 N N . ILE C 1 160 ? -25.580 57.253 -30.976 1.00 42.21 ? 162 ILE C N 1 ATOM 5586 C CA . ILE C 1 160 ? -26.693 57.069 -30.050 1.00 40.84 ? 162 ILE C CA 1 ATOM 5587 C C . ILE C 1 160 ? -27.596 58.297 -30.122 1.00 40.75 ? 162 ILE C C 1 ATOM 5588 O O . ILE C 1 160 ? -27.104 59.399 -30.330 1.00 40.54 ? 162 ILE C O 1 ATOM 5589 C CB . ILE C 1 160 ? -26.150 56.836 -28.613 1.00 42.04 ? 162 ILE C CB 1 ATOM 5590 C CG1 . ILE C 1 160 ? -26.115 55.345 -28.303 1.00 44.74 ? 162 ILE C CG1 1 ATOM 5591 C CG2 . ILE C 1 160 ? -26.937 57.584 -27.564 1.00 43.88 ? 162 ILE C CG2 1 ATOM 5592 C CD1 . ILE C 1 160 ? -25.453 54.529 -29.377 1.00 38.70 ? 162 ILE C CD1 1 ATOM 5593 N N . SER C 1 161 ? -28.908 58.123 -29.980 1.00 36.76 ? 163 SER C N 1 ATOM 5594 C CA . SER C 1 161 ? -29.816 59.276 -30.043 1.00 39.15 ? 163 SER C CA 1 ATOM 5595 C C . SER C 1 161 ? -29.839 60.045 -28.724 1.00 39.45 ? 163 SER C C 1 ATOM 5596 O O . SER C 1 161 ? -29.937 61.272 -28.705 1.00 44.06 ? 163 SER C O 1 ATOM 5597 C CB . SER C 1 161 ? -31.235 58.840 -30.414 1.00 36.09 ? 163 SER C CB 1 ATOM 5598 O OG . SER C 1 161 ? -31.804 58.013 -29.414 1.00 35.98 ? 163 SER C OG 1 ATOM 5599 N N . SER C 1 162 ? -29.733 59.317 -27.622 1.00 40.52 ? 164 SER C N 1 ATOM 5600 C CA . SER C 1 162 ? -29.826 59.921 -26.304 1.00 41.46 ? 164 SER C CA 1 ATOM 5601 C C . SER C 1 162 ? -28.632 60.807 -25.954 1.00 47.02 ? 164 SER C C 1 ATOM 5602 O O . SER C 1 162 ? -27.496 60.535 -26.358 1.00 44.80 ? 164 SER C O 1 ATOM 5603 C CB . SER C 1 162 ? -29.976 58.837 -25.242 1.00 36.75 ? 164 SER C CB 1 ATOM 5604 O OG . SER C 1 162 ? -29.728 59.375 -23.956 1.00 37.50 ? 164 SER C OG 1 ATOM 5605 N N . THR C 1 163 ? -28.909 61.859 -25.187 1.00 39.61 ? 165 THR C N 1 ATOM 5606 C CA . THR C 1 163 ? -27.887 62.769 -24.687 1.00 35.62 ? 165 THR C CA 1 ATOM 5607 C C . THR C 1 163 ? -27.685 62.582 -23.193 1.00 43.32 ? 165 THR C C 1 ATOM 5608 O O . THR C 1 163 ? -26.867 63.269 -22.582 1.00 50.09 ? 165 THR C O 1 ATOM 5609 C CB . THR C 1 163 ? -28.252 64.250 -24.939 1.00 46.40 ? 165 THR C CB 1 ATOM 5610 O OG1 . THR C 1 163 ? -29.563 64.517 -24.420 1.00 50.15 ? 165 THR C OG1 1 ATOM 5611 C CG2 . THR C 1 163 ? -28.221 64.578 -26.421 1.00 38.96 ? 165 THR C CG2 1 ATOM 5612 N N . THR C 1 164 ? -28.444 61.667 -22.600 1.00 44.69 ? 166 THR C N 1 ATOM 5613 C CA . THR C 1 164 ? -28.343 61.428 -21.165 1.00 43.57 ? 166 THR C CA 1 ATOM 5614 C C . THR C 1 164 ? -27.856 60.022 -20.845 1.00 44.12 ? 166 THR C C 1 ATOM 5615 O O . THR C 1 164 ? -27.279 59.793 -19.785 1.00 46.25 ? 166 THR C O 1 ATOM 5616 C CB . THR C 1 164 ? -29.695 61.659 -20.453 1.00 45.35 ? 166 THR C CB 1 ATOM 5617 O OG1 . THR C 1 164 ? -30.721 60.891 -21.095 1.00 43.48 ? 166 THR C OG1 1 ATOM 5618 C CG2 . THR C 1 164 ? -30.073 63.130 -20.493 1.00 47.02 ? 166 THR C CG2 1 ATOM 5619 N N . ALA C 1 165 ? -28.089 59.087 -21.762 1.00 43.42 ? 167 ALA C N 1 ATOM 5620 C CA . ALA C 1 165 ? -27.721 57.692 -21.548 1.00 41.50 ? 167 ALA C CA 1 ATOM 5621 C C . ALA C 1 165 ? -26.215 57.543 -21.348 1.00 45.49 ? 167 ALA C C 1 ATOM 5622 O O . ALA C 1 165 ? -25.419 58.159 -22.064 1.00 43.00 ? 167 ALA C O 1 ATOM 5623 C CB . ALA C 1 165 ? -28.193 56.834 -22.711 1.00 37.93 ? 167 ALA C CB 1 ATOM 5624 N N . THR C 1 166 ? -25.835 56.732 -20.364 1.00 42.19 ? 168 THR C N 1 ATOM 5625 C CA . THR C 1 166 ? -24.429 56.521 -20.036 1.00 39.65 ? 168 THR C CA 1 ATOM 5626 C C . THR C 1 166 ? -24.012 55.055 -20.182 1.00 38.54 ? 168 THR C C 1 ATOM 5627 O O . THR C 1 166 ? -24.849 54.150 -20.188 1.00 35.05 ? 168 THR C O 1 ATOM 5628 C CB . THR C 1 166 ? -24.112 56.988 -18.602 1.00 43.16 ? 168 THR C CB 1 ATOM 5629 O OG1 . THR C 1 166 ? -25.140 56.536 -17.710 1.00 45.72 ? 168 THR C OG1 1 ATOM 5630 C CG2 . THR C 1 166 ? -24.032 58.507 -18.546 1.00 44.97 ? 168 THR C CG2 1 ATOM 5631 N N . ALA C 1 167 ? -22.708 54.835 -20.290 1.00 29.85 ? 169 ALA C N 1 ATOM 5632 C CA . ALA C 1 167 ? -22.163 53.505 -20.519 1.00 28.17 ? 169 ALA C CA 1 ATOM 5633 C C . ALA C 1 167 ? -22.503 52.560 -19.375 1.00 26.29 ? 169 ALA C C 1 ATOM 5634 O O . ALA C 1 167 ? -22.191 52.831 -18.223 1.00 33.96 ? 169 ALA C O 1 ATOM 5635 C CB . ALA C 1 167 ? -20.651 53.586 -20.707 1.00 25.81 ? 169 ALA C CB 1 ATOM 5636 N N . GLY C 1 168 ? -23.142 51.446 -19.694 1.00 36.45 ? 170 GLY C N 1 ATOM 5637 C CA . GLY C 1 168 ? -23.503 50.479 -18.677 1.00 37.62 ? 170 GLY C CA 1 ATOM 5638 C C . GLY C 1 168 ? -22.291 49.811 -18.050 1.00 43.49 ? 170 GLY C C 1 ATOM 5639 O O . GLY C 1 168 ? -21.275 49.591 -18.709 1.00 45.39 ? 170 GLY C O 1 ATOM 5640 N N . THR C 1 169 ? -22.412 49.481 -16.769 1.00 43.37 ? 171 THR C N 1 ATOM 5641 C CA . THR C 1 169 ? -21.331 48.873 -16.000 1.00 37.97 ? 171 THR C CA 1 ATOM 5642 C C . THR C 1 169 ? -21.917 47.816 -15.076 1.00 36.80 ? 171 THR C C 1 ATOM 5643 O O . THR C 1 169 ? -22.946 48.045 -14.444 1.00 36.66 ? 171 THR C O 1 ATOM 5644 C CB . THR C 1 169 ? -20.564 49.932 -15.187 1.00 38.61 ? 171 THR C CB 1 ATOM 5645 O OG1 . THR C 1 169 ? -19.645 50.614 -16.049 1.00 52.99 ? 171 THR C OG1 1 ATOM 5646 C CG2 . THR C 1 169 ? -19.783 49.293 -14.066 1.00 43.17 ? 171 THR C CG2 1 ATOM 5647 N N . ALA C 1 170 ? -21.275 46.658 -14.997 1.00 35.80 ? 172 ALA C N 1 ATOM 5648 C CA . ALA C 1 170 ? -21.855 45.543 -14.253 1.00 37.02 ? 172 ALA C CA 1 ATOM 5649 C C . ALA C 1 170 ? -20.845 44.842 -13.353 1.00 34.04 ? 172 ALA C C 1 ATOM 5650 O O . ALA C 1 170 ? -19.688 44.670 -13.722 1.00 37.17 ? 172 ALA C O 1 ATOM 5651 C CB . ALA C 1 170 ? -22.476 44.544 -15.221 1.00 37.14 ? 172 ALA C CB 1 ATOM 5652 N N . SER C 1 171 ? -21.296 44.437 -12.170 1.00 36.78 ? 173 SER C N 1 ATOM 5653 C CA . SER C 1 171 ? -20.453 43.704 -11.231 1.00 44.00 ? 173 SER C CA 1 ATOM 5654 C C . SER C 1 171 ? -19.985 42.377 -11.811 1.00 35.86 ? 173 SER C C 1 ATOM 5655 O O . SER C 1 171 ? -18.813 42.019 -11.690 1.00 35.27 ? 173 SER C O 1 ATOM 5656 C CB . SER C 1 171 ? -21.201 43.455 -9.919 1.00 40.26 ? 173 SER C CB 1 ATOM 5657 O OG . SER C 1 171 ? -21.056 44.560 -9.048 1.00 55.33 ? 173 SER C OG 1 ATOM 5658 N N . SER C 1 172 ? -20.905 41.656 -12.445 1.00 31.60 ? 174 SER C N 1 ATOM 5659 C CA . SER C 1 172 ? -20.603 40.332 -12.978 1.00 38.00 ? 174 SER C CA 1 ATOM 5660 C C . SER C 1 172 ? -19.775 40.420 -14.261 1.00 38.62 ? 174 SER C C 1 ATOM 5661 O O . SER C 1 172 ? -19.485 39.398 -14.891 1.00 36.66 ? 174 SER C O 1 ATOM 5662 C CB . SER C 1 172 ? -21.889 39.543 -13.239 1.00 37.04 ? 174 SER C CB 1 ATOM 5663 O OG . SER C 1 172 ? -22.692 40.177 -14.221 1.00 39.54 ? 174 SER C OG 1 ATOM 5664 N N . CYS C 1 173 ? -19.399 41.640 -14.639 1.00 30.32 ? 175 CYS C N 1 ATOM 5665 C CA . CYS C 1 173 ? -18.492 41.854 -15.761 1.00 28.13 ? 175 CYS C CA 1 ATOM 5666 C C . CYS C 1 173 ? -17.320 42.717 -15.312 1.00 31.67 ? 175 CYS C C 1 ATOM 5667 O O . CYS C 1 173 ? -17.009 43.736 -15.933 1.00 29.41 ? 175 CYS C O 1 ATOM 5668 C CB . CYS C 1 173 ? -19.216 42.502 -16.944 1.00 30.13 ? 175 CYS C CB 1 ATOM 5669 S SG . CYS C 1 173 ? -18.389 42.271 -18.550 1.00 33.37 ? 175 CYS C SG 1 ATOM 5670 N N . SER C 1 174 ? -16.688 42.299 -14.217 1.00 32.26 ? 176 SER C N 1 ATOM 5671 C CA . SER C 1 174 ? -15.483 42.944 -13.700 1.00 32.64 ? 176 SER C CA 1 ATOM 5672 C C . SER C 1 174 ? -15.656 44.452 -13.495 1.00 34.06 ? 176 SER C C 1 ATOM 5673 O O . SER C 1 174 ? -14.729 45.227 -13.728 1.00 34.23 ? 176 SER C O 1 ATOM 5674 C CB . SER C 1 174 ? -14.303 42.671 -14.637 1.00 29.62 ? 176 SER C CB 1 ATOM 5675 O OG . SER C 1 174 ? -14.112 41.274 -14.815 1.00 28.37 ? 176 SER C OG 1 ATOM 5676 N N . SER C 1 175 ? -16.851 44.848 -13.057 1.00 35.35 ? 177 SER C N 1 ATOM 5677 C CA . SER C 1 175 ? -17.190 46.251 -12.803 1.00 37.75 ? 177 SER C CA 1 ATOM 5678 C C . SER C 1 175 ? -17.028 47.135 -14.030 1.00 35.01 ? 177 SER C C 1 ATOM 5679 O O . SER C 1 175 ? -16.666 48.304 -13.904 1.00 37.60 ? 177 SER C O 1 ATOM 5680 C CB . SER C 1 175 ? -16.345 46.813 -11.662 1.00 32.51 ? 177 SER C CB 1 ATOM 5681 O OG . SER C 1 175 ? -16.732 46.234 -10.435 1.00 37.31 ? 177 SER C OG 1 ATOM 5682 N N . SER C 1 176 ? -17.293 46.573 -15.206 1.00 32.73 ? 178 SER C N 1 ATOM 5683 C CA . SER C 1 176 ? -17.296 47.334 -16.453 1.00 30.88 ? 178 SER C CA 1 ATOM 5684 C C . SER C 1 176 ? -18.062 46.542 -17.497 1.00 30.29 ? 178 SER C C 1 ATOM 5685 O O . SER C 1 176 ? -19.035 45.874 -17.163 1.00 33.83 ? 178 SER C O 1 ATOM 5686 C CB . SER C 1 176 ? -15.870 47.641 -16.923 1.00 29.27 ? 178 SER C CB 1 ATOM 5687 O OG . SER C 1 176 ? -14.988 46.600 -16.560 1.00 37.09 ? 178 SER C OG 1 ATOM 5688 N N . TRP C 1 177 ? -17.629 46.594 -18.753 1.00 28.57 ? 179 TRP C N 1 ATOM 5689 C CA . TRP C 1 177 ? -18.380 45.930 -19.811 1.00 28.25 ? 179 TRP C CA 1 ATOM 5690 C C . TRP C 1 177 ? -17.514 45.511 -21.009 1.00 24.80 ? 179 TRP C C 1 ATOM 5691 O O . TRP C 1 177 ? -16.359 45.905 -21.112 1.00 26.90 ? 179 TRP C O 1 ATOM 5692 C CB . TRP C 1 177 ? -19.526 46.845 -20.276 1.00 27.45 ? 179 TRP C CB 1 ATOM 5693 C CG . TRP C 1 177 ? -20.493 46.141 -21.156 1.00 26.96 ? 179 TRP C CG 1 ATOM 5694 C CD1 . TRP C 1 177 ? -20.753 46.413 -22.461 1.00 26.02 ? 179 TRP C CD1 1 ATOM 5695 C CD2 . TRP C 1 177 ? -21.288 45.002 -20.813 1.00 27.87 ? 179 TRP C CD2 1 ATOM 5696 N NE1 . TRP C 1 177 ? -21.681 45.529 -22.951 1.00 28.39 ? 179 TRP C NE1 1 ATOM 5697 C CE2 . TRP C 1 177 ? -22.023 44.646 -21.958 1.00 26.69 ? 179 TRP C CE2 1 ATOM 5698 C CE3 . TRP C 1 177 ? -21.455 44.249 -19.642 1.00 30.68 ? 179 TRP C CE3 1 ATOM 5699 C CZ2 . TRP C 1 177 ? -22.911 43.575 -21.978 1.00 24.51 ? 179 TRP C CZ2 1 ATOM 5700 C CZ3 . TRP C 1 177 ? -22.339 43.185 -19.657 1.00 30.85 ? 179 TRP C CZ3 1 ATOM 5701 C CH2 . TRP C 1 177 ? -23.057 42.856 -20.821 1.00 32.54 ? 179 TRP C CH2 1 ATOM 5702 N N . MET C 1 178 ? -18.089 44.695 -21.895 1.00 26.62 ? 180 MET C N 1 ATOM 5703 C CA . MET C 1 178 ? -17.474 44.317 -23.166 1.00 24.48 ? 180 MET C CA 1 ATOM 5704 C C . MET C 1 178 ? -17.036 45.531 -23.994 1.00 31.47 ? 180 MET C C 1 ATOM 5705 O O . MET C 1 178 ? -17.526 46.646 -23.794 1.00 28.42 ? 180 MET C O 1 ATOM 5706 C CB . MET C 1 178 ? -18.446 43.490 -24.012 1.00 23.68 ? 180 MET C CB 1 ATOM 5707 C CG . MET C 1 178 ? -19.066 42.271 -23.341 1.00 26.65 ? 180 MET C CG 1 ATOM 5708 S SD . MET C 1 178 ? -17.827 41.037 -22.948 1.00 33.77 ? 180 MET C SD 1 ATOM 5709 C CE . MET C 1 178 ? -18.841 39.607 -22.585 1.00 27.75 ? 180 MET C CE 1 ATOM 5710 N N . LYS C 1 179 ? -16.118 45.306 -24.931 1.00 30.21 ? 181 LYS C N 1 ATOM 5711 C CA . LYS C 1 179 ? -15.809 46.306 -25.942 1.00 28.79 ? 181 LYS C CA 1 ATOM 5712 C C . LYS C 1 179 ? -16.945 46.334 -26.954 1.00 29.85 ? 181 LYS C C 1 ATOM 5713 O O . LYS C 1 179 ? -17.270 47.383 -27.513 1.00 29.82 ? 181 LYS C O 1 ATOM 5714 C CB . LYS C 1 179 ? -14.486 45.999 -26.640 1.00 30.41 ? 181 LYS C CB 1 ATOM 5715 C CG . LYS C 1 179 ? -13.267 46.058 -25.733 1.00 29.04 ? 181 LYS C CG 1 ATOM 5716 C CD . LYS C 1 179 ? -12.897 47.484 -25.395 1.00 36.07 ? 181 LYS C CD 1 ATOM 5717 C CE . LYS C 1 179 ? -11.494 47.550 -24.804 1.00 34.56 ? 181 LYS C CE 1 ATOM 5718 N NZ . LYS C 1 179 ? -10.571 46.630 -25.536 1.00 40.98 ? 181 LYS C NZ 1 ATOM 5719 N N . SER C 1 180 ? -17.536 45.163 -27.186 1.00 24.83 ? 182 SER C N 1 ATOM 5720 C CA . SER C 1 180 ? -18.671 45.020 -28.095 1.00 25.81 ? 182 SER C CA 1 ATOM 5721 C C . SER C 1 180 ? -19.596 43.920 -27.583 1.00 27.38 ? 182 SER C C 1 ATOM 5722 O O . SER C 1 180 ? -19.135 42.825 -27.280 1.00 25.51 ? 182 SER C O 1 ATOM 5723 C CB . SER C 1 180 ? -18.202 44.698 -29.516 1.00 20.66 ? 182 SER C CB 1 ATOM 5724 O OG . SER C 1 180 ? -19.304 44.546 -30.396 1.00 18.28 ? 182 SER C OG 1 ATOM 5725 N N . PRO C 1 181 ? -20.904 44.207 -27.478 1.00 22.67 ? 183 PRO C N 1 ATOM 5726 C CA . PRO C 1 181 ? -21.569 45.475 -27.804 1.00 21.80 ? 183 PRO C CA 1 ATOM 5727 C C . PRO C 1 181 ? -21.344 46.575 -26.784 1.00 22.63 ? 183 PRO C C 1 ATOM 5728 O O . PRO C 1 181 ? -21.014 46.292 -25.635 1.00 21.57 ? 183 PRO C O 1 ATOM 5729 C CB . PRO C 1 181 ? -23.049 45.092 -27.806 1.00 26.75 ? 183 PRO C CB 1 ATOM 5730 C CG . PRO C 1 181 ? -23.130 44.004 -26.793 1.00 20.34 ? 183 PRO C CG 1 ATOM 5731 C CD . PRO C 1 181 ? -21.870 43.198 -27.010 1.00 23.04 ? 183 PRO C CD 1 ATOM 5732 N N . LEU C 1 182 ? -21.535 47.820 -27.203 1.00 27.62 ? 184 LEU C N 1 ATOM 5733 C CA . LEU C 1 182 ? -21.652 48.915 -26.249 1.00 26.88 ? 184 LEU C CA 1 ATOM 5734 C C . LEU C 1 182 ? -22.986 48.791 -25.509 1.00 27.48 ? 184 LEU C C 1 ATOM 5735 O O . LEU C 1 182 ? -24.019 48.444 -26.094 1.00 25.27 ? 184 LEU C O 1 ATOM 5736 C CB . LEU C 1 182 ? -21.555 50.271 -26.945 1.00 24.85 ? 184 LEU C CB 1 ATOM 5737 C CG . LEU C 1 182 ? -20.198 50.666 -27.533 1.00 28.06 ? 184 LEU C CG 1 ATOM 5738 C CD1 . LEU C 1 182 ? -20.288 52.036 -28.193 1.00 25.49 ? 184 LEU C CD1 1 ATOM 5739 C CD2 . LEU C 1 182 ? -19.113 50.646 -26.468 1.00 27.61 ? 184 LEU C CD2 1 ATOM 5740 N N . TRP C 1 183 ? -22.948 49.061 -24.213 1.00 32.64 ? 185 TRP C N 1 ATOM 5741 C CA . TRP C 1 183 ? -24.147 49.057 -23.387 1.00 33.10 ? 185 TRP C CA 1 ATOM 5742 C C . TRP C 1 183 ? -24.448 50.472 -22.888 1.00 29.54 ? 185 TRP C C 1 ATOM 5743 O O . TRP C 1 183 ? -23.674 51.032 -22.123 1.00 32.08 ? 185 TRP C O 1 ATOM 5744 C CB . TRP C 1 183 ? -23.959 48.098 -22.215 1.00 27.56 ? 185 TRP C CB 1 ATOM 5745 C CG . TRP C 1 183 ? -25.129 48.004 -21.294 1.00 35.83 ? 185 TRP C CG 1 ATOM 5746 C CD1 . TRP C 1 183 ? -26.431 48.304 -21.579 1.00 32.59 ? 185 TRP C CD1 1 ATOM 5747 C CD2 . TRP C 1 183 ? -25.105 47.575 -19.925 1.00 32.95 ? 185 TRP C CD2 1 ATOM 5748 N NE1 . TRP C 1 183 ? -27.215 48.084 -20.474 1.00 35.68 ? 185 TRP C NE1 1 ATOM 5749 C CE2 . TRP C 1 183 ? -26.429 47.635 -19.447 1.00 34.60 ? 185 TRP C CE2 1 ATOM 5750 C CE3 . TRP C 1 183 ? -24.095 47.140 -19.063 1.00 32.26 ? 185 TRP C CE3 1 ATOM 5751 C CZ2 . TRP C 1 183 ? -26.768 47.278 -18.143 1.00 29.81 ? 185 TRP C CZ2 1 ATOM 5752 C CZ3 . TRP C 1 183 ? -24.432 46.795 -17.766 1.00 35.39 ? 185 TRP C CZ3 1 ATOM 5753 C CH2 . TRP C 1 183 ? -25.758 46.861 -17.322 1.00 31.59 ? 185 TRP C CH2 1 ATOM 5754 N N . TYR C 1 184 ? -25.564 51.048 -23.326 1.00 30.87 ? 186 TYR C N 1 ATOM 5755 C CA . TYR C 1 184 ? -25.953 52.395 -22.894 1.00 30.15 ? 186 TYR C CA 1 ATOM 5756 C C . TYR C 1 184 ? -27.142 52.367 -21.940 1.00 35.09 ? 186 TYR C C 1 ATOM 5757 O O . TYR C 1 184 ? -28.182 51.772 -22.236 1.00 36.30 ? 186 TYR C O 1 ATOM 5758 C CB . TYR C 1 184 ? -26.283 53.274 -24.098 1.00 31.42 ? 186 TYR C CB 1 ATOM 5759 C CG . TYR C 1 184 ? -25.068 53.702 -24.884 1.00 35.45 ? 186 TYR C CG 1 ATOM 5760 C CD1 . TYR C 1 184 ? -24.287 54.765 -24.458 1.00 37.41 ? 186 TYR C CD1 1 ATOM 5761 C CD2 . TYR C 1 184 ? -24.700 53.048 -26.050 1.00 33.13 ? 186 TYR C CD2 1 ATOM 5762 C CE1 . TYR C 1 184 ? -23.180 55.168 -25.173 1.00 35.72 ? 186 TYR C CE1 1 ATOM 5763 C CE2 . TYR C 1 184 ? -23.585 53.441 -26.770 1.00 31.94 ? 186 TYR C CE2 1 ATOM 5764 C CZ . TYR C 1 184 ? -22.833 54.505 -26.330 1.00 37.30 ? 186 TYR C CZ 1 ATOM 5765 O OH . TYR C 1 184 ? -21.721 54.909 -27.041 1.00 40.05 ? 186 TYR C OH 1 ATOM 5766 N N . ALA C 1 185 ? -26.981 53.029 -20.801 1.00 27.79 ? 187 ALA C N 1 ATOM 5767 C CA . ALA C 1 185 ? -27.991 53.029 -19.753 1.00 27.51 ? 187 ALA C CA 1 ATOM 5768 C C . ALA C 1 185 ? -28.505 54.434 -19.446 1.00 33.32 ? 187 ALA C C 1 ATOM 5769 O O . ALA C 1 185 ? -27.724 55.346 -19.172 1.00 30.24 ? 187 ALA C O 1 ATOM 5770 C CB . ALA C 1 185 ? -27.423 52.391 -18.483 1.00 19.48 ? 187 ALA C CB 1 ATOM 5771 N N . GLU C 1 186 ? -29.822 54.601 -19.494 1.00 47.87 ? 188 GLU C N 1 ATOM 5772 C CA . GLU C 1 186 ? -30.453 55.827 -19.015 1.00 47.71 ? 188 GLU C CA 1 ATOM 5773 C C . GLU C 1 186 ? -30.588 55.755 -17.500 1.00 54.33 ? 188 GLU C C 1 ATOM 5774 O O . GLU C 1 186 ? -31.444 55.035 -16.979 1.00 58.15 ? 188 GLU C O 1 ATOM 5775 C CB . GLU C 1 186 ? -31.831 56.041 -19.656 1.00 48.14 ? 188 GLU C CB 1 ATOM 5776 C CG . GLU C 1 186 ? -31.821 56.485 -21.112 1.00 45.86 ? 188 GLU C CG 1 ATOM 5777 C CD . GLU C 1 186 ? -31.344 57.911 -21.319 1.00 53.08 ? 188 GLU C CD 1 ATOM 5778 O OE1 . GLU C 1 186 ? -31.417 58.382 -22.476 1.00 50.60 ? 188 GLU C OE1 1 ATOM 5779 O OE2 . GLU C 1 186 ? -30.896 58.560 -20.345 1.00 53.40 ? 188 GLU C OE2 1 ATOM 5780 N N . SER C 1 187 ? -29.749 56.507 -16.795 1.00 53.76 ? 189 SER C N 1 ATOM 5781 C CA . SER C 1 187 ? -29.699 56.424 -15.339 1.00 55.01 ? 189 SER C CA 1 ATOM 5782 C C . SER C 1 187 ? -30.798 57.253 -14.675 1.00 59.39 ? 189 SER C C 1 ATOM 5783 O O . SER C 1 187 ? -30.895 57.298 -13.450 1.00 57.14 ? 189 SER C O 1 ATOM 5784 C CB . SER C 1 187 ? -28.326 56.869 -14.834 1.00 58.26 ? 189 SER C CB 1 ATOM 5785 O OG . SER C 1 187 ? -27.364 55.841 -15.022 1.00 66.22 ? 189 SER C OG 1 ATOM 5786 N N . SER C 1 188 ? -31.629 57.898 -15.486 1.00 59.93 ? 190 SER C N 1 ATOM 5787 C CA . SER C 1 188 ? -32.734 58.690 -14.963 1.00 60.01 ? 190 SER C CA 1 ATOM 5788 C C . SER C 1 188 ? -34.081 58.002 -15.181 1.00 65.67 ? 190 SER C C 1 ATOM 5789 O O . SER C 1 188 ? -35.129 58.557 -14.847 1.00 67.52 ? 190 SER C O 1 ATOM 5790 C CB . SER C 1 188 ? -32.750 60.079 -15.603 1.00 60.73 ? 190 SER C CB 1 ATOM 5791 O OG . SER C 1 188 ? -33.083 59.999 -16.978 1.00 64.27 ? 190 SER C OG 1 ATOM 5792 N N . VAL C 1 189 ? -34.060 56.803 -15.755 1.00 49.59 ? 191 VAL C N 1 ATOM 5793 C CA . VAL C 1 189 ? -35.278 56.013 -15.856 1.00 52.25 ? 191 VAL C CA 1 ATOM 5794 C C . VAL C 1 189 ? -35.531 55.313 -14.518 1.00 55.04 ? 191 VAL C C 1 ATOM 5795 O O . VAL C 1 189 ? -34.735 54.478 -14.080 1.00 50.10 ? 191 VAL C O 1 ATOM 5796 C CB . VAL C 1 189 ? -35.199 54.982 -16.990 1.00 50.43 ? 191 VAL C CB 1 ATOM 5797 C CG1 . VAL C 1 189 ? -36.335 53.979 -16.873 1.00 44.52 ? 191 VAL C CG1 1 ATOM 5798 C CG2 . VAL C 1 189 ? -35.238 55.678 -18.343 1.00 48.26 ? 191 VAL C CG2 1 ATOM 5799 N N . ASN C 1 190 ? -36.641 55.670 -13.877 1.00 46.14 ? 192 ASN C N 1 ATOM 5800 C CA . ASN C 1 190 ? -36.919 55.240 -12.514 1.00 51.77 ? 192 ASN C CA 1 ATOM 5801 C C . ASN C 1 190 ? -38.411 55.004 -12.277 1.00 56.34 ? 192 ASN C C 1 ATOM 5802 O O . ASN C 1 190 ? -39.190 55.957 -12.216 1.00 56.46 ? 192 ASN C O 1 ATOM 5803 C CB . ASN C 1 190 ? -36.384 56.266 -11.525 1.00 52.80 ? 192 ASN C CB 1 ATOM 5804 C CG . ASN C 1 190 ? -36.523 55.811 -10.102 1.00 54.17 ? 192 ASN C CG 1 ATOM 5805 O OD1 . ASN C 1 190 ? -36.448 54.617 -9.806 1.00 59.63 ? 192 ASN C OD1 1 ATOM 5806 N ND2 . ASN C 1 190 ? -36.746 56.760 -9.203 1.00 58.54 ? 192 ASN C ND2 1 ATOM 5807 N N . PRO C 1 191 ? -38.803 53.723 -12.172 1.00 76.40 ? 193 PRO C N 1 ATOM 5808 C CA . PRO C 1 191 ? -40.219 53.357 -12.015 1.00 78.57 ? 193 PRO C CA 1 ATOM 5809 C C . PRO C 1 191 ? -40.995 53.678 -10.693 1.00 79.23 ? 193 PRO C C 1 ATOM 5810 O O . PRO C 1 191 ? -41.813 52.846 -10.288 1.00 80.87 ? 193 PRO C O 1 ATOM 5811 C CB . PRO C 1 191 ? -40.197 51.826 -12.241 1.00 81.01 ? 193 PRO C CB 1 ATOM 5812 C CG . PRO C 1 191 ? -39.000 51.564 -13.092 1.00 69.96 ? 193 PRO C CG 1 ATOM 5813 C CD . PRO C 1 191 ? -37.997 52.634 -12.761 1.00 71.22 ? 193 PRO C CD 1 ATOM 5814 N N . PRO C 1 195 ? -41.291 58.014 -8.680 1.00 83.90 ? 197 PRO C N 1 ATOM 5815 C CA . PRO C 1 195 ? -42.217 57.106 -9.363 1.00 85.18 ? 197 PRO C CA 1 ATOM 5816 C C . PRO C 1 195 ? -43.425 57.847 -9.926 1.00 81.70 ? 197 PRO C C 1 ATOM 5817 O O . PRO C 1 195 ? -44.136 58.522 -9.182 1.00 85.53 ? 197 PRO C O 1 ATOM 5818 C CB . PRO C 1 195 ? -42.656 56.156 -8.248 1.00 83.21 ? 197 PRO C CB 1 ATOM 5819 C CG . PRO C 1 195 ? -42.529 56.965 -7.002 1.00 76.46 ? 197 PRO C CG 1 ATOM 5820 C CD . PRO C 1 195 ? -41.341 57.860 -7.215 1.00 83.50 ? 197 PRO C CD 1 ATOM 5821 N N . GLN C 1 196 ? -43.649 57.718 -11.230 1.00 70.47 ? 198 GLN C N 1 ATOM 5822 C CA . GLN C 1 196 ? -42.807 56.931 -12.057 1.00 70.60 ? 198 GLN C CA 1 ATOM 5823 C C . GLN C 1 196 ? -42.175 57.713 -13.170 1.00 62.66 ? 198 GLN C C 1 ATOM 5824 O O . GLN C 1 196 ? -42.647 58.737 -13.631 1.00 55.40 ? 198 GLN C O 1 ATOM 5825 C CB . GLN C 1 196 ? -43.519 55.658 -12.498 1.00 66.79 ? 198 GLN C CB 1 ATOM 5826 C CG . GLN C 1 196 ? -44.138 55.689 -13.856 1.00 63.03 ? 198 GLN C CG 1 ATOM 5827 C CD . GLN C 1 196 ? -44.473 54.314 -14.331 1.00 68.04 ? 198 GLN C CD 1 ATOM 5828 O OE1 . GLN C 1 196 ? -44.099 53.327 -13.726 1.00 71.74 ? 198 GLN C OE1 1 ATOM 5829 N NE2 . GLN C 1 196 ? -45.189 54.241 -15.419 1.00 60.79 ? 198 GLN C NE2 1 ATOM 5830 N N . VAL C 1 197 ? -41.050 57.187 -13.569 1.00 56.16 ? 199 VAL C N 1 ATOM 5831 C CA . VAL C 1 197 ? -40.135 57.916 -14.438 1.00 53.85 ? 199 VAL C CA 1 ATOM 5832 C C . VAL C 1 197 ? -39.819 57.117 -15.699 1.00 50.06 ? 199 VAL C C 1 ATOM 5833 O O . VAL C 1 197 ? -38.765 56.488 -15.799 1.00 49.69 ? 199 VAL C O 1 ATOM 5834 C CB . VAL C 1 197 ? -38.819 58.256 -13.714 1.00 53.64 ? 199 VAL C CB 1 ATOM 5835 C CG1 . VAL C 1 197 ? -39.005 59.474 -12.822 1.00 48.78 ? 199 VAL C CG1 1 ATOM 5836 C CG2 . VAL C 1 197 ? -38.335 57.063 -12.905 1.00 53.29 ? 199 VAL C CG2 1 ATOM 5837 N N . CYS C 1 198 ? -40.738 57.147 -16.658 1.00 78.94 ? 200 CYS C N 1 ATOM 5838 C CA . CYS C 1 198 ? -40.560 56.425 -17.913 1.00 76.87 ? 200 CYS C CA 1 ATOM 5839 C C . CYS C 1 198 ? -39.916 57.340 -18.941 1.00 85.01 ? 200 CYS C C 1 ATOM 5840 O O . CYS C 1 198 ? -40.570 58.241 -19.471 1.00 93.55 ? 200 CYS C O 1 ATOM 5841 C CB . CYS C 1 198 ? -41.898 55.905 -18.447 1.00 71.57 ? 200 CYS C CB 1 ATOM 5842 S SG . CYS C 1 198 ? -42.494 54.399 -17.670 1.00 94.69 ? 200 CYS C SG 1 ATOM 5843 N N . GLY C 1 199 ? -38.640 57.111 -19.232 1.00 58.51 ? 201 GLY C N 1 ATOM 5844 C CA . GLY C 1 199 ? -37.912 57.988 -20.128 1.00 52.72 ? 201 GLY C CA 1 ATOM 5845 C C . GLY C 1 199 ? -38.352 57.866 -21.576 1.00 60.19 ? 201 GLY C C 1 ATOM 5846 O O . GLY C 1 199 ? -39.421 57.326 -21.882 1.00 56.25 ? 201 GLY C O 1 ATOM 5847 N N . THR C 1 200 ? -37.510 58.373 -22.471 1.00 50.93 ? 202 THR C N 1 ATOM 5848 C CA . THR C 1 200 ? -37.765 58.320 -23.905 1.00 49.57 ? 202 THR C CA 1 ATOM 5849 C C . THR C 1 200 ? -37.032 57.142 -24.554 1.00 47.42 ? 202 THR C C 1 ATOM 5850 O O . THR C 1 200 ? -35.901 56.827 -24.181 1.00 45.41 ? 202 THR C O 1 ATOM 5851 C CB . THR C 1 200 ? -37.336 59.634 -24.578 1.00 48.77 ? 202 THR C CB 1 ATOM 5852 O OG1 . THR C 1 200 ? -38.047 60.723 -23.975 1.00 55.24 ? 202 THR C OG1 1 ATOM 5853 C CG2 . THR C 1 200 ? -37.623 59.609 -26.072 1.00 43.02 ? 202 THR C CG2 1 ATOM 5854 N N . GLU C 1 201 ? -37.693 56.496 -25.514 1.00 47.72 ? 203 GLU C N 1 ATOM 5855 C CA . GLU C 1 201 ? -37.129 55.378 -26.264 1.00 44.47 ? 203 GLU C CA 1 ATOM 5856 C C . GLU C 1 201 ? -35.721 55.679 -26.776 1.00 44.71 ? 203 GLU C C 1 ATOM 5857 O O . GLU C 1 201 ? -35.443 56.781 -27.242 1.00 44.39 ? 203 GLU C O 1 ATOM 5858 C CB . GLU C 1 201 ? -38.045 55.016 -27.441 1.00 40.07 ? 203 GLU C CB 1 ATOM 5859 C CG . GLU C 1 201 ? -37.423 54.053 -28.438 1.00 40.30 ? 203 GLU C CG 1 ATOM 5860 C CD . GLU C 1 201 ? -38.333 53.732 -29.610 1.00 45.25 ? 203 GLU C CD 1 ATOM 5861 O OE1 . GLU C 1 201 ? -38.962 52.649 -29.607 1.00 44.52 ? 203 GLU C OE1 1 ATOM 5862 O OE2 . GLU C 1 201 ? -38.401 54.557 -30.547 1.00 50.54 ? 203 GLU C OE2 1 ATOM 5863 N N . GLN C 1 202 ? -34.831 54.697 -26.670 1.00 43.92 ? 204 GLN C N 1 ATOM 5864 C CA . GLN C 1 202 ? -33.467 54.850 -27.158 1.00 43.19 ? 204 GLN C CA 1 ATOM 5865 C C . GLN C 1 202 ? -33.324 54.365 -28.598 1.00 40.23 ? 204 GLN C C 1 ATOM 5866 O O . GLN C 1 202 ? -33.934 53.372 -29.001 1.00 42.31 ? 204 GLN C O 1 ATOM 5867 C CB . GLN C 1 202 ? -32.482 54.107 -26.255 1.00 42.64 ? 204 GLN C CB 1 ATOM 5868 C CG . GLN C 1 202 ? -32.095 54.882 -25.010 1.00 41.50 ? 204 GLN C CG 1 ATOM 5869 C CD . GLN C 1 202 ? -30.829 54.355 -24.366 1.00 42.48 ? 204 GLN C CD 1 ATOM 5870 O OE1 . GLN C 1 202 ? -29.723 54.707 -24.777 1.00 38.04 ? 204 GLN C OE1 1 ATOM 5871 N NE2 . GLN C 1 202 ? -30.982 53.522 -23.341 1.00 42.99 ? 204 GLN C NE2 1 ATOM 5872 N N . SER C 1 203 ? -32.510 55.091 -29.360 1.00 42.55 ? 205 SER C N 1 ATOM 5873 C CA . SER C 1 203 ? -32.270 54.822 -30.772 1.00 43.94 ? 205 SER C CA 1 ATOM 5874 C C . SER C 1 203 ? -30.772 54.889 -31.053 1.00 41.11 ? 205 SER C C 1 ATOM 5875 O O . SER C 1 203 ? -30.045 55.596 -30.355 1.00 40.65 ? 205 SER C O 1 ATOM 5876 C CB . SER C 1 203 ? -33.021 55.831 -31.647 1.00 42.34 ? 205 SER C CB 1 ATOM 5877 O OG . SER C 1 203 ? -33.146 55.371 -32.983 1.00 48.97 ? 205 SER C OG 1 ATOM 5878 N N . ALA C 1 204 ? -30.315 54.160 -32.068 1.00 29.17 ? 206 ALA C N 1 ATOM 5879 C CA . ALA C 1 204 ? -28.904 54.178 -32.452 1.00 32.10 ? 206 ALA C CA 1 ATOM 5880 C C . ALA C 1 204 ? -28.709 53.658 -33.869 1.00 30.88 ? 206 ALA C C 1 ATOM 5881 O O . ALA C 1 204 ? -29.567 52.972 -34.413 1.00 32.92 ? 206 ALA C O 1 ATOM 5882 C CB . ALA C 1 204 ? -28.069 53.359 -31.478 1.00 30.57 ? 206 ALA C CB 1 ATOM 5883 N N . THR C 1 205 ? -27.583 54.009 -34.476 1.00 32.42 ? 207 THR C N 1 ATOM 5884 C CA . THR C 1 205 ? -27.191 53.396 -35.740 1.00 33.53 ? 207 THR C CA 1 ATOM 5885 C C . THR C 1 205 ? -25.746 52.918 -35.671 1.00 27.42 ? 207 THR C C 1 ATOM 5886 O O . THR C 1 205 ? -24.929 53.476 -34.941 1.00 28.66 ? 207 THR C O 1 ATOM 5887 C CB . THR C 1 205 ? -27.343 54.358 -36.940 1.00 35.07 ? 207 THR C CB 1 ATOM 5888 O OG1 . THR C 1 205 ? -26.191 55.201 -37.028 1.00 36.50 ? 207 THR C OG1 1 ATOM 5889 C CG2 . THR C 1 205 ? -28.606 55.208 -36.813 1.00 35.41 ? 207 THR C CG2 1 ATOM 5890 N N . PHE C 1 206 ? -25.443 51.865 -36.417 1.00 27.99 ? 208 PHE C N 1 ATOM 5891 C CA . PHE C 1 206 ? -24.078 51.365 -36.515 1.00 27.77 ? 208 PHE C CA 1 ATOM 5892 C C . PHE C 1 206 ? -23.763 51.059 -37.971 1.00 27.48 ? 208 PHE C C 1 ATOM 5893 O O . PHE C 1 206 ? -24.621 50.578 -38.714 1.00 30.00 ? 208 PHE C O 1 ATOM 5894 C CB . PHE C 1 206 ? -23.869 50.125 -35.635 1.00 21.93 ? 208 PHE C CB 1 ATOM 5895 C CG . PHE C 1 206 ? -24.728 48.948 -36.005 1.00 24.98 ? 208 PHE C CG 1 ATOM 5896 C CD1 . PHE C 1 206 ? -24.285 48.006 -36.919 1.00 25.70 ? 208 PHE C CD1 1 ATOM 5897 C CD2 . PHE C 1 206 ? -25.966 48.759 -35.406 1.00 25.60 ? 208 PHE C CD2 1 ATOM 5898 C CE1 . PHE C 1 206 ? -25.075 46.907 -37.247 1.00 28.44 ? 208 PHE C CE1 1 ATOM 5899 C CE2 . PHE C 1 206 ? -26.756 47.667 -35.726 1.00 23.72 ? 208 PHE C CE2 1 ATOM 5900 C CZ . PHE C 1 206 ? -26.309 46.738 -36.643 1.00 23.35 ? 208 PHE C CZ 1 ATOM 5901 N N . THR C 1 207 ? -22.539 51.352 -38.385 1.00 20.33 ? 209 THR C N 1 ATOM 5902 C CA . THR C 1 207 ? -22.192 51.241 -39.793 1.00 22.05 ? 209 THR C CA 1 ATOM 5903 C C . THR C 1 207 ? -21.195 50.118 -40.051 1.00 22.13 ? 209 THR C C 1 ATOM 5904 O O . THR C 1 207 ? -20.135 50.044 -39.424 1.00 19.68 ? 209 THR C O 1 ATOM 5905 C CB . THR C 1 207 ? -21.620 52.565 -40.323 1.00 23.58 ? 209 THR C CB 1 ATOM 5906 O OG1 . THR C 1 207 ? -22.585 53.607 -40.130 1.00 23.03 ? 209 THR C OG1 1 ATOM 5907 C CG2 . THR C 1 207 ? -21.290 52.452 -41.802 1.00 18.72 ? 209 THR C CG2 1 ATOM 5908 N N . LEU C 1 208 ? -21.558 49.232 -40.970 1.00 24.90 ? 210 LEU C N 1 ATOM 5909 C CA . LEU C 1 208 ? -20.667 48.176 -41.408 1.00 24.16 ? 210 LEU C CA 1 ATOM 5910 C C . LEU C 1 208 ? -19.957 48.646 -42.668 1.00 24.92 ? 210 LEU C C 1 ATOM 5911 O O . LEU C 1 208 ? -20.578 48.781 -43.718 1.00 27.42 ? 210 LEU C O 1 ATOM 5912 C CB . LEU C 1 208 ? -21.437 46.875 -41.657 1.00 27.20 ? 210 LEU C CB 1 ATOM 5913 C CG . LEU C 1 208 ? -22.212 46.273 -40.477 1.00 23.45 ? 210 LEU C CG 1 ATOM 5914 C CD1 . LEU C 1 208 ? -22.858 44.957 -40.889 1.00 20.44 ? 210 LEU C CD1 1 ATOM 5915 C CD2 . LEU C 1 208 ? -21.305 46.068 -39.277 1.00 23.44 ? 210 LEU C CD2 1 ATOM 5916 N N . PRO C 1 209 ? -18.647 48.908 -42.559 1.00 29.78 ? 211 PRO C N 1 ATOM 5917 C CA . PRO C 1 209 ? -17.857 49.565 -43.611 1.00 24.62 ? 211 PRO C CA 1 ATOM 5918 C C . PRO C 1 209 ? -17.664 48.686 -44.840 1.00 25.33 ? 211 PRO C C 1 ATOM 5919 O O . PRO C 1 209 ? -17.826 47.467 -44.769 1.00 29.50 ? 211 PRO C O 1 ATOM 5920 C CB . PRO C 1 209 ? -16.520 49.833 -42.917 1.00 25.42 ? 211 PRO C CB 1 ATOM 5921 C CG . PRO C 1 209 ? -16.397 48.692 -41.946 1.00 27.06 ? 211 PRO C CG 1 ATOM 5922 C CD . PRO C 1 209 ? -17.805 48.476 -41.427 1.00 26.26 ? 211 PRO C CD 1 ATOM 5923 N N . THR C 1 210 ? -17.316 49.301 -45.961 1.00 23.79 ? 212 THR C N 1 ATOM 5924 C CA . THR C 1 210 ? -17.094 48.565 -47.194 1.00 18.87 ? 212 THR C CA 1 ATOM 5925 C C . THR C 1 210 ? -15.625 48.154 -47.300 1.00 23.25 ? 212 THR C C 1 ATOM 5926 O O . THR C 1 210 ? -15.242 47.386 -48.183 1.00 22.75 ? 212 THR C O 1 ATOM 5927 C CB . THR C 1 210 ? -17.506 49.402 -48.426 1.00 30.76 ? 212 THR C CB 1 ATOM 5928 O OG1 . THR C 1 210 ? -16.777 50.633 -48.444 1.00 21.75 ? 212 THR C OG1 1 ATOM 5929 C CG2 . THR C 1 210 ? -18.994 49.724 -48.387 1.00 25.61 ? 212 THR C CG2 1 ATOM 5930 N N . SER C 1 211 ? -14.811 48.664 -46.379 1.00 18.48 ? 213 SER C N 1 ATOM 5931 C CA . SER C 1 211 ? -13.402 48.299 -46.295 1.00 23.55 ? 213 SER C CA 1 ATOM 5932 C C . SER C 1 211 ? -12.857 48.572 -44.899 1.00 25.41 ? 213 SER C C 1 ATOM 5933 O O . SER C 1 211 ? -13.463 49.299 -44.113 1.00 22.07 ? 213 SER C O 1 ATOM 5934 C CB . SER C 1 211 ? -12.569 49.066 -47.324 1.00 25.56 ? 213 SER C CB 1 ATOM 5935 O OG . SER C 1 211 ? -12.427 50.424 -46.947 1.00 27.02 ? 213 SER C OG 1 ATOM 5936 N N . PHE C 1 212 ? -11.710 47.979 -44.594 1.00 23.20 ? 214 PHE C N 1 ATOM 5937 C CA . PHE C 1 212 ? -11.031 48.235 -43.333 1.00 23.06 ? 214 PHE C CA 1 ATOM 5938 C C . PHE C 1 212 ? -9.526 48.100 -43.526 1.00 25.67 ? 214 PHE C C 1 ATOM 5939 O O . PHE C 1 212 ? -9.010 46.994 -43.702 1.00 24.81 ? 214 PHE C O 1 ATOM 5940 C CB . PHE C 1 212 ? -11.528 47.286 -42.248 1.00 22.39 ? 214 PHE C CB 1 ATOM 5941 C CG . PHE C 1 212 ? -10.990 47.599 -40.884 1.00 23.08 ? 214 PHE C CG 1 ATOM 5942 C CD1 . PHE C 1 212 ? -11.527 48.639 -40.136 1.00 24.79 ? 214 PHE C CD1 1 ATOM 5943 C CD2 . PHE C 1 212 ? -9.954 46.853 -40.345 1.00 20.03 ? 214 PHE C CD2 1 ATOM 5944 C CE1 . PHE C 1 212 ? -11.034 48.938 -38.877 1.00 25.67 ? 214 PHE C CE1 1 ATOM 5945 C CE2 . PHE C 1 212 ? -9.447 47.150 -39.084 1.00 20.69 ? 214 PHE C CE2 1 ATOM 5946 C CZ . PHE C 1 212 ? -9.990 48.192 -38.351 1.00 26.68 ? 214 PHE C CZ 1 ATOM 5947 N N . GLY C 1 213 ? -8.827 49.233 -43.500 1.00 29.48 ? 215 GLY C N 1 ATOM 5948 C CA . GLY C 1 213 ? -7.428 49.270 -43.883 1.00 21.07 ? 215 GLY C CA 1 ATOM 5949 C C . GLY C 1 213 ? -7.330 48.789 -45.313 1.00 24.67 ? 215 GLY C C 1 ATOM 5950 O O . GLY C 1 213 ? -8.053 49.274 -46.183 1.00 30.89 ? 215 GLY C O 1 ATOM 5951 N N . ILE C 1 214 ? -6.467 47.806 -45.545 1.00 24.06 ? 216 ILE C N 1 ATOM 5952 C CA . ILE C 1 214 ? -6.255 47.230 -46.872 1.00 21.48 ? 216 ILE C CA 1 ATOM 5953 C C . ILE C 1 214 ? -7.316 46.195 -47.250 1.00 21.70 ? 216 ILE C C 1 ATOM 5954 O O . ILE C 1 214 ? -7.362 45.727 -48.386 1.00 18.08 ? 216 ILE C O 1 ATOM 5955 C CB . ILE C 1 214 ? -4.878 46.553 -46.959 1.00 24.42 ? 216 ILE C CB 1 ATOM 5956 C CG1 . ILE C 1 214 ? -4.848 45.331 -46.034 1.00 22.00 ? 216 ILE C CG1 1 ATOM 5957 C CG2 . ILE C 1 214 ? -3.782 47.537 -46.563 1.00 23.25 ? 216 ILE C CG2 1 ATOM 5958 C CD1 . ILE C 1 214 ? -3.555 44.550 -46.078 1.00 23.69 ? 216 ILE C CD1 1 ATOM 5959 N N . TYR C 1 215 ? -8.174 45.839 -46.300 1.00 19.89 ? 217 TYR C N 1 ATOM 5960 C CA . TYR C 1 215 ? -9.134 44.764 -46.530 1.00 19.94 ? 217 TYR C CA 1 ATOM 5961 C C . TYR C 1 215 ? -10.468 45.233 -47.110 1.00 19.80 ? 217 TYR C C 1 ATOM 5962 O O . TYR C 1 215 ? -11.064 46.203 -46.648 1.00 22.31 ? 217 TYR C O 1 ATOM 5963 C CB . TYR C 1 215 ? -9.360 43.999 -45.229 1.00 17.99 ? 217 TYR C CB 1 ATOM 5964 C CG . TYR C 1 215 ? -8.085 43.368 -44.715 1.00 19.02 ? 217 TYR C CG 1 ATOM 5965 C CD1 . TYR C 1 215 ? -7.302 44.006 -43.754 1.00 23.14 ? 217 TYR C CD1 1 ATOM 5966 C CD2 . TYR C 1 215 ? -7.642 42.161 -45.218 1.00 14.53 ? 217 TYR C CD2 1 ATOM 5967 C CE1 . TYR C 1 215 ? -6.125 43.431 -43.289 1.00 20.71 ? 217 TYR C CE1 1 ATOM 5968 C CE2 . TYR C 1 215 ? -6.476 41.583 -44.770 1.00 24.01 ? 217 TYR C CE2 1 ATOM 5969 C CZ . TYR C 1 215 ? -5.717 42.218 -43.806 1.00 24.67 ? 217 TYR C CZ 1 ATOM 5970 O OH . TYR C 1 215 ? -4.551 41.627 -43.367 1.00 25.07 ? 217 TYR C OH 1 ATOM 5971 N N . LYS C 1 216 ? -10.919 44.533 -48.144 1.00 20.14 ? 218 LYS C N 1 ATOM 5972 C CA . LYS C 1 216 ? -12.219 44.787 -48.744 1.00 20.69 ? 218 LYS C CA 1 ATOM 5973 C C . LYS C 1 216 ? -13.286 43.991 -48.011 1.00 21.36 ? 218 LYS C C 1 ATOM 5974 O O . LYS C 1 216 ? -13.125 42.792 -47.783 1.00 22.33 ? 218 LYS C O 1 ATOM 5975 C CB . LYS C 1 216 ? -12.212 44.418 -50.230 1.00 22.41 ? 218 LYS C CB 1 ATOM 5976 C CG . LYS C 1 216 ? -13.582 44.510 -50.887 1.00 23.61 ? 218 LYS C CG 1 ATOM 5977 C CD . LYS C 1 216 ? -13.520 44.157 -52.368 1.00 25.76 ? 218 LYS C CD 1 ATOM 5978 C CE . LYS C 1 216 ? -13.119 42.702 -52.564 1.00 24.74 ? 218 LYS C CE 1 ATOM 5979 N NZ . LYS C 1 216 ? -13.238 42.259 -53.977 1.00 26.46 ? 218 LYS C NZ 1 ATOM 5980 N N . CYS C 1 217 ? -14.378 44.654 -47.645 1.00 22.25 ? 219 CYS C N 1 ATOM 5981 C CA . CYS C 1 217 ? -15.451 43.984 -46.927 1.00 20.53 ? 219 CYS C CA 1 ATOM 5982 C C . CYS C 1 217 ? -16.667 43.749 -47.819 1.00 23.47 ? 219 CYS C C 1 ATOM 5983 O O . CYS C 1 217 ? -17.375 44.686 -48.190 1.00 24.11 ? 219 CYS C O 1 ATOM 5984 C CB . CYS C 1 217 ? -15.872 44.795 -45.703 1.00 23.13 ? 219 CYS C CB 1 ATOM 5985 S SG . CYS C 1 217 ? -14.542 45.103 -44.502 1.00 28.19 ? 219 CYS C SG 1 ATOM 5986 N N . ASN C 1 218 ? -16.925 42.495 -48.161 1.00 22.07 ? 220 ASN C N 1 ATOM 5987 C CA . ASN C 1 218 ? -18.175 42.165 -48.830 1.00 23.89 ? 220 ASN C CA 1 ATOM 5988 C C . ASN C 1 218 ? -19.202 41.663 -47.821 1.00 25.65 ? 220 ASN C C 1 ATOM 5989 O O . ASN C 1 218 ? -20.403 41.872 -47.993 1.00 23.81 ? 220 ASN C O 1 ATOM 5990 C CB . ASN C 1 218 ? -17.931 41.131 -49.926 1.00 23.51 ? 220 ASN C CB 1 ATOM 5991 C CG . ASN C 1 218 ? -16.984 41.644 -51.003 1.00 27.01 ? 220 ASN C CG 1 ATOM 5992 O OD1 . ASN C 1 218 ? -15.850 41.187 -51.111 1.00 23.95 ? 220 ASN C OD1 1 ATOM 5993 N ND2 . ASN C 1 218 ? -17.453 42.595 -51.808 1.00 23.18 ? 220 ASN C ND2 1 ATOM 5994 N N . LYS C 1 219 ? -18.711 41.021 -46.759 1.00 25.06 ? 221 LYS C N 1 ATOM 5995 C CA . LYS C 1 219 ? -19.557 40.457 -45.709 1.00 22.59 ? 221 LYS C CA 1 ATOM 5996 C C . LYS C 1 219 ? -19.006 40.805 -44.317 1.00 23.50 ? 221 LYS C C 1 ATOM 5997 O O . LYS C 1 219 ? -17.803 40.999 -44.152 1.00 21.23 ? 221 LYS C O 1 ATOM 5998 C CB . LYS C 1 219 ? -19.667 38.935 -45.875 1.00 25.91 ? 221 LYS C CB 1 ATOM 5999 C CG . LYS C 1 219 ? -20.187 38.478 -47.241 1.00 22.91 ? 221 LYS C CG 1 ATOM 6000 C CD . LYS C 1 219 ? -21.649 38.848 -47.407 1.00 22.77 ? 221 LYS C CD 1 ATOM 6001 C CE . LYS C 1 219 ? -22.193 38.440 -48.774 1.00 26.03 ? 221 LYS C CE 1 ATOM 6002 N NZ . LYS C 1 219 ? -23.631 38.847 -48.933 1.00 24.11 ? 221 LYS C NZ 1 ATOM 6003 N N . HIS C 1 220 ? -19.893 40.906 -43.330 1.00 22.55 ? 222 HIS C N 1 ATOM 6004 C CA . HIS C 1 220 ? -19.496 41.125 -41.938 1.00 18.63 ? 222 HIS C CA 1 ATOM 6005 C C . HIS C 1 220 ? -20.165 40.098 -41.034 1.00 20.63 ? 222 HIS C C 1 ATOM 6006 O O . HIS C 1 220 ? -21.340 39.794 -41.207 1.00 20.19 ? 222 HIS C O 1 ATOM 6007 C CB . HIS C 1 220 ? -19.874 42.532 -41.449 1.00 18.32 ? 222 HIS C CB 1 ATOM 6008 C CG . HIS C 1 220 ? -19.071 43.637 -42.064 1.00 24.24 ? 222 HIS C CG 1 ATOM 6009 N ND1 . HIS C 1 220 ? -17.943 44.159 -41.469 1.00 21.17 ? 222 HIS C ND1 1 ATOM 6010 C CD2 . HIS C 1 220 ? -19.249 44.336 -43.212 1.00 22.53 ? 222 HIS C CD2 1 ATOM 6011 C CE1 . HIS C 1 220 ? -17.450 45.120 -42.229 1.00 21.97 ? 222 HIS C CE1 1 ATOM 6012 N NE2 . HIS C 1 220 ? -18.226 45.250 -43.291 1.00 23.08 ? 222 HIS C NE2 1 ATOM 6013 N N . VAL C 1 221 ? -19.422 39.564 -40.070 1.00 20.67 ? 223 VAL C N 1 ATOM 6014 C CA . VAL C 1 221 ? -20.028 38.766 -39.010 1.00 17.72 ? 223 VAL C CA 1 ATOM 6015 C C . VAL C 1 221 ? -20.199 39.658 -37.782 1.00 22.43 ? 223 VAL C C 1 ATOM 6016 O O . VAL C 1 221 ? -19.218 40.144 -37.227 1.00 21.23 ? 223 VAL C O 1 ATOM 6017 C CB . VAL C 1 221 ? -19.180 37.525 -38.650 1.00 19.18 ? 223 VAL C CB 1 ATOM 6018 C CG1 . VAL C 1 221 ? -19.725 36.838 -37.399 1.00 17.81 ? 223 VAL C CG1 1 ATOM 6019 C CG2 . VAL C 1 221 ? -19.110 36.551 -39.837 1.00 18.14 ? 223 VAL C CG2 1 ATOM 6020 N N . VAL C 1 222 ? -21.446 39.884 -37.375 1.00 23.15 ? 224 VAL C N 1 ATOM 6021 C CA . VAL C 1 222 ? -21.749 40.734 -36.226 1.00 22.11 ? 224 VAL C CA 1 ATOM 6022 C C . VAL C 1 222 ? -22.622 39.986 -35.238 1.00 24.13 ? 224 VAL C C 1 ATOM 6023 O O . VAL C 1 222 ? -23.241 38.986 -35.587 1.00 23.02 ? 224 VAL C O 1 ATOM 6024 C CB . VAL C 1 222 ? -22.498 42.029 -36.633 1.00 23.34 ? 224 VAL C CB 1 ATOM 6025 C CG1 . VAL C 1 222 ? -21.558 43.040 -37.234 1.00 23.17 ? 224 VAL C CG1 1 ATOM 6026 C CG2 . VAL C 1 222 ? -23.622 41.700 -37.595 1.00 23.72 ? 224 VAL C CG2 1 ATOM 6027 N N . GLN C 1 223 ? -22.681 40.483 -34.008 1.00 19.38 ? 225 GLN C N 1 ATOM 6028 C CA . GLN C 1 223 ? -23.644 39.982 -33.044 1.00 21.82 ? 225 GLN C CA 1 ATOM 6029 C C . GLN C 1 223 ? -24.764 40.988 -32.855 1.00 24.26 ? 225 GLN C C 1 ATOM 6030 O O . GLN C 1 223 ? -24.527 42.197 -32.786 1.00 24.26 ? 225 GLN C O 1 ATOM 6031 C CB . GLN C 1 223 ? -22.990 39.685 -31.693 1.00 19.69 ? 225 GLN C CB 1 ATOM 6032 C CG . GLN C 1 223 ? -22.025 38.530 -31.710 1.00 19.94 ? 225 GLN C CG 1 ATOM 6033 C CD . GLN C 1 223 ? -20.698 38.902 -32.330 1.00 17.28 ? 225 GLN C CD 1 ATOM 6034 O OE1 . GLN C 1 223 ? -20.100 39.923 -31.986 1.00 17.03 ? 225 GLN C OE1 1 ATOM 6035 N NE2 . GLN C 1 223 ? -20.232 38.076 -33.252 1.00 17.06 ? 225 GLN C NE2 1 ATOM 6036 N N . LEU C 1 224 ? -25.985 40.480 -32.761 1.00 26.49 ? 226 LEU C N 1 ATOM 6037 C CA . LEU C 1 224 ? -27.139 41.325 -32.515 1.00 25.99 ? 226 LEU C CA 1 ATOM 6038 C C . LEU C 1 224 ? -27.714 40.995 -31.147 1.00 28.89 ? 226 LEU C C 1 ATOM 6039 O O . LEU C 1 224 ? -28.708 40.277 -31.028 1.00 31.96 ? 226 LEU C O 1 ATOM 6040 C CB . LEU C 1 224 ? -28.179 41.138 -33.618 1.00 28.75 ? 226 LEU C CB 1 ATOM 6041 C CG . LEU C 1 224 ? -27.661 41.367 -35.041 1.00 33.95 ? 226 LEU C CG 1 ATOM 6042 C CD1 . LEU C 1 224 ? -28.782 41.224 -36.072 1.00 34.30 ? 226 LEU C CD1 1 ATOM 6043 C CD2 . LEU C 1 224 ? -26.978 42.735 -35.157 1.00 32.88 ? 226 LEU C CD2 1 ATOM 6044 N N . CYS C 1 225 ? -27.070 41.508 -30.107 1.00 28.50 ? 227 CYS C N 1 ATOM 6045 C CA . CYS C 1 225 ? -27.400 41.103 -28.749 1.00 27.95 ? 227 CYS C CA 1 ATOM 6046 C C . CYS C 1 225 ? -28.698 41.751 -28.261 1.00 31.52 ? 227 CYS C C 1 ATOM 6047 O O . CYS C 1 225 ? -29.160 42.747 -28.815 1.00 29.66 ? 227 CYS C O 1 ATOM 6048 C CB . CYS C 1 225 ? -26.244 41.436 -27.793 1.00 25.83 ? 227 CYS C CB 1 ATOM 6049 S SG . CYS C 1 225 ? -24.630 40.645 -28.176 1.00 27.52 ? 227 CYS C SG 1 ATOM 6050 N N . TYR C 1 226 ? -29.282 41.155 -27.223 1.00 35.10 ? 228 TYR C N 1 ATOM 6051 C CA . TYR C 1 226 ? -30.472 41.679 -26.558 1.00 26.62 ? 228 TYR C CA 1 ATOM 6052 C C . TYR C 1 226 ? -30.506 41.126 -25.139 1.00 30.50 ? 228 TYR C C 1 ATOM 6053 O O . TYR C 1 226 ? -29.990 40.037 -24.882 1.00 30.41 ? 228 TYR C O 1 ATOM 6054 C CB . TYR C 1 226 ? -31.743 41.303 -27.322 1.00 26.69 ? 228 TYR C CB 1 ATOM 6055 C CG . TYR C 1 226 ? -31.801 39.845 -27.708 1.00 27.83 ? 228 TYR C CG 1 ATOM 6056 C CD1 . TYR C 1 226 ? -32.267 38.887 -26.814 1.00 28.39 ? 228 TYR C CD1 1 ATOM 6057 C CD2 . TYR C 1 226 ? -31.385 39.424 -28.965 1.00 29.56 ? 228 TYR C CD2 1 ATOM 6058 C CE1 . TYR C 1 226 ? -32.315 37.555 -27.158 1.00 25.90 ? 228 TYR C CE1 1 ATOM 6059 C CE2 . TYR C 1 226 ? -31.427 38.089 -29.320 1.00 27.42 ? 228 TYR C CE2 1 ATOM 6060 C CZ . TYR C 1 226 ? -31.892 37.158 -28.409 1.00 26.88 ? 228 TYR C CZ 1 ATOM 6061 O OH . TYR C 1 226 ? -31.941 35.828 -28.755 1.00 28.20 ? 228 TYR C OH 1 ATOM 6062 N N . PHE C 1 227 ? -31.086 41.879 -24.211 1.00 34.92 ? 229 PHE C N 1 ATOM 6063 C CA . PHE C 1 227 ? -31.241 41.387 -22.844 1.00 33.48 ? 229 PHE C CA 1 ATOM 6064 C C . PHE C 1 227 ? -32.455 40.469 -22.762 1.00 34.72 ? 229 PHE C C 1 ATOM 6065 O O . PHE C 1 227 ? -33.440 40.663 -23.475 1.00 32.95 ? 229 PHE C O 1 ATOM 6066 C CB . PHE C 1 227 ? -31.387 42.540 -21.850 1.00 36.83 ? 229 PHE C CB 1 ATOM 6067 C CG . PHE C 1 227 ? -30.139 43.361 -21.670 1.00 34.91 ? 229 PHE C CG 1 ATOM 6068 C CD1 . PHE C 1 227 ? -29.046 42.850 -20.989 1.00 32.61 ? 229 PHE C CD1 1 ATOM 6069 C CD2 . PHE C 1 227 ? -30.072 44.653 -22.153 1.00 35.82 ? 229 PHE C CD2 1 ATOM 6070 C CE1 . PHE C 1 227 ? -27.904 43.609 -20.806 1.00 33.11 ? 229 PHE C CE1 1 ATOM 6071 C CE2 . PHE C 1 227 ? -28.930 45.420 -21.974 1.00 38.99 ? 229 PHE C CE2 1 ATOM 6072 C CZ . PHE C 1 227 ? -27.845 44.898 -21.299 1.00 33.74 ? 229 PHE C CZ 1 ATOM 6073 N N . VAL C 1 228 ? -32.372 39.462 -21.899 1.00 36.14 ? 230 VAL C N 1 ATOM 6074 C CA . VAL C 1 228 ? -33.478 38.536 -21.673 1.00 36.45 ? 230 VAL C CA 1 ATOM 6075 C C . VAL C 1 228 ? -33.977 38.662 -20.233 1.00 32.71 ? 230 VAL C C 1 ATOM 6076 O O . VAL C 1 228 ? -33.213 38.462 -19.287 1.00 33.83 ? 230 VAL C O 1 ATOM 6077 C CB . VAL C 1 228 ? -33.057 37.071 -21.965 1.00 30.78 ? 230 VAL C CB 1 ATOM 6078 C CG1 . VAL C 1 228 ? -34.224 36.120 -21.778 1.00 32.61 ? 230 VAL C CG1 1 ATOM 6079 C CG2 . VAL C 1 228 ? -32.530 36.949 -23.374 1.00 30.20 ? 230 VAL C CG2 1 ATOM 6080 N N . TYR C 1 229 ? -35.252 39.003 -20.067 1.00 31.65 ? 231 TYR C N 1 ATOM 6081 C CA . TYR C 1 229 ? -35.834 39.140 -18.729 1.00 34.94 ? 231 TYR C CA 1 ATOM 6082 C C . TYR C 1 229 ? -36.821 38.022 -18.397 1.00 35.61 ? 231 TYR C C 1 ATOM 6083 O O . TYR C 1 229 ? -37.419 37.426 -19.285 1.00 31.99 ? 231 TYR C O 1 ATOM 6084 C CB . TYR C 1 229 ? -36.516 40.504 -18.573 1.00 30.38 ? 231 TYR C CB 1 ATOM 6085 C CG . TYR C 1 229 ? -35.530 41.617 -18.338 1.00 32.19 ? 231 TYR C CG 1 ATOM 6086 C CD1 . TYR C 1 229 ? -35.088 41.913 -17.057 1.00 33.77 ? 231 TYR C CD1 1 ATOM 6087 C CD2 . TYR C 1 229 ? -35.021 42.359 -19.397 1.00 31.23 ? 231 TYR C CD2 1 ATOM 6088 C CE1 . TYR C 1 229 ? -34.173 42.919 -16.832 1.00 33.39 ? 231 TYR C CE1 1 ATOM 6089 C CE2 . TYR C 1 229 ? -34.107 43.370 -19.184 1.00 31.17 ? 231 TYR C CE2 1 ATOM 6090 C CZ . TYR C 1 229 ? -33.685 43.648 -17.898 1.00 32.85 ? 231 TYR C CZ 1 ATOM 6091 O OH . TYR C 1 229 ? -32.771 44.655 -17.672 1.00 28.74 ? 231 TYR C OH 1 ATOM 6092 N N . GLU C 1 230 ? -36.963 37.743 -17.104 1.00 47.14 ? 232 GLU C N 1 ATOM 6093 C CA . GLU C 1 230 ? -37.867 36.708 -16.614 1.00 50.55 ? 232 GLU C CA 1 ATOM 6094 C C . GLU C 1 230 ? -39.324 37.004 -16.981 1.00 48.76 ? 232 GLU C C 1 ATOM 6095 O O . GLU C 1 230 ? -40.049 36.121 -17.457 1.00 48.41 ? 232 GLU C O 1 ATOM 6096 C CB . GLU C 1 230 ? -37.719 36.565 -15.095 1.00 57.34 ? 232 GLU C CB 1 ATOM 6097 C CG . GLU C 1 230 ? -38.512 35.419 -14.494 1.00 60.56 ? 232 GLU C CG 1 ATOM 6098 C CD . GLU C 1 230 ? -38.456 35.408 -12.979 1.00 64.04 ? 232 GLU C CD 1 ATOM 6099 O OE1 . GLU C 1 230 ? -37.782 36.286 -12.397 1.00 67.42 ? 232 GLU C OE1 1 ATOM 6100 O OE2 . GLU C 1 230 ? -39.076 34.512 -12.371 1.00 70.05 ? 232 GLU C OE2 1 ATOM 6101 N N . ASN C 1 231 ? -39.740 38.245 -16.730 1.00 40.24 ? 233 ASN C N 1 ATOM 6102 C CA . ASN C 1 231 ? -41.084 38.731 -17.048 1.00 46.76 ? 233 ASN C CA 1 ATOM 6103 C C . ASN C 1 231 ? -41.141 40.252 -16.995 1.00 41.64 ? 233 ASN C C 1 ATOM 6104 O O . ASN C 1 231 ? -40.164 40.910 -16.626 1.00 39.41 ? 233 ASN C O 1 ATOM 6105 C CB . ASN C 1 231 ? -42.124 38.139 -16.096 1.00 45.24 ? 233 ASN C CB 1 ATOM 6106 C CG . ASN C 1 231 ? -41.724 38.262 -14.642 1.00 44.15 ? 233 ASN C CG 1 ATOM 6107 O OD1 . ASN C 1 231 ? -41.298 39.317 -14.191 1.00 41.75 ? 233 ASN C OD1 1 ATOM 6108 N ND2 . ASN C 1 231 ? -41.846 37.168 -13.904 1.00 41.48 ? 233 ASN C ND2 1 ATOM 6109 N N . PHE C 1 235 ? -39.030 42.996 -15.288 1.00 45.76 ? 237 PHE C N 1 ATOM 6110 C CA . PHE C 1 235 ? -38.392 44.066 -16.049 1.00 40.57 ? 237 PHE C CA 1 ATOM 6111 C C . PHE C 1 235 ? -38.738 45.438 -15.498 1.00 45.14 ? 237 PHE C C 1 ATOM 6112 O O . PHE C 1 235 ? -37.982 46.395 -15.687 1.00 41.19 ? 237 PHE C O 1 ATOM 6113 C CB . PHE C 1 235 ? -38.784 44.014 -17.523 1.00 36.05 ? 237 PHE C CB 1 ATOM 6114 C CG . PHE C 1 235 ? -38.370 45.245 -18.301 1.00 38.68 ? 237 PHE C CG 1 ATOM 6115 C CD1 . PHE C 1 235 ? -39.320 46.156 -18.750 1.00 39.34 ? 237 PHE C CD1 1 ATOM 6116 C CD2 . PHE C 1 235 ? -37.027 45.508 -18.562 1.00 35.50 ? 237 PHE C CD2 1 ATOM 6117 C CE1 . PHE C 1 235 ? -38.943 47.303 -19.465 1.00 40.50 ? 237 PHE C CE1 1 ATOM 6118 C CE2 . PHE C 1 235 ? -36.642 46.656 -19.269 1.00 37.02 ? 237 PHE C CE2 1 ATOM 6119 C CZ . PHE C 1 235 ? -37.607 47.551 -19.723 1.00 40.38 ? 237 PHE C CZ 1 ATOM 6120 N N . ASN C 1 236 ? -39.890 45.547 -14.843 1.00 44.06 ? 238 ASN C N 1 ATOM 6121 C CA . ASN C 1 236 ? -40.365 46.847 -14.383 1.00 42.84 ? 238 ASN C CA 1 ATOM 6122 C C . ASN C 1 236 ? -39.623 47.361 -13.156 1.00 45.84 ? 238 ASN C C 1 ATOM 6123 O O . ASN C 1 236 ? -39.972 48.405 -12.615 1.00 51.24 ? 238 ASN C O 1 ATOM 6124 C CB . ASN C 1 236 ? -41.864 46.799 -14.100 1.00 44.90 ? 238 ASN C CB 1 ATOM 6125 C CG . ASN C 1 236 ? -42.684 46.639 -15.361 1.00 42.23 ? 238 ASN C CG 1 ATOM 6126 O OD1 . ASN C 1 236 ? -43.715 45.970 -15.362 1.00 50.59 ? 238 ASN C OD1 1 ATOM 6127 N ND2 . ASN C 1 236 ? -42.222 47.244 -16.449 1.00 40.00 ? 238 ASN C ND2 1 ATOM 6128 N N . THR C 1 237 ? -38.597 46.632 -12.729 1.00 53.22 ? 239 THR C N 1 ATOM 6129 C CA . THR C 1 237 ? -37.689 47.111 -11.691 1.00 48.43 ? 239 THR C CA 1 ATOM 6130 C C . THR C 1 237 ? -36.670 48.072 -12.316 1.00 50.28 ? 239 THR C C 1 ATOM 6131 O O . THR C 1 237 ? -36.061 48.896 -11.630 1.00 55.77 ? 239 THR C O 1 ATOM 6132 C CB . THR C 1 237 ? -36.972 45.924 -10.985 1.00 55.97 ? 239 THR C CB 1 ATOM 6133 O OG1 . THR C 1 237 ? -37.944 45.096 -10.333 1.00 52.96 ? 239 THR C OG1 1 ATOM 6134 C CG2 . THR C 1 237 ? -35.955 46.400 -9.954 1.00 49.52 ? 239 THR C CG2 1 ATOM 6135 N N . PHE C 1 238 ? -36.512 47.983 -13.633 1.00 47.54 ? 240 PHE C N 1 ATOM 6136 C CA . PHE C 1 238 ? -35.516 48.788 -14.339 1.00 44.62 ? 240 PHE C CA 1 ATOM 6137 C C . PHE C 1 238 ? -36.156 49.744 -15.341 1.00 42.59 ? 240 PHE C C 1 ATOM 6138 O O . PHE C 1 238 ? -35.773 50.910 -15.431 1.00 41.77 ? 240 PHE C O 1 ATOM 6139 C CB . PHE C 1 238 ? -34.514 47.876 -15.048 1.00 38.67 ? 240 PHE C CB 1 ATOM 6140 C CG . PHE C 1 238 ? -33.912 46.842 -14.151 1.00 37.92 ? 240 PHE C CG 1 ATOM 6141 C CD1 . PHE C 1 238 ? -32.776 47.127 -13.416 1.00 39.79 ? 240 PHE C CD1 1 ATOM 6142 C CD2 . PHE C 1 238 ? -34.490 45.589 -14.026 1.00 40.39 ? 240 PHE C CD2 1 ATOM 6143 C CE1 . PHE C 1 238 ? -32.218 46.179 -12.578 1.00 43.73 ? 240 PHE C CE1 1 ATOM 6144 C CE2 . PHE C 1 238 ? -33.942 44.639 -13.184 1.00 41.19 ? 240 PHE C CE2 1 ATOM 6145 C CZ . PHE C 1 238 ? -32.806 44.935 -12.458 1.00 38.36 ? 240 PHE C CZ 1 ATOM 6146 N N . GLY C 1 239 ? -37.138 49.251 -16.087 1.00 44.91 ? 241 GLY C N 1 ATOM 6147 C CA . GLY C 1 239 ? -37.786 50.063 -17.099 1.00 46.53 ? 241 GLY C CA 1 ATOM 6148 C C . GLY C 1 239 ? -39.299 49.969 -17.083 1.00 51.08 ? 241 GLY C C 1 ATOM 6149 O O . GLY C 1 239 ? -39.873 48.984 -16.613 1.00 50.15 ? 241 GLY C O 1 ATOM 6150 N N . CYS C 1 240 ? -39.947 51.008 -17.599 1.00 52.98 ? 242 CYS C N 1 ATOM 6151 C CA . CYS C 1 240 ? -41.396 51.022 -17.718 1.00 52.51 ? 242 CYS C CA 1 ATOM 6152 C C . CYS C 1 240 ? -41.798 50.329 -19.007 1.00 49.00 ? 242 CYS C C 1 ATOM 6153 O O . CYS C 1 240 ? -40.987 50.193 -19.924 1.00 47.22 ? 242 CYS C O 1 ATOM 6154 C CB . CYS C 1 240 ? -41.933 52.455 -17.690 1.00 58.85 ? 242 CYS C CB 1 ATOM 6155 S SG . CYS C 1 240 ? -41.490 53.409 -16.208 1.00 67.89 ? 242 CYS C SG 1 ATOM 6156 N N . GLY C 1 241 ? -43.051 49.900 -19.079 1.00 43.06 ? 243 GLY C N 1 ATOM 6157 C CA . GLY C 1 241 ? -43.535 49.177 -20.240 1.00 38.20 ? 243 GLY C CA 1 ATOM 6158 C C . GLY C 1 241 ? -42.914 47.798 -20.293 1.00 37.19 ? 243 GLY C C 1 ATOM 6159 O O . GLY C 1 241 ? -42.622 47.202 -19.257 1.00 34.06 ? 243 GLY C O 1 ATOM 6160 N N . ASP C 1 242 ? -42.709 47.292 -21.502 1.00 40.83 ? 244 ASP C N 1 ATOM 6161 C CA . ASP C 1 242 ? -42.040 46.012 -21.693 1.00 40.67 ? 244 ASP C CA 1 ATOM 6162 C C . ASP C 1 242 ? -40.650 46.230 -22.244 1.00 40.33 ? 244 ASP C C 1 ATOM 6163 O O . ASP C 1 242 ? -40.387 47.256 -22.877 1.00 40.56 ? 244 ASP C O 1 ATOM 6164 C CB . ASP C 1 242 ? -42.826 45.118 -22.646 1.00 38.89 ? 244 ASP C CB 1 ATOM 6165 C CG . ASP C 1 242 ? -43.998 44.439 -21.979 1.00 43.62 ? 244 ASP C CG 1 ATOM 6166 O OD1 . ASP C 1 242 ? -45.109 44.505 -22.540 1.00 43.09 ? 244 ASP C OD1 1 ATOM 6167 O OD2 . ASP C 1 242 ? -43.809 43.837 -20.901 1.00 45.90 ? 244 ASP C OD2 1 ATOM 6168 N N . TYR C 1 243 ? -39.764 45.262 -22.022 1.00 44.08 ? 245 TYR C N 1 ATOM 6169 C CA . TYR C 1 243 ? -38.451 45.299 -22.660 1.00 44.65 ? 245 TYR C CA 1 ATOM 6170 C C . TYR C 1 243 ? -38.569 45.079 -24.170 1.00 39.78 ? 245 TYR C C 1 ATOM 6171 O O . TYR C 1 243 ? -39.367 44.263 -24.626 1.00 38.71 ? 245 TYR C O 1 ATOM 6172 C CB . TYR C 1 243 ? -37.502 44.247 -22.069 1.00 39.95 ? 245 TYR C CB 1 ATOM 6173 C CG . TYR C 1 243 ? -36.164 44.225 -22.784 1.00 41.16 ? 245 TYR C CG 1 ATOM 6174 C CD1 . TYR C 1 243 ? -35.147 45.089 -22.410 1.00 37.66 ? 245 TYR C CD1 1 ATOM 6175 C CD2 . TYR C 1 243 ? -35.931 43.365 -23.860 1.00 42.44 ? 245 TYR C CD2 1 ATOM 6176 C CE1 . TYR C 1 243 ? -33.934 45.097 -23.070 1.00 41.87 ? 245 TYR C CE1 1 ATOM 6177 C CE2 . TYR C 1 243 ? -34.717 43.368 -24.531 1.00 39.72 ? 245 TYR C CE2 1 ATOM 6178 C CZ . TYR C 1 243 ? -33.722 44.236 -24.128 1.00 40.09 ? 245 TYR C CZ 1 ATOM 6179 O OH . TYR C 1 243 ? -32.511 44.250 -24.776 1.00 36.05 ? 245 TYR C OH 1 ATOM 6180 N N . TYR C 1 244 ? -37.764 45.804 -24.937 1.00 28.03 ? 246 TYR C N 1 ATOM 6181 C CA . TYR C 1 244 ? -37.595 45.491 -26.355 1.00 37.22 ? 246 TYR C CA 1 ATOM 6182 C C . TYR C 1 244 ? -36.275 46.055 -26.876 1.00 33.78 ? 246 TYR C C 1 ATOM 6183 O O . TYR C 1 244 ? -35.789 47.076 -26.388 1.00 29.97 ? 246 TYR C O 1 ATOM 6184 C CB . TYR C 1 244 ? -38.774 46.017 -27.192 1.00 32.70 ? 246 TYR C CB 1 ATOM 6185 C CG . TYR C 1 244 ? -38.908 47.522 -27.232 1.00 31.98 ? 246 TYR C CG 1 ATOM 6186 C CD1 . TYR C 1 244 ? -38.500 48.248 -28.345 1.00 33.39 ? 246 TYR C CD1 1 ATOM 6187 C CD2 . TYR C 1 244 ? -39.449 48.217 -26.163 1.00 33.82 ? 246 TYR C CD2 1 ATOM 6188 C CE1 . TYR C 1 244 ? -38.620 49.625 -28.384 1.00 34.97 ? 246 TYR C CE1 1 ATOM 6189 C CE2 . TYR C 1 244 ? -39.574 49.591 -26.193 1.00 34.31 ? 246 TYR C CE2 1 ATOM 6190 C CZ . TYR C 1 244 ? -39.160 50.289 -27.303 1.00 33.82 ? 246 TYR C CZ 1 ATOM 6191 O OH . TYR C 1 244 ? -39.280 51.654 -27.326 1.00 26.19 ? 246 TYR C OH 1 ATOM 6192 N N . GLN C 1 245 ? -35.692 45.360 -27.849 1.00 34.41 ? 247 GLN C N 1 ATOM 6193 C CA . GLN C 1 245 ? -34.506 45.834 -28.564 1.00 36.04 ? 247 GLN C CA 1 ATOM 6194 C C . GLN C 1 245 ? -34.577 45.301 -29.991 1.00 33.16 ? 247 GLN C C 1 ATOM 6195 O O . GLN C 1 245 ? -34.438 44.101 -30.216 1.00 34.12 ? 247 GLN C O 1 ATOM 6196 C CB . GLN C 1 245 ? -33.212 45.385 -27.863 1.00 35.93 ? 247 GLN C CB 1 ATOM 6197 C CG . GLN C 1 245 ? -31.966 45.368 -28.757 1.00 33.67 ? 247 GLN C CG 1 ATOM 6198 C CD . GLN C 1 245 ? -30.920 46.412 -28.381 1.00 32.87 ? 247 GLN C CD 1 ATOM 6199 O OE1 . GLN C 1 245 ? -30.957 46.996 -27.296 1.00 33.20 ? 247 GLN C OE1 1 ATOM 6200 N NE2 . GLN C 1 245 ? -29.971 46.643 -29.284 1.00 30.68 ? 247 GLN C NE2 1 ATOM 6201 N N . ASN C 1 246 ? -34.825 46.188 -30.948 1.00 27.37 ? 248 ASN C N 1 ATOM 6202 C CA . ASN C 1 246 ? -34.995 45.779 -32.337 1.00 32.39 ? 248 ASN C CA 1 ATOM 6203 C C . ASN C 1 246 ? -33.916 46.336 -33.269 1.00 34.42 ? 248 ASN C C 1 ATOM 6204 O O . ASN C 1 246 ? -33.511 47.495 -33.143 1.00 30.65 ? 248 ASN C O 1 ATOM 6205 C CB . ASN C 1 246 ? -36.375 46.207 -32.851 1.00 33.02 ? 248 ASN C CB 1 ATOM 6206 C CG . ASN C 1 246 ? -37.506 45.391 -32.250 1.00 38.37 ? 248 ASN C CG 1 ATOM 6207 O OD1 . ASN C 1 246 ? -37.425 44.166 -32.152 1.00 39.93 ? 248 ASN C OD1 1 ATOM 6208 N ND2 . ASN C 1 246 ? -38.569 46.075 -31.834 1.00 33.69 ? 248 ASN C ND2 1 ATOM 6209 N N . TYR C 1 247 ? -33.476 45.505 -34.212 1.00 26.50 ? 249 TYR C N 1 ATOM 6210 C CA . TYR C 1 247 ? -32.484 45.899 -35.204 1.00 29.32 ? 249 TYR C CA 1 ATOM 6211 C C . TYR C 1 247 ? -33.122 46.020 -36.587 1.00 31.34 ? 249 TYR C C 1 ATOM 6212 O O . TYR C 1 247 ? -33.890 45.150 -36.987 1.00 32.63 ? 249 TYR C O 1 ATOM 6213 C CB . TYR C 1 247 ? -31.338 44.884 -35.249 1.00 26.04 ? 249 TYR C CB 1 ATOM 6214 C CG . TYR C 1 247 ? -30.550 44.756 -33.966 1.00 30.19 ? 249 TYR C CG 1 ATOM 6215 C CD1 . TYR C 1 247 ? -29.297 45.345 -33.839 1.00 31.89 ? 249 TYR C CD1 1 ATOM 6216 C CD2 . TYR C 1 247 ? -31.045 44.030 -32.888 1.00 29.42 ? 249 TYR C CD2 1 ATOM 6217 C CE1 . TYR C 1 247 ? -28.567 45.226 -32.672 1.00 29.53 ? 249 TYR C CE1 1 ATOM 6218 C CE2 . TYR C 1 247 ? -30.324 43.908 -31.718 1.00 26.38 ? 249 TYR C CE2 1 ATOM 6219 C CZ . TYR C 1 247 ? -29.087 44.504 -31.615 1.00 29.11 ? 249 TYR C CZ 1 ATOM 6220 O OH . TYR C 1 247 ? -28.367 44.385 -30.451 1.00 28.33 ? 249 TYR C OH 1 ATOM 6221 N N . TYR C 1 248 ? -32.797 47.083 -37.322 1.00 34.27 ? 250 TYR C N 1 ATOM 6222 C CA . TYR C 1 248 ? -33.366 47.285 -38.656 1.00 38.07 ? 250 TYR C CA 1 ATOM 6223 C C . TYR C 1 248 ? -32.302 47.563 -39.721 1.00 34.94 ? 250 TYR C C 1 ATOM 6224 O O . TYR C 1 248 ? -31.299 48.223 -39.446 1.00 36.45 ? 250 TYR C O 1 ATOM 6225 C CB . TYR C 1 248 ? -34.373 48.446 -38.645 1.00 37.63 ? 250 TYR C CB 1 ATOM 6226 C CG . TYR C 1 248 ? -35.482 48.335 -37.617 1.00 39.18 ? 250 TYR C CG 1 ATOM 6227 C CD1 . TYR C 1 248 ? -36.706 47.749 -37.934 1.00 40.99 ? 250 TYR C CD1 1 ATOM 6228 C CD2 . TYR C 1 248 ? -35.311 48.834 -36.334 1.00 39.00 ? 250 TYR C CD2 1 ATOM 6229 C CE1 . TYR C 1 248 ? -37.722 47.657 -36.992 1.00 36.57 ? 250 TYR C CE1 1 ATOM 6230 C CE2 . TYR C 1 248 ? -36.318 48.750 -35.390 1.00 42.94 ? 250 TYR C CE2 1 ATOM 6231 C CZ . TYR C 1 248 ? -37.519 48.161 -35.718 1.00 44.10 ? 250 TYR C CZ 1 ATOM 6232 O OH . TYR C 1 248 ? -38.508 48.087 -34.757 1.00 41.98 ? 250 TYR C OH 1 ATOM 6233 N N . ASP C 1 249 ? -32.524 47.082 -40.941 1.00 38.45 ? 251 ASP C N 1 ATOM 6234 C CA . ASP C 1 249 ? -31.657 47.488 -42.050 1.00 43.57 ? 251 ASP C CA 1 ATOM 6235 C C . ASP C 1 249 ? -32.068 48.867 -42.579 1.00 43.12 ? 251 ASP C C 1 ATOM 6236 O O . ASP C 1 249 ? -32.902 49.555 -41.977 1.00 39.49 ? 251 ASP C O 1 ATOM 6237 C CB . ASP C 1 249 ? -31.650 46.451 -43.186 1.00 43.39 ? 251 ASP C CB 1 ATOM 6238 C CG . ASP C 1 249 ? -33.025 46.224 -43.816 1.00 47.16 ? 251 ASP C CG 1 ATOM 6239 O OD1 . ASP C 1 249 ? -33.939 47.068 -43.667 1.00 43.52 ? 251 ASP C OD1 1 ATOM 6240 O OD2 . ASP C 1 249 ? -33.178 45.179 -44.489 1.00 45.99 ? 251 ASP C OD2 1 ATOM 6241 N N . GLY C 1 250 ? -31.474 49.264 -43.698 1.00 39.68 ? 252 GLY C N 1 ATOM 6242 C CA . GLY C 1 250 ? -31.724 50.577 -44.267 1.00 48.38 ? 252 GLY C CA 1 ATOM 6243 C C . GLY C 1 250 ? -33.161 50.778 -44.714 1.00 51.34 ? 252 GLY C C 1 ATOM 6244 O O . GLY C 1 250 ? -33.705 51.880 -44.610 1.00 47.61 ? 252 GLY C O 1 ATOM 6245 N N . ASN C 1 251 ? -33.779 49.700 -45.194 1.00 50.90 ? 253 ASN C N 1 ATOM 6246 C CA . ASN C 1 251 ? -35.136 49.749 -45.724 1.00 47.74 ? 253 ASN C CA 1 ATOM 6247 C C . ASN C 1 251 ? -36.213 49.746 -44.645 1.00 51.79 ? 253 ASN C C 1 ATOM 6248 O O . ASN C 1 251 ? -37.379 50.044 -44.919 1.00 56.98 ? 253 ASN C O 1 ATOM 6249 C CB . ASN C 1 251 ? -35.357 48.576 -46.674 1.00 44.41 ? 253 ASN C CB 1 ATOM 6250 C CG . ASN C 1 251 ? -34.344 48.549 -47.797 1.00 46.11 ? 253 ASN C CG 1 ATOM 6251 O OD1 . ASN C 1 251 ? -33.768 49.579 -48.146 1.00 50.56 ? 253 ASN C OD1 1 ATOM 6252 N ND2 . ASN C 1 251 ? -34.123 47.375 -48.375 1.00 49.57 ? 253 ASN C ND2 1 ATOM 6253 N N . GLY C 1 252 ? -35.823 49.412 -43.419 1.00 41.38 ? 254 GLY C N 1 ATOM 6254 C CA . GLY C 1 252 ? -36.768 49.363 -42.320 1.00 42.11 ? 254 GLY C CA 1 ATOM 6255 C C . GLY C 1 252 ? -37.123 47.954 -41.890 1.00 40.10 ? 254 GLY C C 1 ATOM 6256 O O . GLY C 1 252 ? -37.934 47.766 -40.984 1.00 46.93 ? 254 GLY C O 1 ATOM 6257 N N . ASN C 1 253 ? -36.506 46.962 -42.525 1.00 44.85 ? 255 ASN C N 1 ATOM 6258 C CA . ASN C 1 253 ? -36.760 45.559 -42.197 1.00 45.48 ? 255 ASN C CA 1 ATOM 6259 C C . ASN C 1 253 ? -36.141 45.108 -40.876 1.00 46.97 ? 255 ASN C C 1 ATOM 6260 O O . ASN C 1 253 ? -34.967 45.374 -40.603 1.00 41.86 ? 255 ASN C O 1 ATOM 6261 C CB . ASN C 1 253 ? -36.243 44.662 -43.317 1.00 41.68 ? 255 ASN C CB 1 ATOM 6262 C CG . ASN C 1 253 ? -36.860 44.997 -44.653 1.00 49.19 ? 255 ASN C CG 1 ATOM 6263 O OD1 . ASN C 1 253 ? -38.075 45.174 -44.759 1.00 50.97 ? 255 ASN C OD1 1 ATOM 6264 N ND2 . ASN C 1 253 ? -36.024 45.112 -45.679 1.00 48.00 ? 255 ASN C ND2 1 ATOM 6265 N N . LEU C 1 254 ? -36.939 44.414 -40.069 1.00 41.15 ? 256 LEU C N 1 ATOM 6266 C CA . LEU C 1 254 ? -36.453 43.803 -38.836 1.00 40.89 ? 256 LEU C CA 1 ATOM 6267 C C . LEU C 1 254 ? -35.478 42.656 -39.142 1.00 41.18 ? 256 LEU C C 1 ATOM 6268 O O . LEU C 1 254 ? -35.785 41.781 -39.952 1.00 44.05 ? 256 LEU C O 1 ATOM 6269 C CB . LEU C 1 254 ? -37.631 43.292 -38.008 1.00 40.88 ? 256 LEU C CB 1 ATOM 6270 C CG . LEU C 1 254 ? -37.367 42.939 -36.547 1.00 40.02 ? 256 LEU C CG 1 ATOM 6271 C CD1 . LEU C 1 254 ? -37.186 44.202 -35.709 1.00 41.01 ? 256 LEU C CD1 1 ATOM 6272 C CD2 . LEU C 1 254 ? -38.486 42.073 -36.008 1.00 47.33 ? 256 LEU C CD2 1 ATOM 6273 N N . ILE C 1 255 ? -34.312 42.661 -38.498 1.00 27.47 ? 257 ILE C N 1 ATOM 6274 C CA . ILE C 1 255 ? -33.291 41.642 -38.759 1.00 34.36 ? 257 ILE C CA 1 ATOM 6275 C C . ILE C 1 255 ? -32.761 40.945 -37.501 1.00 31.04 ? 257 ILE C C 1 ATOM 6276 O O . ILE C 1 255 ? -31.960 40.018 -37.600 1.00 30.86 ? 257 ILE C O 1 ATOM 6277 C CB . ILE C 1 255 ? -32.078 42.235 -39.513 1.00 32.22 ? 257 ILE C CB 1 ATOM 6278 C CG1 . ILE C 1 255 ? -31.494 43.420 -38.736 1.00 28.21 ? 257 ILE C CG1 1 ATOM 6279 C CG2 . ILE C 1 255 ? -32.468 42.634 -40.932 1.00 28.55 ? 257 ILE C CG2 1 ATOM 6280 C CD1 . ILE C 1 255 ? -30.176 43.928 -39.292 1.00 28.79 ? 257 ILE C CD1 1 ATOM 6281 N N . GLY C 1 256 ? -33.202 41.386 -36.326 1.00 31.08 ? 258 GLY C N 1 ATOM 6282 C CA . GLY C 1 256 ? -32.777 40.758 -35.087 1.00 28.30 ? 258 GLY C CA 1 ATOM 6283 C C . GLY C 1 256 ? -33.330 41.413 -33.833 1.00 30.44 ? 258 GLY C C 1 ATOM 6284 O O . GLY C 1 256 ? -34.147 42.329 -33.900 1.00 31.95 ? 258 GLY C O 1 ATOM 6285 N N . GLY C 1 257 ? -32.877 40.937 -32.680 1.00 25.11 ? 259 GLY C N 1 ATOM 6286 C CA . GLY C 1 257 ? -33.299 41.495 -31.412 1.00 21.66 ? 259 GLY C CA 1 ATOM 6287 C C . GLY C 1 257 ? -34.382 40.687 -30.722 1.00 27.36 ? 259 GLY C C 1 ATOM 6288 O O . GLY C 1 257 ? -34.613 39.522 -31.048 1.00 27.27 ? 259 GLY C O 1 ATOM 6289 N N . MET C 1 258 ? -35.033 41.313 -29.747 1.00 39.14 ? 260 MET C N 1 ATOM 6290 C CA . MET C 1 258 ? -36.147 40.704 -29.039 1.00 39.43 ? 260 MET C CA 1 ATOM 6291 C C . MET C 1 258 ? -37.152 41.774 -28.625 1.00 44.10 ? 260 MET C C 1 ATOM 6292 O O . MET C 1 258 ? -36.810 42.726 -27.919 1.00 43.76 ? 260 MET C O 1 ATOM 6293 C CB . MET C 1 258 ? -35.672 39.936 -27.810 1.00 38.86 ? 260 MET C CB 1 ATOM 6294 C CG . MET C 1 258 ? -36.694 38.904 -27.320 1.00 46.90 ? 260 MET C CG 1 ATOM 6295 S SD . MET C 1 258 ? -36.414 38.404 -25.617 1.00 51.11 ? 260 MET C SD 1 ATOM 6296 C CE . MET C 1 258 ? -37.511 37.005 -25.470 1.00 57.04 ? 260 MET C CE 1 ATOM 6297 N N . ASP C 1 259 ? -38.392 41.597 -29.069 1.00 41.52 ? 261 ASP C N 1 ATOM 6298 C CA . ASP C 1 259 ? -39.475 42.543 -28.823 1.00 40.45 ? 261 ASP C CA 1 ATOM 6299 C C . ASP C 1 259 ? -40.523 41.924 -27.892 1.00 42.51 ? 261 ASP C C 1 ATOM 6300 O O . ASP C 1 259 ? -41.423 41.220 -28.355 1.00 42.61 ? 261 ASP C O 1 ATOM 6301 C CB . ASP C 1 259 ? -40.115 42.952 -30.158 1.00 41.14 ? 261 ASP C CB 1 ATOM 6302 C CG . ASP C 1 259 ? -40.958 44.212 -30.057 1.00 40.19 ? 261 ASP C CG 1 ATOM 6303 O OD1 . ASP C 1 259 ? -41.271 44.650 -28.933 1.00 39.43 ? 261 ASP C OD1 1 ATOM 6304 O OD2 . ASP C 1 259 ? -41.329 44.758 -31.118 1.00 45.23 ? 261 ASP C OD2 1 ATOM 6305 N N . ASN C 1 260 ? -40.415 42.184 -26.588 1.00 44.84 ? 262 ASN C N 1 ATOM 6306 C CA . ASN C 1 260 ? -41.372 41.622 -25.625 1.00 48.18 ? 262 ASN C CA 1 ATOM 6307 C C . ASN C 1 260 ? -42.694 42.387 -25.588 1.00 46.68 ? 262 ASN C C 1 ATOM 6308 O O . ASN C 1 260 ? -43.318 42.522 -24.538 1.00 41.69 ? 262 ASN C O 1 ATOM 6309 C CB . ASN C 1 260 ? -40.779 41.570 -24.212 1.00 46.96 ? 262 ASN C CB 1 ATOM 6310 C CG . ASN C 1 260 ? -39.692 40.516 -24.070 1.00 49.23 ? 262 ASN C CG 1 ATOM 6311 O OD1 . ASN C 1 260 ? -39.754 39.452 -24.690 1.00 47.96 ? 262 ASN C OD1 1 ATOM 6312 N ND2 . ASN C 1 260 ? -38.691 40.808 -23.246 1.00 44.85 ? 262 ASN C ND2 1 ATOM 6313 N N . ARG C 1 261 ? -43.111 42.889 -26.744 1.00 53.87 ? 263 ARG C N 1 ATOM 6314 C CA . ARG C 1 261 ? -44.449 43.433 -26.912 1.00 52.89 ? 263 ARG C CA 1 ATOM 6315 C C . ARG C 1 261 ? -45.176 42.550 -27.917 1.00 54.72 ? 263 ARG C C 1 ATOM 6316 O O . ARG C 1 261 ? -46.368 42.718 -28.167 1.00 64.23 ? 263 ARG C O 1 ATOM 6317 C CB . ARG C 1 261 ? -44.401 44.890 -27.384 1.00 44.82 ? 263 ARG C CB 1 ATOM 6318 C CG . ARG C 1 261 ? -43.648 45.831 -26.444 1.00 43.45 ? 263 ARG C CG 1 ATOM 6319 C CD . ARG C 1 261 ? -43.215 47.098 -27.179 1.00 42.60 ? 263 ARG C CD 1 ATOM 6320 N NE . ARG C 1 261 ? -42.733 46.784 -28.524 1.00 50.38 ? 263 ARG C NE 1 ATOM 6321 C CZ . ARG C 1 261 ? -42.081 47.630 -29.318 1.00 47.84 ? 263 ARG C CZ 1 ATOM 6322 N NH1 . ARG C 1 261 ? -41.820 48.862 -28.912 1.00 47.93 ? 263 ARG C NH1 1 ATOM 6323 N NH2 . ARG C 1 261 ? -41.689 47.242 -30.525 1.00 49.75 ? 263 ARG C NH2 1 ATOM 6324 N N . VAL C 1 262 ? -44.434 41.605 -28.490 1.00 60.71 ? 264 VAL C N 1 ATOM 6325 C CA . VAL C 1 262 ? -44.975 40.658 -29.460 1.00 60.15 ? 264 VAL C CA 1 ATOM 6326 C C . VAL C 1 262 ? -44.603 39.230 -29.069 1.00 57.14 ? 264 VAL C C 1 ATOM 6327 O O . VAL C 1 262 ? -45.269 38.273 -29.464 1.00 63.13 ? 264 VAL C O 1 ATOM 6328 C CB . VAL C 1 262 ? -44.455 40.946 -30.895 1.00 63.21 ? 264 VAL C CB 1 ATOM 6329 C CG1 . VAL C 1 262 ? -45.297 40.214 -31.940 1.00 59.95 ? 264 VAL C CG1 1 ATOM 6330 C CG2 . VAL C 1 262 ? -44.450 42.444 -31.177 1.00 60.40 ? 264 VAL C CG2 1 ATOM 6331 N N . ALA C 1 263 ? -43.536 39.095 -28.286 1.00 44.09 ? 265 ALA C N 1 ATOM 6332 C CA . ALA C 1 263 ? -42.988 37.783 -27.951 1.00 39.62 ? 265 ALA C CA 1 ATOM 6333 C C . ALA C 1 263 ? -42.882 37.570 -26.447 1.00 45.26 ? 265 ALA C C 1 ATOM 6334 O O . ALA C 1 263 ? -42.521 38.482 -25.702 1.00 44.38 ? 265 ALA C O 1 ATOM 6335 C CB . ALA C 1 263 ? -41.628 37.604 -28.597 1.00 43.31 ? 265 ALA C CB 1 ATOM 6336 N N . ALA C 1 264 ? -43.186 36.351 -26.014 1.00 63.15 ? 266 ALA C N 1 ATOM 6337 C CA . ALA C 1 264 ? -43.205 36.007 -24.597 1.00 63.46 ? 266 ALA C CA 1 ATOM 6338 C C . ALA C 1 264 ? -41.836 36.147 -23.944 1.00 61.39 ? 266 ALA C C 1 ATOM 6339 O O . ALA C 1 264 ? -40.809 35.952 -24.589 1.00 65.05 ? 266 ALA C O 1 ATOM 6340 C CB . ALA C 1 264 ? -43.724 34.586 -24.411 1.00 57.36 ? 266 ALA C CB 1 ATOM 6341 N N . TYR C 1 265 ? -41.831 36.498 -22.661 1.00 55.97 ? 267 TYR C N 1 ATOM 6342 C CA . TYR C 1 265 ? -40.619 36.430 -21.856 1.00 48.31 ? 267 TYR C CA 1 ATOM 6343 C C . TYR C 1 265 ? -40.219 34.973 -21.699 1.00 48.91 ? 267 TYR C C 1 ATOM 6344 O O . TYR C 1 265 ? -41.060 34.117 -21.417 1.00 51.48 ? 267 TYR C O 1 ATOM 6345 C CB . TYR C 1 265 ? -40.825 37.068 -20.481 1.00 47.92 ? 267 TYR C CB 1 ATOM 6346 C CG . TYR C 1 265 ? -41.034 38.562 -20.512 1.00 50.45 ? 267 TYR C CG 1 ATOM 6347 C CD1 . TYR C 1 265 ? -39.976 39.432 -20.287 1.00 50.82 ? 267 TYR C CD1 1 ATOM 6348 C CD2 . TYR C 1 265 ? -42.288 39.104 -20.759 1.00 48.03 ? 267 TYR C CD2 1 ATOM 6349 C CE1 . TYR C 1 265 ? -40.160 40.804 -20.308 1.00 52.12 ? 267 TYR C CE1 1 ATOM 6350 C CE2 . TYR C 1 265 ? -42.482 40.472 -20.783 1.00 51.10 ? 267 TYR C CE2 1 ATOM 6351 C CZ . TYR C 1 265 ? -41.414 41.317 -20.557 1.00 52.67 ? 267 TYR C CZ 1 ATOM 6352 O OH . TYR C 1 265 ? -41.595 42.679 -20.584 1.00 50.76 ? 267 TYR C OH 1 ATOM 6353 N N . ARG C 1 266 ? -38.936 34.690 -21.880 1.00 44.74 ? 268 ARG C N 1 ATOM 6354 C CA . ARG C 1 266 ? -38.447 33.322 -21.777 1.00 47.34 ? 268 ARG C CA 1 ATOM 6355 C C . ARG C 1 266 ? -37.145 33.266 -20.994 1.00 41.57 ? 268 ARG C C 1 ATOM 6356 O O . ARG C 1 266 ? -36.316 32.395 -21.217 1.00 44.25 ? 268 ARG C O 1 ATOM 6357 C CB . ARG C 1 266 ? -38.261 32.709 -23.165 1.00 43.48 ? 268 ARG C CB 1 ATOM 6358 C CG . ARG C 1 266 ? -37.347 33.494 -24.080 1.00 39.56 ? 268 ARG C CG 1 ATOM 6359 C CD . ARG C 1 266 ? -37.111 32.738 -25.367 1.00 39.54 ? 268 ARG C CD 1 ATOM 6360 N NE . ARG C 1 266 ? -36.154 33.426 -26.224 1.00 39.94 ? 268 ARG C NE 1 ATOM 6361 C CZ . ARG C 1 266 ? -34.840 33.261 -26.151 1.00 38.24 ? 268 ARG C CZ 1 ATOM 6362 N NH1 . ARG C 1 266 ? -34.322 32.431 -25.251 1.00 43.68 ? 268 ARG C NH1 1 ATOM 6363 N NH2 . ARG C 1 266 ? -34.045 33.930 -26.973 1.00 42.80 ? 268 ARG C NH2 1 ATOM 6364 N N . GLY C 1 267 ? -36.973 34.208 -20.074 1.00 49.01 ? 269 GLY C N 1 ATOM 6365 C CA . GLY C 1 267 ? -35.848 34.169 -19.161 1.00 46.51 ? 269 GLY C CA 1 ATOM 6366 C C . GLY C 1 267 ? -36.061 33.086 -18.121 1.00 58.82 ? 269 GLY C C 1 ATOM 6367 O O . GLY C 1 267 ? -37.040 33.137 -17.371 1.00 51.68 ? 269 GLY C O 1 ATOM 6368 N N . ILE C 1 268 ? -35.160 32.099 -18.101 1.00 65.78 ? 270 ILE C N 1 ATOM 6369 C CA . ILE C 1 268 ? -35.199 30.993 -17.140 1.00 61.29 ? 270 ILE C CA 1 ATOM 6370 C C . ILE C 1 268 ? -35.411 31.525 -15.723 1.00 64.59 ? 270 ILE C C 1 ATOM 6371 O O . ILE C 1 268 ? -34.702 32.425 -15.281 1.00 60.95 ? 270 ILE C O 1 ATOM 6372 C CB . ILE C 1 268 ? -33.905 30.139 -17.211 1.00 65.24 ? 270 ILE C CB 1 ATOM 6373 C CG1 . ILE C 1 268 ? -33.994 29.132 -18.366 1.00 66.58 ? 270 ILE C CG1 1 ATOM 6374 C CG2 . ILE C 1 268 ? -33.648 29.422 -15.893 1.00 64.01 ? 270 ILE C CG2 1 ATOM 6375 C CD1 . ILE C 1 268 ? -32.804 28.190 -18.478 1.00 59.02 ? 270 ILE C CD1 1 ATOM 6376 N N . ALA C 1 269 ? -36.406 30.969 -15.033 1.00 72.54 ? 271 ALA C N 1 ATOM 6377 C CA . ALA C 1 269 ? -36.956 31.549 -13.802 1.00 65.31 ? 271 ALA C CA 1 ATOM 6378 C C . ALA C 1 269 ? -35.921 31.914 -12.733 1.00 66.49 ? 271 ALA C C 1 ATOM 6379 O O . ALA C 1 269 ? -34.994 31.155 -12.453 1.00 66.99 ? 271 ALA C O 1 ATOM 6380 C CB . ALA C 1 269 ? -37.989 30.600 -13.212 1.00 66.61 ? 271 ALA C CB 1 ATOM 6381 N N . ASN C 1 270 ? -36.098 33.102 -12.157 1.00 70.53 ? 272 ASN C N 1 ATOM 6382 C CA . ASN C 1 270 ? -35.252 33.634 -11.084 1.00 71.26 ? 272 ASN C CA 1 ATOM 6383 C C . ASN C 1 270 ? -33.770 33.851 -11.429 1.00 71.03 ? 272 ASN C C 1 ATOM 6384 O O . ASN C 1 270 ? -33.016 34.373 -10.604 1.00 65.26 ? 272 ASN C O 1 ATOM 6385 C CB . ASN C 1 270 ? -35.348 32.731 -9.851 1.00 75.23 ? 272 ASN C CB 1 ATOM 6386 C CG . ASN C 1 270 ? -36.107 33.385 -8.711 1.00 76.04 ? 272 ASN C CG 1 ATOM 6387 O OD1 . ASN C 1 270 ? -36.057 34.603 -8.533 1.00 77.50 ? 272 ASN C OD1 1 ATOM 6388 N ND2 . ASN C 1 270 ? -36.816 32.577 -7.934 1.00 71.92 ? 272 ASN C ND2 1 ATOM 6389 N N . ALA C 1 271 ? -33.362 33.484 -12.643 1.00 68.36 ? 273 ALA C N 1 ATOM 6390 C CA . ALA C 1 271 ? -31.958 33.587 -13.053 1.00 64.11 ? 273 ALA C CA 1 ATOM 6391 C C . ALA C 1 271 ? -31.458 35.024 -13.141 1.00 60.03 ? 273 ALA C C 1 ATOM 6392 O O . ALA C 1 271 ? -30.253 35.262 -13.167 1.00 62.32 ? 273 ALA C O 1 ATOM 6393 C CB . ALA C 1 271 ? -31.752 32.896 -14.388 1.00 59.84 ? 273 ALA C CB 1 ATOM 6394 N N . GLY C 1 272 ? -32.379 35.979 -13.185 1.00 58.79 ? 274 GLY C N 1 ATOM 6395 C CA . GLY C 1 272 ? -32.013 37.368 -13.397 1.00 54.33 ? 274 GLY C CA 1 ATOM 6396 C C . GLY C 1 272 ? -31.880 37.681 -14.880 1.00 50.35 ? 274 GLY C C 1 ATOM 6397 O O . GLY C 1 272 ? -32.084 36.811 -15.731 1.00 50.92 ? 274 GLY C O 1 ATOM 6398 N N . VAL C 1 273 ? -31.538 38.925 -15.200 1.00 42.70 ? 275 VAL C N 1 ATOM 6399 C CA . VAL C 1 273 ? -31.399 39.311 -16.596 1.00 36.89 ? 275 VAL C CA 1 ATOM 6400 C C . VAL C 1 273 ? -30.172 38.647 -17.208 1.00 33.38 ? 275 VAL C C 1 ATOM 6401 O O . VAL C 1 273 ? -29.124 38.528 -16.572 1.00 36.02 ? 275 VAL C O 1 ATOM 6402 C CB . VAL C 1 273 ? -31.306 40.846 -16.774 1.00 37.53 ? 275 VAL C CB 1 ATOM 6403 C CG1 . VAL C 1 273 ? -30.057 41.408 -16.103 1.00 35.69 ? 275 VAL C CG1 1 ATOM 6404 C CG2 . VAL C 1 273 ? -31.345 41.222 -18.264 1.00 32.88 ? 275 VAL C CG2 1 ATOM 6405 N N . LYS C 1 274 ? -30.325 38.187 -18.441 1.00 33.76 ? 276 LYS C N 1 ATOM 6406 C CA . LYS C 1 274 ? -29.215 37.638 -19.194 1.00 30.50 ? 276 LYS C CA 1 ATOM 6407 C C . LYS C 1 274 ? -29.096 38.352 -20.529 1.00 35.89 ? 276 LYS C C 1 ATOM 6408 O O . LYS C 1 274 ? -29.988 39.106 -20.924 1.00 34.22 ? 276 LYS C O 1 ATOM 6409 C CB . LYS C 1 274 ? -29.393 36.138 -19.408 1.00 29.77 ? 276 LYS C CB 1 ATOM 6410 C CG . LYS C 1 274 ? -29.446 35.348 -18.111 1.00 31.55 ? 276 LYS C CG 1 ATOM 6411 C CD . LYS C 1 274 ? -28.118 35.417 -17.381 1.00 29.50 ? 276 LYS C CD 1 ATOM 6412 C CE . LYS C 1 274 ? -28.141 34.572 -16.115 1.00 34.16 ? 276 LYS C CE 1 ATOM 6413 N NZ . LYS C 1 274 ? -26.817 34.577 -15.430 1.00 29.43 ? 276 LYS C NZ 1 ATOM 6414 N N . ILE C 1 275 ? -27.979 38.123 -21.212 1.00 32.44 ? 277 ILE C N 1 ATOM 6415 C CA . ILE C 1 275 ? -27.782 38.648 -22.552 1.00 28.33 ? 277 ILE C CA 1 ATOM 6416 C C . ILE C 1 275 ? -27.613 37.473 -23.519 1.00 26.78 ? 277 ILE C C 1 ATOM 6417 O O . ILE C 1 275 ? -26.906 36.506 -23.222 1.00 28.48 ? 277 ILE C O 1 ATOM 6418 C CB . ILE C 1 275 ? -26.559 39.611 -22.606 1.00 27.23 ? 277 ILE C CB 1 ATOM 6419 C CG1 . ILE C 1 275 ? -26.511 40.370 -23.926 1.00 27.83 ? 277 ILE C CG1 1 ATOM 6420 C CG2 . ILE C 1 275 ? -25.229 38.879 -22.358 1.00 27.37 ? 277 ILE C CG2 1 ATOM 6421 C CD1 . ILE C 1 275 ? -25.459 41.476 -23.934 1.00 25.73 ? 277 ILE C CD1 1 ATOM 6422 N N . GLU C 1 276 ? -28.308 37.518 -24.648 1.00 27.38 ? 278 GLU C N 1 ATOM 6423 C CA . GLU C 1 276 ? -28.068 36.548 -25.711 1.00 27.98 ? 278 GLU C CA 1 ATOM 6424 C C . GLU C 1 276 ? -27.389 37.291 -26.851 1.00 24.91 ? 278 GLU C C 1 ATOM 6425 O O . GLU C 1 276 ? -27.696 38.455 -27.096 1.00 26.76 ? 278 GLU C O 1 ATOM 6426 C CB . GLU C 1 276 ? -29.368 35.871 -26.174 1.00 28.43 ? 278 GLU C CB 1 ATOM 6427 C CG . GLU C 1 276 ? -29.926 34.840 -25.183 1.00 32.30 ? 278 GLU C CG 1 ATOM 6428 C CD . GLU C 1 276 ? -31.102 34.023 -25.732 1.00 33.64 ? 278 GLU C CD 1 ATOM 6429 O OE1 . GLU C 1 276 ? -31.532 34.246 -26.886 1.00 28.65 ? 278 GLU C OE1 1 ATOM 6430 O OE2 . GLU C 1 276 ? -31.591 33.135 -25.002 1.00 39.90 ? 278 GLU C OE2 1 ATOM 6431 N N . CYS C 1 277 ? -26.461 36.631 -27.533 1.00 23.94 ? 279 CYS C N 1 ATOM 6432 C CA . CYS C 1 277 ? -25.647 37.305 -28.544 1.00 23.05 ? 279 CYS C CA 1 ATOM 6433 C C . CYS C 1 277 ? -25.464 36.478 -29.800 1.00 20.60 ? 279 CYS C C 1 ATOM 6434 O O . CYS C 1 277 ? -24.348 36.066 -30.104 1.00 17.68 ? 279 CYS C O 1 ATOM 6435 C CB . CYS C 1 277 ? -24.273 37.657 -27.968 1.00 18.94 ? 279 CYS C CB 1 ATOM 6436 S SG . CYS C 1 277 ? -24.274 39.084 -26.856 1.00 33.06 ? 279 CYS C SG 1 ATOM 6437 N N . PRO C 1 278 ? -26.555 36.241 -30.541 1.00 20.87 ? 280 PRO C N 1 ATOM 6438 C CA . PRO C 1 278 ? -26.459 35.467 -31.780 1.00 23.92 ? 280 PRO C CA 1 ATOM 6439 C C . PRO C 1 278 ? -25.694 36.235 -32.850 1.00 27.16 ? 280 PRO C C 1 ATOM 6440 O O . PRO C 1 278 ? -25.804 37.468 -32.940 1.00 22.99 ? 280 PRO C O 1 ATOM 6441 C CB . PRO C 1 278 ? -27.925 35.268 -32.188 1.00 21.08 ? 280 PRO C CB 1 ATOM 6442 C CG . PRO C 1 278 ? -28.604 36.457 -31.644 1.00 27.10 ? 280 PRO C CG 1 ATOM 6443 C CD . PRO C 1 278 ? -27.905 36.795 -30.348 1.00 23.73 ? 280 PRO C CD 1 ATOM 6444 N N . SER C 1 279 ? -24.918 35.509 -33.643 1.00 24.34 ? 281 SER C N 1 ATOM 6445 C CA . SER C 1 279 ? -24.137 36.124 -34.696 1.00 24.10 ? 281 SER C CA 1 ATOM 6446 C C . SER C 1 279 ? -24.883 36.033 -36.013 1.00 27.88 ? 281 SER C C 1 ATOM 6447 O O . SER C 1 279 ? -25.568 35.050 -36.280 1.00 25.97 ? 281 SER C O 1 ATOM 6448 C CB . SER C 1 279 ? -22.760 35.466 -34.815 1.00 21.05 ? 281 SER C CB 1 ATOM 6449 O OG . SER C 1 279 ? -21.953 35.783 -33.695 1.00 21.49 ? 281 SER C OG 1 ATOM 6450 N N . LYS C 1 280 ? -24.748 37.076 -36.828 1.00 29.55 ? 282 LYS C N 1 ATOM 6451 C CA . LYS C 1 280 ? -25.381 37.130 -38.136 1.00 30.96 ? 282 LYS C CA 1 ATOM 6452 C C . LYS C 1 280 ? -24.365 37.584 -39.173 1.00 31.93 ? 282 LYS C C 1 ATOM 6453 O O . LYS C 1 280 ? -23.447 38.346 -38.856 1.00 32.03 ? 282 LYS C O 1 ATOM 6454 C CB . LYS C 1 280 ? -26.585 38.082 -38.116 1.00 26.08 ? 282 LYS C CB 1 ATOM 6455 C CG . LYS C 1 280 ? -27.523 37.861 -36.937 1.00 35.24 ? 282 LYS C CG 1 ATOM 6456 C CD . LYS C 1 280 ? -28.956 37.638 -37.402 1.00 51.63 ? 282 LYS C CD 1 ATOM 6457 C CE . LYS C 1 280 ? -29.867 37.227 -36.248 1.00 45.84 ? 282 LYS C CE 1 ATOM 6458 N NZ . LYS C 1 280 ? -31.282 37.114 -36.711 1.00 46.44 ? 282 LYS C NZ 1 ATOM 6459 N N . ILE C 1 281 ? -24.528 37.117 -40.407 1.00 22.06 ? 283 ILE C N 1 ATOM 6460 C CA . ILE C 1 281 ? -23.749 37.621 -41.527 1.00 16.79 ? 283 ILE C CA 1 ATOM 6461 C C . ILE C 1 281 ? -24.529 38.733 -42.223 1.00 21.98 ? 283 ILE C C 1 ATOM 6462 O O . ILE C 1 281 ? -25.600 38.493 -42.768 1.00 24.05 ? 283 ILE C O 1 ATOM 6463 C CB . ILE C 1 281 ? -23.422 36.515 -42.536 1.00 21.77 ? 283 ILE C CB 1 ATOM 6464 C CG1 . ILE C 1 281 ? -22.585 35.425 -41.862 1.00 22.06 ? 283 ILE C CG1 1 ATOM 6465 C CG2 . ILE C 1 281 ? -22.707 37.097 -43.752 1.00 20.88 ? 283 ILE C CG2 1 ATOM 6466 C CD1 . ILE C 1 281 ? -22.191 34.283 -42.776 1.00 21.23 ? 283 ILE C CD1 1 ATOM 6467 N N . LEU C 1 282 ? -23.995 39.950 -42.185 1.00 22.72 ? 284 LEU C N 1 ATOM 6468 C CA . LEU C 1 282 ? -24.655 41.108 -42.780 1.00 23.16 ? 284 LEU C CA 1 ATOM 6469 C C . LEU C 1 282 ? -23.804 41.762 -43.869 1.00 22.93 ? 284 LEU C C 1 ATOM 6470 O O . LEU C 1 282 ? -22.586 41.616 -43.885 1.00 23.06 ? 284 LEU C O 1 ATOM 6471 C CB . LEU C 1 282 ? -24.988 42.136 -41.702 1.00 20.83 ? 284 LEU C CB 1 ATOM 6472 C CG . LEU C 1 282 ? -26.006 41.725 -40.638 1.00 25.17 ? 284 LEU C CG 1 ATOM 6473 C CD1 . LEU C 1 282 ? -26.237 42.868 -39.662 1.00 23.77 ? 284 LEU C CD1 1 ATOM 6474 C CD2 . LEU C 1 282 ? -27.322 41.315 -41.296 1.00 21.08 ? 284 LEU C CD2 1 ATOM 6475 N N . ASN C 1 283 ? -24.460 42.475 -44.780 1.00 25.85 ? 285 ASN C N 1 ATOM 6476 C CA . ASN C 1 283 ? -23.769 43.249 -45.810 1.00 26.33 ? 285 ASN C CA 1 ATOM 6477 C C . ASN C 1 283 ? -23.304 44.582 -45.259 1.00 26.80 ? 285 ASN C C 1 ATOM 6478 O O . ASN C 1 283 ? -23.885 45.083 -44.293 1.00 27.14 ? 285 ASN C O 1 ATOM 6479 C CB . ASN C 1 283 ? -24.680 43.495 -47.020 1.00 25.63 ? 285 ASN C CB 1 ATOM 6480 C CG . ASN C 1 283 ? -24.929 42.244 -47.824 1.00 20.68 ? 285 ASN C CG 1 ATOM 6481 O OD1 . ASN C 1 283 ? -24.101 41.344 -47.852 1.00 19.19 ? 285 ASN C OD1 1 ATOM 6482 N ND2 . ASN C 1 283 ? -26.073 42.186 -48.492 1.00 22.03 ? 285 ASN C ND2 1 ATOM 6483 N N . PRO C 1 284 ? -22.260 45.168 -45.875 1.00 25.93 ? 286 PRO C N 1 ATOM 6484 C CA . PRO C 1 284 ? -21.844 46.516 -45.486 1.00 23.30 ? 286 PRO C CA 1 ATOM 6485 C C . PRO C 1 284 ? -23.024 47.463 -45.593 1.00 25.75 ? 286 PRO C C 1 ATOM 6486 O O . PRO C 1 284 ? -23.857 47.277 -46.476 1.00 23.47 ? 286 PRO C O 1 ATOM 6487 C CB . PRO C 1 284 ? -20.763 46.867 -46.512 1.00 22.95 ? 286 PRO C CB 1 ATOM 6488 C CG . PRO C 1 284 ? -20.241 45.545 -46.984 1.00 20.62 ? 286 PRO C CG 1 ATOM 6489 C CD . PRO C 1 284 ? -21.426 44.625 -46.962 1.00 21.87 ? 286 PRO C CD 1 ATOM 6490 N N . GLY C 1 285 ? -23.107 48.444 -44.702 1.00 26.41 ? 287 GLY C N 1 ATOM 6491 C CA . GLY C 1 285 ? -24.193 49.400 -44.748 1.00 21.32 ? 287 GLY C CA 1 ATOM 6492 C C . GLY C 1 285 ? -24.464 49.984 -43.388 1.00 19.73 ? 287 GLY C C 1 ATOM 6493 O O . GLY C 1 285 ? -23.711 49.765 -42.446 1.00 21.81 ? 287 GLY C O 1 ATOM 6494 N N . THR C 1 286 ? -25.553 50.730 -43.285 1.00 29.27 ? 288 THR C N 1 ATOM 6495 C CA . THR C 1 286 ? -25.929 51.369 -42.033 1.00 27.91 ? 288 THR C CA 1 ATOM 6496 C C . THR C 1 286 ? -27.203 50.734 -41.475 1.00 28.75 ? 288 THR C C 1 ATOM 6497 O O . THR C 1 286 ? -28.170 50.517 -42.202 1.00 34.63 ? 288 THR C O 1 ATOM 6498 C CB . THR C 1 286 ? -26.107 52.884 -42.235 1.00 30.87 ? 288 THR C CB 1 ATOM 6499 O OG1 . THR C 1 286 ? -24.850 53.450 -42.629 1.00 33.15 ? 288 THR C OG1 1 ATOM 6500 C CG2 . THR C 1 286 ? -26.579 53.560 -40.955 1.00 31.54 ? 288 THR C CG2 1 ATOM 6501 N N . TYR C 1 287 ? -27.195 50.417 -40.186 1.00 26.82 ? 289 TYR C N 1 ATOM 6502 C CA . TYR C 1 287 ? -28.313 49.704 -39.579 1.00 28.59 ? 289 TYR C CA 1 ATOM 6503 C C . TYR C 1 287 ? -28.879 50.470 -38.394 1.00 29.54 ? 289 TYR C C 1 ATOM 6504 O O . TYR C 1 287 ? -28.158 51.214 -37.731 1.00 28.20 ? 289 TYR C O 1 ATOM 6505 C CB . TYR C 1 287 ? -27.875 48.305 -39.154 1.00 21.93 ? 289 TYR C CB 1 ATOM 6506 C CG . TYR C 1 287 ? -27.500 47.439 -40.326 1.00 25.54 ? 289 TYR C CG 1 ATOM 6507 C CD1 . TYR C 1 287 ? -26.242 47.524 -40.909 1.00 22.14 ? 289 TYR C CD1 1 ATOM 6508 C CD2 . TYR C 1 287 ? -28.412 46.550 -40.866 1.00 27.28 ? 289 TYR C CD2 1 ATOM 6509 C CE1 . TYR C 1 287 ? -25.908 46.743 -41.995 1.00 22.31 ? 289 TYR C CE1 1 ATOM 6510 C CE2 . TYR C 1 287 ? -28.087 45.764 -41.941 1.00 25.12 ? 289 TYR C CE2 1 ATOM 6511 C CZ . TYR C 1 287 ? -26.837 45.861 -42.505 1.00 25.94 ? 289 TYR C CZ 1 ATOM 6512 O OH . TYR C 1 287 ? -26.530 45.064 -43.590 1.00 26.07 ? 289 TYR C OH 1 ATOM 6513 N N . SER C 1 288 ? -30.173 50.290 -38.140 1.00 30.91 ? 290 SER C N 1 ATOM 6514 C CA . SER C 1 288 ? -30.864 51.024 -37.082 1.00 33.23 ? 290 SER C CA 1 ATOM 6515 C C . SER C 1 288 ? -31.210 50.139 -35.891 1.00 31.26 ? 290 SER C C 1 ATOM 6516 O O . SER C 1 288 ? -31.431 48.935 -36.039 1.00 26.04 ? 290 SER C O 1 ATOM 6517 C CB . SER C 1 288 ? -32.147 51.652 -37.620 1.00 31.95 ? 290 SER C CB 1 ATOM 6518 O OG . SER C 1 288 ? -31.950 52.160 -38.924 1.00 48.02 ? 290 SER C OG 1 ATOM 6519 N N . ILE C 1 289 ? -31.276 50.759 -34.717 1.00 26.10 ? 291 ILE C N 1 ATOM 6520 C CA . ILE C 1 289 ? -31.695 50.081 -33.501 1.00 28.82 ? 291 ILE C CA 1 ATOM 6521 C C . ILE C 1 289 ? -32.737 50.915 -32.739 1.00 28.70 ? 291 ILE C C 1 ATOM 6522 O O . ILE C 1 289 ? -32.669 52.143 -32.729 1.00 29.46 ? 291 ILE C O 1 ATOM 6523 C CB . ILE C 1 289 ? -30.481 49.790 -32.590 1.00 30.25 ? 291 ILE C CB 1 ATOM 6524 C CG1 . ILE C 1 289 ? -29.451 48.933 -33.331 1.00 28.88 ? 291 ILE C CG1 1 ATOM 6525 C CG2 . ILE C 1 289 ? -30.912 49.100 -31.303 1.00 25.30 ? 291 ILE C CG2 1 ATOM 6526 C CD1 . ILE C 1 289 ? -28.127 48.814 -32.609 1.00 24.03 ? 291 ILE C CD1 1 ATOM 6527 N N . LYS C 1 290 ? -33.711 50.239 -32.130 1.00 32.16 ? 292 LYS C N 1 ATOM 6528 C CA . LYS C 1 290 ? -34.665 50.864 -31.211 1.00 34.83 ? 292 LYS C CA 1 ATOM 6529 C C . LYS C 1 290 ? -34.781 50.012 -29.949 1.00 34.28 ? 292 LYS C C 1 ATOM 6530 O O . LYS C 1 290 ? -34.835 48.788 -30.041 1.00 28.55 ? 292 LYS C O 1 ATOM 6531 C CB . LYS C 1 290 ? -36.046 51.016 -31.862 1.00 36.46 ? 292 LYS C CB 1 ATOM 6532 C CG . LYS C 1 290 ? -36.078 51.847 -33.138 1.00 37.68 ? 292 LYS C CG 1 ATOM 6533 C CD . LYS C 1 290 ? -36.819 53.163 -32.928 1.00 46.04 ? 292 LYS C CD 1 ATOM 6534 C CE . LYS C 1 290 ? -36.847 54.011 -34.196 1.00 45.19 ? 292 LYS C CE 1 ATOM 6535 N NZ . LYS C 1 290 ? -35.507 54.603 -34.510 1.00 50.39 ? 292 LYS C NZ 1 ATOM 6536 N N . SER C 1 291 ? -34.837 50.644 -28.777 1.00 30.10 ? 293 SER C N 1 ATOM 6537 C CA . SER C 1 291 ? -34.963 49.881 -27.534 1.00 34.49 ? 293 SER C CA 1 ATOM 6538 C C . SER C 1 291 ? -35.676 50.631 -26.404 1.00 35.30 ? 293 SER C C 1 ATOM 6539 O O . SER C 1 291 ? -35.859 51.845 -26.467 1.00 32.09 ? 293 SER C O 1 ATOM 6540 C CB . SER C 1 291 ? -33.581 49.440 -27.044 1.00 31.36 ? 293 SER C CB 1 ATOM 6541 O OG . SER C 1 291 ? -32.909 50.512 -26.401 1.00 36.07 ? 293 SER C OG 1 ATOM 6542 N N . THR C 1 292 ? -36.067 49.885 -25.373 1.00 32.29 ? 294 THR C N 1 ATOM 6543 C CA . THR C 1 292 ? -36.666 50.455 -24.170 1.00 36.88 ? 294 THR C CA 1 ATOM 6544 C C . THR C 1 292 ? -35.742 51.539 -23.600 1.00 38.72 ? 294 THR C C 1 ATOM 6545 O O . THR C 1 292 ? -34.516 51.424 -23.687 1.00 41.35 ? 294 THR C O 1 ATOM 6546 C CB . THR C 1 292 ? -36.946 49.359 -23.107 1.00 36.98 ? 294 THR C CB 1 ATOM 6547 O OG1 . THR C 1 292 ? -37.759 49.890 -22.055 1.00 39.91 ? 294 THR C OG1 1 ATOM 6548 C CG2 . THR C 1 292 ? -35.650 48.815 -22.511 1.00 33.50 ? 294 THR C CG2 1 ATOM 6549 N N . PRO C 1 293 ? -36.328 52.614 -23.050 1.00 38.89 ? 295 PRO C N 1 ATOM 6550 C CA . PRO C 1 293 ? -35.550 53.772 -22.595 1.00 39.60 ? 295 PRO C CA 1 ATOM 6551 C C . PRO C 1 293 ? -34.366 53.417 -21.693 1.00 43.74 ? 295 PRO C C 1 ATOM 6552 O O . PRO C 1 293 ? -33.297 53.996 -21.851 1.00 41.28 ? 295 PRO C O 1 ATOM 6553 C CB . PRO C 1 293 ? -36.583 54.597 -21.826 1.00 43.11 ? 295 PRO C CB 1 ATOM 6554 C CG . PRO C 1 293 ? -37.865 54.304 -22.527 1.00 48.49 ? 295 PRO C CG 1 ATOM 6555 C CD . PRO C 1 293 ? -37.780 52.857 -22.952 1.00 39.39 ? 295 PRO C CD 1 ATOM 6556 N N . ARG C 1 294 ? -34.548 52.466 -20.784 1.00 46.96 ? 296 ARG C N 1 ATOM 6557 C CA . ARG C 1 294 ? -33.523 52.154 -19.796 1.00 46.02 ? 296 ARG C CA 1 ATOM 6558 C C . ARG C 1 294 ? -32.218 51.607 -20.392 1.00 45.66 ? 296 ARG C C 1 ATOM 6559 O O . ARG C 1 294 ? -31.138 52.087 -20.053 1.00 41.58 ? 296 ARG C O 1 ATOM 6560 C CB . ARG C 1 294 ? -34.069 51.156 -18.775 1.00 45.23 ? 296 ARG C CB 1 ATOM 6561 C CG . ARG C 1 294 ? -33.107 50.882 -17.630 1.00 44.78 ? 296 ARG C CG 1 ATOM 6562 C CD . ARG C 1 294 ? -32.778 52.166 -16.892 1.00 48.45 ? 296 ARG C CD 1 ATOM 6563 N NE . ARG C 1 294 ? -31.770 51.963 -15.856 1.00 48.63 ? 296 ARG C NE 1 ATOM 6564 C CZ . ARG C 1 294 ? -32.029 51.488 -14.642 1.00 49.42 ? 296 ARG C CZ 1 ATOM 6565 N NH1 . ARG C 1 294 ? -33.271 51.165 -14.308 1.00 49.58 ? 296 ARG C NH1 1 ATOM 6566 N NH2 . ARG C 1 294 ? -31.046 51.332 -13.762 1.00 49.92 ? 296 ARG C NH2 1 ATOM 6567 N N . PHE C 1 295 ? -32.315 50.616 -21.274 1.00 38.24 ? 297 PHE C N 1 ATOM 6568 C CA . PHE C 1 295 ? -31.127 49.915 -21.765 1.00 38.77 ? 297 PHE C CA 1 ATOM 6569 C C . PHE C 1 295 ? -31.044 49.790 -23.285 1.00 39.75 ? 297 PHE C C 1 ATOM 6570 O O . PHE C 1 295 ? -32.006 49.382 -23.940 1.00 35.38 ? 297 PHE C O 1 ATOM 6571 C CB . PHE C 1 295 ? -31.065 48.520 -21.155 1.00 38.73 ? 297 PHE C CB 1 ATOM 6572 C CG . PHE C 1 295 ? -30.844 48.517 -19.675 1.00 37.41 ? 297 PHE C CG 1 ATOM 6573 C CD1 . PHE C 1 295 ? -29.899 49.348 -19.103 1.00 35.10 ? 297 PHE C CD1 1 ATOM 6574 C CD2 . PHE C 1 295 ? -31.584 47.679 -18.855 1.00 35.78 ? 297 PHE C CD2 1 ATOM 6575 C CE1 . PHE C 1 295 ? -29.688 49.342 -17.735 1.00 37.24 ? 297 PHE C CE1 1 ATOM 6576 C CE2 . PHE C 1 295 ? -31.379 47.663 -17.493 1.00 33.14 ? 297 PHE C CE2 1 ATOM 6577 C CZ . PHE C 1 295 ? -30.431 48.497 -16.930 1.00 36.53 ? 297 PHE C CZ 1 ATOM 6578 N N . LEU C 1 296 ? -29.876 50.126 -23.828 1.00 31.08 ? 298 LEU C N 1 ATOM 6579 C CA . LEU C 1 296 ? -29.613 50.018 -25.264 1.00 30.79 ? 298 LEU C CA 1 ATOM 6580 C C . LEU C 1 296 ? -28.325 49.227 -25.537 1.00 26.03 ? 298 LEU C C 1 ATOM 6581 O O . LEU C 1 296 ? -27.347 49.358 -24.803 1.00 27.12 ? 298 LEU C O 1 ATOM 6582 C CB . LEU C 1 296 ? -29.513 51.412 -25.889 1.00 30.70 ? 298 LEU C CB 1 ATOM 6583 C CG . LEU C 1 296 ? -29.100 51.460 -27.362 1.00 29.54 ? 298 LEU C CG 1 ATOM 6584 C CD1 . LEU C 1 296 ? -30.188 50.871 -28.243 1.00 28.48 ? 298 LEU C CD1 1 ATOM 6585 C CD2 . LEU C 1 296 ? -28.753 52.876 -27.792 1.00 27.91 ? 298 LEU C CD2 1 ATOM 6586 N N . LEU C 1 297 ? -28.332 48.408 -26.584 1.00 29.41 ? 299 LEU C N 1 ATOM 6587 C CA . LEU C 1 297 ? -27.138 47.659 -26.983 1.00 29.38 ? 299 LEU C CA 1 ATOM 6588 C C . LEU C 1 297 ? -26.745 47.967 -28.426 1.00 30.40 ? 299 LEU C C 1 ATOM 6589 O O . LEU C 1 297 ? -27.574 47.891 -29.342 1.00 29.61 ? 299 LEU C O 1 ATOM 6590 C CB . LEU C 1 297 ? -27.354 46.153 -26.817 1.00 26.84 ? 299 LEU C CB 1 ATOM 6591 C CG . LEU C 1 297 ? -27.575 45.652 -25.389 1.00 31.38 ? 299 LEU C CG 1 ATOM 6592 C CD1 . LEU C 1 297 ? -28.030 44.204 -25.400 1.00 27.73 ? 299 LEU C CD1 1 ATOM 6593 C CD2 . LEU C 1 297 ? -26.311 45.813 -24.555 1.00 29.87 ? 299 LEU C CD2 1 ATOM 6594 N N . VAL C 1 298 ? -25.476 48.311 -28.625 1.00 24.54 ? 300 VAL C N 1 ATOM 6595 C CA . VAL C 1 298 ? -24.980 48.662 -29.956 1.00 22.88 ? 300 VAL C CA 1 ATOM 6596 C C . VAL C 1 298 ? -23.773 47.805 -30.335 1.00 25.36 ? 300 VAL C C 1 ATOM 6597 O O . VAL C 1 298 ? -22.770 47.789 -29.618 1.00 23.46 ? 300 VAL C O 1 ATOM 6598 C CB . VAL C 1 298 ? -24.582 50.157 -30.034 1.00 20.18 ? 300 VAL C CB 1 ATOM 6599 C CG1 . VAL C 1 298 ? -24.262 50.547 -31.453 1.00 15.12 ? 300 VAL C CG1 1 ATOM 6600 C CG2 . VAL C 1 298 ? -25.696 51.036 -29.480 1.00 22.84 ? 300 VAL C CG2 1 ATOM 6601 N N . PRO C 1 299 ? -23.871 47.071 -31.454 1.00 26.24 ? 301 PRO C N 1 ATOM 6602 C CA . PRO C 1 299 ? -22.677 46.381 -31.952 1.00 30.24 ? 301 PRO C CA 1 ATOM 6603 C C . PRO C 1 299 ? -21.552 47.395 -32.180 1.00 29.49 ? 301 PRO C C 1 ATOM 6604 O O . PRO C 1 299 ? -21.822 48.548 -32.522 1.00 29.06 ? 301 PRO C O 1 ATOM 6605 C CB . PRO C 1 299 ? -23.148 45.751 -33.269 1.00 29.84 ? 301 PRO C CB 1 ATOM 6606 C CG . PRO C 1 299 ? -24.650 45.657 -33.133 1.00 27.63 ? 301 PRO C CG 1 ATOM 6607 C CD . PRO C 1 299 ? -25.045 46.855 -32.316 1.00 28.59 ? 301 PRO C CD 1 ATOM 6608 N N . LYS C 1 300 ? -20.311 46.981 -31.965 1.00 22.88 ? 302 LYS C N 1 ATOM 6609 C CA . LYS C 1 300 ? -19.191 47.908 -31.987 1.00 19.78 ? 302 LYS C CA 1 ATOM 6610 C C . LYS C 1 300 ? -18.011 47.274 -32.720 1.00 18.75 ? 302 LYS C C 1 ATOM 6611 O O . LYS C 1 300 ? -17.019 47.939 -33.026 1.00 20.03 ? 302 LYS C O 1 ATOM 6612 C CB . LYS C 1 300 ? -18.813 48.308 -30.553 1.00 21.44 ? 302 LYS C CB 1 ATOM 6613 C CG . LYS C 1 300 ? -17.874 49.510 -30.434 1.00 16.83 ? 302 LYS C CG 1 ATOM 6614 C CD . LYS C 1 300 ? -18.470 50.728 -31.116 1.00 22.68 ? 302 LYS C CD 1 ATOM 6615 C CE . LYS C 1 300 ? -17.556 51.943 -31.044 1.00 22.05 ? 302 LYS C CE 1 ATOM 6616 N NZ . LYS C 1 300 ? -18.105 53.069 -31.868 1.00 23.81 ? 302 LYS C NZ 1 ATOM 6617 N N . ARG C 1 301 ? -18.134 45.977 -32.999 1.00 20.64 ? 303 ARG C N 1 ATOM 6618 C CA . ARG C 1 301 ? -17.114 45.230 -33.728 1.00 18.04 ? 303 ARG C CA 1 ATOM 6619 C C . ARG C 1 301 ? -17.730 44.243 -34.715 1.00 19.38 ? 303 ARG C C 1 ATOM 6620 O O . ARG C 1 301 ? -18.908 43.892 -34.611 1.00 20.30 ? 303 ARG C O 1 ATOM 6621 C CB . ARG C 1 301 ? -16.197 44.487 -32.753 1.00 15.92 ? 303 ARG C CB 1 ATOM 6622 C CG . ARG C 1 301 ? -15.297 45.416 -31.967 1.00 19.39 ? 303 ARG C CG 1 ATOM 6623 C CD . ARG C 1 301 ? -14.270 44.671 -31.155 1.00 18.43 ? 303 ARG C CD 1 ATOM 6624 N NE . ARG C 1 301 ? -13.325 45.590 -30.536 1.00 20.46 ? 303 ARG C NE 1 ATOM 6625 C CZ . ARG C 1 301 ? -12.234 45.204 -29.890 1.00 21.08 ? 303 ARG C CZ 1 ATOM 6626 N NH1 . ARG C 1 301 ? -11.969 43.913 -29.775 1.00 20.50 ? 303 ARG C NH1 1 ATOM 6627 N NH2 . ARG C 1 301 ? -11.415 46.104 -29.357 1.00 16.98 ? 303 ARG C NH2 1 ATOM 6628 N N . SER C 1 302 ? -16.920 43.801 -35.672 1.00 15.91 ? 304 SER C N 1 ATOM 6629 C CA . SER C 1 302 ? -17.309 42.758 -36.606 1.00 15.69 ? 304 SER C CA 1 ATOM 6630 C C . SER C 1 302 ? -16.064 42.038 -37.130 1.00 17.99 ? 304 SER C C 1 ATOM 6631 O O . SER C 1 302 ? -14.938 42.442 -36.836 1.00 17.10 ? 304 SER C O 1 ATOM 6632 C CB . SER C 1 302 ? -18.086 43.344 -37.774 1.00 15.70 ? 304 SER C CB 1 ATOM 6633 O OG . SER C 1 302 ? -17.194 43.943 -38.711 1.00 17.80 ? 304 SER C OG 1 ATOM 6634 N N . TYR C 1 303 ? -16.270 40.979 -37.907 1.00 12.91 ? 305 TYR C N 1 ATOM 6635 C CA . TYR C 1 303 ? -15.198 40.423 -38.720 1.00 15.42 ? 305 TYR C CA 1 ATOM 6636 C C . TYR C 1 303 ? -15.521 40.686 -40.182 1.00 18.07 ? 305 TYR C C 1 ATOM 6637 O O . TYR C 1 303 ? -16.631 40.416 -40.651 1.00 18.17 ? 305 TYR C O 1 ATOM 6638 C CB . TYR C 1 303 ? -15.002 38.928 -38.446 1.00 17.42 ? 305 TYR C CB 1 ATOM 6639 C CG . TYR C 1 303 ? -14.151 38.676 -37.223 1.00 14.76 ? 305 TYR C CG 1 ATOM 6640 C CD1 . TYR C 1 303 ? -14.707 38.690 -35.949 1.00 12.74 ? 305 TYR C CD1 1 ATOM 6641 C CD2 . TYR C 1 303 ? -12.786 38.456 -37.341 1.00 14.42 ? 305 TYR C CD2 1 ATOM 6642 C CE1 . TYR C 1 303 ? -13.922 38.467 -34.822 1.00 16.06 ? 305 TYR C CE1 1 ATOM 6643 C CE2 . TYR C 1 303 ? -11.990 38.244 -36.229 1.00 13.98 ? 305 TYR C CE2 1 ATOM 6644 C CZ . TYR C 1 303 ? -12.560 38.245 -34.974 1.00 15.50 ? 305 TYR C CZ 1 ATOM 6645 O OH . TYR C 1 303 ? -11.768 38.029 -33.873 1.00 15.73 ? 305 TYR C OH 1 ATOM 6646 N N . CYS C 1 304 ? -14.552 41.256 -40.887 1.00 19.82 ? 306 CYS C N 1 ATOM 6647 C CA . CYS C 1 304 ? -14.721 41.633 -42.286 1.00 19.37 ? 306 CYS C CA 1 ATOM 6648 C C . CYS C 1 304 ? -14.200 40.537 -43.205 1.00 19.25 ? 306 CYS C C 1 ATOM 6649 O O . CYS C 1 304 ? -13.071 40.087 -43.050 1.00 20.01 ? 306 CYS C O 1 ATOM 6650 C CB . CYS C 1 304 ? -14.003 42.964 -42.550 1.00 21.14 ? 306 CYS C CB 1 ATOM 6651 S SG . CYS C 1 304 ? -13.570 43.329 -44.260 1.00 27.85 ? 306 CYS C SG 1 ATOM 6652 N N . PHE C 1 305 ? -15.035 40.087 -44.138 1.00 17.48 ? 307 PHE C N 1 ATOM 6653 C CA . PHE C 1 305 ? -14.643 39.079 -45.125 1.00 19.85 ? 307 PHE C CA 1 ATOM 6654 C C . PHE C 1 305 ? -14.895 39.624 -46.526 1.00 23.31 ? 307 PHE C C 1 ATOM 6655 O O . PHE C 1 305 ? -15.718 40.529 -46.696 1.00 24.51 ? 307 PHE C O 1 ATOM 6656 C CB . PHE C 1 305 ? -15.425 37.772 -44.943 1.00 18.57 ? 307 PHE C CB 1 ATOM 6657 C CG . PHE C 1 305 ? -15.250 37.133 -43.598 1.00 17.42 ? 307 PHE C CG 1 ATOM 6658 C CD1 . PHE C 1 305 ? -15.956 37.599 -42.502 1.00 15.02 ? 307 PHE C CD1 1 ATOM 6659 C CD2 . PHE C 1 305 ? -14.392 36.053 -43.434 1.00 19.91 ? 307 PHE C CD2 1 ATOM 6660 C CE1 . PHE C 1 305 ? -15.802 37.017 -41.276 1.00 16.79 ? 307 PHE C CE1 1 ATOM 6661 C CE2 . PHE C 1 305 ? -14.229 35.464 -42.200 1.00 16.82 ? 307 PHE C CE2 1 ATOM 6662 C CZ . PHE C 1 305 ? -14.941 35.944 -41.119 1.00 19.17 ? 307 PHE C CZ 1 ATOM 6663 N N . ASP C 1 306 ? -14.199 39.075 -47.521 1.00 18.72 ? 308 ASP C N 1 ATOM 6664 C CA . ASP C 1 306 ? -14.486 39.398 -48.914 1.00 19.68 ? 308 ASP C CA 1 ATOM 6665 C C . ASP C 1 306 ? -15.241 38.245 -49.579 1.00 26.46 ? 308 ASP C C 1 ATOM 6666 O O . ASP C 1 306 ? -15.563 37.250 -48.927 1.00 22.51 ? 308 ASP C O 1 ATOM 6667 C CB . ASP C 1 306 ? -13.205 39.712 -49.688 1.00 19.34 ? 308 ASP C CB 1 ATOM 6668 C CG . ASP C 1 306 ? -12.217 38.562 -49.691 1.00 24.23 ? 308 ASP C CG 1 ATOM 6669 O OD1 . ASP C 1 306 ? -12.453 37.584 -50.426 1.00 24.33 ? 308 ASP C OD1 1 ATOM 6670 O OD2 . ASP C 1 306 ? -11.193 38.638 -48.972 1.00 23.58 ? 308 ASP C OD2 1 ATOM 6671 N N . THR C 1 307 ? -15.544 38.391 -50.868 1.00 22.76 ? 309 THR C N 1 ATOM 6672 C CA . THR C 1 307 ? -16.155 37.307 -51.631 1.00 20.87 ? 309 THR C CA 1 ATOM 6673 C C . THR C 1 307 ? -15.326 37.005 -52.872 1.00 24.96 ? 309 THR C C 1 ATOM 6674 O O . THR C 1 307 ? -15.867 36.710 -53.936 1.00 28.77 ? 309 THR C O 1 ATOM 6675 C CB . THR C 1 307 ? -17.619 37.633 -52.049 1.00 25.16 ? 309 THR C CB 1 ATOM 6676 O OG1 . THR C 1 307 ? -17.715 38.999 -52.477 1.00 23.85 ? 309 THR C OG1 1 ATOM 6677 C CG2 . THR C 1 307 ? -18.588 37.401 -50.879 1.00 17.17 ? 309 THR C CG2 1 ATOM 6678 N N . ASP C 1 308 ? -14.008 37.072 -52.731 1.00 22.40 ? 310 ASP C N 1 ATOM 6679 C CA . ASP C 1 308 ? -13.110 36.775 -53.838 1.00 26.44 ? 310 ASP C CA 1 ATOM 6680 C C . ASP C 1 308 ? -12.788 35.289 -53.916 1.00 25.61 ? 310 ASP C C 1 ATOM 6681 O O . ASP C 1 308 ? -11.919 34.879 -54.671 1.00 29.61 ? 310 ASP C O 1 ATOM 6682 C CB . ASP C 1 308 ? -11.819 37.581 -53.717 1.00 25.20 ? 310 ASP C CB 1 ATOM 6683 C CG . ASP C 1 308 ? -12.072 39.063 -53.624 1.00 30.69 ? 310 ASP C CG 1 ATOM 6684 O OD1 . ASP C 1 308 ? -13.178 39.497 -54.013 1.00 31.17 ? 310 ASP C OD1 1 ATOM 6685 O OD2 . ASP C 1 308 ? -11.170 39.791 -53.157 1.00 36.07 ? 310 ASP C OD2 1 ATOM 6686 N N . GLY C 1 309 ? -13.492 34.484 -53.131 1.00 27.36 ? 311 GLY C N 1 ATOM 6687 C CA . GLY C 1 309 ? -13.330 33.044 -53.191 1.00 22.07 ? 311 GLY C CA 1 ATOM 6688 C C . GLY C 1 309 ? -12.282 32.544 -52.217 1.00 27.47 ? 311 GLY C C 1 ATOM 6689 O O . GLY C 1 309 ? -11.354 33.273 -51.854 1.00 31.10 ? 311 GLY C O 1 ATOM 6690 N N . GLY C 1 310 ? -12.446 31.299 -51.783 1.00 22.56 ? 312 GLY C N 1 ATOM 6691 C CA . GLY C 1 310 ? -11.475 30.630 -50.941 1.00 20.51 ? 312 GLY C CA 1 ATOM 6692 C C . GLY C 1 310 ? -11.654 29.129 -51.033 1.00 23.59 ? 312 GLY C C 1 ATOM 6693 O O . GLY C 1 310 ? -12.560 28.642 -51.703 1.00 24.86 ? 312 GLY C O 1 ATOM 6694 N N . TYR C 1 311 ? -10.784 28.389 -50.360 1.00 26.57 ? 313 TYR C N 1 ATOM 6695 C CA . TYR C 1 311 ? -10.910 26.941 -50.277 1.00 23.11 ? 313 TYR C CA 1 ATOM 6696 C C . TYR C 1 311 ? -11.700 26.523 -49.035 1.00 22.77 ? 313 TYR C C 1 ATOM 6697 O O . TYR C 1 311 ? -11.958 27.351 -48.158 1.00 19.57 ? 313 TYR C O 1 ATOM 6698 C CB . TYR C 1 311 ? -9.528 26.299 -50.241 1.00 22.86 ? 313 TYR C CB 1 ATOM 6699 C CG . TYR C 1 311 ? -8.920 25.995 -51.581 1.00 25.35 ? 313 TYR C CG 1 ATOM 6700 C CD1 . TYR C 1 311 ? -9.650 25.350 -52.579 1.00 27.59 ? 313 TYR C CD1 1 ATOM 6701 C CD2 . TYR C 1 311 ? -7.608 26.349 -51.852 1.00 26.04 ? 313 TYR C CD2 1 ATOM 6702 C CE1 . TYR C 1 311 ? -9.074 25.066 -53.812 1.00 21.84 ? 313 TYR C CE1 1 ATOM 6703 C CE2 . TYR C 1 311 ? -7.030 26.071 -53.075 1.00 26.40 ? 313 TYR C CE2 1 ATOM 6704 C CZ . TYR C 1 311 ? -7.762 25.429 -54.044 1.00 25.37 ? 313 TYR C CZ 1 ATOM 6705 O OH . TYR C 1 311 ? -7.167 25.164 -55.254 1.00 32.08 ? 313 TYR C OH 1 ATOM 6706 N N . PRO C 1 312 ? -12.095 25.237 -48.960 1.00 25.36 ? 314 PRO C N 1 ATOM 6707 C CA . PRO C 1 312 ? -12.534 24.701 -47.666 1.00 24.29 ? 314 PRO C CA 1 ATOM 6708 C C . PRO C 1 312 ? -11.500 24.963 -46.575 1.00 21.95 ? 314 PRO C C 1 ATOM 6709 O O . PRO C 1 312 ? -10.296 24.895 -46.835 1.00 21.82 ? 314 PRO C O 1 ATOM 6710 C CB . PRO C 1 312 ? -12.690 23.205 -47.933 1.00 20.32 ? 314 PRO C CB 1 ATOM 6711 C CG . PRO C 1 312 ? -13.055 23.132 -49.381 1.00 27.49 ? 314 PRO C CG 1 ATOM 6712 C CD . PRO C 1 312 ? -12.349 24.289 -50.064 1.00 25.74 ? 314 PRO C CD 1 ATOM 6713 N N . ILE C 1 313 ? -11.977 25.288 -45.378 1.00 19.95 ? 315 ILE C N 1 ATOM 6714 C CA . ILE C 1 313 ? -11.104 25.653 -44.272 1.00 18.99 ? 315 ILE C CA 1 ATOM 6715 C C . ILE C 1 313 ? -10.825 24.469 -43.348 1.00 21.18 ? 315 ILE C C 1 ATOM 6716 O O . ILE C 1 313 ? -11.578 23.494 -43.313 1.00 18.75 ? 315 ILE C O 1 ATOM 6717 C CB . ILE C 1 313 ? -11.707 26.797 -43.433 1.00 21.62 ? 315 ILE C CB 1 ATOM 6718 C CG1 . ILE C 1 313 ? -12.922 26.302 -42.641 1.00 17.06 ? 315 ILE C CG1 1 ATOM 6719 C CG2 . ILE C 1 313 ? -12.072 27.983 -44.315 1.00 19.02 ? 315 ILE C CG2 1 ATOM 6720 C CD1 . ILE C 1 313 ? -13.510 27.351 -41.718 1.00 13.17 ? 315 ILE C CD1 1 ATOM 6721 N N . GLN C 1 314 ? -9.725 24.562 -42.611 1.00 19.56 ? 316 GLN C N 1 ATOM 6722 C CA . GLN C 1 314 ? -9.409 23.582 -41.587 1.00 19.78 ? 316 GLN C CA 1 ATOM 6723 C C . GLN C 1 314 ? -9.522 24.244 -40.227 1.00 21.87 ? 316 GLN C C 1 ATOM 6724 O O . GLN C 1 314 ? -8.960 25.325 -39.994 1.00 21.41 ? 316 GLN C O 1 ATOM 6725 C CB . GLN C 1 314 ? -8.014 22.990 -41.802 1.00 19.85 ? 316 GLN C CB 1 ATOM 6726 C CG . GLN C 1 314 ? -7.880 22.281 -43.143 1.00 20.28 ? 316 GLN C CG 1 ATOM 6727 C CD . GLN C 1 314 ? -6.451 21.969 -43.515 1.00 18.82 ? 316 GLN C CD 1 ATOM 6728 O OE1 . GLN C 1 314 ? -5.858 21.015 -43.011 1.00 21.77 ? 316 GLN C OE1 1 ATOM 6729 N NE2 . GLN C 1 314 ? -5.885 22.774 -44.412 1.00 21.60 ? 316 GLN C NE2 1 ATOM 6730 N N . VAL C 1 315 ? -10.295 23.606 -39.353 1.00 17.85 ? 317 VAL C N 1 ATOM 6731 C CA . VAL C 1 315 ? -10.457 24.027 -37.967 1.00 17.42 ? 317 VAL C CA 1 ATOM 6732 C C . VAL C 1 315 ? -9.837 22.970 -37.061 1.00 16.68 ? 317 VAL C C 1 ATOM 6733 O O . VAL C 1 315 ? -10.196 21.795 -37.127 1.00 19.00 ? 317 VAL C O 1 ATOM 6734 C CB . VAL C 1 315 ? -11.948 24.221 -37.599 1.00 20.63 ? 317 VAL C CB 1 ATOM 6735 C CG1 . VAL C 1 315 ? -12.118 24.436 -36.091 1.00 14.98 ? 317 VAL C CG1 1 ATOM 6736 C CG2 . VAL C 1 315 ? -12.556 25.365 -38.401 1.00 16.48 ? 317 VAL C CG2 1 ATOM 6737 N N . VAL C 1 316 ? -8.897 23.390 -36.229 1.00 15.96 ? 318 VAL C N 1 ATOM 6738 C CA . VAL C 1 316 ? -8.207 22.482 -35.328 1.00 11.93 ? 318 VAL C CA 1 ATOM 6739 C C . VAL C 1 316 ? -8.816 22.544 -33.930 1.00 16.97 ? 318 VAL C C 1 ATOM 6740 O O . VAL C 1 316 ? -9.024 23.635 -33.379 1.00 10.71 ? 318 VAL C O 1 ATOM 6741 C CB . VAL C 1 316 ? -6.697 22.816 -35.248 1.00 14.87 ? 318 VAL C CB 1 ATOM 6742 C CG1 . VAL C 1 316 ? -5.972 21.845 -34.302 1.00 12.44 ? 318 VAL C CG1 1 ATOM 6743 C CG2 . VAL C 1 316 ? -6.060 22.804 -36.652 1.00 10.28 ? 318 VAL C CG2 1 ATOM 6744 N N . GLN C 1 317 ? -9.108 21.365 -33.375 1.00 20.76 ? 319 GLN C N 1 ATOM 6745 C CA . GLN C 1 317 ? -9.636 21.225 -32.022 1.00 18.76 ? 319 GLN C CA 1 ATOM 6746 C C . GLN C 1 317 ? -8.856 22.109 -31.057 1.00 22.78 ? 319 GLN C C 1 ATOM 6747 O O . GLN C 1 317 ? -7.626 22.101 -31.062 1.00 19.48 ? 319 GLN C O 1 ATOM 6748 C CB . GLN C 1 317 ? -9.564 19.760 -31.583 1.00 23.00 ? 319 GLN C CB 1 ATOM 6749 C CG . GLN C 1 317 ? -10.066 19.475 -30.180 1.00 21.65 ? 319 GLN C CG 1 ATOM 6750 C CD . GLN C 1 317 ? -9.852 18.022 -29.780 1.00 25.31 ? 319 GLN C CD 1 ATOM 6751 O OE1 . GLN C 1 317 ? -8.766 17.467 -29.970 1.00 26.00 ? 319 GLN C OE1 1 ATOM 6752 N NE2 . GLN C 1 317 ? -10.884 17.402 -29.223 1.00 21.04 ? 319 GLN C NE2 1 ATOM 6753 N N . SER C 1 318 ? -9.570 22.888 -30.254 1.00 21.34 ? 320 SER C N 1 ATOM 6754 C CA . SER C 1 318 ? -8.928 23.824 -29.344 1.00 19.66 ? 320 SER C CA 1 ATOM 6755 C C . SER C 1 318 ? -9.467 23.641 -27.934 1.00 21.01 ? 320 SER C C 1 ATOM 6756 O O . SER C 1 318 ? -10.441 24.287 -27.543 1.00 21.13 ? 320 SER C O 1 ATOM 6757 C CB . SER C 1 318 ? -9.137 25.269 -29.818 1.00 21.59 ? 320 SER C CB 1 ATOM 6758 O OG . SER C 1 318 ? -8.381 26.182 -29.033 1.00 19.79 ? 320 SER C OG 1 ATOM 6759 N N . GLU C 1 319 ? -8.832 22.745 -27.179 1.00 21.21 ? 321 GLU C N 1 ATOM 6760 C CA . GLU C 1 319 ? -9.276 22.428 -25.826 1.00 23.74 ? 321 GLU C CA 1 ATOM 6761 C C . GLU C 1 319 ? -8.104 22.476 -24.858 1.00 26.04 ? 321 GLU C C 1 ATOM 6762 O O . GLU C 1 319 ? -6.948 22.398 -25.265 1.00 23.29 ? 321 GLU C O 1 ATOM 6763 C CB . GLU C 1 319 ? -9.945 21.042 -25.770 1.00 23.61 ? 321 GLU C CB 1 ATOM 6764 C CG . GLU C 1 319 ? -11.288 20.963 -26.478 1.00 24.60 ? 321 GLU C CG 1 ATOM 6765 C CD . GLU C 1 319 ? -11.855 19.542 -26.558 1.00 33.10 ? 321 GLU C CD 1 ATOM 6766 O OE1 . GLU C 1 319 ? -11.275 18.609 -25.962 1.00 33.40 ? 321 GLU C OE1 1 ATOM 6767 O OE2 . GLU C 1 319 ? -12.896 19.358 -27.223 1.00 33.71 ? 321 GLU C OE2 1 ATOM 6768 N N . TRP C 1 320 ? -8.410 22.614 -23.572 1.00 24.01 ? 322 TRP C N 1 ATOM 6769 C CA . TRP C 1 320 ? -7.384 22.549 -22.544 1.00 22.98 ? 322 TRP C CA 1 ATOM 6770 C C . TRP C 1 320 ? -7.038 21.094 -22.262 1.00 23.62 ? 322 TRP C C 1 ATOM 6771 O O . TRP C 1 320 ? -7.687 20.179 -22.773 1.00 23.41 ? 322 TRP C O 1 ATOM 6772 C CB . TRP C 1 320 ? -7.848 23.214 -21.247 1.00 21.00 ? 322 TRP C CB 1 ATOM 6773 C CG . TRP C 1 320 ? -8.114 24.689 -21.301 1.00 23.32 ? 322 TRP C CG 1 ATOM 6774 C CD1 . TRP C 1 320 ? -9.305 25.315 -21.058 1.00 23.48 ? 322 TRP C CD1 1 ATOM 6775 C CD2 . TRP C 1 320 ? -7.167 25.728 -21.578 1.00 24.28 ? 322 TRP C CD2 1 ATOM 6776 N NE1 . TRP C 1 320 ? -9.161 26.673 -21.176 1.00 20.08 ? 322 TRP C NE1 1 ATOM 6777 C CE2 . TRP C 1 320 ? -7.862 26.955 -21.495 1.00 27.60 ? 322 TRP C CE2 1 ATOM 6778 C CE3 . TRP C 1 320 ? -5.805 25.741 -21.900 1.00 23.75 ? 322 TRP C CE3 1 ATOM 6779 C CZ2 . TRP C 1 320 ? -7.233 28.187 -21.720 1.00 26.03 ? 322 TRP C CZ2 1 ATOM 6780 C CZ3 . TRP C 1 320 ? -5.183 26.967 -22.124 1.00 26.37 ? 322 TRP C CZ3 1 ATOM 6781 C CH2 . TRP C 1 320 ? -5.897 28.170 -22.029 1.00 25.48 ? 322 TRP C CH2 1 ATOM 6782 N N . SER C 1 321 ? -6.030 20.892 -21.423 1.00 21.69 ? 323 SER C N 1 ATOM 6783 C CA . SER C 1 321 ? -5.747 19.582 -20.854 1.00 20.99 ? 323 SER C CA 1 ATOM 6784 C C . SER C 1 321 ? -6.902 19.177 -19.936 1.00 25.68 ? 323 SER C C 1 ATOM 6785 O O . SER C 1 321 ? -7.753 20.009 -19.601 1.00 25.33 ? 323 SER C O 1 ATOM 6786 C CB . SER C 1 321 ? -4.426 19.604 -20.091 1.00 21.92 ? 323 SER C CB 1 ATOM 6787 O OG . SER C 1 321 ? -4.458 20.572 -19.051 1.00 23.76 ? 323 SER C OG 1 ATOM 6788 N N . ALA C 1 322 ? -6.924 17.907 -19.532 1.00 23.03 ? 324 ALA C N 1 ATOM 6789 C CA . ALA C 1 322 ? -8.002 17.349 -18.704 1.00 25.68 ? 324 ALA C CA 1 ATOM 6790 C C . ALA C 1 322 ? -8.297 18.152 -17.436 1.00 19.19 ? 324 ALA C C 1 ATOM 6791 O O . ALA C 1 322 ? -9.430 18.178 -16.970 1.00 22.37 ? 324 ALA C O 1 ATOM 6792 C CB . ALA C 1 322 ? -7.673 15.890 -18.324 1.00 22.07 ? 324 ALA C CB 1 ATOM 6793 N N . SER C 1 323 ? -7.282 18.804 -16.883 1.00 21.98 ? 325 SER C N 1 ATOM 6794 C CA . SER C 1 323 ? -7.439 19.533 -15.627 1.00 27.42 ? 325 SER C CA 1 ATOM 6795 C C . SER C 1 323 ? -8.412 20.718 -15.718 1.00 37.25 ? 325 SER C C 1 ATOM 6796 O O . SER C 1 323 ? -9.072 21.054 -14.737 1.00 39.12 ? 325 SER C O 1 ATOM 6797 C CB . SER C 1 323 ? -6.083 20.028 -15.138 1.00 26.92 ? 325 SER C CB 1 ATOM 6798 O OG . SER C 1 323 ? -5.359 20.636 -16.195 1.00 37.45 ? 325 SER C OG 1 ATOM 6799 N N . ARG C 1 324 ? -8.508 21.342 -16.889 1.00 34.17 ? 326 ARG C N 1 ATOM 6800 C CA . ARG C 1 324 ? -9.338 22.534 -17.036 1.00 32.02 ? 326 ARG C CA 1 ATOM 6801 C C . ARG C 1 324 ? -10.669 22.249 -17.733 1.00 28.39 ? 326 ARG C C 1 ATOM 6802 O O . ARG C 1 324 ? -10.851 21.203 -18.358 1.00 30.98 ? 326 ARG C O 1 ATOM 6803 C CB . ARG C 1 324 ? -8.576 23.616 -17.801 1.00 29.92 ? 326 ARG C CB 1 ATOM 6804 C CG . ARG C 1 324 ? -7.400 24.199 -17.042 1.00 31.47 ? 326 ARG C CG 1 ATOM 6805 C CD . ARG C 1 324 ? -6.573 25.099 -17.941 1.00 32.55 ? 326 ARG C CD 1 ATOM 6806 N NE . ARG C 1 324 ? -5.557 25.838 -17.202 1.00 29.38 ? 326 ARG C NE 1 ATOM 6807 C CZ . ARG C 1 324 ? -4.694 26.673 -17.768 1.00 33.47 ? 326 ARG C CZ 1 ATOM 6808 N NH1 . ARG C 1 324 ? -4.728 26.864 -19.081 1.00 32.50 ? 326 ARG C NH1 1 ATOM 6809 N NH2 . ARG C 1 324 ? -3.793 27.308 -17.030 1.00 32.58 ? 326 ARG C NH2 1 ATOM 6810 N N . ARG C 1 325 ? -11.593 23.196 -17.631 1.00 27.01 ? 327 ARG C N 1 ATOM 6811 C CA . ARG C 1 325 ? -12.925 23.034 -18.209 1.00 26.96 ? 327 ARG C CA 1 ATOM 6812 C C . ARG C 1 325 ? -13.024 23.527 -19.652 1.00 24.41 ? 327 ARG C C 1 ATOM 6813 O O . ARG C 1 325 ? -12.950 24.732 -19.908 1.00 26.13 ? 327 ARG C O 1 ATOM 6814 C CB . ARG C 1 325 ? -13.955 23.759 -17.347 1.00 24.94 ? 327 ARG C CB 1 ATOM 6815 C CG . ARG C 1 325 ? -14.246 23.054 -16.050 1.00 28.30 ? 327 ARG C CG 1 ATOM 6816 C CD . ARG C 1 325 ? -15.472 23.629 -15.400 1.00 29.41 ? 327 ARG C CD 1 ATOM 6817 N NE . ARG C 1 325 ? -15.284 25.029 -15.052 1.00 37.13 ? 327 ARG C NE 1 ATOM 6818 C CZ . ARG C 1 325 ? -16.240 25.949 -15.133 1.00 40.95 ? 327 ARG C CZ 1 ATOM 6819 N NH1 . ARG C 1 325 ? -17.455 25.613 -15.551 1.00 38.26 ? 327 ARG C NH1 1 ATOM 6820 N NH2 . ARG C 1 325 ? -15.984 27.202 -14.792 1.00 36.21 ? 327 ARG C NH2 1 ATOM 6821 N N . SER C 1 326 ? -13.217 22.591 -20.580 1.00 14.99 ? 328 SER C N 1 ATOM 6822 C CA . SER C 1 326 ? -13.278 22.910 -22.005 1.00 20.81 ? 328 SER C CA 1 ATOM 6823 C C . SER C 1 326 ? -14.689 22.901 -22.601 1.00 20.22 ? 328 SER C C 1 ATOM 6824 O O . SER C 1 326 ? -15.694 22.752 -21.898 1.00 20.43 ? 328 SER C O 1 ATOM 6825 C CB . SER C 1 326 ? -12.417 21.929 -22.801 1.00 16.75 ? 328 SER C CB 1 ATOM 6826 O OG . SER C 1 326 ? -11.064 21.991 -22.400 1.00 19.66 ? 328 SER C OG 1 ATOM 6827 N N . ASP C 1 327 ? -14.740 23.077 -23.916 1.00 22.08 ? 329 ASP C N 1 ATOM 6828 C CA . ASP C 1 327 ? -15.961 22.869 -24.682 1.00 24.78 ? 329 ASP C CA 1 ATOM 6829 C C . ASP C 1 327 ? -15.578 22.406 -26.081 1.00 20.86 ? 329 ASP C C 1 ATOM 6830 O O . ASP C 1 327 ? -14.435 22.579 -26.501 1.00 23.13 ? 329 ASP C O 1 ATOM 6831 C CB . ASP C 1 327 ? -16.824 24.146 -24.734 1.00 23.14 ? 329 ASP C CB 1 ATOM 6832 C CG . ASP C 1 327 ? -16.211 25.248 -25.588 1.00 23.57 ? 329 ASP C CG 1 ATOM 6833 O OD1 . ASP C 1 327 ? -16.088 25.062 -26.820 1.00 21.27 ? 329 ASP C OD1 1 ATOM 6834 O OD2 . ASP C 1 327 ? -15.891 26.321 -25.032 1.00 24.79 ? 329 ASP C OD2 1 ATOM 6835 N N . ASN C 1 328 ? -16.523 21.821 -26.806 1.00 19.26 ? 330 ASN C N 1 ATOM 6836 C CA . ASN C 1 328 ? -16.273 21.459 -28.199 1.00 18.66 ? 330 ASN C CA 1 ATOM 6837 C C . ASN C 1 328 ? -17.127 22.294 -29.173 1.00 18.63 ? 330 ASN C C 1 ATOM 6838 O O . ASN C 1 328 ? -17.595 21.782 -30.204 1.00 13.01 ? 330 ASN C O 1 ATOM 6839 C CB . ASN C 1 328 ? -16.514 19.957 -28.418 1.00 18.12 ? 330 ASN C CB 1 ATOM 6840 C CG . ASN C 1 328 ? -17.925 19.516 -28.031 1.00 22.25 ? 330 ASN C CG 1 ATOM 6841 O OD1 . ASN C 1 328 ? -18.764 20.337 -27.641 1.00 16.36 ? 330 ASN C OD1 1 ATOM 6842 N ND2 . ASN C 1 328 ? -18.190 18.205 -28.143 1.00 23.90 ? 330 ASN C ND2 1 ATOM 6843 N N . ALA C 1 329 ? -17.313 23.579 -28.849 1.00 14.78 ? 331 ALA C N 1 ATOM 6844 C CA . ALA C 1 329 ? -18.193 24.439 -29.643 1.00 18.61 ? 331 ALA C CA 1 ATOM 6845 C C . ALA C 1 329 ? -17.644 24.686 -31.053 1.00 18.36 ? 331 ALA C C 1 ATOM 6846 O O . ALA C 1 329 ? -18.414 24.703 -32.010 1.00 18.34 ? 331 ALA C O 1 ATOM 6847 C CB . ALA C 1 329 ? -18.451 25.776 -28.925 1.00 17.94 ? 331 ALA C CB 1 ATOM 6848 N N . THR C 1 330 ? -16.329 24.859 -31.198 1.00 16.35 ? 332 THR C N 1 ATOM 6849 C CA . THR C 1 330 ? -15.779 25.051 -32.543 1.00 18.87 ? 332 THR C CA 1 ATOM 6850 C C . THR C 1 330 ? -15.883 23.754 -33.340 1.00 18.52 ? 332 THR C C 1 ATOM 6851 O O . THR C 1 330 ? -15.989 23.780 -34.569 1.00 18.97 ? 332 THR C O 1 ATOM 6852 C CB . THR C 1 330 ? -14.284 25.547 -32.543 1.00 16.12 ? 332 THR C CB 1 ATOM 6853 O OG1 . THR C 1 330 ? -13.396 24.470 -32.238 1.00 16.63 ? 332 THR C OG1 1 ATOM 6854 C CG2 . THR C 1 330 ? -14.067 26.698 -31.557 1.00 13.78 ? 332 THR C CG2 1 ATOM 6855 N N . GLU C 1 331 ? -15.853 22.616 -32.648 1.00 19.71 ? 333 GLU C N 1 ATOM 6856 C CA . GLU C 1 331 ? -15.970 21.329 -33.329 1.00 18.67 ? 333 GLU C CA 1 ATOM 6857 C C . GLU C 1 331 ? -17.336 21.178 -33.986 1.00 22.20 ? 333 GLU C C 1 ATOM 6858 O O . GLU C 1 331 ? -17.445 20.863 -35.167 1.00 25.13 ? 333 GLU C O 1 ATOM 6859 C CB . GLU C 1 331 ? -15.748 20.178 -32.352 1.00 22.02 ? 333 GLU C CB 1 ATOM 6860 C CG . GLU C 1 331 ? -16.055 18.807 -32.934 1.00 22.07 ? 333 GLU C CG 1 ATOM 6861 C CD . GLU C 1 331 ? -15.615 17.700 -32.003 1.00 25.92 ? 333 GLU C CD 1 ATOM 6862 O OE1 . GLU C 1 331 ? -15.616 16.521 -32.420 1.00 26.71 ? 333 GLU C OE1 1 ATOM 6863 O OE2 . GLU C 1 331 ? -15.252 18.024 -30.852 1.00 27.26 ? 333 GLU C OE2 1 ATOM 6864 N N . GLU C 1 332 ? -18.379 21.408 -33.202 1.00 21.22 ? 334 GLU C N 1 ATOM 6865 C CA . GLU C 1 332 ? -19.737 21.257 -33.681 1.00 20.36 ? 334 GLU C CA 1 ATOM 6866 C C . GLU C 1 332 ? -20.072 22.320 -34.722 1.00 24.40 ? 334 GLU C C 1 ATOM 6867 O O . GLU C 1 332 ? -20.801 22.055 -35.678 1.00 22.09 ? 334 GLU C O 1 ATOM 6868 C CB . GLU C 1 332 ? -20.706 21.310 -32.505 1.00 21.16 ? 334 GLU C CB 1 ATOM 6869 C CG . GLU C 1 332 ? -20.522 20.124 -31.566 1.00 23.91 ? 334 GLU C CG 1 ATOM 6870 C CD . GLU C 1 332 ? -21.709 19.890 -30.654 1.00 26.90 ? 334 GLU C CD 1 ATOM 6871 O OE1 . GLU C 1 332 ? -21.788 18.790 -30.069 1.00 30.60 ? 334 GLU C OE1 1 ATOM 6872 O OE2 . GLU C 1 332 ? -22.558 20.796 -30.521 1.00 26.44 ? 334 GLU C OE2 1 ATOM 6873 N N . ALA C 1 333 ? -19.515 23.516 -34.540 1.00 22.68 ? 335 ALA C N 1 ATOM 6874 C CA . ALA C 1 333 ? -19.711 24.602 -35.486 1.00 21.87 ? 335 ALA C CA 1 ATOM 6875 C C . ALA C 1 333 ? -19.107 24.224 -36.824 1.00 18.73 ? 335 ALA C C 1 ATOM 6876 O O . ALA C 1 333 ? -19.694 24.484 -37.867 1.00 21.38 ? 335 ALA C O 1 ATOM 6877 C CB . ALA C 1 333 ? -19.092 25.906 -34.960 1.00 22.47 ? 335 ALA C CB 1 ATOM 6878 N N . CYS C 1 334 ? -17.934 23.607 -36.782 1.00 18.58 ? 336 CYS C N 1 ATOM 6879 C CA . CYS C 1 334 ? -17.265 23.148 -37.992 1.00 21.54 ? 336 CYS C CA 1 ATOM 6880 C C . CYS C 1 334 ? -18.072 22.056 -38.695 1.00 24.24 ? 336 CYS C C 1 ATOM 6881 O O . CYS C 1 334 ? -18.201 22.060 -39.919 1.00 22.96 ? 336 CYS C O 1 ATOM 6882 C CB . CYS C 1 334 ? -15.865 22.635 -37.665 1.00 20.91 ? 336 CYS C CB 1 ATOM 6883 S SG . CYS C 1 334 ? -14.958 21.979 -39.088 1.00 24.06 ? 336 CYS C SG 1 ATOM 6884 N N . LEU C 1 335 ? -18.620 21.134 -37.906 1.00 21.71 ? 337 LEU C N 1 ATOM 6885 C CA . LEU C 1 335 ? -19.411 20.013 -38.418 1.00 25.23 ? 337 LEU C CA 1 ATOM 6886 C C . LEU C 1 335 ? -20.730 20.452 -39.064 1.00 24.46 ? 337 LEU C C 1 ATOM 6887 O O . LEU C 1 335 ? -21.217 19.813 -39.988 1.00 20.95 ? 337 LEU C O 1 ATOM 6888 C CB . LEU C 1 335 ? -19.710 19.020 -37.287 1.00 28.85 ? 337 LEU C CB 1 ATOM 6889 C CG . LEU C 1 335 ? -18.861 17.759 -37.078 1.00 28.90 ? 337 LEU C CG 1 ATOM 6890 C CD1 . LEU C 1 335 ? -17.387 18.012 -37.275 1.00 26.80 ? 337 LEU C CD1 1 ATOM 6891 C CD2 . LEU C 1 335 ? -19.124 17.214 -35.684 1.00 25.26 ? 337 LEU C CD2 1 ATOM 6892 N N . GLN C 1 336 ? -21.311 21.540 -38.575 1.00 18.87 ? 338 GLN C N 1 ATOM 6893 C CA . GLN C 1 336 ? -22.591 21.981 -39.105 1.00 19.20 ? 338 GLN C CA 1 ATOM 6894 C C . GLN C 1 336 ? -22.407 23.034 -40.186 1.00 25.05 ? 338 GLN C C 1 ATOM 6895 O O . GLN C 1 336 ? -23.373 23.669 -40.603 1.00 27.72 ? 338 GLN C O 1 ATOM 6896 C CB . GLN C 1 336 ? -23.497 22.520 -37.986 1.00 17.72 ? 338 GLN C CB 1 ATOM 6897 C CG . GLN C 1 336 ? -23.186 23.914 -37.450 1.00 21.02 ? 338 GLN C CG 1 ATOM 6898 C CD . GLN C 1 336 ? -24.181 24.349 -36.367 1.00 25.34 ? 338 GLN C CD 1 ATOM 6899 O OE1 . GLN C 1 336 ? -25.138 23.635 -36.071 1.00 28.03 ? 338 GLN C OE1 1 ATOM 6900 N NE2 . GLN C 1 336 ? -23.950 25.517 -35.770 1.00 24.95 ? 338 GLN C NE2 1 ATOM 6901 N N . THR C 1 337 ? -21.170 23.211 -40.647 1.00 25.19 ? 339 THR C N 1 ATOM 6902 C CA . THR C 1 337 ? -20.874 24.256 -41.614 1.00 24.22 ? 339 THR C CA 1 ATOM 6903 C C . THR C 1 337 ? -20.193 23.704 -42.859 1.00 28.34 ? 339 THR C C 1 ATOM 6904 O O . THR C 1 337 ? -19.133 23.089 -42.768 1.00 25.09 ? 339 THR C O 1 ATOM 6905 C CB . THR C 1 337 ? -19.982 25.350 -40.997 1.00 26.27 ? 339 THR C CB 1 ATOM 6906 O OG1 . THR C 1 337 ? -20.649 25.923 -39.867 1.00 23.09 ? 339 THR C OG1 1 ATOM 6907 C CG2 . THR C 1 337 ? -19.686 26.448 -42.009 1.00 24.24 ? 339 THR C CG2 1 ATOM 6908 N N . GLU C 1 338 ? -20.823 23.936 -44.011 1.00 27.71 ? 340 GLU C N 1 ATOM 6909 C CA . GLU C 1 338 ? -20.273 23.602 -45.329 1.00 33.79 ? 340 GLU C CA 1 ATOM 6910 C C . GLU C 1 338 ? -18.829 24.066 -45.523 1.00 31.43 ? 340 GLU C C 1 ATOM 6911 O O . GLU C 1 338 ? -18.484 25.183 -45.152 1.00 28.94 ? 340 GLU C O 1 ATOM 6912 C CB . GLU C 1 338 ? -21.123 24.244 -46.432 1.00 37.51 ? 340 GLU C CB 1 ATOM 6913 C CG . GLU C 1 338 ? -22.599 23.967 -46.342 1.00 47.70 ? 340 GLU C CG 1 ATOM 6914 C CD . GLU C 1 338 ? -22.984 22.700 -47.061 1.00 52.85 ? 340 GLU C CD 1 ATOM 6915 O OE1 . GLU C 1 338 ? -23.745 22.798 -48.053 1.00 49.97 ? 340 GLU C OE1 1 ATOM 6916 O OE2 . GLU C 1 338 ? -22.514 21.618 -46.633 1.00 44.48 ? 340 GLU C OE2 1 ATOM 6917 N N . GLY C 1 339 ? -18.002 23.227 -46.135 1.00 25.82 ? 341 GLY C N 1 ATOM 6918 C CA . GLY C 1 339 ? -16.648 23.624 -46.473 1.00 29.31 ? 341 GLY C CA 1 ATOM 6919 C C . GLY C 1 339 ? -15.695 23.671 -45.290 1.00 31.32 ? 341 GLY C C 1 ATOM 6920 O O . GLY C 1 339 ? -14.585 24.189 -45.400 1.00 29.49 ? 341 GLY C O 1 ATOM 6921 N N . CYS C 1 340 ? -16.121 23.125 -44.157 1.00 29.26 ? 342 CYS C N 1 ATOM 6922 C CA . CYS C 1 340 ? -15.277 23.111 -42.972 1.00 28.18 ? 342 CYS C CA 1 ATOM 6923 C C . CYS C 1 340 ? -14.768 21.701 -42.661 1.00 31.51 ? 342 CYS C C 1 ATOM 6924 O O . CYS C 1 340 ? -15.553 20.756 -42.535 1.00 30.52 ? 342 CYS C O 1 ATOM 6925 C CB . CYS C 1 340 ? -16.034 23.683 -41.768 1.00 28.80 ? 342 CYS C CB 1 ATOM 6926 S SG . CYS C 1 340 ? -15.082 23.680 -40.223 1.00 43.79 ? 342 CYS C SG 1 ATOM 6927 N N . ILE C 1 341 ? -13.447 21.573 -42.553 1.00 23.15 ? 343 ILE C N 1 ATOM 6928 C CA . ILE C 1 341 ? -12.796 20.312 -42.205 1.00 20.43 ? 343 ILE C CA 1 ATOM 6929 C C . ILE C 1 341 ? -12.272 20.386 -40.770 1.00 22.48 ? 343 ILE C C 1 ATOM 6930 O O . ILE C 1 341 ? -11.601 21.349 -40.394 1.00 20.93 ? 343 ILE C O 1 ATOM 6931 C CB . ILE C 1 341 ? -11.628 19.987 -43.153 1.00 16.10 ? 343 ILE C CB 1 ATOM 6932 C CG1 . ILE C 1 341 ? -12.097 19.917 -44.601 1.00 15.80 ? 343 ILE C CG1 1 ATOM 6933 C CG2 . ILE C 1 341 ? -10.965 18.686 -42.760 1.00 16.85 ? 343 ILE C CG2 1 ATOM 6934 C CD1 . ILE C 1 341 ? -10.955 19.703 -45.570 1.00 17.58 ? 343 ILE C CD1 1 ATOM 6935 N N . PHE C 1 342 ? -12.577 19.376 -39.964 1.00 20.95 ? 344 PHE C N 1 ATOM 6936 C CA . PHE C 1 342 ? -12.172 19.407 -38.567 1.00 22.43 ? 344 PHE C CA 1 ATOM 6937 C C . PHE C 1 342 ? -11.013 18.457 -38.295 1.00 20.47 ? 344 PHE C C 1 ATOM 6938 O O . PHE C 1 342 ? -11.025 17.307 -38.734 1.00 17.94 ? 344 PHE C O 1 ATOM 6939 C CB . PHE C 1 342 ? -13.355 19.072 -37.656 1.00 21.91 ? 344 PHE C CB 1 ATOM 6940 C CG . PHE C 1 342 ? -13.080 19.323 -36.197 1.00 20.93 ? 344 PHE C CG 1 ATOM 6941 C CD1 . PHE C 1 342 ? -12.971 18.265 -35.305 1.00 19.89 ? 344 PHE C CD1 1 ATOM 6942 C CD2 . PHE C 1 342 ? -12.901 20.617 -35.724 1.00 17.47 ? 344 PHE C CD2 1 ATOM 6943 C CE1 . PHE C 1 342 ? -12.713 18.493 -33.958 1.00 19.81 ? 344 PHE C CE1 1 ATOM 6944 C CE2 . PHE C 1 342 ? -12.642 20.853 -34.380 1.00 17.75 ? 344 PHE C CE2 1 ATOM 6945 C CZ . PHE C 1 342 ? -12.546 19.789 -33.498 1.00 18.23 ? 344 PHE C CZ 1 ATOM 6946 N N . ILE C 1 343 ? -10.008 18.960 -37.581 1.00 20.39 ? 345 ILE C N 1 ATOM 6947 C CA . ILE C 1 343 ? -8.853 18.159 -37.182 1.00 20.76 ? 345 ILE C CA 1 ATOM 6948 C C . ILE C 1 343 ? -8.903 17.902 -35.680 1.00 20.10 ? 345 ILE C C 1 ATOM 6949 O O . ILE C 1 343 ? -8.860 18.835 -34.876 1.00 17.98 ? 345 ILE C O 1 ATOM 6950 C CB . ILE C 1 343 ? -7.518 18.837 -37.549 1.00 17.35 ? 345 ILE C CB 1 ATOM 6951 C CG1 . ILE C 1 343 ? -7.299 18.805 -39.061 1.00 19.62 ? 345 ILE C CG1 1 ATOM 6952 C CG2 . ILE C 1 343 ? -6.361 18.126 -36.864 1.00 17.50 ? 345 ILE C CG2 1 ATOM 6953 C CD1 . ILE C 1 343 ? -8.023 19.885 -39.819 1.00 23.90 ? 345 ILE C CD1 1 ATOM 6954 N N . LYS C 1 344 ? -8.996 16.628 -35.314 1.00 19.83 ? 346 LYS C N 1 ATOM 6955 C CA . LYS C 1 344 ? -9.260 16.237 -33.929 1.00 23.69 ? 346 LYS C CA 1 ATOM 6956 C C . LYS C 1 344 ? -8.203 15.289 -33.367 1.00 20.93 ? 346 LYS C C 1 ATOM 6957 O O . LYS C 1 344 ? -7.763 14.374 -34.059 1.00 24.03 ? 346 LYS C O 1 ATOM 6958 C CB . LYS C 1 344 ? -10.636 15.577 -33.844 1.00 19.10 ? 346 LYS C CB 1 ATOM 6959 C CG . LYS C 1 344 ? -11.204 15.452 -32.459 1.00 19.28 ? 346 LYS C CG 1 ATOM 6960 C CD . LYS C 1 344 ? -12.634 14.947 -32.545 1.00 25.21 ? 346 LYS C CD 1 ATOM 6961 C CE . LYS C 1 344 ? -13.290 14.835 -31.178 1.00 22.32 ? 346 LYS C CE 1 ATOM 6962 N NZ . LYS C 1 344 ? -14.675 14.294 -31.301 1.00 24.61 ? 346 LYS C NZ 1 ATOM 6963 N N . LYS C 1 345 ? -7.803 15.508 -32.115 1.00 22.67 ? 347 LYS C N 1 ATOM 6964 C CA . LYS C 1 345 ? -6.926 14.568 -31.405 1.00 24.20 ? 347 LYS C CA 1 ATOM 6965 C C . LYS C 1 345 ? -7.683 13.313 -30.921 1.00 26.95 ? 347 LYS C C 1 ATOM 6966 O O . LYS C 1 345 ? -8.903 13.344 -30.722 1.00 22.76 ? 347 LYS C O 1 ATOM 6967 C CB . LYS C 1 345 ? -6.255 15.260 -30.217 1.00 24.48 ? 347 LYS C CB 1 ATOM 6968 C CG . LYS C 1 345 ? -4.949 15.969 -30.550 1.00 22.30 ? 347 LYS C CG 1 ATOM 6969 C CD . LYS C 1 345 ? -4.532 16.962 -29.456 1.00 22.79 ? 347 LYS C CD 1 ATOM 6970 C CE . LYS C 1 345 ? -4.417 16.314 -28.069 1.00 25.99 ? 347 LYS C CE 1 ATOM 6971 N NZ . LYS C 1 345 ? -3.408 15.206 -28.011 1.00 25.29 ? 347 LYS C NZ 1 ATOM 6972 N N . THR C 1 346 ? -6.954 12.209 -30.754 1.00 26.99 ? 348 THR C N 1 ATOM 6973 C CA . THR C 1 346 ? -7.537 10.966 -30.241 1.00 28.75 ? 348 THR C CA 1 ATOM 6974 C C . THR C 1 346 ? -7.236 10.789 -28.761 1.00 25.17 ? 348 THR C C 1 ATOM 6975 O O . THR C 1 346 ? -7.821 9.940 -28.096 1.00 30.92 ? 348 THR C O 1 ATOM 6976 C CB . THR C 1 346 ? -7.021 9.727 -31.004 1.00 27.89 ? 348 THR C CB 1 ATOM 6977 O OG1 . THR C 1 346 ? -5.626 9.534 -30.727 1.00 24.08 ? 348 THR C OG1 1 ATOM 6978 C CG2 . THR C 1 346 ? -7.243 9.890 -32.518 1.00 25.56 ? 348 THR C CG2 1 ATOM 6979 N N . THR C 1 347 ? -6.316 11.598 -28.247 1.00 29.47 ? 349 THR C N 1 ATOM 6980 C CA . THR C 1 347 ? -5.930 11.517 -26.842 1.00 31.08 ? 349 THR C CA 1 ATOM 6981 C C . THR C 1 347 ? -6.104 12.886 -26.181 1.00 27.03 ? 349 THR C C 1 ATOM 6982 O O . THR C 1 347 ? -6.301 13.897 -26.866 1.00 26.48 ? 349 THR C O 1 ATOM 6983 C CB . THR C 1 347 ? -4.469 11.010 -26.691 1.00 28.42 ? 349 THR C CB 1 ATOM 6984 O OG1 . THR C 1 347 ? -3.565 11.956 -27.266 1.00 29.86 ? 349 THR C OG1 1 ATOM 6985 C CG2 . THR C 1 347 ? -4.295 9.673 -27.412 1.00 26.25 ? 349 THR C CG2 1 ATOM 6986 N N . PRO C 1 348 ? -6.082 12.932 -24.844 1.00 31.37 ? 350 PRO C N 1 ATOM 6987 C CA . PRO C 1 348 ? -6.163 14.281 -24.267 1.00 28.92 ? 350 PRO C CA 1 ATOM 6988 C C . PRO C 1 348 ? -4.910 15.105 -24.537 1.00 27.72 ? 350 PRO C C 1 ATOM 6989 O O . PRO C 1 348 ? -3.863 14.564 -24.905 1.00 26.63 ? 350 PRO C O 1 ATOM 6990 C CB . PRO C 1 348 ? -6.335 14.023 -22.763 1.00 24.58 ? 350 PRO C CB 1 ATOM 6991 C CG . PRO C 1 348 ? -5.985 12.577 -22.557 1.00 31.94 ? 350 PRO C CG 1 ATOM 6992 C CD . PRO C 1 348 ? -6.290 11.875 -23.839 1.00 28.46 ? 350 PRO C CD 1 ATOM 6993 N N . TYR C 1 349 ? -5.035 16.414 -24.362 1.00 25.69 ? 351 TYR C N 1 ATOM 6994 C CA . TYR C 1 349 ? -3.922 17.337 -24.535 1.00 20.95 ? 351 TYR C CA 1 ATOM 6995 C C . TYR C 1 349 ? -2.980 17.261 -23.345 1.00 19.10 ? 351 TYR C C 1 ATOM 6996 O O . TYR C 1 349 ? -3.380 17.554 -22.219 1.00 22.68 ? 351 TYR C O 1 ATOM 6997 C CB . TYR C 1 349 ? -4.442 18.775 -24.704 1.00 19.93 ? 351 TYR C CB 1 ATOM 6998 C CG . TYR C 1 349 ? -3.445 19.733 -25.317 1.00 25.49 ? 351 TYR C CG 1 ATOM 6999 C CD1 . TYR C 1 349 ? -3.530 20.087 -26.666 1.00 23.27 ? 351 TYR C CD1 1 ATOM 7000 C CD2 . TYR C 1 349 ? -2.423 20.296 -24.554 1.00 18.27 ? 351 TYR C CD2 1 ATOM 7001 C CE1 . TYR C 1 349 ? -2.629 20.969 -27.237 1.00 21.71 ? 351 TYR C CE1 1 ATOM 7002 C CE2 . TYR C 1 349 ? -1.513 21.176 -25.120 1.00 21.52 ? 351 TYR C CE2 1 ATOM 7003 C CZ . TYR C 1 349 ? -1.615 21.509 -26.464 1.00 22.46 ? 351 TYR C CZ 1 ATOM 7004 O OH . TYR C 1 349 ? -0.710 22.386 -27.033 1.00 17.20 ? 351 TYR C OH 1 ATOM 7005 N N . VAL C 1 350 ? -1.731 16.877 -23.590 1.00 22.46 ? 352 VAL C N 1 ATOM 7006 C CA . VAL C 1 350 ? -0.704 16.909 -22.552 1.00 19.85 ? 352 VAL C CA 1 ATOM 7007 C C . VAL C 1 350 ? 0.517 17.658 -23.072 1.00 22.49 ? 352 VAL C C 1 ATOM 7008 O O . VAL C 1 350 ? 1.239 17.154 -23.936 1.00 21.79 ? 352 VAL C O 1 ATOM 7009 C CB . VAL C 1 350 ? -0.298 15.480 -22.104 1.00 25.92 ? 352 VAL C CB 1 ATOM 7010 C CG1 . VAL C 1 350 ? 0.781 15.536 -21.026 1.00 18.27 ? 352 VAL C CG1 1 ATOM 7011 C CG2 . VAL C 1 350 ? -1.520 14.712 -21.599 1.00 26.45 ? 352 VAL C CG2 1 ATOM 7012 N N . GLY C 1 351 ? 0.739 18.862 -22.549 1.00 23.57 ? 353 GLY C N 1 ATOM 7013 C CA . GLY C 1 351 ? 1.782 19.742 -23.046 1.00 23.34 ? 353 GLY C CA 1 ATOM 7014 C C . GLY C 1 351 ? 3.174 19.476 -22.493 1.00 26.03 ? 353 GLY C C 1 ATOM 7015 O O . GLY C 1 351 ? 3.341 18.718 -21.540 1.00 30.11 ? 353 GLY C O 1 ATOM 7016 N N . GLU C 1 352 ? 4.174 20.111 -23.103 1.00 28.21 ? 354 GLU C N 1 ATOM 7017 C CA . GLU C 1 352 ? 5.575 19.951 -22.713 1.00 26.87 ? 354 GLU C CA 1 ATOM 7018 C C . GLU C 1 352 ? 6.033 21.094 -21.805 1.00 32.52 ? 354 GLU C C 1 ATOM 7019 O O . GLU C 1 352 ? 6.476 20.861 -20.681 1.00 36.48 ? 354 GLU C O 1 ATOM 7020 C CB . GLU C 1 352 ? 6.463 19.871 -23.959 1.00 27.51 ? 354 GLU C CB 1 ATOM 7021 C CG . GLU C 1 352 ? 7.954 19.906 -23.680 1.00 30.95 ? 354 GLU C CG 1 ATOM 7022 C CD . GLU C 1 352 ? 8.803 20.009 -24.953 1.00 30.82 ? 354 GLU C CD 1 ATOM 7023 O OE1 . GLU C 1 352 ? 10.041 20.034 -24.832 1.00 36.22 ? 354 GLU C OE1 1 ATOM 7024 O OE2 . GLU C 1 352 ? 8.249 20.060 -26.067 1.00 29.15 ? 354 GLU C OE2 1 ATOM 7025 N N . ALA C 1 353 ? 5.922 22.326 -22.295 1.00 30.79 ? 355 ALA C N 1 ATOM 7026 C CA . ALA C 1 353 ? 6.287 23.508 -21.513 1.00 31.02 ? 355 ALA C CA 1 ATOM 7027 C C . ALA C 1 353 ? 5.480 23.576 -20.220 1.00 30.63 ? 355 ALA C C 1 ATOM 7028 O O . ALA C 1 353 ? 5.994 23.933 -19.169 1.00 31.79 ? 355 ALA C O 1 ATOM 7029 C CB . ALA C 1 353 ? 6.083 24.774 -22.332 1.00 23.93 ? 355 ALA C CB 1 ATOM 7030 N N . ASP C 1 354 ? 4.202 23.243 -20.324 1.00 29.40 ? 356 ASP C N 1 ATOM 7031 C CA . ASP C 1 354 ? 3.331 23.063 -19.169 1.00 26.00 ? 356 ASP C CA 1 ATOM 7032 C C . ASP C 1 354 ? 2.221 22.158 -19.645 1.00 24.79 ? 356 ASP C C 1 ATOM 7033 O O . ASP C 1 354 ? 2.171 21.843 -20.833 1.00 27.85 ? 356 ASP C O 1 ATOM 7034 C CB . ASP C 1 354 ? 2.790 24.394 -18.633 1.00 22.44 ? 356 ASP C CB 1 ATOM 7035 C CG . ASP C 1 354 ? 2.209 25.279 -19.726 1.00 27.59 ? 356 ASP C CG 1 ATOM 7036 O OD1 . ASP C 1 354 ? 2.484 26.499 -19.714 1.00 38.48 ? 356 ASP C OD1 1 ATOM 7037 O OD2 . ASP C 1 354 ? 1.478 24.768 -20.596 1.00 25.98 ? 356 ASP C OD2 1 ATOM 7038 N N . ASP C 1 355 ? 1.341 21.745 -18.738 1.00 27.04 ? 357 ASP C N 1 ATOM 7039 C CA . ASP C 1 355 ? 0.222 20.866 -19.075 1.00 28.30 ? 357 ASP C CA 1 ATOM 7040 C C . ASP C 1 355 ? -0.542 21.296 -20.330 1.00 28.17 ? 357 ASP C C 1 ATOM 7041 O O . ASP C 1 355 ? -1.033 20.461 -21.081 1.00 23.59 ? 357 ASP C O 1 ATOM 7042 C CB . ASP C 1 355 ? -0.754 20.784 -17.897 1.00 33.97 ? 357 ASP C CB 1 ATOM 7043 C CG . ASP C 1 355 ? -0.113 20.208 -16.636 1.00 50.63 ? 357 ASP C CG 1 ATOM 7044 O OD1 . ASP C 1 355 ? 0.651 19.226 -16.748 1.00 51.69 ? 357 ASP C OD1 1 ATOM 7045 O OD2 . ASP C 1 355 ? -0.368 20.740 -15.529 1.00 58.76 ? 357 ASP C OD2 1 ATOM 7046 N N . ASN C 1 356 ? -0.624 22.598 -20.571 1.00 22.72 ? 358 ASN C N 1 ATOM 7047 C CA . ASN C 1 356 ? -1.509 23.088 -21.612 1.00 23.83 ? 358 ASN C CA 1 ATOM 7048 C C . ASN C 1 356 ? -0.836 23.558 -22.901 1.00 22.22 ? 358 ASN C C 1 ATOM 7049 O O . ASN C 1 356 ? -1.512 24.074 -23.783 1.00 25.05 ? 358 ASN C O 1 ATOM 7050 C CB . ASN C 1 356 ? -2.378 24.213 -21.040 1.00 24.07 ? 358 ASN C CB 1 ATOM 7051 C CG . ASN C 1 356 ? -3.384 23.701 -20.015 1.00 23.37 ? 358 ASN C CG 1 ATOM 7052 O OD1 . ASN C 1 356 ? -4.285 22.929 -20.348 1.00 23.78 ? 358 ASN C OD1 1 ATOM 7053 N ND2 . ASN C 1 356 ? -3.229 24.121 -18.767 1.00 22.47 ? 358 ASN C ND2 1 ATOM 7054 N N . HIS C 1 357 ? 0.471 23.358 -23.037 1.00 24.36 ? 359 HIS C N 1 ATOM 7055 C CA . HIS C 1 357 ? 1.166 23.814 -24.244 1.00 20.69 ? 359 HIS C CA 1 ATOM 7056 C C . HIS C 1 357 ? 2.221 22.852 -24.783 1.00 23.25 ? 359 HIS C C 1 ATOM 7057 O O . HIS C 1 357 ? 3.181 22.506 -24.090 1.00 25.81 ? 359 HIS C O 1 ATOM 7058 C CB . HIS C 1 357 ? 1.830 25.162 -23.984 1.00 19.92 ? 359 HIS C CB 1 ATOM 7059 C CG . HIS C 1 357 ? 0.877 26.238 -23.578 1.00 23.59 ? 359 HIS C CG 1 ATOM 7060 N ND1 . HIS C 1 357 ? 0.343 26.325 -22.308 1.00 24.98 ? 359 HIS C ND1 1 ATOM 7061 C CD2 . HIS C 1 357 ? 0.371 27.287 -24.269 1.00 24.81 ? 359 HIS C CD2 1 ATOM 7062 C CE1 . HIS C 1 357 ? -0.456 27.374 -22.239 1.00 29.77 ? 359 HIS C CE1 1 ATOM 7063 N NE2 . HIS C 1 357 ? -0.454 27.974 -23.415 1.00 30.00 ? 359 HIS C NE2 1 ATOM 7064 N N . GLY C 1 358 ? 2.055 22.446 -26.038 1.00 26.30 ? 360 GLY C N 1 ATOM 7065 C CA . GLY C 1 358 ? 3.056 21.639 -26.716 1.00 24.56 ? 360 GLY C CA 1 ATOM 7066 C C . GLY C 1 358 ? 2.750 20.162 -26.600 1.00 24.97 ? 360 GLY C C 1 ATOM 7067 O O . GLY C 1 358 ? 3.456 19.421 -25.923 1.00 23.49 ? 360 GLY C O 1 ATOM 7068 N N . ASP C 1 359 ? 1.690 19.745 -27.282 1.00 20.24 ? 361 ASP C N 1 ATOM 7069 C CA . ASP C 1 359 ? 1.209 18.375 -27.223 1.00 18.93 ? 361 ASP C CA 1 ATOM 7070 C C . ASP C 1 359 ? 1.788 17.527 -28.351 1.00 21.72 ? 361 ASP C C 1 ATOM 7071 O O . ASP C 1 359 ? 1.783 17.938 -29.511 1.00 17.90 ? 361 ASP C O 1 ATOM 7072 C CB . ASP C 1 359 ? -0.315 18.372 -27.275 1.00 20.11 ? 361 ASP C CB 1 ATOM 7073 C CG . ASP C 1 359 ? -0.896 16.983 -27.218 1.00 22.29 ? 361 ASP C CG 1 ATOM 7074 O OD1 . ASP C 1 359 ? -1.129 16.482 -26.094 1.00 23.75 ? 361 ASP C OD1 1 ATOM 7075 O OD2 . ASP C 1 359 ? -1.126 16.403 -28.297 1.00 19.61 ? 361 ASP C OD2 1 ATOM 7076 N N . ILE C 1 360 ? 2.285 16.341 -28.007 1.00 25.51 ? 362 ILE C N 1 ATOM 7077 C CA . ILE C 1 360 ? 2.960 15.471 -28.977 1.00 19.19 ? 362 ILE C CA 1 ATOM 7078 C C . ILE C 1 360 ? 2.041 15.047 -30.118 1.00 22.43 ? 362 ILE C C 1 ATOM 7079 O O . ILE C 1 360 ? 2.425 15.125 -31.282 1.00 23.04 ? 362 ILE C O 1 ATOM 7080 C CB . ILE C 1 360 ? 3.536 14.214 -28.287 1.00 24.69 ? 362 ILE C CB 1 ATOM 7081 C CG1 . ILE C 1 360 ? 4.828 14.575 -27.560 1.00 30.10 ? 362 ILE C CG1 1 ATOM 7082 C CG2 . ILE C 1 360 ? 3.811 13.094 -29.287 1.00 19.70 ? 362 ILE C CG2 1 ATOM 7083 C CD1 . ILE C 1 360 ? 5.375 13.452 -26.747 1.00 34.92 ? 362 ILE C CD1 1 ATOM 7084 N N . GLU C 1 361 ? 0.825 14.615 -29.796 1.00 24.37 ? 363 GLU C N 1 ATOM 7085 C CA . GLU C 1 361 ? -0.091 14.171 -30.842 1.00 26.25 ? 363 GLU C CA 1 ATOM 7086 C C . GLU C 1 361 ? -0.433 15.331 -31.772 1.00 25.40 ? 363 GLU C C 1 ATOM 7087 O O . GLU C 1 361 ? -0.449 15.162 -32.995 1.00 26.53 ? 363 GLU C O 1 ATOM 7088 C CB . GLU C 1 361 ? -1.378 13.571 -30.257 1.00 23.30 ? 363 GLU C CB 1 ATOM 7089 C CG . GLU C 1 361 ? -2.285 12.945 -31.323 1.00 20.17 ? 363 GLU C CG 1 ATOM 7090 C CD . GLU C 1 361 ? -3.681 12.633 -30.806 1.00 26.27 ? 363 GLU C CD 1 ATOM 7091 O OE1 . GLU C 1 361 ? -3.978 12.967 -29.638 1.00 32.00 ? 363 GLU C OE1 1 ATOM 7092 O OE2 . GLU C 1 361 ? -4.488 12.058 -31.564 1.00 26.98 ? 363 GLU C OE2 1 ATOM 7093 N N . MET C 1 362 ? -0.683 16.507 -31.194 1.00 19.13 ? 364 MET C N 1 ATOM 7094 C CA . MET C 1 362 ? -1.081 17.667 -31.987 1.00 20.95 ? 364 MET C CA 1 ATOM 7095 C C . MET C 1 362 ? 0.063 18.097 -32.889 1.00 21.60 ? 364 MET C C 1 ATOM 7096 O O . MET C 1 362 ? -0.159 18.417 -34.058 1.00 20.88 ? 364 MET C O 1 ATOM 7097 C CB . MET C 1 362 ? -1.522 18.831 -31.101 1.00 18.89 ? 364 MET C CB 1 ATOM 7098 C CG . MET C 1 362 ? -2.073 20.015 -31.893 1.00 18.27 ? 364 MET C CG 1 ATOM 7099 S SD . MET C 1 362 ? -3.663 19.659 -32.678 1.00 20.92 ? 364 MET C SD 1 ATOM 7100 C CE . MET C 1 362 ? -4.810 20.092 -31.367 1.00 14.02 ? 364 MET C CE 1 ATOM 7101 N N . ARG C 1 363 ? 1.286 18.078 -32.352 1.00 23.28 ? 365 ARG C N 1 ATOM 7102 C CA . ARG C 1 363 ? 2.468 18.389 -33.147 1.00 24.07 ? 365 ARG C CA 1 ATOM 7103 C C . ARG C 1 363 ? 2.515 17.441 -34.342 1.00 26.89 ? 365 ARG C C 1 ATOM 7104 O O . ARG C 1 363 ? 2.794 17.861 -35.464 1.00 26.82 ? 365 ARG C O 1 ATOM 7105 C CB . ARG C 1 363 ? 3.752 18.313 -32.300 1.00 25.69 ? 365 ARG C CB 1 ATOM 7106 C CG . ARG C 1 363 ? 3.799 19.396 -31.210 1.00 24.05 ? 365 ARG C CG 1 ATOM 7107 C CD . ARG C 1 363 ? 5.188 19.860 -30.850 1.00 20.01 ? 365 ARG C CD 1 ATOM 7108 N NE . ARG C 1 363 ? 5.731 19.155 -29.709 1.00 27.29 ? 365 ARG C NE 1 ATOM 7109 C CZ . ARG C 1 363 ? 6.061 19.722 -28.555 1.00 26.74 ? 365 ARG C CZ 1 ATOM 7110 N NH1 . ARG C 1 363 ? 5.918 21.028 -28.370 1.00 22.31 ? 365 ARG C NH1 1 ATOM 7111 N NH2 . ARG C 1 363 ? 6.553 18.970 -27.583 1.00 24.01 ? 365 ARG C NH2 1 ATOM 7112 N N . GLN C 1 364 ? 2.173 16.177 -34.117 1.00 22.79 ? 366 GLN C N 1 ATOM 7113 C CA . GLN C 1 364 ? 2.083 15.224 -35.219 1.00 25.77 ? 366 GLN C CA 1 ATOM 7114 C C . GLN C 1 364 ? 0.930 15.556 -36.182 1.00 26.14 ? 366 GLN C C 1 ATOM 7115 O O . GLN C 1 364 ? 1.106 15.501 -37.397 1.00 25.35 ? 366 GLN C O 1 ATOM 7116 C CB . GLN C 1 364 ? 1.928 13.801 -34.681 1.00 25.68 ? 366 GLN C CB 1 ATOM 7117 C CG . GLN C 1 364 ? 1.891 12.727 -35.760 1.00 41.63 ? 366 GLN C CG 1 ATOM 7118 C CD . GLN C 1 364 ? 3.188 12.623 -36.546 1.00 54.61 ? 366 GLN C CD 1 ATOM 7119 O OE1 . GLN C 1 364 ? 3.305 13.156 -37.651 1.00 67.09 ? 366 GLN C OE1 1 ATOM 7120 N NE2 . GLN C 1 364 ? 4.167 11.923 -35.982 1.00 57.84 ? 366 GLN C NE2 1 ATOM 7121 N N . LEU C 1 365 ? -0.237 15.916 -35.653 1.00 22.27 ? 367 LEU C N 1 ATOM 7122 C CA . LEU C 1 365 ? -1.381 16.222 -36.520 1.00 25.45 ? 367 LEU C CA 1 ATOM 7123 C C . LEU C 1 365 ? -1.206 17.523 -37.327 1.00 24.17 ? 367 LEU C C 1 ATOM 7124 O O . LEU C 1 365 ? -1.786 17.670 -38.399 1.00 20.45 ? 367 LEU C O 1 ATOM 7125 C CB . LEU C 1 365 ? -2.670 16.296 -35.699 1.00 24.81 ? 367 LEU C CB 1 ATOM 7126 C CG . LEU C 1 365 ? -3.271 14.962 -35.240 1.00 26.21 ? 367 LEU C CG 1 ATOM 7127 C CD1 . LEU C 1 365 ? -4.379 15.221 -34.239 1.00 26.28 ? 367 LEU C CD1 1 ATOM 7128 C CD2 . LEU C 1 365 ? -3.807 14.159 -36.428 1.00 26.55 ? 367 LEU C CD2 1 ATOM 7129 N N . LEU C 1 366 ? -0.396 18.453 -36.826 1.00 24.51 ? 368 LEU C N 1 ATOM 7130 C CA . LEU C 1 366 ? -0.165 19.713 -37.537 1.00 22.94 ? 368 LEU C CA 1 ATOM 7131 C C . LEU C 1 366 ? 1.127 19.708 -38.357 1.00 20.79 ? 368 LEU C C 1 ATOM 7132 O O . LEU C 1 366 ? 1.366 20.629 -39.134 1.00 19.21 ? 368 LEU C O 1 ATOM 7133 C CB . LEU C 1 366 ? -0.147 20.888 -36.552 1.00 17.67 ? 368 LEU C CB 1 ATOM 7134 C CG . LEU C 1 366 ? -1.464 21.132 -35.808 1.00 18.80 ? 368 LEU C CG 1 ATOM 7135 C CD1 . LEU C 1 366 ? -1.383 22.395 -34.945 1.00 17.99 ? 368 LEU C CD1 1 ATOM 7136 C CD2 . LEU C 1 366 ? -2.653 21.197 -36.776 1.00 13.01 ? 368 LEU C CD2 1 ATOM 7137 N N . SER C 1 367 ? 1.941 18.662 -38.210 1.00 22.37 ? 369 SER C N 1 ATOM 7138 C CA . SER C 1 367 ? 3.238 18.607 -38.894 1.00 22.89 ? 369 SER C CA 1 ATOM 7139 C C . SER C 1 367 ? 3.108 18.704 -40.421 1.00 19.94 ? 369 SER C C 1 ATOM 7140 O O . SER C 1 367 ? 4.028 19.165 -41.087 1.00 20.70 ? 369 SER C O 1 ATOM 7141 C CB . SER C 1 367 ? 4.004 17.331 -38.508 1.00 20.97 ? 369 SER C CB 1 ATOM 7142 O OG . SER C 1 367 ? 3.452 16.172 -39.112 1.00 28.17 ? 369 SER C OG 1 ATOM 7143 N N . GLY C 1 368 ? 1.958 18.313 -40.968 1.00 23.59 ? 370 GLY C N 1 ATOM 7144 C CA . GLY C 1 368 ? 1.735 18.377 -42.409 1.00 20.00 ? 370 GLY C CA 1 ATOM 7145 C C . GLY C 1 368 ? 1.705 19.781 -43.008 1.00 25.03 ? 370 GLY C C 1 ATOM 7146 O O . GLY C 1 368 ? 1.702 19.945 -44.232 1.00 21.58 ? 370 GLY C O 1 ATOM 7147 N N . LEU C 1 369 ? 1.729 20.799 -42.149 1.00 27.78 ? 371 LEU C N 1 ATOM 7148 C CA . LEU C 1 369 ? 1.422 22.171 -42.568 1.00 25.82 ? 371 LEU C CA 1 ATOM 7149 C C . LEU C 1 369 ? 2.478 23.118 -43.196 1.00 22.91 ? 371 LEU C C 1 ATOM 7150 O O . LEU C 1 369 ? 2.069 24.138 -43.738 1.00 34.90 ? 371 LEU C O 1 ATOM 7151 C CB . LEU C 1 369 ? 0.841 22.929 -41.365 1.00 28.62 ? 371 LEU C CB 1 ATOM 7152 C CG . LEU C 1 369 ? -0.670 22.891 -41.114 1.00 28.14 ? 371 LEU C CG 1 ATOM 7153 C CD1 . LEU C 1 369 ? -0.997 23.795 -39.950 1.00 24.52 ? 371 LEU C CD1 1 ATOM 7154 C CD2 . LEU C 1 369 ? -1.467 23.289 -42.343 1.00 23.04 ? 371 LEU C CD2 1 ATOM 7155 N N . GLY C 1 370 ? 3.782 22.859 -43.197 1.00 19.05 ? 372 GLY C N 1 ATOM 7156 C CA . GLY C 1 370 ? 4.437 21.603 -42.965 1.00 19.43 ? 372 GLY C CA 1 ATOM 7157 C C . GLY C 1 370 ? 5.165 21.242 -44.251 1.00 28.53 ? 372 GLY C C 1 ATOM 7158 O O . GLY C 1 370 ? 6.251 21.757 -44.532 1.00 25.28 ? 372 GLY C O 1 ATOM 7159 N N . ASN C 1 371 ? 4.526 20.389 -45.049 1.00 23.60 ? 373 ASN C N 1 ATOM 7160 C CA . ASN C 1 371 ? 5.148 19.755 -46.196 1.00 23.89 ? 373 ASN C CA 1 ATOM 7161 C C . ASN C 1 371 ? 5.083 20.556 -47.496 1.00 26.10 ? 373 ASN C C 1 ATOM 7162 O O . ASN C 1 371 ? 4.255 21.460 -47.654 1.00 21.23 ? 373 ASN C O 1 ATOM 7163 C CB . ASN C 1 371 ? 4.505 18.387 -46.423 1.00 25.41 ? 373 ASN C CB 1 ATOM 7164 C CG . ASN C 1 371 ? 4.549 17.514 -45.193 1.00 27.20 ? 373 ASN C CG 1 ATOM 7165 O OD1 . ASN C 1 371 ? 5.170 17.867 -44.186 1.00 28.03 ? 373 ASN C OD1 1 ATOM 7166 N ND2 . ASN C 1 371 ? 3.908 16.352 -45.271 1.00 21.46 ? 373 ASN C ND2 1 ATOM 7167 N N . ASN C 1 372 ? 5.944 20.187 -48.440 1.00 23.50 ? 374 ASN C N 1 ATOM 7168 C CA . ASN C 1 372 ? 6.004 20.867 -49.724 1.00 29.89 ? 374 ASN C CA 1 ATOM 7169 C C . ASN C 1 372 ? 5.329 20.067 -50.837 1.00 32.73 ? 374 ASN C C 1 ATOM 7170 O O . ASN C 1 372 ? 5.267 20.515 -51.988 1.00 31.80 ? 374 ASN C O 1 ATOM 7171 C CB . ASN C 1 372 ? 7.466 21.165 -50.098 1.00 27.16 ? 374 ASN C CB 1 ATOM 7172 C CG . ASN C 1 372 ? 8.301 19.902 -50.255 1.00 36.72 ? 374 ASN C CG 1 ATOM 7173 O OD1 . ASN C 1 372 ? 7.915 18.823 -49.801 1.00 31.99 ? 374 ASN C OD1 1 ATOM 7174 N ND2 . ASN C 1 372 ? 9.458 20.035 -50.900 1.00 44.96 ? 374 ASN C ND2 1 ATOM 7175 N N . ASP C 1 373 ? 4.808 18.891 -50.489 1.00 31.90 ? 375 ASP C N 1 ATOM 7176 C CA . ASP C 1 373 ? 4.346 17.943 -51.501 1.00 32.23 ? 375 ASP C CA 1 ATOM 7177 C C . ASP C 1 373 ? 2.932 17.399 -51.260 1.00 32.98 ? 375 ASP C C 1 ATOM 7178 O O . ASP C 1 373 ? 2.598 16.313 -51.733 1.00 32.97 ? 375 ASP C O 1 ATOM 7179 C CB . ASP C 1 373 ? 5.336 16.774 -51.608 1.00 26.74 ? 375 ASP C CB 1 ATOM 7180 C CG . ASP C 1 373 ? 5.638 16.135 -50.259 1.00 30.80 ? 375 ASP C CG 1 ATOM 7181 O OD1 . ASP C 1 373 ? 6.501 15.233 -50.190 1.00 32.71 ? 375 ASP C OD1 1 ATOM 7182 O OD2 . ASP C 1 373 ? 5.010 16.535 -49.261 1.00 33.13 ? 375 ASP C OD2 1 ATOM 7183 N N . THR C 1 374 ? 2.104 18.152 -50.541 1.00 32.65 ? 376 THR C N 1 ATOM 7184 C CA . THR C 1 374 ? 0.694 17.792 -50.381 1.00 29.52 ? 376 THR C CA 1 ATOM 7185 C C . THR C 1 374 ? -0.129 18.279 -51.581 1.00 26.59 ? 376 THR C C 1 ATOM 7186 O O . THR C 1 374 ? -0.043 19.449 -51.939 1.00 25.95 ? 376 THR C O 1 ATOM 7187 C CB . THR C 1 374 ? 0.089 18.389 -49.085 1.00 24.21 ? 376 THR C CB 1 ATOM 7188 O OG1 . THR C 1 374 ? 0.723 17.815 -47.937 1.00 26.68 ? 376 THR C OG1 1 ATOM 7189 C CG2 . THR C 1 374 ? -1.422 18.117 -49.019 1.00 23.55 ? 376 THR C CG2 1 ATOM 7190 N N . VAL C 1 375 ? -0.925 17.394 -52.191 1.00 23.22 ? 377 VAL C N 1 ATOM 7191 C CA . VAL C 1 375 ? -1.760 17.768 -53.339 1.00 18.50 ? 377 VAL C CA 1 ATOM 7192 C C . VAL C 1 375 ? -3.262 17.752 -53.033 1.00 18.04 ? 377 VAL C C 1 ATOM 7193 O O . VAL C 1 375 ? -4.045 18.374 -53.739 1.00 19.43 ? 377 VAL C O 1 ATOM 7194 C CB . VAL C 1 375 ? -1.518 16.841 -54.551 1.00 22.38 ? 377 VAL C CB 1 ATOM 7195 C CG1 . VAL C 1 375 ? -0.058 16.837 -54.928 1.00 19.94 ? 377 VAL C CG1 1 ATOM 7196 C CG2 . VAL C 1 375 ? -2.011 15.419 -54.256 1.00 22.79 ? 377 VAL C CG2 1 ATOM 7197 N N . CYS C 1 376 ? -3.660 17.039 -51.985 1.00 21.08 ? 378 CYS C N 1 ATOM 7198 C CA . CYS C 1 376 ? -5.070 16.921 -51.630 1.00 22.13 ? 378 CYS C CA 1 ATOM 7199 C C . CYS C 1 376 ? -5.273 17.057 -50.125 1.00 20.50 ? 378 CYS C C 1 ATOM 7200 O O . CYS C 1 376 ? -4.587 16.413 -49.348 1.00 19.33 ? 378 CYS C O 1 ATOM 7201 C CB . CYS C 1 376 ? -5.638 15.576 -52.116 1.00 22.20 ? 378 CYS C CB 1 ATOM 7202 S SG . CYS C 1 376 ? -7.374 15.274 -51.673 1.00 22.65 ? 378 CYS C SG 1 ATOM 7203 N N . VAL C 1 377 ? -6.219 17.895 -49.721 1.00 21.10 ? 379 VAL C N 1 ATOM 7204 C CA . VAL C 1 377 ? -6.614 17.983 -48.318 1.00 22.17 ? 379 VAL C CA 1 ATOM 7205 C C . VAL C 1 377 ? -8.073 17.546 -48.169 1.00 19.65 ? 379 VAL C C 1 ATOM 7206 O O . VAL C 1 377 ? -8.941 18.045 -48.880 1.00 21.46 ? 379 VAL C O 1 ATOM 7207 C CB . VAL C 1 377 ? -6.440 19.413 -47.763 1.00 19.09 ? 379 VAL C CB 1 ATOM 7208 C CG1 . VAL C 1 377 ? -6.952 19.498 -46.347 1.00 18.99 ? 379 VAL C CG1 1 ATOM 7209 C CG2 . VAL C 1 377 ? -4.987 19.837 -47.838 1.00 20.57 ? 379 VAL C CG2 1 ATOM 7210 N N . SER C 1 378 ? -8.335 16.610 -47.257 1.00 19.72 ? 380 SER C N 1 ATOM 7211 C CA . SER C 1 378 ? -9.682 16.086 -47.064 1.00 19.53 ? 380 SER C CA 1 ATOM 7212 C C . SER C 1 378 ? -10.030 15.951 -45.584 1.00 23.24 ? 380 SER C C 1 ATOM 7213 O O . SER C 1 378 ? -9.189 16.164 -44.713 1.00 21.38 ? 380 SER C O 1 ATOM 7214 C CB . SER C 1 378 ? -9.836 14.726 -47.751 1.00 20.20 ? 380 SER C CB 1 ATOM 7215 O OG . SER C 1 378 ? -9.378 13.685 -46.906 1.00 24.15 ? 380 SER C OG 1 ATOM 7216 N N . GLN C 1 379 ? -11.278 15.587 -45.307 1.00 20.52 ? 381 GLN C N 1 ATOM 7217 C CA . GLN C 1 379 ? -11.701 15.307 -43.942 1.00 21.96 ? 381 GLN C CA 1 ATOM 7218 C C . GLN C 1 379 ? -11.115 13.976 -43.463 1.00 21.13 ? 381 GLN C C 1 ATOM 7219 O O . GLN C 1 379 ? -11.024 13.726 -42.260 1.00 19.77 ? 381 GLN C O 1 ATOM 7220 C CB . GLN C 1 379 ? -13.235 15.287 -43.841 1.00 23.92 ? 381 GLN C CB 1 ATOM 7221 C CG . GLN C 1 379 ? -13.776 15.032 -42.426 1.00 20.19 ? 381 GLN C CG 1 ATOM 7222 C CD . GLN C 1 379 ? -13.339 16.094 -41.429 1.00 20.37 ? 381 GLN C CD 1 ATOM 7223 O OE1 . GLN C 1 379 ? -14.042 17.083 -41.218 1.00 23.55 ? 381 GLN C OE1 1 ATOM 7224 N NE2 . GLN C 1 379 ? -12.177 15.899 -40.814 1.00 17.07 ? 381 GLN C NE2 1 ATOM 7225 N N . SER C 1 380 ? -10.719 13.125 -44.407 1.00 26.03 ? 382 SER C N 1 ATOM 7226 C CA . SER C 1 380 ? -10.100 11.843 -44.068 1.00 26.94 ? 382 SER C CA 1 ATOM 7227 C C . SER C 1 380 ? -8.610 12.016 -43.802 1.00 31.64 ? 382 SER C C 1 ATOM 7228 O O . SER C 1 380 ? -7.973 11.178 -43.162 1.00 35.01 ? 382 SER C O 1 ATOM 7229 C CB . SER C 1 380 ? -10.315 10.821 -45.187 1.00 24.66 ? 382 SER C CB 1 ATOM 7230 O OG . SER C 1 380 ? -11.697 10.662 -45.475 1.00 32.00 ? 382 SER C OG 1 ATOM 7231 N N . GLY C 1 381 ? -8.060 13.114 -44.304 1.00 29.33 ? 383 GLY C N 1 ATOM 7232 C CA . GLY C 1 381 ? -6.641 13.374 -44.202 1.00 24.15 ? 383 GLY C CA 1 ATOM 7233 C C . GLY C 1 381 ? -6.098 13.977 -45.480 1.00 23.92 ? 383 GLY C C 1 ATOM 7234 O O . GLY C 1 381 ? -6.863 14.469 -46.320 1.00 26.51 ? 383 GLY C O 1 ATOM 7235 N N . TYR C 1 382 ? -4.780 13.941 -45.633 1.00 17.14 ? 384 TYR C N 1 ATOM 7236 C CA . TYR C 1 382 ? -4.140 14.586 -46.772 1.00 17.60 ? 384 TYR C CA 1 ATOM 7237 C C . TYR C 1 382 ? -3.184 13.639 -47.490 1.00 20.61 ? 384 TYR C C 1 ATOM 7238 O O . TYR C 1 382 ? -2.640 12.704 -46.896 1.00 16.74 ? 384 TYR C O 1 ATOM 7239 C CB . TYR C 1 382 ? -3.408 15.857 -46.332 1.00 15.08 ? 384 TYR C CB 1 ATOM 7240 C CG . TYR C 1 382 ? -2.276 15.654 -45.347 1.00 16.28 ? 384 TYR C CG 1 ATOM 7241 C CD1 . TYR C 1 382 ? -0.986 15.362 -45.782 1.00 17.43 ? 384 TYR C CD1 1 ATOM 7242 C CD2 . TYR C 1 382 ? -2.490 15.784 -43.979 1.00 19.17 ? 384 TYR C CD2 1 ATOM 7243 C CE1 . TYR C 1 382 ? 0.055 15.186 -44.872 1.00 17.06 ? 384 TYR C CE1 1 ATOM 7244 C CE2 . TYR C 1 382 ? -1.458 15.617 -43.068 1.00 16.30 ? 384 TYR C CE2 1 ATOM 7245 C CZ . TYR C 1 382 ? -0.191 15.321 -43.520 1.00 16.36 ? 384 TYR C CZ 1 ATOM 7246 O OH . TYR C 1 382 ? 0.827 15.152 -42.607 1.00 20.59 ? 384 TYR C OH 1 ATOM 7247 N N . THR C 1 383 ? -2.984 13.880 -48.779 1.00 21.82 ? 385 THR C N 1 ATOM 7248 C CA . THR C 1 383 ? -2.229 12.935 -49.591 1.00 23.87 ? 385 THR C CA 1 ATOM 7249 C C . THR C 1 383 ? -1.184 13.606 -50.463 1.00 23.73 ? 385 THR C C 1 ATOM 7250 O O . THR C 1 383 ? -1.270 14.800 -50.757 1.00 21.48 ? 385 THR C O 1 ATOM 7251 C CB . THR C 1 383 ? -3.163 12.115 -50.510 1.00 20.05 ? 385 THR C CB 1 ATOM 7252 O OG1 . THR C 1 383 ? -3.822 12.999 -51.420 1.00 20.16 ? 385 THR C OG1 1 ATOM 7253 C CG2 . THR C 1 383 ? -4.209 11.379 -49.699 1.00 14.61 ? 385 THR C CG2 1 ATOM 7254 N N . LYS C 1 384 ? -0.198 12.813 -50.872 1.00 30.49 ? 386 LYS C N 1 ATOM 7255 C CA . LYS C 1 384 ? 0.722 13.201 -51.930 1.00 29.39 ? 386 LYS C CA 1 ATOM 7256 C C . LYS C 1 384 ? 0.200 12.693 -53.268 1.00 32.62 ? 386 LYS C C 1 ATOM 7257 O O . LYS C 1 384 ? -0.696 11.846 -53.311 1.00 32.64 ? 386 LYS C O 1 ATOM 7258 C CB . LYS C 1 384 ? 2.122 12.652 -51.671 1.00 31.76 ? 386 LYS C CB 1 ATOM 7259 C CG . LYS C 1 384 ? 2.729 13.077 -50.359 1.00 30.38 ? 386 LYS C CG 1 ATOM 7260 C CD . LYS C 1 384 ? 4.135 12.528 -50.210 1.00 33.35 ? 386 LYS C CD 1 ATOM 7261 C CE . LYS C 1 384 ? 4.696 12.821 -48.821 1.00 36.74 ? 386 LYS C CE 1 ATOM 7262 N NZ . LYS C 1 384 ? 6.178 12.662 -48.778 1.00 40.74 ? 386 LYS C NZ 1 ATOM 7263 N N . GLY C 1 385 ? 0.765 13.208 -54.356 1.00 36.27 ? 387 GLY C N 1 ATOM 7264 C CA . GLY C 1 385 ? 0.357 12.805 -55.690 1.00 39.48 ? 387 GLY C CA 1 ATOM 7265 C C . GLY C 1 385 ? 1.153 11.640 -56.260 1.00 40.10 ? 387 GLY C C 1 ATOM 7266 O O . GLY C 1 385 ? 1.764 11.762 -57.320 1.00 40.49 ? 387 GLY C O 1 ATOM 7267 N N . GLU C 1 386 ? 1.133 10.505 -55.563 1.00 41.59 ? 388 GLU C N 1 ATOM 7268 C CA . GLU C 1 386 ? 1.826 9.300 -56.023 1.00 39.38 ? 388 GLU C CA 1 ATOM 7269 C C . GLU C 1 386 ? 1.012 8.493 -57.035 1.00 37.93 ? 388 GLU C C 1 ATOM 7270 O O . GLU C 1 386 ? 1.532 8.095 -58.079 1.00 39.99 ? 388 GLU C O 1 ATOM 7271 C CB . GLU C 1 386 ? 2.175 8.411 -54.839 1.00 41.56 ? 388 GLU C CB 1 ATOM 7272 C CG . GLU C 1 386 ? 2.976 9.109 -53.776 1.00 47.05 ? 388 GLU C CG 1 ATOM 7273 C CD . GLU C 1 386 ? 3.379 8.177 -52.656 1.00 61.49 ? 388 GLU C CD 1 ATOM 7274 O OE1 . GLU C 1 386 ? 2.836 7.046 -52.599 1.00 60.97 ? 388 GLU C OE1 1 ATOM 7275 O OE2 . GLU C 1 386 ? 4.240 8.578 -51.839 1.00 60.72 ? 388 GLU C OE2 1 ATOM 7276 N N . THR C 1 387 ? -0.250 8.224 -56.704 1.00 25.12 ? 389 THR C N 1 ATOM 7277 C CA . THR C 1 387 ? -1.170 7.549 -57.617 1.00 25.13 ? 389 THR C CA 1 ATOM 7278 C C . THR C 1 387 ? -2.513 8.267 -57.616 1.00 27.25 ? 389 THR C C 1 ATOM 7279 O O . THR C 1 387 ? -2.793 9.058 -56.715 1.00 24.52 ? 389 THR C O 1 ATOM 7280 C CB . THR C 1 387 ? -1.407 6.069 -57.237 1.00 26.63 ? 389 THR C CB 1 ATOM 7281 O OG1 . THR C 1 387 ? -2.399 5.990 -56.199 1.00 22.98 ? 389 THR C OG1 1 ATOM 7282 C CG2 . THR C 1 387 ? -0.114 5.391 -56.799 1.00 24.06 ? 389 THR C CG2 1 ATOM 7283 N N . PRO C 1 388 ? -3.354 7.998 -58.625 1.00 26.67 ? 390 PRO C N 1 ATOM 7284 C CA . PRO C 1 388 ? -4.690 8.602 -58.609 1.00 23.43 ? 390 PRO C CA 1 ATOM 7285 C C . PRO C 1 388 ? -5.695 7.874 -57.711 1.00 26.30 ? 390 PRO C C 1 ATOM 7286 O O . PRO C 1 388 ? -6.857 8.286 -57.667 1.00 23.53 ? 390 PRO C O 1 ATOM 7287 C CB . PRO C 1 388 ? -5.132 8.519 -60.077 1.00 28.24 ? 390 PRO C CB 1 ATOM 7288 C CG . PRO C 1 388 ? -3.874 8.225 -60.862 1.00 29.22 ? 390 PRO C CG 1 ATOM 7289 C CD . PRO C 1 388 ? -3.023 7.427 -59.942 1.00 26.35 ? 390 PRO C CD 1 ATOM 7290 N N . PHE C 1 389 ? -5.270 6.838 -56.994 1.00 26.75 ? 391 PHE C N 1 ATOM 7291 C CA . PHE C 1 389 ? -6.235 6.021 -56.258 1.00 30.40 ? 391 PHE C CA 1 ATOM 7292 C C . PHE C 1 389 ? -5.983 5.900 -54.752 1.00 30.58 ? 391 PHE C C 1 ATOM 7293 O O . PHE C 1 389 ? -4.849 6.021 -54.276 1.00 32.43 ? 391 PHE C O 1 ATOM 7294 C CB . PHE C 1 389 ? -6.296 4.617 -56.869 1.00 30.57 ? 391 PHE C CB 1 ATOM 7295 C CG . PHE C 1 389 ? -6.647 4.612 -58.328 1.00 35.49 ? 391 PHE C CG 1 ATOM 7296 C CD1 . PHE C 1 389 ? -7.911 5.000 -58.751 1.00 32.92 ? 391 PHE C CD1 1 ATOM 7297 C CD2 . PHE C 1 389 ? -5.714 4.229 -59.278 1.00 32.34 ? 391 PHE C CD2 1 ATOM 7298 C CE1 . PHE C 1 389 ? -8.239 5.003 -60.099 1.00 32.98 ? 391 PHE C CE1 1 ATOM 7299 C CE2 . PHE C 1 389 ? -6.038 4.230 -60.623 1.00 33.90 ? 391 PHE C CE2 1 ATOM 7300 C CZ . PHE C 1 389 ? -7.303 4.620 -61.033 1.00 30.72 ? 391 PHE C CZ 1 ATOM 7301 N N . VAL C 1 390 ? -7.064 5.656 -54.017 1.00 23.01 ? 392 VAL C N 1 ATOM 7302 C CA . VAL C 1 390 ? -6.991 5.363 -52.592 1.00 27.09 ? 392 VAL C CA 1 ATOM 7303 C C . VAL C 1 390 ? -7.807 4.120 -52.254 1.00 27.10 ? 392 VAL C C 1 ATOM 7304 O O . VAL C 1 390 ? -8.744 3.770 -52.968 1.00 25.21 ? 392 VAL C O 1 ATOM 7305 C CB . VAL C 1 390 ? -7.488 6.551 -51.737 1.00 25.67 ? 392 VAL C CB 1 ATOM 7306 C CG1 . VAL C 1 390 ? -6.364 7.556 -51.532 1.00 26.30 ? 392 VAL C CG1 1 ATOM 7307 C CG2 . VAL C 1 390 ? -8.706 7.214 -52.383 1.00 20.27 ? 392 VAL C CG2 1 ATOM 7308 N N . LYS C 1 391 ? -7.435 3.459 -51.162 1.00 32.44 ? 393 LYS C N 1 ATOM 7309 C CA . LYS C 1 391 ? -8.122 2.263 -50.694 1.00 34.47 ? 393 LYS C CA 1 ATOM 7310 C C . LYS C 1 391 ? -9.539 2.591 -50.232 1.00 38.13 ? 393 LYS C C 1 ATOM 7311 O O . LYS C 1 391 ? -10.487 1.869 -50.546 1.00 42.66 ? 393 LYS C O 1 ATOM 7312 C CB . LYS C 1 391 ? -7.332 1.609 -49.555 1.00 37.72 ? 393 LYS C CB 1 ATOM 7313 C CG . LYS C 1 391 ? -8.015 0.408 -48.909 1.00 40.38 ? 393 LYS C CG 1 ATOM 7314 C CD . LYS C 1 391 ? -8.021 -0.799 -49.845 1.00 41.50 ? 393 LYS C CD 1 ATOM 7315 C CE . LYS C 1 391 ? -8.649 -2.025 -49.188 1.00 39.07 ? 393 LYS C CE 1 ATOM 7316 N NZ . LYS C 1 391 ? -8.846 -3.140 -50.161 1.00 40.15 ? 393 LYS C NZ 1 ATOM 7317 N N . ASP C 1 392 ? -9.680 3.684 -49.491 1.00 25.31 ? 394 ASP C N 1 ATOM 7318 C CA . ASP C 1 392 ? -10.990 4.128 -49.042 1.00 31.31 ? 394 ASP C CA 1 ATOM 7319 C C . ASP C 1 392 ? -11.300 5.530 -49.545 1.00 28.80 ? 394 ASP C C 1 ATOM 7320 O O . ASP C 1 392 ? -10.401 6.267 -49.926 1.00 26.95 ? 394 ASP C O 1 ATOM 7321 C CB . ASP C 1 392 ? -11.076 4.093 -47.519 1.00 30.92 ? 394 ASP C CB 1 ATOM 7322 C CG . ASP C 1 392 ? -11.072 2.690 -46.973 1.00 37.67 ? 394 ASP C CG 1 ATOM 7323 O OD1 . ASP C 1 392 ? -12.146 2.059 -46.984 1.00 42.36 ? 394 ASP C OD1 1 ATOM 7324 O OD2 . ASP C 1 392 ? -10.004 2.213 -46.532 1.00 42.97 ? 394 ASP C OD2 1 ATOM 7325 N N . TYR C 1 393 ? -12.576 5.893 -49.540 1.00 29.25 ? 395 TYR C N 1 ATOM 7326 C CA . TYR C 1 393 ? -12.979 7.224 -49.962 1.00 32.33 ? 395 TYR C CA 1 ATOM 7327 C C . TYR C 1 393 ? -12.279 8.302 -49.150 1.00 32.79 ? 395 TYR C C 1 ATOM 7328 O O . TYR C 1 393 ? -12.000 8.130 -47.957 1.00 27.07 ? 395 TYR C O 1 ATOM 7329 C CB . TYR C 1 393 ? -14.493 7.410 -49.839 1.00 32.02 ? 395 TYR C CB 1 ATOM 7330 C CG . TYR C 1 393 ? -15.303 6.508 -50.735 1.00 37.02 ? 395 TYR C CG 1 ATOM 7331 C CD1 . TYR C 1 393 ? -15.906 5.360 -50.234 1.00 32.83 ? 395 TYR C CD1 1 ATOM 7332 C CD2 . TYR C 1 393 ? -15.471 6.805 -52.082 1.00 36.70 ? 395 TYR C CD2 1 ATOM 7333 C CE1 . TYR C 1 393 ? -16.652 4.539 -51.046 1.00 36.75 ? 395 TYR C CE1 1 ATOM 7334 C CE2 . TYR C 1 393 ? -16.215 5.984 -52.909 1.00 35.04 ? 395 TYR C CE2 1 ATOM 7335 C CZ . TYR C 1 393 ? -16.802 4.852 -52.385 1.00 38.78 ? 395 TYR C CZ 1 ATOM 7336 O OH . TYR C 1 393 ? -17.547 4.030 -53.198 1.00 35.53 ? 395 TYR C OH 1 ATOM 7337 N N . LEU C 1 394 ? -11.973 9.403 -49.824 1.00 29.92 ? 396 LEU C N 1 ATOM 7338 C CA . LEU C 1 394 ? -11.567 10.613 -49.146 1.00 23.40 ? 396 LEU C CA 1 ATOM 7339 C C . LEU C 1 394 ? -12.844 11.375 -48.821 1.00 27.49 ? 396 LEU C C 1 ATOM 7340 O O . LEU C 1 394 ? -13.541 11.861 -49.718 1.00 27.65 ? 396 LEU C O 1 ATOM 7341 C CB . LEU C 1 394 ? -10.610 11.435 -50.014 1.00 22.72 ? 396 LEU C CB 1 ATOM 7342 C CG . LEU C 1 394 ? -9.233 10.806 -50.237 1.00 23.69 ? 396 LEU C CG 1 ATOM 7343 C CD1 . LEU C 1 394 ? -8.498 11.520 -51.351 1.00 24.54 ? 396 LEU C CD1 1 ATOM 7344 C CD2 . LEU C 1 394 ? -8.394 10.827 -48.947 1.00 22.11 ? 396 LEU C CD2 1 ATOM 7345 N N . SER C 1 395 ? -13.175 11.442 -47.538 1.00 23.09 ? 397 SER C N 1 ATOM 7346 C CA . SER C 1 395 ? -14.416 12.069 -47.140 1.00 25.35 ? 397 SER C CA 1 ATOM 7347 C C . SER C 1 395 ? -14.337 13.560 -47.402 1.00 29.48 ? 397 SER C C 1 ATOM 7348 O O . SER C 1 395 ? -13.274 14.171 -47.237 1.00 27.14 ? 397 SER C O 1 ATOM 7349 C CB . SER C 1 395 ? -14.714 11.803 -45.665 1.00 29.60 ? 397 SER C CB 1 ATOM 7350 O OG . SER C 1 395 ? -14.503 10.437 -45.349 1.00 36.95 ? 397 SER C OG 1 ATOM 7351 N N . PRO C 1 396 ? -15.458 14.145 -47.840 1.00 23.28 ? 398 PRO C N 1 ATOM 7352 C CA . PRO C 1 396 ? -15.591 15.596 -47.975 1.00 24.30 ? 398 PRO C CA 1 ATOM 7353 C C . PRO C 1 396 ? -15.807 16.249 -46.601 1.00 20.99 ? 398 PRO C C 1 ATOM 7354 O O . PRO C 1 396 ? -16.155 15.549 -45.659 1.00 23.12 ? 398 PRO C O 1 ATOM 7355 C CB . PRO C 1 396 ? -16.822 15.743 -48.870 1.00 26.75 ? 398 PRO C CB 1 ATOM 7356 C CG . PRO C 1 396 ? -17.659 14.540 -48.522 1.00 25.65 ? 398 PRO C CG 1 ATOM 7357 C CD . PRO C 1 396 ? -16.669 13.432 -48.286 1.00 23.30 ? 398 PRO C CD 1 ATOM 7358 N N . PRO C 1 397 ? -15.594 17.567 -46.481 1.00 19.66 ? 399 PRO C N 1 ATOM 7359 C CA . PRO C 1 397 ? -15.097 18.458 -47.529 1.00 22.62 ? 399 PRO C CA 1 ATOM 7360 C C . PRO C 1 397 ? -13.651 18.149 -47.899 1.00 22.12 ? 399 PRO C C 1 ATOM 7361 O O . PRO C 1 397 ? -12.926 17.542 -47.110 1.00 18.65 ? 399 PRO C O 1 ATOM 7362 C CB . PRO C 1 397 ? -15.230 19.848 -46.903 1.00 21.74 ? 399 PRO C CB 1 ATOM 7363 C CG . PRO C 1 397 ? -16.234 19.677 -45.815 1.00 22.05 ? 399 PRO C CG 1 ATOM 7364 C CD . PRO C 1 397 ? -15.963 18.318 -45.273 1.00 20.37 ? 399 PRO C CD 1 ATOM 7365 N N . LYS C 1 398 ? -13.264 18.516 -49.113 1.00 22.99 ? 400 LYS C N 1 ATOM 7366 C CA . LYS C 1 398 ? -11.928 18.225 -49.603 1.00 24.69 ? 400 LYS C CA 1 ATOM 7367 C C . LYS C 1 398 ? -11.646 19.062 -50.837 1.00 25.19 ? 400 LYS C C 1 ATOM 7368 O O . LYS C 1 398 ? -12.569 19.539 -51.495 1.00 25.47 ? 400 LYS C O 1 ATOM 7369 C CB . LYS C 1 398 ? -11.764 16.738 -49.929 1.00 19.85 ? 400 LYS C CB 1 ATOM 7370 C CG . LYS C 1 398 ? -12.692 16.218 -51.018 1.00 27.00 ? 400 LYS C CG 1 ATOM 7371 C CD . LYS C 1 398 ? -12.490 14.719 -51.250 1.00 26.21 ? 400 LYS C CD 1 ATOM 7372 C CE . LYS C 1 398 ? -13.500 14.162 -52.235 1.00 22.47 ? 400 LYS C CE 1 ATOM 7373 N NZ . LYS C 1 398 ? -13.345 12.690 -52.390 1.00 24.85 ? 400 LYS C NZ 1 ATOM 7374 N N . TYR C 1 399 ? -10.371 19.239 -51.151 1.00 22.28 ? 401 TYR C N 1 ATOM 7375 C CA . TYR C 1 399 ? -9.999 20.022 -52.318 1.00 28.88 ? 401 TYR C CA 1 ATOM 7376 C C . TYR C 1 399 ? -8.587 19.649 -52.782 1.00 26.54 ? 401 TYR C C 1 ATOM 7377 O O . TYR C 1 399 ? -7.789 19.102 -52.010 1.00 25.39 ? 401 TYR C O 1 ATOM 7378 C CB . TYR C 1 399 ? -10.108 21.525 -52.010 1.00 19.98 ? 401 TYR C CB 1 ATOM 7379 C CG . TYR C 1 399 ? -9.165 22.000 -50.927 1.00 25.76 ? 401 TYR C CG 1 ATOM 7380 C CD1 . TYR C 1 399 ? -9.478 21.838 -49.575 1.00 25.98 ? 401 TYR C CD1 1 ATOM 7381 C CD2 . TYR C 1 399 ? -7.963 22.610 -51.251 1.00 23.37 ? 401 TYR C CD2 1 ATOM 7382 C CE1 . TYR C 1 399 ? -8.611 22.271 -48.580 1.00 20.11 ? 401 TYR C CE1 1 ATOM 7383 C CE2 . TYR C 1 399 ? -7.093 23.046 -50.269 1.00 24.75 ? 401 TYR C CE2 1 ATOM 7384 C CZ . TYR C 1 399 ? -7.415 22.879 -48.938 1.00 23.36 ? 401 TYR C CZ 1 ATOM 7385 O OH . TYR C 1 399 ? -6.532 23.322 -47.973 1.00 19.07 ? 401 TYR C OH 1 ATOM 7386 N N . GLY C 1 400 ? -8.294 19.922 -54.048 1.00 19.19 ? 402 GLY C N 1 ATOM 7387 C CA . GLY C 1 400 ? -6.990 19.612 -54.608 1.00 19.12 ? 402 GLY C CA 1 ATOM 7388 C C . GLY C 1 400 ? -7.039 18.444 -55.568 1.00 21.20 ? 402 GLY C C 1 ATOM 7389 O O . GLY C 1 400 ? -8.109 18.073 -56.054 1.00 21.42 ? 402 GLY C O 1 ATOM 7390 N N . ARG C 1 401 ? -5.874 17.873 -55.854 1.00 25.89 ? 403 ARG C N 1 ATOM 7391 C CA . ARG C 1 401 ? -5.778 16.730 -56.751 1.00 33.01 ? 403 ARG C CA 1 ATOM 7392 C C . ARG C 1 401 ? -6.085 15.470 -55.965 1.00 28.58 ? 403 ARG C C 1 ATOM 7393 O O . ARG C 1 401 ? -5.185 14.774 -55.499 1.00 30.92 ? 403 ARG C O 1 ATOM 7394 C CB . ARG C 1 401 ? -4.391 16.648 -57.380 1.00 31.04 ? 403 ARG C CB 1 ATOM 7395 C CG . ARG C 1 401 ? -4.083 17.800 -58.296 1.00 31.38 ? 403 ARG C CG 1 ATOM 7396 C CD . ARG C 1 401 ? -2.573 17.922 -58.533 1.00 42.06 ? 403 ARG C CD 1 ATOM 7397 N NE . ARG C 1 401 ? -2.079 16.949 -59.502 1.00 36.92 ? 403 ARG C NE 1 ATOM 7398 C CZ . ARG C 1 401 ? -2.205 17.084 -60.817 1.00 42.17 ? 403 ARG C CZ 1 ATOM 7399 N NH1 . ARG C 1 401 ? -2.812 18.156 -61.322 1.00 42.57 ? 403 ARG C NH1 1 ATOM 7400 N NH2 . ARG C 1 401 ? -1.726 16.149 -61.627 1.00 38.22 ? 403 ARG C NH2 1 ATOM 7401 N N . CYS C 1 402 ? -7.369 15.190 -55.809 1.00 27.41 ? 404 CYS C N 1 ATOM 7402 C CA . CYS C 1 402 ? -7.798 14.172 -54.873 1.00 27.22 ? 404 CYS C CA 1 ATOM 7403 C C . CYS C 1 402 ? -7.994 12.810 -55.536 1.00 30.57 ? 404 CYS C C 1 ATOM 7404 O O . CYS C 1 402 ? -8.603 12.695 -56.605 1.00 26.04 ? 404 CYS C O 1 ATOM 7405 C CB . CYS C 1 402 ? -9.072 14.635 -54.173 1.00 24.25 ? 404 CYS C CB 1 ATOM 7406 S SG . CYS C 1 402 ? -8.740 15.994 -53.022 1.00 35.25 ? 404 CYS C SG 1 ATOM 7407 N N . GLN C 1 403 ? -7.442 11.789 -54.884 1.00 25.70 ? 405 GLN C N 1 ATOM 7408 C CA . GLN C 1 403 ? -7.521 10.415 -55.352 1.00 26.49 ? 405 GLN C CA 1 ATOM 7409 C C . GLN C 1 403 ? -8.949 9.865 -55.308 1.00 28.15 ? 405 GLN C C 1 ATOM 7410 O O . GLN C 1 403 ? -9.837 10.424 -54.649 1.00 24.82 ? 405 GLN C O 1 ATOM 7411 C CB . GLN C 1 403 ? -6.594 9.521 -54.522 1.00 24.18 ? 405 GLN C CB 1 ATOM 7412 C CG . GLN C 1 403 ? -5.101 9.729 -54.781 1.00 27.18 ? 405 GLN C CG 1 ATOM 7413 C CD . GLN C 1 403 ? -4.524 10.962 -54.085 1.00 27.23 ? 405 GLN C CD 1 ATOM 7414 O OE1 . GLN C 1 403 ? -5.212 11.648 -53.327 1.00 22.11 ? 405 GLN C OE1 1 ATOM 7415 N NE2 . GLN C 1 403 ? -3.256 11.253 -54.360 1.00 23.46 ? 405 GLN C NE2 1 ATOM 7416 N N . LEU C 1 404 ? -9.146 8.757 -56.016 1.00 22.16 ? 406 LEU C N 1 ATOM 7417 C CA . LEU C 1 404 ? -10.434 8.090 -56.111 1.00 21.62 ? 406 LEU C CA 1 ATOM 7418 C C . LEU C 1 404 ? -10.359 6.657 -55.584 1.00 24.00 ? 406 LEU C C 1 ATOM 7419 O O . LEU C 1 404 ? -9.334 5.994 -55.710 1.00 19.74 ? 406 LEU C O 1 ATOM 7420 C CB . LEU C 1 404 ? -10.914 8.077 -57.561 1.00 21.56 ? 406 LEU C CB 1 ATOM 7421 C CG . LEU C 1 404 ? -11.053 9.433 -58.238 1.00 22.56 ? 406 LEU C CG 1 ATOM 7422 C CD1 . LEU C 1 404 ? -11.091 9.245 -59.740 1.00 23.26 ? 406 LEU C CD1 1 ATOM 7423 C CD2 . LEU C 1 404 ? -12.308 10.145 -57.748 1.00 19.76 ? 406 LEU C CD2 1 ATOM 7424 N N . LYS C 1 405 ? -11.450 6.176 -54.997 1.00 38.83 ? 407 LYS C N 1 ATOM 7425 C CA . LYS C 1 405 ? -11.496 4.787 -54.569 1.00 36.41 ? 407 LYS C CA 1 ATOM 7426 C C . LYS C 1 405 ? -11.814 3.862 -55.731 1.00 37.50 ? 407 LYS C C 1 ATOM 7427 O O . LYS C 1 405 ? -12.796 4.045 -56.454 1.00 34.27 ? 407 LYS C O 1 ATOM 7428 C CB . LYS C 1 405 ? -12.522 4.576 -53.465 1.00 33.05 ? 407 LYS C CB 1 ATOM 7429 C CG . LYS C 1 405 ? -12.671 3.123 -53.077 1.00 32.73 ? 407 LYS C CG 1 ATOM 7430 C CD . LYS C 1 405 ? -13.690 2.942 -51.956 1.00 44.05 ? 407 LYS C CD 1 ATOM 7431 C CE . LYS C 1 405 ? -13.753 1.481 -51.503 1.00 44.51 ? 407 LYS C CE 1 ATOM 7432 N NZ . LYS C 1 405 ? -14.077 1.357 -50.049 1.00 47.19 ? 407 LYS C NZ 1 ATOM 7433 N N . THR C 1 406 ? -10.958 2.874 -55.914 1.00 29.24 ? 408 THR C N 1 ATOM 7434 C CA . THR C 1 406 ? -11.262 1.780 -56.801 1.00 36.27 ? 408 THR C CA 1 ATOM 7435 C C . THR C 1 406 ? -11.018 0.504 -56.015 1.00 37.34 ? 408 THR C C 1 ATOM 7436 O O . THR C 1 406 ? -10.255 0.504 -55.038 1.00 29.87 ? 408 THR C O 1 ATOM 7437 C CB . THR C 1 406 ? -10.406 1.806 -58.080 1.00 37.92 ? 408 THR C CB 1 ATOM 7438 O OG1 . THR C 1 406 ? -10.861 0.787 -58.980 1.00 38.83 ? 408 THR C OG1 1 ATOM 7439 C CG2 . THR C 1 406 ? -8.933 1.579 -57.751 1.00 31.16 ? 408 THR C CG2 1 ATOM 7440 N N . ASP C 1 407 ? -11.679 -0.572 -56.425 1.00 38.29 ? 409 ASP C N 1 ATOM 7441 C CA . ASP C 1 407 ? -11.482 -1.858 -55.775 1.00 43.57 ? 409 ASP C CA 1 ATOM 7442 C C . ASP C 1 407 ? -10.124 -2.436 -56.136 1.00 41.55 ? 409 ASP C C 1 ATOM 7443 O O . ASP C 1 407 ? -9.639 -2.269 -57.258 1.00 41.96 ? 409 ASP C O 1 ATOM 7444 C CB . ASP C 1 407 ? -12.594 -2.833 -56.153 1.00 48.13 ? 409 ASP C CB 1 ATOM 7445 C CG . ASP C 1 407 ? -13.948 -2.400 -55.628 1.00 61.88 ? 409 ASP C CG 1 ATOM 7446 O OD1 . ASP C 1 407 ? -13.985 -1.625 -54.644 1.00 59.01 ? 409 ASP C OD1 1 ATOM 7447 O OD2 . ASP C 1 407 ? -14.974 -2.824 -56.205 1.00 71.97 ? 409 ASP C OD2 1 ATOM 7448 N N . SER C 1 408 ? -9.519 -3.100 -55.161 1.00 36.86 ? 410 SER C N 1 ATOM 7449 C CA . SER C 1 408 ? -8.241 -3.776 -55.323 1.00 38.52 ? 410 SER C CA 1 ATOM 7450 C C . SER C 1 408 ? -8.173 -4.585 -56.624 1.00 41.06 ? 410 SER C C 1 ATOM 7451 O O . SER C 1 408 ? -7.196 -4.497 -57.363 1.00 37.77 ? 410 SER C O 1 ATOM 7452 C CB . SER C 1 408 ? -7.991 -4.683 -54.114 1.00 30.13 ? 410 SER C CB 1 ATOM 7453 O OG . SER C 1 408 ? -6.925 -5.575 -54.358 1.00 47.92 ? 410 SER C OG 1 ATOM 7454 N N . GLY C 1 409 ? -9.230 -5.345 -56.907 1.00 47.16 ? 411 GLY C N 1 ATOM 7455 C CA . GLY C 1 409 ? -9.284 -6.191 -58.091 1.00 49.65 ? 411 GLY C CA 1 ATOM 7456 C C . GLY C 1 409 ? -9.150 -5.487 -59.436 1.00 50.70 ? 411 GLY C C 1 ATOM 7457 O O . GLY C 1 409 ? -8.470 -5.981 -60.340 1.00 50.91 ? 411 GLY C O 1 ATOM 7458 N N . ARG C 1 410 ? -9.782 -4.324 -59.570 1.00 45.29 ? 412 ARG C N 1 ATOM 7459 C CA . ARG C 1 410 ? -9.860 -3.641 -60.863 1.00 48.42 ? 412 ARG C CA 1 ATOM 7460 C C . ARG C 1 410 ? -8.548 -2.979 -61.286 1.00 44.08 ? 412 ARG C C 1 ATOM 7461 O O . ARG C 1 410 ? -8.497 -2.296 -62.305 1.00 43.05 ? 412 ARG C O 1 ATOM 7462 C CB . ARG C 1 410 ? -10.975 -2.590 -60.840 1.00 50.69 ? 412 ARG C CB 1 ATOM 7463 C CG . ARG C 1 410 ? -12.382 -3.167 -60.917 1.00 50.50 ? 412 ARG C CG 1 ATOM 7464 C CD . ARG C 1 410 ? -13.417 -2.053 -60.813 1.00 62.85 ? 412 ARG C CD 1 ATOM 7465 N NE . ARG C 1 410 ? -14.786 -2.568 -60.846 1.00 75.55 ? 412 ARG C NE 1 ATOM 7466 C CZ . ARG C 1 410 ? -15.809 -1.948 -61.429 1.00 71.55 ? 412 ARG C CZ 1 ATOM 7467 N NH1 . ARG C 1 410 ? -15.631 -0.773 -62.025 1.00 73.10 ? 412 ARG C NH1 1 ATOM 7468 N NH2 . ARG C 1 410 ? -17.016 -2.498 -61.412 1.00 68.45 ? 412 ARG C NH2 1 ATOM 7469 N N . ILE C 1 411 ? -7.490 -3.187 -60.514 1.00 43.28 ? 413 ILE C N 1 ATOM 7470 C CA . ILE C 1 411 ? -6.209 -2.556 -60.811 1.00 46.24 ? 413 ILE C CA 1 ATOM 7471 C C . ILE C 1 411 ? -5.441 -3.356 -61.861 1.00 47.83 ? 413 ILE C C 1 ATOM 7472 O O . ILE C 1 411 ? -4.920 -4.438 -61.575 1.00 50.10 ? 413 ILE C O 1 ATOM 7473 C CB . ILE C 1 411 ? -5.357 -2.400 -59.536 1.00 49.41 ? 413 ILE C CB 1 ATOM 7474 C CG1 . ILE C 1 411 ? -6.072 -1.476 -58.547 1.00 50.51 ? 413 ILE C CG1 1 ATOM 7475 C CG2 . ILE C 1 411 ? -3.973 -1.851 -59.869 1.00 45.42 ? 413 ILE C CG2 1 ATOM 7476 C CD1 . ILE C 1 411 ? -5.404 -1.385 -57.196 1.00 47.35 ? 413 ILE C CD1 1 ATOM 7477 N N . PRO C 1 412 ? -5.357 -2.814 -63.083 1.00 47.61 ? 414 PRO C N 1 ATOM 7478 C CA . PRO C 1 412 ? -4.764 -3.541 -64.207 1.00 48.92 ? 414 PRO C CA 1 ATOM 7479 C C . PRO C 1 412 ? -3.254 -3.668 -64.081 1.00 48.52 ? 414 PRO C C 1 ATOM 7480 O O . PRO C 1 412 ? -2.603 -2.864 -63.407 1.00 46.98 ? 414 PRO C O 1 ATOM 7481 C CB . PRO C 1 412 ? -5.144 -2.689 -65.427 1.00 48.44 ? 414 PRO C CB 1 ATOM 7482 C CG . PRO C 1 412 ? -5.850 -1.457 -64.889 1.00 44.98 ? 414 PRO C CG 1 ATOM 7483 C CD . PRO C 1 412 ? -5.593 -1.403 -63.419 1.00 52.48 ? 414 PRO C CD 1 ATOM 7484 N N . THR C 1 413 ? -2.705 -4.684 -64.734 1.00 43.55 ? 415 THR C N 1 ATOM 7485 C CA . THR C 1 413 ? -1.297 -5.019 -64.584 1.00 40.14 ? 415 THR C CA 1 ATOM 7486 C C . THR C 1 413 ? -0.562 -5.066 -65.917 1.00 35.26 ? 415 THR C C 1 ATOM 7487 O O . THR C 1 413 ? -1.173 -4.991 -66.984 1.00 39.19 ? 415 THR C O 1 ATOM 7488 C CB . THR C 1 413 ? -1.127 -6.376 -63.895 1.00 39.89 ? 415 THR C CB 1 ATOM 7489 O OG1 . THR C 1 413 ? -1.601 -7.401 -64.773 1.00 44.08 ? 415 THR C OG1 1 ATOM 7490 C CG2 . THR C 1 413 ? -1.918 -6.426 -62.605 1.00 40.25 ? 415 THR C CG2 1 ATOM 7491 N N . LEU C 1 414 ? 0.757 -5.190 -65.834 1.00 29.19 ? 416 LEU C N 1 ATOM 7492 C CA . LEU C 1 414 ? 1.614 -5.304 -66.998 1.00 34.00 ? 416 LEU C CA 1 ATOM 7493 C C . LEU C 1 414 ? 2.441 -6.576 -66.907 1.00 35.71 ? 416 LEU C C 1 ATOM 7494 O O . LEU C 1 414 ? 2.842 -6.980 -65.815 1.00 37.46 ? 416 LEU C O 1 ATOM 7495 C CB . LEU C 1 414 ? 2.532 -4.083 -67.121 1.00 30.03 ? 416 LEU C CB 1 ATOM 7496 C CG . LEU C 1 414 ? 1.826 -2.808 -67.582 1.00 35.22 ? 416 LEU C CG 1 ATOM 7497 C CD1 . LEU C 1 414 ? 2.800 -1.636 -67.650 1.00 34.33 ? 416 LEU C CD1 1 ATOM 7498 C CD2 . LEU C 1 414 ? 1.108 -3.016 -68.921 1.00 27.67 ? 416 LEU C CD2 1 ATOM 7499 N N . PRO C 1 415 ? 2.704 -7.210 -68.055 1.00 25.72 ? 417 PRO C N 1 ATOM 7500 C CA . PRO C 1 415 ? 3.526 -8.420 -68.047 1.00 26.32 ? 417 PRO C CA 1 ATOM 7501 C C . PRO C 1 415 ? 4.961 -8.114 -67.628 1.00 27.13 ? 417 PRO C C 1 ATOM 7502 O O . PRO C 1 415 ? 5.497 -7.056 -67.961 1.00 27.27 ? 417 PRO C O 1 ATOM 7503 C CB . PRO C 1 415 ? 3.454 -8.905 -69.499 1.00 22.02 ? 417 PRO C CB 1 ATOM 7504 C CG . PRO C 1 415 ? 3.130 -7.687 -70.292 1.00 24.13 ? 417 PRO C CG 1 ATOM 7505 C CD . PRO C 1 415 ? 2.262 -6.844 -69.413 1.00 27.76 ? 417 PRO C CD 1 ATOM 7506 N N . SER C 1 416 ? 5.562 -9.035 -66.886 1.00 36.37 ? 418 SER C N 1 ATOM 7507 C CA . SER C 1 416 ? 6.931 -8.882 -66.416 1.00 41.54 ? 418 SER C CA 1 ATOM 7508 C C . SER C 1 416 ? 7.611 -10.239 -66.368 1.00 39.84 ? 418 SER C C 1 ATOM 7509 O O . SER C 1 416 ? 6.993 -11.262 -66.666 1.00 38.71 ? 418 SER C O 1 ATOM 7510 C CB . SER C 1 416 ? 6.968 -8.217 -65.037 1.00 47.71 ? 418 SER C CB 1 ATOM 7511 O OG . SER C 1 416 ? 6.205 -8.948 -64.094 1.00 48.65 ? 418 SER C OG 1 ATOM 7512 N N . GLY C 1 417 ? 8.886 -10.241 -65.995 1.00 39.06 ? 419 GLY C N 1 ATOM 7513 C CA . GLY C 1 417 ? 9.680 -11.455 -65.999 1.00 38.15 ? 419 GLY C CA 1 ATOM 7514 C C . GLY C 1 417 ? 10.019 -11.929 -67.401 1.00 36.95 ? 419 GLY C C 1 ATOM 7515 O O . GLY C 1 417 ? 10.213 -11.117 -68.311 1.00 35.65 ? 419 GLY C O 1 ATOM 7516 N N . LEU C 1 418 ? 10.103 -13.249 -67.569 1.00 35.10 ? 420 LEU C N 1 ATOM 7517 C CA . LEU C 1 418 ? 10.330 -13.857 -68.875 1.00 31.81 ? 420 LEU C CA 1 ATOM 7518 C C . LEU C 1 418 ? 9.085 -13.677 -69.734 1.00 33.84 ? 420 LEU C C 1 ATOM 7519 O O . LEU C 1 418 ? 7.971 -13.972 -69.298 1.00 33.74 ? 420 LEU C O 1 ATOM 7520 C CB . LEU C 1 418 ? 10.682 -15.337 -68.732 1.00 34.60 ? 420 LEU C CB 1 ATOM 7521 C CG . LEU C 1 418 ? 10.883 -16.141 -70.018 1.00 35.85 ? 420 LEU C CG 1 ATOM 7522 C CD1 . LEU C 1 418 ? 12.098 -15.631 -70.764 1.00 34.78 ? 420 LEU C CD1 1 ATOM 7523 C CD2 . LEU C 1 418 ? 11.013 -17.631 -69.722 1.00 33.84 ? 420 LEU C CD2 1 ATOM 7524 N N . ILE C 1 419 ? 9.288 -13.207 -70.958 1.00 30.68 ? 421 ILE C N 1 ATOM 7525 C CA . ILE C 1 419 ? 8.208 -12.683 -71.787 1.00 31.31 ? 421 ILE C CA 1 ATOM 7526 C C . ILE C 1 419 ? 8.362 -13.095 -73.259 1.00 33.48 ? 421 ILE C C 1 ATOM 7527 O O . ILE C 1 419 ? 9.468 -13.076 -73.802 1.00 33.68 ? 421 ILE C O 1 ATOM 7528 C CB . ILE C 1 419 ? 8.157 -11.131 -71.660 1.00 33.68 ? 421 ILE C CB 1 ATOM 7529 C CG1 . ILE C 1 419 ? 7.406 -10.730 -70.391 1.00 30.14 ? 421 ILE C CG1 1 ATOM 7530 C CG2 . ILE C 1 419 ? 7.507 -10.489 -72.863 1.00 39.44 ? 421 ILE C CG2 1 ATOM 7531 C CD1 . ILE C 1 419 ? 7.079 -9.266 -70.311 1.00 33.83 ? 421 ILE C CD1 1 ATOM 7532 N N . ILE C 1 420 ? 7.254 -13.478 -73.894 1.00 27.07 ? 422 ILE C N 1 ATOM 7533 C CA . ILE C 1 420 ? 7.265 -13.945 -75.280 1.00 25.38 ? 422 ILE C CA 1 ATOM 7534 C C . ILE C 1 420 ? 6.148 -13.294 -76.102 1.00 27.76 ? 422 ILE C C 1 ATOM 7535 O O . ILE C 1 420 ? 4.983 -13.307 -75.693 1.00 23.71 ? 422 ILE C O 1 ATOM 7536 C CB . ILE C 1 420 ? 7.115 -15.479 -75.349 1.00 28.62 ? 422 ILE C CB 1 ATOM 7537 C CG1 . ILE C 1 420 ? 8.344 -16.168 -74.748 1.00 28.34 ? 422 ILE C CG1 1 ATOM 7538 C CG2 . ILE C 1 420 ? 6.870 -15.942 -76.783 1.00 27.98 ? 422 ILE C CG2 1 ATOM 7539 C CD1 . ILE C 1 420 ? 8.158 -17.657 -74.519 1.00 31.77 ? 422 ILE C CD1 1 ATOM 7540 N N . PRO C 1 421 ? 6.497 -12.723 -77.271 1.00 26.65 ? 423 PRO C N 1 ATOM 7541 C CA . PRO C 1 421 ? 5.503 -12.018 -78.090 1.00 29.10 ? 423 PRO C CA 1 ATOM 7542 C C . PRO C 1 421 ? 4.628 -12.964 -78.889 1.00 29.54 ? 423 PRO C C 1 ATOM 7543 O O . PRO C 1 421 ? 5.103 -13.996 -79.358 1.00 26.75 ? 423 PRO C O 1 ATOM 7544 C CB . PRO C 1 421 ? 6.360 -11.155 -79.019 1.00 22.40 ? 423 PRO C CB 1 ATOM 7545 C CG . PRO C 1 421 ? 7.620 -11.932 -79.175 1.00 31.22 ? 423 PRO C CG 1 ATOM 7546 C CD . PRO C 1 421 ? 7.846 -12.655 -77.860 1.00 28.08 ? 423 PRO C CD 1 ATOM 7547 N N . GLN C 1 422 ? 3.356 -12.608 -79.032 1.00 32.90 ? 424 GLN C N 1 ATOM 7548 C CA . GLN C 1 422 ? 2.419 -13.411 -79.799 1.00 36.18 ? 424 GLN C CA 1 ATOM 7549 C C . GLN C 1 422 ? 1.554 -12.522 -80.686 1.00 39.30 ? 424 GLN C C 1 ATOM 7550 O O . GLN C 1 422 ? 0.877 -11.608 -80.207 1.00 35.99 ? 424 GLN C O 1 ATOM 7551 C CB . GLN C 1 422 ? 1.545 -14.260 -78.869 1.00 34.95 ? 424 GLN C CB 1 ATOM 7552 C CG . GLN C 1 422 ? 0.617 -15.224 -79.598 1.00 33.38 ? 424 GLN C CG 1 ATOM 7553 C CD . GLN C 1 422 ? -0.696 -14.574 -79.976 1.00 44.32 ? 424 GLN C CD 1 ATOM 7554 O OE1 . GLN C 1 422 ? -1.151 -13.640 -79.313 1.00 40.99 ? 424 GLN C OE1 1 ATOM 7555 N NE2 . GLN C 1 422 ? -1.304 -15.049 -81.058 1.00 48.78 ? 424 GLN C NE2 1 ATOM 7556 N N . ALA C 1 423 ? 1.593 -12.796 -81.984 1.00 39.91 ? 425 ALA C N 1 ATOM 7557 C CA . ALA C 1 423 ? 0.746 -12.111 -82.949 1.00 41.22 ? 425 ALA C CA 1 ATOM 7558 C C . ALA C 1 423 ? 0.107 -13.130 -83.883 1.00 37.48 ? 425 ALA C C 1 ATOM 7559 O O . ALA C 1 423 ? 0.614 -14.240 -84.039 1.00 46.39 ? 425 ALA C O 1 ATOM 7560 C CB . ALA C 1 423 ? 1.550 -11.089 -83.737 1.00 45.75 ? 425 ALA C CB 1 ATOM 7561 N N . GLY C 1 424 ? -1.007 -12.757 -84.501 1.00 44.24 ? 426 GLY C N 1 ATOM 7562 C CA . GLY C 1 424 ? -1.681 -13.639 -85.438 1.00 41.04 ? 426 GLY C CA 1 ATOM 7563 C C . GLY C 1 424 ? -2.398 -14.754 -84.710 1.00 43.76 ? 426 GLY C C 1 ATOM 7564 O O . GLY C 1 424 ? -2.527 -14.717 -83.489 1.00 47.75 ? 426 GLY C O 1 ATOM 7565 N N . THR C 1 425 ? -2.859 -15.752 -85.456 1.00 39.98 ? 427 THR C N 1 ATOM 7566 C CA . THR C 1 425 ? -3.628 -16.844 -84.872 1.00 40.50 ? 427 THR C CA 1 ATOM 7567 C C . THR C 1 425 ? -2.761 -18.042 -84.499 1.00 41.94 ? 427 THR C C 1 ATOM 7568 O O . THR C 1 425 ? -3.123 -18.819 -83.612 1.00 47.34 ? 427 THR C O 1 ATOM 7569 C CB . THR C 1 425 ? -4.728 -17.320 -85.831 1.00 46.68 ? 427 THR C CB 1 ATOM 7570 O OG1 . THR C 1 425 ? -4.138 -17.730 -87.075 1.00 43.68 ? 427 THR C OG1 1 ATOM 7571 C CG2 . THR C 1 425 ? -5.717 -16.198 -86.088 1.00 41.59 ? 427 THR C CG2 1 ATOM 7572 N N . ASP C 1 426 ? -1.622 -18.181 -85.177 1.00 37.12 ? 428 ASP C N 1 ATOM 7573 C CA . ASP C 1 426 ? -0.769 -19.363 -85.059 1.00 41.82 ? 428 ASP C CA 1 ATOM 7574 C C . ASP C 1 426 ? -1.547 -20.645 -85.369 1.00 46.04 ? 428 ASP C C 1 ATOM 7575 O O . ASP C 1 426 ? -1.190 -21.726 -84.899 1.00 51.21 ? 428 ASP C O 1 ATOM 7576 C CB . ASP C 1 426 ? -0.137 -19.460 -83.660 1.00 38.22 ? 428 ASP C CB 1 ATOM 7577 C CG . ASP C 1 426 ? 0.853 -18.333 -83.375 1.00 37.49 ? 428 ASP C CG 1 ATOM 7578 O OD1 . ASP C 1 426 ? 1.193 -17.561 -84.295 1.00 36.79 ? 428 ASP C OD1 1 ATOM 7579 O OD2 . ASP C 1 426 ? 1.314 -18.233 -82.222 1.00 40.85 ? 428 ASP C OD2 1 ATOM 7580 N N . SER C 1 427 ? -2.603 -20.517 -86.170 1.00 59.34 ? 429 SER C N 1 ATOM 7581 C CA . SER C 1 427 ? -3.466 -21.647 -86.507 1.00 65.35 ? 429 SER C CA 1 ATOM 7582 C C . SER C 1 427 ? -3.972 -21.546 -87.942 1.00 66.33 ? 429 SER C C 1 ATOM 7583 O O . SER C 1 427 ? -4.867 -20.753 -88.242 1.00 66.03 ? 429 SER C O 1 ATOM 7584 C CB . SER C 1 427 ? -4.647 -21.726 -85.535 1.00 74.01 ? 429 SER C CB 1 ATOM 7585 O OG . SER C 1 427 ? -5.758 -22.395 -86.113 1.00 81.31 ? 429 SER C OG 1 ATOM 7586 N N . PHE D 2 9 ? 8.352 -23.591 -84.484 1.00 71.68 ? 9 PHE D N 1 ATOM 7587 C CA . PHE D 2 9 ? 8.182 -23.329 -85.897 1.00 66.15 ? 9 PHE D CA 1 ATOM 7588 C C . PHE D 2 9 ? 8.751 -21.943 -86.254 1.00 66.18 ? 9 PHE D C 1 ATOM 7589 O O . PHE D 2 9 ? 8.353 -21.324 -87.231 1.00 65.37 ? 9 PHE D O 1 ATOM 7590 C CB . PHE D 2 9 ? 6.713 -23.448 -86.287 1.00 69.13 ? 9 PHE D CB 1 ATOM 7591 C CG . PHE D 2 9 ? 5.967 -24.521 -85.544 1.00 72.17 ? 9 PHE D CG 1 ATOM 7592 C CD1 . PHE D 2 9 ? 5.957 -25.838 -86.009 1.00 76.63 ? 9 PHE D CD1 1 ATOM 7593 C CD2 . PHE D 2 9 ? 5.237 -24.205 -84.397 1.00 75.05 ? 9 PHE D CD2 1 ATOM 7594 C CE1 . PHE D 2 9 ? 5.263 -26.819 -85.320 1.00 80.37 ? 9 PHE D CE1 1 ATOM 7595 C CE2 . PHE D 2 9 ? 4.542 -25.180 -83.718 1.00 75.78 ? 9 PHE D CE2 1 ATOM 7596 C CZ . PHE D 2 9 ? 4.557 -26.480 -84.179 1.00 84.27 ? 9 PHE D CZ 1 ATOM 7597 N N . GLY D 2 10 ? 9.662 -21.464 -85.413 1.00 51.95 ? 10 GLY D N 1 ATOM 7598 C CA . GLY D 2 10 ? 10.379 -20.231 -85.666 1.00 49.52 ? 10 GLY D CA 1 ATOM 7599 C C . GLY D 2 10 ? 9.643 -18.895 -85.579 1.00 51.90 ? 10 GLY D C 1 ATOM 7600 O O . GLY D 2 10 ? 8.912 -18.517 -86.499 1.00 57.32 ? 10 GLY D O 1 ATOM 7601 N N . LEU D 2 11 ? 9.826 -18.196 -84.460 1.00 37.62 ? 11 LEU D N 1 ATOM 7602 C CA . LEU D 2 11 ? 9.563 -16.747 -84.304 1.00 44.73 ? 11 LEU D CA 1 ATOM 7603 C C . LEU D 2 11 ? 8.218 -16.156 -84.757 1.00 42.23 ? 11 LEU D C 1 ATOM 7604 O O . LEU D 2 11 ? 7.839 -15.079 -84.301 1.00 39.35 ? 11 LEU D O 1 ATOM 7605 C CB . LEU D 2 11 ? 10.674 -15.957 -85.003 1.00 44.01 ? 11 LEU D CB 1 ATOM 7606 C CG . LEU D 2 11 ? 11.582 -15.142 -84.069 1.00 43.03 ? 11 LEU D CG 1 ATOM 7607 C CD1 . LEU D 2 11 ? 11.914 -15.907 -82.793 1.00 39.26 ? 11 LEU D CD1 1 ATOM 7608 C CD2 . LEU D 2 11 ? 12.847 -14.679 -84.765 1.00 35.80 ? 11 LEU D CD2 1 ATOM 7609 N N . LEU D 2 12 ? 7.502 -16.824 -85.650 1.00 41.93 ? 12 LEU D N 1 ATOM 7610 C CA . LEU D 2 12 ? 6.162 -16.377 -85.995 1.00 31.41 ? 12 LEU D CA 1 ATOM 7611 C C . LEU D 2 12 ? 5.154 -17.236 -85.255 1.00 29.80 ? 12 LEU D C 1 ATOM 7612 O O . LEU D 2 12 ? 3.947 -17.051 -85.389 1.00 31.48 ? 12 LEU D O 1 ATOM 7613 C CB . LEU D 2 12 ? 5.928 -16.442 -87.507 1.00 31.26 ? 12 LEU D CB 1 ATOM 7614 C CG . LEU D 2 12 ? 6.619 -15.388 -88.377 1.00 36.81 ? 12 LEU D CG 1 ATOM 7615 C CD1 . LEU D 2 12 ? 6.532 -15.758 -89.848 1.00 35.79 ? 12 LEU D CD1 1 ATOM 7616 C CD2 . LEU D 2 12 ? 6.023 -14.011 -88.149 1.00 37.73 ? 12 LEU D CD2 1 ATOM 7617 N N . PHE D 2 13 ? 5.659 -18.179 -84.467 1.00 27.58 ? 13 PHE D N 1 ATOM 7618 C CA . PHE D 2 13 ? 4.800 -19.137 -83.781 1.00 32.90 ? 13 PHE D CA 1 ATOM 7619 C C . PHE D 2 13 ? 5.171 -19.285 -82.302 1.00 34.98 ? 13 PHE D C 1 ATOM 7620 O O . PHE D 2 13 ? 6.339 -19.196 -81.932 1.00 30.51 ? 13 PHE D O 1 ATOM 7621 C CB . PHE D 2 13 ? 4.869 -20.506 -84.474 1.00 31.97 ? 13 PHE D CB 1 ATOM 7622 C CG . PHE D 2 13 ? 4.266 -20.525 -85.855 1.00 33.48 ? 13 PHE D CG 1 ATOM 7623 C CD1 . PHE D 2 13 ? 5.023 -20.173 -86.965 1.00 34.78 ? 13 PHE D CD1 1 ATOM 7624 C CD2 . PHE D 2 13 ? 2.943 -20.907 -86.046 1.00 36.34 ? 13 PHE D CD2 1 ATOM 7625 C CE1 . PHE D 2 13 ? 4.472 -20.191 -88.237 1.00 31.61 ? 13 PHE D CE1 1 ATOM 7626 C CE2 . PHE D 2 13 ? 2.384 -20.929 -87.318 1.00 31.44 ? 13 PHE D CE2 1 ATOM 7627 C CZ . PHE D 2 13 ? 3.151 -20.571 -88.413 1.00 33.13 ? 13 PHE D CZ 1 ATOM 7628 N N . VAL D 2 14 ? 4.166 -19.507 -81.459 1.00 39.84 ? 14 VAL D N 1 ATOM 7629 C CA . VAL D 2 14 ? 4.403 -19.812 -80.054 1.00 33.48 ? 14 VAL D CA 1 ATOM 7630 C C . VAL D 2 14 ? 3.707 -21.128 -79.717 1.00 39.36 ? 14 VAL D C 1 ATOM 7631 O O . VAL D 2 14 ? 2.528 -21.303 -80.018 1.00 42.91 ? 14 VAL D O 1 ATOM 7632 C CB . VAL D 2 14 ? 3.904 -18.677 -79.123 1.00 36.47 ? 14 VAL D CB 1 ATOM 7633 C CG1 . VAL D 2 14 ? 4.067 -19.063 -77.661 1.00 34.14 ? 14 VAL D CG1 1 ATOM 7634 C CG2 . VAL D 2 14 ? 4.653 -17.379 -79.414 1.00 33.10 ? 14 VAL D CG2 1 ATOM 7635 N N . GLY D 2 15 ? 4.440 -22.055 -79.105 1.00 33.61 ? 15 GLY D N 1 ATOM 7636 C CA . GLY D 2 15 ? 3.908 -23.375 -78.819 1.00 39.81 ? 15 GLY D CA 1 ATOM 7637 C C . GLY D 2 15 ? 3.651 -23.642 -77.349 1.00 45.74 ? 15 GLY D C 1 ATOM 7638 O O . GLY D 2 15 ? 4.155 -22.928 -76.488 1.00 46.06 ? 15 GLY D O 1 ATOM 7639 N N . PHE D 2 16 ? 2.864 -24.678 -77.067 1.00 62.01 ? 16 PHE D N 1 ATOM 7640 C CA . PHE D 2 16 ? 2.525 -25.056 -75.696 1.00 62.70 ? 16 PHE D CA 1 ATOM 7641 C C . PHE D 2 16 ? 3.199 -26.363 -75.284 1.00 63.92 ? 16 PHE D C 1 ATOM 7642 O O . PHE D 2 16 ? 3.455 -27.230 -76.115 1.00 64.62 ? 16 PHE D O 1 ATOM 7643 C CB . PHE D 2 16 ? 1.013 -25.211 -75.527 1.00 66.14 ? 16 PHE D CB 1 ATOM 7644 C CG . PHE D 2 16 ? 0.211 -24.023 -75.985 1.00 75.48 ? 16 PHE D CG 1 ATOM 7645 C CD1 . PHE D 2 16 ? -0.319 -23.134 -75.063 1.00 75.04 ? 16 PHE D CD1 1 ATOM 7646 C CD2 . PHE D 2 16 ? -0.048 -23.816 -77.337 1.00 74.02 ? 16 PHE D CD2 1 ATOM 7647 C CE1 . PHE D 2 16 ? -1.073 -22.044 -75.479 1.00 78.14 ? 16 PHE D CE1 1 ATOM 7648 C CE2 . PHE D 2 16 ? -0.799 -22.729 -77.761 1.00 72.49 ? 16 PHE D CE2 1 ATOM 7649 C CZ . PHE D 2 16 ? -1.313 -21.841 -76.831 1.00 78.06 ? 16 PHE D CZ 1 ATOM 7650 N N . VAL D 2 17 ? 3.476 -26.499 -73.992 1.00 58.06 ? 17 VAL D N 1 ATOM 7651 C CA . VAL D 2 17 ? 4.010 -27.739 -73.440 1.00 55.66 ? 17 VAL D CA 1 ATOM 7652 C C . VAL D 2 17 ? 3.353 -28.043 -72.096 1.00 59.93 ? 17 VAL D C 1 ATOM 7653 O O . VAL D 2 17 ? 3.077 -27.134 -71.306 1.00 54.19 ? 17 VAL D O 1 ATOM 7654 C CB . VAL D 2 17 ? 5.541 -27.682 -73.263 1.00 55.79 ? 17 VAL D CB 1 ATOM 7655 C CG1 . VAL D 2 17 ? 6.235 -27.688 -74.616 1.00 51.73 ? 17 VAL D CG1 1 ATOM 7656 C CG2 . VAL D 2 17 ? 5.945 -26.461 -72.452 1.00 52.78 ? 17 VAL D CG2 1 ATOM 7657 N N . ALA D 2 18 ? 3.106 -29.326 -71.841 1.00 79.08 ? 18 ALA D N 1 ATOM 7658 C CA . ALA D 2 18 ? 2.361 -29.747 -70.655 1.00 72.48 ? 18 ALA D CA 1 ATOM 7659 C C . ALA D 2 18 ? 3.271 -30.034 -69.468 1.00 73.71 ? 18 ALA D C 1 ATOM 7660 O O . ALA D 2 18 ? 4.452 -30.336 -69.643 1.00 76.53 ? 18 ALA D O 1 ATOM 7661 C CB . ALA D 2 18 ? 1.516 -30.979 -70.976 1.00 75.03 ? 18 ALA D CB 1 ATOM 7662 N N . GLY D 2 19 ? 2.702 -29.925 -68.267 1.00 60.84 ? 19 GLY D N 1 ATOM 7663 C CA . GLY D 2 19 ? 3.347 -30.332 -67.026 1.00 64.31 ? 19 GLY D CA 1 ATOM 7664 C C . GLY D 2 19 ? 4.756 -29.820 -66.783 1.00 65.52 ? 19 GLY D C 1 ATOM 7665 O O . GLY D 2 19 ? 4.957 -28.661 -66.415 1.00 65.91 ? 19 GLY D O 1 ATOM 7666 N N . GLY D 2 20 ? 5.739 -30.694 -66.978 1.00 70.70 ? 20 GLY D N 1 ATOM 7667 C CA . GLY D 2 20 ? 7.134 -30.297 -66.909 1.00 67.86 ? 20 GLY D CA 1 ATOM 7668 C C . GLY D 2 20 ? 7.516 -29.489 -68.135 1.00 66.23 ? 20 GLY D C 1 ATOM 7669 O O . GLY D 2 20 ? 6.691 -28.745 -68.662 1.00 70.20 ? 20 GLY D O 1 ATOM 7670 N N . VAL D 2 21 ? 8.759 -29.643 -68.587 1.00 67.65 ? 21 VAL D N 1 ATOM 7671 C CA . VAL D 2 21 ? 9.277 -28.952 -69.777 1.00 67.88 ? 21 VAL D CA 1 ATOM 7672 C C . VAL D 2 21 ? 9.287 -27.428 -69.614 1.00 66.54 ? 21 VAL D C 1 ATOM 7673 O O . VAL D 2 21 ? 8.240 -26.791 -69.629 1.00 60.57 ? 21 VAL D O 1 ATOM 7674 C CB . VAL D 2 21 ? 8.469 -29.310 -71.046 1.00 64.52 ? 21 VAL D CB 1 ATOM 7675 C CG1 . VAL D 2 21 ? 9.028 -28.585 -72.254 1.00 60.93 ? 21 VAL D CG1 1 ATOM 7676 C CG2 . VAL D 2 21 ? 8.469 -30.822 -71.271 1.00 72.10 ? 21 VAL D CG2 1 ATOM 7677 N N . ALA D 2 22 ? 10.477 -26.849 -69.470 1.00 57.85 ? 22 ALA D N 1 ATOM 7678 C CA . ALA D 2 22 ? 10.611 -25.407 -69.264 1.00 50.05 ? 22 ALA D CA 1 ATOM 7679 C C . ALA D 2 22 ? 10.097 -24.595 -70.456 1.00 50.94 ? 22 ALA D C 1 ATOM 7680 O O . ALA D 2 22 ? 10.007 -25.097 -71.575 1.00 49.27 ? 22 ALA D O 1 ATOM 7681 C CB . ALA D 2 22 ? 12.064 -25.050 -68.976 1.00 42.63 ? 22 ALA D CB 1 ATOM 7682 N N . GLY D 2 23 ? 9.754 -23.336 -70.203 1.00 42.28 ? 23 GLY D N 1 ATOM 7683 C CA . GLY D 2 23 ? 9.299 -22.450 -71.256 1.00 40.99 ? 23 GLY D CA 1 ATOM 7684 C C . GLY D 2 23 ? 10.353 -21.412 -71.590 1.00 39.67 ? 23 GLY D C 1 ATOM 7685 O O . GLY D 2 23 ? 11.244 -21.143 -70.783 1.00 30.69 ? 23 GLY D O 1 ATOM 7686 N N . GLY D 2 24 ? 10.265 -20.838 -72.787 1.00 39.92 ? 24 GLY D N 1 ATOM 7687 C CA . GLY D 2 24 ? 11.170 -19.773 -73.185 1.00 36.61 ? 24 GLY D CA 1 ATOM 7688 C C . GLY D 2 24 ? 11.666 -19.878 -74.614 1.00 34.38 ? 24 GLY D C 1 ATOM 7689 O O . GLY D 2 24 ? 10.910 -20.211 -75.521 1.00 38.44 ? 24 GLY D O 1 ATOM 7690 N N . TYR D 2 25 ? 12.946 -19.588 -74.813 1.00 37.78 ? 25 TYR D N 1 ATOM 7691 C CA . TYR D 2 25 ? 13.543 -19.610 -76.143 1.00 43.65 ? 25 TYR D CA 1 ATOM 7692 C C . TYR D 2 25 ? 14.569 -20.729 -76.249 1.00 45.99 ? 25 TYR D C 1 ATOM 7693 O O . TYR D 2 25 ? 15.481 -20.820 -75.424 1.00 45.38 ? 25 TYR D O 1 ATOM 7694 C CB . TYR D 2 25 ? 14.198 -18.264 -76.464 1.00 43.21 ? 25 TYR D CB 1 ATOM 7695 C CG . TYR D 2 25 ? 13.239 -17.097 -76.441 1.00 40.17 ? 25 TYR D CG 1 ATOM 7696 C CD1 . TYR D 2 25 ? 12.586 -16.683 -77.595 1.00 36.39 ? 25 TYR D CD1 1 ATOM 7697 C CD2 . TYR D 2 25 ? 12.976 -16.417 -75.259 1.00 35.95 ? 25 TYR D CD2 1 ATOM 7698 C CE1 . TYR D 2 25 ? 11.707 -15.620 -77.570 1.00 30.74 ? 25 TYR D CE1 1 ATOM 7699 C CE2 . TYR D 2 25 ? 12.098 -15.359 -75.225 1.00 33.55 ? 25 TYR D CE2 1 ATOM 7700 C CZ . TYR D 2 25 ? 11.467 -14.961 -76.384 1.00 28.78 ? 25 TYR D CZ 1 ATOM 7701 O OH . TYR D 2 25 ? 10.591 -13.897 -76.346 1.00 25.64 ? 25 TYR D OH 1 ATOM 7702 N N . PHE D 2 26 ? 14.421 -21.566 -77.275 1.00 44.40 ? 26 PHE D N 1 ATOM 7703 C CA . PHE D 2 26 ? 15.249 -22.765 -77.421 1.00 51.76 ? 26 PHE D CA 1 ATOM 7704 C C . PHE D 2 26 ? 15.748 -22.946 -78.855 1.00 50.26 ? 26 PHE D C 1 ATOM 7705 O O . PHE D 2 26 ? 15.480 -22.117 -79.719 1.00 48.22 ? 26 PHE D O 1 ATOM 7706 C CB . PHE D 2 26 ? 14.465 -24.005 -76.984 1.00 46.41 ? 26 PHE D CB 1 ATOM 7707 C CG . PHE D 2 26 ? 13.808 -23.864 -75.642 1.00 46.99 ? 26 PHE D CG 1 ATOM 7708 C CD1 . PHE D 2 26 ? 14.502 -24.163 -74.486 1.00 48.98 ? 26 PHE D CD1 1 ATOM 7709 C CD2 . PHE D 2 26 ? 12.496 -23.435 -75.534 1.00 48.38 ? 26 PHE D CD2 1 ATOM 7710 C CE1 . PHE D 2 26 ? 13.908 -24.036 -73.246 1.00 44.68 ? 26 PHE D CE1 1 ATOM 7711 C CE2 . PHE D 2 26 ? 11.897 -23.300 -74.290 1.00 45.59 ? 26 PHE D CE2 1 ATOM 7712 C CZ . PHE D 2 26 ? 12.607 -23.606 -73.145 1.00 43.45 ? 26 PHE D CZ 1 ATOM 7713 N N . TRP D 2 27 ? 16.475 -24.034 -79.100 1.00 54.83 ? 27 TRP D N 1 ATOM 7714 C CA . TRP D 2 27 ? 16.968 -24.354 -80.441 1.00 49.89 ? 27 TRP D CA 1 ATOM 7715 C C . TRP D 2 27 ? 16.317 -25.619 -80.996 1.00 55.39 ? 27 TRP D C 1 ATOM 7716 O O . TRP D 2 27 ? 16.355 -26.670 -80.359 1.00 60.52 ? 27 TRP D O 1 ATOM 7717 C CB . TRP D 2 27 ? 18.488 -24.522 -80.429 1.00 48.62 ? 27 TRP D CB 1 ATOM 7718 C CG . TRP D 2 27 ? 19.245 -23.247 -80.598 1.00 47.39 ? 27 TRP D CG 1 ATOM 7719 C CD1 . TRP D 2 27 ? 20.060 -22.646 -79.682 1.00 51.32 ? 27 TRP D CD1 1 ATOM 7720 C CD2 . TRP D 2 27 ? 19.261 -22.411 -81.759 1.00 50.60 ? 27 TRP D CD2 1 ATOM 7721 N NE1 . TRP D 2 27 ? 20.586 -21.490 -80.205 1.00 53.69 ? 27 TRP D NE1 1 ATOM 7722 C CE2 . TRP D 2 27 ? 20.109 -21.323 -81.480 1.00 50.35 ? 27 TRP D CE2 1 ATOM 7723 C CE3 . TRP D 2 27 ? 18.638 -22.477 -83.010 1.00 52.19 ? 27 TRP D CE3 1 ATOM 7724 C CZ2 . TRP D 2 27 ? 20.347 -20.307 -82.402 1.00 51.75 ? 27 TRP D CZ2 1 ATOM 7725 C CZ3 . TRP D 2 27 ? 18.879 -21.471 -83.924 1.00 49.17 ? 27 TRP D CZ3 1 ATOM 7726 C CH2 . TRP D 2 27 ? 19.724 -20.400 -83.616 1.00 50.62 ? 27 TRP D CH2 1 ATOM 7727 N N . GLY D 2 28 ? 15.726 -25.513 -82.184 1.00 58.43 ? 28 GLY D N 1 ATOM 7728 C CA . GLY D 2 28 ? 15.060 -26.636 -82.819 1.00 60.31 ? 28 GLY D CA 1 ATOM 7729 C C . GLY D 2 28 ? 15.707 -27.001 -84.140 1.00 66.65 ? 28 GLY D C 1 ATOM 7730 O O . GLY D 2 28 ? 16.018 -26.132 -84.962 1.00 62.32 ? 28 GLY D O 1 ATOM 7731 N N . ARG D 2 29 ? 15.918 -28.296 -84.353 1.00 66.17 ? 29 ARG D N 1 ATOM 7732 C CA . ARG D 2 29 ? 16.622 -28.738 -85.555 1.00 70.02 ? 29 ARG D CA 1 ATOM 7733 C C . ARG D 2 29 ? 15.758 -29.669 -86.439 1.00 81.99 ? 29 ARG D C 1 ATOM 7734 O O . ARG D 2 29 ? 14.541 -29.654 -86.322 1.00 84.04 ? 29 ARG D O 1 ATOM 7735 C CB . ARG D 2 29 ? 17.946 -29.385 -85.168 1.00 66.63 ? 29 ARG D CB 1 ATOM 7736 C CG . ARG D 2 29 ? 18.787 -28.471 -84.260 1.00 63.91 ? 29 ARG D CG 1 ATOM 7737 C CD . ARG D 2 29 ? 20.247 -28.878 -84.088 1.00 61.35 ? 29 ARG D CD 1 ATOM 7738 N NE . ARG D 2 29 ? 20.874 -29.212 -85.362 1.00 69.10 ? 29 ARG D NE 1 ATOM 7739 C CZ . ARG D 2 29 ? 22.180 -29.377 -85.543 1.00 67.86 ? 29 ARG D CZ 1 ATOM 7740 N NH1 . ARG D 2 29 ? 23.026 -29.235 -84.529 1.00 62.13 ? 29 ARG D NH1 1 ATOM 7741 N NH2 . ARG D 2 29 ? 22.638 -29.688 -86.749 1.00 64.40 ? 29 ARG D NH2 1 ATOM 7742 N N . SER D 2 30 ? 16.364 -30.466 -87.325 1.00 106.93 ? 30 SER D N 1 ATOM 7743 C CA . SER D 2 30 ? 15.608 -30.929 -88.500 1.00 110.57 ? 30 SER D CA 1 ATOM 7744 C C . SER D 2 30 ? 15.726 -32.357 -89.053 1.00 121.60 ? 30 SER D C 1 ATOM 7745 O O . SER D 2 30 ? 15.514 -33.362 -88.357 1.00 122.77 ? 30 SER D O 1 ATOM 7746 C CB . SER D 2 30 ? 15.941 -30.020 -89.657 1.00 104.97 ? 30 SER D CB 1 ATOM 7747 O OG . SER D 2 30 ? 14.904 -30.068 -90.611 1.00 109.17 ? 30 SER D OG 1 ATOM 7748 N N . ASN D 2 31 ? 16.082 -32.409 -90.338 1.00 119.37 ? 31 ASN D N 1 ATOM 7749 C CA . ASN D 2 31 ? 15.921 -33.606 -91.173 1.00 122.97 ? 31 ASN D CA 1 ATOM 7750 C C . ASN D 2 31 ? 16.949 -34.695 -90.878 1.00 127.48 ? 31 ASN D C 1 ATOM 7751 O O . ASN D 2 31 ? 16.962 -35.287 -89.797 1.00 125.56 ? 31 ASN D O 1 ATOM 7752 C CB . ASN D 2 31 ? 16.000 -33.244 -92.662 1.00 121.71 ? 31 ASN D CB 1 ATOM 7753 C CG . ASN D 2 31 ? 15.421 -31.872 -92.961 1.00 120.12 ? 31 ASN D CG 1 ATOM 7754 O OD1 . ASN D 2 31 ? 16.035 -31.057 -93.652 1.00 119.36 ? 31 ASN D OD1 1 ATOM 7755 N ND2 . ASN D 2 31 ? 14.225 -31.614 -92.448 1.00 116.19 ? 31 ASN D ND2 1 ATOM 7756 N N . GLY D 2 32 ? 17.803 -34.963 -91.861 1.00 137.51 ? 32 GLY D N 1 ATOM 7757 C CA . GLY D 2 32 ? 18.856 -35.951 -91.728 1.00 140.43 ? 32 GLY D CA 1 ATOM 7758 C C . GLY D 2 32 ? 18.796 -37.039 -92.783 1.00 149.01 ? 32 GLY D C 1 ATOM 7759 O O . GLY D 2 32 ? 19.335 -36.881 -93.879 1.00 149.53 ? 32 GLY D O 1 ATOM 7760 N N . GLY D 2 33 ? 18.130 -38.142 -92.451 1.00 150.14 ? 33 GLY D N 1 ATOM 7761 C CA . GLY D 2 33 ? 18.155 -39.331 -93.285 1.00 148.59 ? 33 GLY D CA 1 ATOM 7762 C C . GLY D 2 33 ? 17.041 -39.456 -94.307 1.00 147.41 ? 33 GLY D C 1 ATOM 7763 O O . GLY D 2 33 ? 17.182 -40.178 -95.294 1.00 145.34 ? 33 GLY D O 1 ATOM 7764 N N . GLY D 2 34 ? 15.934 -38.760 -94.075 1.00 147.50 ? 34 GLY D N 1 ATOM 7765 C CA . GLY D 2 34 ? 14.790 -38.840 -94.965 1.00 146.97 ? 34 GLY D CA 1 ATOM 7766 C C . GLY D 2 34 ? 14.015 -40.134 -94.783 1.00 150.56 ? 34 GLY D C 1 ATOM 7767 O O . GLY D 2 34 ? 14.298 -41.134 -95.447 1.00 147.08 ? 34 GLY D O 1 ATOM 7768 N N . GLY D 2 35 ? 13.037 -40.116 -93.881 1.00 153.29 ? 35 GLY D N 1 ATOM 7769 C CA . GLY D 2 35 ? 12.715 -38.923 -93.114 1.00 149.31 ? 35 GLY D CA 1 ATOM 7770 C C . GLY D 2 35 ? 13.200 -38.994 -91.676 1.00 145.19 ? 35 GLY D C 1 ATOM 7771 O O . GLY D 2 35 ? 13.112 -40.043 -91.038 1.00 143.40 ? 35 GLY D O 1 ATOM 7772 N N . GLY D 2 36 ? 13.708 -37.874 -91.167 1.00 138.83 ? 36 GLY D N 1 ATOM 7773 C CA . GLY D 2 36 ? 14.220 -37.801 -89.810 1.00 132.35 ? 36 GLY D CA 1 ATOM 7774 C C . GLY D 2 36 ? 13.124 -37.826 -88.765 1.00 130.09 ? 36 GLY D C 1 ATOM 7775 O O . GLY D 2 36 ? 12.089 -38.462 -88.954 1.00 125.38 ? 36 GLY D O 1 ATOM 7776 N N . ALA D 2 37 ? 13.349 -37.125 -87.658 1.00 140.75 ? 37 ALA D N 1 ATOM 7777 C CA . ALA D 2 37 ? 12.386 -37.100 -86.556 1.00 138.81 ? 37 ALA D CA 1 ATOM 7778 C C . ALA D 2 37 ? 12.479 -35.785 -85.788 1.00 135.07 ? 37 ALA D C 1 ATOM 7779 O O . ALA D 2 37 ? 11.620 -35.470 -84.966 1.00 135.66 ? 37 ALA D O 1 ATOM 7780 C CB . ALA D 2 37 ? 12.610 -38.293 -85.619 1.00 134.93 ? 37 ALA D CB 1 ATOM 7781 N N . SER D 2 38 ? 13.548 -35.043 -86.067 1.00 134.28 ? 38 SER D N 1 ATOM 7782 C CA . SER D 2 38 ? 13.787 -33.695 -85.551 1.00 127.37 ? 38 SER D CA 1 ATOM 7783 C C . SER D 2 38 ? 14.036 -33.588 -84.044 1.00 125.73 ? 38 SER D C 1 ATOM 7784 O O . SER D 2 38 ? 13.878 -34.551 -83.282 1.00 131.16 ? 38 SER D O 1 ATOM 7785 C CB . SER D 2 38 ? 12.632 -32.779 -85.941 1.00 128.53 ? 38 SER D CB 1 ATOM 7786 O OG . SER D 2 38 ? 12.525 -32.675 -87.352 1.00 131.59 ? 38 SER D OG 1 ATOM 7787 N N . VAL D 2 39 ? 14.454 -32.387 -83.650 1.00 97.53 ? 39 VAL D N 1 ATOM 7788 C CA . VAL D 2 39 ? 15.028 -32.128 -82.337 1.00 88.62 ? 39 VAL D CA 1 ATOM 7789 C C . VAL D 2 39 ? 14.529 -30.817 -81.735 1.00 81.03 ? 39 VAL D C 1 ATOM 7790 O O . VAL D 2 39 ? 14.289 -29.836 -82.441 1.00 78.39 ? 39 VAL D O 1 ATOM 7791 C CB . VAL D 2 39 ? 16.585 -32.039 -82.403 1.00 85.25 ? 39 VAL D CB 1 ATOM 7792 C CG1 . VAL D 2 39 ? 17.200 -32.110 -81.020 1.00 80.65 ? 39 VAL D CG1 1 ATOM 7793 C CG2 . VAL D 2 39 ? 17.174 -33.109 -83.308 1.00 83.33 ? 39 VAL D CG2 1 ATOM 7794 N N . SER D 2 40 ? 14.389 -30.800 -80.420 1.00 79.57 ? 40 SER D N 1 ATOM 7795 C CA . SER D 2 40 ? 14.315 -29.542 -79.712 1.00 76.33 ? 40 SER D CA 1 ATOM 7796 C C . SER D 2 40 ? 15.270 -29.630 -78.549 1.00 74.01 ? 40 SER D C 1 ATOM 7797 O O . SER D 2 40 ? 15.111 -30.484 -77.675 1.00 71.71 ? 40 SER D O 1 ATOM 7798 C CB . SER D 2 40 ? 12.904 -29.236 -79.223 1.00 69.59 ? 40 SER D CB 1 ATOM 7799 O OG . SER D 2 40 ? 12.912 -28.070 -78.415 1.00 64.49 ? 40 SER D OG 1 ATOM 7800 N N . SER D 2 41 ? 16.264 -28.753 -78.531 1.00 78.01 ? 41 SER D N 1 ATOM 7801 C CA . SER D 2 41 ? 17.170 -28.709 -77.400 1.00 79.41 ? 41 SER D CA 1 ATOM 7802 C C . SER D 2 41 ? 16.417 -28.222 -76.172 1.00 79.91 ? 41 SER D C 1 ATOM 7803 O O . SER D 2 41 ? 15.197 -28.389 -76.034 1.00 85.19 ? 41 SER D O 1 ATOM 7804 C CB . SER D 2 41 ? 18.360 -27.787 -77.678 1.00 74.01 ? 41 SER D CB 1 ATOM 7805 O OG . SER D 2 41 ? 18.013 -26.433 -77.440 1.00 78.60 ? 41 SER D OG 1 ATOM 7806 N N . THR D 2 42 ? 17.173 -27.631 -75.267 1.00 91.17 ? 42 THR D N 1 ATOM 7807 C CA . THR D 2 42 ? 16.599 -26.821 -74.219 1.00 99.06 ? 42 THR D CA 1 ATOM 7808 C C . THR D 2 42 ? 17.677 -25.780 -74.011 1.00 101.24 ? 42 THR D C 1 ATOM 7809 O O . THR D 2 42 ? 18.827 -26.019 -74.393 1.00 98.38 ? 42 THR D O 1 ATOM 7810 C CB . THR D 2 42 ? 16.279 -27.621 -72.946 1.00 96.66 ? 42 THR D CB 1 ATOM 7811 O OG1 . THR D 2 42 ? 15.739 -28.902 -73.309 1.00 99.12 ? 42 THR D OG1 1 ATOM 7812 C CG2 . THR D 2 42 ? 15.275 -26.868 -72.096 1.00 86.57 ? 42 THR D CG2 1 ATOM 7813 N N . GLN D 2 43 ? 17.304 -24.639 -73.441 1.00 101.32 ? 43 GLN D N 1 ATOM 7814 C CA . GLN D 2 43 ? 18.186 -23.490 -73.224 1.00 102.51 ? 43 GLN D CA 1 ATOM 7815 C C . GLN D 2 43 ? 19.097 -23.025 -74.396 1.00 105.21 ? 43 GLN D C 1 ATOM 7816 O O . GLN D 2 43 ? 19.457 -23.781 -75.300 1.00 105.46 ? 43 GLN D O 1 ATOM 7817 C CB . GLN D 2 43 ? 19.046 -23.730 -71.981 1.00 111.66 ? 43 GLN D CB 1 ATOM 7818 C CG . GLN D 2 43 ? 18.340 -24.399 -70.800 1.00 108.10 ? 43 GLN D CG 1 ATOM 7819 C CD . GLN D 2 43 ? 18.497 -25.933 -70.708 1.00 109.89 ? 43 GLN D CD 1 ATOM 7820 O OE1 . GLN D 2 43 ? 19.389 -26.500 -71.303 1.00 109.05 ? 43 GLN D OE1 1 ATOM 7821 N NE2 . GLN D 2 43 ? 17.646 -26.586 -69.914 1.00 112.42 ? 43 GLN D NE2 1 ATOM 7822 N N . ALA D 2 44 ? 19.409 -21.733 -74.398 1.00 99.34 ? 44 ALA D N 1 ATOM 7823 C CA . ALA D 2 44 ? 20.365 -21.178 -75.355 1.00 98.65 ? 44 ALA D CA 1 ATOM 7824 C C . ALA D 2 44 ? 21.052 -19.948 -74.767 1.00 98.80 ? 44 ALA D C 1 ATOM 7825 O O . ALA D 2 44 ? 20.587 -19.370 -73.779 1.00 99.23 ? 44 ALA D O 1 ATOM 7826 C CB . ALA D 2 44 ? 19.679 -20.830 -76.666 1.00 92.01 ? 44 ALA D CB 1 ATOM 7827 N N . GLY D 2 45 ? 22.155 -19.542 -75.385 1.00 93.00 ? 45 GLY D N 1 ATOM 7828 C CA . GLY D 2 45 ? 22.914 -18.403 -74.903 1.00 88.41 ? 45 GLY D CA 1 ATOM 7829 C C . GLY D 2 45 ? 22.373 -17.069 -75.386 1.00 85.51 ? 45 GLY D C 1 ATOM 7830 O O . GLY D 2 45 ? 23.145 -16.162 -75.687 1.00 87.11 ? 45 GLY D O 1 ATOM 7831 N N . PHE D 2 46 ? 21.050 -16.940 -75.451 1.00 70.94 ? 46 PHE D N 1 ATOM 7832 C CA . PHE D 2 46 ? 20.425 -15.715 -75.944 1.00 67.34 ? 46 PHE D CA 1 ATOM 7833 C C . PHE D 2 46 ? 20.349 -14.610 -74.894 1.00 63.51 ? 46 PHE D C 1 ATOM 7834 O O . PHE D 2 46 ? 19.259 -14.141 -74.564 1.00 56.56 ? 46 PHE D O 1 ATOM 7835 C CB . PHE D 2 46 ? 19.018 -16.008 -76.447 1.00 63.47 ? 46 PHE D CB 1 ATOM 7836 C CG . PHE D 2 46 ? 18.975 -16.954 -77.595 1.00 67.52 ? 46 PHE D CG 1 ATOM 7837 C CD1 . PHE D 2 46 ? 20.012 -16.999 -78.508 1.00 67.79 ? 46 PHE D CD1 1 ATOM 7838 C CD2 . PHE D 2 46 ? 17.899 -17.811 -77.759 1.00 67.66 ? 46 PHE D CD2 1 ATOM 7839 C CE1 . PHE D 2 46 ? 19.972 -17.878 -79.573 1.00 71.62 ? 46 PHE D CE1 1 ATOM 7840 C CE2 . PHE D 2 46 ? 17.850 -18.695 -78.819 1.00 69.69 ? 46 PHE D CE2 1 ATOM 7841 C CZ . PHE D 2 46 ? 18.887 -18.729 -79.729 1.00 69.98 ? 46 PHE D CZ 1 ATOM 7842 N N . ASP D 2 47 ? 21.496 -14.182 -74.377 1.00 72.77 ? 47 ASP D N 1 ATOM 7843 C CA . ASP D 2 47 ? 21.499 -13.148 -73.349 1.00 75.99 ? 47 ASP D CA 1 ATOM 7844 C C . ASP D 2 47 ? 21.191 -11.779 -73.956 1.00 73.57 ? 47 ASP D C 1 ATOM 7845 O O . ASP D 2 47 ? 20.965 -10.810 -73.232 1.00 70.97 ? 47 ASP D O 1 ATOM 7846 C CB . ASP D 2 47 ? 22.836 -13.111 -72.607 1.00 83.89 ? 47 ASP D CB 1 ATOM 7847 C CG . ASP D 2 47 ? 23.953 -12.530 -73.445 1.00 83.15 ? 47 ASP D CG 1 ATOM 7848 O OD1 . ASP D 2 47 ? 24.173 -13.016 -74.574 1.00 87.38 ? 47 ASP D OD1 1 ATOM 7849 O OD2 . ASP D 2 47 ? 24.602 -11.572 -72.975 1.00 90.92 ? 47 ASP D OD2 1 ATOM 7850 N N . LYS D 2 48 ? 21.190 -11.706 -75.285 1.00 52.11 ? 48 LYS D N 1 ATOM 7851 C CA . LYS D 2 48 ? 20.721 -10.513 -75.977 1.00 47.69 ? 48 LYS D CA 1 ATOM 7852 C C . LYS D 2 48 ? 19.252 -10.281 -75.657 1.00 47.27 ? 48 LYS D C 1 ATOM 7853 O O . LYS D 2 48 ? 18.823 -9.156 -75.419 1.00 44.19 ? 48 LYS D O 1 ATOM 7854 C CB . LYS D 2 48 ? 20.898 -10.633 -77.489 1.00 40.79 ? 48 LYS D CB 1 ATOM 7855 C CG . LYS D 2 48 ? 20.418 -9.390 -78.236 1.00 44.57 ? 48 LYS D CG 1 ATOM 7856 C CD . LYS D 2 48 ? 20.098 -9.673 -79.699 1.00 44.38 ? 48 LYS D CD 1 ATOM 7857 C CE . LYS D 2 48 ? 19.973 -8.388 -80.492 1.00 45.59 ? 48 LYS D CE 1 ATOM 7858 N NZ . LYS D 2 48 ? 18.970 -7.458 -79.891 1.00 42.42 ? 48 LYS D NZ 1 ATOM 7859 N N . ILE D 2 49 ? 18.484 -11.364 -75.659 1.00 50.05 ? 49 ILE D N 1 ATOM 7860 C CA . ILE D 2 49 ? 17.065 -11.291 -75.367 1.00 44.36 ? 49 ILE D CA 1 ATOM 7861 C C . ILE D 2 49 ? 16.833 -10.802 -73.951 1.00 48.67 ? 49 ILE D C 1 ATOM 7862 O O . ILE D 2 49 ? 15.992 -9.927 -73.718 1.00 42.70 ? 49 ILE D O 1 ATOM 7863 C CB . ILE D 2 49 ? 16.389 -12.651 -75.546 1.00 44.72 ? 49 ILE D CB 1 ATOM 7864 C CG1 . ILE D 2 49 ? 16.590 -13.152 -76.975 1.00 42.72 ? 49 ILE D CG1 1 ATOM 7865 C CG2 . ILE D 2 49 ? 14.903 -12.552 -75.213 1.00 45.46 ? 49 ILE D CG2 1 ATOM 7866 C CD1 . ILE D 2 49 ? 15.914 -14.475 -77.250 1.00 50.56 ? 49 ILE D CD1 1 ATOM 7867 N N . GLY D 2 50 ? 17.593 -11.368 -73.015 1.00 37.81 ? 50 GLY D N 1 ATOM 7868 C CA . GLY D 2 50 ? 17.459 -11.032 -71.611 1.00 30.52 ? 50 GLY D CA 1 ATOM 7869 C C . GLY D 2 50 ? 17.661 -9.555 -71.361 1.00 32.90 ? 50 GLY D C 1 ATOM 7870 O O . GLY D 2 50 ? 16.850 -8.917 -70.687 1.00 34.95 ? 50 GLY D O 1 ATOM 7871 N N . LYS D 2 51 ? 18.742 -9.012 -71.912 1.00 38.17 ? 51 LYS D N 1 ATOM 7872 C CA . LYS D 2 51 ? 19.045 -7.594 -71.767 1.00 41.29 ? 51 LYS D CA 1 ATOM 7873 C C . LYS D 2 51 ? 17.975 -6.752 -72.450 1.00 41.47 ? 51 LYS D C 1 ATOM 7874 O O . LYS D 2 51 ? 17.570 -5.713 -71.935 1.00 44.71 ? 51 LYS D O 1 ATOM 7875 C CB . LYS D 2 51 ? 20.428 -7.270 -72.338 1.00 41.72 ? 51 LYS D CB 1 ATOM 7876 C CG . LYS D 2 51 ? 21.569 -7.968 -71.606 1.00 50.13 ? 51 LYS D CG 1 ATOM 7877 C CD . LYS D 2 51 ? 22.910 -7.761 -72.305 1.00 56.04 ? 51 LYS D CD 1 ATOM 7878 C CE . LYS D 2 51 ? 24.086 -8.222 -71.433 1.00 56.01 ? 51 LYS D CE 1 ATOM 7879 N NZ . LYS D 2 51 ? 24.181 -7.507 -70.119 1.00 57.46 ? 51 LYS D NZ 1 ATOM 7880 N N . ASP D 2 52 ? 17.508 -7.220 -73.602 1.00 33.82 ? 52 ASP D N 1 ATOM 7881 C CA . ASP D 2 52 ? 16.457 -6.530 -74.326 1.00 31.41 ? 52 ASP D CA 1 ATOM 7882 C C . ASP D 2 52 ? 15.169 -6.466 -73.514 1.00 33.98 ? 52 ASP D C 1 ATOM 7883 O O . ASP D 2 52 ? 14.545 -5.412 -73.422 1.00 35.29 ? 52 ASP D O 1 ATOM 7884 C CB . ASP D 2 52 ? 16.201 -7.205 -75.672 1.00 34.50 ? 52 ASP D CB 1 ATOM 7885 C CG . ASP D 2 52 ? 17.293 -6.905 -76.695 1.00 40.50 ? 52 ASP D CG 1 ATOM 7886 O OD1 . ASP D 2 52 ? 18.172 -6.053 -76.416 1.00 35.11 ? 52 ASP D OD1 1 ATOM 7887 O OD2 . ASP D 2 52 ? 17.267 -7.522 -77.783 1.00 38.86 ? 52 ASP D OD2 1 ATOM 7888 N N . ILE D 2 53 ? 14.779 -7.589 -72.920 1.00 32.01 ? 53 ILE D N 1 ATOM 7889 C CA . ILE D 2 53 ? 13.553 -7.643 -72.132 1.00 30.76 ? 53 ILE D CA 1 ATOM 7890 C C . ILE D 2 53 ? 13.651 -6.671 -70.961 1.00 30.09 ? 53 ILE D C 1 ATOM 7891 O O . ILE D 2 53 ? 12.724 -5.918 -70.700 1.00 33.84 ? 53 ILE D O 1 ATOM 7892 C CB . ILE D 2 53 ? 13.261 -9.073 -71.613 1.00 26.57 ? 53 ILE D CB 1 ATOM 7893 C CG1 . ILE D 2 53 ? 12.884 -9.998 -72.768 1.00 31.16 ? 53 ILE D CG1 1 ATOM 7894 C CG2 . ILE D 2 53 ? 12.141 -9.062 -70.603 1.00 24.77 ? 53 ILE D CG2 1 ATOM 7895 C CD1 . ILE D 2 53 ? 12.556 -11.413 -72.342 1.00 21.35 ? 53 ILE D CD1 1 ATOM 7896 N N . GLN D 2 54 ? 14.795 -6.678 -70.285 1.00 50.96 ? 54 GLN D N 1 ATOM 7897 C CA . GLN D 2 54 ? 15.020 -5.820 -69.128 1.00 56.54 ? 54 GLN D CA 1 ATOM 7898 C C . GLN D 2 54 ? 14.956 -4.344 -69.499 1.00 57.51 ? 54 GLN D C 1 ATOM 7899 O O . GLN D 2 54 ? 14.327 -3.542 -68.800 1.00 60.81 ? 54 GLN D O 1 ATOM 7900 C CB . GLN D 2 54 ? 16.372 -6.128 -68.481 1.00 56.12 ? 54 GLN D CB 1 ATOM 7901 C CG . GLN D 2 54 ? 16.927 -4.976 -67.672 1.00 53.98 ? 54 GLN D CG 1 ATOM 7902 C CD . GLN D 2 54 ? 18.441 -4.975 -67.614 1.00 74.85 ? 54 GLN D CD 1 ATOM 7903 O OE1 . GLN D 2 54 ? 19.112 -4.584 -68.571 1.00 77.29 ? 54 GLN D OE1 1 ATOM 7904 N NE2 . GLN D 2 54 ? 18.989 -5.396 -66.481 1.00 79.98 ? 54 GLN D NE2 1 ATOM 7905 N N . GLN D 2 55 ? 15.608 -3.985 -70.598 1.00 40.51 ? 55 GLN D N 1 ATOM 7906 C CA . GLN D 2 55 ? 15.537 -2.615 -71.070 1.00 42.13 ? 55 GLN D CA 1 ATOM 7907 C C . GLN D 2 55 ? 14.107 -2.234 -71.459 1.00 42.32 ? 55 GLN D C 1 ATOM 7908 O O . GLN D 2 55 ? 13.643 -1.130 -71.161 1.00 37.69 ? 55 GLN D O 1 ATOM 7909 C CB . GLN D 2 55 ? 16.465 -2.405 -72.257 1.00 44.45 ? 55 GLN D CB 1 ATOM 7910 C CG . GLN D 2 55 ? 16.404 -0.991 -72.802 1.00 44.44 ? 55 GLN D CG 1 ATOM 7911 C CD . GLN D 2 55 ? 17.386 -0.757 -73.921 1.00 56.16 ? 55 GLN D CD 1 ATOM 7912 O OE1 . GLN D 2 55 ? 17.151 0.075 -74.799 1.00 56.78 ? 55 GLN D OE1 1 ATOM 7913 N NE2 . GLN D 2 55 ? 18.496 -1.494 -73.904 1.00 58.59 ? 55 GLN D NE2 1 ATOM 7914 N N . LEU D 2 56 ? 13.408 -3.147 -72.124 1.00 38.18 ? 56 LEU D N 1 ATOM 7915 C CA . LEU D 2 56 ? 12.063 -2.837 -72.594 1.00 40.73 ? 56 LEU D CA 1 ATOM 7916 C C . LEU D 2 56 ? 11.139 -2.582 -71.415 1.00 42.58 ? 56 LEU D C 1 ATOM 7917 O O . LEU D 2 56 ? 10.411 -1.590 -71.386 1.00 41.08 ? 56 LEU D O 1 ATOM 7918 C CB . LEU D 2 56 ? 11.511 -3.961 -73.465 1.00 35.47 ? 56 LEU D CB 1 ATOM 7919 C CG . LEU D 2 56 ? 12.118 -4.076 -74.862 1.00 39.32 ? 56 LEU D CG 1 ATOM 7920 C CD1 . LEU D 2 56 ? 11.543 -5.283 -75.579 1.00 35.33 ? 56 LEU D CD1 1 ATOM 7921 C CD2 . LEU D 2 56 ? 11.883 -2.807 -75.661 1.00 35.58 ? 56 LEU D CD2 1 ATOM 7922 N N . ARG D 2 57 ? 11.192 -3.465 -70.424 1.00 59.68 ? 57 ARG D N 1 ATOM 7923 C CA . ARG D 2 57 ? 10.300 -3.346 -69.282 1.00 60.70 ? 57 ARG D CA 1 ATOM 7924 C C . ARG D 2 57 ? 10.610 -2.103 -68.458 1.00 57.10 ? 57 ARG D C 1 ATOM 7925 O O . ARG D 2 57 ? 9.705 -1.492 -67.890 1.00 60.08 ? 57 ARG D O 1 ATOM 7926 C CB . ARG D 2 57 ? 10.370 -4.590 -68.405 1.00 58.83 ? 57 ARG D CB 1 ATOM 7927 C CG . ARG D 2 57 ? 9.013 -5.221 -68.181 1.00 67.84 ? 57 ARG D CG 1 ATOM 7928 C CD . ARG D 2 57 ? 8.899 -5.799 -66.787 1.00 74.55 ? 57 ARG D CD 1 ATOM 7929 N NE . ARG D 2 57 ? 10.169 -6.340 -66.313 1.00 82.48 ? 57 ARG D NE 1 ATOM 7930 C CZ . ARG D 2 57 ? 10.702 -6.060 -65.128 1.00 83.22 ? 57 ARG D CZ 1 ATOM 7931 N NH1 . ARG D 2 57 ? 10.072 -5.240 -64.296 1.00 81.83 ? 57 ARG D NH1 1 ATOM 7932 N NH2 . ARG D 2 57 ? 11.863 -6.598 -64.774 1.00 88.76 ? 57 ARG D NH2 1 ATOM 7933 N N . ASN D 2 58 ? 11.876 -1.712 -68.403 1.00 37.71 ? 58 ASN D N 1 ATOM 7934 C CA . ASN D 2 58 ? 12.207 -0.478 -67.707 1.00 43.30 ? 58 ASN D CA 1 ATOM 7935 C C . ASN D 2 58 ? 11.675 0.751 -68.444 1.00 41.17 ? 58 ASN D C 1 ATOM 7936 O O . ASN D 2 58 ? 11.427 1.790 -67.831 1.00 38.14 ? 58 ASN D O 1 ATOM 7937 C CB . ASN D 2 58 ? 13.716 -0.340 -67.495 1.00 47.58 ? 58 ASN D CB 1 ATOM 7938 C CG . ASN D 2 58 ? 14.040 0.651 -66.398 1.00 51.61 ? 58 ASN D CG 1 ATOM 7939 O OD1 . ASN D 2 58 ? 14.108 0.288 -65.226 1.00 48.99 ? 58 ASN D OD1 1 ATOM 7940 N ND2 . ASN D 2 58 ? 14.222 1.915 -66.769 1.00 55.20 ? 58 ASN D ND2 1 ATOM 7941 N N . ASP D 2 59 ? 11.491 0.627 -69.755 1.00 36.87 ? 59 ASP D N 1 ATOM 7942 C CA . ASP D 2 59 ? 10.980 1.731 -70.556 1.00 33.38 ? 59 ASP D CA 1 ATOM 7943 C C . ASP D 2 59 ? 9.491 1.976 -70.348 1.00 38.20 ? 59 ASP D C 1 ATOM 7944 O O . ASP D 2 59 ? 8.961 2.987 -70.804 1.00 37.34 ? 59 ASP D O 1 ATOM 7945 C CB . ASP D 2 59 ? 11.238 1.483 -72.037 1.00 31.31 ? 59 ASP D CB 1 ATOM 7946 C CG . ASP D 2 59 ? 12.697 1.606 -72.404 1.00 40.46 ? 59 ASP D CG 1 ATOM 7947 O OD1 . ASP D 2 59 ? 13.483 2.140 -71.589 1.00 42.41 ? 59 ASP D OD1 1 ATOM 7948 O OD2 . ASP D 2 59 ? 13.055 1.164 -73.518 1.00 43.38 ? 59 ASP D OD2 1 ATOM 7949 N N . THR D 2 60 ? 8.810 1.051 -69.679 1.00 37.86 ? 60 THR D N 1 ATOM 7950 C CA . THR D 2 60 ? 7.378 1.200 -69.459 1.00 40.71 ? 60 THR D CA 1 ATOM 7951 C C . THR D 2 60 ? 7.107 2.214 -68.350 1.00 43.14 ? 60 THR D C 1 ATOM 7952 O O . THR D 2 60 ? 6.019 2.792 -68.275 1.00 42.33 ? 60 THR D O 1 ATOM 7953 C CB . THR D 2 60 ? 6.714 -0.149 -69.112 1.00 39.33 ? 60 THR D CB 1 ATOM 7954 O OG1 . THR D 2 60 ? 7.051 -0.528 -67.772 1.00 42.11 ? 60 THR D OG1 1 ATOM 7955 C CG2 . THR D 2 60 ? 7.181 -1.218 -70.073 1.00 32.85 ? 60 THR D CG2 1 ATOM 7956 N N . ASN D 2 61 ? 8.112 2.439 -67.508 1.00 46.35 ? 61 ASN D N 1 ATOM 7957 C CA . ASN D 2 61 ? 8.008 3.388 -66.405 1.00 43.19 ? 61 ASN D CA 1 ATOM 7958 C C . ASN D 2 61 ? 7.637 4.789 -66.872 1.00 47.09 ? 61 ASN D C 1 ATOM 7959 O O . ASN D 2 61 ? 6.961 5.527 -66.157 1.00 48.59 ? 61 ASN D O 1 ATOM 7960 C CB . ASN D 2 61 ? 9.319 3.434 -65.618 1.00 45.60 ? 61 ASN D CB 1 ATOM 7961 C CG . ASN D 2 61 ? 9.620 2.122 -64.910 1.00 52.28 ? 61 ASN D CG 1 ATOM 7962 O OD1 . ASN D 2 61 ? 8.709 1.420 -64.466 1.00 54.38 ? 61 ASN D OD1 1 ATOM 7963 N ND2 . ASN D 2 61 ? 10.901 1.785 -64.802 1.00 48.06 ? 61 ASN D ND2 1 ATOM 7964 N N . ALA D 2 62 ? 8.072 5.150 -68.074 1.00 48.51 ? 62 ALA D N 1 ATOM 7965 C CA . ALA D 2 62 ? 7.716 6.442 -68.651 1.00 48.67 ? 62 ALA D CA 1 ATOM 7966 C C . ALA D 2 62 ? 6.196 6.610 -68.733 1.00 47.47 ? 62 ALA D C 1 ATOM 7967 O O . ALA D 2 62 ? 5.633 7.552 -68.172 1.00 49.10 ? 62 ALA D O 1 ATOM 7968 C CB . ALA D 2 62 ? 8.348 6.598 -70.027 1.00 49.22 ? 62 ALA D CB 1 ATOM 7969 N N . ALA D 2 63 ? 5.535 5.683 -69.419 1.00 46.15 ? 63 ALA D N 1 ATOM 7970 C CA . ALA D 2 63 ? 4.082 5.724 -69.562 1.00 42.71 ? 63 ALA D CA 1 ATOM 7971 C C . ALA D 2 63 ? 3.361 5.565 -68.222 1.00 41.72 ? 63 ALA D C 1 ATOM 7972 O O . ALA D 2 63 ? 2.306 6.159 -68.001 1.00 41.39 ? 63 ALA D O 1 ATOM 7973 C CB . ALA D 2 63 ? 3.624 4.649 -70.527 1.00 42.12 ? 63 ALA D CB 1 ATOM 7974 N N . ILE D 2 64 ? 3.932 4.756 -67.338 1.00 37.00 ? 64 ILE D N 1 ATOM 7975 C CA . ILE D 2 64 ? 3.313 4.467 -66.052 1.00 41.51 ? 64 ILE D CA 1 ATOM 7976 C C . ILE D 2 64 ? 3.319 5.692 -65.142 1.00 42.11 ? 64 ILE D C 1 ATOM 7977 O O . ILE D 2 64 ? 2.296 6.045 -64.555 1.00 41.00 ? 64 ILE D O 1 ATOM 7978 C CB . ILE D 2 64 ? 4.025 3.305 -65.340 1.00 39.42 ? 64 ILE D CB 1 ATOM 7979 C CG1 . ILE D 2 64 ? 3.867 2.015 -66.136 1.00 40.44 ? 64 ILE D CG1 1 ATOM 7980 C CG2 . ILE D 2 64 ? 3.457 3.099 -63.954 1.00 46.88 ? 64 ILE D CG2 1 ATOM 7981 C CD1 . ILE D 2 64 ? 4.805 0.923 -65.680 1.00 45.05 ? 64 ILE D CD1 1 ATOM 7982 N N . GLU D 2 65 ? 4.479 6.333 -65.033 1.00 48.06 ? 65 GLU D N 1 ATOM 7983 C CA . GLU D 2 65 ? 4.626 7.556 -64.249 1.00 45.22 ? 65 GLU D CA 1 ATOM 7984 C C . GLU D 2 65 ? 3.752 8.678 -64.802 1.00 44.68 ? 65 GLU D C 1 ATOM 7985 O O . GLU D 2 65 ? 3.283 9.541 -64.056 1.00 39.46 ? 65 GLU D O 1 ATOM 7986 C CB . GLU D 2 65 ? 6.089 8.004 -64.226 1.00 46.47 ? 65 GLU D CB 1 ATOM 7987 C CG . GLU D 2 65 ? 7.030 7.074 -63.465 1.00 51.79 ? 65 GLU D CG 1 ATOM 7988 C CD . GLU D 2 65 ? 8.482 7.232 -63.897 1.00 59.14 ? 65 GLU D CD 1 ATOM 7989 O OE1 . GLU D 2 65 ? 9.375 6.748 -63.174 1.00 59.84 ? 65 GLU D OE1 1 ATOM 7990 O OE2 . GLU D 2 65 ? 8.732 7.833 -64.967 1.00 63.31 ? 65 GLU D OE2 1 ATOM 7991 N N . GLY D 2 66 ? 3.553 8.670 -66.116 1.00 37.74 ? 66 GLY D N 1 ATOM 7992 C CA . GLY D 2 66 ? 2.711 9.657 -66.760 1.00 33.72 ? 66 GLY D CA 1 ATOM 7993 C C . GLY D 2 66 ? 1.290 9.576 -66.236 1.00 39.70 ? 66 GLY D C 1 ATOM 7994 O O . GLY D 2 66 ? 0.720 10.580 -65.801 1.00 39.95 ? 66 GLY D O 1 ATOM 7995 N N . PHE D 2 67 ? 0.722 8.372 -66.265 1.00 44.19 ? 67 PHE D N 1 ATOM 7996 C CA . PHE D 2 67 ? -0.629 8.156 -65.762 1.00 44.68 ? 67 PHE D CA 1 ATOM 7997 C C . PHE D 2 67 ? -0.733 8.480 -64.278 1.00 40.99 ? 67 PHE D C 1 ATOM 7998 O O . PHE D 2 67 ? -1.620 9.226 -63.858 1.00 40.24 ? 67 PHE D O 1 ATOM 7999 C CB . PHE D 2 67 ? -1.080 6.712 -65.995 1.00 36.64 ? 67 PHE D CB 1 ATOM 8000 C CG . PHE D 2 67 ? -2.423 6.398 -65.384 1.00 44.10 ? 67 PHE D CG 1 ATOM 8001 C CD1 . PHE D 2 67 ? -2.517 5.871 -64.099 1.00 39.99 ? 67 PHE D CD1 1 ATOM 8002 C CD2 . PHE D 2 67 ? -3.595 6.649 -66.088 1.00 38.58 ? 67 PHE D CD2 1 ATOM 8003 C CE1 . PHE D 2 67 ? -3.756 5.591 -63.530 1.00 41.93 ? 67 PHE D CE1 1 ATOM 8004 C CE2 . PHE D 2 67 ? -4.842 6.363 -65.525 1.00 41.26 ? 67 PHE D CE2 1 ATOM 8005 C CZ . PHE D 2 67 ? -4.921 5.838 -64.244 1.00 37.07 ? 67 PHE D CZ 1 ATOM 8006 N N . ASN D 2 68 ? 0.174 7.904 -63.492 1.00 41.47 ? 68 ASN D N 1 ATOM 8007 C CA . ASN D 2 68 ? 0.120 8.010 -62.039 1.00 43.92 ? 68 ASN D CA 1 ATOM 8008 C C . ASN D 2 68 ? 0.268 9.441 -61.529 1.00 43.46 ? 68 ASN D C 1 ATOM 8009 O O . ASN D 2 68 ? -0.121 9.741 -60.399 1.00 37.50 ? 68 ASN D O 1 ATOM 8010 C CB . ASN D 2 68 ? 1.191 7.117 -61.407 1.00 42.79 ? 68 ASN D CB 1 ATOM 8011 C CG . ASN D 2 68 ? 0.686 5.705 -61.130 1.00 48.31 ? 68 ASN D CG 1 ATOM 8012 O OD1 . ASN D 2 68 ? -0.402 5.516 -60.582 1.00 43.49 ? 68 ASN D OD1 1 ATOM 8013 N ND2 . ASN D 2 68 ? 1.471 4.707 -61.522 1.00 47.49 ? 68 ASN D ND2 1 ATOM 8014 N N . GLY D 2 69 ? 0.812 10.318 -62.369 1.00 45.84 ? 69 GLY D N 1 ATOM 8015 C CA . GLY D 2 69 ? 1.025 11.703 -61.997 1.00 43.89 ? 69 GLY D CA 1 ATOM 8016 C C . GLY D 2 69 ? -0.123 12.629 -62.352 1.00 52.00 ? 69 GLY D C 1 ATOM 8017 O O . GLY D 2 69 ? -0.118 13.799 -61.973 1.00 56.49 ? 69 GLY D O 1 ATOM 8018 N N . ARG D 2 70 ? -1.112 12.118 -63.078 1.00 46.49 ? 70 ARG D N 1 ATOM 8019 C CA . ARG D 2 70 ? -2.227 12.957 -63.500 1.00 44.70 ? 70 ARG D CA 1 ATOM 8020 C C . ARG D 2 70 ? -3.459 12.729 -62.624 1.00 45.40 ? 70 ARG D C 1 ATOM 8021 O O . ARG D 2 70 ? -4.126 11.698 -62.715 1.00 48.23 ? 70 ARG D O 1 ATOM 8022 C CB . ARG D 2 70 ? -2.552 12.700 -64.967 1.00 43.69 ? 70 ARG D CB 1 ATOM 8023 C CG . ARG D 2 70 ? -3.568 13.665 -65.561 1.00 49.47 ? 70 ARG D CG 1 ATOM 8024 C CD . ARG D 2 70 ? -3.590 13.547 -67.078 1.00 51.08 ? 70 ARG D CD 1 ATOM 8025 N NE . ARG D 2 70 ? -3.411 12.163 -67.517 1.00 57.07 ? 70 ARG D NE 1 ATOM 8026 C CZ . ARG D 2 70 ? -2.356 11.717 -68.193 1.00 53.13 ? 70 ARG D CZ 1 ATOM 8027 N NH1 . ARG D 2 70 ? -1.373 12.547 -68.523 1.00 47.47 ? 70 ARG D NH1 1 ATOM 8028 N NH2 . ARG D 2 70 ? -2.289 10.439 -68.545 1.00 56.48 ? 70 ARG D NH2 1 ATOM 8029 N N . ILE D 2 71 ? -3.746 13.699 -61.766 1.00 35.59 ? 71 ILE D N 1 ATOM 8030 C CA . ILE D 2 71 ? -4.845 13.588 -60.817 1.00 39.46 ? 71 ILE D CA 1 ATOM 8031 C C . ILE D 2 71 ? -5.698 14.857 -60.902 1.00 36.67 ? 71 ILE D C 1 ATOM 8032 O O . ILE D 2 71 ? -5.188 15.966 -60.743 1.00 39.51 ? 71 ILE D O 1 ATOM 8033 C CB . ILE D 2 71 ? -4.321 13.367 -59.369 1.00 36.67 ? 71 ILE D CB 1 ATOM 8034 C CG1 . ILE D 2 71 ? -3.294 12.231 -59.336 1.00 37.87 ? 71 ILE D CG1 1 ATOM 8035 C CG2 . ILE D 2 71 ? -5.466 13.046 -58.415 1.00 35.88 ? 71 ILE D CG2 1 ATOM 8036 C CD1 . ILE D 2 71 ? -2.618 12.040 -57.993 1.00 35.05 ? 71 ILE D CD1 1 ATOM 8037 N N . ALA D 2 72 ? -6.991 14.691 -61.166 1.00 28.14 ? 72 ALA D N 1 ATOM 8038 C CA . ALA D 2 72 ? -7.864 15.827 -61.462 1.00 30.59 ? 72 ALA D CA 1 ATOM 8039 C C . ALA D 2 72 ? -8.168 16.687 -60.228 1.00 31.99 ? 72 ALA D C 1 ATOM 8040 O O . ALA D 2 72 ? -8.473 16.171 -59.154 1.00 30.04 ? 72 ALA D O 1 ATOM 8041 C CB . ALA D 2 72 ? -9.169 15.334 -62.092 1.00 23.62 ? 72 ALA D CB 1 ATOM 8042 N N . HIS D 2 73 ? -8.086 18.003 -60.396 1.00 35.12 ? 73 HIS D N 1 ATOM 8043 C CA . HIS D 2 73 ? -8.416 18.931 -59.322 1.00 33.39 ? 73 HIS D CA 1 ATOM 8044 C C . HIS D 2 73 ? -9.894 18.824 -58.986 1.00 31.42 ? 73 HIS D C 1 ATOM 8045 O O . HIS D 2 73 ? -10.713 18.514 -59.851 1.00 36.66 ? 73 HIS D O 1 ATOM 8046 C CB . HIS D 2 73 ? -8.070 20.370 -59.708 1.00 26.97 ? 73 HIS D CB 1 ATOM 8047 C CG . HIS D 2 73 ? -8.286 21.357 -58.606 1.00 26.23 ? 73 HIS D CG 1 ATOM 8048 N ND1 . HIS D 2 73 ? -9.469 22.045 -58.443 1.00 27.56 ? 73 HIS D ND1 1 ATOM 8049 C CD2 . HIS D 2 73 ? -7.471 21.768 -57.606 1.00 28.52 ? 73 HIS D CD2 1 ATOM 8050 C CE1 . HIS D 2 73 ? -9.374 22.840 -57.393 1.00 28.71 ? 73 HIS D CE1 1 ATOM 8051 N NE2 . HIS D 2 73 ? -8.172 22.691 -56.867 1.00 31.47 ? 73 HIS D NE2 1 ATOM 8052 N N . ASP D 2 74 ? -10.228 19.086 -57.731 1.00 27.27 ? 74 ASP D N 1 ATOM 8053 C CA . ASP D 2 74 ? -11.603 18.971 -57.269 1.00 30.43 ? 74 ASP D CA 1 ATOM 8054 C C . ASP D 2 74 ? -11.818 19.886 -56.076 1.00 26.87 ? 74 ASP D C 1 ATOM 8055 O O . ASP D 2 74 ? -10.867 20.306 -55.427 1.00 27.93 ? 74 ASP D O 1 ATOM 8056 C CB . ASP D 2 74 ? -11.917 17.515 -56.905 1.00 31.25 ? 74 ASP D CB 1 ATOM 8057 C CG . ASP D 2 74 ? -13.394 17.274 -56.663 1.00 33.97 ? 74 ASP D CG 1 ATOM 8058 O OD1 . ASP D 2 74 ? -14.207 18.120 -57.083 1.00 37.97 ? 74 ASP D OD1 1 ATOM 8059 O OD2 . ASP D 2 74 ? -13.743 16.236 -56.059 1.00 35.70 ? 74 ASP D OD2 1 ATOM 8060 N N . GLU D 2 75 ? -13.067 20.213 -55.794 1.00 30.31 ? 75 GLU D N 1 ATOM 8061 C CA . GLU D 2 75 ? -13.381 20.949 -54.580 1.00 30.88 ? 75 GLU D CA 1 ATOM 8062 C C . GLU D 2 75 ? -14.796 20.605 -54.145 1.00 29.35 ? 75 GLU D C 1 ATOM 8063 O O . GLU D 2 75 ? -15.752 20.831 -54.888 1.00 30.19 ? 75 GLU D O 1 ATOM 8064 C CB . GLU D 2 75 ? -13.227 22.460 -54.793 1.00 26.27 ? 75 GLU D CB 1 ATOM 8065 C CG . GLU D 2 75 ? -13.837 23.298 -53.686 1.00 26.79 ? 75 GLU D CG 1 ATOM 8066 C CD . GLU D 2 75 ? -13.427 24.758 -53.747 1.00 30.51 ? 75 GLU D CD 1 ATOM 8067 O OE1 . GLU D 2 75 ? -13.782 25.506 -52.811 1.00 30.67 ? 75 GLU D OE1 1 ATOM 8068 O OE2 . GLU D 2 75 ? -12.754 25.165 -54.722 1.00 33.73 ? 75 GLU D OE2 1 ATOM 8069 N N . GLN D 2 76 ? -14.925 20.038 -52.950 1.00 27.20 ? 76 GLN D N 1 ATOM 8070 C CA . GLN D 2 76 ? -16.237 19.692 -52.408 1.00 26.10 ? 76 GLN D CA 1 ATOM 8071 C C . GLN D 2 76 ? -16.428 20.289 -51.009 1.00 27.61 ? 76 GLN D C 1 ATOM 8072 O O . GLN D 2 76 ? -15.687 19.968 -50.087 1.00 23.58 ? 76 GLN D O 1 ATOM 8073 C CB . GLN D 2 76 ? -16.416 18.167 -52.373 1.00 27.99 ? 76 GLN D CB 1 ATOM 8074 C CG . GLN D 2 76 ? -16.353 17.481 -53.746 1.00 29.86 ? 76 GLN D CG 1 ATOM 8075 C CD . GLN D 2 76 ? -16.487 15.953 -53.667 1.00 38.99 ? 76 GLN D CD 1 ATOM 8076 O OE1 . GLN D 2 76 ? -17.122 15.417 -52.752 1.00 31.68 ? 76 GLN D OE1 1 ATOM 8077 N NE2 . GLN D 2 76 ? -15.881 15.250 -54.633 1.00 23.93 ? 76 GLN D NE2 1 ATOM 8078 N N . ALA D 2 77 ? -17.419 21.161 -50.858 1.00 28.89 ? 77 ALA D N 1 ATOM 8079 C CA . ALA D 2 77 ? -17.708 21.773 -49.563 1.00 30.91 ? 77 ALA D CA 1 ATOM 8080 C C . ALA D 2 77 ? -18.720 20.957 -48.759 1.00 33.97 ? 77 ALA D C 1 ATOM 8081 O O . ALA D 2 77 ? -18.837 21.106 -47.536 1.00 33.71 ? 77 ALA D O 1 ATOM 8082 C CB . ALA D 2 77 ? -18.220 23.200 -49.754 1.00 21.77 ? 77 ALA D CB 1 ATOM 8083 N N . ILE D 2 78 ? -19.440 20.092 -49.463 1.00 36.03 ? 78 ILE D N 1 ATOM 8084 C CA . ILE D 2 78 ? -20.585 19.375 -48.912 1.00 39.71 ? 78 ILE D CA 1 ATOM 8085 C C . ILE D 2 78 ? -20.088 18.277 -47.957 1.00 39.29 ? 78 ILE D C 1 ATOM 8086 O O . ILE D 2 78 ? -18.969 17.784 -48.098 1.00 39.39 ? 78 ILE D O 1 ATOM 8087 C CB . ILE D 2 78 ? -21.450 18.799 -50.062 1.00 44.82 ? 78 ILE D CB 1 ATOM 8088 C CG1 . ILE D 2 78 ? -22.861 19.410 -50.045 1.00 43.88 ? 78 ILE D CG1 1 ATOM 8089 C CG2 . ILE D 2 78 ? -21.436 17.262 -50.033 1.00 50.32 ? 78 ILE D CG2 1 ATOM 8090 C CD1 . ILE D 2 78 ? -22.933 20.917 -50.341 1.00 40.79 ? 78 ILE D CD1 1 ATOM 8091 N N . LYS D 2 79 ? -20.893 17.917 -46.964 1.00 29.22 ? 79 LYS D N 1 ATOM 8092 C CA . LYS D 2 79 ? -20.411 17.030 -45.905 1.00 30.58 ? 79 LYS D CA 1 ATOM 8093 C C . LYS D 2 79 ? -20.653 15.530 -46.152 1.00 34.37 ? 79 LYS D C 1 ATOM 8094 O O . LYS D 2 79 ? -19.974 14.685 -45.561 1.00 32.46 ? 79 LYS D O 1 ATOM 8095 C CB . LYS D 2 79 ? -21.035 17.451 -44.575 1.00 24.16 ? 79 LYS D CB 1 ATOM 8096 C CG . LYS D 2 79 ? -20.573 18.822 -44.110 1.00 30.05 ? 79 LYS D CG 1 ATOM 8097 C CD . LYS D 2 79 ? -19.113 18.796 -43.650 1.00 22.86 ? 79 LYS D CD 1 ATOM 8098 C CE . LYS D 2 79 ? -18.822 19.964 -42.708 1.00 23.76 ? 79 LYS D CE 1 ATOM 8099 N NZ . LYS D 2 79 ? -17.763 19.632 -41.706 1.00 28.59 ? 79 LYS D NZ 1 ATOM 8100 N N . ASN D 2 80 ? -21.609 15.196 -47.016 1.00 51.69 ? 80 ASN D N 1 ATOM 8101 C CA . ASN D 2 80 ? -21.832 13.791 -47.366 1.00 58.64 ? 80 ASN D CA 1 ATOM 8102 C C . ASN D 2 80 ? -21.051 13.357 -48.594 1.00 56.84 ? 80 ASN D C 1 ATOM 8103 O O . ASN D 2 80 ? -20.949 14.096 -49.578 1.00 56.53 ? 80 ASN D O 1 ATOM 8104 C CB . ASN D 2 80 ? -23.313 13.489 -47.604 1.00 58.80 ? 80 ASN D CB 1 ATOM 8105 C CG . ASN D 2 80 ? -24.190 13.900 -46.443 1.00 60.64 ? 80 ASN D CG 1 ATOM 8106 O OD1 . ASN D 2 80 ? -23.998 13.432 -45.316 1.00 69.85 ? 80 ASN D OD1 1 ATOM 8107 N ND2 . ASN D 2 80 ? -25.180 14.751 -46.714 1.00 66.14 ? 80 ASN D ND2 1 ATOM 8108 N N . LEU D 2 81 ? -20.483 12.158 -48.516 1.00 37.05 ? 81 LEU D N 1 ATOM 8109 C CA . LEU D 2 81 ? -19.780 11.563 -49.642 1.00 28.85 ? 81 LEU D CA 1 ATOM 8110 C C . LEU D 2 81 ? -20.720 11.377 -50.825 1.00 27.15 ? 81 LEU D C 1 ATOM 8111 O O . LEU D 2 81 ? -21.818 10.855 -50.671 1.00 35.41 ? 81 LEU D O 1 ATOM 8112 C CB . LEU D 2 81 ? -19.174 10.225 -49.240 1.00 27.89 ? 81 LEU D CB 1 ATOM 8113 C CG . LEU D 2 81 ? -18.310 9.585 -50.319 1.00 34.35 ? 81 LEU D CG 1 ATOM 8114 C CD1 . LEU D 2 81 ? -16.964 10.308 -50.408 1.00 29.17 ? 81 LEU D CD1 1 ATOM 8115 C CD2 . LEU D 2 81 ? -18.143 8.101 -50.053 1.00 28.87 ? 81 LEU D CD2 1 ATOM 8116 N N . ALA D 2 82 ? -20.291 11.822 -52.000 1.00 23.61 ? 82 ALA D N 1 ATOM 8117 C CA . ALA D 2 82 ? -21.060 11.634 -53.231 1.00 24.08 ? 82 ALA D CA 1 ATOM 8118 C C . ALA D 2 82 ? -20.593 10.353 -53.910 1.00 19.53 ? 82 ALA D C 1 ATOM 8119 O O . ALA D 2 82 ? -19.836 10.385 -54.878 1.00 20.08 ? 82 ALA D O 1 ATOM 8120 C CB . ALA D 2 82 ? -20.897 12.837 -54.163 1.00 21.30 ? 82 ALA D CB 1 ATOM 8121 N N . LYS D 2 83 ? -21.045 9.224 -53.384 1.00 33.09 ? 83 LYS D N 1 ATOM 8122 C CA . LYS D 2 83 ? -20.435 7.932 -53.689 1.00 33.82 ? 83 LYS D CA 1 ATOM 8123 C C . LYS D 2 83 ? -20.527 7.556 -55.166 1.00 33.40 ? 83 LYS D C 1 ATOM 8124 O O . LYS D 2 83 ? -19.535 7.133 -55.756 1.00 37.23 ? 83 LYS D O 1 ATOM 8125 C CB . LYS D 2 83 ? -21.077 6.845 -52.826 1.00 35.78 ? 83 LYS D CB 1 ATOM 8126 C CG . LYS D 2 83 ? -20.347 5.528 -52.839 1.00 39.64 ? 83 LYS D CG 1 ATOM 8127 C CD . LYS D 2 83 ? -21.097 4.489 -52.020 1.00 42.68 ? 83 LYS D CD 1 ATOM 8128 C CE . LYS D 2 83 ? -20.423 3.132 -52.110 1.00 44.52 ? 83 LYS D CE 1 ATOM 8129 N NZ . LYS D 2 83 ? -20.314 2.674 -53.528 1.00 46.65 ? 83 LYS D NZ 1 ATOM 8130 N N . GLU D 2 84 ? -21.711 7.723 -55.757 1.00 29.84 ? 84 GLU D N 1 ATOM 8131 C CA . GLU D 2 84 ? -21.946 7.374 -57.161 1.00 28.48 ? 84 GLU D CA 1 ATOM 8132 C C . GLU D 2 84 ? -21.119 8.219 -58.113 1.00 25.86 ? 84 GLU D C 1 ATOM 8133 O O . GLU D 2 84 ? -20.626 7.718 -59.117 1.00 23.72 ? 84 GLU D O 1 ATOM 8134 C CB . GLU D 2 84 ? -23.426 7.528 -57.524 1.00 26.96 ? 84 GLU D CB 1 ATOM 8135 C CG . GLU D 2 84 ? -24.326 6.477 -56.926 1.00 27.06 ? 84 GLU D CG 1 ATOM 8136 C CD . GLU D 2 84 ? -24.636 6.726 -55.461 1.00 37.40 ? 84 GLU D CD 1 ATOM 8137 O OE1 . GLU D 2 84 ? -24.661 7.905 -55.035 1.00 29.88 ? 84 GLU D OE1 1 ATOM 8138 O OE2 . GLU D 2 84 ? -24.865 5.731 -54.736 1.00 50.34 ? 84 GLU D OE2 1 ATOM 8139 N N . ILE D 2 85 ? -20.990 9.507 -57.808 1.00 37.33 ? 85 ILE D N 1 ATOM 8140 C CA . ILE D 2 85 ? -20.163 10.389 -58.618 1.00 36.16 ? 85 ILE D CA 1 ATOM 8141 C C . ILE D 2 85 ? -18.722 9.935 -58.489 1.00 35.14 ? 85 ILE D C 1 ATOM 8142 O O . ILE D 2 85 ? -18.006 9.806 -59.481 1.00 39.89 ? 85 ILE D O 1 ATOM 8143 C CB . ILE D 2 85 ? -20.299 11.861 -58.199 1.00 35.78 ? 85 ILE D CB 1 ATOM 8144 C CG1 . ILE D 2 85 ? -21.726 12.357 -58.454 1.00 40.25 ? 85 ILE D CG1 1 ATOM 8145 C CG2 . ILE D 2 85 ? -19.319 12.721 -58.969 1.00 37.01 ? 85 ILE D CG2 1 ATOM 8146 C CD1 . ILE D 2 85 ? -21.969 13.820 -58.042 1.00 37.04 ? 85 ILE D CD1 1 ATOM 8147 N N . GLU D 2 86 ? -18.325 9.652 -57.255 1.00 38.38 ? 86 GLU D N 1 ATOM 8148 C CA . GLU D 2 86 ? -16.984 9.181 -56.947 1.00 37.97 ? 86 GLU D CA 1 ATOM 8149 C C . GLU D 2 86 ? -16.669 7.882 -57.693 1.00 40.19 ? 86 GLU D C 1 ATOM 8150 O O . GLU D 2 86 ? -15.604 7.738 -58.290 1.00 40.45 ? 86 GLU D O 1 ATOM 8151 C CB . GLU D 2 86 ? -16.841 8.987 -55.435 1.00 44.34 ? 86 GLU D CB 1 ATOM 8152 C CG . GLU D 2 86 ? -15.406 8.941 -54.937 1.00 50.20 ? 86 GLU D CG 1 ATOM 8153 C CD . GLU D 2 86 ? -14.944 10.261 -54.341 1.00 47.19 ? 86 GLU D CD 1 ATOM 8154 O OE1 . GLU D 2 86 ? -15.791 11.138 -54.036 1.00 40.63 ? 86 GLU D OE1 1 ATOM 8155 O OE2 . GLU D 2 86 ? -13.718 10.417 -54.185 1.00 52.31 ? 86 GLU D OE2 1 ATOM 8156 N N . ASP D 2 87 ? -17.607 6.940 -57.667 1.00 32.48 ? 87 ASP D N 1 ATOM 8157 C CA . ASP D 2 87 ? -17.439 5.676 -58.380 1.00 32.64 ? 87 ASP D CA 1 ATOM 8158 C C . ASP D 2 87 ? -17.429 5.840 -59.900 1.00 30.60 ? 87 ASP D C 1 ATOM 8159 O O . ASP D 2 87 ? -16.733 5.109 -60.607 1.00 31.05 ? 87 ASP D O 1 ATOM 8160 C CB . ASP D 2 87 ? -18.533 4.702 -57.970 1.00 29.09 ? 87 ASP D CB 1 ATOM 8161 C CG . ASP D 2 87 ? -18.397 4.268 -56.532 1.00 35.12 ? 87 ASP D CG 1 ATOM 8162 O OD1 . ASP D 2 87 ? -17.513 4.819 -55.848 1.00 39.15 ? 87 ASP D OD1 1 ATOM 8163 O OD2 . ASP D 2 87 ? -19.164 3.392 -56.083 1.00 37.87 ? 87 ASP D OD2 1 ATOM 8164 N N . ALA D 2 88 ? -18.185 6.805 -60.403 1.00 22.27 ? 88 ALA D N 1 ATOM 8165 C CA . ALA D 2 88 ? -18.245 7.018 -61.840 1.00 25.10 ? 88 ALA D CA 1 ATOM 8166 C C . ALA D 2 88 ? -16.896 7.500 -62.363 1.00 28.81 ? 88 ALA D C 1 ATOM 8167 O O . ALA D 2 88 ? -16.425 7.047 -63.408 1.00 30.23 ? 88 ALA D O 1 ATOM 8168 C CB . ALA D 2 88 ? -19.337 8.007 -62.188 1.00 21.28 ? 88 ALA D CB 1 ATOM 8169 N N . ARG D 2 89 ? -16.278 8.413 -61.621 1.00 30.91 ? 89 ARG D N 1 ATOM 8170 C CA . ARG D 2 89 ? -14.975 8.963 -61.986 1.00 31.08 ? 89 ARG D CA 1 ATOM 8171 C C . ARG D 2 89 ? -13.877 7.913 -61.937 1.00 26.97 ? 89 ARG D C 1 ATOM 8172 O O . ARG D 2 89 ? -13.000 7.889 -62.796 1.00 30.49 ? 89 ARG D O 1 ATOM 8173 C CB . ARG D 2 89 ? -14.603 10.118 -61.059 1.00 31.04 ? 89 ARG D CB 1 ATOM 8174 C CG . ARG D 2 89 ? -15.509 11.311 -61.154 1.00 28.65 ? 89 ARG D CG 1 ATOM 8175 C CD . ARG D 2 89 ? -15.146 12.312 -60.081 1.00 34.67 ? 89 ARG D CD 1 ATOM 8176 N NE . ARG D 2 89 ? -15.972 13.508 -60.158 1.00 34.56 ? 89 ARG D NE 1 ATOM 8177 C CZ . ARG D 2 89 ? -15.892 14.517 -59.305 1.00 33.31 ? 89 ARG D CZ 1 ATOM 8178 N NH1 . ARG D 2 89 ? -15.016 14.474 -58.306 1.00 29.53 ? 89 ARG D NH1 1 ATOM 8179 N NH2 . ARG D 2 89 ? -16.688 15.564 -59.452 1.00 31.44 ? 89 ARG D NH2 1 ATOM 8180 N N . ALA D 2 90 ? -13.924 7.062 -60.918 1.00 23.60 ? 90 ALA D N 1 ATOM 8181 C CA . ALA D 2 90 ? -12.939 6.001 -60.755 1.00 24.91 ? 90 ALA D CA 1 ATOM 8182 C C . ALA D 2 90 ? -13.058 4.979 -61.883 1.00 26.13 ? 90 ALA D C 1 ATOM 8183 O O . ALA D 2 90 ? -12.056 4.586 -62.473 1.00 24.78 ? 90 ALA D O 1 ATOM 8184 C CB . ALA D 2 90 ? -13.103 5.332 -59.407 1.00 20.53 ? 90 ALA D CB 1 ATOM 8185 N N . GLU D 2 91 ? -14.289 4.575 -62.195 1.00 32.24 ? 91 GLU D N 1 ATOM 8186 C CA . GLU D 2 91 ? -14.544 3.637 -63.285 1.00 34.97 ? 91 GLU D CA 1 ATOM 8187 C C . GLU D 2 91 ? -14.036 4.178 -64.612 1.00 29.39 ? 91 GLU D C 1 ATOM 8188 O O . GLU D 2 91 ? -13.444 3.450 -65.405 1.00 27.97 ? 91 GLU D O 1 ATOM 8189 C CB . GLU D 2 91 ? -16.040 3.321 -63.406 1.00 36.88 ? 91 GLU D CB 1 ATOM 8190 C CG . GLU D 2 91 ? -16.338 2.261 -64.461 1.00 40.02 ? 91 GLU D CG 1 ATOM 8191 C CD . GLU D 2 91 ? -17.798 2.234 -64.908 1.00 55.45 ? 91 GLU D CD 1 ATOM 8192 O OE1 . GLU D 2 91 ? -18.628 2.978 -64.337 1.00 49.31 ? 91 GLU D OE1 1 ATOM 8193 O OE2 . GLU D 2 91 ? -18.112 1.459 -65.839 1.00 53.73 ? 91 GLU D OE2 1 ATOM 8194 N N . ALA D 2 92 ? -14.281 5.461 -64.847 1.00 28.38 ? 92 ALA D N 1 ATOM 8195 C CA . ALA D 2 92 ? -13.811 6.122 -66.057 1.00 29.92 ? 92 ALA D CA 1 ATOM 8196 C C . ALA D 2 92 ? -12.279 6.147 -66.137 1.00 28.33 ? 92 ALA D C 1 ATOM 8197 O O . ALA D 2 92 ? -11.704 6.001 -67.216 1.00 27.84 ? 92 ALA D O 1 ATOM 8198 C CB . ALA D 2 92 ? -14.361 7.534 -66.129 1.00 25.83 ? 92 ALA D CB 1 ATOM 8199 N N . LEU D 2 93 ? -11.624 6.338 -64.997 1.00 22.36 ? 93 LEU D N 1 ATOM 8200 C CA . LEU D 2 93 ? -10.167 6.436 -64.980 1.00 24.89 ? 93 LEU D CA 1 ATOM 8201 C C . LEU D 2 93 ? -9.533 5.056 -65.149 1.00 23.84 ? 93 LEU D C 1 ATOM 8202 O O . LEU D 2 93 ? -8.539 4.900 -65.854 1.00 25.50 ? 93 LEU D O 1 ATOM 8203 C CB . LEU D 2 93 ? -9.688 7.095 -63.684 1.00 22.71 ? 93 LEU D CB 1 ATOM 8204 C CG . LEU D 2 93 ? -8.208 7.464 -63.619 1.00 25.12 ? 93 LEU D CG 1 ATOM 8205 C CD1 . LEU D 2 93 ? -7.854 8.389 -64.761 1.00 25.34 ? 93 LEU D CD1 1 ATOM 8206 C CD2 . LEU D 2 93 ? -7.872 8.118 -62.287 1.00 33.05 ? 93 LEU D CD2 1 ATOM 8207 N N . VAL D 2 94 ? -10.114 4.059 -64.492 1.00 24.33 ? 94 VAL D N 1 ATOM 8208 C CA . VAL D 2 94 ? -9.719 2.671 -64.693 1.00 26.51 ? 94 VAL D CA 1 ATOM 8209 C C . VAL D 2 94 ? -9.873 2.254 -66.163 1.00 23.73 ? 94 VAL D C 1 ATOM 8210 O O . VAL D 2 94 ? -9.046 1.526 -66.699 1.00 24.26 ? 94 VAL D O 1 ATOM 8211 C CB . VAL D 2 94 ? -10.543 1.731 -63.796 1.00 27.76 ? 94 VAL D CB 1 ATOM 8212 C CG1 . VAL D 2 94 ? -10.270 0.280 -64.147 1.00 26.53 ? 94 VAL D CG1 1 ATOM 8213 C CG2 . VAL D 2 94 ? -10.217 1.993 -62.326 1.00 28.44 ? 94 VAL D CG2 1 ATOM 8214 N N . GLY D 2 95 ? -10.923 2.741 -66.815 1.00 25.10 ? 95 GLY D N 1 ATOM 8215 C CA . GLY D 2 95 ? -11.167 2.426 -68.210 1.00 25.92 ? 95 GLY D CA 1 ATOM 8216 C C . GLY D 2 95 ? -10.125 3.070 -69.103 1.00 32.13 ? 95 GLY D C 1 ATOM 8217 O O . GLY D 2 95 ? -9.669 2.476 -70.085 1.00 30.59 ? 95 GLY D O 1 ATOM 8218 N N . GLU D 2 96 ? -9.742 4.296 -68.766 1.00 26.84 ? 96 GLU D N 1 ATOM 8219 C CA . GLU D 2 96 ? -8.667 4.955 -69.488 1.00 31.13 ? 96 GLU D CA 1 ATOM 8220 C C . GLU D 2 96 ? -7.346 4.212 -69.261 1.00 32.32 ? 96 GLU D C 1 ATOM 8221 O O . GLU D 2 96 ? -6.545 4.039 -70.178 1.00 33.41 ? 96 GLU D O 1 ATOM 8222 C CB . GLU D 2 96 ? -8.542 6.416 -69.062 1.00 28.40 ? 96 GLU D CB 1 ATOM 8223 C CG . GLU D 2 96 ? -7.181 7.005 -69.378 1.00 41.74 ? 96 GLU D CG 1 ATOM 8224 C CD . GLU D 2 96 ? -7.174 8.517 -69.371 1.00 58.64 ? 96 GLU D CD 1 ATOM 8225 O OE1 . GLU D 2 96 ? -8.113 9.117 -68.796 1.00 61.61 ? 96 GLU D OE1 1 ATOM 8226 O OE2 . GLU D 2 96 ? -6.224 9.099 -69.944 1.00 62.47 ? 96 GLU D OE2 1 ATOM 8227 N N . LEU D 2 97 ? -7.130 3.761 -68.034 1.00 27.78 ? 97 LEU D N 1 ATOM 8228 C CA . LEU D 2 97 ? -5.912 3.041 -67.706 1.00 28.40 ? 97 LEU D CA 1 ATOM 8229 C C . LEU D 2 97 ? -5.822 1.720 -68.482 1.00 28.53 ? 97 LEU D C 1 ATOM 8230 O O . LEU D 2 97 ? -4.735 1.293 -68.867 1.00 29.46 ? 97 LEU D O 1 ATOM 8231 C CB . LEU D 2 97 ? -5.840 2.794 -66.201 1.00 24.76 ? 97 LEU D CB 1 ATOM 8232 C CG . LEU D 2 97 ? -4.512 2.223 -65.710 1.00 35.88 ? 97 LEU D CG 1 ATOM 8233 C CD1 . LEU D 2 97 ? -3.355 3.137 -66.102 1.00 34.14 ? 97 LEU D CD1 1 ATOM 8234 C CD2 . LEU D 2 97 ? -4.524 1.955 -64.209 1.00 37.82 ? 97 LEU D CD2 1 ATOM 8235 N N . GLY D 2 98 ? -6.967 1.085 -68.719 1.00 27.14 ? 98 GLY D N 1 ATOM 8236 C CA . GLY D 2 98 ? -7.015 -0.153 -69.479 1.00 24.33 ? 98 GLY D CA 1 ATOM 8237 C C . GLY D 2 98 ? -6.521 0.035 -70.902 1.00 25.12 ? 98 GLY D C 1 ATOM 8238 O O . GLY D 2 98 ? -5.807 -0.812 -71.440 1.00 25.69 ? 98 GLY D O 1 ATOM 8239 N N . ILE D 2 99 ? -6.898 1.159 -71.504 1.00 22.49 ? 99 ILE D N 1 ATOM 8240 C CA . ILE D 2 99 ? -6.459 1.512 -72.842 1.00 25.11 ? 99 ILE D CA 1 ATOM 8241 C C . ILE D 2 99 ? -4.952 1.713 -72.909 1.00 27.33 ? 99 ILE D C 1 ATOM 8242 O O . ILE D 2 99 ? -4.283 1.205 -73.813 1.00 23.79 ? 99 ILE D O 1 ATOM 8243 C CB . ILE D 2 99 ? -7.143 2.787 -73.327 1.00 28.45 ? 99 ILE D CB 1 ATOM 8244 C CG1 . ILE D 2 99 ? -8.662 2.600 -73.311 1.00 24.68 ? 99 ILE D CG1 1 ATOM 8245 C CG2 . ILE D 2 99 ? -6.612 3.185 -74.708 1.00 26.23 ? 99 ILE D CG2 1 ATOM 8246 C CD1 . ILE D 2 99 ? -9.437 3.812 -73.778 1.00 31.54 ? 99 ILE D CD1 1 ATOM 8247 N N . ILE D 2 100 ? -4.422 2.463 -71.950 1.00 29.31 ? 100 ILE D N 1 ATOM 8248 C CA . ILE D 2 100 ? -2.983 2.660 -71.855 1.00 26.28 ? 100 ILE D CA 1 ATOM 8249 C C . ILE D 2 100 ? -2.299 1.314 -71.662 1.00 26.84 ? 100 ILE D C 1 ATOM 8250 O O . ILE D 2 100 ? -1.274 1.029 -72.294 1.00 24.18 ? 100 ILE D O 1 ATOM 8251 C CB . ILE D 2 100 ? -2.621 3.621 -70.708 1.00 28.27 ? 100 ILE D CB 1 ATOM 8252 C CG1 . ILE D 2 100 ? -3.048 5.046 -71.074 1.00 25.75 ? 100 ILE D CG1 1 ATOM 8253 C CG2 . ILE D 2 100 ? -1.132 3.556 -70.391 1.00 19.95 ? 100 ILE D CG2 1 ATOM 8254 C CD1 . ILE D 2 100 ? -2.941 6.023 -69.933 1.00 32.12 ? 100 ILE D CD1 1 ATOM 8255 N N . ARG D 2 101 ? -2.890 0.482 -70.806 1.00 30.07 ? 101 ARG D N 1 ATOM 8256 C CA . ARG D 2 101 ? -2.428 -0.889 -70.602 1.00 30.66 ? 101 ARG D CA 1 ATOM 8257 C C . ARG D 2 101 ? -2.304 -1.657 -71.914 1.00 28.95 ? 101 ARG D C 1 ATOM 8258 O O . ARG D 2 101 ? -1.281 -2.284 -72.187 1.00 26.45 ? 101 ARG D O 1 ATOM 8259 C CB . ARG D 2 101 ? -3.378 -1.644 -69.679 1.00 30.81 ? 101 ARG D CB 1 ATOM 8260 C CG . ARG D 2 101 ? -2.947 -3.071 -69.407 1.00 31.84 ? 101 ARG D CG 1 ATOM 8261 C CD . ARG D 2 101 ? -4.145 -3.971 -69.134 1.00 33.30 ? 101 ARG D CD 1 ATOM 8262 N NE . ARG D 2 101 ? -4.963 -4.207 -70.325 1.00 34.37 ? 101 ARG D NE 1 ATOM 8263 C CZ . ARG D 2 101 ? -4.682 -5.123 -71.250 1.00 35.74 ? 101 ARG D CZ 1 ATOM 8264 N NH1 . ARG D 2 101 ? -3.592 -5.876 -71.122 1.00 27.84 ? 101 ARG D NH1 1 ATOM 8265 N NH2 . ARG D 2 101 ? -5.479 -5.284 -72.302 1.00 28.06 ? 101 ARG D NH2 1 ATOM 8266 N N . SER D 2 102 ? -3.356 -1.607 -72.722 1.00 25.86 ? 102 SER D N 1 ATOM 8267 C CA . SER D 2 102 ? -3.372 -2.334 -73.986 1.00 25.80 ? 102 SER D CA 1 ATOM 8268 C C . SER D 2 102 ? -2.343 -1.791 -74.970 1.00 26.15 ? 102 SER D C 1 ATOM 8269 O O . SER D 2 102 ? -1.776 -2.536 -75.763 1.00 28.23 ? 102 SER D O 1 ATOM 8270 C CB . SER D 2 102 ? -4.762 -2.281 -74.601 1.00 25.27 ? 102 SER D CB 1 ATOM 8271 O OG . SER D 2 102 ? -5.695 -2.953 -73.778 1.00 28.65 ? 102 SER D OG 1 ATOM 8272 N N . LEU D 2 103 ? -2.103 -0.486 -74.915 1.00 27.16 ? 103 LEU D N 1 ATOM 8273 C CA . LEU D 2 103 ? -1.091 0.129 -75.760 1.00 23.48 ? 103 LEU D CA 1 ATOM 8274 C C . LEU D 2 103 ? 0.306 -0.300 -75.319 1.00 25.18 ? 103 LEU D C 1 ATOM 8275 O O . LEU D 2 103 ? 1.128 -0.675 -76.152 1.00 23.84 ? 103 LEU D O 1 ATOM 8276 C CB . LEU D 2 103 ? -1.221 1.654 -75.736 1.00 22.54 ? 103 LEU D CB 1 ATOM 8277 C CG . LEU D 2 103 ? -2.535 2.190 -76.313 1.00 27.68 ? 103 LEU D CG 1 ATOM 8278 C CD1 . LEU D 2 103 ? -2.627 3.702 -76.202 1.00 22.00 ? 103 LEU D CD1 1 ATOM 8279 C CD2 . LEU D 2 103 ? -2.689 1.747 -77.766 1.00 30.48 ? 103 LEU D CD2 1 ATOM 8280 N N . ILE D 2 104 ? 0.571 -0.260 -74.015 1.00 23.44 ? 104 ILE D N 1 ATOM 8281 C CA . ILE D 2 104 ? 1.888 -0.638 -73.511 1.00 29.11 ? 104 ILE D CA 1 ATOM 8282 C C . ILE D 2 104 ? 2.218 -2.099 -73.829 1.00 26.48 ? 104 ILE D C 1 ATOM 8283 O O . ILE D 2 104 ? 3.347 -2.410 -74.209 1.00 25.76 ? 104 ILE D O 1 ATOM 8284 C CB . ILE D 2 104 ? 2.006 -0.414 -71.994 1.00 32.68 ? 104 ILE D CB 1 ATOM 8285 C CG1 . ILE D 2 104 ? 1.917 1.073 -71.668 1.00 29.07 ? 104 ILE D CG1 1 ATOM 8286 C CG2 . ILE D 2 104 ? 3.326 -0.977 -71.460 1.00 25.63 ? 104 ILE D CG2 1 ATOM 8287 C CD1 . ILE D 2 104 ? 2.095 1.368 -70.205 1.00 30.44 ? 104 ILE D CD1 1 ATOM 8288 N N . VAL D 2 105 ? 1.234 -2.984 -73.693 1.00 23.38 ? 105 VAL D N 1 ATOM 8289 C CA . VAL D 2 105 ? 1.453 -4.405 -73.964 1.00 22.65 ? 105 VAL D CA 1 ATOM 8290 C C . VAL D 2 105 ? 1.846 -4.596 -75.419 1.00 22.99 ? 105 VAL D C 1 ATOM 8291 O O . VAL D 2 105 ? 2.832 -5.266 -75.724 1.00 22.61 ? 105 VAL D O 1 ATOM 8292 C CB . VAL D 2 105 ? 0.203 -5.261 -73.642 1.00 22.12 ? 105 VAL D CB 1 ATOM 8293 C CG1 . VAL D 2 105 ? 0.370 -6.673 -74.176 1.00 26.61 ? 105 VAL D CG1 1 ATOM 8294 C CG2 . VAL D 2 105 ? -0.044 -5.298 -72.143 1.00 24.90 ? 105 VAL D CG2 1 ATOM 8295 N N . ALA D 2 106 ? 1.076 -3.982 -76.311 1.00 29.35 ? 106 ALA D N 1 ATOM 8296 C CA . ALA D 2 106 ? 1.365 -4.016 -77.740 1.00 24.25 ? 106 ALA D CA 1 ATOM 8297 C C . ALA D 2 106 ? 2.750 -3.459 -78.022 1.00 24.44 ? 106 ALA D C 1 ATOM 8298 O O . ALA D 2 106 ? 3.514 -4.030 -78.803 1.00 23.78 ? 106 ALA D O 1 ATOM 8299 C CB . ALA D 2 106 ? 0.324 -3.235 -78.502 1.00 23.44 ? 106 ALA D CB 1 ATOM 8300 N N . ASN D 2 107 ? 3.080 -2.352 -77.366 1.00 24.05 ? 107 ASN D N 1 ATOM 8301 C CA . ASN D 2 107 ? 4.369 -1.718 -77.584 1.00 24.39 ? 107 ASN D CA 1 ATOM 8302 C C . ASN D 2 107 ? 5.520 -2.615 -77.146 1.00 24.96 ? 107 ASN D C 1 ATOM 8303 O O . ASN D 2 107 ? 6.577 -2.638 -77.777 1.00 24.92 ? 107 ASN D O 1 ATOM 8304 C CB . ASN D 2 107 ? 4.450 -0.381 -76.854 1.00 25.89 ? 107 ASN D CB 1 ATOM 8305 C CG . ASN D 2 107 ? 5.664 0.424 -77.271 1.00 25.95 ? 107 ASN D CG 1 ATOM 8306 O OD1 . ASN D 2 107 ? 6.002 0.474 -78.450 1.00 29.41 ? 107 ASN D OD1 1 ATOM 8307 N ND2 . ASN D 2 107 ? 6.328 1.050 -76.307 1.00 24.12 ? 107 ASN D ND2 1 ATOM 8308 N N . ILE D 2 108 ? 5.313 -3.345 -76.058 1.00 24.59 ? 108 ILE D N 1 ATOM 8309 C CA . ILE D 2 108 ? 6.307 -4.294 -75.577 1.00 23.74 ? 108 ILE D CA 1 ATOM 8310 C C . ILE D 2 108 ? 6.415 -5.458 -76.559 1.00 27.57 ? 108 ILE D C 1 ATOM 8311 O O . ILE D 2 108 ? 7.513 -5.889 -76.912 1.00 23.14 ? 108 ILE D O 1 ATOM 8312 C CB . ILE D 2 108 ? 5.952 -4.813 -74.168 1.00 25.12 ? 108 ILE D CB 1 ATOM 8313 C CG1 . ILE D 2 108 ? 6.045 -3.677 -73.138 1.00 22.01 ? 108 ILE D CG1 1 ATOM 8314 C CG2 . ILE D 2 108 ? 6.863 -5.966 -73.772 1.00 26.82 ? 108 ILE D CG2 1 ATOM 8315 C CD1 . ILE D 2 108 ? 5.742 -4.121 -71.687 1.00 20.85 ? 108 ILE D CD1 1 ATOM 8316 N N . SER D 2 109 ? 5.260 -5.941 -77.011 1.00 24.70 ? 109 SER D N 1 ATOM 8317 C CA . SER D 2 109 ? 5.192 -7.063 -77.935 1.00 24.82 ? 109 SER D CA 1 ATOM 8318 C C . SER D 2 109 ? 5.960 -6.779 -79.218 1.00 28.63 ? 109 SER D C 1 ATOM 8319 O O . SER D 2 109 ? 6.835 -7.547 -79.619 1.00 27.32 ? 109 SER D O 1 ATOM 8320 C CB . SER D 2 109 ? 3.734 -7.382 -78.263 1.00 25.96 ? 109 SER D CB 1 ATOM 8321 O OG . SER D 2 109 ? 3.619 -8.551 -79.044 1.00 22.70 ? 109 SER D OG 1 ATOM 8322 N N . MET D 2 110 ? 5.622 -5.663 -79.851 1.00 28.70 ? 110 MET D N 1 ATOM 8323 C CA . MET D 2 110 ? 6.202 -5.292 -81.133 1.00 27.75 ? 110 MET D CA 1 ATOM 8324 C C . MET D 2 110 ? 7.709 -5.057 -81.005 1.00 30.80 ? 110 MET D C 1 ATOM 8325 O O . MET D 2 110 ? 8.469 -5.457 -81.873 1.00 31.72 ? 110 MET D O 1 ATOM 8326 C CB . MET D 2 110 ? 5.498 -4.042 -81.690 1.00 23.50 ? 110 MET D CB 1 ATOM 8327 C CG . MET D 2 110 ? 5.935 -3.634 -83.089 1.00 33.40 ? 110 MET D CG 1 ATOM 8328 S SD . MET D 2 110 ? 7.159 -2.302 -83.011 1.00 54.50 ? 110 MET D SD 1 ATOM 8329 C CE . MET D 2 110 ? 7.443 -1.975 -84.757 1.00 44.73 ? 110 MET D CE 1 ATOM 8330 N N . ASN D 2 111 ? 8.138 -4.425 -79.917 1.00 28.75 ? 111 ASN D N 1 ATOM 8331 C CA . ASN D 2 111 ? 9.551 -4.107 -79.733 1.00 29.06 ? 111 ASN D CA 1 ATOM 8332 C C . ASN D 2 111 ? 10.400 -5.313 -79.310 1.00 31.88 ? 111 ASN D C 1 ATOM 8333 O O . ASN D 2 111 ? 11.590 -5.388 -79.624 1.00 30.84 ? 111 ASN D O 1 ATOM 8334 C CB . ASN D 2 111 ? 9.707 -2.970 -78.718 1.00 23.54 ? 111 ASN D CB 1 ATOM 8335 C CG . ASN D 2 111 ? 9.491 -1.599 -79.342 1.00 28.34 ? 111 ASN D CG 1 ATOM 8336 O OD1 . ASN D 2 111 ? 10.304 -1.139 -80.140 1.00 33.10 ? 111 ASN D OD1 1 ATOM 8337 N ND2 . ASN D 2 111 ? 8.395 -0.941 -78.980 1.00 24.31 ? 111 ASN D ND2 1 ATOM 8338 N N . LEU D 2 112 ? 9.799 -6.252 -78.592 1.00 27.78 ? 112 LEU D N 1 ATOM 8339 C CA . LEU D 2 112 ? 10.489 -7.500 -78.287 1.00 30.24 ? 112 LEU D CA 1 ATOM 8340 C C . LEU D 2 112 ? 10.602 -8.339 -79.552 1.00 30.16 ? 112 LEU D C 1 ATOM 8341 O O . LEU D 2 112 ? 11.629 -8.961 -79.807 1.00 26.35 ? 112 LEU D O 1 ATOM 8342 C CB . LEU D 2 112 ? 9.760 -8.283 -77.190 1.00 26.87 ? 112 LEU D CB 1 ATOM 8343 C CG . LEU D 2 112 ? 10.370 -9.642 -76.829 1.00 30.96 ? 112 LEU D CG 1 ATOM 8344 C CD1 . LEU D 2 112 ? 11.845 -9.503 -76.474 1.00 27.72 ? 112 LEU D CD1 1 ATOM 8345 C CD2 . LEU D 2 112 ? 9.607 -10.292 -75.686 1.00 28.34 ? 112 LEU D CD2 1 ATOM 8346 N N . LYS D 2 113 ? 9.531 -8.350 -80.337 1.00 32.59 ? 113 LYS D N 1 ATOM 8347 C CA . LYS D 2 113 ? 9.510 -9.082 -81.590 1.00 36.79 ? 113 LYS D CA 1 ATOM 8348 C C . LYS D 2 113 ? 10.591 -8.547 -82.529 1.00 38.41 ? 113 LYS D C 1 ATOM 8349 O O . LYS D 2 113 ? 11.327 -9.321 -83.145 1.00 34.37 ? 113 LYS D O 1 ATOM 8350 C CB . LYS D 2 113 ? 8.123 -8.995 -82.237 1.00 34.86 ? 113 LYS D CB 1 ATOM 8351 C CG . LYS D 2 113 ? 8.097 -9.291 -83.732 1.00 44.00 ? 113 LYS D CG 1 ATOM 8352 C CD . LYS D 2 113 ? 6.666 -9.485 -84.218 1.00 51.24 ? 113 LYS D CD 1 ATOM 8353 C CE . LYS D 2 113 ? 6.457 -8.919 -85.617 1.00 58.68 ? 113 LYS D CE 1 ATOM 8354 N NZ . LYS D 2 113 ? 6.511 -7.431 -85.630 1.00 58.07 ? 113 LYS D NZ 1 ATOM 8355 N N . GLU D 2 114 ? 10.698 -7.223 -82.613 1.00 32.52 ? 114 GLU D N 1 ATOM 8356 C CA . GLU D 2 114 ? 11.703 -6.591 -83.464 1.00 32.56 ? 114 GLU D CA 1 ATOM 8357 C C . GLU D 2 114 ? 13.122 -6.866 -82.969 1.00 33.06 ? 114 GLU D C 1 ATOM 8358 O O . GLU D 2 114 ? 14.052 -6.970 -83.764 1.00 32.61 ? 114 GLU D O 1 ATOM 8359 C CB . GLU D 2 114 ? 11.459 -5.087 -83.554 1.00 31.73 ? 114 GLU D CB 1 ATOM 8360 C CG . GLU D 2 114 ? 10.294 -4.708 -84.464 1.00 41.40 ? 114 GLU D CG 1 ATOM 8361 C CD . GLU D 2 114 ? 10.667 -4.730 -85.941 1.00 51.23 ? 114 GLU D CD 1 ATOM 8362 O OE1 . GLU D 2 114 ? 11.795 -4.304 -86.278 1.00 53.81 ? 114 GLU D OE1 1 ATOM 8363 O OE2 . GLU D 2 114 ? 9.829 -5.171 -86.761 1.00 49.99 ? 114 GLU D OE2 1 ATOM 8364 N N . SER D 2 115 ? 13.281 -6.979 -81.654 1.00 32.90 ? 115 SER D N 1 ATOM 8365 C CA . SER D 2 115 ? 14.556 -7.368 -81.063 1.00 34.55 ? 115 SER D CA 1 ATOM 8366 C C . SER D 2 115 ? 14.905 -8.811 -81.418 1.00 37.61 ? 115 SER D C 1 ATOM 8367 O O . SER D 2 115 ? 16.069 -9.128 -81.641 1.00 40.09 ? 115 SER D O 1 ATOM 8368 C CB . SER D 2 115 ? 14.525 -7.201 -79.543 1.00 33.62 ? 115 SER D CB 1 ATOM 8369 O OG . SER D 2 115 ? 14.402 -5.839 -79.183 1.00 33.70 ? 115 SER D OG 1 ATOM 8370 N N . LEU D 2 116 ? 13.898 -9.680 -81.460 1.00 22.66 ? 116 LEU D N 1 ATOM 8371 C CA . LEU D 2 116 ? 14.112 -11.063 -81.854 1.00 21.48 ? 116 LEU D CA 1 ATOM 8372 C C . LEU D 2 116 ? 14.561 -11.127 -83.303 1.00 28.25 ? 116 LEU D C 1 ATOM 8373 O O . LEU D 2 116 ? 15.458 -11.893 -83.645 1.00 32.74 ? 116 LEU D O 1 ATOM 8374 C CB . LEU D 2 116 ? 12.845 -11.895 -81.651 1.00 23.56 ? 116 LEU D CB 1 ATOM 8375 C CG . LEU D 2 116 ? 12.508 -12.254 -80.202 1.00 30.55 ? 116 LEU D CG 1 ATOM 8376 C CD1 . LEU D 2 116 ? 11.161 -12.946 -80.109 1.00 27.55 ? 116 LEU D CD1 1 ATOM 8377 C CD2 . LEU D 2 116 ? 13.601 -13.125 -79.595 1.00 27.65 ? 116 LEU D CD2 1 ATOM 8378 N N . TYR D 2 117 ? 13.931 -10.317 -84.149 1.00 34.85 ? 117 TYR D N 1 ATOM 8379 C CA . TYR D 2 117 ? 14.342 -10.180 -85.541 1.00 36.22 ? 117 TYR D CA 1 ATOM 8380 C C . TYR D 2 117 ? 15.789 -9.714 -85.639 1.00 40.38 ? 117 TYR D C 1 ATOM 8381 O O . TYR D 2 117 ? 16.509 -10.107 -86.554 1.00 40.74 ? 117 TYR D O 1 ATOM 8382 C CB . TYR D 2 117 ? 13.435 -9.193 -86.286 1.00 37.07 ? 117 TYR D CB 1 ATOM 8383 C CG . TYR D 2 117 ? 12.043 -9.712 -86.550 1.00 43.39 ? 117 TYR D CG 1 ATOM 8384 C CD1 . TYR D 2 117 ? 11.713 -11.030 -86.274 1.00 38.97 ? 117 TYR D CD1 1 ATOM 8385 C CD2 . TYR D 2 117 ? 11.059 -8.884 -87.084 1.00 43.34 ? 117 TYR D CD2 1 ATOM 8386 C CE1 . TYR D 2 117 ? 10.445 -11.513 -86.520 1.00 46.54 ? 117 TYR D CE1 1 ATOM 8387 C CE2 . TYR D 2 117 ? 9.786 -9.360 -87.331 1.00 43.05 ? 117 TYR D CE2 1 ATOM 8388 C CZ . TYR D 2 117 ? 9.485 -10.680 -87.050 1.00 47.59 ? 117 TYR D CZ 1 ATOM 8389 O OH . TYR D 2 117 ? 8.223 -11.180 -87.289 1.00 52.03 ? 117 TYR D OH 1 ATOM 8390 N N . GLU D 2 118 ? 16.198 -8.861 -84.701 1.00 36.46 ? 118 GLU D N 1 ATOM 8391 C CA . GLU D 2 118 ? 17.561 -8.349 -84.661 1.00 38.87 ? 118 GLU D CA 1 ATOM 8392 C C . GLU D 2 118 ? 18.559 -9.460 -84.346 1.00 41.19 ? 118 GLU D C 1 ATOM 8393 O O . GLU D 2 118 ? 19.611 -9.546 -84.978 1.00 44.30 ? 118 GLU D O 1 ATOM 8394 C CB . GLU D 2 118 ? 17.688 -7.223 -83.631 1.00 34.38 ? 118 GLU D CB 1 ATOM 8395 C CG . GLU D 2 118 ? 17.283 -5.848 -84.140 1.00 33.71 ? 118 GLU D CG 1 ATOM 8396 C CD . GLU D 2 118 ? 16.855 -4.921 -83.012 1.00 37.65 ? 118 GLU D CD 1 ATOM 8397 O OE1 . GLU D 2 118 ? 17.223 -5.186 -81.848 1.00 32.07 ? 118 GLU D OE1 1 ATOM 8398 O OE2 . GLU D 2 118 ? 16.139 -3.935 -83.288 1.00 41.13 ? 118 GLU D OE2 1 ATOM 8399 N N . LEU D 2 119 ? 18.234 -10.294 -83.361 1.00 38.30 ? 119 LEU D N 1 ATOM 8400 C CA . LEU D 2 119 ? 19.078 -11.433 -83.011 1.00 44.79 ? 119 LEU D CA 1 ATOM 8401 C C . LEU D 2 119 ? 19.256 -12.357 -84.213 1.00 46.99 ? 119 LEU D C 1 ATOM 8402 O O . LEU D 2 119 ? 20.378 -12.697 -84.586 1.00 49.26 ? 119 LEU D O 1 ATOM 8403 C CB . LEU D 2 119 ? 18.484 -12.212 -81.835 1.00 44.99 ? 119 LEU D CB 1 ATOM 8404 C CG . LEU D 2 119 ? 19.229 -13.475 -81.383 1.00 41.33 ? 119 LEU D CG 1 ATOM 8405 C CD1 . LEU D 2 119 ? 20.418 -13.123 -80.519 1.00 48.12 ? 119 LEU D CD1 1 ATOM 8406 C CD2 . LEU D 2 119 ? 18.305 -14.410 -80.640 1.00 45.57 ? 119 LEU D CD2 1 ATOM 8407 N N . ALA D 2 120 ? 18.140 -12.739 -84.826 1.00 36.95 ? 120 ALA D N 1 ATOM 8408 C CA . ALA D 2 120 ? 18.153 -13.659 -85.954 1.00 37.61 ? 120 ALA D CA 1 ATOM 8409 C C . ALA D 2 120 ? 18.874 -13.062 -87.162 1.00 43.12 ? 120 ALA D C 1 ATOM 8410 O O . ALA D 2 120 ? 19.411 -13.786 -88.001 1.00 42.70 ? 120 ALA D O 1 ATOM 8411 C CB . ALA D 2 120 ? 16.738 -14.049 -86.320 1.00 35.59 ? 120 ALA D CB 1 ATOM 8412 N N . ASN D 2 121 ? 18.894 -11.738 -87.245 1.00 43.50 ? 121 ASN D N 1 ATOM 8413 C CA . ASN D 2 121 ? 19.600 -11.065 -88.328 1.00 45.92 ? 121 ASN D CA 1 ATOM 8414 C C . ASN D 2 121 ? 21.109 -11.111 -88.122 1.00 46.57 ? 121 ASN D C 1 ATOM 8415 O O . ASN D 2 121 ? 21.879 -11.165 -89.082 1.00 45.86 ? 121 ASN D O 1 ATOM 8416 C CB . ASN D 2 121 ? 19.141 -9.616 -88.455 1.00 41.14 ? 121 ASN D CB 1 ATOM 8417 C CG . ASN D 2 121 ? 19.628 -8.966 -89.731 1.00 44.39 ? 121 ASN D CG 1 ATOM 8418 O OD1 . ASN D 2 121 ? 20.416 -8.018 -89.705 1.00 43.95 ? 121 ASN D OD1 1 ATOM 8419 N ND2 . ASN D 2 121 ? 19.167 -9.483 -90.863 1.00 45.36 ? 121 ASN D ND2 1 ATOM 8420 N N . GLN D 2 122 ? 21.529 -11.084 -86.863 1.00 48.96 ? 122 GLN D N 1 ATOM 8421 C CA . GLN D 2 122 ? 22.944 -11.180 -86.548 1.00 56.08 ? 122 GLN D CA 1 ATOM 8422 C C . GLN D 2 122 ? 23.428 -12.611 -86.783 1.00 59.89 ? 122 GLN D C 1 ATOM 8423 O O . GLN D 2 122 ? 24.620 -12.850 -86.967 1.00 60.89 ? 122 GLN D O 1 ATOM 8424 C CB . GLN D 2 122 ? 23.210 -10.735 -85.109 1.00 51.84 ? 122 GLN D CB 1 ATOM 8425 C CG . GLN D 2 122 ? 22.800 -9.292 -84.837 1.00 56.63 ? 122 GLN D CG 1 ATOM 8426 C CD . GLN D 2 122 ? 23.365 -8.747 -83.539 1.00 61.04 ? 122 GLN D CD 1 ATOM 8427 O OE1 . GLN D 2 122 ? 24.209 -9.375 -82.900 1.00 69.65 ? 122 GLN D OE1 1 ATOM 8428 N NE2 . GLN D 2 122 ? 22.904 -7.566 -83.145 1.00 61.35 ? 122 GLN D NE2 1 ATOM 8429 N N . ILE D 2 123 ? 22.494 -13.557 -86.798 1.00 49.39 ? 123 ILE D N 1 ATOM 8430 C CA . ILE D 2 123 ? 22.830 -14.948 -87.055 1.00 51.54 ? 123 ILE D CA 1 ATOM 8431 C C . ILE D 2 123 ? 23.003 -15.199 -88.553 1.00 57.24 ? 123 ILE D C 1 ATOM 8432 O O . ILE D 2 123 ? 23.942 -15.875 -88.972 1.00 63.76 ? 123 ILE D O 1 ATOM 8433 C CB . ILE D 2 123 ? 21.763 -15.892 -86.475 1.00 51.34 ? 123 ILE D CB 1 ATOM 8434 C CG1 . ILE D 2 123 ? 21.891 -15.936 -84.946 1.00 49.48 ? 123 ILE D CG1 1 ATOM 8435 C CG2 . ILE D 2 123 ? 21.893 -17.287 -87.068 1.00 52.50 ? 123 ILE D CG2 1 ATOM 8436 C CD1 . ILE D 2 123 ? 20.913 -16.876 -84.257 1.00 53.95 ? 123 ILE D CD1 1 ATOM 8437 N N . THR D 2 124 ? 22.106 -14.638 -89.356 1.00 48.32 ? 124 THR D N 1 ATOM 8438 C CA . THR D 2 124 ? 22.195 -14.751 -90.809 1.00 50.99 ? 124 THR D CA 1 ATOM 8439 C C . THR D 2 124 ? 23.497 -14.166 -91.335 1.00 49.84 ? 124 THR D C 1 ATOM 8440 O O . THR D 2 124 ? 24.168 -14.770 -92.167 1.00 51.63 ? 124 THR D O 1 ATOM 8441 C CB . THR D 2 124 ? 21.022 -14.034 -91.504 1.00 46.83 ? 124 THR D CB 1 ATOM 8442 O OG1 . THR D 2 124 ? 19.783 -14.504 -90.963 1.00 51.12 ? 124 THR D OG1 1 ATOM 8443 C CG2 . THR D 2 124 ? 21.052 -14.285 -93.004 1.00 47.76 ? 124 THR D CG2 1 ATOM 8444 N N . LYS D 2 125 ? 23.838 -12.979 -90.842 1.00 66.85 ? 125 LYS D N 1 ATOM 8445 C CA . LYS D 2 125 ? 25.045 -12.270 -91.253 1.00 69.89 ? 125 LYS D CA 1 ATOM 8446 C C . LYS D 2 125 ? 26.308 -13.085 -90.992 1.00 73.41 ? 125 LYS D C 1 ATOM 8447 O O . LYS D 2 125 ? 27.238 -13.093 -91.799 1.00 75.10 ? 125 LYS D O 1 ATOM 8448 C CB . LYS D 2 125 ? 25.130 -10.918 -90.532 1.00 66.62 ? 125 LYS D CB 1 ATOM 8449 C CG . LYS D 2 125 ? 26.523 -10.537 -90.032 1.00 71.15 ? 125 LYS D CG 1 ATOM 8450 C CD . LYS D 2 125 ? 27.262 -9.663 -91.039 1.00 83.39 ? 125 LYS D CD 1 ATOM 8451 C CE . LYS D 2 125 ? 28.523 -9.050 -90.437 1.00 78.30 ? 125 LYS D CE 1 ATOM 8452 N NZ . LYS D 2 125 ? 29.374 -10.062 -89.751 1.00 79.26 ? 125 LYS D NZ 1 ATOM 8453 N N . ARG D 2 126 ? 26.330 -13.783 -89.866 1.00 76.46 ? 126 ARG D N 1 ATOM 8454 C CA . ARG D 2 126 ? 27.525 -14.498 -89.460 1.00 78.99 ? 126 ARG D CA 1 ATOM 8455 C C . ARG D 2 126 ? 27.749 -15.760 -90.302 1.00 80.40 ? 126 ARG D C 1 ATOM 8456 O O . ARG D 2 126 ? 28.884 -16.074 -90.659 1.00 82.01 ? 126 ARG D O 1 ATOM 8457 C CB . ARG D 2 126 ? 27.443 -14.817 -87.969 1.00 78.14 ? 126 ARG D CB 1 ATOM 8458 C CG . ARG D 2 126 ? 27.635 -16.258 -87.627 1.00 83.48 ? 126 ARG D CG 1 ATOM 8459 C CD . ARG D 2 126 ? 27.727 -16.451 -86.134 1.00 85.81 ? 126 ARG D CD 1 ATOM 8460 N NE . ARG D 2 126 ? 28.900 -15.840 -85.525 1.00 82.12 ? 126 ARG D NE 1 ATOM 8461 C CZ . ARG D 2 126 ? 29.177 -15.939 -84.231 1.00 86.19 ? 126 ARG D CZ 1 ATOM 8462 N NH1 . ARG D 2 126 ? 28.369 -16.630 -83.438 1.00 87.42 ? 126 ARG D NH1 1 ATOM 8463 N NH2 . ARG D 2 126 ? 30.264 -15.368 -83.736 1.00 87.48 ? 126 ARG D NH2 1 ATOM 8464 N N . GLY D 2 127 ? 26.676 -16.463 -90.650 1.00 72.23 ? 127 GLY D N 1 ATOM 8465 C CA . GLY D 2 127 ? 26.787 -17.594 -91.552 1.00 69.02 ? 127 GLY D CA 1 ATOM 8466 C C . GLY D 2 127 ? 26.548 -17.115 -92.965 1.00 74.32 ? 127 GLY D C 1 ATOM 8467 O O . GLY D 2 127 ? 25.856 -17.762 -93.748 1.00 80.57 ? 127 GLY D O 1 ATOM 8468 N N . GLY D 2 128 ? 27.128 -15.968 -93.292 1.00 62.02 ? 128 GLY D N 1 ATOM 8469 C CA . GLY D 2 128 ? 26.763 -15.266 -94.503 1.00 66.60 ? 128 GLY D CA 1 ATOM 8470 C C . GLY D 2 128 ? 27.543 -15.637 -95.742 1.00 67.85 ? 128 GLY D C 1 ATOM 8471 O O . GLY D 2 128 ? 28.759 -15.463 -95.793 1.00 70.92 ? 128 GLY D O 1 ATOM 8472 N N . GLY D 2 129 ? 26.836 -16.124 -96.756 1.00 65.03 ? 129 GLY D N 1 ATOM 8473 C CA . GLY D 2 129 ? 25.394 -16.272 -96.690 1.00 59.01 ? 129 GLY D CA 1 ATOM 8474 C C . GLY D 2 129 ? 24.981 -17.728 -96.745 1.00 65.19 ? 129 GLY D C 1 ATOM 8475 O O . GLY D 2 129 ? 24.034 -18.096 -97.442 1.00 61.22 ? 129 GLY D O 1 ATOM 8476 N N . ILE D 2 130 ? 25.709 -18.556 -96.004 1.00 66.29 ? 130 ILE D N 1 ATOM 8477 C CA . ILE D 2 130 ? 25.436 -19.988 -95.927 1.00 68.38 ? 130 ILE D CA 1 ATOM 8478 C C . ILE D 2 130 ? 24.090 -20.213 -95.244 1.00 72.74 ? 130 ILE D C 1 ATOM 8479 O O . ILE D 2 130 ? 23.359 -21.155 -95.572 1.00 67.33 ? 130 ILE D O 1 ATOM 8480 C CB . ILE D 2 130 ? 26.554 -20.732 -95.152 1.00 67.46 ? 130 ILE D CB 1 ATOM 8481 C CG1 . ILE D 2 130 ? 27.907 -20.622 -95.871 1.00 69.51 ? 130 ILE D CG1 1 ATOM 8482 C CG2 . ILE D 2 130 ? 26.199 -22.189 -94.958 1.00 75.06 ? 130 ILE D CG2 1 ATOM 8483 C CD1 . ILE D 2 130 ? 27.831 -20.399 -97.380 1.00 72.32 ? 130 ILE D CD1 1 ATOM 8484 N N . ALA D 2 131 ? 23.780 -19.313 -94.309 1.00 97.19 ? 131 ALA D N 1 ATOM 8485 C CA . ALA D 2 131 ? 22.571 -19.345 -93.482 1.00 87.19 ? 131 ALA D CA 1 ATOM 8486 C C . ALA D 2 131 ? 21.295 -19.681 -94.253 1.00 89.77 ? 131 ALA D C 1 ATOM 8487 O O . ALA D 2 131 ? 20.720 -20.752 -94.054 1.00 96.15 ? 131 ALA D O 1 ATOM 8488 C CB . ALA D 2 131 ? 22.408 -18.010 -92.771 1.00 88.70 ? 131 ALA D CB 1 ATOM 8489 N N . GLN D 2 132 ? 20.866 -18.767 -95.123 1.00 80.80 ? 132 GLN D N 1 ATOM 8490 C CA . GLN D 2 132 ? 19.631 -18.916 -95.906 1.00 82.88 ? 132 GLN D CA 1 ATOM 8491 C C . GLN D 2 132 ? 18.391 -18.945 -95.010 1.00 85.24 ? 132 GLN D C 1 ATOM 8492 O O . GLN D 2 132 ? 18.105 -19.938 -94.337 1.00 83.39 ? 132 GLN D O 1 ATOM 8493 C CB . GLN D 2 132 ? 19.683 -20.175 -96.781 1.00 83.41 ? 132 GLN D CB 1 ATOM 8494 C CG . GLN D 2 132 ? 18.340 -20.613 -97.364 1.00 89.66 ? 132 GLN D CG 1 ATOM 8495 C CD . GLN D 2 132 ? 17.847 -19.723 -98.494 1.00 94.65 ? 132 GLN D CD 1 ATOM 8496 O OE1 . GLN D 2 132 ? 18.461 -18.703 -98.817 1.00 97.89 ? 132 GLN D OE1 1 ATOM 8497 N NE2 . GLN D 2 132 ? 16.733 -20.115 -99.108 1.00 90.40 ? 132 GLN D NE2 1 ATOM 8498 N N . GLU D 2 133 ? 17.648 -17.844 -95.021 1.00 60.07 ? 133 GLU D N 1 ATOM 8499 C CA . GLU D 2 133 ? 16.509 -17.686 -94.132 1.00 60.10 ? 133 GLU D CA 1 ATOM 8500 C C . GLU D 2 133 ? 15.253 -18.379 -94.652 1.00 58.42 ? 133 GLU D C 1 ATOM 8501 O O . GLU D 2 133 ? 14.891 -18.245 -95.819 1.00 57.45 ? 133 GLU D O 1 ATOM 8502 C CB . GLU D 2 133 ? 16.217 -16.197 -93.905 1.00 62.77 ? 133 GLU D CB 1 ATOM 8503 C CG . GLU D 2 133 ? 17.455 -15.324 -93.732 1.00 57.21 ? 133 GLU D CG 1 ATOM 8504 C CD . GLU D 2 133 ? 17.136 -13.976 -93.110 1.00 62.04 ? 133 GLU D CD 1 ATOM 8505 O OE1 . GLU D 2 133 ? 16.033 -13.823 -92.544 1.00 56.56 ? 133 GLU D OE1 1 ATOM 8506 O OE2 . GLU D 2 133 ? 17.986 -13.064 -93.187 1.00 66.29 ? 133 GLU D OE2 1 ATOM 8507 N N . ALA D 2 134 ? 14.590 -19.117 -93.771 1.00 67.44 ? 134 ALA D N 1 ATOM 8508 C CA . ALA D 2 134 ? 13.284 -19.689 -94.078 1.00 65.68 ? 134 ALA D CA 1 ATOM 8509 C C . ALA D 2 134 ? 12.231 -19.016 -93.210 1.00 68.82 ? 134 ALA D C 1 ATOM 8510 O O . ALA D 2 134 ? 11.564 -19.667 -92.409 1.00 67.73 ? 134 ALA D O 1 ATOM 8511 C CB . ALA D 2 134 ? 13.284 -21.184 -93.851 1.00 64.74 ? 134 ALA D CB 1 ATOM 8512 N N . GLY D 2 135 ? 12.090 -17.707 -93.375 1.00 72.96 ? 135 GLY D N 1 ATOM 8513 C CA . GLY D 2 135 ? 11.282 -16.915 -92.468 1.00 72.91 ? 135 GLY D CA 1 ATOM 8514 C C . GLY D 2 135 ? 12.128 -16.516 -91.274 1.00 69.69 ? 135 GLY D C 1 ATOM 8515 O O . GLY D 2 135 ? 13.202 -17.079 -91.057 1.00 72.62 ? 135 GLY D O 1 ATOM 8516 N N . PRO D 2 136 ? 11.652 -15.541 -90.488 1.00 46.86 ? 136 PRO D N 1 ATOM 8517 C CA . PRO D 2 136 ? 12.406 -15.045 -89.330 1.00 45.85 ? 136 PRO D CA 1 ATOM 8518 C C . PRO D 2 136 ? 12.628 -16.116 -88.260 1.00 40.16 ? 136 PRO D C 1 ATOM 8519 O O . PRO D 2 136 ? 11.683 -16.790 -87.855 1.00 37.15 ? 136 PRO D O 1 ATOM 8520 C CB . PRO D 2 136 ? 11.521 -13.915 -88.795 1.00 45.46 ? 136 PRO D CB 1 ATOM 8521 C CG . PRO D 2 136 ? 10.143 -14.260 -89.264 1.00 43.51 ? 136 PRO D CG 1 ATOM 8522 C CD . PRO D 2 136 ? 10.332 -14.898 -90.609 1.00 46.78 ? 136 PRO D CD 1 ATOM 8523 N N . GLY D 2 137 ? 13.874 -16.267 -87.820 1.00 47.25 ? 137 GLY D N 1 ATOM 8524 C CA . GLY D 2 137 ? 14.212 -17.239 -86.796 1.00 47.59 ? 137 GLY D CA 1 ATOM 8525 C C . GLY D 2 137 ? 14.276 -18.669 -87.295 1.00 46.46 ? 137 GLY D C 1 ATOM 8526 O O . GLY D 2 137 ? 14.175 -19.609 -86.509 1.00 49.13 ? 137 GLY D O 1 ATOM 8527 N N . CYS D 2 138 ? 14.436 -18.830 -88.605 1.00 57.25 ? 138 CYS D N 1 ATOM 8528 C CA . CYS D 2 138 ? 14.572 -20.147 -89.222 1.00 57.86 ? 138 CYS D CA 1 ATOM 8529 C C . CYS D 2 138 ? 15.576 -20.094 -90.364 1.00 61.84 ? 138 CYS D C 1 ATOM 8530 O O . CYS D 2 138 ? 15.595 -19.141 -91.148 1.00 59.55 ? 138 CYS D O 1 ATOM 8531 C CB . CYS D 2 138 ? 13.227 -20.660 -89.740 1.00 57.34 ? 138 CYS D CB 1 ATOM 8532 S SG . CYS D 2 138 ? 12.094 -21.269 -88.471 1.00 59.56 ? 138 CYS D SG 1 ATOM 8533 N N . TRP D 2 139 ? 16.410 -21.122 -90.455 1.00 52.79 ? 139 TRP D N 1 ATOM 8534 C CA . TRP D 2 139 ? 17.421 -21.178 -91.497 1.00 55.24 ? 139 TRP D CA 1 ATOM 8535 C C . TRP D 2 139 ? 17.536 -22.562 -92.112 1.00 57.49 ? 139 TRP D C 1 ATOM 8536 O O . TRP D 2 139 ? 17.573 -23.572 -91.406 1.00 53.30 ? 139 TRP D O 1 ATOM 8537 C CB . TRP D 2 139 ? 18.785 -20.760 -90.948 1.00 49.96 ? 139 TRP D CB 1 ATOM 8538 C CG . TRP D 2 139 ? 18.839 -19.365 -90.435 1.00 50.80 ? 139 TRP D CG 1 ATOM 8539 C CD1 . TRP D 2 139 ? 19.272 -18.260 -91.109 1.00 53.72 ? 139 TRP D CD1 1 ATOM 8540 C CD2 . TRP D 2 139 ? 18.466 -18.917 -89.128 1.00 46.98 ? 139 TRP D CD2 1 ATOM 8541 N NE1 . TRP D 2 139 ? 19.187 -17.151 -90.305 1.00 48.56 ? 139 TRP D NE1 1 ATOM 8542 C CE2 . TRP D 2 139 ? 18.695 -17.527 -89.083 1.00 48.29 ? 139 TRP D CE2 1 ATOM 8543 C CE3 . TRP D 2 139 ? 17.959 -19.555 -87.993 1.00 48.82 ? 139 TRP D CE3 1 ATOM 8544 C CZ2 . TRP D 2 139 ? 18.433 -16.765 -87.946 1.00 42.96 ? 139 TRP D CZ2 1 ATOM 8545 C CZ3 . TRP D 2 139 ? 17.700 -18.796 -86.865 1.00 47.31 ? 139 TRP D CZ3 1 ATOM 8546 C CH2 . TRP D 2 139 ? 17.939 -17.416 -86.850 1.00 45.25 ? 139 TRP D CH2 1 ATOM 8547 N N . TYR D 2 140 ? 17.595 -22.599 -93.437 1.00 58.92 ? 140 TYR D N 1 ATOM 8548 C CA . TYR D 2 140 ? 18.012 -23.806 -94.124 1.00 58.22 ? 140 TYR D CA 1 ATOM 8549 C C . TYR D 2 140 ? 19.527 -23.807 -94.296 1.00 62.42 ? 140 TYR D C 1 ATOM 8550 O O . TYR D 2 140 ? 20.038 -23.298 -95.282 1.00 67.17 ? 140 TYR D O 1 ATOM 8551 C CB . TYR D 2 140 ? 17.317 -23.940 -95.484 1.00 55.96 ? 140 TYR D CB 1 ATOM 8552 C CG . TYR D 2 140 ? 15.897 -24.431 -95.367 1.00 52.44 ? 140 TYR D CG 1 ATOM 8553 C CD1 . TYR D 2 140 ? 15.620 -25.649 -94.764 1.00 52.80 ? 140 TYR D CD1 1 ATOM 8554 C CD2 . TYR D 2 140 ? 14.836 -23.674 -95.840 1.00 46.78 ? 140 TYR D CD2 1 ATOM 8555 C CE1 . TYR D 2 140 ? 14.324 -26.105 -94.638 1.00 54.19 ? 140 TYR D CE1 1 ATOM 8556 C CE2 . TYR D 2 140 ? 13.534 -24.120 -95.718 1.00 55.35 ? 140 TYR D CE2 1 ATOM 8557 C CZ . TYR D 2 140 ? 13.283 -25.337 -95.115 1.00 57.08 ? 140 TYR D CZ 1 ATOM 8558 O OH . TYR D 2 140 ? 11.987 -25.789 -94.988 1.00 50.30 ? 140 TYR D OH 1 ATOM 8559 N N . VAL D 2 141 ? 20.250 -24.355 -93.328 1.00 67.66 ? 141 VAL D N 1 ATOM 8560 C CA . VAL D 2 141 ? 21.639 -24.719 -93.565 1.00 76.36 ? 141 VAL D CA 1 ATOM 8561 C C . VAL D 2 141 ? 21.662 -26.121 -94.162 1.00 79.32 ? 141 VAL D C 1 ATOM 8562 O O . VAL D 2 141 ? 20.814 -26.950 -93.852 1.00 79.85 ? 141 VAL D O 1 ATOM 8563 C CB . VAL D 2 141 ? 22.485 -24.669 -92.275 1.00 77.31 ? 141 VAL D CB 1 ATOM 8564 C CG1 . VAL D 2 141 ? 22.068 -25.758 -91.284 1.00 81.13 ? 141 VAL D CG1 1 ATOM 8565 C CG2 . VAL D 2 141 ? 23.956 -24.772 -92.584 1.00 72.81 ? 141 VAL D CG2 1 ATOM 8566 N N . ASP D 2 142 ? 22.630 -26.399 -95.030 1.00 97.51 ? 142 ASP D N 1 ATOM 8567 C CA . ASP D 2 142 ? 22.641 -27.682 -95.752 1.00 106.07 ? 142 ASP D CA 1 ATOM 8568 C C . ASP D 2 142 ? 23.961 -28.408 -95.554 1.00 105.48 ? 142 ASP D C 1 ATOM 8569 O O . ASP D 2 142 ? 25.004 -27.824 -95.310 1.00 102.50 ? 142 ASP D O 1 ATOM 8570 C CB . ASP D 2 142 ? 22.366 -27.451 -97.253 1.00 108.85 ? 142 ASP D CB 1 ATOM 8571 C CG . ASP D 2 142 ? 22.357 -28.724 -98.118 1.00 113.43 ? 142 ASP D CG 1 ATOM 8572 O OD1 . ASP D 2 142 ? 22.668 -29.865 -97.725 1.00 112.60 ? 142 ASP D OD1 1 ATOM 8573 O OD2 . ASP D 2 142 ? 21.937 -28.533 -99.265 1.00 116.26 ? 142 ASP D OD2 1 ATOM 8574 N N . SER D 2 143 ? 23.903 -29.698 -95.797 1.00 112.78 ? 143 SER D N 1 ATOM 8575 C CA . SER D 2 143 ? 24.907 -30.640 -95.337 1.00 115.70 ? 143 SER D CA 1 ATOM 8576 C C . SER D 2 143 ? 26.319 -30.615 -95.916 1.00 118.17 ? 143 SER D C 1 ATOM 8577 O O . SER D 2 143 ? 26.843 -31.696 -96.219 1.00 123.29 ? 143 SER D O 1 ATOM 8578 C CB . SER D 2 143 ? 24.385 -32.044 -95.612 1.00 115.41 ? 143 SER D CB 1 ATOM 8579 O OG . SER D 2 143 ? 24.103 -32.237 -97.006 1.00 107.82 ? 143 SER D OG 1 ATOM 8580 N N . GLU D 2 144 ? 26.926 -29.453 -96.156 1.00 123.87 ? 144 GLU D N 1 ATOM 8581 C CA . GLU D 2 144 ? 28.293 -29.496 -96.692 1.00 122.49 ? 144 GLU D CA 1 ATOM 8582 C C . GLU D 2 144 ? 29.241 -28.353 -96.306 1.00 122.90 ? 144 GLU D C 1 ATOM 8583 O O . GLU D 2 144 ? 30.057 -28.554 -95.421 1.00 120.38 ? 144 GLU D O 1 ATOM 8584 C CB . GLU D 2 144 ? 28.253 -29.622 -98.212 1.00 123.13 ? 144 GLU D CB 1 ATOM 8585 C CG . GLU D 2 144 ? 29.069 -30.832 -98.694 1.00 124.89 ? 144 GLU D CG 1 ATOM 8586 C CD . GLU D 2 144 ? 28.337 -31.632 -99.775 1.00 127.90 ? 144 GLU D CD 1 ATOM 8587 O OE1 . GLU D 2 144 ? 28.507 -31.317 -100.980 1.00 131.54 ? 144 GLU D OE1 1 ATOM 8588 O OE2 . GLU D 2 144 ? 27.557 -32.547 -99.395 1.00 120.54 ? 144 GLU D OE2 1 ATOM 8589 N N . ASN D 2 145 ? 29.161 -27.201 -96.983 1.00 113.47 ? 145 ASN D N 1 ATOM 8590 C CA . ASN D 2 145 ? 30.002 -26.009 -96.702 1.00 116.48 ? 145 ASN D CA 1 ATOM 8591 C C . ASN D 2 145 ? 30.362 -25.792 -95.228 1.00 112.52 ? 145 ASN D C 1 ATOM 8592 O O . ASN D 2 145 ? 31.432 -25.285 -94.875 1.00 110.02 ? 145 ASN D O 1 ATOM 8593 C CB . ASN D 2 145 ? 29.286 -24.752 -97.214 1.00 113.07 ? 145 ASN D CB 1 ATOM 8594 C CG . ASN D 2 145 ? 30.001 -24.092 -98.383 1.00 112.43 ? 145 ASN D CG 1 ATOM 8595 O OD1 . ASN D 2 145 ? 30.967 -23.362 -98.192 1.00 109.34 ? 145 ASN D OD1 1 ATOM 8596 N ND2 . ASN D 2 145 ? 29.511 -24.321 -99.591 1.00 111.44 ? 145 ASN D ND2 1 ATOM 8597 N N . CYS D 2 146 ? 29.423 -26.222 -94.395 1.00 114.71 ? 146 CYS D N 1 ATOM 8598 C CA . CYS D 2 146 ? 29.430 -26.105 -92.943 1.00 111.57 ? 146 CYS D CA 1 ATOM 8599 C C . CYS D 2 146 ? 29.413 -27.553 -92.403 1.00 107.75 ? 146 CYS D C 1 ATOM 8600 O O . CYS D 2 146 ? 28.619 -28.374 -92.872 1.00 108.56 ? 146 CYS D O 1 ATOM 8601 C CB . CYS D 2 146 ? 28.190 -25.328 -92.497 1.00 103.18 ? 146 CYS D CB 1 ATOM 8602 S SG . CYS D 2 146 ? 28.239 -24.315 -91.038 1.00 94.74 ? 146 CYS D SG 1 ATOM 8603 N N . ASP D 2 147 ? 30.283 -27.903 -91.452 1.00 110.27 ? 147 ASP D N 1 ATOM 8604 C CA . ASP D 2 147 ? 30.277 -29.284 -90.902 1.00 108.34 ? 147 ASP D CA 1 ATOM 8605 C C . ASP D 2 147 ? 29.559 -29.449 -89.533 1.00 107.12 ? 147 ASP D C 1 ATOM 8606 O O . ASP D 2 147 ? 28.470 -30.034 -89.478 1.00 108.30 ? 147 ASP D O 1 ATOM 8607 C CB . ASP D 2 147 ? 31.712 -29.867 -90.829 1.00 104.50 ? 147 ASP D CB 1 ATOM 8608 C CG . ASP D 2 147 ? 32.792 -28.825 -90.539 1.00 109.33 ? 147 ASP D CG 1 ATOM 8609 O OD1 . ASP D 2 147 ? 32.506 -27.838 -89.818 1.00 111.96 ? 147 ASP D OD1 1 ATOM 8610 O OD2 . ASP D 2 147 ? 33.913 -28.999 -91.087 1.00 101.58 ? 147 ASP D OD2 1 ATOM 8611 N N . ALA D 2 148 ? 30.143 -28.949 -88.446 1.00 95.68 ? 148 ALA D N 1 ATOM 8612 C CA . ALA D 2 148 ? 29.497 -29.053 -87.129 1.00 90.14 ? 148 ALA D CA 1 ATOM 8613 C C . ALA D 2 148 ? 30.013 -27.952 -86.198 1.00 92.56 ? 148 ALA D C 1 ATOM 8614 O O . ALA D 2 148 ? 29.246 -27.361 -85.448 1.00 94.50 ? 148 ALA D O 1 ATOM 8615 C CB . ALA D 2 148 ? 29.720 -30.432 -86.518 1.00 86.25 ? 148 ALA D CB 1 ATOM 8616 N N . SER D 2 149 ? 31.316 -27.681 -86.251 1.00 96.60 ? 149 SER D N 1 ATOM 8617 C CA . SER D 2 149 ? 31.894 -26.556 -85.523 1.00 98.00 ? 149 SER D CA 1 ATOM 8618 C C . SER D 2 149 ? 31.535 -25.293 -86.285 1.00 101.68 ? 149 SER D C 1 ATOM 8619 O O . SER D 2 149 ? 31.725 -24.186 -85.798 1.00 98.20 ? 149 SER D O 1 ATOM 8620 C CB . SER D 2 149 ? 33.409 -26.703 -85.377 1.00 93.13 ? 149 SER D CB 1 ATOM 8621 O OG . SER D 2 149 ? 33.915 -25.814 -84.402 1.00 93.84 ? 149 SER D OG 1 ATOM 8622 N N . CYS D 2 150 ? 30.997 -25.484 -87.488 1.00 86.09 ? 150 CYS D N 1 ATOM 8623 C CA . CYS D 2 150 ? 30.544 -24.387 -88.332 1.00 83.04 ? 150 CYS D CA 1 ATOM 8624 C C . CYS D 2 150 ? 29.143 -23.973 -87.898 1.00 76.51 ? 150 CYS D C 1 ATOM 8625 O O . CYS D 2 150 ? 28.836 -22.784 -87.843 1.00 71.04 ? 150 CYS D O 1 ATOM 8626 C CB . CYS D 2 150 ? 30.562 -24.790 -89.811 1.00 84.40 ? 150 CYS D CB 1 ATOM 8627 S SG . CYS D 2 150 ? 30.080 -23.476 -90.956 1.00 92.01 ? 150 CYS D SG 1 ATOM 8628 N N . LYS D 2 151 ? 28.291 -24.956 -87.613 1.00 94.19 ? 151 LYS D N 1 ATOM 8629 C CA . LYS D 2 151 ? 27.017 -24.666 -86.964 1.00 95.28 ? 151 LYS D CA 1 ATOM 8630 C C . LYS D 2 151 ? 27.271 -23.972 -85.643 1.00 95.04 ? 151 LYS D C 1 ATOM 8631 O O . LYS D 2 151 ? 26.667 -22.944 -85.335 1.00 93.95 ? 151 LYS D O 1 ATOM 8632 C CB . LYS D 2 151 ? 26.188 -25.929 -86.713 1.00 93.68 ? 151 LYS D CB 1 ATOM 8633 C CG . LYS D 2 151 ? 25.833 -26.798 -87.916 1.00 91.53 ? 151 LYS D CG 1 ATOM 8634 C CD . LYS D 2 151 ? 25.790 -26.041 -89.212 1.00 96.80 ? 151 LYS D CD 1 ATOM 8635 C CE . LYS D 2 151 ? 25.890 -27.053 -90.327 1.00 107.99 ? 151 LYS D CE 1 ATOM 8636 N NZ . LYS D 2 151 ? 27.269 -27.642 -90.313 1.00 109.89 ? 151 LYS D NZ 1 ATOM 8637 N N . GLU D 2 152 ? 28.187 -24.551 -84.874 1.00 88.02 ? 152 GLU D N 1 ATOM 8638 C CA . GLU D 2 152 ? 28.562 -24.029 -83.574 1.00 83.95 ? 152 GLU D CA 1 ATOM 8639 C C . GLU D 2 152 ? 29.063 -22.602 -83.704 1.00 83.65 ? 152 GLU D C 1 ATOM 8640 O O . GLU D 2 152 ? 28.950 -21.801 -82.776 1.00 88.39 ? 152 GLU D O 1 ATOM 8641 C CB . GLU D 2 152 ? 29.632 -24.909 -82.938 1.00 83.10 ? 152 GLU D CB 1 ATOM 8642 C CG . GLU D 2 152 ? 29.979 -24.502 -81.529 1.00 82.85 ? 152 GLU D CG 1 ATOM 8643 C CD . GLU D 2 152 ? 28.801 -24.658 -80.598 1.00 84.97 ? 152 GLU D CD 1 ATOM 8644 O OE1 . GLU D 2 152 ? 27.973 -25.558 -80.854 1.00 84.51 ? 152 GLU D OE1 1 ATOM 8645 O OE2 . GLU D 2 152 ? 28.693 -23.877 -79.627 1.00 86.58 ? 152 GLU D OE2 1 ATOM 8646 N N . TYR D 2 153 ? 29.622 -22.294 -84.868 1.00 83.76 ? 153 TYR D N 1 ATOM 8647 C CA . TYR D 2 153 ? 30.021 -20.932 -85.173 1.00 81.54 ? 153 TYR D CA 1 ATOM 8648 C C . TYR D 2 153 ? 28.792 -20.078 -85.445 1.00 79.75 ? 153 TYR D C 1 ATOM 8649 O O . TYR D 2 153 ? 28.541 -19.103 -84.743 1.00 76.04 ? 153 TYR D O 1 ATOM 8650 C CB . TYR D 2 153 ? 30.964 -20.892 -86.374 1.00 78.42 ? 153 TYR D CB 1 ATOM 8651 C CG . TYR D 2 153 ? 31.414 -19.493 -86.715 1.00 83.29 ? 153 TYR D CG 1 ATOM 8652 C CD1 . TYR D 2 153 ? 30.947 -18.846 -87.852 1.00 82.67 ? 153 TYR D CD1 1 ATOM 8653 C CD2 . TYR D 2 153 ? 32.291 -18.808 -85.884 1.00 82.59 ? 153 TYR D CD2 1 ATOM 8654 C CE1 . TYR D 2 153 ? 31.356 -17.558 -88.160 1.00 81.43 ? 153 TYR D CE1 1 ATOM 8655 C CE2 . TYR D 2 153 ? 32.703 -17.522 -86.182 1.00 82.43 ? 153 TYR D CE2 1 ATOM 8656 C CZ . TYR D 2 153 ? 32.232 -16.902 -87.320 1.00 80.72 ? 153 TYR D CZ 1 ATOM 8657 O OH . TYR D 2 153 ? 32.640 -15.623 -87.618 1.00 86.43 ? 153 TYR D OH 1 ATOM 8658 N N . ILE D 2 154 ? 28.022 -20.464 -86.460 1.00 78.40 ? 154 ILE D N 1 ATOM 8659 C CA . ILE D 2 154 ? 26.870 -19.680 -86.890 1.00 75.87 ? 154 ILE D CA 1 ATOM 8660 C C . ILE D 2 154 ? 25.784 -19.581 -85.814 1.00 75.72 ? 154 ILE D C 1 ATOM 8661 O O . ILE D 2 154 ? 25.308 -18.491 -85.508 1.00 68.53 ? 154 ILE D O 1 ATOM 8662 C CB . ILE D 2 154 ? 26.227 -20.248 -88.169 1.00 74.86 ? 154 ILE D CB 1 ATOM 8663 C CG1 . ILE D 2 154 ? 27.259 -20.375 -89.287 1.00 74.15 ? 154 ILE D CG1 1 ATOM 8664 C CG2 . ILE D 2 154 ? 25.064 -19.368 -88.614 1.00 71.27 ? 154 ILE D CG2 1 ATOM 8665 C CD1 . ILE D 2 154 ? 26.713 -21.051 -90.521 1.00 70.77 ? 154 ILE D CD1 1 ATOM 8666 N N . PHE D 2 155 ? 25.399 -20.708 -85.227 1.00 71.77 ? 155 PHE D N 1 ATOM 8667 C CA . PHE D 2 155 ? 24.195 -20.737 -84.407 1.00 67.68 ? 155 PHE D CA 1 ATOM 8668 C C . PHE D 2 155 ? 24.436 -20.750 -82.909 1.00 75.54 ? 155 PHE D C 1 ATOM 8669 O O . PHE D 2 155 ? 23.484 -20.769 -82.130 1.00 72.77 ? 155 PHE D O 1 ATOM 8670 C CB . PHE D 2 155 ? 23.358 -21.947 -84.780 1.00 71.31 ? 155 PHE D CB 1 ATOM 8671 C CG . PHE D 2 155 ? 22.841 -21.899 -86.172 1.00 72.13 ? 155 PHE D CG 1 ATOM 8672 C CD1 . PHE D 2 155 ? 21.600 -21.344 -86.430 1.00 68.34 ? 155 PHE D CD1 1 ATOM 8673 C CD2 . PHE D 2 155 ? 23.585 -22.401 -87.228 1.00 71.44 ? 155 PHE D CD2 1 ATOM 8674 C CE1 . PHE D 2 155 ? 21.105 -21.292 -87.706 1.00 66.00 ? 155 PHE D CE1 1 ATOM 8675 C CE2 . PHE D 2 155 ? 23.091 -22.349 -88.514 1.00 71.69 ? 155 PHE D CE2 1 ATOM 8676 C CZ . PHE D 2 155 ? 21.849 -21.793 -88.751 1.00 69.34 ? 155 PHE D CZ 1 ATOM 8677 N N . ASN D 2 156 ? 25.697 -20.717 -82.520 1.00 79.13 ? 156 ASN D N 1 ATOM 8678 C CA . ASN D 2 156 ? 26.110 -20.958 -81.160 1.00 76.28 ? 156 ASN D CA 1 ATOM 8679 C C . ASN D 2 156 ? 25.455 -22.176 -80.521 1.00 78.40 ? 156 ASN D C 1 ATOM 8680 O O . ASN D 2 156 ? 24.808 -21.960 -79.508 1.00 77.04 ? 156 ASN D O 1 ATOM 8681 C CB . ASN D 2 156 ? 25.770 -19.817 -80.214 1.00 77.02 ? 156 ASN D CB 1 ATOM 8682 C CG . ASN D 2 156 ? 26.775 -19.683 -79.106 1.00 77.80 ? 156 ASN D CG 1 ATOM 8683 O OD1 . ASN D 2 156 ? 27.399 -20.683 -78.699 1.00 85.69 ? 156 ASN D OD1 1 ATOM 8684 N ND2 . ASN D 2 156 ? 26.722 -18.505 -78.408 1.00 72.38 ? 156 ASN D ND2 1 ATOM 8685 N N . PHE D 2 157 ? 25.647 -23.397 -81.041 1.00 94.44 ? 157 PHE D N 1 ATOM 8686 C CA . PHE D 2 157 ? 25.042 -24.674 -80.542 1.00 95.81 ? 157 PHE D CA 1 ATOM 8687 C C . PHE D 2 157 ? 24.158 -25.329 -81.602 1.00 92.75 ? 157 PHE D C 1 ATOM 8688 O O . PHE D 2 157 ? 23.637 -24.669 -82.498 1.00 88.98 ? 157 PHE D O 1 ATOM 8689 C CB . PHE D 2 157 ? 24.209 -24.524 -79.245 1.00 90.18 ? 157 PHE D CB 1 ATOM 8690 C CG . PHE D 2 157 ? 25.027 -24.586 -77.955 1.00 96.83 ? 157 PHE D CG 1 ATOM 8691 C CD1 . PHE D 2 157 ? 25.960 -23.602 -77.584 1.00 96.39 ? 157 PHE D CD1 1 ATOM 8692 C CD2 . PHE D 2 157 ? 24.844 -25.649 -77.109 1.00 104.04 ? 157 PHE D CD2 1 ATOM 8693 C CE1 . PHE D 2 157 ? 26.663 -23.702 -76.383 1.00 97.21 ? 157 PHE D CE1 1 ATOM 8694 C CE2 . PHE D 2 157 ? 25.537 -25.756 -75.934 1.00 103.65 ? 157 PHE D CE2 1 ATOM 8695 C CZ . PHE D 2 157 ? 26.447 -24.793 -75.564 1.00 101.10 ? 157 PHE D CZ 1 HETATM 8696 C C1 . NAG E 3 . ? -23.735 -20.190 -55.211 1.00 20.88 ? 701 NAG A C1 1 HETATM 8697 C C2 . NAG E 3 . ? -24.644 -19.017 -55.529 1.00 24.73 ? 701 NAG A C2 1 HETATM 8698 C C3 . NAG E 3 . ? -24.008 -17.702 -55.080 1.00 26.69 ? 701 NAG A C3 1 HETATM 8699 C C4 . NAG E 3 . ? -23.580 -17.785 -53.620 1.00 23.75 ? 701 NAG A C4 1 HETATM 8700 C C5 . NAG E 3 . ? -22.705 -19.012 -53.386 1.00 22.52 ? 701 NAG A C5 1 HETATM 8701 C C6 . NAG E 3 . ? -22.417 -19.199 -51.901 1.00 24.33 ? 701 NAG A C6 1 HETATM 8702 C C7 . NAG E 3 . ? -26.121 -19.143 -57.422 1.00 31.50 ? 701 NAG A C7 1 HETATM 8703 C C8 . NAG E 3 . ? -26.275 -19.047 -58.910 1.00 31.40 ? 701 NAG A C8 1 HETATM 8704 N N2 . NAG E 3 . ? -24.884 -19.016 -56.958 1.00 31.10 ? 701 NAG A N2 1 HETATM 8705 O O3 . NAG E 3 . ? -24.916 -16.604 -55.247 1.00 30.46 ? 701 NAG A O3 1 HETATM 8706 O O4 . NAG E 3 . ? -22.762 -16.658 -53.359 1.00 19.04 ? 701 NAG A O4 1 HETATM 8707 O O5 . NAG E 3 . ? -23.364 -20.186 -53.840 1.00 20.99 ? 701 NAG A O5 1 HETATM 8708 O O6 . NAG E 3 . ? -23.667 -19.422 -51.227 1.00 30.05 ? 701 NAG A O6 1 HETATM 8709 O O7 . NAG E 3 . ? -27.065 -19.319 -56.672 1.00 36.80 ? 701 NAG A O7 1 HETATM 8710 C C1 . NAG F 3 . ? -23.310 -15.822 -52.348 1.00 25.33 ? 702 NAG A C1 1 HETATM 8711 C C2 . NAG F 3 . ? -22.183 -14.912 -51.875 1.00 26.85 ? 702 NAG A C2 1 HETATM 8712 C C3 . NAG F 3 . ? -22.718 -13.886 -50.882 1.00 25.37 ? 702 NAG A C3 1 HETATM 8713 C C4 . NAG F 3 . ? -23.947 -13.143 -51.419 1.00 23.99 ? 702 NAG A C4 1 HETATM 8714 C C5 . NAG F 3 . ? -24.964 -14.134 -51.970 1.00 24.32 ? 702 NAG A C5 1 HETATM 8715 C C6 . NAG F 3 . ? -26.071 -13.381 -52.706 1.00 25.37 ? 702 NAG A C6 1 HETATM 8716 C C7 . NAG F 3 . ? -20.092 -16.236 -51.976 1.00 23.45 ? 702 NAG A C7 1 HETATM 8717 C C8 . NAG F 3 . ? -19.196 -17.182 -51.230 1.00 20.95 ? 702 NAG A C8 1 HETATM 8718 N N2 . NAG F 3 . ? -21.100 -15.695 -51.282 1.00 25.81 ? 702 NAG A N2 1 HETATM 8719 O O3 . NAG F 3 . ? -21.645 -12.980 -50.637 1.00 25.27 ? 702 NAG A O3 1 HETATM 8720 O O4 . NAG F 3 . ? -24.698 -12.461 -50.409 1.00 22.31 ? 702 NAG A O4 1 HETATM 8721 O O5 . NAG F 3 . ? -24.379 -15.060 -52.878 1.00 27.66 ? 702 NAG A O5 1 HETATM 8722 O O6 . NAG F 3 . ? -25.496 -12.734 -53.850 1.00 29.03 ? 702 NAG A O6 1 HETATM 8723 O O7 . NAG F 3 . ? -19.890 -15.981 -53.149 1.00 27.36 ? 702 NAG A O7 1 HETATM 8724 C C1 . BMA G 4 . ? -24.110 -11.269 -49.897 1.00 23.96 ? 703 BMA A C1 1 HETATM 8725 C C2 . BMA G 4 . ? -25.227 -10.351 -49.396 1.00 24.25 ? 703 BMA A C2 1 HETATM 8726 C C3 . BMA G 4 . ? -24.645 -9.112 -48.725 1.00 26.51 ? 703 BMA A C3 1 HETATM 8727 C C4 . BMA G 4 . ? -23.631 -9.529 -47.662 1.00 24.05 ? 703 BMA A C4 1 HETATM 8728 C C5 . BMA G 4 . ? -22.586 -10.437 -48.308 1.00 25.50 ? 703 BMA A C5 1 HETATM 8729 C C6 . BMA G 4 . ? -21.534 -10.923 -47.327 1.00 23.86 ? 703 BMA A C6 1 HETATM 8730 O O2 . BMA G 4 . ? -26.046 -11.061 -48.468 1.00 23.71 ? 703 BMA A O2 1 HETATM 8731 O O3 . BMA G 4 . ? -25.695 -8.278 -48.191 1.00 31.09 ? 703 BMA A O3 1 HETATM 8732 O O4 . BMA G 4 . ? -22.998 -8.370 -47.114 1.00 20.27 ? 703 BMA A O4 1 HETATM 8733 O O5 . BMA G 4 . ? -23.255 -11.582 -48.809 1.00 22.29 ? 703 BMA A O5 1 HETATM 8734 O O6 . BMA G 4 . ? -22.244 -11.253 -46.137 1.00 26.95 ? 703 BMA A O6 1 HETATM 8735 C C1 . MAN H 5 . ? -21.377 -11.778 -45.128 1.00 21.87 ? 704 MAN A C1 1 HETATM 8736 C C2 . MAN H 5 . ? -22.293 -12.377 -44.073 1.00 19.70 ? 704 MAN A C2 1 HETATM 8737 C C3 . MAN H 5 . ? -23.129 -11.280 -43.413 1.00 21.26 ? 704 MAN A C3 1 HETATM 8738 C C4 . MAN H 5 . ? -22.243 -10.127 -42.958 1.00 21.04 ? 704 MAN A C4 1 HETATM 8739 C C5 . MAN H 5 . ? -21.341 -9.645 -44.080 1.00 21.53 ? 704 MAN A C5 1 HETATM 8740 C C6 . MAN H 5 . ? -20.446 -8.514 -43.572 1.00 20.30 ? 704 MAN A C6 1 HETATM 8741 O O2 . MAN H 5 . ? -21.503 -13.047 -43.095 1.00 20.05 ? 704 MAN A O2 1 HETATM 8742 O O3 . MAN H 5 . ? -23.762 -11.780 -42.236 1.00 22.63 ? 704 MAN A O3 1 HETATM 8743 O O4 . MAN H 5 . ? -23.045 -9.035 -42.507 1.00 22.26 ? 704 MAN A O4 1 HETATM 8744 O O5 . MAN H 5 . ? -20.563 -10.750 -44.562 1.00 22.34 ? 704 MAN A O5 1 HETATM 8745 O O6 . MAN H 5 . ? -19.743 -7.958 -44.684 1.00 23.56 ? 704 MAN A O6 1 HETATM 8746 C C1 . MAN I 5 . ? -19.154 -6.713 -44.319 1.00 24.62 ? 705 MAN A C1 1 HETATM 8747 C C2 . MAN I 5 . ? -19.071 -5.830 -45.569 1.00 27.22 ? 705 MAN A C2 1 HETATM 8748 C C3 . MAN I 5 . ? -18.094 -6.453 -46.562 1.00 27.93 ? 705 MAN A C3 1 HETATM 8749 C C4 . MAN I 5 . ? -16.764 -6.798 -45.902 1.00 22.84 ? 705 MAN A C4 1 HETATM 8750 C C5 . MAN I 5 . ? -16.993 -7.634 -44.650 1.00 26.95 ? 705 MAN A C5 1 HETATM 8751 C C6 . MAN I 5 . ? -15.671 -7.937 -43.953 1.00 28.23 ? 705 MAN A C6 1 HETATM 8752 O O2 . MAN I 5 . ? -18.681 -4.486 -45.232 1.00 28.35 ? 705 MAN A O2 1 HETATM 8753 O O3 . MAN I 5 . ? -17.855 -5.597 -47.687 1.00 22.54 ? 705 MAN A O3 1 HETATM 8754 O O4 . MAN I 5 . ? -15.986 -7.564 -46.827 1.00 20.88 ? 705 MAN A O4 1 HETATM 8755 O O5 . MAN I 5 . ? -17.864 -6.937 -43.756 1.00 28.36 ? 705 MAN A O5 1 HETATM 8756 O O6 . MAN I 5 . ? -15.910 -8.852 -42.883 1.00 26.36 ? 705 MAN A O6 1 HETATM 8757 C C1 . MAN J 5 . ? -24.992 -12.432 -42.560 1.00 25.66 ? 706 MAN A C1 1 HETATM 8758 C C2 . MAN J 5 . ? -26.020 -11.941 -41.550 1.00 27.17 ? 706 MAN A C2 1 HETATM 8759 C C3 . MAN J 5 . ? -25.577 -12.343 -40.145 1.00 22.62 ? 706 MAN A C3 1 HETATM 8760 C C4 . MAN J 5 . ? -25.297 -13.841 -40.061 1.00 27.30 ? 706 MAN A C4 1 HETATM 8761 C C5 . MAN J 5 . ? -24.426 -14.352 -41.215 1.00 28.57 ? 706 MAN A C5 1 HETATM 8762 C C6 . MAN J 5 . ? -24.480 -15.879 -41.221 1.00 25.64 ? 706 MAN A C6 1 HETATM 8763 O O2 . MAN J 5 . ? -27.310 -12.471 -41.879 1.00 24.43 ? 706 MAN A O2 1 HETATM 8764 O O3 . MAN J 5 . ? -26.576 -11.968 -39.186 1.00 21.37 ? 706 MAN A O3 1 HETATM 8765 O O4 . MAN J 5 . ? -24.631 -14.131 -38.828 1.00 27.39 ? 706 MAN A O4 1 HETATM 8766 O O5 . MAN J 5 . ? -24.881 -13.857 -42.487 1.00 29.72 ? 706 MAN A O5 1 HETATM 8767 O O6 . MAN J 5 . ? -23.843 -16.394 -42.395 1.00 34.24 ? 706 MAN A O6 1 HETATM 8768 C C1 . NAG K 3 . ? -17.857 -12.042 -50.950 1.00 25.20 ? 707 NAG A C1 1 HETATM 8769 C C2 . NAG K 3 . ? -18.133 -10.901 -49.973 1.00 27.35 ? 707 NAG A C2 1 HETATM 8770 C C3 . NAG K 3 . ? -19.528 -10.318 -50.186 1.00 27.54 ? 707 NAG A C3 1 HETATM 8771 C C4 . NAG K 3 . ? -19.805 -10.004 -51.652 1.00 24.75 ? 707 NAG A C4 1 HETATM 8772 C C5 . NAG K 3 . ? -19.514 -11.264 -52.447 1.00 25.08 ? 707 NAG A C5 1 HETATM 8773 C C6 . NAG K 3 . ? -19.883 -11.126 -53.924 1.00 28.65 ? 707 NAG A C6 1 HETATM 8774 C C7 . NAG K 3 . ? -17.338 -10.699 -47.701 1.00 21.91 ? 707 NAG A C7 1 HETATM 8775 C C8 . NAG K 3 . ? -17.324 -11.266 -46.314 1.00 19.82 ? 707 NAG A C8 1 HETATM 8776 N N2 . NAG K 3 . ? -18.020 -11.386 -48.612 1.00 22.92 ? 707 NAG A N2 1 HETATM 8777 O O3 . NAG K 3 . ? -19.699 -9.157 -49.360 1.00 25.46 ? 707 NAG A O3 1 HETATM 8778 O O4 . NAG K 3 . ? -21.202 -9.718 -51.809 1.00 32.54 ? 707 NAG A O4 1 HETATM 8779 O O5 . NAG K 3 . ? -18.146 -11.614 -52.283 1.00 24.53 ? 707 NAG A O5 1 HETATM 8780 O O6 . NAG K 3 . ? -19.147 -10.058 -54.525 1.00 28.33 ? 707 NAG A O6 1 HETATM 8781 O O7 . NAG K 3 . ? -16.760 -9.663 -47.975 1.00 24.31 ? 707 NAG A O7 1 HETATM 8782 C C1 . NAG L 3 . ? -21.480 -8.305 -51.918 1.00 27.40 ? 708 NAG A C1 1 HETATM 8783 C C2 . NAG L 3 . ? -22.845 -8.146 -52.572 1.00 28.18 ? 708 NAG A C2 1 HETATM 8784 C C3 . NAG L 3 . ? -23.232 -6.681 -52.708 1.00 33.59 ? 708 NAG A C3 1 HETATM 8785 C C4 . NAG L 3 . ? -23.112 -5.874 -51.401 1.00 30.38 ? 708 NAG A C4 1 HETATM 8786 C C5 . NAG L 3 . ? -21.768 -6.223 -50.745 1.00 28.31 ? 708 NAG A C5 1 HETATM 8787 C C6 . NAG L 3 . ? -21.609 -5.584 -49.366 1.00 26.88 ? 708 NAG A C6 1 HETATM 8788 C C7 . NAG L 3 . ? -23.689 -9.814 -54.141 1.00 27.63 ? 708 NAG A C7 1 HETATM 8789 C C8 . NAG L 3 . ? -23.767 -10.244 -55.574 1.00 21.73 ? 708 NAG A C8 1 HETATM 8790 N N2 . NAG L 3 . ? -22.921 -8.752 -53.891 1.00 21.63 ? 708 NAG A N2 1 HETATM 8791 O O3 . NAG L 3 . ? -24.584 -6.747 -53.176 1.00 30.06 ? 708 NAG A O3 1 HETATM 8792 O O4 . NAG L 3 . ? -23.001 -4.441 -51.579 1.00 33.83 ? 708 NAG A O4 1 HETATM 8793 O O5 . NAG L 3 . ? -21.515 -7.631 -50.652 1.00 26.33 ? 708 NAG A O5 1 HETATM 8794 O O6 . NAG L 3 . ? -22.599 -6.109 -48.472 1.00 24.66 ? 708 NAG A O6 1 HETATM 8795 O O7 . NAG L 3 . ? -24.292 -10.417 -53.268 1.00 25.63 ? 708 NAG A O7 1 HETATM 8796 C C1 . BMA M 4 . ? -24.086 -3.529 -51.962 1.00 41.98 ? 709 BMA A C1 1 HETATM 8797 C C2 . BMA M 4 . ? -25.286 -4.092 -52.734 1.00 41.94 ? 709 BMA A C2 1 HETATM 8798 C C3 . BMA M 4 . ? -26.311 -3.104 -53.234 1.00 39.06 ? 709 BMA A C3 1 HETATM 8799 C C4 . BMA M 4 . ? -26.696 -2.330 -51.984 1.00 37.48 ? 709 BMA A C4 1 HETATM 8800 C C5 . BMA M 4 . ? -25.454 -1.750 -51.341 1.00 42.27 ? 709 BMA A C5 1 HETATM 8801 C C6 . BMA M 4 . ? -25.868 -0.883 -50.186 1.00 37.88 ? 709 BMA A C6 1 HETATM 8802 O O2 . BMA M 4 . ? -25.995 -4.981 -51.868 1.00 49.21 ? 709 BMA A O2 1 HETATM 8803 O O3 . BMA M 4 . ? -27.392 -3.937 -53.696 1.00 42.07 ? 709 BMA A O3 1 HETATM 8804 O O4 . BMA M 4 . ? -27.546 -1.213 -52.237 1.00 39.02 ? 709 BMA A O4 1 HETATM 8805 O O5 . BMA M 4 . ? -24.579 -2.774 -50.860 1.00 47.69 ? 709 BMA A O5 1 HETATM 8806 O O6 . BMA M 4 . ? -24.644 -0.350 -49.731 1.00 34.51 ? 709 BMA A O6 1 HETATM 8807 C C1 . MAN N 5 . ? -27.604 -4.042 -55.135 1.00 36.63 ? 710 MAN A C1 1 HETATM 8808 C C2 . MAN N 5 . ? -28.305 -5.371 -55.469 1.00 41.07 ? 710 MAN A C2 1 HETATM 8809 C C3 . MAN N 5 . ? -27.338 -6.511 -55.754 1.00 43.18 ? 710 MAN A C3 1 HETATM 8810 C C4 . MAN N 5 . ? -26.265 -6.094 -56.737 1.00 37.36 ? 710 MAN A C4 1 HETATM 8811 C C5 . MAN N 5 . ? -25.563 -4.814 -56.309 1.00 39.09 ? 710 MAN A C5 1 HETATM 8812 C C6 . MAN N 5 . ? -24.655 -4.344 -57.443 1.00 37.50 ? 710 MAN A C6 1 HETATM 8813 O O2 . MAN N 5 . ? -29.171 -5.228 -56.601 1.00 41.38 ? 710 MAN A O2 1 HETATM 8814 O O3 . MAN N 5 . ? -28.054 -7.580 -56.375 1.00 47.38 ? 710 MAN A O3 1 HETATM 8815 O O4 . MAN N 5 . ? -25.307 -7.152 -56.787 1.00 36.73 ? 710 MAN A O4 1 HETATM 8816 O O5 . MAN N 5 . ? -26.489 -3.766 -56.004 1.00 37.03 ? 710 MAN A O5 1 HETATM 8817 O O6 . MAN N 5 . ? -23.789 -3.301 -56.975 1.00 46.81 ? 710 MAN A O6 1 HETATM 8818 C C1 . MAN O 5 . ? -28.534 -8.500 -55.384 1.00 51.63 ? 711 MAN A C1 1 HETATM 8819 C C2 . MAN O 5 . ? -28.043 -9.914 -55.697 1.00 50.92 ? 711 MAN A C2 1 HETATM 8820 C C3 . MAN O 5 . ? -28.606 -10.383 -57.028 1.00 56.29 ? 711 MAN A C3 1 HETATM 8821 C C4 . MAN O 5 . ? -30.121 -10.235 -57.036 1.00 59.55 ? 711 MAN A C4 1 HETATM 8822 C C5 . MAN O 5 . ? -30.551 -8.836 -56.600 1.00 57.57 ? 711 MAN A C5 1 HETATM 8823 C C6 . MAN O 5 . ? -32.071 -8.780 -56.477 1.00 56.37 ? 711 MAN A C6 1 HETATM 8824 O O2 . MAN O 5 . ? -28.501 -10.818 -54.685 1.00 46.36 ? 711 MAN A O2 1 HETATM 8825 O O3 . MAN O 5 . ? -28.283 -11.762 -57.221 1.00 53.85 ? 711 MAN A O3 1 HETATM 8826 O O4 . MAN O 5 . ? -30.606 -10.497 -58.360 1.00 65.11 ? 711 MAN A O4 1 HETATM 8827 O O5 . MAN O 5 . ? -29.957 -8.500 -55.343 1.00 55.51 ? 711 MAN A O5 1 HETATM 8828 O O6 . MAN O 5 . ? -32.480 -7.481 -56.038 1.00 54.23 ? 711 MAN A O6 1 HETATM 8829 C C1 . MAN P 5 . ? -24.840 0.197 -48.435 1.00 32.45 ? 712 MAN A C1 1 HETATM 8830 C C2 . MAN P 5 . ? -24.711 1.713 -48.583 1.00 32.31 ? 712 MAN A C2 1 HETATM 8831 C C3 . MAN P 5 . ? -23.265 2.099 -48.926 1.00 36.85 ? 712 MAN A C3 1 HETATM 8832 C C4 . MAN P 5 . ? -22.230 1.298 -48.143 1.00 36.08 ? 712 MAN A C4 1 HETATM 8833 C C5 . MAN P 5 . ? -22.557 -0.179 -48.224 1.00 29.59 ? 712 MAN A C5 1 HETATM 8834 C C6 . MAN P 5 . ? -21.474 -1.016 -47.557 1.00 33.69 ? 712 MAN A C6 1 HETATM 8835 O O2 . MAN P 5 . ? -25.213 2.405 -47.423 1.00 33.33 ? 712 MAN A O2 1 HETATM 8836 O O3 . MAN P 5 . ? -23.045 3.493 -48.687 1.00 42.51 ? 712 MAN A O3 1 HETATM 8837 O O4 . MAN P 5 . ? -20.926 1.515 -48.686 1.00 35.82 ? 712 MAN A O4 1 HETATM 8838 O O5 . MAN P 5 . ? -23.831 -0.348 -47.598 1.00 36.90 ? 712 MAN A O5 1 HETATM 8839 O O6 . MAN P 5 . ? -21.766 -2.418 -47.689 1.00 31.99 ? 712 MAN A O6 1 HETATM 8840 C C1 . NAG Q 3 . ? 9.171 27.871 -11.045 1.00 44.15 ? 713 NAG A C1 1 HETATM 8841 C C2 . NAG Q 3 . ? 9.246 28.588 -12.394 1.00 41.37 ? 713 NAG A C2 1 HETATM 8842 C C3 . NAG Q 3 . ? 9.906 27.777 -13.498 1.00 46.34 ? 713 NAG A C3 1 HETATM 8843 C C4 . NAG Q 3 . ? 11.229 27.187 -13.044 1.00 47.38 ? 713 NAG A C4 1 HETATM 8844 C C5 . NAG Q 3 . ? 11.031 26.452 -11.731 1.00 46.48 ? 713 NAG A C5 1 HETATM 8845 C C6 . NAG Q 3 . ? 12.385 25.946 -11.249 1.00 41.38 ? 713 NAG A C6 1 HETATM 8846 C C7 . NAG Q 3 . ? 7.433 30.167 -12.731 1.00 48.94 ? 713 NAG A C7 1 HETATM 8847 C C8 . NAG Q 3 . ? 5.998 30.309 -13.136 1.00 46.94 ? 713 NAG A C8 1 HETATM 8848 N N2 . NAG Q 3 . ? 7.916 28.936 -12.843 1.00 43.38 ? 713 NAG A N2 1 HETATM 8849 O O3 . NAG Q 3 . ? 10.113 28.632 -14.625 1.00 42.20 ? 713 NAG A O3 1 HETATM 8850 O O4 . NAG Q 3 . ? 11.643 26.187 -13.977 1.00 47.79 ? 713 NAG A O4 1 HETATM 8851 O O5 . NAG Q 3 . ? 10.430 27.275 -10.727 1.00 45.37 ? 713 NAG A O5 1 HETATM 8852 O O6 . NAG Q 3 . ? 12.458 26.071 -9.830 1.00 47.59 ? 713 NAG A O6 1 HETATM 8853 O O7 . NAG Q 3 . ? 8.104 31.109 -12.335 1.00 49.35 ? 713 NAG A O7 1 HETATM 8854 C C1 . NAG R 3 . ? 12.749 26.607 -14.790 1.00 54.46 ? 714 NAG A C1 1 HETATM 8855 C C2 . NAG R 3 . ? 13.565 25.354 -15.098 1.00 53.90 ? 714 NAG A C2 1 HETATM 8856 C C3 . NAG R 3 . ? 14.580 25.564 -16.214 1.00 53.92 ? 714 NAG A C3 1 HETATM 8857 C C4 . NAG R 3 . ? 13.867 26.135 -17.428 1.00 58.20 ? 714 NAG A C4 1 HETATM 8858 C C5 . NAG R 3 . ? 13.231 27.458 -17.023 1.00 56.67 ? 714 NAG A C5 1 HETATM 8859 C C6 . NAG R 3 . ? 12.524 28.123 -18.199 1.00 54.34 ? 714 NAG A C6 1 HETATM 8860 C C7 . NAG R 3 . ? 14.101 23.644 -13.465 1.00 56.74 ? 714 NAG A C7 1 HETATM 8861 C C8 . NAG R 3 . ? 14.795 23.317 -12.175 1.00 55.45 ? 714 NAG A C8 1 HETATM 8862 N N2 . NAG R 3 . ? 14.232 24.898 -13.892 1.00 55.77 ? 714 NAG A N2 1 HETATM 8863 O O3 . NAG R 3 . ? 15.195 24.316 -16.557 1.00 53.58 ? 714 NAG A O3 1 HETATM 8864 O O4 . NAG R 3 . ? 14.784 26.317 -18.516 1.00 51.27 ? 714 NAG A O4 1 HETATM 8865 O O5 . NAG R 3 . ? 12.275 27.256 -15.975 1.00 60.22 ? 714 NAG A O5 1 HETATM 8866 O O6 . NAG R 3 . ? 11.148 27.719 -18.210 1.00 53.41 ? 714 NAG A O6 1 HETATM 8867 O O7 . NAG R 3 . ? 13.460 22.812 -14.087 1.00 59.39 ? 714 NAG A O7 1 HETATM 8868 AS AS . CAC S 6 . ? -0.888 -23.714 -55.647 1.00 54.26 ? 715 CAC A AS 1 HETATM 8869 O O2 . CAC S 6 . ? -1.356 -25.199 -54.861 1.00 37.56 ? 715 CAC A O2 1 HETATM 8870 C C1 . CAC S 6 . ? -2.060 -22.226 -55.132 1.00 35.01 ? 715 CAC A C1 1 HETATM 8871 C C2 . CAC S 6 . ? -0.951 -23.982 -57.597 1.00 40.62 ? 715 CAC A C2 1 HETATM 8872 C C1 . NAG T 3 . ? 10.703 2.169 -2.912 1.00 17.31 ? 701 NAG B C1 1 HETATM 8873 C C2 . NAG T 3 . ? 10.885 0.857 -3.667 1.00 21.23 ? 701 NAG B C2 1 HETATM 8874 C C3 . NAG T 3 . ? 12.267 0.264 -3.393 1.00 20.78 ? 701 NAG B C3 1 HETATM 8875 C C4 . NAG T 3 . ? 13.395 1.269 -3.645 1.00 21.28 ? 701 NAG B C4 1 HETATM 8876 C C5 . NAG T 3 . ? 13.100 2.524 -2.839 1.00 22.47 ? 701 NAG B C5 1 HETATM 8877 C C6 . NAG T 3 . ? 14.149 3.611 -3.078 1.00 23.55 ? 701 NAG B C6 1 HETATM 8878 C C7 . NAG T 3 . ? 9.273 -0.905 -4.059 1.00 21.06 ? 701 NAG B C7 1 HETATM 8879 C C8 . NAG T 3 . ? 8.449 -1.994 -3.429 1.00 16.72 ? 701 NAG B C8 1 HETATM 8880 N N2 . NAG T 3 . ? 9.887 -0.085 -3.211 1.00 17.49 ? 701 NAG B N2 1 HETATM 8881 O O3 . NAG T 3 . ? 12.435 -0.902 -4.196 1.00 18.51 ? 701 NAG B O3 1 HETATM 8882 O O4 . NAG T 3 . ? 14.641 0.755 -3.160 1.00 21.04 ? 701 NAG B O4 1 HETATM 8883 O O5 . NAG T 3 . ? 11.808 3.039 -3.149 1.00 17.19 ? 701 NAG B O5 1 HETATM 8884 O O6 . NAG T 3 . ? 14.060 4.150 -4.406 1.00 19.83 ? 701 NAG B O6 1 HETATM 8885 O O7 . NAG T 3 . ? 9.377 -0.769 -5.269 1.00 20.56 ? 701 NAG B O7 1 HETATM 8886 C C1 . NAG U 3 . ? 15.475 0.209 -4.198 1.00 29.47 ? 702 NAG B C1 1 HETATM 8887 C C2 . NAG U 3 . ? 16.920 0.449 -3.759 1.00 33.01 ? 702 NAG B C2 1 HETATM 8888 C C3 . NAG U 3 . ? 17.922 -0.298 -4.628 1.00 32.59 ? 702 NAG B C3 1 HETATM 8889 C C4 . NAG U 3 . ? 17.556 -1.765 -4.620 1.00 37.36 ? 702 NAG B C4 1 HETATM 8890 C C5 . NAG U 3 . ? 16.171 -1.881 -5.243 1.00 32.62 ? 702 NAG B C5 1 HETATM 8891 C C6 . NAG U 3 . ? 15.751 -3.335 -5.340 1.00 29.39 ? 702 NAG B C6 1 HETATM 8892 C C7 . NAG U 3 . ? 17.597 2.494 -2.669 1.00 37.94 ? 702 NAG B C7 1 HETATM 8893 C C8 . NAG U 3 . ? 18.007 3.927 -2.841 1.00 35.03 ? 702 NAG B C8 1 HETATM 8894 N N2 . NAG U 3 . ? 17.210 1.870 -3.780 1.00 31.39 ? 702 NAG B N2 1 HETATM 8895 O O3 . NAG U 3 . ? 19.228 -0.158 -4.080 1.00 44.62 ? 702 NAG B O3 1 HETATM 8896 O O4 . NAG U 3 . ? 18.542 -2.527 -5.334 1.00 43.82 ? 702 NAG B O4 1 HETATM 8897 O O5 . NAG U 3 . ? 15.209 -1.182 -4.444 1.00 29.54 ? 702 NAG B O5 1 HETATM 8898 O O6 . NAG U 3 . ? 14.857 -3.598 -4.259 1.00 37.93 ? 702 NAG B O6 1 HETATM 8899 O O7 . NAG U 3 . ? 17.620 1.935 -1.580 1.00 38.23 ? 702 NAG B O7 1 HETATM 8900 C C1 . NAG V 3 . ? 17.531 1.944 -13.938 1.00 52.11 ? 703 NAG B C1 1 HETATM 8901 C C2 . NAG V 3 . ? 18.786 1.225 -13.447 1.00 55.70 ? 703 NAG B C2 1 HETATM 8902 C C3 . NAG V 3 . ? 19.138 0.003 -14.287 1.00 59.26 ? 703 NAG B C3 1 HETATM 8903 C C4 . NAG V 3 . ? 17.931 -0.916 -14.385 1.00 58.67 ? 703 NAG B C4 1 HETATM 8904 C C5 . NAG V 3 . ? 16.726 -0.147 -14.909 1.00 54.83 ? 703 NAG B C5 1 HETATM 8905 C C6 . NAG V 3 . ? 15.508 -1.061 -14.892 1.00 45.97 ? 703 NAG B C6 1 HETATM 8906 C C7 . NAG V 3 . ? 20.640 2.266 -12.296 1.00 64.78 ? 703 NAG B C7 1 HETATM 8907 C C8 . NAG V 3 . ? 21.736 3.292 -12.340 1.00 62.93 ? 703 NAG B C8 1 HETATM 8908 N N2 . NAG V 3 . ? 19.907 2.146 -13.402 1.00 57.15 ? 703 NAG B N2 1 HETATM 8909 O O3 . NAG V 3 . ? 20.204 -0.705 -13.646 1.00 58.72 ? 703 NAG B O3 1 HETATM 8910 O O4 . NAG V 3 . ? 18.221 -2.023 -15.253 1.00 60.02 ? 703 NAG B O4 1 HETATM 8911 O O5 . NAG V 3 . ? 16.446 1.027 -14.130 1.00 52.04 ? 703 NAG B O5 1 HETATM 8912 O O6 . NAG V 3 . ? 14.563 -0.579 -15.850 1.00 58.37 ? 703 NAG B O6 1 HETATM 8913 O O7 . NAG V 3 . ? 20.433 1.578 -11.307 1.00 65.87 ? 703 NAG B O7 1 HETATM 8914 C C1 . NAG W 3 . ? -25.409 25.871 -23.962 1.00 26.70 ? 701 NAG C C1 1 HETATM 8915 C C2 . NAG W 3 . ? -26.288 24.719 -23.491 1.00 26.35 ? 701 NAG C C2 1 HETATM 8916 C C3 . NAG W 3 . ? -25.727 23.366 -23.911 1.00 29.14 ? 701 NAG C C3 1 HETATM 8917 C C4 . NAG W 3 . ? -25.328 23.334 -25.381 1.00 25.96 ? 701 NAG C C4 1 HETATM 8918 C C5 . NAG W 3 . ? -24.472 24.543 -25.759 1.00 26.47 ? 701 NAG C C5 1 HETATM 8919 C C6 . NAG W 3 . ? -24.237 24.622 -27.264 1.00 23.29 ? 701 NAG C C6 1 HETATM 8920 C C7 . NAG W 3 . ? -27.545 24.984 -21.417 1.00 30.47 ? 701 NAG C C7 1 HETATM 8921 C C8 . NAG W 3 . ? -27.503 24.848 -19.922 1.00 23.09 ? 701 NAG C C8 1 HETATM 8922 N N2 . NAG W 3 . ? -26.392 24.745 -22.045 1.00 28.61 ? 701 NAG C N2 1 HETATM 8923 O O3 . NAG W 3 . ? -26.703 22.337 -23.646 1.00 31.15 ? 701 NAG C O3 1 HETATM 8924 O O4 . NAG W 3 . ? -24.542 22.162 -25.557 1.00 22.82 ? 701 NAG C O4 1 HETATM 8925 O O5 . NAG W 3 . ? -25.098 25.757 -25.356 1.00 24.07 ? 701 NAG C O5 1 HETATM 8926 O O6 . NAG W 3 . ? -25.491 24.799 -27.944 1.00 25.09 ? 701 NAG C O6 1 HETATM 8927 O O7 . NAG W 3 . ? -28.568 25.293 -22.011 1.00 28.55 ? 701 NAG C O7 1 HETATM 8928 C C1 . NAG X 3 . ? -25.142 21.251 -26.496 1.00 29.85 ? 702 NAG C C1 1 HETATM 8929 C C2 . NAG X 3 . ? -23.983 20.375 -26.980 1.00 28.26 ? 702 NAG C C2 1 HETATM 8930 C C3 . NAG X 3 . ? -24.395 19.221 -27.818 1.00 33.55 ? 702 NAG C C3 1 HETATM 8931 C C4 . NAG X 3 . ? -25.587 18.527 -27.216 1.00 33.04 ? 702 NAG C C4 1 HETATM 8932 C C5 . NAG X 3 . ? -26.741 19.451 -26.917 1.00 29.63 ? 702 NAG C C5 1 HETATM 8933 C C6 . NAG X 3 . ? -27.885 18.711 -26.244 1.00 29.85 ? 702 NAG C C6 1 HETATM 8934 C C7 . NAG X 3 . ? -22.107 22.001 -27.039 1.00 24.67 ? 702 NAG C C7 1 HETATM 8935 C C8 . NAG X 3 . ? -21.319 22.941 -27.902 1.00 26.97 ? 702 NAG C C8 1 HETATM 8936 N N2 . NAG X 3 . ? -22.976 21.186 -27.658 1.00 27.24 ? 702 NAG C N2 1 HETATM 8937 O O3 . NAG X 3 . ? -23.307 18.293 -27.905 1.00 35.83 ? 702 NAG C O3 1 HETATM 8938 O O4 . NAG X 3 . ? -25.725 17.888 -28.463 1.00 30.48 ? 702 NAG C O4 1 HETATM 8939 O O5 . NAG X 3 . ? -26.241 20.453 -26.021 1.00 32.62 ? 702 NAG C O5 1 HETATM 8940 O O6 . NAG X 3 . ? -27.356 18.025 -25.103 1.00 34.89 ? 702 NAG C O6 1 HETATM 8941 O O7 . NAG X 3 . ? -21.931 22.010 -25.834 1.00 25.61 ? 702 NAG C O7 1 HETATM 8942 C C1 . BMA Y 4 . ? -25.254 16.550 -28.748 1.00 36.65 ? 703 BMA C C1 1 HETATM 8943 C C2 . BMA Y 4 . ? -26.507 15.724 -29.139 1.00 38.15 ? 703 BMA C C2 1 HETATM 8944 C C3 . BMA Y 4 . ? -26.107 14.361 -29.736 1.00 36.21 ? 703 BMA C C3 1 HETATM 8945 C C4 . BMA Y 4 . ? -25.100 14.503 -30.872 1.00 32.04 ? 703 BMA C C4 1 HETATM 8946 C C5 . BMA Y 4 . ? -24.020 15.454 -30.409 1.00 31.91 ? 703 BMA C C5 1 HETATM 8947 C C6 . BMA Y 4 . ? -23.052 15.880 -31.492 1.00 32.89 ? 703 BMA C C6 1 HETATM 8948 O O2 . BMA Y 4 . ? -27.380 16.357 -30.089 1.00 40.95 ? 703 BMA C O2 1 HETATM 8949 O O3 . BMA Y 4 . ? -27.251 13.671 -30.245 1.00 37.65 ? 703 BMA C O3 1 HETATM 8950 O O4 . BMA Y 4 . ? -24.526 13.247 -31.236 1.00 32.55 ? 703 BMA C O4 1 HETATM 8951 O O5 . BMA Y 4 . ? -24.745 16.610 -30.074 1.00 31.60 ? 703 BMA C O5 1 HETATM 8952 O O6 . BMA Y 4 . ? -23.831 16.433 -32.558 1.00 31.70 ? 703 BMA C O6 1 HETATM 8953 C C1 . MAN Z 5 . ? -23.052 16.564 -33.756 1.00 24.75 ? 704 MAN C C1 1 HETATM 8954 C C2 . MAN Z 5 . ? -23.980 16.892 -34.928 1.00 26.34 ? 704 MAN C C2 1 HETATM 8955 C C3 . MAN Z 5 . ? -24.736 15.663 -35.430 1.00 24.89 ? 704 MAN C C3 1 HETATM 8956 C C4 . MAN Z 5 . ? -23.776 14.528 -35.701 1.00 25.17 ? 704 MAN C C4 1 HETATM 8957 C C5 . MAN Z 5 . ? -22.912 14.251 -34.487 1.00 29.95 ? 704 MAN C C5 1 HETATM 8958 C C6 . MAN Z 5 . ? -21.869 13.219 -34.869 1.00 33.35 ? 704 MAN C C6 1 HETATM 8959 O O2 . MAN Z 5 . ? -23.210 17.453 -35.986 1.00 19.70 ? 704 MAN C O2 1 HETATM 8960 O O3 . MAN Z 5 . ? -25.398 15.941 -36.666 1.00 25.51 ? 704 MAN C O3 1 HETATM 8961 O O4 . MAN Z 5 . ? -24.512 13.342 -36.007 1.00 27.25 ? 704 MAN C O4 1 HETATM 8962 O O5 . MAN Z 5 . ? -22.229 15.422 -34.024 1.00 26.02 ? 704 MAN C O5 1 HETATM 8963 O O6 . MAN Z 5 . ? -21.247 12.762 -33.672 1.00 35.90 ? 704 MAN C O6 1 HETATM 8964 C C1 . MAN AA 5 . ? -20.665 11.481 -33.932 1.00 41.07 ? 705 MAN C C1 1 HETATM 8965 C C2 . MAN AA 5 . ? -20.418 10.840 -32.584 1.00 44.32 ? 705 MAN C C2 1 HETATM 8966 C C3 . MAN AA 5 . ? -19.486 11.756 -31.793 1.00 37.68 ? 705 MAN C C3 1 HETATM 8967 C C4 . MAN AA 5 . ? -18.198 12.043 -32.562 1.00 37.21 ? 705 MAN C C4 1 HETATM 8968 C C5 . MAN AA 5 . ? -18.507 12.487 -33.990 1.00 39.02 ? 705 MAN C C5 1 HETATM 8969 C C6 . MAN AA 5 . ? -17.248 12.604 -34.838 1.00 40.49 ? 705 MAN C C6 1 HETATM 8970 O O2 . MAN AA 5 . ? -19.851 9.542 -32.804 1.00 53.98 ? 705 MAN C O2 1 HETATM 8971 O O3 . MAN AA 5 . ? -19.199 11.208 -30.499 1.00 39.28 ? 705 MAN C O3 1 HETATM 8972 O O4 . MAN AA 5 . ? -17.505 13.114 -31.908 1.00 34.79 ? 705 MAN C O4 1 HETATM 8973 O O5 . MAN AA 5 . ? -19.417 11.583 -34.623 1.00 46.36 ? 705 MAN C O5 1 HETATM 8974 O O6 . MAN AA 5 . ? -17.574 13.195 -36.104 1.00 42.82 ? 705 MAN C O6 1 HETATM 8975 C C1 . MAN BA 5 . ? -26.613 16.652 -36.402 1.00 32.43 ? 706 MAN C C1 1 HETATM 8976 C C2 . MAN BA 5 . ? -27.706 16.101 -37.314 1.00 34.20 ? 706 MAN C C2 1 HETATM 8977 C C3 . MAN BA 5 . ? -27.358 16.427 -38.766 1.00 31.11 ? 706 MAN C C3 1 HETATM 8978 C C4 . MAN BA 5 . ? -27.080 17.921 -38.921 1.00 33.07 ? 706 MAN C C4 1 HETATM 8979 C C5 . MAN BA 5 . ? -25.987 18.324 -37.949 1.00 27.54 ? 706 MAN C C5 1 HETATM 8980 C C6 . MAN BA 5 . ? -25.615 19.793 -38.145 1.00 27.06 ? 706 MAN C C6 1 HETATM 8981 O O2 . MAN BA 5 . ? -28.988 16.636 -36.927 1.00 33.33 ? 706 MAN C O2 1 HETATM 8982 O O3 . MAN BA 5 . ? -28.395 16.010 -39.665 1.00 30.13 ? 706 MAN C O3 1 HETATM 8983 O O4 . MAN BA 5 . ? -26.655 18.246 -40.253 1.00 33.50 ? 706 MAN C O4 1 HETATM 8984 O O5 . MAN BA 5 . ? -26.434 18.054 -36.618 1.00 32.42 ? 706 MAN C O5 1 HETATM 8985 O O6 . MAN BA 5 . ? -26.507 20.676 -37.437 1.00 31.22 ? 706 MAN C O6 1 HETATM 8986 C C1 . NAG CA 3 . ? -19.472 17.631 -27.795 1.00 25.58 ? 707 NAG C C1 1 HETATM 8987 C C2 . NAG CA 3 . ? -19.783 16.334 -28.529 1.00 22.32 ? 707 NAG C C2 1 HETATM 8988 C C3 . NAG CA 3 . ? -21.081 15.694 -28.031 1.00 27.84 ? 707 NAG C C3 1 HETATM 8989 C C4 . NAG CA 3 . ? -21.066 15.542 -26.517 1.00 29.40 ? 707 NAG C C4 1 HETATM 8990 C C5 . NAG CA 3 . ? -20.843 16.926 -25.920 1.00 26.61 ? 707 NAG C C5 1 HETATM 8991 C C6 . NAG CA 3 . ? -20.798 16.875 -24.401 1.00 25.32 ? 707 NAG C C6 1 HETATM 8992 C C7 . NAG CA 3 . ? -19.170 15.978 -30.835 1.00 23.25 ? 707 NAG C C7 1 HETATM 8993 C C8 . NAG CA 3 . ? -19.445 16.310 -32.272 1.00 21.49 ? 707 NAG C C8 1 HETATM 8994 N N2 . NAG CA 3 . ? -19.903 16.620 -29.938 1.00 22.20 ? 707 NAG C N2 1 HETATM 8995 O O3 . NAG CA 3 . ? -21.295 14.421 -28.657 1.00 24.77 ? 707 NAG C O3 1 HETATM 8996 O O4 . NAG CA 3 . ? -22.323 15.005 -26.076 1.00 36.37 ? 707 NAG C O4 1 HETATM 8997 O O5 . NAG CA 3 . ? -19.594 17.446 -26.380 1.00 24.63 ? 707 NAG C O5 1 HETATM 8998 O O6 . NAG CA 3 . ? -19.847 15.871 -24.030 1.00 25.52 ? 707 NAG C O6 1 HETATM 8999 O O7 . NAG CA 3 . ? -18.332 15.166 -30.501 1.00 21.39 ? 707 NAG C O7 1 HETATM 9000 C C1 . NAG DA 3 . ? -22.194 13.731 -25.400 1.00 37.06 ? 708 NAG C C1 1 HETATM 9001 C C2 . NAG DA 3 . ? -23.567 13.269 -24.907 1.00 32.97 ? 708 NAG C C2 1 HETATM 9002 C C3 . NAG DA 3 . ? -23.491 11.931 -24.172 1.00 37.32 ? 708 NAG C C3 1 HETATM 9003 C C4 . NAG DA 3 . ? -22.654 10.903 -24.918 1.00 41.15 ? 708 NAG C C4 1 HETATM 9004 C C5 . NAG DA 3 . ? -21.347 11.524 -25.409 1.00 37.72 ? 708 NAG C C5 1 HETATM 9005 C C6 . NAG DA 3 . ? -20.517 10.532 -26.218 1.00 35.45 ? 708 NAG C C6 1 HETATM 9006 C C7 . NAG DA 3 . ? -25.188 15.000 -24.381 1.00 36.94 ? 708 NAG C C7 1 HETATM 9007 C C8 . NAG DA 3 . ? -25.406 16.265 -23.605 1.00 37.33 ? 708 NAG C C8 1 HETATM 9008 N N2 . NAG DA 3 . ? -24.125 14.277 -24.030 1.00 30.50 ? 708 NAG C N2 1 HETATM 9009 O O3 . NAG DA 3 . ? -24.805 11.388 -24.035 1.00 43.32 ? 708 NAG C O3 1 HETATM 9010 O O4 . NAG DA 3 . ? -22.367 9.825 -24.015 1.00 41.21 ? 708 NAG C O4 1 HETATM 9011 O O5 . NAG DA 3 . ? -21.600 12.697 -26.188 1.00 34.90 ? 708 NAG C O5 1 HETATM 9012 O O6 . NAG DA 3 . ? -19.123 10.789 -25.996 1.00 35.49 ? 708 NAG C O6 1 HETATM 9013 O O7 . NAG DA 3 . ? -25.945 14.655 -25.273 1.00 40.44 ? 708 NAG C O7 1 HETATM 9014 C C1 . NAG EA 3 . ? 7.781 -22.986 -66.995 1.00 41.12 ? 709 NAG C C1 1 HETATM 9015 C C2 . NAG EA 3 . ? 8.092 -23.688 -65.671 1.00 46.14 ? 709 NAG C C2 1 HETATM 9016 C C3 . NAG EA 3 . ? 8.943 -22.889 -64.696 1.00 44.84 ? 709 NAG C C3 1 HETATM 9017 C C4 . NAG EA 3 . ? 10.162 -22.304 -65.382 1.00 44.16 ? 709 NAG C C4 1 HETATM 9018 C C5 . NAG EA 3 . ? 9.686 -21.469 -66.568 1.00 45.34 ? 709 NAG C C5 1 HETATM 9019 C C6 . NAG EA 3 . ? 10.871 -20.896 -67.340 1.00 44.61 ? 709 NAG C C6 1 HETATM 9020 C C7 . NAG EA 3 . ? 6.430 -25.290 -64.923 1.00 54.45 ? 709 NAG C C7 1 HETATM 9021 C C8 . NAG EA 3 . ? 5.041 -25.469 -64.383 1.00 53.31 ? 709 NAG C C8 1 HETATM 9022 N N2 . NAG EA 3 . ? 6.854 -24.033 -65.002 1.00 51.34 ? 709 NAG C N2 1 HETATM 9023 O O3 . NAG EA 3 . ? 9.351 -23.752 -63.627 1.00 45.21 ? 709 NAG C O3 1 HETATM 9024 O O4 . NAG EA 3 . ? 10.822 -21.444 -64.442 1.00 42.71 ? 709 NAG C O4 1 HETATM 9025 O O5 . NAG EA 3 . ? 8.873 -22.206 -67.493 1.00 38.50 ? 709 NAG C O5 1 HETATM 9026 O O6 . NAG EA 3 . ? 11.330 -21.879 -68.279 1.00 40.19 ? 709 NAG C O6 1 HETATM 9027 O O7 . NAG EA 3 . ? 7.126 -26.232 -65.265 1.00 52.54 ? 709 NAG C O7 1 HETATM 9028 C C1 . NAG FA 3 . ? 12.059 -21.987 -63.935 1.00 58.02 ? 710 NAG C C1 1 HETATM 9029 C C2 . NAG FA 3 . ? 12.798 -20.838 -63.247 1.00 60.24 ? 710 NAG C C2 1 HETATM 9030 C C3 . NAG FA 3 . ? 14.054 -21.312 -62.523 1.00 62.82 ? 710 NAG C C3 1 HETATM 9031 C C4 . NAG FA 3 . ? 13.699 -22.463 -61.603 1.00 57.89 ? 710 NAG C C4 1 HETATM 9032 C C5 . NAG FA 3 . ? 13.072 -23.581 -62.421 1.00 57.72 ? 710 NAG C C5 1 HETATM 9033 C C6 . NAG FA 3 . ? 12.744 -24.766 -61.521 1.00 55.10 ? 710 NAG C C6 1 HETATM 9034 C C7 . NAG FA 3 . ? 13.627 -18.643 -64.000 1.00 78.47 ? 710 NAG C C7 1 HETATM 9035 C C8 . NAG FA 3 . ? 13.945 -17.825 -65.219 1.00 80.55 ? 710 NAG C C8 1 HETATM 9036 N N2 . NAG FA 3 . ? 13.084 -19.831 -64.253 1.00 66.21 ? 710 NAG C N2 1 HETATM 9037 O O3 . NAG FA 3 . ? 14.595 -20.263 -61.716 1.00 66.44 ? 710 NAG C O3 1 HETATM 9038 O O4 . NAG FA 3 . ? 14.875 -22.911 -60.918 1.00 66.38 ? 710 NAG C O4 1 HETATM 9039 O O5 . NAG FA 3 . ? 11.879 -23.102 -63.053 1.00 61.92 ? 710 NAG C O5 1 HETATM 9040 O O6 . NAG FA 3 . ? 11.684 -25.544 -62.088 1.00 56.18 ? 710 NAG C O6 1 HETATM 9041 O O7 . NAG FA 3 . ? 13.854 -18.239 -62.867 1.00 78.05 ? 710 NAG C O7 1 HETATM 9042 AS AS . CAC GA 6 . ? -2.610 29.793 -25.060 1.00 49.72 ? 711 CAC C AS 1 HETATM 9043 O O2 . CAC GA 6 . ? -3.154 31.180 -25.974 1.00 30.11 ? 711 CAC C O2 1 HETATM 9044 C C1 . CAC GA 6 . ? -3.683 28.213 -25.523 1.00 26.14 ? 711 CAC C C1 1 HETATM 9045 C C2 . CAC GA 6 . ? -2.771 30.236 -23.154 1.00 38.37 ? 711 CAC C C2 1 HETATM 9046 C C1 . NAG HA 3 . ? 7.509 1.817 -76.590 1.00 27.72 ? 701 NAG D C1 1 HETATM 9047 C C2 . NAG HA 3 . ? 7.585 3.141 -75.833 1.00 23.45 ? 701 NAG D C2 1 HETATM 9048 C C3 . NAG HA 3 . ? 8.889 3.876 -76.135 1.00 25.13 ? 701 NAG D C3 1 HETATM 9049 C C4 . NAG HA 3 . ? 10.101 2.971 -75.941 1.00 28.15 ? 701 NAG D C4 1 HETATM 9050 C C5 . NAG HA 3 . ? 9.909 1.668 -76.705 1.00 27.86 ? 701 NAG D C5 1 HETATM 9051 C C6 . NAG HA 3 . ? 11.030 0.698 -76.380 1.00 30.04 ? 701 NAG D C6 1 HETATM 9052 C C7 . NAG HA 3 . ? 5.957 4.888 -75.388 1.00 25.02 ? 701 NAG D C7 1 HETATM 9053 C C8 . NAG HA 3 . ? 5.056 5.917 -76.008 1.00 23.72 ? 701 NAG D C8 1 HETATM 9054 N N2 . NAG HA 3 . ? 6.458 3.972 -76.211 1.00 27.70 ? 701 NAG D N2 1 HETATM 9055 O O3 . NAG HA 3 . ? 9.008 5.026 -75.292 1.00 24.84 ? 701 NAG D O3 1 HETATM 9056 O O4 . NAG HA 3 . ? 11.246 3.610 -76.508 1.00 29.17 ? 701 NAG D O4 1 HETATM 9057 O O5 . NAG HA 3 . ? 8.684 1.027 -76.370 1.00 25.38 ? 701 NAG D O5 1 HETATM 9058 O O6 . NAG HA 3 . ? 10.991 0.388 -74.987 1.00 29.80 ? 701 NAG D O6 1 HETATM 9059 O O7 . NAG HA 3 . ? 6.228 4.878 -74.200 1.00 27.73 ? 701 NAG D O7 1 HETATM 9060 C C1 . NAG IA 3 . ? 12.139 4.198 -75.550 1.00 33.45 ? 702 NAG D C1 1 HETATM 9061 C C2 . NAG IA 3 . ? 13.567 3.974 -76.049 1.00 41.56 ? 702 NAG D C2 1 HETATM 9062 C C3 . NAG IA 3 . ? 14.597 4.787 -75.274 1.00 44.02 ? 702 NAG D C3 1 HETATM 9063 C C4 . NAG IA 3 . ? 14.189 6.251 -75.240 1.00 51.08 ? 702 NAG D C4 1 HETATM 9064 C C5 . NAG IA 3 . ? 12.775 6.385 -74.690 1.00 46.14 ? 702 NAG D C5 1 HETATM 9065 C C6 . NAG IA 3 . ? 12.331 7.843 -74.766 1.00 45.78 ? 702 NAG D C6 1 HETATM 9066 C C7 . NAG IA 3 . ? 14.144 1.840 -77.102 1.00 47.26 ? 702 NAG D C7 1 HETATM 9067 C C8 . NAG IA 3 . ? 14.569 0.418 -76.862 1.00 44.91 ? 702 NAG D C8 1 HETATM 9068 N N2 . NAG IA 3 . ? 13.916 2.564 -75.999 1.00 45.54 ? 702 NAG D N2 1 HETATM 9069 O O3 . NAG IA 3 . ? 15.866 4.658 -75.923 1.00 45.44 ? 702 NAG D O3 1 HETATM 9070 O O4 . NAG IA 3 . ? 15.090 7.005 -74.418 1.00 54.48 ? 702 NAG D O4 1 HETATM 9071 O O5 . NAG IA 3 . ? 11.853 5.590 -75.439 1.00 38.25 ? 702 NAG D O5 1 HETATM 9072 O O6 . NAG IA 3 . ? 11.030 7.974 -74.185 1.00 49.31 ? 702 NAG D O6 1 HETATM 9073 O O7 . NAG IA 3 . ? 14.018 2.294 -78.230 1.00 37.88 ? 702 NAG D O7 1 HETATM 9074 C C1 . NAG JA 3 . ? 14.501 2.940 -65.794 1.00 86.20 ? 703 NAG D C1 1 HETATM 9075 C C2 . NAG JA 3 . ? 15.666 3.852 -66.180 1.00 92.47 ? 703 NAG D C2 1 HETATM 9076 C C3 . NAG JA 3 . ? 15.853 4.988 -65.180 1.00 91.59 ? 703 NAG D C3 1 HETATM 9077 C C4 . NAG JA 3 . ? 14.542 5.734 -64.982 1.00 97.39 ? 703 NAG D C4 1 HETATM 9078 C C5 . NAG JA 3 . ? 13.419 4.773 -64.606 1.00 93.39 ? 703 NAG D C5 1 HETATM 9079 C C6 . NAG JA 3 . ? 12.090 5.518 -64.593 1.00 88.38 ? 703 NAG D C6 1 HETATM 9080 C C7 . NAG JA 3 . ? 17.484 2.878 -67.435 1.00 95.80 ? 703 NAG D C7 1 HETATM 9081 C C8 . NAG JA 3 . ? 18.374 1.669 -67.502 1.00 90.08 ? 703 NAG D C8 1 HETATM 9082 N N2 . NAG JA 3 . ? 16.892 3.085 -66.264 1.00 93.75 ? 703 NAG D N2 1 HETATM 9083 O O3 . NAG JA 3 . ? 16.845 5.899 -65.670 1.00 89.52 ? 703 NAG D O3 1 HETATM 9084 O O4 . NAG JA 3 . ? 14.692 6.712 -63.943 1.00 101.37 ? 703 NAG D O4 1 HETATM 9085 O O5 . NAG JA 3 . ? 13.308 3.693 -65.536 1.00 87.29 ? 703 NAG D O5 1 HETATM 9086 O O6 . NAG JA 3 . ? 11.779 5.915 -63.254 1.00 89.74 ? 703 NAG D O6 1 HETATM 9087 O O7 . NAG JA 3 . ? 17.307 3.629 -68.384 1.00 91.83 ? 703 NAG D O7 1 HETATM 9088 O O . HOH KA 7 . ? -8.250 -26.111 -48.061 1.00 24.06 ? 801 HOH A O 1 HETATM 9089 O O . HOH KA 7 . ? -44.601 -52.213 -70.896 1.00 51.47 ? 802 HOH A O 1 HETATM 9090 O O . HOH KA 7 . ? -30.031 -40.397 -54.701 1.00 20.57 ? 803 HOH A O 1 HETATM 9091 O O . HOH KA 7 . ? 15.265 26.811 -20.508 1.00 61.23 ? 804 HOH A O 1 HETATM 9092 O O . HOH KA 7 . ? -0.612 9.864 -6.596 1.00 46.50 ? 805 HOH A O 1 HETATM 9093 O O . HOH KA 7 . ? -20.561 -29.291 -47.672 1.00 20.91 ? 806 HOH A O 1 HETATM 9094 O O . HOH KA 7 . ? -11.236 0.559 -30.356 1.00 18.38 ? 807 HOH A O 1 HETATM 9095 O O . HOH KA 7 . ? 2.688 -10.648 -39.405 1.00 45.96 ? 808 HOH A O 1 HETATM 9096 O O . HOH KA 7 . ? -19.133 -3.790 -43.104 1.00 37.79 ? 809 HOH A O 1 HETATM 9097 O O . HOH KA 7 . ? -26.752 -7.035 -49.826 1.00 23.81 ? 810 HOH A O 1 HETATM 9098 O O . HOH KA 7 . ? 16.094 24.650 -19.493 1.00 32.38 ? 811 HOH A O 1 HETATM 9099 O O . HOH KA 7 . ? 3.203 17.732 -11.854 1.00 30.24 ? 812 HOH A O 1 HETATM 9100 O O . HOH KA 7 . ? -23.940 -28.433 -51.703 1.00 26.16 ? 813 HOH A O 1 HETATM 9101 O O . HOH KA 7 . ? 6.092 -22.927 -52.446 1.00 29.04 ? 814 HOH A O 1 HETATM 9102 O O . HOH KA 7 . ? -39.669 -49.421 -56.649 1.00 45.06 ? 815 HOH A O 1 HETATM 9103 O O . HOH KA 7 . ? -38.855 -42.835 -55.888 1.00 36.67 ? 816 HOH A O 1 HETATM 9104 O O . HOH KA 7 . ? 13.990 -14.697 -30.790 1.00 36.67 ? 817 HOH A O 1 HETATM 9105 O O . HOH KA 7 . ? 5.178 -16.741 -30.710 1.00 21.66 ? 818 HOH A O 1 HETATM 9106 O O . HOH KA 7 . ? -26.959 -25.198 -54.715 1.00 33.51 ? 819 HOH A O 1 HETATM 9107 O O . HOH KA 7 . ? -5.838 -35.606 -29.523 1.00 23.19 ? 820 HOH A O 1 HETATM 9108 O O . HOH KA 7 . ? -22.892 -21.748 -44.701 1.00 34.00 ? 821 HOH A O 1 HETATM 9109 O O . HOH KA 7 . ? -34.021 -28.391 -61.959 1.00 46.43 ? 822 HOH A O 1 HETATM 9110 O O . HOH KA 7 . ? -15.513 -34.356 -45.229 1.00 19.87 ? 823 HOH A O 1 HETATM 9111 O O . HOH KA 7 . ? -7.631 -36.897 -33.600 1.00 30.61 ? 824 HOH A O 1 HETATM 9112 O O . HOH KA 7 . ? 11.440 17.438 3.355 1.00 34.69 ? 825 HOH A O 1 HETATM 9113 O O . HOH KA 7 . ? 3.967 -8.370 -20.282 1.00 31.58 ? 826 HOH A O 1 HETATM 9114 O O . HOH KA 7 . ? -27.485 -51.593 -63.290 1.00 45.02 ? 827 HOH A O 1 HETATM 9115 O O . HOH KA 7 . ? 4.169 -1.769 -28.741 1.00 31.54 ? 828 HOH A O 1 HETATM 9116 O O . HOH KA 7 . ? -13.823 -10.731 -43.751 1.00 29.04 ? 829 HOH A O 1 HETATM 9117 O O . HOH KA 7 . ? 3.868 -9.037 -54.706 1.00 22.25 ? 830 HOH A O 1 HETATM 9118 O O . HOH KA 7 . ? -4.091 -14.128 -36.740 1.00 32.14 ? 831 HOH A O 1 HETATM 9119 O O . HOH KA 7 . ? -0.521 -22.407 -48.854 1.00 16.15 ? 832 HOH A O 1 HETATM 9120 O O . HOH KA 7 . ? -20.866 -15.423 -43.791 1.00 21.12 ? 833 HOH A O 1 HETATM 9121 O O . HOH KA 7 . ? -36.999 -42.644 -39.073 1.00 30.93 ? 834 HOH A O 1 HETATM 9122 O O . HOH KA 7 . ? -8.003 -8.548 -24.895 1.00 23.29 ? 835 HOH A O 1 HETATM 9123 O O . HOH KA 7 . ? -9.158 -22.855 -45.275 1.00 19.82 ? 836 HOH A O 1 HETATM 9124 O O . HOH KA 7 . ? 6.112 -27.255 -47.099 1.00 27.38 ? 837 HOH A O 1 HETATM 9125 O O . HOH KA 7 . ? -26.696 -48.429 -39.846 1.00 29.16 ? 838 HOH A O 1 HETATM 9126 O O . HOH KA 7 . ? -6.532 -10.496 -21.017 1.00 23.30 ? 839 HOH A O 1 HETATM 9127 O O . HOH KA 7 . ? 2.800 -7.138 -32.722 1.00 23.53 ? 840 HOH A O 1 HETATM 9128 O O . HOH KA 7 . ? -12.262 0.502 -21.925 1.00 21.84 ? 841 HOH A O 1 HETATM 9129 O O . HOH KA 7 . ? -31.485 -29.125 -60.561 1.00 30.39 ? 842 HOH A O 1 HETATM 9130 O O . HOH KA 7 . ? -10.886 -17.019 -49.321 1.00 21.19 ? 843 HOH A O 1 HETATM 9131 O O . HOH KA 7 . ? -18.074 -36.227 -50.420 1.00 29.98 ? 844 HOH A O 1 HETATM 9132 O O . HOH KA 7 . ? 11.072 31.254 -0.172 1.00 50.34 ? 845 HOH A O 1 HETATM 9133 O O . HOH KA 7 . ? -0.479 -34.386 -44.392 1.00 23.86 ? 846 HOH A O 1 HETATM 9134 O O . HOH KA 7 . ? -8.633 -20.191 -47.041 1.00 17.19 ? 847 HOH A O 1 HETATM 9135 O O . HOH KA 7 . ? 2.118 21.000 -13.197 1.00 40.49 ? 848 HOH A O 1 HETATM 9136 O O . HOH KA 7 . ? -28.341 -33.978 -46.269 1.00 21.53 ? 849 HOH A O 1 HETATM 9137 O O . HOH KA 7 . ? -8.274 -25.598 -32.688 1.00 25.79 ? 850 HOH A O 1 HETATM 9138 O O . HOH KA 7 . ? -23.714 -14.247 -55.357 1.00 44.16 ? 851 HOH A O 1 HETATM 9139 O O . HOH KA 7 . ? -23.697 -47.354 -35.557 1.00 27.35 ? 852 HOH A O 1 HETATM 9140 O O . HOH KA 7 . ? -35.672 -39.152 -34.370 1.00 34.80 ? 853 HOH A O 1 HETATM 9141 O O . HOH KA 7 . ? -10.334 -20.367 -51.108 1.00 30.36 ? 854 HOH A O 1 HETATM 9142 O O . HOH KA 7 . ? 5.981 -11.344 -32.175 1.00 21.86 ? 855 HOH A O 1 HETATM 9143 O O . HOH KA 7 . ? -8.761 -13.784 -58.679 1.00 33.16 ? 856 HOH A O 1 HETATM 9144 O O . HOH KA 7 . ? -9.314 -46.769 -39.341 1.00 16.77 ? 857 HOH A O 1 HETATM 9145 O O . HOH KA 7 . ? -14.728 -43.117 -57.974 1.00 37.66 ? 858 HOH A O 1 HETATM 9146 O O . HOH KA 7 . ? -4.755 -9.226 -38.647 1.00 17.12 ? 859 HOH A O 1 HETATM 9147 O O . HOH KA 7 . ? -22.878 -28.110 -37.789 1.00 45.96 ? 860 HOH A O 1 HETATM 9148 O O . HOH KA 7 . ? 3.352 -28.462 -37.272 1.00 26.72 ? 861 HOH A O 1 HETATM 9149 O O . HOH KA 7 . ? 6.013 -14.911 -44.579 1.00 20.04 ? 862 HOH A O 1 HETATM 9150 O O . HOH KA 7 . ? -11.762 -14.441 -49.496 1.00 23.22 ? 863 HOH A O 1 HETATM 9151 O O . HOH KA 7 . ? -10.476 -47.984 -35.471 1.00 35.58 ? 864 HOH A O 1 HETATM 9152 O O . HOH KA 7 . ? 5.081 -4.820 -30.023 1.00 50.19 ? 865 HOH A O 1 HETATM 9153 O O . HOH KA 7 . ? -0.155 -26.696 -25.715 1.00 31.14 ? 866 HOH A O 1 HETATM 9154 O O . HOH KA 7 . ? -2.354 -36.129 -55.775 1.00 40.49 ? 867 HOH A O 1 HETATM 9155 O O . HOH KA 7 . ? -41.957 -42.134 -54.012 1.00 48.89 ? 868 HOH A O 1 HETATM 9156 O O . HOH KA 7 . ? -12.878 -11.573 -52.003 1.00 36.55 ? 869 HOH A O 1 HETATM 9157 O O . HOH KA 7 . ? -5.784 -24.647 -52.205 1.00 18.64 ? 870 HOH A O 1 HETATM 9158 O O . HOH KA 7 . ? -6.281 -23.437 -33.680 1.00 30.78 ? 871 HOH A O 1 HETATM 9159 O O . HOH KA 7 . ? 0.374 11.969 1.878 1.00 24.52 ? 872 HOH A O 1 HETATM 9160 O O . HOH KA 7 . ? -19.316 -3.256 -48.569 1.00 30.14 ? 873 HOH A O 1 HETATM 9161 O O . HOH KA 7 . ? -24.640 -20.269 -47.623 1.00 44.71 ? 874 HOH A O 1 HETATM 9162 O O . HOH KA 7 . ? -34.376 -33.566 -55.448 1.00 35.62 ? 875 HOH A O 1 HETATM 9163 O O . HOH KA 7 . ? -8.739 -8.832 -50.418 1.00 35.09 ? 876 HOH A O 1 HETATM 9164 O O . HOH KA 7 . ? -35.972 -44.329 -59.021 1.00 37.70 ? 877 HOH A O 1 HETATM 9165 O O . HOH KA 7 . ? -6.501 -46.644 -35.937 1.00 23.66 ? 878 HOH A O 1 HETATM 9166 O O . HOH KA 7 . ? -16.045 -21.948 -55.622 1.00 33.68 ? 879 HOH A O 1 HETATM 9167 O O . HOH KA 7 . ? -23.865 -17.456 -49.314 1.00 31.56 ? 880 HOH A O 1 HETATM 9168 O O . HOH KA 7 . ? -5.123 -3.927 -36.135 1.00 21.96 ? 881 HOH A O 1 HETATM 9169 O O . HOH KA 7 . ? -44.708 -34.653 -55.652 1.00 42.40 ? 882 HOH A O 1 HETATM 9170 O O . HOH KA 7 . ? -18.154 -38.743 -30.250 1.00 26.70 ? 883 HOH A O 1 HETATM 9171 O O . HOH KA 7 . ? -4.730 -20.441 -34.171 1.00 20.67 ? 884 HOH A O 1 HETATM 9172 O O . HOH KA 7 . ? -12.270 -53.084 -42.363 1.00 26.67 ? 885 HOH A O 1 HETATM 9173 O O . HOH KA 7 . ? -9.398 -22.853 -58.780 1.00 23.73 ? 886 HOH A O 1 HETATM 9174 O O . HOH KA 7 . ? -7.959 4.177 -26.057 1.00 27.19 ? 887 HOH A O 1 HETATM 9175 O O . HOH KA 7 . ? -18.776 -1.710 -45.012 1.00 35.57 ? 888 HOH A O 1 HETATM 9176 O O . HOH KA 7 . ? -6.339 -3.301 -31.686 1.00 18.66 ? 889 HOH A O 1 HETATM 9177 O O . HOH KA 7 . ? -23.012 -28.260 -55.302 1.00 24.86 ? 890 HOH A O 1 HETATM 9178 O O . HOH KA 7 . ? 6.784 -10.779 -26.038 1.00 20.59 ? 891 HOH A O 1 HETATM 9179 O O . HOH KA 7 . ? 5.886 -9.807 -57.876 1.00 48.98 ? 892 HOH A O 1 HETATM 9180 O O . HOH KA 7 . ? 6.821 -8.512 -47.484 1.00 33.18 ? 893 HOH A O 1 HETATM 9181 O O . HOH KA 7 . ? -0.326 -6.348 -54.699 1.00 32.24 ? 894 HOH A O 1 HETATM 9182 O O . HOH KA 7 . ? -27.056 -7.566 -51.997 1.00 18.34 ? 895 HOH A O 1 HETATM 9183 O O . HOH KA 7 . ? -38.456 -46.019 -59.331 1.00 41.25 ? 896 HOH A O 1 HETATM 9184 O O . HOH KA 7 . ? -12.617 -45.672 -42.637 1.00 19.62 ? 897 HOH A O 1 HETATM 9185 O O . HOH KA 7 . ? -8.756 -36.604 -56.904 1.00 24.48 ? 898 HOH A O 1 HETATM 9186 O O . HOH KA 7 . ? -31.458 -6.395 -58.413 1.00 58.34 ? 899 HOH A O 1 HETATM 9187 O O . HOH KA 7 . ? -6.925 -26.547 -59.435 1.00 32.91 ? 900 HOH A O 1 HETATM 9188 O O . HOH KA 7 . ? 0.355 -35.766 -36.003 1.00 27.89 ? 901 HOH A O 1 HETATM 9189 O O . HOH KA 7 . ? -15.658 -31.382 -64.641 1.00 29.25 ? 902 HOH A O 1 HETATM 9190 O O . HOH KA 7 . ? -11.484 -42.679 -51.901 1.00 42.71 ? 903 HOH A O 1 HETATM 9191 O O . HOH KA 7 . ? -2.471 -0.457 -29.284 1.00 13.45 ? 904 HOH A O 1 HETATM 9192 O O . HOH KA 7 . ? -14.760 -47.018 -41.750 1.00 34.23 ? 905 HOH A O 1 HETATM 9193 O O . HOH KA 7 . ? -14.163 -31.521 -32.651 1.00 18.56 ? 906 HOH A O 1 HETATM 9194 O O . HOH KA 7 . ? -5.930 -32.240 -52.285 1.00 17.34 ? 907 HOH A O 1 HETATM 9195 O O . HOH KA 7 . ? -20.246 -21.144 -35.170 1.00 41.52 ? 908 HOH A O 1 HETATM 9196 O O . HOH KA 7 . ? -34.686 -42.639 -67.729 1.00 46.62 ? 909 HOH A O 1 HETATM 9197 O O . HOH KA 7 . ? -3.454 -20.565 -50.901 1.00 21.66 ? 910 HOH A O 1 HETATM 9198 O O . HOH KA 7 . ? 4.343 -21.976 -58.614 1.00 47.47 ? 911 HOH A O 1 HETATM 9199 O O . HOH KA 7 . ? 6.264 -16.700 -42.027 1.00 30.34 ? 912 HOH A O 1 HETATM 9200 O O . HOH KA 7 . ? -8.480 -38.847 -60.490 1.00 32.16 ? 913 HOH A O 1 HETATM 9201 O O . HOH KA 7 . ? -19.608 -12.698 -37.888 1.00 28.62 ? 914 HOH A O 1 HETATM 9202 O O . HOH KA 7 . ? -15.291 -36.237 -47.624 1.00 18.35 ? 915 HOH A O 1 HETATM 9203 O O . HOH KA 7 . ? -14.495 -10.688 -50.055 1.00 24.04 ? 916 HOH A O 1 HETATM 9204 O O . HOH KA 7 . ? -11.273 -25.897 -52.000 1.00 23.09 ? 917 HOH A O 1 HETATM 9205 O O . HOH KA 7 . ? -4.476 -44.927 -48.004 1.00 37.51 ? 918 HOH A O 1 HETATM 9206 O O . HOH KA 7 . ? -20.273 -50.030 -43.908 1.00 38.41 ? 919 HOH A O 1 HETATM 9207 O O . HOH KA 7 . ? 6.301 -19.380 -29.156 1.00 48.13 ? 920 HOH A O 1 HETATM 9208 O O . HOH KA 7 . ? -6.972 -8.997 -52.453 1.00 25.91 ? 921 HOH A O 1 HETATM 9209 O O . HOH KA 7 . ? -17.644 -6.997 -50.160 1.00 28.37 ? 922 HOH A O 1 HETATM 9210 O O . HOH KA 7 . ? -12.461 -13.551 -59.073 1.00 40.56 ? 923 HOH A O 1 HETATM 9211 O O . HOH KA 7 . ? -0.880 -22.261 -24.821 1.00 35.21 ? 924 HOH A O 1 HETATM 9212 O O . HOH KA 7 . ? -5.773 -11.405 -37.499 1.00 23.16 ? 925 HOH A O 1 HETATM 9213 O O . HOH KA 7 . ? -20.400 -22.756 -38.847 1.00 41.70 ? 926 HOH A O 1 HETATM 9214 O O . HOH KA 7 . ? 5.614 -15.718 -26.745 1.00 52.33 ? 927 HOH A O 1 HETATM 9215 O O . HOH KA 7 . ? 8.399 18.737 3.262 1.00 20.38 ? 928 HOH A O 1 HETATM 9216 O O . HOH KA 7 . ? 0.098 -24.233 -26.299 1.00 22.08 ? 929 HOH A O 1 HETATM 9217 O O . HOH KA 7 . ? 1.755 4.242 -25.684 1.00 28.27 ? 930 HOH A O 1 HETATM 9218 O O . HOH KA 7 . ? 7.812 -30.692 -59.014 1.00 43.41 ? 931 HOH A O 1 HETATM 9219 O O . HOH KA 7 . ? -18.446 -37.551 -47.396 1.00 25.24 ? 932 HOH A O 1 HETATM 9220 O O . HOH KA 7 . ? -20.925 -38.236 -49.902 1.00 33.20 ? 933 HOH A O 1 HETATM 9221 O O . HOH KA 7 . ? -17.232 -15.568 -54.198 1.00 24.94 ? 934 HOH A O 1 HETATM 9222 O O . HOH KA 7 . ? -12.376 -18.810 -50.408 1.00 15.08 ? 935 HOH A O 1 HETATM 9223 O O . HOH KA 7 . ? -10.792 -40.502 -62.470 1.00 43.45 ? 936 HOH A O 1 HETATM 9224 O O . HOH KA 7 . ? -1.015 -37.587 -49.727 1.00 28.60 ? 937 HOH A O 1 HETATM 9225 O O . HOH KA 7 . ? -0.794 -0.562 -33.176 1.00 14.68 ? 938 HOH A O 1 HETATM 9226 O O . HOH KA 7 . ? -8.463 -9.743 -41.998 1.00 35.53 ? 939 HOH A O 1 HETATM 9227 O O . HOH KA 7 . ? 1.353 -32.889 -36.870 1.00 22.46 ? 940 HOH A O 1 HETATM 9228 O O . HOH KA 7 . ? -4.466 -15.785 -51.412 1.00 16.69 ? 941 HOH A O 1 HETATM 9229 O O . HOH KA 7 . ? -26.168 -12.146 -36.297 1.00 26.86 ? 942 HOH A O 1 HETATM 9230 O O . HOH KA 7 . ? -3.436 -9.640 -59.330 1.00 40.26 ? 943 HOH A O 1 HETATM 9231 O O . HOH KA 7 . ? 3.339 -6.043 -30.336 1.00 17.73 ? 944 HOH A O 1 HETATM 9232 O O . HOH KA 7 . ? -34.785 -31.632 -62.919 1.00 48.89 ? 945 HOH A O 1 HETATM 9233 O O . HOH KA 7 . ? -23.107 -38.916 -50.383 1.00 31.46 ? 946 HOH A O 1 HETATM 9234 O O . HOH KA 7 . ? -13.231 -43.865 -53.972 1.00 26.35 ? 947 HOH A O 1 HETATM 9235 O O . HOH KA 7 . ? 0.261 -31.048 -31.066 1.00 48.39 ? 948 HOH A O 1 HETATM 9236 O O . HOH KA 7 . ? -5.319 -38.725 -50.220 1.00 41.59 ? 949 HOH A O 1 HETATM 9237 O O . HOH KA 7 . ? -23.693 -14.051 -47.255 1.00 37.17 ? 950 HOH A O 1 HETATM 9238 O O . HOH KA 7 . ? -10.540 2.236 -18.197 1.00 37.46 ? 951 HOH A O 1 HETATM 9239 O O . HOH KA 7 . ? 1.564 -33.742 -39.412 1.00 26.50 ? 952 HOH A O 1 HETATM 9240 O O . HOH KA 7 . ? -15.377 -50.830 -47.888 1.00 37.29 ? 953 HOH A O 1 HETATM 9241 O O . HOH KA 7 . ? -4.541 -7.036 -43.557 1.00 33.97 ? 954 HOH A O 1 HETATM 9242 O O . HOH KA 7 . ? -36.150 -43.933 -47.022 1.00 32.33 ? 955 HOH A O 1 HETATM 9243 O O . HOH KA 7 . ? 4.367 -30.513 -46.164 1.00 34.95 ? 956 HOH A O 1 HETATM 9244 O O . HOH KA 7 . ? -3.052 11.175 -21.348 1.00 51.56 ? 957 HOH A O 1 HETATM 9245 O O . HOH KA 7 . ? -3.000 -2.982 -36.750 1.00 32.31 ? 958 HOH A O 1 HETATM 9246 O O . HOH KA 7 . ? -12.872 -49.290 -48.064 1.00 37.58 ? 959 HOH A O 1 HETATM 9247 O O . HOH KA 7 . ? 13.339 -19.409 -47.011 1.00 16.64 ? 960 HOH A O 1 HETATM 9248 O O . HOH KA 7 . ? -31.003 -32.859 -43.928 1.00 37.71 ? 961 HOH A O 1 HETATM 9249 O O . HOH KA 7 . ? 1.011 14.330 2.474 1.00 39.11 ? 962 HOH A O 1 HETATM 9250 O O . HOH KA 7 . ? -7.664 -36.394 -36.100 1.00 33.28 ? 963 HOH A O 1 HETATM 9251 O O . HOH KA 7 . ? -11.165 4.949 -29.446 1.00 36.77 ? 964 HOH A O 1 HETATM 9252 O O . HOH KA 7 . ? 0.905 6.534 -22.193 1.00 23.41 ? 965 HOH A O 1 HETATM 9253 O O . HOH KA 7 . ? -23.972 -38.534 -34.877 1.00 25.92 ? 966 HOH A O 1 HETATM 9254 O O . HOH KA 7 . ? -15.514 -32.970 -67.754 1.00 52.37 ? 967 HOH A O 1 HETATM 9255 O O . HOH KA 7 . ? 0.373 -16.401 -24.392 1.00 22.36 ? 968 HOH A O 1 HETATM 9256 O O . HOH KA 7 . ? -33.611 -52.118 -59.102 1.00 39.01 ? 969 HOH A O 1 HETATM 9257 O O . HOH KA 7 . ? -12.939 -32.770 -68.216 1.00 55.72 ? 970 HOH A O 1 HETATM 9258 O O . HOH KA 7 . ? -0.517 -23.763 -28.983 1.00 25.21 ? 971 HOH A O 1 HETATM 9259 O O . HOH KA 7 . ? -10.557 -18.391 -54.465 1.00 19.83 ? 972 HOH A O 1 HETATM 9260 O O . HOH KA 7 . ? -11.118 -3.413 -33.335 1.00 40.84 ? 973 HOH A O 1 HETATM 9261 O O . HOH KA 7 . ? -17.686 -8.336 -40.509 1.00 35.21 ? 974 HOH A O 1 HETATM 9262 O O . HOH KA 7 . ? -24.215 -6.994 -44.726 1.00 30.20 ? 975 HOH A O 1 HETATM 9263 O O . HOH KA 7 . ? -17.098 -16.335 -56.856 1.00 23.28 ? 976 HOH A O 1 HETATM 9264 O O . HOH KA 7 . ? -22.652 -36.045 -67.988 1.00 61.98 ? 977 HOH A O 1 HETATM 9265 O O . HOH KA 7 . ? -14.613 -8.210 -50.161 1.00 29.79 ? 978 HOH A O 1 HETATM 9266 O O . HOH KA 7 . ? -23.886 -8.605 -59.023 1.00 57.10 ? 979 HOH A O 1 HETATM 9267 O O . HOH KA 7 . ? -7.588 6.816 -13.701 1.00 43.28 ? 980 HOH A O 1 HETATM 9268 O O . HOH KA 7 . ? -4.525 -7.068 -20.160 1.00 14.61 ? 981 HOH A O 1 HETATM 9269 O O . HOH KA 7 . ? -5.449 -38.268 -31.875 1.00 25.32 ? 982 HOH A O 1 HETATM 9270 O O . HOH KA 7 . ? -15.935 -25.651 -59.853 1.00 48.53 ? 983 HOH A O 1 HETATM 9271 O O . HOH KA 7 . ? -2.288 -5.987 -44.489 1.00 37.14 ? 984 HOH A O 1 HETATM 9272 O O . HOH KA 7 . ? 9.887 -14.081 -38.366 1.00 61.33 ? 985 HOH A O 1 HETATM 9273 O O . HOH KA 7 . ? -5.262 -30.145 -58.431 1.00 27.39 ? 986 HOH A O 1 HETATM 9274 O O . HOH KA 7 . ? -7.850 -18.220 -67.181 1.00 29.37 ? 987 HOH A O 1 HETATM 9275 O O . HOH KA 7 . ? -6.458 -7.862 -38.688 1.00 43.54 ? 988 HOH A O 1 HETATM 9276 O O . HOH KA 7 . ? -44.099 -41.063 -53.623 1.00 47.03 ? 989 HOH A O 1 HETATM 9277 O O . HOH KA 7 . ? -10.976 3.937 -20.354 1.00 29.32 ? 990 HOH A O 1 HETATM 9278 O O . HOH KA 7 . ? -31.519 -34.449 -65.851 1.00 49.60 ? 991 HOH A O 1 HETATM 9279 O O . HOH KA 7 . ? -2.460 13.209 -7.281 1.00 21.19 ? 992 HOH A O 1 HETATM 9280 O O . HOH KA 7 . ? -14.224 -33.773 -63.627 1.00 47.75 ? 993 HOH A O 1 HETATM 9281 O O . HOH KA 7 . ? -24.507 -42.387 -34.431 1.00 37.98 ? 994 HOH A O 1 HETATM 9282 O O . HOH KA 7 . ? -6.911 -46.893 -39.594 1.00 18.78 ? 995 HOH A O 1 HETATM 9283 O O . HOH KA 7 . ? -3.573 -0.914 -48.857 1.00 48.99 ? 996 HOH A O 1 HETATM 9284 O O . HOH KA 7 . ? -8.122 -39.547 -56.325 1.00 33.15 ? 997 HOH A O 1 HETATM 9285 O O . HOH KA 7 . ? -6.834 -11.767 -53.479 1.00 31.55 ? 998 HOH A O 1 HETATM 9286 O O . HOH KA 7 . ? -18.774 -18.081 -57.341 1.00 34.14 ? 999 HOH A O 1 HETATM 9287 O O . HOH KA 7 . ? 8.776 -15.647 -40.947 1.00 24.64 ? 1000 HOH A O 1 HETATM 9288 O O . HOH KA 7 . ? -4.522 -1.090 -30.652 1.00 22.04 ? 1001 HOH A O 1 HETATM 9289 O O . HOH KA 7 . ? 1.002 -32.420 -56.834 1.00 34.03 ? 1002 HOH A O 1 HETATM 9290 O O . HOH KA 7 . ? 4.499 -27.546 -33.248 1.00 41.23 ? 1003 HOH A O 1 HETATM 9291 O O . HOH KA 7 . ? -14.472 2.741 -25.610 1.00 44.07 ? 1004 HOH A O 1 HETATM 9292 O O . HOH KA 7 . ? -1.195 -42.280 -38.668 1.00 24.38 ? 1005 HOH A O 1 HETATM 9293 O O . HOH KA 7 . ? -15.516 -24.572 -55.779 1.00 44.12 ? 1006 HOH A O 1 HETATM 9294 O O . HOH KA 7 . ? -23.665 -3.481 -45.362 1.00 27.51 ? 1007 HOH A O 1 HETATM 9295 O O . HOH KA 7 . ? -23.636 -30.825 -38.076 1.00 31.81 ? 1008 HOH A O 1 HETATM 9296 O O . HOH KA 7 . ? -6.423 -37.935 -59.164 1.00 41.79 ? 1009 HOH A O 1 HETATM 9297 O O . HOH KA 7 . ? 6.365 -9.320 -37.059 1.00 37.10 ? 1010 HOH A O 1 HETATM 9298 O O . HOH KA 7 . ? 3.979 -28.771 -27.146 1.00 60.38 ? 1011 HOH A O 1 HETATM 9299 O O . HOH KA 7 . ? -16.644 -39.785 -28.344 1.00 23.16 ? 1012 HOH A O 1 HETATM 9300 O O . HOH KA 7 . ? -5.098 -13.084 -51.618 1.00 38.67 ? 1013 HOH A O 1 HETATM 9301 O O . HOH KA 7 . ? -6.481 6.209 -26.199 1.00 40.21 ? 1014 HOH A O 1 HETATM 9302 O O . HOH KA 7 . ? -9.753 -48.189 -37.863 1.00 46.02 ? 1015 HOH A O 1 HETATM 9303 O O . HOH KA 7 . ? -25.004 -26.447 -53.623 1.00 33.73 ? 1016 HOH A O 1 HETATM 9304 O O . HOH KA 7 . ? 2.760 -29.389 -33.249 1.00 47.15 ? 1017 HOH A O 1 HETATM 9305 O O . HOH KA 7 . ? -32.458 -34.846 -43.452 1.00 19.13 ? 1018 HOH A O 1 HETATM 9306 O O . HOH KA 7 . ? 6.660 -28.180 -58.415 1.00 46.09 ? 1019 HOH A O 1 HETATM 9307 O O . HOH KA 7 . ? -20.427 -2.437 -51.010 1.00 41.31 ? 1020 HOH A O 1 HETATM 9308 O O . HOH KA 7 . ? -25.230 -15.161 -48.559 1.00 28.31 ? 1021 HOH A O 1 HETATM 9309 O O . HOH KA 7 . ? -14.165 -49.221 -39.877 1.00 34.06 ? 1022 HOH A O 1 HETATM 9310 O O . HOH KA 7 . ? 7.991 -10.159 -38.205 1.00 49.03 ? 1023 HOH A O 1 HETATM 9311 O O . HOH KA 7 . ? -7.787 -23.987 -60.749 1.00 29.67 ? 1024 HOH A O 1 HETATM 9312 O O . HOH KA 7 . ? -26.819 -5.417 -46.274 1.00 24.88 ? 1025 HOH A O 1 HETATM 9313 O O . HOH KA 7 . ? -13.498 -44.690 -56.658 1.00 36.42 ? 1026 HOH A O 1 HETATM 9314 O O . HOH KA 7 . ? 8.410 -13.619 -44.790 1.00 34.90 ? 1027 HOH A O 1 HETATM 9315 O O . HOH KA 7 . ? 0.814 -30.884 -58.943 1.00 35.54 ? 1028 HOH A O 1 HETATM 9316 O O . HOH KA 7 . ? 6.312 -7.193 -35.725 1.00 49.37 ? 1029 HOH A O 1 HETATM 9317 O O . HOH KA 7 . ? 1.500 -36.013 -42.925 1.00 23.58 ? 1030 HOH A O 1 HETATM 9318 O O . HOH KA 7 . ? -42.196 -54.483 -73.014 1.00 48.06 ? 1031 HOH A O 1 HETATM 9319 O O . HOH KA 7 . ? -5.160 -9.182 -41.547 1.00 38.81 ? 1032 HOH A O 1 HETATM 9320 O O . HOH KA 7 . ? -23.909 -38.731 -68.006 1.00 46.68 ? 1033 HOH A O 1 HETATM 9321 O O . HOH KA 7 . ? 14.773 -18.906 -45.191 1.00 36.36 ? 1034 HOH A O 1 HETATM 9322 O O . HOH KA 7 . ? 5.057 -8.638 -33.180 1.00 21.45 ? 1035 HOH A O 1 HETATM 9323 O O . HOH KA 7 . ? 5.172 -13.643 -21.132 1.00 35.33 ? 1036 HOH A O 1 HETATM 9324 O O . HOH KA 7 . ? -29.059 -6.945 -49.605 1.00 30.68 ? 1037 HOH A O 1 HETATM 9325 O O . HOH KA 7 . ? -4.003 -28.743 -60.241 1.00 48.49 ? 1038 HOH A O 1 HETATM 9326 O O . HOH KA 7 . ? 4.844 -14.755 -18.485 1.00 42.58 ? 1039 HOH A O 1 HETATM 9327 O O . HOH KA 7 . ? -28.706 -31.041 -45.278 1.00 41.48 ? 1040 HOH A O 1 HETATM 9328 O O . HOH KA 7 . ? -10.943 -46.910 -41.698 1.00 41.72 ? 1041 HOH A O 1 HETATM 9329 O O . HOH KA 7 . ? -5.498 -48.527 -38.439 1.00 34.43 ? 1042 HOH A O 1 HETATM 9330 O O . HOH KA 7 . ? 16.521 25.390 -22.061 1.00 53.92 ? 1043 HOH A O 1 HETATM 9331 O O . HOH KA 7 . ? -12.627 6.484 -19.720 1.00 40.54 ? 1044 HOH A O 1 HETATM 9332 O O . HOH KA 7 . ? 6.959 -30.473 -27.857 1.00 50.10 ? 1045 HOH A O 1 HETATM 9333 O O . HOH KA 7 . ? -15.765 4.255 -27.696 1.00 54.61 ? 1046 HOH A O 1 HETATM 9334 O O . HOH KA 7 . ? -16.721 -30.920 -31.419 1.00 25.78 ? 1047 HOH A O 1 HETATM 9335 O O . HOH KA 7 . ? -13.343 -55.313 -42.925 1.00 43.33 ? 1048 HOH A O 1 HETATM 9336 O O . HOH KA 7 . ? -4.569 13.440 -19.217 1.00 29.87 ? 1049 HOH A O 1 HETATM 9337 O O . HOH KA 7 . ? 9.923 -13.576 -41.962 1.00 28.86 ? 1050 HOH A O 1 HETATM 9338 O O . HOH KA 7 . ? -26.471 -50.654 -38.071 1.00 34.90 ? 1051 HOH A O 1 HETATM 9339 O O . HOH KA 7 . ? 10.892 -17.417 -40.178 1.00 28.22 ? 1052 HOH A O 1 HETATM 9340 O O . HOH KA 7 . ? 4.102 -19.173 -23.076 1.00 33.66 ? 1053 HOH A O 1 HETATM 9341 O O . HOH KA 7 . ? -25.283 -5.108 -44.773 1.00 21.79 ? 1054 HOH A O 1 HETATM 9342 O O . HOH KA 7 . ? 3.888 -31.834 -56.519 1.00 24.97 ? 1055 HOH A O 1 HETATM 9343 O O . HOH KA 7 . ? 16.386 -13.830 -30.387 1.00 64.37 ? 1056 HOH A O 1 HETATM 9344 O O . HOH KA 7 . ? 0.522 -19.897 -23.108 1.00 44.46 ? 1057 HOH A O 1 HETATM 9345 O O . HOH KA 7 . ? 6.498 -29.767 -26.088 1.00 50.10 ? 1058 HOH A O 1 HETATM 9346 O O . HOH KA 7 . ? -10.324 -8.069 -42.241 1.00 44.58 ? 1059 HOH A O 1 HETATM 9347 O O . HOH KA 7 . ? 16.350 23.651 -22.710 1.00 57.88 ? 1060 HOH A O 1 HETATM 9348 O O . HOH KA 7 . ? -2.683 -35.652 -29.828 1.00 39.87 ? 1061 HOH A O 1 HETATM 9349 O O . HOH KA 7 . ? -1.269 -34.449 -29.911 1.00 49.38 ? 1062 HOH A O 1 HETATM 9350 O O . HOH KA 7 . ? 7.257 -33.331 -28.977 1.00 56.20 ? 1063 HOH A O 1 HETATM 9351 O O . HOH KA 7 . ? 5.493 -17.535 -21.656 1.00 51.13 ? 1064 HOH A O 1 HETATM 9352 O O . HOH LA 7 . ? 11.201 22.713 9.343 1.00 26.13 ? 801 HOH B O 1 HETATM 9353 O O . HOH LA 7 . ? 18.901 6.344 5.149 1.00 15.72 ? 802 HOH B O 1 HETATM 9354 O O . HOH LA 7 . ? 17.249 8.504 5.941 1.00 37.28 ? 803 HOH B O 1 HETATM 9355 O O . HOH LA 7 . ? -8.190 -20.920 -22.945 1.00 24.98 ? 804 HOH B O 1 HETATM 9356 O O . HOH LA 7 . ? 25.498 30.521 5.630 1.00 52.17 ? 805 HOH B O 1 HETATM 9357 O O . HOH LA 7 . ? 17.224 12.208 -14.103 1.00 62.91 ? 806 HOH B O 1 HETATM 9358 O O . HOH LA 7 . ? -20.469 -9.728 -28.340 1.00 40.20 ? 807 HOH B O 1 HETATM 9359 O O . HOH LA 7 . ? 21.723 9.178 -8.913 1.00 53.70 ? 808 HOH B O 1 HETATM 9360 O O . HOH LA 7 . ? 4.929 -9.066 -13.368 1.00 29.93 ? 809 HOH B O 1 HETATM 9361 O O . HOH LA 7 . ? 17.351 1.695 -10.175 1.00 42.57 ? 810 HOH B O 1 HETATM 9362 O O . HOH LA 7 . ? -9.067 -10.137 -22.831 1.00 26.48 ? 811 HOH B O 1 HETATM 9363 O O . HOH LA 7 . ? 20.265 15.150 11.321 1.00 32.94 ? 812 HOH B O 1 HETATM 9364 O O . HOH LA 7 . ? -20.634 -12.067 -30.821 1.00 37.22 ? 813 HOH B O 1 HETATM 9365 O O . HOH LA 7 . ? 12.544 12.676 -11.249 1.00 52.05 ? 814 HOH B O 1 HETATM 9366 O O . HOH LA 7 . ? -8.834 -5.561 -26.146 1.00 18.20 ? 815 HOH B O 1 HETATM 9367 O O . HOH LA 7 . ? -1.438 -17.474 -22.487 1.00 22.43 ? 816 HOH B O 1 HETATM 9368 O O . HOH LA 7 . ? 24.065 29.463 4.277 1.00 35.92 ? 817 HOH B O 1 HETATM 9369 O O . HOH LA 7 . ? 10.901 24.994 4.032 1.00 27.12 ? 818 HOH B O 1 HETATM 9370 O O . HOH LA 7 . ? -13.540 -13.913 -21.655 1.00 25.33 ? 819 HOH B O 1 HETATM 9371 O O . HOH LA 7 . ? -14.920 -9.137 -26.728 1.00 22.51 ? 820 HOH B O 1 HETATM 9372 O O . HOH LA 7 . ? -18.259 -1.548 -18.759 1.00 15.47 ? 821 HOH B O 1 HETATM 9373 O O . HOH LA 7 . ? -2.245 8.934 -6.181 1.00 25.05 ? 822 HOH B O 1 HETATM 9374 O O . HOH LA 7 . ? -16.427 -0.404 -17.457 1.00 23.95 ? 823 HOH B O 1 HETATM 9375 O O . HOH LA 7 . ? 9.516 1.066 -7.515 1.00 35.38 ? 824 HOH B O 1 HETATM 9376 O O . HOH LA 7 . ? -2.176 -14.597 -17.331 1.00 23.54 ? 825 HOH B O 1 HETATM 9377 O O . HOH LA 7 . ? -1.037 -5.708 -14.604 1.00 27.08 ? 826 HOH B O 1 HETATM 9378 O O . HOH LA 7 . ? 13.395 -0.316 -7.003 1.00 31.25 ? 827 HOH B O 1 HETATM 9379 O O . HOH LA 7 . ? 6.436 35.314 -3.808 1.00 57.60 ? 828 HOH B O 1 HETATM 9380 O O . HOH LA 7 . ? -12.700 1.045 -19.118 1.00 24.35 ? 829 HOH B O 1 HETATM 9381 O O . HOH LA 7 . ? -16.064 -17.315 -26.268 1.00 31.25 ? 830 HOH B O 1 HETATM 9382 O O . HOH LA 7 . ? -8.861 -6.927 -15.291 1.00 22.25 ? 831 HOH B O 1 HETATM 9383 O O . HOH LA 7 . ? -6.622 4.474 -11.172 1.00 32.53 ? 832 HOH B O 1 HETATM 9384 O O . HOH LA 7 . ? -21.084 -5.073 -26.559 1.00 35.01 ? 833 HOH B O 1 HETATM 9385 O O . HOH LA 7 . ? -20.107 -5.691 -30.465 1.00 45.71 ? 834 HOH B O 1 HETATM 9386 O O . HOH LA 7 . ? -14.399 -10.585 -16.764 1.00 39.03 ? 835 HOH B O 1 HETATM 9387 O O . HOH LA 7 . ? -9.342 -13.030 -19.087 1.00 33.35 ? 836 HOH B O 1 HETATM 9388 O O . HOH LA 7 . ? 4.914 3.883 -0.205 1.00 35.04 ? 837 HOH B O 1 HETATM 9389 O O . HOH LA 7 . ? 18.617 15.326 9.754 1.00 29.10 ? 838 HOH B O 1 HETATM 9390 O O . HOH LA 7 . ? -8.031 -16.985 -17.737 1.00 34.66 ? 839 HOH B O 1 HETATM 9391 O O . HOH LA 7 . ? 20.828 19.373 -7.899 1.00 50.08 ? 840 HOH B O 1 HETATM 9392 O O . HOH LA 7 . ? 17.374 15.147 -10.800 1.00 48.10 ? 841 HOH B O 1 HETATM 9393 O O . HOH LA 7 . ? -13.631 3.564 -11.618 1.00 30.60 ? 842 HOH B O 1 HETATM 9394 O O . HOH LA 7 . ? -14.693 -2.826 -13.148 1.00 30.31 ? 843 HOH B O 1 HETATM 9395 O O . HOH LA 7 . ? -3.854 7.168 -7.865 1.00 39.95 ? 844 HOH B O 1 HETATM 9396 O O . HOH LA 7 . ? 5.820 -11.338 -18.386 1.00 32.98 ? 845 HOH B O 1 HETATM 9397 O O . HOH LA 7 . ? 7.844 -6.079 -17.862 1.00 37.28 ? 846 HOH B O 1 HETATM 9398 O O . HOH LA 7 . ? -2.310 10.298 -12.189 1.00 28.39 ? 847 HOH B O 1 HETATM 9399 O O . HOH LA 7 . ? -5.149 -8.478 -17.795 1.00 17.91 ? 848 HOH B O 1 HETATM 9400 O O . HOH LA 7 . ? -9.574 -2.809 -9.009 1.00 37.83 ? 849 HOH B O 1 HETATM 9401 O O . HOH LA 7 . ? -20.165 -7.088 -22.843 1.00 38.93 ? 850 HOH B O 1 HETATM 9402 O O . HOH LA 7 . ? 17.025 5.853 7.540 1.00 34.75 ? 851 HOH B O 1 HETATM 9403 O O . HOH LA 7 . ? -15.300 -12.054 -22.517 1.00 45.12 ? 852 HOH B O 1 HETATM 9404 O O . HOH LA 7 . ? -15.819 3.951 -24.187 1.00 40.81 ? 853 HOH B O 1 HETATM 9405 O O . HOH LA 7 . ? -8.689 -9.864 -19.231 1.00 20.22 ? 854 HOH B O 1 HETATM 9406 O O . HOH LA 7 . ? 19.142 4.316 5.844 1.00 31.01 ? 855 HOH B O 1 HETATM 9407 O O . HOH LA 7 . ? 22.095 -4.949 -5.433 1.00 45.12 ? 856 HOH B O 1 HETATM 9408 O O . HOH LA 7 . ? 21.008 -5.863 -7.445 1.00 38.45 ? 857 HOH B O 1 HETATM 9409 O O . HOH LA 7 . ? -11.332 -8.241 -14.009 1.00 32.56 ? 858 HOH B O 1 HETATM 9410 O O . HOH MA 7 . ? -10.933 31.910 -31.712 1.00 30.36 ? 801 HOH C O 1 HETATM 9411 O O . HOH MA 7 . ? -27.915 12.027 -29.212 1.00 43.10 ? 802 HOH C O 1 HETATM 9412 O O . HOH MA 7 . ? -21.791 8.610 -22.389 1.00 46.74 ? 803 HOH C O 1 HETATM 9413 O O . HOH MA 7 . ? -40.764 50.189 -22.059 1.00 37.67 ? 804 HOH C O 1 HETATM 9414 O O . HOH MA 7 . ? -22.880 30.109 -40.435 1.00 36.50 ? 805 HOH C O 1 HETATM 9415 O O . HOH MA 7 . ? -37.320 50.921 -20.209 1.00 37.84 ? 806 HOH C O 1 HETATM 9416 O O . HOH MA 7 . ? 2.205 -15.468 -84.854 1.00 13.69 ? 807 HOH C O 1 HETATM 9417 O O . HOH MA 7 . ? -36.786 42.035 -32.533 1.00 35.09 ? 808 HOH C O 1 HETATM 9418 O O . HOH MA 7 . ? -29.425 17.187 -34.758 1.00 39.22 ? 809 HOH C O 1 HETATM 9419 O O . HOH MA 7 . ? 16.300 -20.671 -60.237 1.00 52.74 ? 810 HOH C O 1 HETATM 9420 O O . HOH MA 7 . ? -22.714 26.952 -40.003 1.00 45.50 ? 811 HOH C O 1 HETATM 9421 O O . HOH MA 7 . ? -12.965 51.408 -43.288 1.00 35.41 ? 812 HOH C O 1 HETATM 9422 O O . HOH MA 7 . ? -6.159 31.726 -21.549 1.00 43.90 ? 813 HOH C O 1 HETATM 9423 O O . HOH MA 7 . ? -14.864 0.553 -54.816 1.00 36.94 ? 814 HOH C O 1 HETATM 9424 O O . HOH MA 7 . ? -17.497 57.412 -40.463 1.00 41.98 ? 815 HOH C O 1 HETATM 9425 O O . HOH MA 7 . ? -36.559 40.226 -22.376 1.00 44.25 ? 816 HOH C O 1 HETATM 9426 O O . HOH MA 7 . ? 1.202 -13.453 -66.606 1.00 26.76 ? 817 HOH C O 1 HETATM 9427 O O . HOH MA 7 . ? -19.847 31.899 -47.673 1.00 37.22 ? 818 HOH C O 1 HETATM 9428 O O . HOH MA 7 . ? -21.070 8.282 -34.474 1.00 54.07 ? 819 HOH C O 1 HETATM 9429 O O . HOH MA 7 . ? -34.991 53.296 -43.115 1.00 28.07 ? 820 HOH C O 1 HETATM 9430 O O . HOH MA 7 . ? -13.609 3.467 -48.336 1.00 46.48 ? 821 HOH C O 1 HETATM 9431 O O . HOH MA 7 . ? -17.673 27.786 -24.235 1.00 35.88 ? 822 HOH C O 1 HETATM 9432 O O . HOH MA 7 . ? 1.821 15.050 -25.050 1.00 28.51 ? 823 HOH C O 1 HETATM 9433 O O . HOH MA 7 . ? -40.182 33.814 -18.275 1.00 39.88 ? 824 HOH C O 1 HETATM 9434 O O . HOH MA 7 . ? -11.651 28.023 -34.819 1.00 28.77 ? 825 HOH C O 1 HETATM 9435 O O . HOH MA 7 . ? -31.765 46.613 -24.988 1.00 26.79 ? 826 HOH C O 1 HETATM 9436 O O . HOH MA 7 . ? -38.832 39.873 -30.790 1.00 49.95 ? 827 HOH C O 1 HETATM 9437 O O . HOH MA 7 . ? -12.511 22.773 -30.663 1.00 21.45 ? 828 HOH C O 1 HETATM 9438 O O . HOH MA 7 . ? -10.310 51.305 -45.993 1.00 26.85 ? 829 HOH C O 1 HETATM 9439 O O . HOH MA 7 . ? -16.010 16.585 -28.939 1.00 23.99 ? 830 HOH C O 1 HETATM 9440 O O . HOH MA 7 . ? -5.081 4.616 -49.681 1.00 22.96 ? 831 HOH C O 1 HETATM 9441 O O . HOH MA 7 . ? -7.766 -7.935 -54.721 1.00 37.79 ? 832 HOH C O 1 HETATM 9442 O O . HOH MA 7 . ? -22.967 12.584 -29.152 1.00 41.05 ? 833 HOH C O 1 HETATM 9443 O O . HOH MA 7 . ? -17.234 35.850 -47.636 1.00 31.91 ? 834 HOH C O 1 HETATM 9444 O O . HOH MA 7 . ? -0.049 11.832 -46.750 1.00 23.52 ? 835 HOH C O 1 HETATM 9445 O O . HOH MA 7 . ? -5.197 7.342 -42.521 1.00 32.96 ? 836 HOH C O 1 HETATM 9446 O O . HOH MA 7 . ? -33.755 58.167 -24.450 1.00 46.38 ? 837 HOH C O 1 HETATM 9447 O O . HOH MA 7 . ? 4.219 28.784 -28.710 1.00 27.55 ? 838 HOH C O 1 HETATM 9448 O O . HOH MA 7 . ? -13.581 19.966 -29.600 1.00 22.63 ? 839 HOH C O 1 HETATM 9449 O O . HOH MA 7 . ? -0.634 37.898 -24.661 1.00 19.27 ? 840 HOH C O 1 HETATM 9450 O O . HOH MA 7 . ? -11.430 12.378 -54.191 1.00 21.74 ? 841 HOH C O 1 HETATM 9451 O O . HOH MA 7 . ? -2.632 27.998 -31.588 1.00 19.97 ? 842 HOH C O 1 HETATM 9452 O O . HOH MA 7 . ? -15.071 2.933 -56.889 1.00 42.72 ? 843 HOH C O 1 HETATM 9453 O O . HOH MA 7 . ? -13.578 39.379 -18.643 1.00 21.50 ? 844 HOH C O 1 HETATM 9454 O O . HOH MA 7 . ? 3.485 15.151 -53.882 1.00 24.52 ? 845 HOH C O 1 HETATM 9455 O O . HOH MA 7 . ? -0.006 13.785 -39.009 1.00 53.00 ? 846 HOH C O 1 HETATM 9456 O O . HOH MA 7 . ? -25.604 19.994 -23.335 1.00 38.42 ? 847 HOH C O 1 HETATM 9457 O O . HOH MA 7 . ? -7.837 24.793 -45.965 1.00 23.07 ? 848 HOH C O 1 HETATM 9458 O O . HOH MA 7 . ? 3.594 32.754 -34.606 1.00 17.82 ? 849 HOH C O 1 HETATM 9459 O O . HOH MA 7 . ? -22.837 34.464 -31.524 1.00 24.08 ? 850 HOH C O 1 HETATM 9460 O O . HOH MA 7 . ? -25.985 22.982 -29.768 1.00 30.14 ? 851 HOH C O 1 HETATM 9461 O O . HOH MA 7 . ? -9.356 39.657 -51.261 1.00 33.68 ? 852 HOH C O 1 HETATM 9462 O O . HOH MA 7 . ? -12.176 24.509 -25.135 1.00 19.66 ? 853 HOH C O 1 HETATM 9463 O O . HOH MA 7 . ? -15.314 40.262 -16.931 1.00 34.32 ? 854 HOH C O 1 HETATM 9464 O O . HOH MA 7 . ? -17.614 53.449 -41.547 1.00 21.75 ? 855 HOH C O 1 HETATM 9465 O O . HOH MA 7 . ? -11.431 -5.610 -55.474 1.00 38.77 ? 856 HOH C O 1 HETATM 9466 O O . HOH MA 7 . ? -18.074 39.503 -34.934 1.00 16.47 ? 857 HOH C O 1 HETATM 9467 O O . HOH MA 7 . ? -24.421 33.981 -23.972 1.00 41.60 ? 858 HOH C O 1 HETATM 9468 O O . HOH MA 7 . ? -11.556 29.968 -47.426 1.00 25.43 ? 859 HOH C O 1 HETATM 9469 O O . HOH MA 7 . ? -30.904 39.176 -32.521 1.00 34.37 ? 860 HOH C O 1 HETATM 9470 O O . HOH MA 7 . ? -8.787 32.720 -20.880 1.00 31.56 ? 861 HOH C O 1 HETATM 9471 O O . HOH MA 7 . ? -14.421 24.653 -28.849 1.00 19.93 ? 862 HOH C O 1 HETATM 9472 O O . HOH MA 7 . ? 6.684 16.572 -47.193 1.00 38.53 ? 863 HOH C O 1 HETATM 9473 O O . HOH MA 7 . ? -15.542 49.398 -27.701 1.00 25.87 ? 864 HOH C O 1 HETATM 9474 O O . HOH MA 7 . ? -5.554 26.321 -29.340 1.00 17.55 ? 865 HOH C O 1 HETATM 9475 O O . HOH MA 7 . ? -7.736 30.326 -28.188 1.00 16.77 ? 866 HOH C O 1 HETATM 9476 O O . HOH MA 7 . ? -11.438 41.427 -14.863 1.00 37.81 ? 867 HOH C O 1 HETATM 9477 O O . HOH MA 7 . ? 10.974 32.605 -31.498 1.00 41.90 ? 868 HOH C O 1 HETATM 9478 O O . HOH MA 7 . ? -10.794 25.627 -33.014 1.00 14.37 ? 869 HOH C O 1 HETATM 9479 O O . HOH MA 7 . ? 0.470 33.192 -43.454 1.00 32.84 ? 870 HOH C O 1 HETATM 9480 O O . HOH MA 7 . ? -20.759 42.545 -33.187 1.00 29.43 ? 871 HOH C O 1 HETATM 9481 O O . HOH MA 7 . ? -12.146 26.071 -28.640 1.00 17.71 ? 872 HOH C O 1 HETATM 9482 O O . HOH MA 7 . ? -43.193 34.373 -27.854 1.00 41.31 ? 873 HOH C O 1 HETATM 9483 O O . HOH MA 7 . ? -8.663 15.205 -27.058 1.00 32.70 ? 874 HOH C O 1 HETATM 9484 O O . HOH MA 7 . ? -31.654 55.525 -35.239 1.00 49.47 ? 875 HOH C O 1 HETATM 9485 O O . HOH MA 7 . ? -4.858 16.219 -20.039 1.00 21.99 ? 876 HOH C O 1 HETATM 9486 O O . HOH MA 7 . ? -29.879 56.618 -27.328 1.00 29.70 ? 877 HOH C O 1 HETATM 9487 O O . HOH MA 7 . ? -11.054 35.156 -17.489 1.00 26.25 ? 878 HOH C O 1 HETATM 9488 O O . HOH MA 7 . ? -16.118 39.851 -54.518 1.00 24.82 ? 879 HOH C O 1 HETATM 9489 O O . HOH MA 7 . ? -22.684 20.048 -35.321 1.00 22.62 ? 880 HOH C O 1 HETATM 9490 O O . HOH MA 7 . ? 0.292 10.639 -49.292 1.00 24.40 ? 881 HOH C O 1 HETATM 9491 O O . HOH MA 7 . ? -10.485 14.435 -28.770 1.00 30.85 ? 882 HOH C O 1 HETATM 9492 O O . HOH MA 7 . ? 3.654 34.730 -37.005 1.00 24.14 ? 883 HOH C O 1 HETATM 9493 O O . HOH MA 7 . ? -7.129 12.441 -35.907 1.00 28.99 ? 884 HOH C O 1 HETATM 9494 O O . HOH MA 7 . ? 2.212 21.080 -49.647 1.00 17.97 ? 885 HOH C O 1 HETATM 9495 O O . HOH MA 7 . ? -25.445 26.877 -33.902 1.00 30.19 ? 886 HOH C O 1 HETATM 9496 O O . HOH MA 7 . ? -20.223 24.284 -21.810 1.00 32.47 ? 887 HOH C O 1 HETATM 9497 O O . HOH MA 7 . ? -7.345 14.253 -40.642 1.00 27.83 ? 888 HOH C O 1 HETATM 9498 O O . HOH MA 7 . ? -10.552 -2.493 -52.227 1.00 39.89 ? 889 HOH C O 1 HETATM 9499 O O . HOH MA 7 . ? 5.221 36.131 -40.418 1.00 19.78 ? 890 HOH C O 1 HETATM 9500 O O . HOH MA 7 . ? -24.963 20.418 -33.635 1.00 29.14 ? 891 HOH C O 1 HETATM 9501 O O . HOH MA 7 . ? 2.734 15.793 -47.850 1.00 31.51 ? 892 HOH C O 1 HETATM 9502 O O . HOH MA 7 . ? -10.590 42.790 -24.068 1.00 18.58 ? 893 HOH C O 1 HETATM 9503 O O . HOH MA 7 . ? -39.059 53.136 -19.155 1.00 36.78 ? 894 HOH C O 1 HETATM 9504 O O . HOH MA 7 . ? 2.901 21.967 -52.227 1.00 42.51 ? 895 HOH C O 1 HETATM 9505 O O . HOH MA 7 . ? -6.723 21.417 -28.426 1.00 20.72 ? 896 HOH C O 1 HETATM 9506 O O . HOH MA 7 . ? -10.237 19.800 -20.853 1.00 27.58 ? 897 HOH C O 1 HETATM 9507 O O . HOH MA 7 . ? -17.887 51.705 -39.352 1.00 22.31 ? 898 HOH C O 1 HETATM 9508 O O . HOH MA 7 . ? -8.422 16.101 -42.023 1.00 27.65 ? 899 HOH C O 1 HETATM 9509 O O . HOH MA 7 . ? 6.756 19.541 -41.583 1.00 35.08 ? 900 HOH C O 1 HETATM 9510 O O . HOH MA 7 . ? -10.823 29.112 -21.231 1.00 19.33 ? 901 HOH C O 1 HETATM 9511 O O . HOH MA 7 . ? -20.347 42.001 -29.826 1.00 25.87 ? 902 HOH C O 1 HETATM 9512 O O . HOH MA 7 . ? -3.797 28.062 -51.552 1.00 26.33 ? 903 HOH C O 1 HETATM 9513 O O . HOH MA 7 . ? -8.011 38.010 -28.518 1.00 20.83 ? 904 HOH C O 1 HETATM 9514 O O . HOH MA 7 . ? -16.800 39.928 -12.707 1.00 35.11 ? 905 HOH C O 1 HETATM 9515 O O . HOH MA 7 . ? -3.477 43.132 -31.974 1.00 24.88 ? 906 HOH C O 1 HETATM 9516 O O . HOH MA 7 . ? -25.936 33.224 -44.586 1.00 46.53 ? 907 HOH C O 1 HETATM 9517 O O . HOH MA 7 . ? 10.256 33.338 -28.292 1.00 29.62 ? 908 HOH C O 1 HETATM 9518 O O . HOH MA 7 . ? -14.193 16.858 -27.201 1.00 30.66 ? 909 HOH C O 1 HETATM 9519 O O . HOH MA 7 . ? -1.680 -0.110 -53.030 1.00 31.76 ? 910 HOH C O 1 HETATM 9520 O O . HOH MA 7 . ? -17.225 49.330 -22.986 1.00 35.56 ? 911 HOH C O 1 HETATM 9521 O O . HOH MA 7 . ? -20.976 50.869 -45.579 1.00 41.26 ? 912 HOH C O 1 HETATM 9522 O O . HOH MA 7 . ? -7.118 36.414 -22.648 1.00 25.78 ? 913 HOH C O 1 HETATM 9523 O O . HOH MA 7 . ? -17.953 41.396 -33.089 1.00 14.56 ? 914 HOH C O 1 HETATM 9524 O O . HOH MA 7 . ? -7.009 18.729 -28.143 1.00 30.22 ? 915 HOH C O 1 HETATM 9525 O O . HOH MA 7 . ? -23.397 54.892 -37.728 1.00 35.32 ? 916 HOH C O 1 HETATM 9526 O O . HOH MA 7 . ? 9.169 19.370 -53.652 1.00 52.03 ? 917 HOH C O 1 HETATM 9527 O O . HOH MA 7 . ? 3.938 21.631 -38.431 1.00 25.64 ? 918 HOH C O 1 HETATM 9528 O O . HOH MA 7 . ? -3.028 39.775 -37.107 1.00 18.67 ? 919 HOH C O 1 HETATM 9529 O O . HOH MA 7 . ? -25.470 11.792 -33.504 1.00 37.14 ? 920 HOH C O 1 HETATM 9530 O O . HOH MA 7 . ? -9.335 7.447 -47.160 1.00 26.90 ? 921 HOH C O 1 HETATM 9531 O O . HOH MA 7 . ? -10.767 41.011 -47.413 1.00 31.25 ? 922 HOH C O 1 HETATM 9532 O O . HOH MA 7 . ? -1.778 37.900 -44.844 1.00 35.69 ? 923 HOH C O 1 HETATM 9533 O O . HOH MA 7 . ? -13.295 31.605 -28.013 1.00 26.15 ? 924 HOH C O 1 HETATM 9534 O O . HOH MA 7 . ? -16.828 37.989 -15.560 1.00 29.17 ? 925 HOH C O 1 HETATM 9535 O O . HOH MA 7 . ? 3.749 20.498 -36.092 1.00 31.27 ? 926 HOH C O 1 HETATM 9536 O O . HOH MA 7 . ? 8.571 29.711 -43.185 1.00 33.62 ? 927 HOH C O 1 HETATM 9537 O O . HOH MA 7 . ? -9.312 12.542 -40.275 1.00 27.17 ? 928 HOH C O 1 HETATM 9538 O O . HOH MA 7 . ? 2.029 22.341 -15.454 1.00 63.50 ? 929 HOH C O 1 HETATM 9539 O O . HOH MA 7 . ? -26.534 35.087 -40.871 1.00 27.89 ? 930 HOH C O 1 HETATM 9540 O O . HOH MA 7 . ? -29.086 22.419 -25.282 1.00 38.30 ? 931 HOH C O 1 HETATM 9541 O O . HOH MA 7 . ? -2.906 40.722 -45.572 1.00 25.44 ? 932 HOH C O 1 HETATM 9542 O O . HOH MA 7 . ? -3.653 35.361 -50.448 1.00 45.58 ? 933 HOH C O 1 HETATM 9543 O O . HOH MA 7 . ? -25.729 18.957 -31.491 1.00 30.77 ? 934 HOH C O 1 HETATM 9544 O O . HOH MA 7 . ? -1.534 39.497 -41.874 1.00 33.17 ? 935 HOH C O 1 HETATM 9545 O O . HOH MA 7 . ? -3.972 47.009 -38.587 1.00 36.02 ? 936 HOH C O 1 HETATM 9546 O O . HOH MA 7 . ? -4.520 26.345 -55.674 1.00 40.13 ? 937 HOH C O 1 HETATM 9547 O O . HOH MA 7 . ? -20.378 27.335 -45.752 1.00 37.33 ? 938 HOH C O 1 HETATM 9548 O O . HOH MA 7 . ? -35.174 38.878 -15.077 1.00 35.99 ? 939 HOH C O 1 HETATM 9549 O O . HOH MA 7 . ? 5.119 34.405 -23.418 1.00 51.91 ? 940 HOH C O 1 HETATM 9550 O O . HOH MA 7 . ? -0.424 13.681 -26.625 1.00 32.10 ? 941 HOH C O 1 HETATM 9551 O O . HOH MA 7 . ? -17.963 19.169 -24.644 1.00 26.48 ? 942 HOH C O 1 HETATM 9552 O O . HOH MA 7 . ? -18.709 13.057 -28.238 1.00 37.35 ? 943 HOH C O 1 HETATM 9553 O O . HOH MA 7 . ? -22.897 43.359 -30.608 1.00 22.98 ? 944 HOH C O 1 HETATM 9554 O O . HOH MA 7 . ? -15.446 50.497 -39.171 1.00 16.55 ? 945 HOH C O 1 HETATM 9555 O O . HOH MA 7 . ? -7.857 44.480 -31.074 1.00 35.92 ? 946 HOH C O 1 HETATM 9556 O O . HOH MA 7 . ? -7.481 5.246 -48.237 1.00 35.17 ? 947 HOH C O 1 HETATM 9557 O O . HOH MA 7 . ? -25.465 44.263 -29.792 1.00 34.35 ? 948 HOH C O 1 HETATM 9558 O O . HOH MA 7 . ? 6.287 20.549 -39.725 1.00 23.48 ? 949 HOH C O 1 HETATM 9559 O O . HOH MA 7 . ? -13.351 1.328 -60.527 1.00 54.40 ? 950 HOH C O 1 HETATM 9560 O O . HOH MA 7 . ? -18.620 22.233 -22.149 1.00 28.06 ? 951 HOH C O 1 HETATM 9561 O O . HOH MA 7 . ? 4.502 16.987 -24.552 1.00 27.66 ? 952 HOH C O 1 HETATM 9562 O O . HOH MA 7 . ? -13.603 19.642 -20.258 1.00 21.52 ? 953 HOH C O 1 HETATM 9563 O O . HOH MA 7 . ? -34.334 59.986 -12.341 1.00 51.60 ? 954 HOH C O 1 HETATM 9564 O O . HOH MA 7 . ? -28.801 27.805 -24.430 1.00 38.46 ? 955 HOH C O 1 HETATM 9565 O O . HOH MA 7 . ? -10.360 39.303 -16.561 1.00 34.80 ? 956 HOH C O 1 HETATM 9566 O O . HOH MA 7 . ? -2.666 -8.476 -80.626 1.00 38.49 ? 957 HOH C O 1 HETATM 9567 O O . HOH MA 7 . ? 8.269 22.127 -30.490 1.00 39.65 ? 958 HOH C O 1 HETATM 9568 O O . HOH MA 7 . ? -42.877 41.910 -14.252 1.00 53.36 ? 959 HOH C O 1 HETATM 9569 O O . HOH MA 7 . ? -6.260 45.762 -28.643 1.00 43.18 ? 960 HOH C O 1 HETATM 9570 O O . HOH MA 7 . ? 4.473 4.934 -48.181 1.00 38.96 ? 961 HOH C O 1 HETATM 9571 O O . HOH MA 7 . ? -18.179 55.810 -33.554 1.00 24.02 ? 962 HOH C O 1 HETATM 9572 O O . HOH MA 7 . ? -21.691 9.802 -29.456 1.00 40.90 ? 963 HOH C O 1 HETATM 9573 O O . HOH MA 7 . ? -8.876 24.891 -12.841 1.00 45.37 ? 964 HOH C O 1 HETATM 9574 O O . HOH MA 7 . ? 1.615 36.054 -35.142 1.00 21.69 ? 965 HOH C O 1 HETATM 9575 O O . HOH MA 7 . ? -44.922 43.394 -18.094 1.00 44.01 ? 966 HOH C O 1 HETATM 9576 O O . HOH MA 7 . ? 6.002 15.737 -42.138 1.00 43.51 ? 967 HOH C O 1 HETATM 9577 O O . HOH MA 7 . ? -23.054 26.061 -44.037 1.00 36.32 ? 968 HOH C O 1 HETATM 9578 O O . HOH MA 7 . ? 11.233 25.363 -38.663 1.00 22.31 ? 969 HOH C O 1 HETATM 9579 O O . HOH MA 7 . ? -8.817 42.461 -49.112 1.00 33.50 ? 970 HOH C O 1 HETATM 9580 O O . HOH MA 7 . ? -20.455 57.605 -26.154 1.00 32.09 ? 971 HOH C O 1 HETATM 9581 O O . HOH MA 7 . ? -8.013 46.652 -31.065 1.00 46.14 ? 972 HOH C O 1 HETATM 9582 O O . HOH MA 7 . ? -20.512 50.608 -22.973 1.00 38.05 ? 973 HOH C O 1 HETATM 9583 O O . HOH MA 7 . ? -7.501 8.085 -42.863 1.00 25.55 ? 974 HOH C O 1 HETATM 9584 O O . HOH MA 7 . ? -11.001 11.493 -32.155 1.00 27.38 ? 975 HOH C O 1 HETATM 9585 O O . HOH MA 7 . ? -23.565 39.377 -52.043 1.00 41.37 ? 976 HOH C O 1 HETATM 9586 O O . HOH MA 7 . ? -42.402 43.002 -15.834 1.00 42.26 ? 977 HOH C O 1 HETATM 9587 O O . HOH MA 7 . ? -25.154 64.828 -20.403 1.00 50.57 ? 978 HOH C O 1 HETATM 9588 O O . HOH MA 7 . ? 1.772 30.098 -22.556 1.00 39.93 ? 979 HOH C O 1 HETATM 9589 O O . HOH MA 7 . ? 12.182 21.876 -23.328 1.00 42.83 ? 980 HOH C O 1 HETATM 9590 O O . HOH MA 7 . ? -2.634 29.235 -19.624 1.00 52.47 ? 981 HOH C O 1 HETATM 9591 O O . HOH MA 7 . ? -3.720 -7.257 -60.346 1.00 36.54 ? 982 HOH C O 1 HETATM 9592 O O . HOH MA 7 . ? 8.960 23.509 -43.563 1.00 33.40 ? 983 HOH C O 1 HETATM 9593 O O . HOH MA 7 . ? -27.150 20.254 -30.434 1.00 31.25 ? 984 HOH C O 1 HETATM 9594 O O . HOH MA 7 . ? -15.330 19.453 -24.662 1.00 35.28 ? 985 HOH C O 1 HETATM 9595 O O . HOH MA 7 . ? -6.449 42.450 -48.985 1.00 25.17 ? 986 HOH C O 1 HETATM 9596 O O . HOH MA 7 . ? -41.148 43.135 -12.558 1.00 32.96 ? 987 HOH C O 1 HETATM 9597 O O . HOH MA 7 . ? -45.894 45.811 -18.084 1.00 41.82 ? 988 HOH C O 1 HETATM 9598 O O . HOH MA 7 . ? -14.121 37.280 -14.578 1.00 30.45 ? 989 HOH C O 1 HETATM 9599 O O . HOH MA 7 . ? -19.656 55.790 -24.207 1.00 34.75 ? 990 HOH C O 1 HETATM 9600 O O . HOH MA 7 . ? -9.138 30.423 -19.332 1.00 22.48 ? 991 HOH C O 1 HETATM 9601 O O . HOH MA 7 . ? 10.342 30.450 -42.670 1.00 54.25 ? 992 HOH C O 1 HETATM 9602 O O . HOH MA 7 . ? -18.285 58.588 -38.341 1.00 45.98 ? 993 HOH C O 1 HETATM 9603 O O . HOH MA 7 . ? 2.314 13.104 -46.309 1.00 31.93 ? 994 HOH C O 1 HETATM 9604 O O . HOH MA 7 . ? -22.378 50.359 -48.160 1.00 33.64 ? 995 HOH C O 1 HETATM 9605 O O . HOH MA 7 . ? -6.180 24.534 -13.660 1.00 47.19 ? 996 HOH C O 1 HETATM 9606 O O . HOH MA 7 . ? 8.605 28.111 -44.747 1.00 43.27 ? 997 HOH C O 1 HETATM 9607 O O . HOH MA 7 . ? -5.528 47.230 -31.882 1.00 41.51 ? 998 HOH C O 1 HETATM 9608 O O . HOH MA 7 . ? -41.457 51.865 -23.546 1.00 42.24 ? 999 HOH C O 1 HETATM 9609 O O . HOH MA 7 . ? -0.424 41.692 -43.837 1.00 22.93 ? 1000 HOH C O 1 HETATM 9610 O O . HOH MA 7 . ? -12.553 37.467 -16.733 1.00 30.95 ? 1001 HOH C O 1 HETATM 9611 O O . HOH MA 7 . ? -18.484 57.115 -28.587 1.00 38.91 ? 1002 HOH C O 1 HETATM 9612 O O . HOH MA 7 . ? 9.653 23.114 -32.848 1.00 29.06 ? 1003 HOH C O 1 HETATM 9613 O O . HOH MA 7 . ? 5.163 13.768 -53.926 1.00 43.64 ? 1004 HOH C O 1 HETATM 9614 O O . HOH MA 7 . ? -5.205 10.701 -35.507 1.00 27.27 ? 1005 HOH C O 1 HETATM 9615 O O . HOH MA 7 . ? 7.695 32.056 -44.392 1.00 32.13 ? 1006 HOH C O 1 HETATM 9616 O O . HOH MA 7 . ? -1.584 0.094 -50.437 1.00 35.61 ? 1007 HOH C O 1 HETATM 9617 O O . HOH MA 7 . ? -22.009 30.491 -51.469 1.00 45.89 ? 1008 HOH C O 1 HETATM 9618 O O . HOH MA 7 . ? 8.334 22.692 -40.886 1.00 29.23 ? 1009 HOH C O 1 HETATM 9619 O O . HOH MA 7 . ? 10.566 23.668 -39.941 1.00 43.98 ? 1010 HOH C O 1 HETATM 9620 O O . HOH MA 7 . ? 2.334 37.467 -24.945 1.00 40.07 ? 1011 HOH C O 1 HETATM 9621 O O . HOH MA 7 . ? -1.968 42.899 -30.209 1.00 34.26 ? 1012 HOH C O 1 HETATM 9622 O O . HOH MA 7 . ? -13.881 51.884 -40.441 1.00 35.10 ? 1013 HOH C O 1 HETATM 9623 O O . HOH MA 7 . ? -14.160 18.642 -22.471 1.00 28.43 ? 1014 HOH C O 1 HETATM 9624 O O . HOH MA 7 . ? -3.438 41.661 -48.141 1.00 21.84 ? 1015 HOH C O 1 HETATM 9625 O O . HOH MA 7 . ? -15.932 57.359 -30.373 1.00 27.25 ? 1016 HOH C O 1 HETATM 9626 O O . HOH MA 7 . ? -2.677 44.128 -49.755 1.00 42.00 ? 1017 HOH C O 1 HETATM 9627 O O . HOH MA 7 . ? -6.379 39.648 -51.231 1.00 33.84 ? 1018 HOH C O 1 HETATM 9628 O O . HOH MA 7 . ? -1.127 31.397 -19.377 1.00 49.96 ? 1019 HOH C O 1 HETATM 9629 O O . HOH MA 7 . ? -2.511 39.489 -49.561 1.00 24.62 ? 1020 HOH C O 1 HETATM 9630 O O . HOH MA 7 . ? 15.307 24.669 -28.207 1.00 55.49 ? 1021 HOH C O 1 HETATM 9631 O O . HOH MA 7 . ? 16.394 26.688 -26.669 1.00 47.63 ? 1022 HOH C O 1 HETATM 9632 O O . HOH MA 7 . ? -22.029 27.580 -51.905 1.00 58.40 ? 1023 HOH C O 1 HETATM 9633 O O . HOH NA 7 . ? -9.872 14.792 -58.098 1.00 26.83 ? 801 HOH D O 1 HETATM 9634 O O . HOH NA 7 . ? -0.846 8.988 -69.452 1.00 47.60 ? 802 HOH D O 1 HETATM 9635 O O . HOH NA 7 . ? 17.180 7.507 -73.715 1.00 54.14 ? 803 HOH D O 1 HETATM 9636 O O . HOH NA 7 . ? -5.359 17.923 -61.943 1.00 42.78 ? 804 HOH D O 1 HETATM 9637 O O . HOH NA 7 . ? -18.141 12.805 -52.163 1.00 35.01 ? 805 HOH D O 1 HETATM 9638 O O . HOH NA 7 . ? -12.227 9.577 -52.491 1.00 18.99 ? 806 HOH D O 1 HETATM 9639 O O . HOH NA 7 . ? -7.993 -2.032 -73.857 1.00 38.30 ? 807 HOH D O 1 HETATM 9640 O O . HOH NA 7 . ? -2.138 -6.595 -68.970 1.00 35.53 ? 808 HOH D O 1 HETATM 9641 O O . HOH NA 7 . ? -8.533 12.372 -60.990 1.00 41.06 ? 809 HOH D O 1 HETATM 9642 O O . HOH NA 7 . ? -18.049 6.703 -65.653 1.00 40.75 ? 810 HOH D O 1 HETATM 9643 O O . HOH NA 7 . ? -12.194 10.304 -63.962 1.00 33.46 ? 811 HOH D O 1 HETATM 9644 O O . HOH NA 7 . ? 21.461 -24.792 -77.053 1.00 65.73 ? 812 HOH D O 1 HETATM 9645 O O . HOH NA 7 . ? -16.139 2.615 -59.366 1.00 43.69 ? 813 HOH D O 1 HETATM 9646 O O . HOH NA 7 . ? 21.076 -11.047 -70.361 1.00 60.41 ? 814 HOH D O 1 HETATM 9647 O O . HOH NA 7 . ? 8.740 -20.805 -82.558 1.00 39.85 ? 815 HOH D O 1 HETATM 9648 O O . HOH NA 7 . ? -24.371 17.528 -47.674 1.00 40.30 ? 816 HOH D O 1 HETATM 9649 O O . HOH NA 7 . ? 13.388 9.415 -64.624 1.00 52.43 ? 817 HOH D O 1 HETATM 9650 O O . HOH NA 7 . ? -24.114 8.183 -51.990 1.00 53.64 ? 818 HOH D O 1 HETATM 9651 O O . HOH NA 7 . ? 24.387 -7.900 -79.474 1.00 46.87 ? 819 HOH D O 1 HETATM 9652 O O . HOH NA 7 . ? 25.698 -9.769 -79.356 1.00 58.11 ? 820 HOH D O 1 HETATM 9653 O O . HOH NA 7 . ? 27.966 -9.378 -80.871 1.00 48.41 ? 821 HOH D 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 . GLU A 1 ? 0.7453 0.6275 0.6475 -0.0650 -0.0752 0.0277 3 GLU A N 2 C CA . GLU A 1 ? 0.7480 0.6347 0.6552 -0.0626 -0.0722 0.0272 3 GLU A CA 3 C C . GLU A 1 ? 0.6945 0.5866 0.6056 -0.0602 -0.0691 0.0267 3 GLU A C 4 O O . GLU A 1 ? 0.6441 0.5397 0.5581 -0.0607 -0.0698 0.0281 3 GLU A O 5 C CB . GLU A 1 ? 0.6424 0.5335 0.5560 -0.0636 -0.0738 0.0294 3 GLU A CB 6 C CG . GLU A 1 ? 0.6567 0.5524 0.5754 -0.0612 -0.0709 0.0289 3 GLU A CG 7 C CD . GLU A 1 ? 0.6563 0.5567 0.5816 -0.0621 -0.0724 0.0312 3 GLU A CD 8 O OE1 . GLU A 1 ? 0.6864 0.5880 0.6138 -0.0611 -0.0710 0.0307 3 GLU A OE1 9 O OE2 . GLU A 1 ? 0.6229 0.5259 0.5512 -0.0639 -0.0749 0.0336 3 GLU A OE2 10 N N . LEU A 2 ? 0.6470 0.5397 0.5583 -0.0577 -0.0657 0.0248 4 LEU A N 11 C CA . LEU A 2 ? 0.6869 0.5845 0.6019 -0.0553 -0.0625 0.0243 4 LEU A CA 12 C C . LEU A 2 ? 0.6707 0.5752 0.5937 -0.0543 -0.0615 0.0255 4 LEU A C 13 O O . LEU A 2 ? 0.6467 0.5513 0.5709 -0.0536 -0.0607 0.0251 4 LEU A O 14 C CB . LEU A 2 ? 0.6509 0.5451 0.5615 -0.0531 -0.0594 0.0216 4 LEU A CB 15 C CG . LEU A 2 ? 0.6615 0.5598 0.5750 -0.0504 -0.0559 0.0207 4 LEU A CG 16 C CD1 . LEU A 2 ? 0.6746 0.5742 0.5879 -0.0507 -0.0563 0.0212 4 LEU A CD1 17 C CD2 . LEU A 2 ? 0.6179 0.5121 0.5269 -0.0485 -0.0531 0.0182 4 LEU A CD2 18 N N . ILE A 3 ? 0.5950 0.5053 0.5234 -0.0542 -0.0616 0.0271 5 ILE A N 19 C CA . ILE A 3 ? 0.6169 0.5339 0.5528 -0.0532 -0.0605 0.0283 5 ILE A CA 20 C C . ILE A 3 ? 0.6023 0.5235 0.5411 -0.0507 -0.0572 0.0274 5 ILE A C 21 O O . ILE A 3 ? 0.5420 0.4642 0.4806 -0.0506 -0.0571 0.0276 5 ILE A O 22 C CB . ILE A 3 ? 0.5703 0.4911 0.5109 -0.0551 -0.0633 0.0312 5 ILE A CB 23 C CG1 . ILE A 3 ? 0.6720 0.5886 0.6099 -0.0577 -0.0666 0.0321 5 ILE A CG1 24 C CG2 . ILE A 3 ? 0.5459 0.4735 0.4942 -0.0539 -0.0619 0.0324 5 ILE A CG2 25 C CD1 . ILE A 3 ? 0.6802 0.6010 0.6238 -0.0594 -0.0691 0.0351 5 ILE A CD1 26 N N . CYS A 4 ? 0.5290 0.4527 0.4706 -0.0487 -0.0547 0.0265 6 CYS A N 27 C CA . CYS A 4 ? 0.5202 0.4473 0.4640 -0.0463 -0.0515 0.0255 6 CYS A CA 28 C C . CYS A 4 ? 0.5052 0.4384 0.4557 -0.0450 -0.0501 0.0263 6 CYS A C 29 O O . CYS A 4 ? 0.4733 0.4070 0.4255 -0.0451 -0.0502 0.0266 6 CYS A O 30 C CB . CYS A 4 ? 0.4446 0.3675 0.3835 -0.0447 -0.0492 0.0229 6 CYS A CB 31 S SG . CYS A 4 ? 0.5932 0.5091 0.5240 -0.0455 -0.0499 0.0216 6 CYS A SG 32 N N . ILE A 5 ? 0.4500 0.3879 0.4044 -0.0437 -0.0485 0.0266 7 ILE A N 33 C CA . ILE A 5 ? 0.4895 0.4325 0.4492 -0.0419 -0.0463 0.0266 7 ILE A CA 34 C C . ILE A 5 ? 0.4309 0.3718 0.3881 -0.0400 -0.0437 0.0243 7 ILE A C 35 O O . ILE A 5 ? 0.4426 0.3806 0.3959 -0.0392 -0.0425 0.0229 7 ILE A O 36 C CB . ILE A 5 ? 0.4647 0.4128 0.4287 -0.0410 -0.0453 0.0274 7 ILE A CB 37 C CG1 . ILE A 5 ? 0.3911 0.3410 0.3572 -0.0430 -0.0479 0.0297 7 ILE A CG1 38 C CG2 . ILE A 5 ? 0.4137 0.3669 0.3829 -0.0391 -0.0430 0.0274 7 ILE A CG2 39 C CD1 . ILE A 5 ? 0.4577 0.4126 0.4283 -0.0422 -0.0471 0.0306 7 ILE A CD1 40 N N . VAL A 6 ? 0.4670 0.4091 0.4262 -0.0392 -0.0427 0.0241 8 VAL A N 41 C CA . VAL A 6 ? 0.4665 0.4065 0.4234 -0.0374 -0.0402 0.0221 8 VAL A CA 42 C C . VAL A 6 ? 0.4348 0.3798 0.3964 -0.0353 -0.0376 0.0219 8 VAL A C 43 O O . VAL A 6 ? 0.3979 0.3470 0.3643 -0.0353 -0.0377 0.0231 8 VAL A O 44 C CB . VAL A 6 ? 0.5001 0.4359 0.4540 -0.0381 -0.0409 0.0215 8 VAL A CB 45 C CG1 . VAL A 6 ? 0.4847 0.4210 0.4404 -0.0401 -0.0437 0.0234 8 VAL A CG1 46 C CG2 . VAL A 6 ? 0.4373 0.3741 0.3926 -0.0362 -0.0383 0.0204 8 VAL A CG2 47 N N . GLN A 7 ? 0.4023 0.3467 0.3624 -0.0336 -0.0353 0.0203 9 GLN A N 48 C CA . GLN A 7 ? 0.4295 0.3783 0.3936 -0.0316 -0.0328 0.0199 9 GLN A CA 49 C C . GLN A 7 ? 0.3731 0.3203 0.3362 -0.0303 -0.0310 0.0186 9 GLN A C 50 O O . GLN A 7 ? 0.4126 0.3555 0.3712 -0.0298 -0.0301 0.0172 9 GLN A O 51 C CB . GLN A 7 ? 0.3096 0.2590 0.2731 -0.0305 -0.0314 0.0192 9 GLN A CB 52 C CG . GLN A 7 ? 0.4740 0.4280 0.4415 -0.0308 -0.0320 0.0206 9 GLN A CG 53 C CD . GLN A 7 ? 0.3365 0.2897 0.3020 -0.0303 -0.0314 0.0200 9 GLN A CD 54 O OE1 . GLN A 7 ? 0.4936 0.4431 0.4549 -0.0295 -0.0303 0.0185 9 GLN A OE1 55 N NE2 . GLN A 7 ? 0.4666 0.4233 0.4351 -0.0305 -0.0319 0.0211 9 GLN A NE2 56 N N . ARG A 8 ? 0.4696 0.4202 0.4367 -0.0297 -0.0303 0.0191 10 ARG A N 57 C CA . ARG A 8 ? 0.5030 0.4522 0.4693 -0.0285 -0.0285 0.0179 10 ARG A CA 58 C C . ARG A 8 ? 0.4378 0.3918 0.4089 -0.0270 -0.0268 0.0181 10 ARG A C 59 O O . ARG A 8 ? 0.4146 0.3729 0.3900 -0.0273 -0.0273 0.0194 10 ARG A O 60 C CB . ARG A 8 ? 0.5114 0.4571 0.4755 -0.0297 -0.0300 0.0180 10 ARG A CB 61 C CG . ARG A 8 ? 0.5410 0.4895 0.5087 -0.0310 -0.0318 0.0198 10 ARG A CG 62 C CD . ARG A 8 ? 0.6508 0.5953 0.6159 -0.0322 -0.0333 0.0198 10 ARG A CD 63 N NE . ARG A 8 ? 0.7108 0.6582 0.6797 -0.0332 -0.0347 0.0214 10 ARG A NE 64 C CZ . ARG A 8 ? 0.6768 0.6216 0.6443 -0.0347 -0.0366 0.0220 10 ARG A CZ 65 N NH1 . ARG A 8 ? 0.6777 0.6167 0.6399 -0.0354 -0.0372 0.0209 10 ARG A NH1 66 N NH2 . ARG A 8 ? 0.6176 0.5655 0.5891 -0.0355 -0.0378 0.0236 10 ARG A NH2 67 N N . VAL A 9 ? 0.3939 0.3470 0.3642 -0.0255 -0.0246 0.0168 11 VAL A N 68 C CA . VAL A 9 ? 0.3979 0.3550 0.3722 -0.0240 -0.0229 0.0168 11 VAL A CA 69 C C . VAL A 9 ? 0.4379 0.3938 0.4120 -0.0236 -0.0222 0.0164 11 VAL A C 70 O O . VAL A 9 ? 0.3906 0.3419 0.3609 -0.0240 -0.0224 0.0156 11 VAL A O 71 C CB . VAL A 9 ? 0.3482 0.3066 0.3228 -0.0223 -0.0207 0.0158 11 VAL A CB 72 C CG1 . VAL A 9 ? 0.2521 0.2129 0.2281 -0.0225 -0.0212 0.0165 11 VAL A CG1 73 C CG2 . VAL A 9 ? 0.3457 0.2993 0.3157 -0.0216 -0.0196 0.0144 11 VAL A CG2 74 N N . ASN A 10 ? 0.7640 0.7239 0.7423 -0.0229 -0.0213 0.0169 12 ASN A N 75 C CA . ASN A 10 ? 0.7133 0.6730 0.6924 -0.0224 -0.0205 0.0166 12 ASN A CA 76 C C . ASN A 10 ? 0.6889 0.6490 0.6682 -0.0205 -0.0180 0.0155 12 ASN A C 77 O O . ASN A 10 ? 0.7257 0.6864 0.7047 -0.0196 -0.0169 0.0149 12 ASN A O 78 C CB . ASN A 10 ? 0.6425 0.6065 0.6261 -0.0227 -0.0211 0.0180 12 ASN A CB 79 C CG . ASN A 10 ? 0.8130 0.7756 0.7962 -0.0244 -0.0232 0.0190 12 ASN A CG 80 O OD1 . ASN A 10 ? 0.8941 0.8521 0.8734 -0.0252 -0.0240 0.0184 12 ASN A OD1 81 N ND2 . ASN A 10 ? 0.8270 0.7932 0.8140 -0.0251 -0.0242 0.0205 12 ASN A ND2 82 N N . GLU A 11 ? 0.5884 0.5482 0.5683 -0.0200 -0.0172 0.0153 13 GLU A N 83 C CA . GLU A 11 ? 0.5775 0.5383 0.5584 -0.0183 -0.0149 0.0145 13 GLU A CA 84 C C . GLU A 11 ? 0.5424 0.5085 0.5277 -0.0176 -0.0142 0.0151 13 GLU A C 85 O O . GLU A 11 ? 0.5139 0.4814 0.5002 -0.0162 -0.0125 0.0145 13 GLU A O 86 C CB . GLU A 11 ? 0.6387 0.5983 0.6197 -0.0181 -0.0144 0.0144 13 GLU A CB 87 C CG . GLU A 11 ? 0.7028 0.6654 0.6872 -0.0188 -0.0154 0.0155 13 GLU A CG 88 C CD . GLU A 11 ? 0.8507 0.8121 0.8351 -0.0186 -0.0149 0.0154 13 GLU A CD 89 O OE1 . GLU A 11 ? 0.9263 0.8883 0.9115 -0.0173 -0.0131 0.0148 13 GLU A OE1 90 O OE2 . GLU A 11 ? 0.8828 0.8428 0.8667 -0.0198 -0.0164 0.0160 13 GLU A OE2 91 N N . SER A 12 ? 0.4675 0.4364 0.4552 -0.0185 -0.0156 0.0163 14 SER A N 92 C CA . SER A 12 ? 0.3983 0.3720 0.3900 -0.0179 -0.0151 0.0170 14 SER A CA 93 C C . SER A 12 ? 0.4119 0.3866 0.4034 -0.0175 -0.0148 0.0167 14 SER A C 94 O O . SER A 12 ? 0.4358 0.4140 0.4301 -0.0166 -0.0139 0.0169 14 SER A O 95 C CB . SER A 12 ? 0.4239 0.4001 0.4182 -0.0191 -0.0167 0.0184 14 SER A CB 96 O OG . SER A 12 ? 0.5110 0.4868 0.5058 -0.0194 -0.0169 0.0187 14 SER A OG 97 N N . PHE A 13 ? 0.3855 0.3570 0.3738 -0.0181 -0.0155 0.0163 15 PHE A N 98 C CA . PHE A 13 ? 0.4122 0.3843 0.4001 -0.0178 -0.0153 0.0161 15 PHE A CA 99 C C . PHE A 13 ? 0.4789 0.4497 0.4653 -0.0163 -0.0134 0.0148 15 PHE A C 100 O O . PHE A 13 ? 0.4773 0.4447 0.4609 -0.0160 -0.0128 0.0140 15 PHE A O 101 C CB . PHE A 13 ? 0.4043 0.3736 0.3893 -0.0191 -0.0170 0.0163 15 PHE A CB 102 C CG . PHE A 13 ? 0.3884 0.3597 0.3754 -0.0205 -0.0190 0.0178 15 PHE A CG 103 C CD1 . PHE A 13 ? 0.4012 0.3717 0.3883 -0.0217 -0.0204 0.0186 15 PHE A CD1 104 C CD2 . PHE A 13 ? 0.3340 0.3078 0.3228 -0.0207 -0.0194 0.0185 15 PHE A CD2 105 C CE1 . PHE A 13 ? 0.3903 0.3627 0.3794 -0.0230 -0.0222 0.0201 15 PHE A CE1 106 C CE2 . PHE A 13 ? 0.3719 0.3476 0.3627 -0.0220 -0.0211 0.0200 15 PHE A CE2 107 C CZ . PHE A 13 ? 0.4187 0.3937 0.4097 -0.0231 -0.0225 0.0208 15 PHE A CZ 108 N N . SER A 14 ? 0.4399 0.4137 0.4284 -0.0153 -0.0124 0.0148 16 SER A N 109 C CA . SER A 14 ? 0.4606 0.4333 0.4478 -0.0140 -0.0107 0.0137 16 SER A CA 110 C C . SER A 14 ? 0.4255 0.3982 0.4118 -0.0140 -0.0109 0.0137 16 SER A C 111 O O . SER A 14 ? 0.3700 0.3445 0.3576 -0.0149 -0.0121 0.0145 16 SER A O 112 C CB . SER A 14 ? 0.4021 0.3781 0.3925 -0.0127 -0.0091 0.0137 16 SER A CB 113 O OG . SER A 14 ? 0.5864 0.5663 0.5801 -0.0129 -0.0097 0.0146 16 SER A OG 114 N N . LEU A 15 ? 0.4454 0.4158 0.4293 -0.0132 -0.0098 0.0127 17 LEU A N 115 C CA . LEU A 15 ? 0.4203 0.3899 0.4026 -0.0132 -0.0100 0.0125 17 LEU A CA 116 C C . LEU A 15 ? 0.4228 0.3955 0.4077 -0.0120 -0.0087 0.0124 17 LEU A C 117 O O . LEU A 15 ? 0.4261 0.3995 0.4119 -0.0107 -0.0072 0.0120 17 LEU A O 118 C CB . LEU A 15 ? 0.3814 0.3462 0.3592 -0.0130 -0.0095 0.0116 17 LEU A CB 119 C CG . LEU A 15 ? 0.4272 0.3905 0.4027 -0.0133 -0.0099 0.0114 17 LEU A CG 120 C CD1 . LEU A 15 ? 0.4224 0.3862 0.3979 -0.0149 -0.0120 0.0123 17 LEU A CD1 121 C CD2 . LEU A 15 ? 0.4548 0.4132 0.4256 -0.0130 -0.0092 0.0105 17 LEU A CD2 122 N N . HIS A 16 ? 0.4048 0.3795 0.3908 -0.0124 -0.0095 0.0130 18 HIS A N 123 C CA . HIS A 16 ? 0.3915 0.3690 0.3798 -0.0114 -0.0085 0.0129 18 HIS A CA 124 C C . HIS A 16 ? 0.3803 0.3561 0.3663 -0.0114 -0.0086 0.0126 18 HIS A C 125 O O . HIS A 16 ? 0.3829 0.3573 0.3672 -0.0126 -0.0100 0.0130 18 HIS A O 126 C CB . HIS A 16 ? 0.3493 0.3308 0.3413 -0.0117 -0.0091 0.0139 18 HIS A CB 127 C CG . HIS A 16 ? 0.4488 0.4319 0.4429 -0.0119 -0.0093 0.0143 18 HIS A CG 128 N ND1 . HIS A 16 ? 0.4869 0.4713 0.4825 -0.0109 -0.0080 0.0140 18 HIS A ND1 129 C CD2 . HIS A 16 ? 0.4012 0.3845 0.3957 -0.0131 -0.0107 0.0152 18 HIS A CD2 130 C CE1 . HIS A 16 ? 0.5019 0.4874 0.4990 -0.0114 -0.0085 0.0146 18 HIS A CE1 131 N NE2 . HIS A 16 ? 0.4678 0.4527 0.4643 -0.0127 -0.0101 0.0153 18 HIS A NE2 132 N N . SER A 17 ? 0.3889 0.3647 0.3748 -0.0101 -0.0071 0.0120 19 SER A N 133 C CA . SER A 17 ? 0.3530 0.3268 0.3364 -0.0100 -0.0070 0.0116 19 SER A CA 134 C C . SER A 17 ? 0.3202 0.2970 0.3059 -0.0099 -0.0072 0.0121 19 SER A C 135 O O . SER A 17 ? 0.2907 0.2709 0.2798 -0.0093 -0.0068 0.0124 19 SER A O 136 C CB . SER A 17 ? 0.3406 0.3126 0.3226 -0.0086 -0.0052 0.0107 19 SER A CB 137 O OG . SER A 17 ? 0.4266 0.4016 0.4117 -0.0074 -0.0039 0.0107 19 SER A OG 138 N N . GLY A 18 ? 0.2530 0.2284 0.2367 -0.0105 -0.0080 0.0122 20 GLY A N 139 C CA . GLY A 18 ? 0.2473 0.2253 0.2330 -0.0104 -0.0082 0.0126 20 GLY A CA 140 C C . GLY A 18 ? 0.2564 0.2321 0.2393 -0.0101 -0.0078 0.0122 20 GLY A C 141 O O . GLY A 18 ? 0.2585 0.2305 0.2377 -0.0102 -0.0077 0.0116 20 GLY A O 142 N N . PHE A 19 ? 0.3004 0.2784 0.2851 -0.0097 -0.0076 0.0124 21 PHE A N 143 C CA . PHE A 19 ? 0.3266 0.3027 0.3089 -0.0095 -0.0074 0.0122 21 PHE A CA 144 C C . PHE A 19 ? 0.3316 0.3068 0.3125 -0.0111 -0.0093 0.0128 21 PHE A C 145 O O . PHE A 19 ? 0.2666 0.2445 0.2499 -0.0115 -0.0100 0.0136 21 PHE A O 146 C CB . PHE A 19 ? 0.3087 0.2875 0.2936 -0.0084 -0.0064 0.0122 21 PHE A CB 147 C CG . PHE A 19 ? 0.2614 0.2401 0.2467 -0.0068 -0.0045 0.0114 21 PHE A CG 148 C CD1 . PHE A 19 ? 0.2692 0.2445 0.2511 -0.0062 -0.0036 0.0108 21 PHE A CD1 149 C CD2 . PHE A 19 ? 0.2868 0.2688 0.2757 -0.0059 -0.0036 0.0115 21 PHE A CD2 150 C CE1 . PHE A 19 ? 0.2769 0.2521 0.2594 -0.0048 -0.0019 0.0103 21 PHE A CE1 151 C CE2 . PHE A 19 ? 0.2612 0.2431 0.2506 -0.0045 -0.0021 0.0110 21 PHE A CE2 152 C CZ . PHE A 19 ? 0.2812 0.2598 0.2675 -0.0040 -0.0012 0.0104 21 PHE A CZ 153 N N . GLY A 20 ? 0.2763 0.2478 0.2533 -0.0121 -0.0101 0.0126 22 GLY A N 154 C CA . GLY A 20 ? 0.3105 0.2809 0.2859 -0.0137 -0.0121 0.0133 22 GLY A CA 155 C C . GLY A 20 ? 0.3980 0.3682 0.3737 -0.0151 -0.0136 0.0140 22 GLY A C 156 O O . GLY A 20 ? 0.4920 0.4629 0.4683 -0.0165 -0.0154 0.0149 22 GLY A O 157 N N . GLY A 21 ? 0.3400 0.3093 0.3155 -0.0147 -0.0130 0.0135 23 GLY A N 158 C CA . GLY A 21 ? 0.3194 0.2883 0.2951 -0.0159 -0.0144 0.0140 23 GLY A CA 159 C C . GLY A 21 ? 0.3091 0.2796 0.2871 -0.0151 -0.0133 0.0138 23 GLY A C 160 O O . GLY A 21 ? 0.3400 0.3138 0.3213 -0.0140 -0.0122 0.0138 23 GLY A O 161 N N . ASN A 22 ? 0.2795 0.2476 0.2556 -0.0156 -0.0138 0.0136 24 ASN A N 162 C CA . ASN A 22 ? 0.2644 0.2339 0.2427 -0.0151 -0.0130 0.0135 24 ASN A CA 163 C C . ASN A 22 ? 0.2792 0.2503 0.2595 -0.0163 -0.0146 0.0146 24 ASN A C 164 O O . ASN A 22 ? 0.2527 0.2232 0.2322 -0.0178 -0.0164 0.0153 24 ASN A O 165 C CB . ASN A 22 ? 0.2625 0.2282 0.2375 -0.0146 -0.0121 0.0125 24 ASN A CB 166 C CG . ASN A 22 ? 0.3143 0.2788 0.2879 -0.0131 -0.0102 0.0115 24 ASN A CG 167 O OD1 . ASN A 22 ? 0.2883 0.2552 0.2638 -0.0122 -0.0094 0.0115 24 ASN A OD1 168 N ND2 . ASN A 22 ? 0.2395 0.2000 0.2095 -0.0127 -0.0095 0.0107 24 ASN A ND2 169 N N . VAL A 23 ? 0.2993 0.2726 0.2824 -0.0159 -0.0140 0.0147 25 VAL A N 170 C CA . VAL A 23 ? 0.3093 0.2846 0.2947 -0.0169 -0.0153 0.0158 25 VAL A CA 171 C C . VAL A 23 ? 0.3397 0.3141 0.3251 -0.0167 -0.0149 0.0155 25 VAL A C 172 O O . VAL A 23 ? 0.3375 0.3126 0.3237 -0.0154 -0.0133 0.0148 25 VAL A O 173 C CB . VAL A 23 ? 0.3173 0.2975 0.3074 -0.0164 -0.0151 0.0167 25 VAL A CB 174 C CG1 . VAL A 23 ? 0.3504 0.3326 0.3430 -0.0172 -0.0160 0.0177 25 VAL A CG1 175 C CG2 . VAL A 23 ? 0.2662 0.2474 0.2567 -0.0169 -0.0158 0.0172 25 VAL A CG2 176 N N . TYR A 24 ? 0.2993 0.2722 0.2837 -0.0181 -0.0165 0.0161 26 TYR A N 177 C CA . TYR A 24 ? 0.3184 0.2911 0.3034 -0.0181 -0.0163 0.0161 26 TYR A CA 178 C C . TYR A 24 ? 0.3600 0.3369 0.3494 -0.0183 -0.0168 0.0173 26 TYR A C 179 O O . TYR A 24 ? 0.2538 0.2322 0.2446 -0.0194 -0.0183 0.0185 26 TYR A O 180 C CB . TYR A 24 ? 0.3345 0.3031 0.3160 -0.0194 -0.0178 0.0160 26 TYR A CB 181 C CG . TYR A 24 ? 0.3600 0.3241 0.3373 -0.0188 -0.0168 0.0147 26 TYR A CG 182 C CD1 . TYR A 24 ? 0.3631 0.3266 0.3404 -0.0177 -0.0153 0.0139 26 TYR A CD1 183 C CD2 . TYR A 24 ? 0.3976 0.3581 0.3709 -0.0194 -0.0174 0.0142 26 TYR A CD2 184 C CE1 . TYR A 24 ? 0.3530 0.3125 0.3266 -0.0171 -0.0143 0.0128 26 TYR A CE1 185 C CE2 . TYR A 24 ? 0.4016 0.3580 0.3710 -0.0188 -0.0164 0.0130 26 TYR A CE2 186 C CZ . TYR A 24 ? 0.4203 0.3762 0.3899 -0.0176 -0.0148 0.0123 26 TYR A CZ 187 O OH . TYR A 24 ? 0.5624 0.5142 0.5282 -0.0169 -0.0137 0.0112 26 TYR A OH 188 N N . SER A 25 ? 0.3352 0.3141 0.3268 -0.0174 -0.0156 0.0172 27 SER A N 189 C CA . SER A 25 ? 0.2913 0.2740 0.2868 -0.0176 -0.0160 0.0183 27 SER A CA 190 C C . SER A 25 ? 0.2873 0.2702 0.2836 -0.0171 -0.0152 0.0181 27 SER A C 191 O O . SER A 25 ? 0.3278 0.3084 0.3221 -0.0164 -0.0142 0.0170 27 SER A O 192 C CB . SER A 25 ? 0.3005 0.2871 0.2992 -0.0166 -0.0150 0.0186 27 SER A CB 193 O OG . SER A 25 ? 0.2525 0.2397 0.2515 -0.0151 -0.0131 0.0176 27 SER A OG 194 N N . MET A 26 ? 0.4327 0.4184 0.4320 -0.0175 -0.0157 0.0192 28 MET A N 195 C CA . MET A 26 ? 0.5039 0.4902 0.5043 -0.0171 -0.0151 0.0191 28 MET A CA 196 C C . MET A 26 ? 0.4867 0.4766 0.4902 -0.0158 -0.0136 0.0191 28 MET A C 197 O O . MET A 26 ? 0.5847 0.5747 0.5884 -0.0149 -0.0124 0.0185 28 MET A O 198 C CB . MET A 26 ? 0.4881 0.4750 0.4898 -0.0184 -0.0167 0.0204 28 MET A CB 199 C CG . MET A 26 ? 0.5416 0.5247 0.5402 -0.0198 -0.0184 0.0205 28 MET A CG 200 S SD . MET A 26 ? 0.5883 0.5719 0.5884 -0.0212 -0.0200 0.0219 28 MET A SD 201 C CE . MET A 26 ? 0.7510 0.7398 0.7558 -0.0211 -0.0202 0.0236 28 MET A CE 202 N N . LYS A 27 ? 0.4129 0.4058 0.4187 -0.0156 -0.0136 0.0198 29 LYS A N 203 C CA . LYS A 27 ? 0.4464 0.4425 0.4548 -0.0144 -0.0122 0.0198 29 LYS A CA 204 C C . LYS A 27 ? 0.4295 0.4260 0.4377 -0.0135 -0.0113 0.0190 29 LYS A C 205 O O . LYS A 27 ? 0.4094 0.4044 0.4159 -0.0140 -0.0119 0.0189 29 LYS A O 206 C CB . LYS A 27 ? 0.4675 0.4671 0.4792 -0.0148 -0.0128 0.0212 29 LYS A CB 207 C CG . LYS A 27 ? 0.5330 0.5322 0.5450 -0.0162 -0.0143 0.0224 29 LYS A CG 208 C CD . LYS A 27 ? 0.5814 0.5840 0.5967 -0.0166 -0.0149 0.0240 29 LYS A CD 209 C CE . LYS A 27 ? 0.6673 0.6693 0.6829 -0.0180 -0.0167 0.0253 29 LYS A CE 210 N NZ . LYS A 27 ? 0.7121 0.7175 0.7311 -0.0184 -0.0173 0.0271 29 LYS A NZ 211 N N . THR A 28 ? 0.3573 0.3558 0.3670 -0.0123 -0.0098 0.0186 30 THR A N 212 C CA . THR A 28 ? 0.3530 0.3523 0.3629 -0.0114 -0.0089 0.0180 30 THR A CA 213 C C . THR A 28 ? 0.3445 0.3475 0.3575 -0.0106 -0.0081 0.0185 30 THR A C 214 O O . THR A 28 ? 0.3368 0.3411 0.3512 -0.0105 -0.0079 0.0188 30 THR A O 215 C CB . THR A 28 ? 0.3763 0.3736 0.3843 -0.0104 -0.0077 0.0167 30 THR A CB 216 O OG1 . THR A 28 ? 0.4677 0.4657 0.4766 -0.0098 -0.0068 0.0165 30 THR A OG1 217 C CG2 . THR A 28 ? 0.3243 0.3178 0.3291 -0.0110 -0.0083 0.0162 30 THR A CG2 218 N N . GLU A 29 ? 0.3897 0.3941 0.4037 -0.0102 -0.0078 0.0185 31 GLU A N 219 C CA . GLU A 29 ? 0.4056 0.4130 0.4221 -0.0093 -0.0069 0.0188 31 GLU A CA 220 C C . GLU A 29 ? 0.3227 0.3300 0.3388 -0.0083 -0.0058 0.0178 31 GLU A C 221 O O . GLU A 29 ? 0.3162 0.3220 0.3308 -0.0084 -0.0060 0.0174 31 GLU A O 222 C CB . GLU A 29 ? 0.3711 0.3809 0.3898 -0.0098 -0.0076 0.0200 31 GLU A CB 223 C CG . GLU A 29 ? 0.4812 0.4910 0.5004 -0.0110 -0.0088 0.0212 31 GLU A CG 224 C CD . GLU A 29 ? 0.6246 0.6367 0.6462 -0.0115 -0.0095 0.0227 31 GLU A CD 225 O OE1 . GLU A 29 ? 0.6418 0.6557 0.6647 -0.0108 -0.0088 0.0227 31 GLU A OE1 226 O OE2 . GLU A 29 ? 0.6960 0.7083 0.7182 -0.0125 -0.0107 0.0238 31 GLU A OE2 227 N N . PRO A 30 ? 0.2740 0.2828 0.2912 -0.0073 -0.0047 0.0174 32 PRO A N 228 C CA . PRO A 30 ? 0.2853 0.2940 0.3022 -0.0063 -0.0037 0.0165 32 PRO A CA 229 C C . PRO A 30 ? 0.2619 0.2719 0.2798 -0.0062 -0.0039 0.0168 32 PRO A C 230 O O . PRO A 30 ? 0.2169 0.2287 0.2366 -0.0065 -0.0043 0.0178 32 PRO A O 231 C CB . PRO A 30 ? 0.2875 0.2977 0.3057 -0.0054 -0.0027 0.0162 32 PRO A CB 232 C CG . PRO A 30 ? 0.3287 0.3404 0.3482 -0.0059 -0.0031 0.0171 32 PRO A CG 233 C CD . PRO A 30 ? 0.2754 0.2856 0.2940 -0.0070 -0.0042 0.0176 32 PRO A CD 234 N N . MET A 31 ? 0.3646 0.3736 0.3815 -0.0057 -0.0035 0.0161 33 MET A N 235 C CA . MET A 31 ? 0.4080 0.4180 0.4258 -0.0057 -0.0037 0.0164 33 MET A CA 236 C C . MET A 31 ? 0.3899 0.4025 0.4100 -0.0049 -0.0029 0.0166 33 MET A C 237 O O . MET A 31 ? 0.4162 0.4303 0.4377 -0.0051 -0.0032 0.0173 33 MET A O 238 C CB . MET A 31 ? 0.3714 0.3795 0.3874 -0.0054 -0.0035 0.0157 33 MET A CB 239 C CG . MET A 31 ? 0.5248 0.5319 0.5398 -0.0063 -0.0045 0.0161 33 MET A CG 240 S SD . MET A 31 ? 0.5246 0.5296 0.5376 -0.0058 -0.0041 0.0152 33 MET A SD 241 C CE . MET A 31 ? 0.3155 0.3185 0.3268 -0.0053 -0.0033 0.0143 33 MET A CE 242 N N . THR A 32 ? 0.2818 0.2948 0.3022 -0.0041 -0.0020 0.0161 34 THR A N 243 C CA . THR A 32 ? 0.2389 0.2541 0.2611 -0.0033 -0.0012 0.0161 34 THR A CA 244 C C . THR A 32 ? 0.2335 0.2488 0.2557 -0.0028 -0.0005 0.0156 34 THR A C 245 O O . THR A 32 ? 0.2774 0.2914 0.2985 -0.0031 -0.0007 0.0155 34 THR A O 246 C CB . THR A 32 ? 0.2987 0.3141 0.3211 -0.0026 -0.0007 0.0156 34 THR A CB 247 O OG1 . THR A 32 ? 0.3404 0.3577 0.3645 -0.0019 0.0000 0.0156 34 THR A OG1 248 C CG2 . THR A 32 ? 0.3107 0.3243 0.3316 -0.0021 -0.0003 0.0146 34 THR A CG2 249 N N . GLY A 33 ? 0.3245 0.3414 0.3479 -0.0020 0.0002 0.0155 35 GLY A N 250 C CA . GLY A 33 ? 0.3099 0.3271 0.3333 -0.0016 0.0008 0.0152 35 GLY A CA 251 C C . GLY A 33 ? 0.3442 0.3623 0.3682 -0.0006 0.0016 0.0147 35 GLY A C 252 O O . GLY A 33 ? 0.3425 0.3604 0.3666 -0.0002 0.0018 0.0144 35 GLY A O 253 N N . PHE A 34 ? 0.2362 0.2549 0.2604 -0.0003 0.0021 0.0147 36 PHE A N 254 C CA . PHE A 34 ? 0.2504 0.2696 0.2749 0.0005 0.0028 0.0142 36 PHE A CA 255 C C . PHE A 34 ? 0.2800 0.3009 0.3057 0.0009 0.0032 0.0146 36 PHE A C 256 O O . PHE A 34 ? 0.3056 0.3276 0.3321 0.0006 0.0032 0.0154 36 PHE A O 257 C CB . PHE A 34 ? 0.2478 0.2666 0.2717 0.0006 0.0030 0.0139 36 PHE A CB 258 C CG . PHE A 34 ? 0.2901 0.3072 0.3129 0.0003 0.0028 0.0135 36 PHE A CG 259 C CD1 . PHE A 34 ? 0.2428 0.2587 0.2651 0.0006 0.0028 0.0130 36 PHE A CD1 260 C CD2 . PHE A 34 ? 0.2541 0.2708 0.2766 -0.0001 0.0026 0.0138 36 PHE A CD2 261 C CE1 . PHE A 34 ? 0.3244 0.3386 0.3457 0.0004 0.0027 0.0128 36 PHE A CE1 262 C CE2 . PHE A 34 ? 0.3037 0.3188 0.3252 -0.0003 0.0024 0.0135 36 PHE A CE2 263 C CZ . PHE A 34 ? 0.3267 0.3405 0.3476 0.0000 0.0025 0.0130 36 PHE A CZ 264 N N . THR A 35 ? 0.3071 0.3281 0.3329 0.0016 0.0038 0.0140 37 THR A N 265 C CA . THR A 35 ? 0.2898 0.3122 0.3165 0.0021 0.0044 0.0143 37 THR A CA 266 C C . THR A 35 ? 0.2899 0.3124 0.3160 0.0026 0.0049 0.0140 37 THR A C 267 O O . THR A 35 ? 0.2745 0.2959 0.2997 0.0028 0.0049 0.0133 37 THR A O 268 C CB . THR A 35 ? 0.2612 0.2836 0.2883 0.0027 0.0046 0.0139 37 THR A CB 269 O OG1 . THR A 35 ? 0.3020 0.3244 0.3296 0.0022 0.0041 0.0143 37 THR A OG1 270 C CG2 . THR A 35 ? 0.2647 0.2884 0.2926 0.0033 0.0054 0.0141 37 THR A CG2 271 N N . ASN A 36 ? 0.1841 0.2078 0.2108 0.0027 0.0053 0.0145 38 ASN A N 272 C CA . ASN A 36 ? 0.2392 0.2629 0.2652 0.0031 0.0059 0.0143 38 ASN A CA 273 C C . ASN A 36 ? 0.2304 0.2536 0.2558 0.0038 0.0063 0.0135 38 ASN A C 274 O O . ASN A 36 ? 0.2437 0.2670 0.2697 0.0042 0.0065 0.0133 38 ASN A O 275 C CB . ASN A 36 ? 0.2579 0.2831 0.2846 0.0033 0.0064 0.0151 38 ASN A CB 276 C CG . ASN A 36 ? 0.3590 0.3847 0.3862 0.0025 0.0060 0.0160 38 ASN A CG 277 O OD1 . ASN A 36 ? 0.3314 0.3563 0.3582 0.0019 0.0052 0.0158 38 ASN A OD1 278 N ND2 . ASN A 36 ? 0.4027 0.4298 0.4307 0.0026 0.0064 0.0169 38 ASN A ND2 279 N N . VAL A 37 ? 0.1937 0.2162 0.2180 0.0040 0.0065 0.0130 39 VAL A N 280 C CA . VAL A 37 ? 0.1879 0.2097 0.2115 0.0046 0.0068 0.0122 39 VAL A CA 281 C C . VAL A 37 ? 0.2262 0.2483 0.2490 0.0051 0.0075 0.0123 39 VAL A C 282 O O . VAL A 37 ? 0.2453 0.2674 0.2675 0.0048 0.0074 0.0124 39 VAL A O 283 C CB . VAL A 37 ? 0.2263 0.2468 0.2490 0.0045 0.0063 0.0116 39 VAL A CB 284 C CG1 . VAL A 37 ? 0.1897 0.2094 0.2117 0.0050 0.0065 0.0109 39 VAL A CG1 285 C CG2 . VAL A 37 ? 0.2160 0.2361 0.2393 0.0041 0.0057 0.0116 39 VAL A CG2 286 N N . THR A 38 ? 0.2380 0.2603 0.2609 0.0058 0.0082 0.0121 40 THR A N 287 C CA . THR A 38 ? 0.2363 0.2587 0.2582 0.0063 0.0090 0.0121 40 THR A CA 288 C C . THR A 38 ? 0.2485 0.2694 0.2687 0.0066 0.0090 0.0112 40 THR A C 289 O O . THR A 38 ? 0.2205 0.2408 0.2408 0.0070 0.0089 0.0106 40 THR A O 290 C CB . THR A 38 ? 0.2524 0.2758 0.2752 0.0069 0.0098 0.0126 40 THR A CB 291 O OG1 . THR A 38 ? 0.2303 0.2550 0.2548 0.0065 0.0097 0.0136 40 THR A OG1 292 C CG2 . THR A 38 ? 0.1790 0.2025 0.2008 0.0075 0.0108 0.0127 40 THR A CG2 293 N N . LYS A 39 ? 0.2514 0.2717 0.2702 0.0066 0.0090 0.0110 41 LYS A N 294 C CA . LYS A 39 ? 0.2909 0.3098 0.3080 0.0068 0.0089 0.0102 41 LYS A CA 295 C C . LYS A 39 ? 0.2904 0.3088 0.3068 0.0077 0.0098 0.0099 41 LYS A C 296 O O . LYS A 39 ? 0.3340 0.3534 0.3509 0.0081 0.0107 0.0104 41 LYS A O 297 C CB . LYS A 39 ? 0.2696 0.2880 0.2852 0.0065 0.0088 0.0103 41 LYS A CB 298 C CG . LYS A 39 ? 0.3742 0.3924 0.3901 0.0057 0.0078 0.0104 41 LYS A CG 299 C CD . LYS A 39 ? 0.4312 0.4488 0.4457 0.0054 0.0076 0.0104 41 LYS A CD 300 C CE . LYS A 39 ? 0.6062 0.6233 0.6209 0.0047 0.0066 0.0104 41 LYS A CE 301 N NZ . LYS A 39 ? 0.6299 0.6480 0.6464 0.0044 0.0064 0.0109 41 LYS A NZ 302 N N . GLY A 40 ? 0.2442 0.2612 0.2595 0.0079 0.0095 0.0091 42 GLY A N 303 C CA . GLY A 40 ? 0.2956 0.3118 0.3099 0.0087 0.0103 0.0087 42 GLY A CA 304 C C . GLY A 40 ? 0.2818 0.2978 0.2971 0.0090 0.0102 0.0083 42 GLY A C 305 O O . GLY A 40 ? 0.2560 0.2720 0.2723 0.0086 0.0094 0.0082 42 GLY A O 306 N N . ALA A 41 ? 0.1967 0.2124 0.2116 0.0098 0.0112 0.0081 43 ALA A N 307 C CA . ALA A 41 ? 0.2110 0.2262 0.2266 0.0102 0.0112 0.0077 43 ALA A CA 308 C C . ALA A 41 ? 0.1979 0.2148 0.2157 0.0106 0.0119 0.0084 43 ALA A C 309 O O . ALA A 41 ? 0.1685 0.1865 0.1867 0.0108 0.0127 0.0091 43 ALA A O 310 C CB . ALA A 41 ? 0.2417 0.2551 0.2552 0.0108 0.0117 0.0069 43 ALA A CB 311 N N . SER A 42 ? 0.2302 0.2472 0.2493 0.0106 0.0116 0.0083 44 SER A N 312 C CA . SER A 42 ? 0.2084 0.2269 0.2296 0.0109 0.0122 0.0089 44 SER A CA 313 C C . SER A 42 ? 0.2205 0.2386 0.2426 0.0111 0.0118 0.0085 44 SER A C 314 O O . SER A 42 ? 0.2258 0.2425 0.2469 0.0111 0.0112 0.0078 44 SER A O 315 C CB . SER A 42 ? 0.2005 0.2207 0.2233 0.0103 0.0118 0.0098 44 SER A CB 316 O OG . SER A 42 ? 0.2083 0.2300 0.2330 0.0105 0.0124 0.0107 44 SER A OG 317 N N . VAL A 43 ? 0.1464 0.1658 0.1705 0.0113 0.0121 0.0092 45 VAL A N 318 C CA . VAL A 43 ? 0.1446 0.1639 0.1698 0.0114 0.0118 0.0089 45 VAL A CA 319 C C . VAL A 43 ? 0.1743 0.1953 0.2018 0.0110 0.0115 0.0098 45 VAL A C 320 O O . VAL A 43 ? 0.1796 0.2020 0.2081 0.0108 0.0119 0.0107 45 VAL A O 321 C CB . VAL A 43 ? 0.1510 0.1698 0.1762 0.0124 0.0128 0.0087 45 VAL A CB 322 C CG1 . VAL A 43 ? 0.1444 0.1611 0.1671 0.0127 0.0129 0.0077 45 VAL A CG1 323 C CG2 . VAL A 43 ? 0.1514 0.1715 0.1776 0.0129 0.0141 0.0096 45 VAL A CG2 324 N N . ILE A 44 ? 0.1770 0.1979 0.2053 0.0108 0.0108 0.0096 46 ILE A N 325 C CA . ILE A 44 ? 0.2283 0.2506 0.2585 0.0103 0.0104 0.0103 46 ILE A CA 326 C C . ILE A 44 ? 0.2137 0.2368 0.2456 0.0108 0.0110 0.0108 46 ILE A C 327 O O . ILE A 44 ? 0.2540 0.2784 0.2876 0.0105 0.0108 0.0116 46 ILE A O 328 C CB . ILE A 44 ? 0.1895 0.2112 0.2197 0.0097 0.0093 0.0100 46 ILE A CB 329 C CG1 . ILE A 44 ? 0.1874 0.2081 0.2175 0.0102 0.0092 0.0093 46 ILE A CG1 330 C CG2 . ILE A 44 ? 0.1712 0.1921 0.1999 0.0092 0.0087 0.0097 46 ILE A CG2 331 C CD1 . ILE A 44 ? 0.1389 0.1593 0.1693 0.0098 0.0082 0.0091 46 ILE A CD1 332 N N . ASN A 45 ? 0.2396 0.2619 0.2710 0.0116 0.0117 0.0103 47 ASN A N 333 C CA . ASN A 45 ? 0.2367 0.2597 0.2697 0.0122 0.0124 0.0107 47 ASN A CA 334 C C . ASN A 45 ? 0.2639 0.2862 0.2961 0.0132 0.0136 0.0104 47 ASN A C 335 O O . ASN A 45 ? 0.2289 0.2495 0.2596 0.0136 0.0138 0.0095 47 ASN A O 336 C CB . ASN A 45 ? 0.2503 0.2727 0.2839 0.0122 0.0118 0.0102 47 ASN A CB 337 C CG . ASN A 45 ? 0.2884 0.3117 0.3239 0.0128 0.0124 0.0107 47 ASN A CG 338 O OD1 . ASN A 45 ? 0.3083 0.3326 0.3448 0.0132 0.0133 0.0114 47 ASN A OD1 339 N ND2 . ASN A 45 ? 0.2467 0.2698 0.2830 0.0128 0.0118 0.0104 47 ASN A ND2 340 N N . GLN A 46 ? 0.2678 0.2913 0.3009 0.0135 0.0146 0.0114 48 GLN A N 341 C CA . GLN A 46 ? 0.2376 0.2606 0.2699 0.0144 0.0160 0.0113 48 GLN A CA 342 C C . GLN A 46 ? 0.3093 0.3315 0.3420 0.0153 0.0167 0.0110 48 GLN A C 343 O O . GLN A 46 ? 0.2910 0.3120 0.3223 0.0161 0.0178 0.0105 48 GLN A O 344 C CB . GLN A 46 ? 0.2436 0.2683 0.2773 0.0146 0.0169 0.0126 48 GLN A CB 345 C CG . GLN A 46 ? 0.2643 0.2892 0.2970 0.0141 0.0167 0.0129 48 GLN A CG 346 C CD . GLN A 46 ? 0.2823 0.3056 0.3123 0.0146 0.0174 0.0121 48 GLN A CD 347 O OE1 . GLN A 46 ? 0.2973 0.3193 0.3262 0.0155 0.0182 0.0114 48 GLN A OE1 348 N NE2 . GLN A 46 ? 0.2236 0.2469 0.2524 0.0141 0.0170 0.0121 48 GLN A NE2 349 N N . LYS A 47 ? 0.4064 0.4292 0.4408 0.0151 0.0161 0.0111 49 LYS A N 350 C CA . LYS A 47 ? 0.3832 0.4055 0.4183 0.0158 0.0167 0.0109 49 LYS A CA 351 C C . LYS A 47 ? 0.4229 0.4432 0.4565 0.0159 0.0160 0.0096 49 LYS A C 352 O O . LYS A 47 ? 0.5024 0.5221 0.5365 0.0165 0.0163 0.0093 49 LYS A O 353 C CB . LYS A 47 ? 0.4155 0.4397 0.4537 0.0156 0.0165 0.0119 49 LYS A CB 354 C CG . LYS A 47 ? 0.5278 0.5540 0.5679 0.0156 0.0173 0.0134 49 LYS A CG 355 C CD . LYS A 47 ? 0.5304 0.5584 0.5733 0.0151 0.0167 0.0145 49 LYS A CD 356 C CE . LYS A 47 ? 0.6883 0.7171 0.7314 0.0139 0.0153 0.0149 49 LYS A CE 357 N NZ . LYS A 47 ? 0.5927 0.6203 0.6343 0.0134 0.0141 0.0137 49 LYS A NZ 358 N N . ASP A 48 ? 0.3315 0.3509 0.3634 0.0153 0.0150 0.0089 50 ASP A N 359 C CA . ASP A 48 ? 0.2917 0.3092 0.3222 0.0152 0.0142 0.0078 50 ASP A CA 360 C C . ASP A 48 ? 0.2933 0.3091 0.3210 0.0149 0.0137 0.0070 50 ASP A C 361 O O . ASP A 48 ? 0.2278 0.2433 0.2551 0.0142 0.0125 0.0066 50 ASP A O 362 C CB . ASP A 48 ? 0.3236 0.3418 0.3557 0.0146 0.0130 0.0079 50 ASP A CB 363 C CG . ASP A 48 ? 0.3952 0.4118 0.4266 0.0148 0.0124 0.0070 50 ASP A CG 364 O OD1 . ASP A 48 ? 0.3999 0.4146 0.4293 0.0152 0.0126 0.0062 50 ASP A OD1 365 O OD2 . ASP A 48 ? 0.5063 0.5236 0.5393 0.0145 0.0117 0.0072 50 ASP A OD2 366 N N . TRP A 49 ? 0.2290 0.2439 0.2550 0.0154 0.0146 0.0067 51 TRP A N 367 C CA . TRP A 49 ? 0.2061 0.2193 0.2293 0.0152 0.0142 0.0060 51 TRP A CA 368 C C . TRP A 49 ? 0.2041 0.2153 0.2251 0.0160 0.0152 0.0053 51 TRP A C 369 O O . TRP A 49 ? 0.2084 0.2198 0.2298 0.0168 0.0165 0.0056 51 TRP A O 370 C CB . TRP A 49 ? 0.1913 0.2055 0.2143 0.0146 0.0140 0.0065 51 TRP A CB 371 C CG . TRP A 49 ? 0.1771 0.1922 0.2000 0.0150 0.0153 0.0071 51 TRP A CG 372 C CD1 . TRP A 49 ? 0.2246 0.2417 0.2497 0.0152 0.0160 0.0082 51 TRP A CD1 373 C CD2 . TRP A 49 ? 0.1923 0.2062 0.2128 0.0153 0.0160 0.0068 51 TRP A CD2 374 N NE1 . TRP A 49 ? 0.2222 0.2396 0.2466 0.0156 0.0171 0.0087 51 TRP A NE1 375 C CE2 . TRP A 49 ? 0.1832 0.1987 0.2047 0.0157 0.0172 0.0078 51 TRP A CE2 376 C CE3 . TRP A 49 ? 0.2040 0.2158 0.2216 0.0152 0.0156 0.0059 51 TRP A CE3 377 C CZ2 . TRP A 49 ? 0.2105 0.2255 0.2303 0.0161 0.0181 0.0079 51 TRP A CZ2 378 C CZ3 . TRP A 49 ? 0.1961 0.2073 0.2117 0.0156 0.0165 0.0059 51 TRP A CZ3 379 C CH2 . TRP A 49 ? 0.2266 0.2393 0.2432 0.0161 0.0178 0.0069 51 TRP A CH2 380 N N . ILE A 50 ? 0.2930 0.3022 0.3114 0.0157 0.0145 0.0044 52 ILE A N 381 C CA . ILE A 50 ? 0.3241 0.3309 0.3398 0.0164 0.0152 0.0037 52 ILE A CA 382 C C . ILE A 50 ? 0.3501 0.3556 0.3630 0.0159 0.0148 0.0033 52 ILE A C 383 O O . ILE A 50 ? 0.3219 0.3274 0.3347 0.0151 0.0134 0.0032 52 ILE A O 384 C CB . ILE A 50 ? 0.2784 0.2833 0.2935 0.0166 0.0147 0.0028 52 ILE A CB 385 C CG1 . ILE A 50 ? 0.3031 0.3052 0.3150 0.0174 0.0155 0.0020 52 ILE A CG1 386 C CG2 . ILE A 50 ? 0.2737 0.2780 0.2886 0.0157 0.0129 0.0025 52 ILE A CG2 387 C CD1 . ILE A 50 ? 0.3607 0.3630 0.3733 0.0185 0.0173 0.0023 52 ILE A CD1 388 N N . GLY A 51 ? 0.3211 0.3256 0.3319 0.0165 0.0159 0.0031 53 GLY A N 389 C CA . GLY A 51 ? 0.2670 0.2701 0.2749 0.0162 0.0156 0.0027 53 GLY A CA 390 C C . GLY A 51 ? 0.2833 0.2831 0.2879 0.0166 0.0157 0.0016 53 GLY A C 391 O O . GLY A 51 ? 0.3117 0.3106 0.3160 0.0175 0.0168 0.0013 53 GLY A O 392 N N . PHE A 52 ? 0.2246 0.2228 0.2269 0.0159 0.0145 0.0010 54 PHE A N 393 C CA . PHE A 52 ? 0.1996 0.1945 0.1982 0.0161 0.0145 0.0000 54 PHE A CA 394 C C . PHE A 52 ? 0.2650 0.2591 0.2609 0.0158 0.0146 0.0000 54 PHE A C 395 O O . PHE A 52 ? 0.2605 0.2557 0.2569 0.0149 0.0135 0.0004 54 PHE A O 396 C CB . PHE A 52 ? 0.1965 0.1897 0.1946 0.0154 0.0127 -0.0006 54 PHE A CB 397 C CG . PHE A 52 ? 0.2332 0.2274 0.2342 0.0156 0.0124 -0.0005 54 PHE A CG 398 C CD1 . PHE A 52 ? 0.2343 0.2274 0.2351 0.0166 0.0134 -0.0009 54 PHE A CD1 399 C CD2 . PHE A 52 ? 0.2119 0.2079 0.2156 0.0149 0.0112 0.0000 54 PHE A CD2 400 C CE1 . PHE A 52 ? 0.1904 0.1844 0.1939 0.0167 0.0131 -0.0007 54 PHE A CE1 401 C CE2 . PHE A 52 ? 0.1822 0.1790 0.1884 0.0150 0.0110 0.0002 54 PHE A CE2 402 C CZ . PHE A 52 ? 0.1645 0.1604 0.1707 0.0159 0.0119 -0.0002 54 PHE A CZ 403 N N . GLY A 53 ? 0.2699 0.2621 0.2629 0.0166 0.0158 -0.0004 55 GLY A N 404 C CA . GLY A 53 ? 0.2888 0.2807 0.2795 0.0165 0.0163 -0.0003 55 GLY A CA 405 C C . GLY A 53 ? 0.3156 0.3041 0.3019 0.0170 0.0170 -0.0011 55 GLY A C 406 O O . GLY A 53 ? 0.3313 0.3172 0.3159 0.0173 0.0168 -0.0020 55 GLY A O 407 N N . ASP A 54 ? 0.2124 0.2008 0.1968 0.0172 0.0178 -0.0009 56 ASP A N 408 C CA . ASP A 54 ? 0.2431 0.2283 0.2230 0.0178 0.0187 -0.0016 56 ASP A CA 409 C C . ASP A 54 ? 0.2786 0.2649 0.2584 0.0189 0.0210 -0.0009 56 ASP A C 410 O O . ASP A 54 ? 0.2569 0.2456 0.2399 0.0195 0.0222 -0.0002 56 ASP A O 411 C CB . ASP A 54 ? 0.2453 0.2286 0.2221 0.0167 0.0172 -0.0021 56 ASP A CB 412 C CG . ASP A 54 ? 0.2695 0.2555 0.2482 0.0157 0.0163 -0.0012 56 ASP A CG 413 O OD1 . ASP A 54 ? 0.2467 0.2320 0.2245 0.0146 0.0145 -0.0013 56 ASP A OD1 414 O OD2 . ASP A 54 ? 0.2048 0.1936 0.1858 0.0161 0.0175 -0.0002 56 ASP A OD2 415 N N . SER A 55 ? 0.2789 0.2634 0.2550 0.0190 0.0216 -0.0012 57 SER A N 416 C CA . SER A 55 ? 0.3230 0.3083 0.2987 0.0201 0.0238 -0.0005 57 SER A CA 417 C C . SER A 55 ? 0.3234 0.3128 0.3032 0.0199 0.0241 0.0009 57 SER A C 418 O O . SER A 55 ? 0.3120 0.3031 0.2934 0.0210 0.0260 0.0017 57 SER A O 419 C CB . SER A 55 ? 0.3027 0.2853 0.2736 0.0202 0.0242 -0.0010 57 SER A CB 420 O OG . SER A 55 ? 0.4085 0.3915 0.3788 0.0188 0.0224 -0.0009 57 SER A OG 421 N N . ARG A 56 ? 0.2818 0.2728 0.2633 0.0186 0.0223 0.0012 58 ARG A N 422 C CA . ARG A 56 ? 0.2902 0.2848 0.2750 0.0183 0.0223 0.0024 58 ARG A CA 423 C C . ARG A 56 ? 0.2877 0.2850 0.2770 0.0186 0.0227 0.0031 58 ARG A C 424 O O . ARG A 56 ? 0.2663 0.2665 0.2585 0.0183 0.0228 0.0042 58 ARG A O 425 C CB . ARG A 56 ? 0.2734 0.2686 0.2585 0.0168 0.0203 0.0024 58 ARG A CB 426 C CG . ARG A 56 ? 0.3002 0.2939 0.2819 0.0164 0.0200 0.0022 58 ARG A CG 427 C CD . ARG A 56 ? 0.3019 0.2946 0.2827 0.0150 0.0178 0.0017 58 ARG A CD 428 N NE . ARG A 56 ? 0.3059 0.2979 0.2841 0.0144 0.0174 0.0018 58 ARG A NE 429 C CZ . ARG A 56 ? 0.3163 0.3077 0.2937 0.0132 0.0156 0.0017 58 ARG A CZ 430 N NH1 . ARG A 56 ? 0.3115 0.3027 0.2903 0.0125 0.0140 0.0014 58 ARG A NH1 431 N NH2 . ARG A 56 ? 0.2985 0.2893 0.2737 0.0128 0.0154 0.0018 58 ARG A NH2 432 N N . THR A 57 ? 0.2792 0.2754 0.2688 0.0191 0.0229 0.0026 59 THR A N 433 C CA . THR A 57 ? 0.3447 0.3431 0.3381 0.0196 0.0235 0.0033 59 THR A CA 434 C C . THR A 57 ? 0.3753 0.3719 0.3677 0.0209 0.0251 0.0029 59 THR A C 435 O O . THR A 57 ? 0.3601 0.3579 0.3553 0.0213 0.0254 0.0031 59 THR A O 436 C CB . THR A 57 ? 0.3035 0.3028 0.2994 0.0186 0.0216 0.0031 59 THR A CB 437 O OG1 . THR A 57 ? 0.2643 0.2608 0.2577 0.0182 0.0205 0.0019 59 THR A OG1 438 C CG2 . THR A 57 ? 0.3327 0.3342 0.3303 0.0174 0.0203 0.0037 59 THR A CG2 439 N N . ASP A 58 ? 0.3092 0.3032 0.2978 0.0216 0.0262 0.0023 60 ASP A N 440 C CA . ASP A 58 ? 0.3420 0.3339 0.3292 0.0230 0.0279 0.0018 60 ASP A CA 441 C C . ASP A 58 ? 0.2949 0.2883 0.2832 0.0242 0.0303 0.0029 60 ASP A C 442 O O . ASP A 58 ? 0.2948 0.2875 0.2807 0.0246 0.0313 0.0031 60 ASP A O 443 C CB . ASP A 58 ? 0.3164 0.3041 0.2984 0.0231 0.0277 0.0004 60 ASP A CB 444 C CG . ASP A 58 ? 0.3464 0.3314 0.3265 0.0244 0.0293 -0.0002 60 ASP A CG 445 O OD1 . ASP A 58 ? 0.3513 0.3379 0.3342 0.0254 0.0308 0.0005 60 ASP A OD1 446 O OD2 . ASP A 58 ? 0.3765 0.3578 0.3523 0.0245 0.0291 -0.0014 60 ASP A OD2 447 N N . LEU A 59 ? 0.3270 0.3224 0.3189 0.0249 0.0312 0.0038 61 LEU A N 448 C CA . LEU A 59 ? 0.3522 0.3492 0.3457 0.0261 0.0335 0.0051 61 LEU A CA 449 C C . LEU A 59 ? 0.3486 0.3426 0.3387 0.0276 0.0356 0.0046 61 LEU A C 450 O O . LEU A 59 ? 0.3371 0.3319 0.3277 0.0287 0.0377 0.0056 61 LEU A O 451 C CB . LEU A 59 ? 0.2804 0.2804 0.2788 0.0262 0.0337 0.0062 61 LEU A CB 452 C CG . LEU A 59 ? 0.2980 0.2972 0.2975 0.0267 0.0338 0.0058 61 LEU A CG 453 C CD1 . LEU A 59 ? 0.3091 0.3077 0.3087 0.0284 0.0364 0.0064 61 LEU A CD1 454 C CD2 . LEU A 59 ? 0.2219 0.2240 0.2258 0.0259 0.0325 0.0065 61 LEU A CD2 455 N N . THR A 60 ? 0.2309 0.2213 0.2175 0.0277 0.0352 0.0030 62 THR A N 456 C CA . THR A 60 ? 0.3120 0.2990 0.2949 0.0291 0.0372 0.0024 62 THR A CA 457 C C . THR A 60 ? 0.3300 0.3147 0.3081 0.0291 0.0375 0.0018 62 THR A C 458 O O . THR A 60 ? 0.4079 0.3897 0.3825 0.0303 0.0392 0.0013 62 THR A O 459 C CB . THR A 60 ? 0.2878 0.2716 0.2688 0.0294 0.0367 0.0010 62 THR A CB 460 O OG1 . THR A 60 ? 0.3033 0.2851 0.2817 0.0280 0.0344 -0.0003 62 THR A OG1 461 C CG2 . THR A 60 ? 0.2440 0.2300 0.2296 0.0295 0.0366 0.0015 62 THR A CG2 462 N N . ASN A 61 ? 0.4047 0.3907 0.3829 0.0278 0.0358 0.0020 63 ASN A N 463 C CA . ASN A 61 ? 0.3690 0.3532 0.3431 0.0276 0.0359 0.0017 63 ASN A CA 464 C C . ASN A 61 ? 0.4201 0.4052 0.3941 0.0290 0.0385 0.0028 63 ASN A C 465 O O . ASN A 61 ? 0.3919 0.3806 0.3702 0.0293 0.0394 0.0043 63 ASN A O 466 C CB . ASN A 61 ? 0.3613 0.3475 0.3365 0.0259 0.0337 0.0019 63 ASN A CB 467 C CG . ASN A 61 ? 0.3910 0.3749 0.3616 0.0255 0.0333 0.0013 63 ASN A CG 468 O OD1 . ASN A 61 ? 0.3707 0.3552 0.3404 0.0261 0.0347 0.0020 63 ASN A OD1 469 N ND2 . ASN A 61 ? 0.3988 0.3803 0.3668 0.0244 0.0313 0.0000 63 ASN A ND2 470 N N . ASP A 62 ? 0.5476 0.5296 0.5168 0.0297 0.0398 0.0022 64 ASP A N 471 C CA . ASP A 62 ? 0.5174 0.4998 0.4861 0.0312 0.0425 0.0032 64 ASP A CA 472 C C . ASP A 62 ? 0.5179 0.5040 0.4892 0.0307 0.0424 0.0048 64 ASP A C 473 O O . ASP A 62 ? 0.5026 0.4906 0.4758 0.0318 0.0444 0.0062 64 ASP A O 474 C CB . ASP A 62 ? 0.5985 0.5765 0.5609 0.0319 0.0436 0.0021 64 ASP A CB 475 C CG . ASP A 62 ? 0.7608 0.7349 0.7204 0.0328 0.0442 0.0008 64 ASP A CG 476 O OD1 . ASP A 62 ? 0.7375 0.7126 0.7002 0.0334 0.0449 0.0011 64 ASP A OD1 477 O OD2 . ASP A 62 ? 0.7979 0.7677 0.7519 0.0327 0.0439 -0.0007 64 ASP A OD2 478 N N . GLN A 63 ? 0.4266 0.4139 0.3984 0.0290 0.0400 0.0046 65 GLN A N 479 C CA . GLN A 63 ? 0.4147 0.4052 0.3887 0.0284 0.0397 0.0059 65 GLN A CA 480 C C . GLN A 63 ? 0.3489 0.3435 0.3287 0.0276 0.0386 0.0070 65 GLN A C 481 O O . GLN A 63 ? 0.3717 0.3690 0.3536 0.0268 0.0379 0.0080 65 GLN A O 482 C CB . GLN A 63 ? 0.3919 0.3810 0.3627 0.0271 0.0380 0.0051 65 GLN A CB 483 C CG . GLN A 63 ? 0.4445 0.4292 0.4093 0.0276 0.0386 0.0038 65 GLN A CG 484 C CD . GLN A 63 ? 0.5753 0.5594 0.5372 0.0266 0.0375 0.0037 65 GLN A CD 485 O OE1 . GLN A 63 ? 0.5147 0.5008 0.4775 0.0268 0.0383 0.0049 65 GLN A OE1 486 N NE2 . GLN A 63 ? 0.5277 0.5091 0.4864 0.0255 0.0356 0.0023 65 GLN A NE2 487 N N . PHE A 64 ? 0.3459 0.3408 0.3280 0.0277 0.0383 0.0068 66 PHE A N 488 C CA . PHE A 64 ? 0.3043 0.3029 0.2917 0.0270 0.0373 0.0078 66 PHE A CA 489 C C . PHE A 64 ? 0.3520 0.3537 0.3427 0.0278 0.0390 0.0098 66 PHE A C 490 O O . PHE A 64 ? 0.3700 0.3711 0.3600 0.0293 0.0414 0.0103 66 PHE A O 491 C CB . PHE A 64 ? 0.3204 0.3184 0.3094 0.0272 0.0371 0.0072 66 PHE A CB 492 C CG . PHE A 64 ? 0.3268 0.3281 0.3206 0.0264 0.0357 0.0080 66 PHE A CG 493 C CD1 . PHE A 64 ? 0.2802 0.2816 0.2744 0.0249 0.0333 0.0073 66 PHE A CD1 494 C CD2 . PHE A 64 ? 0.2887 0.2928 0.2866 0.0270 0.0369 0.0096 66 PHE A CD2 495 C CE1 . PHE A 64 ? 0.2668 0.2710 0.2652 0.0241 0.0321 0.0080 66 PHE A CE1 496 C CE2 . PHE A 64 ? 0.2933 0.3002 0.2954 0.0261 0.0356 0.0103 66 PHE A CE2 497 C CZ . PHE A 64 ? 0.3182 0.3251 0.3205 0.0247 0.0333 0.0094 66 PHE A CZ 498 N N . PRO A 65 ? 0.4430 0.4482 0.4374 0.0268 0.0379 0.0109 67 PRO A N 499 C CA . PRO A 65 ? 0.3518 0.3581 0.3476 0.0251 0.0353 0.0105 67 PRO A CA 500 C C . PRO A 65 ? 0.3741 0.3799 0.3675 0.0240 0.0340 0.0101 67 PRO A C 501 O O . PRO A 65 ? 0.3288 0.3351 0.3230 0.0227 0.0319 0.0096 67 PRO A O 502 C CB . PRO A 65 ? 0.2965 0.3067 0.2974 0.0248 0.0352 0.0122 67 PRO A CB 503 C CG . PRO A 65 ? 0.3060 0.3173 0.3075 0.0260 0.0374 0.0137 67 PRO A CG 504 C CD . PRO A 65 ? 0.3446 0.3529 0.3427 0.0274 0.0394 0.0129 67 PRO A CD 505 N N . ALA A 66 ? 0.2892 0.2939 0.2798 0.0247 0.0353 0.0102 68 ALA A N 506 C CA . ALA A 66 ? 0.2771 0.2816 0.2657 0.0237 0.0341 0.0101 68 ALA A CA 507 C C . ALA A 66 ? 0.2327 0.2345 0.2182 0.0227 0.0322 0.0084 68 ALA A C 508 O O . ALA A 66 ? 0.2159 0.2180 0.2008 0.0215 0.0307 0.0082 68 ALA A O 509 C CB . ALA A 66 ? 0.2523 0.2559 0.2382 0.0247 0.0360 0.0105 68 ALA A CB 510 N N . SER A 67 ? 0.2820 0.2813 0.2658 0.0231 0.0323 0.0072 69 SER A N 511 C CA . SER A 67 ? 0.3060 0.3026 0.2870 0.0222 0.0305 0.0057 69 SER A CA 512 C C . SER A 67 ? 0.2523 0.2502 0.2363 0.0211 0.0285 0.0054 69 SER A C 513 O O . SER A 67 ? 0.2475 0.2435 0.2298 0.0203 0.0269 0.0043 69 SER A O 514 C CB . SER A 67 ? 0.2455 0.2384 0.2227 0.0231 0.0315 0.0045 69 SER A CB 515 O OG . SER A 67 ? 0.2910 0.2845 0.2706 0.0241 0.0325 0.0047 69 SER A OG 516 N N . SER A 68 ? 0.2415 0.2426 0.2299 0.0211 0.0287 0.0065 70 SER A N 517 C CA . SER A 68 ? 0.2501 0.2524 0.2416 0.0203 0.0272 0.0064 70 SER A CA 518 C C . SER A 68 ? 0.2594 0.2644 0.2537 0.0191 0.0257 0.0072 70 SER A C 519 O O . SER A 68 ? 0.2116 0.2188 0.2074 0.0190 0.0262 0.0083 70 SER A O 520 C CB . SER A 68 ? 0.2348 0.2384 0.2291 0.0213 0.0285 0.0071 70 SER A CB 521 O OG . SER A 68 ? 0.2316 0.2367 0.2290 0.0206 0.0271 0.0071 70 SER A OG 522 N N . ASP A 69 ? 0.2641 0.2691 0.2593 0.0181 0.0238 0.0066 71 ASP A N 523 C CA . ASP A 69 ? 0.2445 0.2518 0.2423 0.0169 0.0224 0.0072 71 ASP A CA 524 C C . ASP A 69 ? 0.2758 0.2854 0.2776 0.0169 0.0223 0.0079 71 ASP A C 525 O O . ASP A 69 ? 0.2693 0.2807 0.2734 0.0160 0.0212 0.0084 71 ASP A O 526 C CB . ASP A 69 ? 0.2041 0.2100 0.2006 0.0158 0.0204 0.0063 71 ASP A CB 527 C CG . ASP A 69 ? 0.2776 0.2817 0.2706 0.0155 0.0201 0.0058 71 ASP A CG 528 O OD1 . ASP A 69 ? 0.2651 0.2701 0.2577 0.0157 0.0210 0.0065 71 ASP A OD1 529 O OD2 . ASP A 69 ? 0.2974 0.2993 0.2881 0.0150 0.0190 0.0048 71 ASP A OD2 530 N N . VAL A 70 ? 0.2114 0.2209 0.2140 0.0180 0.0236 0.0080 72 VAL A N 531 C CA . VAL A 70 ? 0.1837 0.1954 0.1900 0.0181 0.0238 0.0089 72 VAL A CA 532 C C . VAL A 70 ? 0.2266 0.2391 0.2340 0.0193 0.0258 0.0098 72 VAL A C 533 O O . VAL A 70 ? 0.2281 0.2387 0.2330 0.0204 0.0272 0.0093 72 VAL A O 534 C CB . VAL A 70 ? 0.1932 0.2040 0.2002 0.0178 0.0228 0.0080 72 VAL A CB 535 C CG1 . VAL A 70 ? 0.1753 0.1857 0.1818 0.0166 0.0207 0.0073 72 VAL A CG1 536 C CG2 . VAL A 70 ? 0.1841 0.1923 0.1887 0.0188 0.0237 0.0070 72 VAL A CG2 537 N N . PRO A 71 ? 0.2747 0.2899 0.2857 0.0193 0.0261 0.0111 73 PRO A N 538 C CA . PRO A 71 ? 0.2948 0.3110 0.3073 0.0205 0.0281 0.0122 73 PRO A CA 539 C C . PRO A 71 ? 0.3213 0.3362 0.3339 0.0214 0.0288 0.0116 73 PRO A C 540 O O . PRO A 71 ? 0.3341 0.3476 0.3458 0.0209 0.0276 0.0105 73 PRO A O 541 C CB . PRO A 71 ? 0.2607 0.2801 0.2772 0.0199 0.0277 0.0138 73 PRO A CB 542 C CG . PRO A 71 ? 0.2671 0.2868 0.2844 0.0187 0.0256 0.0132 73 PRO A CG 543 C CD . PRO A 71 ? 0.2686 0.2861 0.2825 0.0182 0.0246 0.0118 73 PRO A CD 544 N N . LEU A 72 ? 0.3186 0.3342 0.3324 0.0226 0.0307 0.0126 74 LEU A N 545 C CA . LEU A 72 ? 0.3144 0.3287 0.3283 0.0235 0.0316 0.0121 74 LEU A CA 546 C C . LEU A 72 ? 0.3290 0.3440 0.3452 0.0229 0.0302 0.0119 74 LEU A C 547 O O . LEU A 72 ? 0.3420 0.3550 0.3568 0.0231 0.0300 0.0107 74 LEU A O 548 C CB . LEU A 72 ? 0.3338 0.3493 0.3496 0.0248 0.0339 0.0136 74 LEU A CB 549 C CG . LEU A 72 ? 0.3432 0.3575 0.3593 0.0260 0.0352 0.0134 74 LEU A CG 550 C CD1 . LEU A 72 ? 0.2818 0.2924 0.2934 0.0266 0.0355 0.0116 74 LEU A CD1 551 C CD2 . LEU A 72 ? 0.3476 0.3634 0.3658 0.0273 0.0375 0.0151 74 LEU A CD2 552 N N . ALA A 73 ? 0.1542 0.1721 0.1739 0.0220 0.0293 0.0130 75 ALA A N 553 C CA . ALA A 73 ? 0.2036 0.2223 0.2257 0.0215 0.0282 0.0130 75 ALA A CA 554 C C . ALA A 73 ? 0.2190 0.2361 0.2394 0.0206 0.0263 0.0115 75 ALA A C 555 O O . ALA A 73 ? 0.2491 0.2656 0.2701 0.0205 0.0258 0.0109 75 ALA A O 556 C CB . ALA A 73 ? 0.1523 0.1742 0.1781 0.0207 0.0275 0.0146 75 ALA A CB 557 N N . VAL A 74 ? 0.1934 0.2099 0.2118 0.0198 0.0254 0.0109 76 VAL A N 558 C CA . VAL A 74 ? 0.2113 0.2262 0.2280 0.0190 0.0237 0.0096 76 VAL A CA 559 C C . VAL A 74 ? 0.2217 0.2335 0.2351 0.0197 0.0242 0.0082 76 VAL A C 560 O O . VAL A 74 ? 0.2260 0.2365 0.2389 0.0194 0.0232 0.0073 76 VAL A O 561 C CB . VAL A 74 ? 0.2571 0.2722 0.2727 0.0180 0.0226 0.0095 76 VAL A CB 562 C CG1 . VAL A 74 ? 0.1809 0.1943 0.1947 0.0172 0.0209 0.0082 76 VAL A CG1 563 C CG2 . VAL A 74 ? 0.1723 0.1903 0.1910 0.0172 0.0220 0.0108 76 VAL A CG2 564 N N . ALA A 75 ? 0.2160 0.2266 0.2272 0.0205 0.0256 0.0082 77 ALA A N 565 C CA . ALA A 75 ? 0.2355 0.2428 0.2431 0.0212 0.0262 0.0069 77 ALA A CA 566 C C . ALA A 75 ? 0.2158 0.2222 0.2242 0.0219 0.0266 0.0065 77 ALA A C 567 O O . ALA A 75 ? 0.1853 0.1893 0.1916 0.0218 0.0259 0.0052 77 ALA A O 568 C CB . ALA A 75 ? 0.2261 0.2325 0.2315 0.0222 0.0280 0.0072 77 ALA A CB 569 N N . LYS A 76 ? 0.2321 0.2406 0.2438 0.0224 0.0275 0.0076 78 LYS A N 570 C CA . LYS A 76 ? 0.2622 0.2701 0.2751 0.0231 0.0279 0.0074 78 LYS A CA 571 C C . LYS A 76 ? 0.2499 0.2576 0.2635 0.0221 0.0260 0.0066 78 LYS A C 572 O O . LYS A 76 ? 0.1998 0.2062 0.2133 0.0225 0.0261 0.0060 78 LYS A O 573 C CB . LYS A 76 ? 0.1854 0.1959 0.2021 0.0236 0.0292 0.0089 78 LYS A CB 574 C CG . LYS A 76 ? 0.2525 0.2633 0.2687 0.0248 0.0313 0.0098 78 LYS A CG 575 C CD . LYS A 76 ? 0.2954 0.3086 0.3155 0.0254 0.0326 0.0114 78 LYS A CD 576 C CE . LYS A 76 ? 0.2831 0.2961 0.3024 0.0268 0.0349 0.0123 78 LYS A CE 577 N NZ . LYS A 76 ? 0.3393 0.3550 0.3628 0.0273 0.0361 0.0141 78 LYS A NZ 578 N N . LYS A 77 ? 0.2381 0.2469 0.2523 0.0209 0.0244 0.0067 79 LYS A N 579 C CA . LYS A 77 ? 0.2690 0.2779 0.2841 0.0200 0.0225 0.0061 79 LYS A CA 580 C C . LYS A 77 ? 0.2678 0.2740 0.2797 0.0195 0.0214 0.0047 79 LYS A C 581 O O . LYS A 77 ? 0.2787 0.2845 0.2909 0.0188 0.0199 0.0042 79 LYS A O 582 C CB . LYS A 77 ? 0.3031 0.3146 0.3207 0.0189 0.0214 0.0070 79 LYS A CB 583 C CG . LYS A 77 ? 0.3425 0.3568 0.3636 0.0191 0.0221 0.0084 79 LYS A CG 584 C CD . LYS A 77 ? 0.4423 0.4572 0.4657 0.0190 0.0215 0.0085 79 LYS A CD 585 C CE . LYS A 77 ? 0.5724 0.5900 0.5994 0.0192 0.0222 0.0100 79 LYS A CE 586 N NZ . LYS A 77 ? 0.5264 0.5462 0.5549 0.0183 0.0216 0.0110 79 LYS A NZ 587 N N . PHE A 78 ? 0.1865 0.1907 0.1950 0.0199 0.0221 0.0042 80 PHE A N 588 C CA . PHE A 78 ? 0.2010 0.2024 0.2062 0.0195 0.0210 0.0030 80 PHE A CA 589 C C . PHE A 78 ? 0.2239 0.2224 0.2268 0.0203 0.0217 0.0020 80 PHE A C 590 O O . PHE A 78 ? 0.2219 0.2200 0.2246 0.0214 0.0234 0.0022 80 PHE A O 591 C CB . PHE A 78 ? 0.2210 0.2218 0.2236 0.0192 0.0211 0.0030 80 PHE A CB 592 C CG . PHE A 78 ? 0.1989 0.2013 0.2025 0.0179 0.0196 0.0033 80 PHE A CG 593 C CD1 . PHE A 78 ? 0.1750 0.1803 0.1814 0.0177 0.0197 0.0045 80 PHE A CD1 594 C CD2 . PHE A 78 ? 0.1679 0.1687 0.1695 0.0171 0.0180 0.0025 80 PHE A CD2 595 C CE1 . PHE A 78 ? 0.1906 0.1972 0.1978 0.0166 0.0184 0.0048 80 PHE A CE1 596 C CE2 . PHE A 78 ? 0.2269 0.2291 0.2295 0.0160 0.0167 0.0029 80 PHE A CE2 597 C CZ . PHE A 78 ? 0.1488 0.1539 0.1542 0.0158 0.0170 0.0040 80 PHE A CZ 598 N N . ARG A 79 ? 0.2756 0.2719 0.2768 0.0198 0.0202 0.0010 81 ARG A N 599 C CA . ARG A 79 ? 0.2742 0.2671 0.2723 0.0204 0.0206 -0.0001 81 ARG A CA 600 C C . ARG A 79 ? 0.2985 0.2892 0.2927 0.0199 0.0201 -0.0007 81 ARG A C 601 O O . ARG A 79 ? 0.2650 0.2550 0.2583 0.0189 0.0183 -0.0011 81 ARG A O 602 C CB . ARG A 79 ? 0.2810 0.2729 0.2799 0.0200 0.0192 -0.0007 81 ARG A CB 603 C CG . ARG A 79 ? 0.2732 0.2673 0.2760 0.0203 0.0195 -0.0001 81 ARG A CG 604 C CD . ARG A 79 ? 0.3362 0.3299 0.3392 0.0217 0.0217 0.0001 81 ARG A CD 605 N NE . ARG A 79 ? 0.3578 0.3540 0.3624 0.0221 0.0230 0.0013 81 ARG A NE 606 C CZ . ARG A 79 ? 0.3121 0.3115 0.3207 0.0221 0.0232 0.0024 81 ARG A CZ 607 N NH1 . ARG A 79 ? 0.2971 0.2974 0.3082 0.0217 0.0222 0.0024 81 ARG A NH1 608 N NH2 . ARG A 79 ? 0.2338 0.2353 0.2438 0.0223 0.0243 0.0035 81 ARG A NH2 609 N N . SER A 80 ? 0.2902 0.2798 0.2820 0.0208 0.0218 -0.0008 82 SER A N 610 C CA . SER A 80 ? 0.2809 0.2686 0.2689 0.0205 0.0215 -0.0012 82 SER A CA 611 C C . SER A 80 ? 0.3281 0.3125 0.3121 0.0215 0.0231 -0.0020 82 SER A C 612 O O . SER A 80 ? 0.2915 0.2759 0.2761 0.0228 0.0249 -0.0018 82 SER A O 613 C CB . SER A 80 ? 0.2447 0.2351 0.2340 0.0202 0.0220 -0.0002 82 SER A CB 614 O OG . SER A 80 ? 0.2685 0.2615 0.2610 0.0191 0.0205 0.0004 82 SER A OG 615 N N . LEU A 81 ? 0.2954 0.2770 0.2753 0.0211 0.0223 -0.0028 83 LEU A N 616 C CA . LEU A 81 ? 0.3154 0.2937 0.2909 0.0220 0.0237 -0.0035 83 LEU A CA 617 C C . LEU A 81 ? 0.3026 0.2798 0.2749 0.0212 0.0230 -0.0037 83 LEU A C 618 O O . LEU A 81 ? 0.3332 0.3103 0.3053 0.0199 0.0209 -0.0039 83 LEU A O 619 C CB . LEU A 81 ? 0.2927 0.2673 0.2656 0.0223 0.0235 -0.0047 83 LEU A CB 620 C CG . LEU A 81 ? 0.3927 0.3637 0.3611 0.0236 0.0254 -0.0054 83 LEU A CG 621 C CD1 . LEU A 81 ? 0.3350 0.3077 0.3053 0.0251 0.0281 -0.0046 83 LEU A CD1 622 C CD2 . LEU A 81 ? 0.2927 0.2597 0.2582 0.0237 0.0248 -0.0068 83 LEU A CD2 623 N N . SER A 82 ? 0.2417 0.2182 0.2117 0.0221 0.0248 -0.0035 84 SER A N 624 C CA . SER A 82 ? 0.2604 0.2355 0.2268 0.0215 0.0243 -0.0037 84 SER A CA 625 C C . SER A 82 ? 0.2518 0.2230 0.2141 0.0206 0.0226 -0.0050 84 SER A C 626 O O . SER A 82 ? 0.2439 0.2119 0.2037 0.0212 0.0229 -0.0059 84 SER A O 627 C CB . SER A 82 ? 0.2821 0.2563 0.2460 0.0228 0.0268 -0.0034 84 SER A CB 628 O OG . SER A 82 ? 0.2908 0.2688 0.2586 0.0234 0.0282 -0.0021 84 SER A OG 629 N N . GLY A 83 ? 0.3592 0.3306 0.3210 0.0192 0.0206 -0.0049 85 GLY A N 630 C CA . GLY A 83 ? 0.3229 0.2908 0.2810 0.0182 0.0187 -0.0059 85 GLY A CA 631 C C . GLY A 83 ? 0.3335 0.3015 0.2937 0.0173 0.0166 -0.0062 85 GLY A C 632 O O . GLY A 83 ? 0.3670 0.3326 0.3248 0.0162 0.0146 -0.0067 85 GLY A O 633 N N . ALA A 84 ? 0.2701 0.2408 0.2347 0.0176 0.0168 -0.0057 86 ALA A N 634 C CA . ALA A 84 ? 0.2645 0.2353 0.2314 0.0169 0.0151 -0.0059 86 ALA A CA 635 C C . ALA A 84 ? 0.2378 0.2110 0.2074 0.0155 0.0131 -0.0052 86 ALA A C 636 O O . ALA A 84 ? 0.2103 0.1858 0.1810 0.0152 0.0133 -0.0044 86 ALA A O 637 C CB . ALA A 84 ? 0.2283 0.2009 0.1986 0.0179 0.0163 -0.0056 86 ALA A CB 638 N N . SER A 85 ? 0.2183 0.1909 0.1888 0.0147 0.0112 -0.0054 87 SER A N 639 C CA . SER A 85 ? 0.2265 0.2015 0.2003 0.0136 0.0095 -0.0047 87 SER A CA 640 C C . SER A 85 ? 0.2628 0.2371 0.2381 0.0132 0.0081 -0.0050 87 SER A C 641 O O . SER A 85 ? 0.2458 0.2169 0.2185 0.0133 0.0077 -0.0058 87 SER A O 642 C CB . SER A 85 ? 0.2379 0.2122 0.2097 0.0124 0.0081 -0.0045 87 SER A CB 643 O OG . SER A 85 ? 0.2104 0.1820 0.1804 0.0115 0.0061 -0.0050 87 SER A OG 644 N N . LEU A 86 ? 0.2474 0.2247 0.2269 0.0127 0.0073 -0.0042 88 LEU A N 645 C CA . LEU A 86 ? 0.2462 0.2231 0.2275 0.0123 0.0059 -0.0043 88 LEU A CA 646 C C . LEU A 86 ? 0.2381 0.2116 0.2163 0.0115 0.0041 -0.0049 88 LEU A C 647 O O . LEU A 86 ? 0.2324 0.2037 0.2096 0.0116 0.0036 -0.0055 88 LEU A O 648 C CB . LEU A 86 ? 0.2532 0.2334 0.2388 0.0117 0.0050 -0.0034 88 LEU A CB 649 C CG . LEU A 86 ? 0.3096 0.2934 0.2991 0.0123 0.0063 -0.0027 88 LEU A CG 650 C CD1 . LEU A 86 ? 0.2377 0.2231 0.2307 0.0118 0.0051 -0.0022 88 LEU A CD1 651 C CD2 . LEU A 86 ? 0.3386 0.3221 0.3280 0.0136 0.0081 -0.0030 88 LEU A CD2 652 N N . MET A 87 ? 0.2535 0.2266 0.2301 0.0105 0.0030 -0.0046 89 MET A N 653 C CA . MET A 87 ? 0.2646 0.2347 0.2386 0.0095 0.0010 -0.0049 89 MET A CA 654 C C . MET A 87 ? 0.2798 0.2458 0.2489 0.0099 0.0014 -0.0061 89 MET A C 655 O O . MET A 87 ? 0.3193 0.2824 0.2867 0.0095 0.0001 -0.0066 89 MET A O 656 C CB . MET A 87 ? 0.2609 0.2317 0.2345 0.0083 -0.0001 -0.0043 89 MET A CB 657 C CG . MET A 87 ? 0.3179 0.2861 0.2894 0.0071 -0.0024 -0.0043 89 MET A CG 658 S SD . MET A 87 ? 0.3844 0.3534 0.3553 0.0058 -0.0035 -0.0034 89 MET A SD 659 C CE . MET A 87 ? 0.2826 0.2476 0.2500 0.0045 -0.0061 -0.0037 89 MET A CE 660 N N . LEU A 88 ? 0.2482 0.2138 0.2150 0.0107 0.0033 -0.0064 90 LEU A N 661 C CA . LEU A 88 ? 0.3116 0.2732 0.2738 0.0114 0.0041 -0.0075 90 LEU A CA 662 C C . LEU A 88 ? 0.2763 0.2365 0.2389 0.0121 0.0044 -0.0081 90 LEU A C 663 O O . LEU A 88 ? 0.3258 0.2822 0.2850 0.0120 0.0037 -0.0090 90 LEU A O 664 C CB . LEU A 88 ? 0.2987 0.2607 0.2591 0.0124 0.0064 -0.0076 90 LEU A CB 665 C CG . LEU A 88 ? 0.3250 0.2869 0.2832 0.0118 0.0062 -0.0073 90 LEU A CG 666 C CD1 . LEU A 88 ? 0.2843 0.2473 0.2418 0.0130 0.0087 -0.0072 90 LEU A CD1 667 C CD2 . LEU A 88 ? 0.3114 0.2688 0.2644 0.0110 0.0048 -0.0081 90 LEU A CD2 668 N N . SER A 89 ? 0.2300 0.1932 0.1968 0.0129 0.0054 -0.0077 91 SER A N 669 C CA . SER A 89 ? 0.2389 0.2010 0.2065 0.0136 0.0058 -0.0082 91 SER A CA 670 C C . SER A 89 ? 0.2912 0.2526 0.2600 0.0125 0.0034 -0.0081 91 SER A C 671 O O . SER A 89 ? 0.2738 0.2330 0.2419 0.0128 0.0030 -0.0088 91 SER A O 672 C CB . SER A 89 ? 0.2265 0.1923 0.1984 0.0146 0.0075 -0.0076 91 SER A CB 673 O OG . SER A 89 ? 0.2599 0.2257 0.2304 0.0158 0.0098 -0.0078 91 SER A OG 674 N N . ALA A 90 ? 0.2363 0.1995 0.2071 0.0114 0.0017 -0.0073 92 ALA A N 675 C CA . ALA A 90 ? 0.2692 0.2321 0.2416 0.0103 -0.0005 -0.0070 92 ALA A CA 676 C C . ALA A 90 ? 0.2819 0.2403 0.2500 0.0096 -0.0021 -0.0078 92 ALA A C 677 O O . ALA A 90 ? 0.3075 0.2642 0.2758 0.0094 -0.0033 -0.0080 92 ALA A O 678 C CB . ALA A 90 ? 0.2609 0.2266 0.2361 0.0093 -0.0018 -0.0059 92 ALA A CB 679 N N . PHE A 91 ? 0.2830 0.2392 0.2469 0.0093 -0.0021 -0.0082 93 PHE A N 680 C CA . PHE A 91 ? 0.3244 0.2762 0.2839 0.0084 -0.0038 -0.0088 93 PHE A CA 681 C C . PHE A 91 ? 0.3602 0.3082 0.3151 0.0094 -0.0024 -0.0101 93 PHE A C 682 O O . PHE A 91 ? 0.3376 0.2817 0.2894 0.0091 -0.0035 -0.0108 93 PHE A O 683 C CB . PHE A 91 ? 0.3598 0.3115 0.3177 0.0072 -0.0051 -0.0083 93 PHE A CB 684 C CG . PHE A 91 ? 0.3794 0.3338 0.3412 0.0060 -0.0069 -0.0070 93 PHE A CG 685 C CD1 . PHE A 91 ? 0.3240 0.2828 0.2901 0.0063 -0.0060 -0.0061 93 PHE A CD1 686 C CD2 . PHE A 91 ? 0.3845 0.3370 0.3458 0.0047 -0.0095 -0.0067 93 PHE A CD2 687 C CE1 . PHE A 91 ? 0.3380 0.2992 0.3077 0.0053 -0.0076 -0.0049 93 PHE A CE1 688 C CE2 . PHE A 91 ? 0.3547 0.3098 0.3199 0.0037 -0.0110 -0.0054 93 PHE A CE2 689 C CZ . PHE A 91 ? 0.3632 0.3226 0.3325 0.0041 -0.0100 -0.0046 93 PHE A CZ 690 N N . GLY A 92 ? 0.2820 0.2312 0.2364 0.0106 0.0001 -0.0103 94 GLY A N 691 C CA . GLY A 92 ? 0.2960 0.2418 0.2459 0.0116 0.0017 -0.0114 94 GLY A CA 692 C C . GLY A 92 ? 0.3320 0.2737 0.2761 0.0108 0.0007 -0.0120 94 GLY A C 693 O O . GLY A 92 ? 0.3750 0.3124 0.3154 0.0107 -0.0001 -0.0129 94 GLY A O 694 N N . PRO A 93 ? 0.3699 0.3127 0.3132 0.0102 0.0005 -0.0115 95 PRO A N 695 C CA . PRO A 93 ? 0.4020 0.3408 0.3397 0.0094 -0.0004 -0.0120 95 PRO A CA 696 C C . PRO A 93 ? 0.4038 0.3396 0.3368 0.0108 0.0019 -0.0131 95 PRO A C 697 O O . PRO A 93 ? 0.3470 0.2851 0.2818 0.0123 0.0044 -0.0130 95 PRO A O 698 C CB . PRO A 93 ? 0.3579 0.2994 0.2967 0.0085 -0.0010 -0.0110 95 PRO A CB 699 C CG . PRO A 93 ? 0.4060 0.3527 0.3513 0.0087 -0.0008 -0.0099 95 PRO A CG 700 C CD . PRO A 93 ? 0.2915 0.2391 0.2388 0.0102 0.0011 -0.0103 95 PRO A CD 701 N N . PRO A 94 ? 0.3384 0.2692 0.2655 0.0104 0.0012 -0.0140 96 PRO A N 702 C CA . PRO A 94 ? 0.3434 0.2707 0.2655 0.0117 0.0033 -0.0152 96 PRO A CA 703 C C . PRO A 94 ? 0.3236 0.2529 0.2455 0.0128 0.0059 -0.0148 96 PRO A C 704 O O . PRO A 94 ? 0.3397 0.2711 0.2621 0.0121 0.0054 -0.0141 96 PRO A O 705 C CB . PRO A 94 ? 0.4279 0.3500 0.3439 0.0105 0.0014 -0.0159 96 PRO A CB 706 C CG . PRO A 94 ? 0.4058 0.3281 0.3240 0.0088 -0.0018 -0.0154 96 PRO A CG 707 C CD . PRO A 94 ? 0.3816 0.3097 0.3064 0.0086 -0.0019 -0.0140 96 PRO A CD 708 N N . GLY A 95 ? 0.3483 0.2772 0.2697 0.0146 0.0087 -0.0153 97 GLY A N 709 C CA . GLY A 95 ? 0.3503 0.2807 0.2711 0.0158 0.0113 -0.0150 97 GLY A CA 710 C C . GLY A 95 ? 0.4210 0.3574 0.3478 0.0161 0.0122 -0.0136 97 GLY A C 711 O O . GLY A 95 ? 0.3586 0.2965 0.2853 0.0171 0.0144 -0.0132 97 GLY A O 712 N N . LYS A 96 ? 0.3896 0.3292 0.3212 0.0152 0.0105 -0.0129 98 LYS A N 713 C CA . LYS A 96 ? 0.4365 0.3816 0.3738 0.0154 0.0113 -0.0117 98 LYS A CA 714 C C . LYS A 96 ? 0.3762 0.3233 0.3173 0.0167 0.0130 -0.0115 98 LYS A C 715 O O . LYS A 96 ? 0.3838 0.3288 0.3245 0.0170 0.0127 -0.0122 98 LYS A O 716 C CB . LYS A 96 ? 0.3468 0.2943 0.2874 0.0137 0.0087 -0.0109 98 LYS A CB 717 C CG . LYS A 96 ? 0.3459 0.2910 0.2829 0.0122 0.0065 -0.0110 98 LYS A CG 718 C CD . LYS A 96 ? 0.3356 0.2805 0.2697 0.0124 0.0077 -0.0108 98 LYS A CD 719 C CE . LYS A 96 ? 0.3940 0.3441 0.3327 0.0125 0.0086 -0.0096 98 LYS A CE 720 N NZ . LYS A 96 ? 0.4707 0.4207 0.4067 0.0125 0.0095 -0.0093 98 LYS A NZ 721 N N . VAL A 97 ? 0.2834 0.2345 0.2281 0.0175 0.0147 -0.0106 99 VAL A N 722 C CA . VAL A 97 ? 0.3505 0.3035 0.2987 0.0188 0.0164 -0.0104 99 VAL A CA 723 C C . VAL A 97 ? 0.3525 0.3075 0.3050 0.0180 0.0146 -0.0101 99 VAL A C 724 O O . VAL A 97 ? 0.2799 0.2371 0.2347 0.0167 0.0128 -0.0094 99 VAL A O 725 C CB . VAL A 97 ? 0.3579 0.3145 0.3087 0.0198 0.0188 -0.0094 99 VAL A CB 726 C CG1 . VAL A 97 ? 0.2471 0.2033 0.1949 0.0197 0.0193 -0.0092 99 VAL A CG1 727 C CG2 . VAL A 97 ? 0.2616 0.2231 0.2185 0.0194 0.0183 -0.0083 99 VAL A CG2 728 N N . ASP A 98 ? 0.4446 0.3987 0.3980 0.0188 0.0152 -0.0105 100 ASP A N 729 C CA . ASP A 98 ? 0.4528 0.4078 0.4095 0.0181 0.0135 -0.0105 100 ASP A CA 730 C C . ASP A 98 ? 0.4420 0.4004 0.4035 0.0191 0.0150 -0.0098 100 ASP A C 731 O O . ASP A 98 ? 0.4546 0.4117 0.4161 0.0201 0.0159 -0.0102 100 ASP A O 732 C CB . ASP A 98 ? 0.4111 0.3614 0.3642 0.0180 0.0125 -0.0116 100 ASP A CB 733 C CG . ASP A 98 ? 0.5225 0.4735 0.4788 0.0174 0.0107 -0.0116 100 ASP A CG 734 O OD1 . ASP A 98 ? 0.5504 0.5053 0.5113 0.0169 0.0100 -0.0106 100 ASP A OD1 735 O OD2 . ASP A 98 ? 0.5114 0.4589 0.4654 0.0174 0.0101 -0.0124 100 ASP A OD2 736 N N . TYR A 99 ? 0.3967 0.3595 0.3623 0.0189 0.0151 -0.0087 101 TYR A N 737 C CA . TYR A 99 ? 0.3758 0.3420 0.3459 0.0197 0.0165 -0.0079 101 TYR A CA 738 C C . TYR A 99 ? 0.3781 0.3460 0.3521 0.0192 0.0150 -0.0076 101 TYR A C 739 O O . TYR A 99 ? 0.3474 0.3161 0.3224 0.0179 0.0130 -0.0074 101 TYR A O 740 C CB . TYR A 99 ? 0.3109 0.2808 0.2832 0.0198 0.0174 -0.0068 101 TYR A CB 741 C CG . TYR A 99 ? 0.3196 0.2931 0.2965 0.0205 0.0188 -0.0058 101 TYR A CG 742 C CD1 . TYR A 99 ? 0.3503 0.3233 0.3275 0.0220 0.0208 -0.0059 101 TYR A CD1 743 C CD2 . TYR A 99 ? 0.3382 0.3156 0.3191 0.0199 0.0182 -0.0048 101 TYR A CD2 744 C CE1 . TYR A 99 ? 0.2866 0.2630 0.2681 0.0226 0.0220 -0.0049 101 TYR A CE1 745 C CE2 . TYR A 99 ? 0.3022 0.2829 0.2871 0.0205 0.0193 -0.0039 101 TYR A CE2 746 C CZ . TYR A 99 ? 0.4031 0.3834 0.3884 0.0218 0.0212 -0.0039 101 TYR A CZ 747 O OH . TYR A 99 ? 0.3857 0.3693 0.3752 0.0223 0.0222 -0.0028 101 TYR A OH 748 N N . LEU A 100 ? 0.3600 0.3286 0.3363 0.0201 0.0162 -0.0075 102 LEU A N 749 C CA . LEU A 100 ? 0.3371 0.3076 0.3174 0.0198 0.0150 -0.0072 102 LEU A CA 750 C C . LEU A 100 ? 0.3041 0.2792 0.2889 0.0196 0.0153 -0.0059 102 LEU A C 751 O O . LEU A 100 ? 0.3185 0.2958 0.3059 0.0205 0.0169 -0.0054 102 LEU A O 752 C CB . LEU A 100 ? 0.2632 0.2324 0.2439 0.0208 0.0161 -0.0076 102 LEU A CB 753 C CG . LEU A 100 ? 0.3701 0.3389 0.3526 0.0203 0.0144 -0.0078 102 LEU A CG 754 C CD1 . LEU A 100 ? 0.3243 0.2912 0.3065 0.0214 0.0156 -0.0083 102 LEU A CD1 755 C CD2 . LEU A 100 ? 0.2948 0.2677 0.2822 0.0197 0.0135 -0.0068 102 LEU A CD2 756 N N . TYR A 101 ? 0.2532 0.2300 0.2391 0.0184 0.0137 -0.0055 103 TYR A N 757 C CA . TYR A 101 ? 0.2688 0.2496 0.2588 0.0181 0.0137 -0.0044 103 TYR A CA 758 C C . TYR A 101 ? 0.2044 0.1869 0.1981 0.0181 0.0133 -0.0040 103 TYR A C 759 O O . TYR A 101 ? 0.2132 0.1945 0.2070 0.0176 0.0117 -0.0044 103 TYR A O 760 C CB . TYR A 101 ? 0.2625 0.2443 0.2525 0.0168 0.0121 -0.0040 103 TYR A CB 761 C CG . TYR A 101 ? 0.2792 0.2606 0.2666 0.0166 0.0125 -0.0040 103 TYR A CG 762 C CD1 . TYR A 101 ? 0.2531 0.2371 0.2420 0.0169 0.0137 -0.0032 103 TYR A CD1 763 C CD2 . TYR A 101 ? 0.2303 0.2085 0.2137 0.0161 0.0116 -0.0047 103 TYR A CD2 764 C CE1 . TYR A 101 ? 0.2396 0.2234 0.2263 0.0167 0.0141 -0.0031 103 TYR A CE1 765 C CE2 . TYR A 101 ? 0.2577 0.2356 0.2387 0.0159 0.0120 -0.0047 103 TYR A CE2 766 C CZ . TYR A 101 ? 0.2937 0.2744 0.2764 0.0163 0.0133 -0.0039 103 TYR A CZ 767 O OH . TYR A 101 ? 0.2854 0.2658 0.2658 0.0161 0.0136 -0.0037 103 TYR A OH 768 N N . GLN A 102 ? 0.1866 0.1719 0.1835 0.0188 0.0146 -0.0033 104 GLN A N 769 C CA . GLN A 102 ? 0.2299 0.2172 0.2305 0.0187 0.0140 -0.0028 104 GLN A CA 770 C C . GLN A 102 ? 0.2491 0.2399 0.2532 0.0190 0.0151 -0.0017 104 GLN A C 771 O O . GLN A 102 ? 0.2823 0.2738 0.2862 0.0198 0.0168 -0.0014 104 GLN A O 772 C CB . GLN A 102 ? 0.2642 0.2495 0.2645 0.0194 0.0144 -0.0034 104 GLN A CB 773 C CG . GLN A 102 ? 0.2750 0.2589 0.2737 0.0207 0.0165 -0.0037 104 GLN A CG 774 C CD . GLN A 102 ? 0.3465 0.3286 0.3453 0.0214 0.0169 -0.0043 104 GLN A CD 775 O OE1 . GLN A 102 ? 0.3643 0.3447 0.3626 0.0209 0.0153 -0.0048 104 GLN A OE1 776 N NE2 . GLN A 102 ? 0.3313 0.3137 0.3309 0.0227 0.0189 -0.0040 104 GLN A NE2 777 N N . GLY A 103 ? 0.2453 0.2385 0.2527 0.0185 0.0142 -0.0011 105 GLY A N 778 C CA . GLY A 103 ? 0.2446 0.2410 0.2553 0.0186 0.0149 -0.0001 105 GLY A CA 779 C C . GLY A 103 ? 0.2285 0.2271 0.2421 0.0178 0.0136 0.0005 105 GLY A C 780 O O . GLY A 103 ? 0.2811 0.2789 0.2944 0.0171 0.0121 0.0002 105 GLY A O 781 N N . CYS A 104 ? 0.2695 0.2709 0.2860 0.0178 0.0142 0.0015 106 CYS A N 782 C CA . CYS A 104 ? 0.3041 0.3077 0.3234 0.0172 0.0132 0.0021 106 CYS A CA 783 C C . CYS A 104 ? 0.3079 0.3140 0.3286 0.0168 0.0135 0.0030 106 CYS A C 784 O O . CYS A 104 ? 0.3363 0.3433 0.3573 0.0174 0.0148 0.0035 106 CYS A O 785 C CB . CYS A 104 ? 0.2878 0.2923 0.3097 0.0176 0.0135 0.0024 106 CYS A CB 786 S SG . CYS A 104 ? 0.3971 0.3989 0.4179 0.0180 0.0129 0.0014 106 CYS A SG 787 N N . GLY A 105 ? 0.2223 0.2295 0.2439 0.0159 0.0123 0.0033 107 GLY A N 788 C CA . GLY A 105 ? 0.1917 0.2011 0.2146 0.0155 0.0124 0.0041 107 GLY A CA 789 C C . GLY A 105 ? 0.2009 0.2107 0.2242 0.0146 0.0109 0.0042 107 GLY A C 790 O O . GLY A 105 ? 0.2283 0.2365 0.2499 0.0142 0.0101 0.0036 107 GLY A O 791 N N . LYS A 106 ? 0.3483 0.3601 0.3739 0.0142 0.0106 0.0049 108 LYS A N 792 C CA . LYS A 106 ? 0.3626 0.3748 0.3886 0.0134 0.0094 0.0050 108 LYS A CA 793 C C . LYS A 106 ? 0.3265 0.3384 0.3510 0.0129 0.0091 0.0050 108 LYS A C 794 O O . LYS A 106 ? 0.2926 0.3038 0.3164 0.0123 0.0081 0.0048 108 LYS A O 795 C CB . LYS A 106 ? 0.3157 0.3299 0.3442 0.0131 0.0093 0.0058 108 LYS A CB 796 C CG . LYS A 106 ? 0.3582 0.3725 0.3875 0.0126 0.0081 0.0059 108 LYS A CG 797 C CD . LYS A 106 ? 0.3301 0.3463 0.3613 0.0122 0.0080 0.0067 108 LYS A CD 798 C CE . LYS A 106 ? 0.3422 0.3583 0.3737 0.0117 0.0070 0.0067 108 LYS A CE 799 N NZ . LYS A 106 ? 0.4272 0.4447 0.4600 0.0113 0.0069 0.0074 108 LYS A NZ 800 N N . GLU A 107 ? 0.2026 0.2152 0.2266 0.0130 0.0100 0.0053 109 GLU A N 801 C CA . GLU A 107 ? 0.2255 0.2377 0.2478 0.0126 0.0099 0.0052 109 GLU A CA 802 C C . GLU A 107 ? 0.2386 0.2489 0.2584 0.0131 0.0104 0.0046 109 GLU A C 803 O O . GLU A 107 ? 0.2395 0.2496 0.2592 0.0139 0.0115 0.0045 109 GLU A O 804 C CB . GLU A 107 ? 0.2110 0.2250 0.2342 0.0124 0.0104 0.0060 109 GLU A CB 805 C CG . GLU A 107 ? 0.2260 0.2415 0.2512 0.0119 0.0098 0.0067 109 GLU A CG 806 C CD . GLU A 107 ? 0.2321 0.2494 0.2583 0.0117 0.0103 0.0075 109 GLU A CD 807 O OE1 . GLU A 107 ? 0.2185 0.2369 0.2462 0.0120 0.0110 0.0081 109 GLU A OE1 808 O OE2 . GLU A 107 ? 0.1980 0.2155 0.2235 0.0111 0.0100 0.0077 109 GLU A OE2 809 N N . LYS A 108 ? 0.2769 0.2858 0.2948 0.0127 0.0097 0.0041 110 LYS A N 810 C CA . LYS A 108 ? 0.2304 0.2372 0.2456 0.0130 0.0100 0.0034 110 LYS A CA 811 C C . LYS A 108 ? 0.2412 0.2477 0.2545 0.0127 0.0101 0.0035 110 LYS A C 812 O O . LYS A 108 ? 0.2437 0.2508 0.2573 0.0119 0.0092 0.0038 110 LYS A O 813 C CB . LYS A 108 ? 0.2271 0.2319 0.2412 0.0128 0.0089 0.0027 110 LYS A CB 814 C CG . LYS A 108 ? 0.2417 0.2465 0.2575 0.0132 0.0088 0.0026 110 LYS A CG 815 C CD . LYS A 108 ? 0.2319 0.2346 0.2466 0.0129 0.0076 0.0020 110 LYS A CD 816 C CE . LYS A 108 ? 0.2443 0.2472 0.2609 0.0133 0.0075 0.0020 110 LYS A CE 817 N NZ . LYS A 108 ? 0.2191 0.2243 0.2386 0.0131 0.0074 0.0027 110 LYS A NZ 818 N N . VAL A 109 ? 0.1842 0.1899 0.1957 0.0132 0.0112 0.0033 111 VAL A N 819 C CA . VAL A 109 ? 0.1673 0.1726 0.1769 0.0129 0.0112 0.0033 111 VAL A CA 820 C C . VAL A 109 ? 0.2265 0.2291 0.2328 0.0131 0.0112 0.0024 111 VAL A C 821 O O . VAL A 109 ? 0.2088 0.2101 0.2139 0.0140 0.0122 0.0020 111 VAL A O 822 C CB . VAL A 109 ? 0.1803 0.1872 0.1904 0.0134 0.0126 0.0040 111 VAL A CB 823 C CG1 . VAL A 109 ? 0.1383 0.1451 0.1468 0.0129 0.0125 0.0041 111 VAL A CG1 824 C CG2 . VAL A 109 ? 0.2055 0.2150 0.2189 0.0132 0.0126 0.0048 111 VAL A CG2 825 N N . PHE A 110 ? 0.2629 0.2643 0.2677 0.0124 0.0100 0.0022 112 PHE A N 826 C CA . PHE A 110 ? 0.2394 0.2380 0.2408 0.0124 0.0097 0.0014 112 PHE A CA 827 C C . PHE A 110 ? 0.2745 0.2730 0.2740 0.0122 0.0101 0.0016 112 PHE A C 828 O O . PHE A 110 ? 0.2726 0.2719 0.2724 0.0114 0.0093 0.0020 112 PHE A O 829 C CB . PHE A 110 ? 0.2152 0.2125 0.2163 0.0116 0.0079 0.0011 112 PHE A CB 830 C CG . PHE A 110 ? 0.2267 0.2237 0.2293 0.0117 0.0075 0.0009 112 PHE A CG 831 C CD1 . PHE A 110 ? 0.2202 0.2194 0.2261 0.0116 0.0071 0.0015 112 PHE A CD1 832 C CD2 . PHE A 110 ? 0.2221 0.2166 0.2228 0.0121 0.0073 0.0001 112 PHE A CD2 833 C CE1 . PHE A 110 ? 0.2261 0.2250 0.2333 0.0117 0.0067 0.0013 112 PHE A CE1 834 C CE2 . PHE A 110 ? 0.1796 0.1739 0.1819 0.0122 0.0068 0.0000 112 PHE A CE2 835 C CZ . PHE A 110 ? 0.2227 0.2193 0.2283 0.0121 0.0065 0.0006 112 PHE A CZ 836 N N . TYR A 111 ? 0.2398 0.2371 0.2371 0.0129 0.0114 0.0013 113 TYR A N 837 C CA . TYR A 111 ? 0.2130 0.2099 0.2081 0.0129 0.0119 0.0014 113 TYR A CA 838 C C . TYR A 111 ? 0.2736 0.2673 0.2646 0.0132 0.0122 0.0005 113 TYR A C 839 O O . TYR A 111 ? 0.2288 0.2220 0.2183 0.0141 0.0137 0.0004 113 TYR A O 840 C CB . TYR A 111 ? 0.2154 0.2147 0.2121 0.0135 0.0135 0.0022 113 TYR A CB 841 C CG . TYR A 111 ? 0.2262 0.2256 0.2211 0.0135 0.0141 0.0025 113 TYR A CG 842 C CD1 . TYR A 111 ? 0.2580 0.2563 0.2509 0.0126 0.0130 0.0023 113 TYR A CD1 843 C CD2 . TYR A 111 ? 0.2120 0.2127 0.2075 0.0143 0.0158 0.0031 113 TYR A CD2 844 C CE1 . TYR A 111 ? 0.2185 0.2169 0.2098 0.0126 0.0136 0.0027 113 TYR A CE1 845 C CE2 . TYR A 111 ? 0.2624 0.2633 0.2565 0.0143 0.0164 0.0035 113 TYR A CE2 846 C CZ . TYR A 111 ? 0.2685 0.2683 0.2604 0.0135 0.0153 0.0033 113 TYR A CZ 847 O OH . TYR A 111 ? 0.2465 0.2465 0.2369 0.0135 0.0160 0.0037 113 TYR A OH 848 N N . GLU A 112 ? 0.2634 0.2550 0.2528 0.0126 0.0107 -0.0001 114 GLU A N 849 C CA . GLU A 112 ? 0.2963 0.2847 0.2814 0.0125 0.0105 -0.0008 114 GLU A CA 850 C C . GLU A 112 ? 0.2916 0.2787 0.2758 0.0113 0.0084 -0.0010 114 GLU A C 851 O O . GLU A 112 ? 0.2939 0.2827 0.2807 0.0105 0.0073 -0.0004 114 GLU A O 852 C CB . GLU A 112 ? 0.3487 0.3344 0.3315 0.0133 0.0111 -0.0017 114 GLU A CB 853 C CG . GLU A 112 ? 0.3433 0.3301 0.3284 0.0143 0.0123 -0.0017 114 GLU A CG 854 C CD . GLU A 112 ? 0.4125 0.3998 0.4002 0.0138 0.0110 -0.0017 114 GLU A CD 855 O OE1 . GLU A 112 ? 0.3495 0.3366 0.3373 0.0128 0.0092 -0.0016 114 GLU A OE1 856 O OE2 . GLU A 112 ? 0.5587 0.5469 0.5484 0.0145 0.0117 -0.0017 114 GLU A OE2 857 N N . GLY A 113 ? 0.2651 0.2490 0.2454 0.0111 0.0079 -0.0017 115 GLY A N 858 C CA . GLY A 113 ? 0.2751 0.2574 0.2539 0.0099 0.0059 -0.0018 115 GLY A CA 859 C C . GLY A 113 ? 0.2254 0.2056 0.2001 0.0097 0.0060 -0.0021 115 GLY A C 860 O O . GLY A 113 ? 0.2281 0.2054 0.1998 0.0090 0.0047 -0.0026 115 GLY A O 861 N N . VAL A 114 ? 0.2493 0.2308 0.2238 0.0102 0.0075 -0.0017 116 VAL A N 862 C CA . VAL A 114 ? 0.2679 0.2480 0.2389 0.0099 0.0076 -0.0018 116 VAL A CA 863 C C . VAL A 114 ? 0.3062 0.2824 0.2724 0.0103 0.0079 -0.0028 116 VAL A C 864 O O . VAL A 114 ? 0.3056 0.2797 0.2683 0.0097 0.0073 -0.0030 116 VAL A O 865 C CB . VAL A 114 ? 0.2477 0.2302 0.2196 0.0105 0.0093 -0.0011 116 VAL A CB 866 C CG1 . VAL A 114 ? 0.2428 0.2252 0.2144 0.0120 0.0115 -0.0014 116 VAL A CG1 867 C CG2 . VAL A 114 ? 0.2630 0.2446 0.2319 0.0100 0.0092 -0.0009 116 VAL A CG2 868 N N . ASN A 115 ? 0.2770 0.2519 0.2428 0.0113 0.0089 -0.0035 117 ASN A N 869 C CA . ASN A 115 ? 0.2790 0.2499 0.2400 0.0118 0.0094 -0.0045 117 ASN A CA 870 C C . ASN A 115 ? 0.3235 0.2912 0.2820 0.0107 0.0072 -0.0051 117 ASN A C 871 O O . ASN A 115 ? 0.2765 0.2405 0.2305 0.0109 0.0072 -0.0060 117 ASN A O 872 C CB . ASN A 115 ? 0.2920 0.2625 0.2533 0.0133 0.0113 -0.0050 117 ASN A CB 873 C CG . ASN A 115 ? 0.3132 0.2857 0.2752 0.0144 0.0136 -0.0044 117 ASN A CG 874 O OD1 . ASN A 115 ? 0.3723 0.3446 0.3322 0.0144 0.0142 -0.0042 117 ASN A OD1 875 N ND2 . ASN A 115 ? 0.2828 0.2574 0.2482 0.0154 0.0149 -0.0041 117 ASN A ND2 876 N N . TRP A 116 ? 0.3250 0.2941 0.2864 0.0097 0.0053 -0.0046 118 TRP A N 877 C CA . TRP A 116 ? 0.3587 0.3254 0.3180 0.0084 0.0030 -0.0048 118 TRP A CA 878 C C . TRP A 116 ? 0.3757 0.3446 0.3370 0.0071 0.0016 -0.0037 118 TRP A C 879 O O . TRP A 116 ? 0.3733 0.3442 0.3383 0.0066 0.0005 -0.0031 118 TRP A O 880 C CB . TRP A 116 ? 0.3211 0.2867 0.2817 0.0082 0.0018 -0.0051 118 TRP A CB 881 C CG . TRP A 116 ? 0.3361 0.2983 0.2937 0.0070 -0.0005 -0.0055 118 TRP A CG 882 C CD1 . TRP A 116 ? 0.3840 0.3447 0.3389 0.0059 -0.0018 -0.0052 118 TRP A CD1 883 C CD2 . TRP A 116 ? 0.3098 0.2696 0.2668 0.0067 -0.0018 -0.0060 118 TRP A CD2 884 N NE1 . TRP A 116 ? 0.4139 0.3715 0.3667 0.0049 -0.0038 -0.0056 118 TRP A NE1 885 C CE2 . TRP A 116 ? 0.3514 0.3083 0.3054 0.0054 -0.0039 -0.0060 118 TRP A CE2 886 C CE3 . TRP A 116 ? 0.2955 0.2554 0.2545 0.0074 -0.0014 -0.0064 118 TRP A CE3 887 C CZ2 . TRP A 116 ? 0.3213 0.2754 0.2741 0.0048 -0.0057 -0.0064 118 TRP A CZ2 888 C CZ3 . TRP A 116 ? 0.3537 0.3107 0.3115 0.0069 -0.0031 -0.0068 118 TRP A CZ3 889 C CH2 . TRP A 116 ? 0.3344 0.2886 0.2891 0.0055 -0.0052 -0.0068 118 TRP A CH2 890 N N . SER A 117 ? 0.3828 0.3512 0.3416 0.0068 0.0018 -0.0036 119 SER A N 891 C CA . SER A 117 ? 0.4061 0.3760 0.3660 0.0056 0.0005 -0.0026 119 SER A CA 892 C C . SER A 117 ? 0.4122 0.3787 0.3674 0.0046 -0.0009 -0.0029 119 SER A C 893 O O . SER A 117 ? 0.4062 0.3692 0.3576 0.0050 -0.0008 -0.0039 119 SER A O 894 C CB . SER A 117 ? 0.3564 0.3294 0.3179 0.0061 0.0021 -0.0020 119 SER A CB 895 O OG . SER A 117 ? 0.3665 0.3421 0.3315 0.0071 0.0035 -0.0018 119 SER A OG 896 N N . PRO A 118 ? 0.3930 0.3602 0.3485 0.0034 -0.0023 -0.0021 120 PRO A N 897 C CA . PRO A 118 ? 0.4057 0.3696 0.3566 0.0024 -0.0036 -0.0024 120 PRO A CA 898 C C . PRO A 118 ? 0.3985 0.3600 0.3446 0.0033 -0.0020 -0.0032 120 PRO A C 899 O O . PRO A 118 ? 0.3597 0.3174 0.3012 0.0029 -0.0028 -0.0039 120 PRO A O 900 C CB . PRO A 118 ? 0.3375 0.3036 0.2902 0.0013 -0.0047 -0.0012 120 PRO A CB 901 C CG . PRO A 118 ? 0.3631 0.3324 0.3212 0.0012 -0.0051 -0.0004 120 PRO A CG 902 C CD . PRO A 118 ? 0.3881 0.3588 0.3481 0.0027 -0.0031 -0.0009 120 PRO A CD 903 N N . GLU A 119 ? 0.4332 0.3970 0.3804 0.0044 0.0003 -0.0031 121 GLU A N 904 C CA . GLU A 119 ? 0.4735 0.4355 0.4168 0.0054 0.0022 -0.0037 121 GLU A CA 905 C C . GLU A 119 ? 0.4668 0.4249 0.4061 0.0062 0.0027 -0.0050 121 GLU A C 906 O O . GLU A 119 ? 0.4605 0.4155 0.3949 0.0065 0.0033 -0.0056 121 GLU A O 907 C CB . GLU A 119 ? 0.4111 0.3766 0.3573 0.0067 0.0045 -0.0032 121 GLU A CB 908 C CG . GLU A 119 ? 0.4017 0.3659 0.3444 0.0079 0.0067 -0.0036 121 GLU A CG 909 C CD . GLU A 119 ? 0.4541 0.4180 0.3943 0.0073 0.0066 -0.0032 121 GLU A CD 910 O OE1 . GLU A 119 ? 0.4540 0.4187 0.3951 0.0059 0.0048 -0.0025 121 GLU A OE1 911 O OE2 . GLU A 119 ? 0.5008 0.4638 0.4381 0.0083 0.0085 -0.0034 121 GLU A OE2 912 N N . ALA A 120 ? 0.3820 0.3400 0.3234 0.0065 0.0025 -0.0053 122 ALA A N 913 C CA . ALA A 120 ? 0.4349 0.3894 0.3731 0.0073 0.0031 -0.0065 122 ALA A CA 914 C C . ALA A 120 ? 0.4312 0.3812 0.3648 0.0062 0.0010 -0.0072 122 ALA A C 915 O O . ALA A 120 ? 0.4803 0.4265 0.4099 0.0068 0.0015 -0.0083 122 ALA A O 916 C CB . ALA A 120 ? 0.3807 0.3367 0.3229 0.0080 0.0034 -0.0066 122 ALA A CB 917 N N . GLY A 121 ? 0.5139 0.4642 0.4481 0.0046 -0.0013 -0.0065 123 GLY A N 918 C CA . GLY A 121 ? 0.4828 0.4290 0.4127 0.0033 -0.0035 -0.0069 123 GLY A CA 919 C C . GLY A 121 ? 0.5151 0.4582 0.4437 0.0032 -0.0045 -0.0077 123 GLY A C 920 O O . GLY A 121 ? 0.5051 0.4438 0.4287 0.0027 -0.0055 -0.0085 123 GLY A O 921 N N . ILE A 122 ? 0.4666 0.4118 0.3996 0.0037 -0.0044 -0.0076 124 ILE A N 922 C CA . ILE A 122 ? 0.4160 0.3587 0.3485 0.0035 -0.0056 -0.0082 124 ILE A CA 923 C C . ILE A 122 ? 0.4191 0.3609 0.3519 0.0017 -0.0087 -0.0076 124 ILE A C 924 O O . ILE A 122 ? 0.3816 0.3266 0.3183 0.0008 -0.0097 -0.0064 124 ILE A O 925 C CB . ILE A 122 ? 0.4150 0.3604 0.3523 0.0046 -0.0045 -0.0082 124 ILE A CB 926 C CG1 . ILE A 122 ? 0.3984 0.3448 0.3356 0.0064 -0.0014 -0.0087 124 ILE A CG1 927 C CG2 . ILE A 122 ? 0.3838 0.3266 0.3207 0.0043 -0.0059 -0.0088 124 ILE A CG2 928 C CD1 . ILE A 122 ? 0.4032 0.3524 0.3451 0.0074 -0.0003 -0.0086 124 ILE A CD1 929 N N . ASP A 123 ? 0.4538 0.3910 0.3824 0.0010 -0.0103 -0.0083 125 ASP A N 930 C CA . ASP A 123 ? 0.4464 0.3823 0.3749 -0.0009 -0.0134 -0.0076 125 ASP A CA 931 C C . ASP A 123 ? 0.5073 0.4423 0.4378 -0.0011 -0.0147 -0.0077 125 ASP A C 932 O O . ASP A 123 ? 0.5297 0.4681 0.4655 -0.0012 -0.0152 -0.0068 125 ASP A O 933 C CB . ASP A 123 ? 0.5369 0.4682 0.4590 -0.0019 -0.0146 -0.0081 125 ASP A CB 934 C CG . ASP A 123 ? 0.5533 0.4832 0.4752 -0.0040 -0.0180 -0.0072 125 ASP A CG 935 O OD1 . ASP A 123 ? 0.6147 0.5464 0.5410 -0.0046 -0.0195 -0.0064 125 ASP A OD1 936 O OD2 . ASP A 123 ? 0.6021 0.5290 0.5194 -0.0050 -0.0192 -0.0073 125 ASP A OD2 937 N N . CYS A 124 ? 0.4526 0.3830 0.3786 -0.0010 -0.0151 -0.0089 126 CYS A N 938 C CA . CYS A 124 ? 0.5027 0.4316 0.4299 -0.0011 -0.0163 -0.0092 126 CYS A CA 939 C C . CYS A 124 ? 0.4954 0.4259 0.4265 -0.0027 -0.0192 -0.0078 126 CYS A C 940 O O . CYS A 124 ? 0.4881 0.4205 0.4234 -0.0025 -0.0194 -0.0074 126 CYS A O 941 C CB . CYS A 124 ? 0.5143 0.4459 0.4452 0.0006 -0.0140 -0.0096 126 CYS A CB 942 S SG . CYS A 124 ? 0.5275 0.4577 0.4548 0.0027 -0.0105 -0.0110 126 CYS A SG 943 N N . PHE A 125 ? 0.4955 0.4250 0.4250 -0.0043 -0.0212 -0.0070 127 PHE A N 944 C CA . PHE A 125 ? 0.5673 0.4981 0.5002 -0.0059 -0.0239 -0.0055 127 PHE A CA 945 C C . PHE A 125 ? 0.5138 0.4502 0.4534 -0.0056 -0.0233 -0.0042 127 PHE A C 946 O O . PHE A 125 ? 0.4421 0.3800 0.3854 -0.0066 -0.0252 -0.0029 127 PHE A O 947 C CB . PHE A 125 ? 0.5549 0.4830 0.4876 -0.0065 -0.0258 -0.0057 127 PHE A CB 948 C CG . PHE A 125 ? 0.6628 0.5850 0.5889 -0.0071 -0.0270 -0.0068 127 PHE A CG 949 C CD1 . PHE A 125 ? 0.6698 0.5896 0.5922 -0.0086 -0.0289 -0.0064 127 PHE A CD1 950 C CD2 . PHE A 125 ? 0.6685 0.5877 0.5922 -0.0062 -0.0264 -0.0082 127 PHE A CD2 951 C CE1 . PHE A 125 ? 0.7439 0.6580 0.6598 -0.0093 -0.0301 -0.0075 127 PHE A CE1 952 C CE2 . PHE A 125 ? 0.7169 0.6304 0.6342 -0.0068 -0.0275 -0.0093 127 PHE A CE2 953 C CZ . PHE A 125 ? 0.7156 0.6265 0.6289 -0.0083 -0.0294 -0.0090 127 PHE A CZ 954 N N . GLY A 126 ? 0.5006 0.4400 0.4420 -0.0042 -0.0207 -0.0044 128 GLY A N 955 C CA . GLY A 126 ? 0.3776 0.3221 0.3250 -0.0039 -0.0200 -0.0033 128 GLY A CA 956 C C . GLY A 126 ? 0.3871 0.3335 0.3366 -0.0053 -0.0217 -0.0017 128 GLY A C 957 O O . GLY A 126 ? 0.4120 0.3575 0.3587 -0.0060 -0.0219 -0.0016 128 GLY A O 958 N N . SER A 127 ? 0.4720 0.4207 0.4263 -0.0058 -0.0228 -0.0005 129 SER A N 959 C CA . SER A 127 ? 0.4024 0.3531 0.3592 -0.0071 -0.0243 0.0011 129 SER A CA 960 C C . SER A 127 ? 0.4111 0.3652 0.3697 -0.0065 -0.0225 0.0015 129 SER A C 961 O O . SER A 127 ? 0.4495 0.4039 0.4071 -0.0074 -0.0231 0.0022 129 SER A O 962 C CB . SER A 127 ? 0.4699 0.4226 0.4318 -0.0075 -0.0257 0.0024 129 SER A CB 963 O OG . SER A 127 ? 0.4374 0.3931 0.4028 -0.0082 -0.0262 0.0040 129 SER A OG 964 N N . ASN A 128 ? 0.3439 0.3006 0.3049 -0.0050 -0.0203 0.0010 130 ASN A N 965 C CA . ASN A 128 ? 0.3000 0.2601 0.2631 -0.0044 -0.0184 0.0013 130 ASN A CA 966 C C . ASN A 128 ? 0.3390 0.3010 0.3040 -0.0027 -0.0161 0.0005 130 ASN A C 967 O O . ASN A 128 ? 0.3335 0.2978 0.3027 -0.0023 -0.0159 0.0010 130 ASN A O 968 C CB . ASN A 128 ? 0.2535 0.2167 0.2211 -0.0052 -0.0194 0.0030 130 ASN A CB 969 C CG . ASN A 128 ? 0.3302 0.2968 0.3000 -0.0046 -0.0177 0.0034 130 ASN A CG 970 O OD1 . ASN A 128 ? 0.3500 0.3171 0.3185 -0.0035 -0.0157 0.0025 130 ASN A OD1 971 N ND2 . ASN A 128 ? 0.3410 0.3100 0.3141 -0.0053 -0.0185 0.0048 130 ASN A ND2 972 N N . TRP A 129 ? 0.3198 0.2805 0.2815 -0.0017 -0.0143 -0.0007 131 TRP A N 973 C CA . TRP A 129 ? 0.2870 0.2489 0.2499 -0.0002 -0.0121 -0.0015 131 TRP A CA 974 C C . TRP A 129 ? 0.2924 0.2587 0.2597 0.0004 -0.0107 -0.0008 131 TRP A C 975 O O . TRP A 129 ? 0.3056 0.2737 0.2756 0.0014 -0.0096 -0.0009 131 TRP A O 976 C CB . TRP A 129 ? 0.2279 0.1873 0.1862 0.0007 -0.0105 -0.0028 131 TRP A CB 977 C CG . TRP A 129 ? 0.3631 0.3181 0.3173 0.0005 -0.0116 -0.0037 131 TRP A CG 978 C CD1 . TRP A 129 ? 0.3539 0.3052 0.3028 -0.0001 -0.0123 -0.0043 131 TRP A CD1 979 C CD2 . TRP A 129 ? 0.2860 0.2397 0.2409 0.0008 -0.0121 -0.0042 131 TRP A CD2 980 N NE1 . TRP A 129 ? 0.3755 0.3230 0.3216 -0.0002 -0.0132 -0.0052 131 TRP A NE1 981 C CE2 . TRP A 129 ? 0.3412 0.2902 0.2911 0.0003 -0.0131 -0.0051 131 TRP A CE2 982 C CE3 . TRP A 129 ? 0.3063 0.2621 0.2655 0.0013 -0.0118 -0.0040 131 TRP A CE3 983 C CZ2 . TRP A 129 ? 0.3439 0.2904 0.2930 0.0004 -0.0138 -0.0058 131 TRP A CZ2 984 C CZ3 . TRP A 129 ? 0.3022 0.2557 0.2608 0.0015 -0.0125 -0.0046 131 TRP A CZ3 985 C CH2 . TRP A 129 ? 0.3495 0.2984 0.3031 0.0010 -0.0135 -0.0055 131 TRP A CH2 986 N N . THR A 130 ? 0.3407 0.3086 0.3085 -0.0002 -0.0109 0.0001 132 THR A N 987 C CA . THR A 130 ? 0.3361 0.3079 0.3080 0.0002 -0.0098 0.0008 132 THR A CA 988 C C . THR A 130 ? 0.3671 0.3408 0.3434 0.0000 -0.0107 0.0016 132 THR A C 989 O O . THR A 130 ? 0.3428 0.3190 0.3222 0.0009 -0.0095 0.0017 132 THR A O 990 C CB . THR A 130 ? 0.3417 0.3146 0.3133 -0.0005 -0.0101 0.0017 132 THR A CB 991 O OG1 . THR A 130 ? 0.3721 0.3433 0.3396 -0.0003 -0.0092 0.0009 132 THR A OG1 992 C CG2 . THR A 130 ? 0.2975 0.2743 0.2732 -0.0001 -0.0089 0.0024 132 THR A CG2 993 N N . GLN A 131 ? 0.4428 0.4154 0.4195 -0.0011 -0.0128 0.0023 133 GLN A N 994 C CA . GLN A 131 ? 0.4002 0.3743 0.3810 -0.0013 -0.0137 0.0032 133 GLN A CA 995 C C . GLN A 131 ? 0.4370 0.4106 0.4185 -0.0004 -0.0131 0.0024 133 GLN A C 996 O O . GLN A 131 ? 0.3676 0.3436 0.3528 0.0002 -0.0124 0.0027 133 GLN A O 997 C CB . GLN A 131 ? 0.4469 0.4194 0.4275 -0.0027 -0.0162 0.0041 133 GLN A CB 998 C CG . GLN A 131 ? 0.4047 0.3783 0.3892 -0.0030 -0.0173 0.0050 133 GLN A CG 999 C CD . GLN A 131 ? 0.5593 0.5367 0.5483 -0.0025 -0.0162 0.0058 133 GLN A CD 1000 O OE1 . GLN A 131 ? 0.6161 0.5949 0.6063 -0.0030 -0.0164 0.0068 133 GLN A OE1 1001 N NE2 . GLN A 131 ? 0.5225 0.5012 0.5137 -0.0015 -0.0151 0.0055 133 GLN A NE2 1002 N N . THR A 132 ? 0.2739 0.2443 0.2518 -0.0003 -0.0133 0.0013 134 THR A N 1003 C CA . THR A 132 ? 0.3021 0.2718 0.2802 0.0007 -0.0126 0.0004 134 THR A CA 1004 C C . THR A 132 ? 0.2986 0.2707 0.2783 0.0020 -0.0102 0.0000 134 THR A C 1005 O O . THR A 132 ? 0.2665 0.2401 0.2490 0.0027 -0.0096 0.0000 134 THR A O 1006 C CB . THR A 132 ? 0.2963 0.2619 0.2695 0.0007 -0.0129 -0.0008 134 THR A CB 1007 O OG1 . THR A 132 ? 0.3380 0.3012 0.3100 -0.0006 -0.0154 -0.0003 134 THR A OG1 1008 C CG2 . THR A 132 ? 0.2565 0.2215 0.2299 0.0018 -0.0118 -0.0017 134 THR A CG2 1009 N N . LYS A 133 ? 0.2634 0.2361 0.2415 0.0024 -0.0089 -0.0002 135 LYS A N 1010 C CA . LYS A 133 ? 0.2444 0.2194 0.2238 0.0035 -0.0067 -0.0005 135 LYS A CA 1011 C C . LYS A 133 ? 0.2625 0.2411 0.2467 0.0036 -0.0064 0.0004 135 LYS A C 1012 O O . LYS A 133 ? 0.2409 0.2210 0.2273 0.0045 -0.0053 0.0003 135 LYS A O 1013 C CB . LYS A 133 ? 0.2140 0.1890 0.1910 0.0037 -0.0056 -0.0007 135 LYS A CB 1014 C CG . LYS A 133 ? 0.2549 0.2321 0.2330 0.0049 -0.0033 -0.0009 135 LYS A CG 1015 C CD . LYS A 133 ? 0.2037 0.1805 0.1789 0.0050 -0.0023 -0.0010 135 LYS A CD 1016 C CE . LYS A 133 ? 0.2354 0.2146 0.2121 0.0061 -0.0001 -0.0010 135 LYS A CE 1017 N NZ . LYS A 133 ? 0.2504 0.2293 0.2245 0.0064 0.0010 -0.0011 135 LYS A NZ 1018 N N . LYS A 134 ? 0.2836 0.2634 0.2693 0.0027 -0.0074 0.0014 136 LYS A N 1019 C CA . LYS A 134 ? 0.2853 0.2682 0.2752 0.0027 -0.0073 0.0024 136 LYS A CA 1020 C C . LYS A 134 ? 0.2746 0.2580 0.2672 0.0029 -0.0079 0.0026 136 LYS A C 1021 O O . LYS A 134 ? 0.2793 0.2648 0.2747 0.0036 -0.0069 0.0027 136 LYS A O 1022 C CB . LYS A 134 ? 0.2876 0.2712 0.2782 0.0017 -0.0085 0.0034 136 LYS A CB 1023 C CG . LYS A 134 ? 0.3297 0.3161 0.3244 0.0016 -0.0085 0.0045 136 LYS A CG 1024 C CD . LYS A 134 ? 0.3851 0.3719 0.3804 0.0005 -0.0096 0.0055 136 LYS A CD 1025 C CE . LYS A 134 ? 0.3610 0.3504 0.3602 0.0005 -0.0095 0.0066 136 LYS A CE 1026 N NZ . LYS A 134 ? 0.3813 0.3713 0.3810 -0.0003 -0.0102 0.0076 136 LYS A NZ 1027 N N . ASP A 135 ? 0.2787 0.2597 0.2702 0.0023 -0.0095 0.0025 137 ASP A N 1028 C CA . ASP A 135 ? 0.3200 0.3012 0.3139 0.0024 -0.0102 0.0028 137 ASP A CA 1029 C C . ASP A 135 ? 0.3659 0.3469 0.3598 0.0035 -0.0089 0.0018 137 ASP A C 1030 O O . ASP A 135 ? 0.3550 0.3376 0.3518 0.0040 -0.0086 0.0021 137 ASP A O 1031 C CB . ASP A 135 ? 0.3726 0.3512 0.3652 0.0014 -0.0124 0.0031 137 ASP A CB 1032 C CG . ASP A 135 ? 0.5087 0.4866 0.5028 0.0016 -0.0131 0.0030 137 ASP A CG 1033 O OD1 . ASP A 135 ? 0.5322 0.5117 0.5297 0.0013 -0.0139 0.0041 137 ASP A OD1 1034 O OD2 . ASP A 135 ? 0.5731 0.5490 0.5651 0.0021 -0.0128 0.0020 137 ASP A OD2 1035 N N . PHE A 136 ? 0.2532 0.2324 0.2437 0.0040 -0.0080 0.0008 138 PHE A N 1036 C CA . PHE A 136 ? 0.2863 0.2651 0.2765 0.0051 -0.0067 -0.0001 138 PHE A CA 1037 C C . PHE A 136 ? 0.2400 0.2220 0.2329 0.0060 -0.0049 0.0000 138 PHE A C 1038 O O . PHE A 136 ? 0.2421 0.2251 0.2373 0.0066 -0.0044 0.0000 138 PHE A O 1039 C CB . PHE A 136 ? 0.2647 0.2407 0.2505 0.0055 -0.0060 -0.0012 138 PHE A CB 1040 C CG . PHE A 136 ? 0.2457 0.2218 0.2313 0.0067 -0.0042 -0.0020 138 PHE A CG 1041 C CD1 . PHE A 136 ? 0.2512 0.2262 0.2373 0.0072 -0.0044 -0.0025 138 PHE A CD1 1042 C CD2 . PHE A 136 ? 0.2208 0.1980 0.2057 0.0075 -0.0023 -0.0023 138 PHE A CD2 1043 C CE1 . PHE A 136 ? 0.2227 0.1977 0.2088 0.0083 -0.0027 -0.0031 138 PHE A CE1 1044 C CE2 . PHE A 136 ? 0.2505 0.2279 0.2355 0.0087 -0.0006 -0.0029 138 PHE A CE2 1045 C CZ . PHE A 136 ? 0.2116 0.1878 0.1971 0.0091 -0.0008 -0.0033 138 PHE A CZ 1046 N N . TYR A 137 ? 0.2028 0.1861 0.1953 0.0060 -0.0040 0.0002 139 TYR A N 1047 C CA . TYR A 137 ? 0.1988 0.1850 0.1937 0.0067 -0.0024 0.0005 139 TYR A CA 1048 C C . TYR A 137 ? 0.2195 0.2081 0.2183 0.0065 -0.0029 0.0014 139 TYR A C 1049 O O . TYR A 137 ? 0.2119 0.2025 0.2129 0.0071 -0.0019 0.0015 139 TYR A O 1050 C CB . TYR A 137 ? 0.2013 0.1882 0.1947 0.0068 -0.0014 0.0005 139 TYR A CB 1051 C CG . TYR A 137 ? 0.1711 0.1563 0.1614 0.0075 -0.0002 -0.0003 139 TYR A CG 1052 C CD1 . TYR A 137 ? 0.1761 0.1624 0.1673 0.0086 0.0016 -0.0006 139 TYR A CD1 1053 C CD2 . TYR A 137 ? 0.2146 0.1969 0.2010 0.0071 -0.0007 -0.0008 139 TYR A CD2 1054 C CE1 . TYR A 137 ? 0.1626 0.1473 0.1510 0.0094 0.0029 -0.0013 139 TYR A CE1 1055 C CE2 . TYR A 137 ? 0.2536 0.2343 0.2370 0.0079 0.0006 -0.0017 139 TYR A CE2 1056 C CZ . TYR A 137 ? 0.2329 0.2148 0.2174 0.0091 0.0024 -0.0019 139 TYR A CZ 1057 O OH . TYR A 137 ? 0.1913 0.1715 0.1729 0.0099 0.0039 -0.0026 139 TYR A OH 1058 N N . SER A 138 ? 0.2525 0.2408 0.2519 0.0056 -0.0044 0.0021 140 SER A N 1059 C CA . SER A 138 ? 0.3042 0.2945 0.3071 0.0054 -0.0049 0.0030 140 SER A CA 1060 C C . SER A 138 ? 0.2668 0.2572 0.2714 0.0059 -0.0048 0.0028 140 SER A C 1061 O O . SER A 138 ? 0.2604 0.2529 0.2677 0.0064 -0.0042 0.0031 140 SER A O 1062 C CB . SER A 138 ? 0.2937 0.2833 0.2970 0.0043 -0.0067 0.0038 140 SER A CB 1063 O OG . SER A 138 ? 0.2911 0.2814 0.2939 0.0038 -0.0067 0.0043 140 SER A OG 1064 N N . ARG A 139 ? 0.2766 0.2647 0.2796 0.0059 -0.0055 0.0022 141 ARG A N 1065 C CA . ARG A 139 ? 0.2851 0.2732 0.2897 0.0064 -0.0056 0.0020 141 ARG A CA 1066 C C . ARG A 139 ? 0.2475 0.2364 0.2524 0.0075 -0.0039 0.0014 141 ARG A C 1067 O O . ARG A 139 ? 0.2741 0.2645 0.2816 0.0079 -0.0035 0.0016 141 ARG A O 1068 C CB . ARG A 139 ? 0.3065 0.2916 0.3091 0.0060 -0.0069 0.0016 141 ARG A CB 1069 C CG . ARG A 139 ? 0.4199 0.4043 0.4232 0.0050 -0.0089 0.0025 141 ARG A CG 1070 C CD . ARG A 139 ? 0.4694 0.4563 0.4767 0.0050 -0.0091 0.0036 141 ARG A CD 1071 N NE . ARG A 139 ? 0.6003 0.5867 0.6086 0.0040 -0.0109 0.0046 141 ARG A NE 1072 C CZ . ARG A 139 ? 0.6365 0.6235 0.6453 0.0033 -0.0115 0.0055 141 ARG A CZ 1073 N NH1 . ARG A 139 ? 0.5345 0.5227 0.5427 0.0034 -0.0105 0.0054 141 ARG A NH1 1074 N NH2 . ARG A 139 ? 0.4760 0.4625 0.4859 0.0025 -0.0132 0.0065 141 ARG A NH2 1075 N N . ILE A 140 ? 0.2332 0.2214 0.2357 0.0079 -0.0028 0.0007 142 ILE A N 1076 C CA . ILE A 140 ? 0.2090 0.1982 0.2118 0.0089 -0.0010 0.0003 142 ILE A CA 1077 C C . ILE A 140 ? 0.2266 0.2190 0.2325 0.0091 -0.0002 0.0010 142 ILE A C 1078 O O . ILE A 140 ? 0.1800 0.1737 0.1879 0.0096 0.0005 0.0011 142 ILE A O 1079 C CB . ILE A 140 ? 0.2498 0.2378 0.2494 0.0092 0.0001 -0.0003 142 ILE A CB 1080 C CG1 . ILE A 140 ? 0.2272 0.2118 0.2234 0.0092 -0.0004 -0.0012 142 ILE A CG1 1081 C CG2 . ILE A 140 ? 0.1493 0.1391 0.1499 0.0102 0.0020 -0.0004 142 ILE A CG2 1082 C CD1 . ILE A 140 ? 0.2049 0.1886 0.2018 0.0099 -0.0002 -0.0017 142 ILE A CD1 1083 N N . TYR A 141 ? 0.2084 0.2019 0.2144 0.0085 -0.0004 0.0015 143 TYR A N 1084 C CA . TYR A 141 ? 0.2234 0.2196 0.2318 0.0086 0.0004 0.0022 143 TYR A CA 1085 C C . TYR A 141 ? 0.1993 0.1968 0.2107 0.0085 -0.0002 0.0027 143 TYR A C 1086 O O . TYR A 141 ? 0.2157 0.2150 0.2291 0.0089 0.0005 0.0030 143 TYR A O 1087 C CB . TYR A 141 ? 0.1943 0.1911 0.2022 0.0080 0.0001 0.0026 143 TYR A CB 1088 C CG . TYR A 141 ? 0.2038 0.1995 0.2088 0.0080 0.0007 0.0022 143 TYR A CG 1089 C CD1 . TYR A 141 ? 0.2184 0.2134 0.2219 0.0088 0.0019 0.0015 143 TYR A CD1 1090 C CD2 . TYR A 141 ? 0.1744 0.1699 0.1782 0.0073 0.0002 0.0025 143 TYR A CD2 1091 C CE1 . TYR A 141 ? 0.2198 0.2138 0.2206 0.0089 0.0026 0.0012 143 TYR A CE1 1092 C CE2 . TYR A 141 ? 0.1913 0.1859 0.1925 0.0074 0.0007 0.0022 143 TYR A CE2 1093 C CZ . TYR A 141 ? 0.2335 0.2274 0.2331 0.0082 0.0020 0.0015 143 TYR A CZ 1094 O OH . TYR A 141 ? 0.2382 0.2310 0.2350 0.0083 0.0026 0.0012 143 TYR A OH 1095 N N . GLU A 142 ? 0.2648 0.2611 0.2763 0.0080 -0.0017 0.0030 144 GLU A N 1096 C CA . GLU A 142 ? 0.3331 0.3304 0.3474 0.0079 -0.0023 0.0037 144 GLU A CA 1097 C C . GLU A 142 ? 0.3235 0.3210 0.3389 0.0086 -0.0018 0.0033 144 GLU A C 1098 O O . GLU A 142 ? 0.3527 0.3521 0.3706 0.0088 -0.0014 0.0037 144 GLU A O 1099 C CB . GLU A 142 ? 0.3197 0.3155 0.3337 0.0071 -0.0040 0.0040 144 GLU A CB 1100 C CG . GLU A 142 ? 0.3755 0.3720 0.3922 0.0070 -0.0048 0.0048 144 GLU A CG 1101 C CD . GLU A 142 ? 0.5270 0.5218 0.5432 0.0063 -0.0065 0.0052 144 GLU A CD 1102 O OE1 . GLU A 142 ? 0.4821 0.4758 0.4963 0.0057 -0.0070 0.0052 144 GLU A OE1 1103 O OE2 . GLU A 142 ? 0.5494 0.5442 0.5674 0.0062 -0.0073 0.0057 144 GLU A OE2 1104 N N . ALA A 143 ? 0.2376 0.2333 0.2513 0.0089 -0.0018 0.0026 145 ALA A N 1105 C CA . ALA A 143 ? 0.2899 0.2857 0.3046 0.0096 -0.0013 0.0022 145 ALA A CA 1106 C C . ALA A 143 ? 0.2711 0.2685 0.2864 0.0103 0.0004 0.0021 145 ALA A C 1107 O O . ALA A 143 ? 0.2483 0.2470 0.2657 0.0107 0.0008 0.0022 145 ALA A O 1108 C CB . ALA A 143 ? 0.2287 0.2218 0.2412 0.0097 -0.0018 0.0015 145 ALA A CB 1109 N N . ALA A 144 ? 0.1823 0.1797 0.1959 0.0104 0.0012 0.0018 146 ALA A N 1110 C CA . ALA A 144 ? 0.2093 0.2082 0.2235 0.0110 0.0027 0.0018 146 ALA A CA 1111 C C . ALA A 144 ? 0.2290 0.2306 0.2458 0.0109 0.0030 0.0025 146 ALA A C 1112 O O . ALA A 144 ? 0.2059 0.2089 0.2241 0.0114 0.0040 0.0027 146 ALA A O 1113 C CB . ALA A 144 ? 0.1557 0.1540 0.1674 0.0111 0.0035 0.0014 146 ALA A CB 1114 N N . ARG A 145 ? 0.2489 0.2510 0.2664 0.0102 0.0022 0.0031 147 ARG A N 1115 C CA . ARG A 145 ? 0.2558 0.2602 0.2754 0.0101 0.0025 0.0037 147 ARG A CA 1116 C C . ARG A 145 ? 0.2460 0.2513 0.2679 0.0105 0.0025 0.0040 147 ARG A C 1117 O O . ARG A 145 ? 0.2656 0.2726 0.2890 0.0106 0.0032 0.0044 147 ARG A O 1118 C CB . ARG A 145 ? 0.2591 0.2637 0.2790 0.0094 0.0017 0.0043 147 ARG A CB 1119 C CG . ARG A 145 ? 0.2893 0.2942 0.3110 0.0092 0.0008 0.0048 147 ARG A CG 1120 C CD . ARG A 145 ? 0.4440 0.4479 0.4652 0.0086 -0.0002 0.0052 147 ARG A CD 1121 N NE . ARG A 145 ? 0.4948 0.4984 0.5174 0.0084 -0.0012 0.0056 147 ARG A NE 1122 C CZ . ARG A 145 ? 0.4427 0.4458 0.4655 0.0079 -0.0022 0.0062 147 ARG A CZ 1123 N NH1 . ARG A 145 ? 0.6114 0.6143 0.6358 0.0078 -0.0030 0.0067 147 ARG A NH1 1124 N NH2 . ARG A 145 ? 0.4352 0.4377 0.4565 0.0074 -0.0024 0.0062 147 ARG A NH2 1125 N N . SER A 146 ? 0.2305 0.2346 0.2526 0.0106 0.0018 0.0038 148 SER A N 1126 C CA . SER A 146 ? 0.2459 0.2509 0.2702 0.0109 0.0017 0.0041 148 SER A CA 1127 C C . SER A 146 ? 0.2840 0.2885 0.3083 0.0115 0.0024 0.0036 148 SER A C 1128 O O . SER A 146 ? 0.2791 0.2841 0.3051 0.0118 0.0023 0.0037 148 SER A O 1129 C CB . SER A 146 ? 0.1913 0.1954 0.2163 0.0105 0.0004 0.0043 148 SER A CB 1130 O OG . SER A 146 ? 0.2572 0.2618 0.2826 0.0100 -0.0001 0.0050 148 SER A OG 1131 N N . SER A 147 ? 0.2392 0.2429 0.2616 0.0118 0.0031 0.0030 149 SER A N 1132 C CA . SER A 147 ? 0.1985 0.2014 0.2206 0.0125 0.0039 0.0025 149 SER A CA 1133 C C . SER A 147 ? 0.2064 0.2107 0.2289 0.0130 0.0053 0.0027 149 SER A C 1134 O O . SER A 147 ? 0.2172 0.2223 0.2390 0.0128 0.0058 0.0028 149 SER A O 1135 C CB . SER A 147 ? 0.2229 0.2232 0.2423 0.0126 0.0036 0.0017 149 SER A CB 1136 O OG . SER A 147 ? 0.2303 0.2296 0.2495 0.0133 0.0041 0.0013 149 SER A OG 1137 N N . THR A 148 ? 0.2519 0.2567 0.2756 0.0136 0.0060 0.0026 150 THR A N 1138 C CA . THR A 148 ? 0.1896 0.1956 0.2138 0.0142 0.0074 0.0028 150 THR A CA 1139 C C . THR A 148 ? 0.2536 0.2577 0.2753 0.0147 0.0083 0.0022 150 THR A C 1140 O O . THR A 148 ? 0.2670 0.2717 0.2880 0.0150 0.0093 0.0023 150 THR A O 1141 C CB . THR A 148 ? 0.2409 0.2481 0.2675 0.0147 0.0079 0.0032 150 THR A CB 1142 O OG1 . THR A 148 ? 0.2556 0.2644 0.2843 0.0142 0.0071 0.0038 150 THR A OG1 1143 C CG2 . THR A 148 ? 0.1858 0.1942 0.2131 0.0152 0.0093 0.0036 150 THR A CG2 1144 N N . CYS A 149 ? 0.2040 0.2058 0.2242 0.0149 0.0079 0.0015 151 CYS A N 1145 C CA . CYS A 149 ? 0.2292 0.2289 0.2468 0.0155 0.0087 0.0008 151 CYS A CA 1146 C C . CYS A 149 ? 0.2570 0.2541 0.2717 0.0151 0.0077 0.0000 151 CYS A C 1147 O O . CYS A 149 ? 0.2495 0.2464 0.2644 0.0143 0.0063 0.0002 151 CYS A O 1148 C CB . CYS A 149 ? 0.2032 0.2022 0.2215 0.0163 0.0094 0.0005 151 CYS A CB 1149 S SG . CYS A 149 ? 0.3203 0.3224 0.3423 0.0168 0.0105 0.0014 151 CYS A SG 1150 N N . MET A 150 ? 0.2950 0.2900 0.3068 0.0155 0.0085 -0.0006 152 MET A N 1151 C CA . MET A 150 ? 0.2786 0.2707 0.2872 0.0151 0.0076 -0.0013 152 MET A CA 1152 C C . MET A 150 ? 0.3089 0.2984 0.3148 0.0160 0.0086 -0.0022 152 MET A C 1153 O O . MET A 150 ? 0.3271 0.3172 0.3328 0.0167 0.0103 -0.0021 152 MET A O 1154 C CB . MET A 150 ? 0.2561 0.2485 0.2632 0.0145 0.0073 -0.0012 152 MET A CB 1155 C CG . MET A 150 ? 0.2233 0.2127 0.2270 0.0140 0.0062 -0.0018 152 MET A CG 1156 S SD . MET A 150 ? 0.3241 0.3139 0.3259 0.0133 0.0061 -0.0016 152 MET A SD 1157 C CE . MET A 150 ? 0.2285 0.2173 0.2278 0.0143 0.0082 -0.0020 152 MET A CE 1158 N N . THR A 151 ? 0.2481 0.2347 0.2519 0.0158 0.0077 -0.0029 153 THR A N 1159 C CA . THR A 151 ? 0.2371 0.2207 0.2375 0.0165 0.0087 -0.0038 153 THR A CA 1160 C C . THR A 151 ? 0.2484 0.2287 0.2454 0.0158 0.0072 -0.0045 153 THR A C 1161 O O . THR A 151 ? 0.2379 0.2178 0.2356 0.0150 0.0054 -0.0044 153 THR A O 1162 C CB . THR A 151 ? 0.2230 0.2061 0.2246 0.0175 0.0095 -0.0041 153 THR A CB 1163 O OG1 . THR A 151 ? 0.2403 0.2201 0.2382 0.0182 0.0105 -0.0050 153 THR A OG1 1164 C CG2 . THR A 151 ? 0.2156 0.1981 0.2186 0.0170 0.0079 -0.0041 153 THR A CG2 1165 N N . LEU A 152 ? 0.2854 0.2632 0.2785 0.0162 0.0080 -0.0052 154 LEU A N 1166 C CA . LEU A 152 ? 0.2881 0.2622 0.2776 0.0157 0.0068 -0.0061 154 LEU A CA 1167 C C . LEU A 152 ? 0.3119 0.2840 0.3015 0.0161 0.0064 -0.0066 154 LEU A C 1168 O O . LEU A 152 ? 0.2629 0.2355 0.2537 0.0171 0.0079 -0.0066 154 LEU A O 1169 C CB . LEU A 152 ? 0.2763 0.2479 0.2614 0.0161 0.0079 -0.0067 154 LEU A CB 1170 C CG . LEU A 152 ? 0.2930 0.2604 0.2737 0.0156 0.0066 -0.0076 154 LEU A CG 1171 C CD1 . LEU A 152 ? 0.2676 0.2352 0.2482 0.0141 0.0045 -0.0072 154 LEU A CD1 1172 C CD2 . LEU A 152 ? 0.3342 0.2990 0.3105 0.0163 0.0081 -0.0084 154 LEU A CD2 1173 N N . VAL A 153 ? 0.2522 0.2222 0.2406 0.0152 0.0044 -0.0069 155 VAL A N 1174 C CA . VAL A 153 ? 0.2353 0.2025 0.2228 0.0154 0.0039 -0.0076 155 VAL A CA 1175 C C . VAL A 153 ? 0.2287 0.1914 0.2108 0.0152 0.0034 -0.0086 155 VAL A C 1176 O O . VAL A 153 ? 0.2780 0.2393 0.2586 0.0140 0.0015 -0.0086 155 VAL A O 1177 C CB . VAL A 153 ? 0.2445 0.2125 0.2348 0.0146 0.0019 -0.0070 155 VAL A CB 1178 C CG1 . VAL A 153 ? 0.1936 0.1584 0.1825 0.0148 0.0011 -0.0078 155 VAL A CG1 1179 C CG2 . VAL A 153 ? 0.2327 0.2049 0.2279 0.0149 0.0025 -0.0061 155 VAL A CG2 1180 N N . ASN A 154 ? 0.2645 0.2252 0.2439 0.0163 0.0052 -0.0094 156 ASN A N 1181 C CA . ASN A 154 ? 0.3240 0.2806 0.2980 0.0161 0.0051 -0.0103 156 ASN A CA 1182 C C . ASN A 154 ? 0.3302 0.2824 0.3012 0.0157 0.0035 -0.0112 156 ASN A C 1183 O O . ASN A 154 ? 0.3398 0.2883 0.3061 0.0154 0.0031 -0.0120 156 ASN A O 1184 C CB . ASN A 154 ? 0.3126 0.2683 0.2844 0.0176 0.0078 -0.0108 156 ASN A CB 1185 C CG . ASN A 154 ? 0.2982 0.2526 0.2704 0.0188 0.0091 -0.0113 156 ASN A CG 1186 O OD1 . ASN A 154 ? 0.3510 0.3069 0.3267 0.0188 0.0086 -0.0110 156 ASN A OD1 1187 N ND2 . ASN A 154 ? 0.3264 0.2778 0.2948 0.0198 0.0108 -0.0121 156 ASN A ND2 1188 N N . SER A 155 ? 0.2780 0.2307 0.2519 0.0155 0.0025 -0.0110 157 SER A N 1189 C CA . SER A 155 ? 0.2717 0.2205 0.2433 0.0150 0.0007 -0.0117 157 SER A CA 1190 C C . SER A 155 ? 0.3391 0.2896 0.3148 0.0144 -0.0009 -0.0110 157 SER A C 1191 O O . SER A 155 ? 0.3531 0.3054 0.3320 0.0152 0.0001 -0.0107 157 SER A O 1192 C CB . SER A 155 ? 0.2610 0.2062 0.2292 0.0162 0.0023 -0.0128 157 SER A CB 1193 O OG . SER A 155 ? 0.3840 0.3248 0.3491 0.0155 0.0005 -0.0136 157 SER A OG 1194 N N . LEU A 156 ? 0.3197 0.2696 0.2953 0.0130 -0.0034 -0.0106 158 LEU A N 1195 C CA . LEU A 156 ? 0.2767 0.2275 0.2556 0.0123 -0.0053 -0.0099 158 LEU A CA 1196 C C . LEU A 156 ? 0.3271 0.2737 0.3036 0.0123 -0.0063 -0.0108 158 LEU A C 1197 O O . LEU A 156 ? 0.2832 0.2256 0.2548 0.0120 -0.0067 -0.0117 158 LEU A O 1198 C CB . LEU A 156 ? 0.3174 0.2693 0.2973 0.0109 -0.0074 -0.0090 158 LEU A CB 1199 C CG . LEU A 156 ? 0.3348 0.2915 0.3193 0.0105 -0.0075 -0.0077 158 LEU A CG 1200 C CD1 . LEU A 156 ? 0.2427 0.2026 0.2291 0.0117 -0.0050 -0.0075 158 LEU A CD1 1201 C CD2 . LEU A 156 ? 0.2620 0.2187 0.2452 0.0093 -0.0089 -0.0071 158 LEU A CD2 1202 N N . ASP A 157 ? 0.2914 0.2389 0.2712 0.0124 -0.0068 -0.0104 159 ASP A N 1203 C CA . ASP A 157 ? 0.3634 0.3069 0.3412 0.0122 -0.0082 -0.0111 159 ASP A CA 1204 C C . ASP A 157 ? 0.3797 0.3215 0.3563 0.0105 -0.0112 -0.0106 159 ASP A C 1205 O O . ASP A 157 ? 0.3601 0.3047 0.3403 0.0097 -0.0125 -0.0094 159 ASP A O 1206 C CB . ASP A 157 ? 0.3584 0.3037 0.3404 0.0127 -0.0081 -0.0107 159 ASP A CB 1207 C CG . ASP A 157 ? 0.3384 0.2847 0.3213 0.0144 -0.0053 -0.0111 159 ASP A CG 1208 O OD1 . ASP A 157 ? 0.3780 0.3252 0.3637 0.0149 -0.0050 -0.0110 159 ASP A OD1 1209 O OD2 . ASP A 157 ? 0.4292 0.3756 0.4100 0.0151 -0.0034 -0.0116 159 ASP A OD2 1210 N N . THR A 158 ? 0.3961 0.3331 0.3676 0.0100 -0.0121 -0.0116 160 THR A N 1211 C CA . THR A 158 ? 0.4290 0.3640 0.3990 0.0083 -0.0150 -0.0112 160 THR A CA 1212 C C . THR A 158 ? 0.4078 0.3379 0.3748 0.0079 -0.0167 -0.0119 160 THR A C 1213 O O . THR A 158 ? 0.4071 0.3346 0.3719 0.0088 -0.0155 -0.0130 160 THR A O 1214 C CB . THR A 158 ? 0.3544 0.2881 0.3204 0.0077 -0.0151 -0.0114 160 THR A CB 1215 O OG1 . THR A 158 ? 0.3588 0.2895 0.3202 0.0087 -0.0131 -0.0128 160 THR A OG1 1216 C CG2 . THR A 158 ? 0.3349 0.2733 0.3042 0.0077 -0.0143 -0.0103 160 THR A CG2 1217 N N . LYS A 159 ? 0.5004 0.4294 0.4676 0.0063 -0.0196 -0.0111 161 LYS A N 1218 C CA . LYS A 159 ? 0.5296 0.4543 0.4945 0.0056 -0.0216 -0.0116 161 LYS A CA 1219 C C . LYS A 159 ? 0.5453 0.4683 0.5089 0.0037 -0.0247 -0.0108 161 LYS A C 1220 O O . LYS A 159 ? 0.5270 0.4532 0.4945 0.0029 -0.0260 -0.0093 161 LYS A O 1221 C CB . LYS A 159 ? 0.5518 0.4782 0.5213 0.0061 -0.0219 -0.0110 161 LYS A CB 1222 C CG . LYS A 159 ? 0.6108 0.5329 0.5784 0.0054 -0.0240 -0.0114 161 LYS A CG 1223 C CD . LYS A 159 ? 0.7418 0.6666 0.7150 0.0051 -0.0254 -0.0101 161 LYS A CD 1224 C CE . LYS A 159 ? 0.6722 0.6005 0.6489 0.0039 -0.0270 -0.0084 161 LYS A CE 1225 N NZ . LYS A 159 ? 0.6646 0.5966 0.6473 0.0039 -0.0277 -0.0069 161 LYS A NZ 1226 N N . ILE A 160 ? 0.5911 0.5088 0.5488 0.0031 -0.0258 -0.0118 162 ILE A N 1227 C CA . ILE A 160 ? 0.6288 0.5442 0.5846 0.0012 -0.0288 -0.0112 162 ILE A CA 1228 C C . ILE A 160 ? 0.6573 0.5689 0.6121 0.0004 -0.0312 -0.0113 162 ILE A C 1229 O O . ILE A 160 ? 0.6817 0.5898 0.6335 0.0012 -0.0304 -0.0127 162 ILE A O 1230 C CB . ILE A 160 ? 0.6451 0.5571 0.5946 0.0008 -0.0286 -0.0121 162 ILE A CB 1231 C CG1 . ILE A 160 ? 0.5506 0.4665 0.5018 0.0007 -0.0277 -0.0113 162 ILE A CG1 1232 C CG2 . ILE A 160 ? 0.7220 0.6291 0.6674 -0.0009 -0.0317 -0.0121 162 ILE A CG2 1233 C CD1 . ILE A 160 ? 0.6979 0.6181 0.6522 0.0024 -0.0245 -0.0114 162 ILE A CD1 1234 N N . SER A 161 ? 0.4645 0.3768 0.4219 -0.0011 -0.0341 -0.0098 163 SER A N 1235 C CA . SER A 161 ? 0.5053 0.4142 0.4621 -0.0020 -0.0366 -0.0097 163 SER A CA 1236 C C . SER A 161 ? 0.5384 0.4408 0.4882 -0.0030 -0.0382 -0.0108 163 SER A C 1237 O O . SER A 161 ? 0.6329 0.5311 0.5800 -0.0029 -0.0388 -0.0118 163 SER A O 1238 C CB . SER A 161 ? 0.5060 0.4176 0.4678 -0.0033 -0.0392 -0.0075 163 SER A CB 1239 O OG . SER A 161 ? 0.6087 0.5204 0.5695 -0.0047 -0.0408 -0.0066 163 SER A OG 1240 N N . SER A 162 ? 0.5608 0.4623 0.5075 -0.0039 -0.0388 -0.0107 164 SER A N 1241 C CA . SER A 162 ? 0.6151 0.5107 0.5552 -0.0051 -0.0406 -0.0116 164 SER A CA 1242 C C . SER A 162 ? 0.6715 0.5625 0.6058 -0.0039 -0.0387 -0.0138 164 SER A C 1243 O O . SER A 162 ? 0.6678 0.5603 0.6018 -0.0022 -0.0355 -0.0147 164 SER A O 1244 C CB . SER A 162 ? 0.5866 0.4827 0.5247 -0.0061 -0.0411 -0.0110 164 SER A CB 1245 O OG . SER A 162 ? 0.6204 0.5106 0.5514 -0.0071 -0.0425 -0.0121 164 SER A OG 1246 N N . THR A 163 ? 0.6335 0.5186 0.5632 -0.0048 -0.0407 -0.0146 165 THR A N 1247 C CA . THR A 163 ? 0.5700 0.4501 0.4939 -0.0037 -0.0391 -0.0167 165 THR A CA 1248 C C . THR A 163 ? 0.5520 0.4271 0.4684 -0.0044 -0.0396 -0.0178 165 THR A C 1249 O O . THR A 163 ? 0.5092 0.3801 0.4202 -0.0034 -0.0380 -0.0196 165 THR A O 1250 C CB . THR A 163 ? 0.5753 0.4517 0.4988 -0.0039 -0.0408 -0.0171 165 THR A CB 1251 O OG1 . THR A 163 ? 0.5849 0.4589 0.5077 -0.0061 -0.0448 -0.0161 165 THR A OG1 1252 C CG2 . THR A 163 ? 0.5022 0.3834 0.4328 -0.0029 -0.0398 -0.0163 165 THR A CG2 1253 N N . THR A 164 ? 0.6145 0.4903 0.5307 -0.0061 -0.0417 -0.0166 166 THR A N 1254 C CA . THR A 164 ? 0.6303 0.5015 0.5395 -0.0070 -0.0425 -0.0174 166 THR A CA 1255 C C . THR A 164 ? 0.6696 0.5441 0.5787 -0.0066 -0.0406 -0.0172 166 THR A C 1256 O O . THR A 164 ? 0.6435 0.5147 0.5467 -0.0066 -0.0399 -0.0183 166 THR A O 1257 C CB . THR A 164 ? 0.6010 0.4696 0.5089 -0.0095 -0.0468 -0.0163 166 THR A CB 1258 O OG1 . THR A 164 ? 0.5917 0.4657 0.5059 -0.0105 -0.0481 -0.0141 166 THR A OG1 1259 C CG2 . THR A 164 ? 0.6021 0.4668 0.5094 -0.0101 -0.0489 -0.0166 166 THR A CG2 1260 N N . ALA A 165 ? 0.6526 0.5337 0.5684 -0.0063 -0.0398 -0.0157 167 ALA A N 1261 C CA . ALA A 165 ? 0.6377 0.5224 0.5543 -0.0059 -0.0380 -0.0153 167 ALA A CA 1262 C C . ALA A 165 ? 0.6685 0.5526 0.5820 -0.0038 -0.0343 -0.0170 167 ALA A C 1263 O O . ALA A 165 ? 0.6160 0.5000 0.5303 -0.0023 -0.0323 -0.0179 167 ALA A O 1264 C CB . ALA A 165 ? 0.6018 0.4935 0.5264 -0.0057 -0.0377 -0.0135 167 ALA A CB 1265 N N . THR A 166 ? 0.5673 0.4510 0.4773 -0.0039 -0.0333 -0.0173 168 THR A N 1266 C CA . THR A 166 ? 0.5577 0.4408 0.4646 -0.0020 -0.0298 -0.0188 168 THR A CA 1267 C C . THR A 166 ? 0.5457 0.4339 0.4554 -0.0014 -0.0278 -0.0180 168 THR A C 1268 O O . THR A 166 ? 0.5494 0.4408 0.4622 -0.0027 -0.0294 -0.0165 168 THR A O 1269 C CB . THR A 166 ? 0.6131 0.4894 0.5113 -0.0024 -0.0301 -0.0203 168 THR A CB 1270 O OG1 . THR A 166 ? 0.6219 0.4976 0.5178 -0.0040 -0.0320 -0.0196 168 THR A OG1 1271 C CG2 . THR A 166 ? 0.6068 0.4776 0.5018 -0.0030 -0.0321 -0.0211 168 THR A CG2 1272 N N . ALA A 167 ? 0.6039 0.4931 0.5127 0.0004 -0.0244 -0.0190 169 ALA A N 1273 C CA . ALA A 167 ? 0.5748 0.4692 0.4869 0.0013 -0.0222 -0.0182 169 ALA A CA 1274 C C . ALA A 167 ? 0.5781 0.4719 0.4868 0.0004 -0.0227 -0.0180 169 ALA A C 1275 O O . ALA A 167 ? 0.6266 0.5161 0.5290 0.0006 -0.0219 -0.0192 169 ALA A O 1276 C CB . ALA A 167 ? 0.4815 0.3769 0.3938 0.0035 -0.0185 -0.0192 169 ALA A CB 1277 N N . GLY A 168 ? 0.5291 0.4272 0.4420 -0.0006 -0.0238 -0.0165 170 GLY A N 1278 C CA . GLY A 168 ? 0.5936 0.4915 0.5039 -0.0017 -0.0245 -0.0160 170 GLY A CA 1279 C C . GLY A 168 ? 0.6221 0.5207 0.5300 -0.0004 -0.0216 -0.0166 170 GLY A C 1280 O O . GLY A 168 ? 0.5837 0.4854 0.4943 0.0013 -0.0187 -0.0169 170 GLY A O 1281 N N . THR A 169 ? 0.6628 0.5587 0.5657 -0.0013 -0.0223 -0.0168 171 THR A N 1282 C CA . THR A 169 ? 0.6288 0.5248 0.5285 -0.0003 -0.0198 -0.0174 171 THR A CA 1283 C C . THR A 169 ? 0.6525 0.5490 0.5509 -0.0019 -0.0214 -0.0165 171 THR A C 1284 O O . THR A 169 ? 0.6010 0.4952 0.4980 -0.0037 -0.0245 -0.0160 171 THR A O 1285 C CB . THR A 169 ? 0.6752 0.5654 0.5680 0.0007 -0.0183 -0.0193 171 THR A CB 1286 O OG1 . THR A 169 ? 0.7745 0.6661 0.6693 0.0028 -0.0154 -0.0200 171 THR A OG1 1287 C CG2 . THR A 169 ? 0.7179 0.6060 0.6051 0.0008 -0.0173 -0.0198 171 THR A CG2 1288 N N . ALA A 170 ? 0.7184 0.6179 0.6175 -0.0012 -0.0194 -0.0162 172 ALA A N 1289 C CA . ALA A 170 ? 0.6998 0.6003 0.5982 -0.0026 -0.0208 -0.0152 172 ALA A CA 1290 C C . ALA A 170 ? 0.6591 0.5591 0.5536 -0.0017 -0.0185 -0.0157 172 ALA A C 1291 O O . ALA A 170 ? 0.6760 0.5781 0.5718 0.0001 -0.0154 -0.0162 172 ALA A O 1292 C CB . ALA A 170 ? 0.6556 0.5621 0.5614 -0.0031 -0.0215 -0.0134 172 ALA A CB 1293 N N . SER A 171 ? 0.6240 0.5213 0.5140 -0.0030 -0.0200 -0.0156 173 SER A N 1294 C CA . SER A 171 ? 0.5999 0.4970 0.4864 -0.0024 -0.0180 -0.0159 173 SER A CA 1295 C C . SER A 171 ? 0.5966 0.5001 0.4889 -0.0018 -0.0165 -0.0147 173 SER A C 1296 O O . SER A 171 ? 0.6184 0.5233 0.5101 -0.0004 -0.0137 -0.0150 173 SER A O 1297 C CB . SER A 171 ? 0.6699 0.5632 0.5509 -0.0042 -0.0203 -0.0158 173 SER A CB 1298 O OG . SER A 171 ? 0.7965 0.6845 0.6736 -0.0053 -0.0227 -0.0165 173 SER A OG 1299 N N . SER A 172 ? 0.5838 0.4910 0.4816 -0.0030 -0.0184 -0.0133 174 SER A N 1300 C CA . SER A 172 ? 0.5972 0.5103 0.5007 -0.0026 -0.0172 -0.0121 174 SER A CA 1301 C C . SER A 172 ? 0.5359 0.4525 0.4438 -0.0007 -0.0145 -0.0123 174 SER A C 1302 O O . SER A 172 ? 0.4897 0.4109 0.4017 0.0000 -0.0130 -0.0115 174 SER A O 1303 C CB . SER A 172 ? 0.5750 0.4909 0.4832 -0.0043 -0.0199 -0.0104 174 SER A CB 1304 O OG . SER A 172 ? 0.6087 0.5256 0.5208 -0.0043 -0.0208 -0.0102 174 SER A OG 1305 N N . CYS A 173 ? 0.4464 0.3605 0.3532 0.0002 -0.0140 -0.0134 175 CYS A N 1306 C CA . CYS A 173 ? 0.4709 0.3878 0.3814 0.0020 -0.0114 -0.0137 175 CYS A CA 1307 C C . CYS A 173 ? 0.4829 0.3964 0.3887 0.0036 -0.0090 -0.0152 175 CYS A C 1308 O O . CYS A 173 ? 0.4737 0.3857 0.3797 0.0045 -0.0084 -0.0160 175 CYS A O 1309 C CB . CYS A 173 ? 0.4691 0.3874 0.3842 0.0018 -0.0127 -0.0133 175 CYS A CB 1310 S SG . CYS A 173 ? 0.4863 0.4102 0.4083 0.0034 -0.0103 -0.0128 175 CYS A SG 1311 N N . SER A 174 ? 0.5849 0.4970 0.4866 0.0041 -0.0075 -0.0155 176 SER A N 1312 C CA . SER A 174 ? 0.5871 0.4963 0.4843 0.0058 -0.0048 -0.0168 176 SER A CA 1313 C C . SER A 174 ? 0.5310 0.4343 0.4234 0.0059 -0.0054 -0.0182 176 SER A C 1314 O O . SER A 174 ? 0.5721 0.4736 0.4625 0.0076 -0.0030 -0.0192 176 SER A O 1315 C CB . SER A 174 ? 0.5008 0.4141 0.4026 0.0077 -0.0018 -0.0166 176 SER A CB 1316 O OG . SER A 174 ? 0.5037 0.4212 0.4080 0.0079 -0.0006 -0.0156 176 SER A OG 1317 N N . SER A 175 ? 0.4893 0.3898 0.3799 0.0041 -0.0086 -0.0182 177 SER A N 1318 C CA . SER A 175 ? 0.5524 0.4473 0.4387 0.0039 -0.0098 -0.0194 177 SER A CA 1319 C C . SER A 175 ? 0.5763 0.4723 0.4663 0.0050 -0.0088 -0.0198 177 SER A C 1320 O O . SER A 175 ? 0.5841 0.4756 0.4705 0.0056 -0.0085 -0.0210 177 SER A O 1321 C CB . SER A 175 ? 0.6297 0.5193 0.5082 0.0046 -0.0083 -0.0208 177 SER A CB 1322 O OG . SER A 175 ? 0.6277 0.5154 0.5021 0.0032 -0.0098 -0.0205 177 SER A OG 1323 N N . SER A 176 ? 0.7246 0.6263 0.6217 0.0054 -0.0083 -0.0187 178 SER A N 1324 C CA . SER A 176 ? 0.7423 0.6454 0.6437 0.0060 -0.0082 -0.0187 178 SER A CA 1325 C C . SER A 176 ? 0.6904 0.5985 0.5985 0.0050 -0.0099 -0.0172 178 SER A C 1326 O O . SER A 176 ? 0.6621 0.5705 0.5704 0.0033 -0.0124 -0.0163 178 SER A O 1327 C CB . SER A 176 ? 0.6778 0.5826 0.5808 0.0083 -0.0046 -0.0192 178 SER A CB 1328 O OG . SER A 176 ? 0.7660 0.6753 0.6717 0.0090 -0.0027 -0.0184 178 SER A OG 1329 N N . TRP A 177 ? 0.5235 0.4357 0.4373 0.0060 -0.0086 -0.0167 179 TRP A N 1330 C CA . TRP A 177 ? 0.4800 0.3967 0.4001 0.0051 -0.0102 -0.0154 179 TRP A CA 1331 C C . TRP A 177 ? 0.4430 0.3649 0.3689 0.0065 -0.0079 -0.0148 179 TRP A C 1332 O O . TRP A 177 ? 0.4644 0.3861 0.3898 0.0082 -0.0054 -0.0155 179 TRP A O 1333 C CB . TRP A 177 ? 0.4092 0.3238 0.3299 0.0040 -0.0128 -0.0153 179 TRP A CB 1334 C CG . TRP A 177 ? 0.4456 0.3642 0.3719 0.0029 -0.0148 -0.0138 179 TRP A CG 1335 C CD1 . TRP A 177 ? 0.4188 0.3404 0.3507 0.0031 -0.0151 -0.0131 179 TRP A CD1 1336 C CD2 . TRP A 177 ? 0.4782 0.3982 0.4053 0.0013 -0.0167 -0.0126 179 TRP A CD2 1337 N NE1 . TRP A 177 ? 0.4350 0.3598 0.3709 0.0018 -0.0170 -0.0117 179 TRP A NE1 1338 C CE2 . TRP A 177 ? 0.5190 0.4429 0.4521 0.0007 -0.0180 -0.0113 179 TRP A CE2 1339 C CE3 . TRP A 177 ? 0.4838 0.4022 0.4070 0.0004 -0.0174 -0.0125 179 TRP A CE3 1340 C CZ2 . TRP A 177 ? 0.5019 0.4279 0.4373 -0.0007 -0.0198 -0.0099 179 TRP A CZ2 1341 C CZ3 . TRP A 177 ? 0.4943 0.4150 0.4199 -0.0011 -0.0193 -0.0111 179 TRP A CZ3 1342 C CH2 . TRP A 177 ? 0.5563 0.4808 0.4880 -0.0016 -0.0205 -0.0098 179 TRP A CH2 1343 N N . MET A 178 ? 0.4922 0.4186 0.4236 0.0058 -0.0089 -0.0135 180 MET A N 1344 C CA . MET A 178 ? 0.4861 0.4174 0.4233 0.0069 -0.0073 -0.0128 180 MET A CA 1345 C C . MET A 178 ? 0.4821 0.4128 0.4206 0.0081 -0.0062 -0.0135 180 MET A C 1346 O O . MET A 178 ? 0.4759 0.4028 0.4121 0.0077 -0.0075 -0.0142 180 MET A O 1347 C CB . MET A 178 ? 0.4556 0.3907 0.3981 0.0057 -0.0091 -0.0114 180 MET A CB 1348 C CG . MET A 178 ? 0.5453 0.4814 0.4873 0.0044 -0.0104 -0.0105 180 MET A CG 1349 S SD . MET A 178 ? 0.6393 0.5788 0.5820 0.0054 -0.0078 -0.0102 180 MET A SD 1350 C CE . MET A 178 ? 0.5874 0.5284 0.5308 0.0036 -0.0099 -0.0090 180 MET A CE 1351 N N . LYS A 179 ? 0.3695 0.3038 0.3118 0.0094 -0.0040 -0.0132 181 LYS A N 1352 C CA . LYS A 179 ? 0.3642 0.2989 0.3091 0.0103 -0.0033 -0.0135 181 LYS A CA 1353 C C . LYS A 179 ? 0.3720 0.3088 0.3214 0.0093 -0.0056 -0.0125 181 LYS A C 1354 O O . LYS A 179 ? 0.4127 0.3487 0.3634 0.0094 -0.0061 -0.0128 181 LYS A O 1355 C CB . LYS A 179 ? 0.4198 0.3580 0.3678 0.0119 -0.0005 -0.0133 181 LYS A CB 1356 C CG . LYS A 179 ? 0.4511 0.3869 0.3951 0.0133 0.0021 -0.0142 181 LYS A CG 1357 C CD . LYS A 179 ? 0.5223 0.4533 0.4626 0.0138 0.0020 -0.0155 181 LYS A CD 1358 C CE . LYS A 179 ? 0.6376 0.5660 0.5737 0.0152 0.0047 -0.0164 181 LYS A CE 1359 N NZ . LYS A 179 ? 0.6692 0.5920 0.6005 0.0155 0.0045 -0.0177 181 LYS A NZ 1360 N N . SER A 180 ? 0.2773 0.2169 0.2291 0.0082 -0.0068 -0.0114 182 SER A N 1361 C CA . SER A 180 ? 0.3094 0.2516 0.2658 0.0072 -0.0087 -0.0103 182 SER A CA 1362 C C . SER A 180 ? 0.2821 0.2255 0.2389 0.0058 -0.0104 -0.0093 182 SER A C 1363 O O . SER A 180 ? 0.2837 0.2293 0.2408 0.0060 -0.0093 -0.0090 182 SER A O 1364 C CB . SER A 180 ? 0.2635 0.2102 0.2254 0.0082 -0.0072 -0.0097 182 SER A CB 1365 O OG . SER A 180 ? 0.2567 0.2055 0.2227 0.0074 -0.0090 -0.0087 182 SER A OG 1366 N N . PRO A 181 ? 0.2603 0.2025 0.2174 0.0044 -0.0131 -0.0088 183 PRO A N 1367 C CA . PRO A 181 ? 0.3261 0.2658 0.2832 0.0040 -0.0147 -0.0090 183 PRO A CA 1368 C C . PRO A 181 ? 0.3592 0.2934 0.3103 0.0040 -0.0151 -0.0103 183 PRO A C 1369 O O . PRO A 181 ? 0.3649 0.2968 0.3116 0.0038 -0.0148 -0.0109 183 PRO A O 1370 C CB . PRO A 181 ? 0.3200 0.2605 0.2791 0.0024 -0.0175 -0.0077 183 PRO A CB 1371 C CG . PRO A 181 ? 0.3333 0.2736 0.2899 0.0017 -0.0177 -0.0074 183 PRO A CG 1372 C CD . PRO A 181 ? 0.3395 0.2825 0.2968 0.0030 -0.0148 -0.0077 183 PRO A CD 1373 N N . LEU A 182 ? 0.4155 0.3475 0.3665 0.0041 -0.0158 -0.0108 184 LEU A N 1374 C CA . LEU A 182 ? 0.4318 0.3582 0.3772 0.0038 -0.0167 -0.0120 184 LEU A CA 1375 C C . LEU A 182 ? 0.4031 0.3271 0.3470 0.0019 -0.0200 -0.0114 184 LEU A C 1376 O O . LEU A 182 ? 0.4448 0.3711 0.3928 0.0010 -0.0218 -0.0101 184 LEU A O 1377 C CB . LEU A 182 ? 0.3751 0.2998 0.3209 0.0048 -0.0162 -0.0128 184 LEU A CB 1378 C CG . LEU A 182 ? 0.4370 0.3627 0.3829 0.0067 -0.0129 -0.0136 184 LEU A CG 1379 C CD1 . LEU A 182 ? 0.3851 0.3088 0.3309 0.0076 -0.0123 -0.0145 184 LEU A CD1 1380 C CD2 . LEU A 182 ? 0.4497 0.3732 0.3905 0.0072 -0.0113 -0.0146 184 LEU A CD2 1381 N N . TRP A 183 ? 0.4710 0.3906 0.4089 0.0013 -0.0207 -0.0122 185 TRP A N 1382 C CA . TRP A 183 ? 0.4635 0.3806 0.3993 -0.0006 -0.0237 -0.0116 185 TRP A CA 1383 C C . TRP A 183 ? 0.4992 0.4107 0.4308 -0.0011 -0.0253 -0.0126 185 TRP A C 1384 O O . TRP A 183 ? 0.5009 0.4084 0.4271 -0.0005 -0.0242 -0.0141 185 TRP A O 1385 C CB . TRP A 183 ? 0.5130 0.4293 0.4450 -0.0011 -0.0235 -0.0117 185 TRP A CB 1386 C CG . TRP A 183 ? 0.5514 0.4652 0.4810 -0.0032 -0.0266 -0.0110 185 TRP A CG 1387 C CD1 . TRP A 183 ? 0.4963 0.4101 0.4283 -0.0046 -0.0295 -0.0098 185 TRP A CD1 1388 C CD2 . TRP A 183 ? 0.5660 0.4769 0.4903 -0.0039 -0.0271 -0.0114 185 TRP A CD2 1389 N NE1 . TRP A 183 ? 0.5638 0.4750 0.4925 -0.0064 -0.0318 -0.0094 185 TRP A NE1 1390 C CE2 . TRP A 183 ? 0.5886 0.4979 0.5124 -0.0060 -0.0304 -0.0103 185 TRP A CE2 1391 C CE3 . TRP A 183 ? 0.5638 0.4734 0.4837 -0.0031 -0.0250 -0.0124 185 TRP A CE3 1392 C CZ2 . TRP A 183 ? 0.5899 0.4964 0.5090 -0.0073 -0.0318 -0.0103 185 TRP A CZ2 1393 C CZ3 . TRP A 183 ? 0.5856 0.4923 0.5008 -0.0044 -0.0263 -0.0124 185 TRP A CZ3 1394 C CH2 . TRP A 183 ? 0.6237 0.5288 0.5384 -0.0064 -0.0297 -0.0114 185 TRP A CH2 1395 N N . TYR A 184 ? 0.5089 0.4201 0.4429 -0.0022 -0.0279 -0.0118 186 TYR A N 1396 C CA . TYR A 184 ? 0.5224 0.4283 0.4527 -0.0029 -0.0298 -0.0125 186 TYR A CA 1397 C C . TYR A 184 ? 0.5671 0.4708 0.4957 -0.0051 -0.0333 -0.0116 186 TYR A C 1398 O O . TYR A 184 ? 0.6037 0.5107 0.5369 -0.0061 -0.0349 -0.0099 186 TYR A O 1399 C CB . TYR A 184 ? 0.5257 0.4327 0.4600 -0.0023 -0.0300 -0.0124 186 TYR A CB 1400 C CG . TYR A 184 ? 0.5733 0.4819 0.5089 -0.0002 -0.0267 -0.0133 186 TYR A CG 1401 C CD1 . TYR A 184 ? 0.5408 0.4452 0.4721 0.0008 -0.0254 -0.0150 186 TYR A CD1 1402 C CD2 . TYR A 184 ? 0.5317 0.4460 0.4731 0.0007 -0.0249 -0.0125 186 TYR A CD2 1403 C CE1 . TYR A 184 ? 0.5366 0.4426 0.4694 0.0027 -0.0224 -0.0158 186 TYR A CE1 1404 C CE2 . TYR A 184 ? 0.5646 0.4805 0.5074 0.0026 -0.0221 -0.0133 186 TYR A CE2 1405 C CZ . TYR A 184 ? 0.6438 0.5556 0.5823 0.0035 -0.0208 -0.0148 186 TYR A CZ 1406 O OH . TYR A 184 ? 0.6363 0.5498 0.5765 0.0054 -0.0179 -0.0155 186 TYR A OH 1407 N N . ALA A 185 ? 0.4404 0.3384 0.3624 -0.0058 -0.0344 -0.0126 187 ALA A N 1408 C CA . ALA A 185 ? 0.5331 0.4286 0.4530 -0.0080 -0.0378 -0.0117 187 ALA A CA 1409 C C . ALA A 185 ? 0.5397 0.4292 0.4552 -0.0089 -0.0401 -0.0125 187 ALA A C 1410 O O . ALA A 185 ? 0.5145 0.4004 0.4260 -0.0079 -0.0387 -0.0142 187 ALA A O 1411 C CB . ALA A 185 ? 0.5499 0.4444 0.4655 -0.0085 -0.0374 -0.0119 187 ALA A CB 1412 N N . GLU A 186 ? 0.5589 0.4475 0.4754 -0.0109 -0.0435 -0.0111 188 GLU A N 1413 C CA . GLU A 186 ? 0.6383 0.5215 0.5514 -0.0121 -0.0462 -0.0115 188 GLU A CA 1414 C C . GLU A 186 ? 0.6901 0.5680 0.5963 -0.0137 -0.0483 -0.0119 188 GLU A C 1415 O O . GLU A 186 ? 0.5961 0.4749 0.5032 -0.0154 -0.0506 -0.0104 188 GLU A O 1416 C CB . GLU A 186 ? 0.6328 0.5182 0.5516 -0.0133 -0.0490 -0.0096 188 GLU A CB 1417 C CG . GLU A 186 ? 0.5910 0.4806 0.5161 -0.0119 -0.0474 -0.0093 188 GLU A CG 1418 C CD . GLU A 186 ? 0.6875 0.5734 0.6107 -0.0112 -0.0474 -0.0106 188 GLU A CD 1419 O OE1 . GLU A 186 ? 0.5367 0.4257 0.4649 -0.0101 -0.0463 -0.0103 188 GLU A OE1 1420 O OE2 . GLU A 186 ? 0.6717 0.5515 0.5884 -0.0117 -0.0483 -0.0120 188 GLU A OE2 1421 N N . SER A 187 ? 0.7982 0.6707 0.6976 -0.0131 -0.0473 -0.0140 189 SER A N 1422 C CA . SER A 187 ? 0.8064 0.6733 0.6982 -0.0144 -0.0490 -0.0147 189 SER A CA 1423 C C . SER A 187 ? 0.8079 0.6720 0.6991 -0.0170 -0.0534 -0.0134 189 SER A C 1424 O O . SER A 187 ? 0.7903 0.6522 0.6779 -0.0186 -0.0554 -0.0129 189 SER A O 1425 C CB . SER A 187 ? 0.7609 0.6219 0.6457 -0.0133 -0.0474 -0.0171 189 SER A CB 1426 O OG . SER A 187 ? 0.8242 0.6878 0.7108 -0.0108 -0.0434 -0.0181 189 SER A OG 1427 N N . SER A 188 ? 0.7204 0.5847 0.6152 -0.0173 -0.0551 -0.0127 190 SER A N 1428 C CA . SER A 188 ? 0.6981 0.5588 0.5916 -0.0196 -0.0593 -0.0118 190 SER A CA 1429 C C . SER A 188 ? 0.7406 0.6054 0.6398 -0.0213 -0.0618 -0.0091 190 SER A C 1430 O O . SER A 188 ? 0.7910 0.6532 0.6892 -0.0234 -0.0654 -0.0080 190 SER A O 1431 C CB . SER A 188 ? 0.6841 0.5429 0.5790 -0.0192 -0.0599 -0.0122 190 SER A CB 1432 O OG . SER A 188 ? 0.7097 0.5746 0.6125 -0.0180 -0.0585 -0.0112 190 SER A OG 1433 N N . VAL A 189 ? 0.6800 0.5513 0.5851 -0.0203 -0.0598 -0.0080 191 VAL A N 1434 C CA . VAL A 189 ? 0.6772 0.5528 0.5880 -0.0217 -0.0618 -0.0054 191 VAL A CA 1435 C C . VAL A 189 ? 0.7398 0.6139 0.6469 -0.0234 -0.0634 -0.0048 191 VAL A C 1436 O O . VAL A 189 ? 0.7595 0.6351 0.6651 -0.0226 -0.0612 -0.0054 191 VAL A O 1437 C CB . VAL A 189 ? 0.7007 0.5836 0.6189 -0.0202 -0.0592 -0.0045 191 VAL A CB 1438 C CG1 . VAL A 189 ? 0.6268 0.5138 0.5500 -0.0216 -0.0611 -0.0019 191 VAL A CG1 1439 C CG2 . VAL A 189 ? 0.6030 0.4878 0.5255 -0.0189 -0.0582 -0.0047 191 VAL A CG2 1440 N N . ASN A 190 ? 0.8978 0.7689 0.8036 -0.0257 -0.0673 -0.0036 192 ASN A N 1441 C CA . ASN A 190 ? 0.9077 0.7770 0.8100 -0.0275 -0.0692 -0.0028 192 ASN A CA 1442 C C . ASN A 190 ? 0.9595 0.8306 0.8663 -0.0296 -0.0728 0.0000 192 ASN A C 1443 O O . ASN A 190 ? 1.0074 0.8757 0.9142 -0.0309 -0.0757 0.0007 192 ASN A O 1444 C CB . ASN A 190 ? 0.9520 0.8137 0.8451 -0.0283 -0.0704 -0.0046 192 ASN A CB 1445 C CG . ASN A 190 ? 1.0291 0.8892 0.9172 -0.0290 -0.0704 -0.0049 192 ASN A CG 1446 O OD1 . ASN A 190 ? 1.0196 0.8844 0.9110 -0.0288 -0.0692 -0.0038 192 ASN A OD1 1447 N ND2 . ASN A 190 ? 1.0552 0.9086 0.9351 -0.0299 -0.0716 -0.0062 192 ASN A ND2 1448 N N . PRO A 191 ? 0.9904 0.8661 0.9011 -0.0300 -0.0726 0.0018 193 PRO A N 1449 C CA . PRO A 191 ? 0.9805 0.8586 0.8963 -0.0319 -0.0758 0.0047 193 PRO A CA 1450 C C . PRO A 191 ? 1.0509 0.9244 0.9626 -0.0347 -0.0799 0.0058 193 PRO A C 1451 O O . PRO A 191 ? 1.0035 0.8794 0.9197 -0.0362 -0.0823 0.0084 193 PRO A O 1452 C CB . PRO A 191 ? 0.9019 0.7860 0.8224 -0.0313 -0.0738 0.0059 193 PRO A CB 1453 C CG . PRO A 191 ? 0.9005 0.7835 0.8158 -0.0300 -0.0708 0.0037 193 PRO A CG 1454 C CD . PRO A 191 ? 0.9134 0.7929 0.8249 -0.0285 -0.0692 0.0012 193 PRO A CD 1455 N N . PRO A 195 ? 1.2850 1.1519 1.1884 -0.0353 -0.0808 0.0040 197 PRO A N 1456 C CA . PRO A 195 ? 1.3198 1.1827 1.2209 -0.0381 -0.0854 0.0055 197 PRO A CA 1457 C C . PRO A 195 ? 1.3252 1.1849 1.2266 -0.0388 -0.0877 0.0055 197 PRO A C 1458 O O . PRO A 195 ? 1.2799 1.1353 1.1784 -0.0410 -0.0915 0.0064 197 PRO A O 1459 C CB . PRO A 195 ? 1.1947 1.0519 1.0867 -0.0388 -0.0856 0.0037 197 PRO A CB 1460 C CG . PRO A 195 ? 1.2970 1.1530 1.1854 -0.0364 -0.0818 0.0008 197 PRO A CG 1461 C CD . PRO A 195 ? 1.2617 1.1251 1.1577 -0.0343 -0.0785 0.0013 197 PRO A CD 1462 N N . GLN A 196 ? 1.1845 1.0459 1.0889 -0.0368 -0.0856 0.0046 198 GLN A N 1463 C CA . GLN A 196 ? 1.1514 1.0112 1.0579 -0.0373 -0.0876 0.0050 198 GLN A CA 1464 C C . GLN A 196 ? 1.0259 0.8892 0.9371 -0.0349 -0.0845 0.0041 198 GLN A C 1465 O O . GLN A 196 ? 0.9730 0.8391 0.8903 -0.0350 -0.0856 0.0057 198 GLN A O 1466 C CB . GLN A 196 ? 1.1400 0.9918 1.0385 -0.0385 -0.0899 0.0034 198 GLN A CB 1467 C CG . GLN A 196 ? 1.1746 1.0219 1.0646 -0.0376 -0.0878 0.0006 198 GLN A CG 1468 C CD . GLN A 196 ? 1.2246 1.0640 1.1070 -0.0385 -0.0898 -0.0011 198 GLN A CD 1469 O OE1 . GLN A 196 ? 1.1814 1.0190 1.0654 -0.0391 -0.0918 -0.0007 198 GLN A OE1 1470 N NE2 . GLN A 196 ? 1.2992 1.1335 1.1733 -0.0386 -0.0892 -0.0030 198 GLN A NE2 1471 N N . VAL A 197 ? 0.8073 0.6705 0.7156 -0.0327 -0.0808 0.0017 199 VAL A N 1472 C CA . VAL A 197 ? 0.8093 0.6747 0.7206 -0.0305 -0.0780 0.0005 199 VAL A CA 1473 C C . VAL A 197 ? 0.7590 0.6315 0.6766 -0.0286 -0.0746 0.0010 199 VAL A C 1474 O O . VAL A 197 ? 0.7311 0.6049 0.6467 -0.0275 -0.0719 -0.0001 199 VAL A O 1475 C CB . VAL A 197 ? 0.8096 0.6698 0.7136 -0.0291 -0.0760 -0.0026 199 VAL A CB 1476 C CG1 . VAL A 197 ? 0.6861 0.5479 0.5932 -0.0271 -0.0736 -0.0037 199 VAL A CG1 1477 C CG2 . VAL A 197 ? 0.7879 0.6405 0.6847 -0.0310 -0.0792 -0.0033 199 VAL A CG2 1478 N N . CYS A 198 ? 0.8857 0.7628 0.8108 -0.0282 -0.0747 0.0026 200 CYS A N 1479 C CA . CYS A 198 ? 0.9194 0.8033 0.8508 -0.0267 -0.0719 0.0034 200 CYS A CA 1480 C C . CYS A 198 ? 0.8927 0.7787 0.8254 -0.0241 -0.0681 0.0016 200 CYS A C 1481 O O . CYS A 198 ? 0.7930 0.6832 0.7281 -0.0226 -0.0652 0.0014 200 CYS A O 1482 C CB . CYS A 198 ? 0.9004 0.7885 0.8394 -0.0276 -0.0739 0.0063 200 CYS A CB 1483 S SG . CYS A 198 ? 1.1111 1.0011 1.0518 -0.0296 -0.0762 0.0089 200 CYS A SG 1484 N N . GLY A 199 ? 0.7593 0.6421 0.6904 -0.0236 -0.0683 0.0004 201 GLY A N 1485 C CA . GLY A 199 ? 0.6084 0.4926 0.5403 -0.0212 -0.0648 -0.0014 201 GLY A CA 1486 C C . GLY A 199 ? 0.6636 0.5532 0.6034 -0.0203 -0.0641 0.0000 201 GLY A C 1487 O O . GLY A 199 ? 0.6741 0.5664 0.6189 -0.0214 -0.0662 0.0023 201 GLY A O 1488 N N . THR A 200 ? 0.5953 0.4864 0.5362 -0.0183 -0.0611 -0.0014 202 THR A N 1489 C CA . THR A 200 ? 0.5423 0.4382 0.4903 -0.0172 -0.0602 -0.0004 202 THR A CA 1490 C C . THR A 200 ? 0.5296 0.4310 0.4812 -0.0156 -0.0568 -0.0003 202 THR A C 1491 O O . THR A 200 ? 0.5060 0.4070 0.4542 -0.0145 -0.0543 -0.0020 202 THR A O 1492 C CB . THR A 200 ? 0.5352 0.4289 0.4826 -0.0161 -0.0594 -0.0018 202 THR A CB 1493 O OG1 . THR A 200 ? 0.5997 0.4879 0.5435 -0.0177 -0.0626 -0.0019 202 THR A OG1 1494 C CG2 . THR A 200 ? 0.5061 0.4048 0.4608 -0.0152 -0.0586 -0.0006 202 THR A CG2 1495 N N . GLU A 201 ? 0.4862 0.3929 0.4447 -0.0155 -0.0569 0.0016 203 GLU A N 1496 C CA . GLU A 201 ? 0.4948 0.4069 0.4573 -0.0140 -0.0539 0.0018 203 GLU A CA 1497 C C . GLU A 201 ? 0.4565 0.3688 0.4177 -0.0120 -0.0506 -0.0003 203 GLU A C 1498 O O . GLU A 201 ? 0.4519 0.3629 0.4134 -0.0113 -0.0505 -0.0010 203 GLU A O 1499 C CB . GLU A 201 ? 0.4987 0.4156 0.4686 -0.0141 -0.0545 0.0040 203 GLU A CB 1500 C CG . GLU A 201 ? 0.5096 0.4314 0.4839 -0.0121 -0.0513 0.0038 203 GLU A CG 1501 C CD . GLU A 201 ? 0.4834 0.4101 0.4646 -0.0123 -0.0518 0.0062 203 GLU A CD 1502 O OE1 . GLU A 201 ? 0.4848 0.4135 0.4675 -0.0130 -0.0524 0.0076 203 GLU A OE1 1503 O OE2 . GLU A 201 ? 0.4941 0.4226 0.4792 -0.0116 -0.0516 0.0066 203 GLU A OE2 1504 N N . GLN A 202 ? 0.5121 0.4260 0.4718 -0.0110 -0.0480 -0.0012 204 GLN A N 1505 C CA . GLN A 202 ? 0.4678 0.3820 0.4263 -0.0090 -0.0448 -0.0031 204 GLN A CA 1506 C C . GLN A 202 ? 0.4517 0.3713 0.4164 -0.0076 -0.0428 -0.0024 204 GLN A C 1507 O O . GLN A 202 ? 0.4587 0.3826 0.4280 -0.0079 -0.0429 -0.0008 204 GLN A O 1508 C CB . GLN A 202 ? 0.4379 0.3511 0.3918 -0.0085 -0.0429 -0.0043 204 GLN A CB 1509 C CG . GLN A 202 ? 0.4221 0.3291 0.3687 -0.0089 -0.0436 -0.0060 204 GLN A CG 1510 C CD . GLN A 202 ? 0.5097 0.4159 0.4520 -0.0079 -0.0409 -0.0076 204 GLN A CD 1511 O OE1 . GLN A 202 ? 0.5115 0.4170 0.4523 -0.0063 -0.0385 -0.0091 204 GLN A OE1 1512 N NE2 . GLN A 202 ? 0.5267 0.4331 0.4672 -0.0088 -0.0414 -0.0071 204 GLN A NE2 1513 N N . SER A 203 ? 0.3831 0.3026 0.3480 -0.0062 -0.0409 -0.0036 205 SER A N 1514 C CA . SER A 203 ? 0.3871 0.3113 0.3575 -0.0048 -0.0390 -0.0032 205 SER A CA 1515 C C . SER A 203 ? 0.3786 0.3033 0.3474 -0.0030 -0.0357 -0.0049 205 SER A C 1516 O O . SER A 203 ? 0.3756 0.2963 0.3392 -0.0026 -0.0350 -0.0065 205 SER A O 1517 C CB . SER A 203 ? 0.4032 0.3271 0.3766 -0.0050 -0.0405 -0.0025 205 SER A CB 1518 O OG . SER A 203 ? 0.5059 0.4348 0.4854 -0.0041 -0.0392 -0.0015 205 SER A OG 1519 N N . ALA A 204 ? 0.4347 0.3642 0.4080 -0.0019 -0.0336 -0.0044 206 ALA A N 1520 C CA . ALA A 204 ? 0.4205 0.3511 0.3932 -0.0001 -0.0304 -0.0057 206 ALA A CA 1521 C C . ALA A 204 ? 0.3744 0.3103 0.3529 0.0009 -0.0288 -0.0049 206 ALA A C 1522 O O . ALA A 204 ? 0.3355 0.2748 0.3181 0.0003 -0.0296 -0.0033 206 ALA A O 1523 C CB . ALA A 204 ? 0.3172 0.2473 0.2861 0.0000 -0.0290 -0.0065 206 ALA A CB 1524 N N . THR A 205 ? 0.3516 0.2882 0.3305 0.0024 -0.0265 -0.0059 207 THR A N 1525 C CA . THR A 205 ? 0.3598 0.3013 0.3436 0.0035 -0.0246 -0.0052 207 THR A CA 1526 C C . THR A 205 ? 0.3770 0.3195 0.3591 0.0046 -0.0218 -0.0062 207 THR A C 1527 O O . THR A 205 ? 0.4053 0.3444 0.3827 0.0050 -0.0210 -0.0076 207 THR A O 1528 C CB . THR A 205 ? 0.3245 0.2666 0.3113 0.0042 -0.0243 -0.0052 207 THR A CB 1529 O OG1 . THR A 205 ? 0.3762 0.3154 0.3597 0.0052 -0.0229 -0.0069 207 THR A OG1 1530 C CG2 . THR A 205 ? 0.3742 0.3150 0.3625 0.0031 -0.0272 -0.0043 207 THR A CG2 1531 N N . PHE A 206 ? 0.3228 0.2699 0.3087 0.0053 -0.0203 -0.0055 208 PHE A N 1532 C CA . PHE A 206 ? 0.2666 0.2152 0.2519 0.0066 -0.0175 -0.0063 208 PHE A CA 1533 C C . PHE A 206 ? 0.2993 0.2525 0.2899 0.0074 -0.0161 -0.0055 208 PHE A C 1534 O O . PHE A 206 ? 0.2676 0.2234 0.2619 0.0069 -0.0172 -0.0042 208 PHE A O 1535 C CB . PHE A 206 ? 0.2694 0.2182 0.2522 0.0062 -0.0169 -0.0064 208 PHE A CB 1536 C CG . PHE A 206 ? 0.2519 0.2042 0.2379 0.0055 -0.0177 -0.0050 208 PHE A CG 1537 C CD1 . PHE A 206 ? 0.2571 0.2136 0.2464 0.0062 -0.0159 -0.0044 208 PHE A CD1 1538 C CD2 . PHE A 206 ? 0.3176 0.2688 0.3034 0.0040 -0.0202 -0.0041 208 PHE A CD2 1539 C CE1 . PHE A 206 ? 0.2193 0.1787 0.2113 0.0055 -0.0165 -0.0032 208 PHE A CE1 1540 C CE2 . PHE A 206 ? 0.3375 0.2919 0.3263 0.0034 -0.0207 -0.0027 208 PHE A CE2 1541 C CZ . PHE A 206 ? 0.2958 0.2542 0.2876 0.0042 -0.0189 -0.0023 208 PHE A CZ 1542 N N . THR A 207 ? 0.2957 0.2498 0.2863 0.0087 -0.0138 -0.0063 209 THR A N 1543 C CA . THR A 207 ? 0.2677 0.2257 0.2630 0.0096 -0.0125 -0.0056 209 THR A CA 1544 C C . THR A 207 ? 0.3207 0.2816 0.3166 0.0103 -0.0103 -0.0056 209 THR A C 1545 O O . THR A 207 ? 0.2639 0.2235 0.2567 0.0109 -0.0088 -0.0066 209 THR A O 1546 C CB . THR A 207 ? 0.2799 0.2367 0.2755 0.0105 -0.0117 -0.0063 209 THR A CB 1547 O OG1 . THR A 207 ? 0.3432 0.2970 0.3379 0.0098 -0.0137 -0.0064 209 THR A OG1 1548 C CG2 . THR A 207 ? 0.2595 0.2205 0.2602 0.0112 -0.0107 -0.0055 209 THR A CG2 1549 N N . LEU A 208 ? 0.3863 0.3511 0.3860 0.0101 -0.0102 -0.0045 210 LEU A N 1550 C CA . LEU A 208 ? 0.3193 0.2872 0.3204 0.0108 -0.0083 -0.0043 210 LEU A CA 1551 C C . LEU A 208 ? 0.2862 0.2563 0.2906 0.0118 -0.0070 -0.0042 210 LEU A C 1552 O O . LEU A 208 ? 0.3239 0.2954 0.3315 0.0116 -0.0079 -0.0034 210 LEU A O 1553 C CB . LEU A 208 ? 0.2487 0.2195 0.2519 0.0101 -0.0089 -0.0032 210 LEU A CB 1554 C CG . LEU A 208 ? 0.2748 0.2437 0.2756 0.0089 -0.0106 -0.0030 210 LEU A CG 1555 C CD1 . LEU A 208 ? 0.2799 0.2516 0.2834 0.0082 -0.0113 -0.0017 210 LEU A CD1 1556 C CD2 . LEU A 208 ? 0.3299 0.2966 0.3263 0.0091 -0.0097 -0.0040 210 LEU A CD2 1557 N N . PRO A 209 ? 0.2591 0.2292 0.2625 0.0129 -0.0049 -0.0049 211 PRO A N 1558 C CA . PRO A 209 ? 0.2543 0.2260 0.2604 0.0139 -0.0037 -0.0048 211 PRO A CA 1559 C C . PRO A 209 ? 0.2986 0.2748 0.3089 0.0140 -0.0029 -0.0038 211 PRO A C 1560 O O . PRO A 209 ? 0.2651 0.2430 0.2756 0.0136 -0.0028 -0.0033 211 PRO A O 1561 C CB . PRO A 209 ? 0.2555 0.2255 0.2589 0.0149 -0.0018 -0.0058 211 PRO A CB 1562 C CG . PRO A 209 ? 0.2638 0.2333 0.2644 0.0146 -0.0014 -0.0060 211 PRO A CG 1563 C CD . PRO A 209 ? 0.2330 0.2015 0.2327 0.0133 -0.0036 -0.0057 211 PRO A CD 1564 N N . THR A 210 ? 0.2236 0.2014 0.2369 0.0146 -0.0024 -0.0034 212 THR A N 1565 C CA . THR A 210 ? 0.2034 0.1851 0.2205 0.0148 -0.0017 -0.0025 212 THR A CA 1566 C C . THR A 210 ? 0.2834 0.2666 0.3004 0.0156 0.0004 -0.0026 212 THR A C 1567 O O . THR A 210 ? 0.2286 0.2150 0.2484 0.0158 0.0012 -0.0019 212 THR A O 1568 C CB . THR A 210 ? 0.2175 0.2005 0.2380 0.0151 -0.0021 -0.0019 212 THR A CB 1569 O OG1 . THR A 210 ? 0.1995 0.1812 0.2196 0.0160 -0.0010 -0.0026 212 THR A OG1 1570 C CG2 . THR A 210 ? 0.1348 0.1167 0.1560 0.0142 -0.0042 -0.0016 212 THR A CG2 1571 N N . SER A 211 ? 0.1900 0.1708 0.2039 0.0162 0.0015 -0.0036 213 SER A N 1572 C CA . SER A 211 ? 0.1959 0.1779 0.2095 0.0170 0.0035 -0.0036 213 SER A CA 1573 C C . SER A 211 ? 0.2341 0.2129 0.2436 0.0174 0.0044 -0.0047 213 SER A C 1574 O O . SER A 211 ? 0.2156 0.1910 0.2225 0.0173 0.0035 -0.0054 213 SER A O 1575 C CB . SER A 211 ? 0.2772 0.2610 0.2939 0.0179 0.0047 -0.0033 213 SER A CB 1576 O OG . SER A 211 ? 0.2470 0.2284 0.2628 0.0184 0.0048 -0.0039 213 SER A OG 1577 N N . PHE A 212 ? 0.2370 0.2168 0.2457 0.0180 0.0060 -0.0047 214 PHE A N 1578 C CA . PHE A 212 ? 0.1768 0.1537 0.1816 0.0185 0.0072 -0.0055 214 PHE A CA 1579 C C . PHE A 212 ? 0.1945 0.1732 0.2004 0.0196 0.0095 -0.0052 214 PHE A C 1580 O O . PHE A 212 ? 0.2557 0.2372 0.2630 0.0195 0.0101 -0.0045 214 PHE A O 1581 C CB . PHE A 212 ? 0.2138 0.1896 0.2156 0.0178 0.0064 -0.0058 214 PHE A CB 1582 C CG . PHE A 212 ? 0.2236 0.1960 0.2209 0.0182 0.0073 -0.0068 214 PHE A CG 1583 C CD1 . PHE A 212 ? 0.2231 0.1915 0.2173 0.0182 0.0066 -0.0077 214 PHE A CD1 1584 C CD2 . PHE A 212 ? 0.1733 0.1464 0.1693 0.0187 0.0089 -0.0067 214 PHE A CD2 1585 C CE1 . PHE A 212 ? 0.1894 0.1545 0.1792 0.0187 0.0075 -0.0087 214 PHE A CE1 1586 C CE2 . PHE A 212 ? 0.1995 0.1695 0.1913 0.0192 0.0099 -0.0076 214 PHE A CE2 1587 C CZ . PHE A 212 ? 0.2048 0.1707 0.1933 0.0192 0.0092 -0.0086 214 PHE A CZ 1588 N N . GLY A 213 ? 0.2583 0.2355 0.2637 0.0206 0.0108 -0.0057 215 GLY A N 1589 C CA . GLY A 213 ? 0.2027 0.1819 0.2100 0.0217 0.0129 -0.0052 215 GLY A CA 1590 C C . GLY A 213 ? 0.2375 0.2208 0.2495 0.0214 0.0127 -0.0040 215 GLY A C 1591 O O . GLY A 213 ? 0.2493 0.2331 0.2635 0.0210 0.0114 -0.0038 215 GLY A O 1592 N N . ILE A 214 ? 0.1679 0.1539 0.1815 0.0216 0.0138 -0.0032 216 ILE A N 1593 C CA . ILE A 214 ? 0.1655 0.1553 0.1832 0.0213 0.0137 -0.0021 216 ILE A CA 1594 C C . ILE A 214 ? 0.2275 0.2190 0.2461 0.0202 0.0120 -0.0017 216 ILE A C 1595 O O . ILE A 214 ? 0.2461 0.2405 0.2678 0.0198 0.0118 -0.0008 216 ILE A O 1596 C CB . ILE A 214 ? 0.2691 0.2614 0.2883 0.0220 0.0155 -0.0013 216 ILE A CB 1597 C CG1 . ILE A 214 ? 0.1891 0.1817 0.2064 0.0215 0.0156 -0.0012 216 ILE A CG1 1598 C CG2 . ILE A 214 ? 0.2191 0.2099 0.2376 0.0233 0.0175 -0.0015 216 ILE A CG2 1599 C CD1 . ILE A 214 ? 0.2315 0.2266 0.2503 0.0220 0.0172 -0.0003 216 ILE A CD1 1600 N N . TYR A 215 ? 0.2441 0.2335 0.2598 0.0195 0.0108 -0.0023 217 TYR A N 1601 C CA . TYR A 215 ? 0.2512 0.2420 0.2676 0.0184 0.0094 -0.0019 217 TYR A CA 1602 C C . TYR A 215 ? 0.2580 0.2482 0.2753 0.0177 0.0075 -0.0019 217 TYR A C 1603 O O . TYR A 215 ? 0.2341 0.2215 0.2494 0.0176 0.0066 -0.0026 217 TYR A O 1604 C CB . TYR A 215 ? 0.2881 0.2775 0.3012 0.0180 0.0093 -0.0023 217 TYR A CB 1605 C CG . TYR A 215 ? 0.2653 0.2554 0.2775 0.0187 0.0111 -0.0022 217 TYR A CG 1606 C CD1 . TYR A 215 ? 0.2576 0.2454 0.2672 0.0195 0.0124 -0.0028 217 TYR A CD1 1607 C CD2 . TYR A 215 ? 0.2745 0.2677 0.2887 0.0184 0.0115 -0.0013 217 TYR A CD2 1608 C CE1 . TYR A 215 ? 0.2227 0.2113 0.2317 0.0201 0.0141 -0.0026 217 TYR A CE1 1609 C CE2 . TYR A 215 ? 0.3137 0.3077 0.3273 0.0190 0.0131 -0.0010 217 TYR A CE2 1610 C CZ . TYR A 215 ? 0.2861 0.2778 0.2972 0.0198 0.0144 -0.0016 217 TYR A CZ 1611 O OH . TYR A 215 ? 0.3027 0.2953 0.3134 0.0204 0.0161 -0.0012 217 TYR A OH 1612 N N . LYS A 216 ? 0.2414 0.2344 0.2618 0.0173 0.0069 -0.0011 218 LYS A N 1613 C CA . LYS A 216 ? 0.2665 0.2595 0.2881 0.0166 0.0052 -0.0008 218 LYS A CA 1614 C C . LYS A 216 ? 0.3026 0.2943 0.3220 0.0157 0.0039 -0.0010 218 LYS A C 1615 O O . LYS A 216 ? 0.2989 0.2915 0.3176 0.0154 0.0042 -0.0008 218 LYS A O 1616 C CB . LYS A 216 ? 0.2751 0.2713 0.3003 0.0164 0.0050 0.0002 218 LYS A CB 1617 C CG . LYS A 216 ? 0.2697 0.2661 0.2963 0.0157 0.0033 0.0006 218 LYS A CG 1618 C CD . LYS A 216 ? 0.3008 0.3002 0.3309 0.0157 0.0034 0.0015 218 LYS A CD 1619 C CE . LYS A 216 ? 0.2639 0.2655 0.2944 0.0155 0.0040 0.0020 218 LYS A CE 1620 N NZ . LYS A 216 ? 0.3343 0.3384 0.3678 0.0153 0.0038 0.0029 218 LYS A NZ 1621 N N . CYS A 217 ? 0.2422 0.2319 0.2608 0.0153 0.0024 -0.0013 219 CYS A N 1622 C CA . CYS A 217 ? 0.2453 0.2338 0.2623 0.0144 0.0010 -0.0013 219 CYS A CA 1623 C C . CYS A 217 ? 0.2611 0.2510 0.2807 0.0137 -0.0005 -0.0004 219 CYS A C 1624 O O . CYS A 217 ? 0.2556 0.2448 0.2763 0.0137 -0.0013 -0.0004 219 CYS A O 1625 C CB . CYS A 217 ? 0.2951 0.2799 0.3086 0.0142 0.0003 -0.0022 219 CYS A CB 1626 S SG . CYS A 217 ? 0.3024 0.2850 0.3126 0.0152 0.0021 -0.0032 219 CYS A SG 1627 N N . ASN A 218 ? 0.2812 0.2731 0.3019 0.0132 -0.0007 0.0003 220 ASN A N 1628 C CA . ASN A 218 ? 0.2235 0.2164 0.2463 0.0126 -0.0021 0.0011 220 ASN A CA 1629 C C . ASN A 218 ? 0.3097 0.3011 0.3307 0.0117 -0.0034 0.0012 220 ASN A C 1630 O O . ASN A 218 ? 0.2843 0.2755 0.3064 0.0112 -0.0048 0.0018 220 ASN A O 1631 C CB . ASN A 218 ? 0.2575 0.2536 0.2830 0.0126 -0.0015 0.0019 220 ASN A CB 1632 C CG . ASN A 218 ? 0.2990 0.2968 0.3265 0.0133 -0.0003 0.0020 220 ASN A CG 1633 O OD1 . ASN A 218 ? 0.2582 0.2574 0.2859 0.0136 0.0009 0.0021 220 ASN A OD1 1634 N ND2 . ASN A 218 ? 0.2466 0.2444 0.2759 0.0136 -0.0008 0.0022 220 ASN A ND2 1635 N N . LYS A 219 ? 0.2798 0.2701 0.2980 0.0117 -0.0029 0.0006 221 LYS A N 1636 C CA . LYS A 219 ? 0.2727 0.2617 0.2890 0.0108 -0.0040 0.0007 221 LYS A CA 1637 C C . LYS A 219 ? 0.2654 0.2516 0.2777 0.0109 -0.0037 -0.0003 221 LYS A C 1638 O O . LYS A 219 ? 0.2301 0.2164 0.2414 0.0116 -0.0021 -0.0009 221 LYS A O 1639 C CB . LYS A 219 ? 0.2357 0.2268 0.2529 0.0105 -0.0037 0.0014 221 LYS A CB 1640 C CG . LYS A 219 ? 0.2615 0.2551 0.2821 0.0104 -0.0039 0.0024 221 LYS A CG 1641 C CD . LYS A 219 ? 0.2177 0.2107 0.2394 0.0097 -0.0057 0.0031 221 LYS A CD 1642 C CE . LYS A 219 ? 0.2864 0.2816 0.3115 0.0099 -0.0057 0.0040 221 LYS A CE 1643 N NZ . LYS A 219 ? 0.2934 0.2882 0.3198 0.0093 -0.0073 0.0049 221 LYS A NZ 1644 N N . HIS A 220 ? 0.2142 0.1981 0.2244 0.0102 -0.0051 -0.0005 222 HIS A N 1645 C CA . HIS A 220 ? 0.2240 0.2051 0.2302 0.0101 -0.0051 -0.0014 222 HIS A CA 1646 C C . HIS A 220 ? 0.2410 0.2217 0.2458 0.0091 -0.0060 -0.0010 222 HIS A C 1647 O O . HIS A 220 ? 0.2325 0.2133 0.2385 0.0083 -0.0076 -0.0002 222 HIS A O 1648 C CB . HIS A 220 ? 0.2344 0.2122 0.2387 0.0100 -0.0060 -0.0020 222 HIS A CB 1649 C CG . HIS A 220 ? 0.2522 0.2298 0.2571 0.0110 -0.0048 -0.0026 222 HIS A CG 1650 N ND1 . HIS A 220 ? 0.2726 0.2486 0.2748 0.0118 -0.0034 -0.0036 222 HIS A ND1 1651 C CD2 . HIS A 220 ? 0.2127 0.1915 0.2205 0.0114 -0.0049 -0.0023 222 HIS A CD2 1652 C CE1 . HIS A 220 ? 0.2633 0.2395 0.2670 0.0126 -0.0025 -0.0038 222 HIS A CE1 1653 N NE2 . HIS A 220 ? 0.2103 0.1882 0.2173 0.0124 -0.0034 -0.0031 222 HIS A NE2 1654 N N . VAL A 221 ? 0.2367 0.2170 0.2391 0.0092 -0.0051 -0.0014 223 VAL A N 1655 C CA . VAL A 221 ? 0.2152 0.1945 0.2154 0.0084 -0.0060 -0.0013 223 VAL A CA 1656 C C . VAL A 221 ? 0.2599 0.2353 0.2561 0.0081 -0.0067 -0.0022 223 VAL A C 1657 O O . VAL A 221 ? 0.2801 0.2540 0.2739 0.0088 -0.0055 -0.0031 223 VAL A O 1658 C CB . VAL A 221 ? 0.2336 0.2144 0.2332 0.0086 -0.0047 -0.0012 223 VAL A CB 1659 C CG1 . VAL A 221 ? 0.2235 0.2028 0.2204 0.0076 -0.0057 -0.0011 223 VAL A CG1 1660 C CG2 . VAL A 221 ? 0.1766 0.1610 0.1799 0.0087 -0.0040 -0.0004 223 VAL A CG2 1661 N N . VAL A 222 ? 0.2816 0.2552 0.2771 0.0071 -0.0088 -0.0018 224 VAL A N 1662 C CA . VAL A 222 ? 0.3226 0.2923 0.3142 0.0067 -0.0098 -0.0026 224 VAL A CA 1663 C C . VAL A 222 ? 0.3415 0.3101 0.3315 0.0054 -0.0114 -0.0020 224 VAL A C 1664 O O . VAL A 222 ? 0.3610 0.3321 0.3537 0.0049 -0.0120 -0.0009 224 VAL A O 1665 C CB . VAL A 222 ? 0.3526 0.3205 0.3447 0.0066 -0.0110 -0.0027 224 VAL A CB 1666 C CG1 . VAL A 222 ? 0.3360 0.3060 0.3313 0.0077 -0.0097 -0.0028 224 VAL A CG1 1667 C CG2 . VAL A 222 ? 0.4054 0.3735 0.3994 0.0055 -0.0132 -0.0016 224 VAL A CG2 1668 N N . GLN A 223 ? 0.2464 0.2115 0.2321 0.0050 -0.0122 -0.0028 225 GLN A N 1669 C CA . GLN A 223 ? 0.2836 0.2474 0.2677 0.0036 -0.0140 -0.0022 225 GLN A CA 1670 C C . GLN A 223 ? 0.3038 0.2650 0.2875 0.0027 -0.0164 -0.0020 225 GLN A C 1671 O O . GLN A 223 ? 0.3062 0.2646 0.2876 0.0030 -0.0165 -0.0029 225 GLN A O 1672 C CB . GLN A 223 ? 0.3077 0.2692 0.2871 0.0035 -0.0135 -0.0030 225 GLN A CB 1673 C CG . GLN A 223 ? 0.2459 0.2099 0.2257 0.0042 -0.0115 -0.0030 225 GLN A CG 1674 C CD . GLN A 223 ? 0.2968 0.2619 0.2772 0.0057 -0.0092 -0.0038 225 GLN A CD 1675 O OE1 . GLN A 223 ? 0.2853 0.2478 0.2626 0.0063 -0.0084 -0.0049 225 GLN A OE1 1676 N NE2 . GLN A 223 ? 0.2414 0.2102 0.2256 0.0062 -0.0080 -0.0032 225 GLN A NE2 1677 N N . LEU A 224 ? 0.2923 0.2546 0.2784 0.0017 -0.0181 -0.0006 226 LEU A N 1678 C CA . LEU A 224 ? 0.2983 0.2583 0.2841 0.0006 -0.0206 -0.0001 226 LEU A CA 1679 C C . LEU A 224 ? 0.3488 0.3064 0.3314 -0.0007 -0.0223 0.0001 226 LEU A C 1680 O O . LEU A 224 ? 0.2621 0.2211 0.2467 -0.0017 -0.0236 0.0015 226 LEU A O 1681 C CB . LEU A 224 ? 0.2819 0.2447 0.2728 0.0004 -0.0215 0.0013 226 LEU A CB 1682 C CG . LEU A 224 ? 0.3345 0.2999 0.3287 0.0016 -0.0198 0.0012 226 LEU A CG 1683 C CD1 . LEU A 224 ? 0.3430 0.3107 0.3419 0.0014 -0.0208 0.0027 226 LEU A CD1 1684 C CD2 . LEU A 224 ? 0.3292 0.2921 0.3214 0.0024 -0.0193 -0.0001 226 LEU A CD2 1685 N N . CYS A 225 ? 0.3889 0.3430 0.3666 -0.0007 -0.0222 -0.0011 227 CYS A N 1686 C CA . CYS A 225 ? 0.3878 0.3395 0.3617 -0.0018 -0.0233 -0.0011 227 CYS A CA 1687 C C . CYS A 225 ? 0.3916 0.3406 0.3646 -0.0033 -0.0263 -0.0004 227 CYS A C 1688 O O . CYS A 225 ? 0.3608 0.3089 0.3351 -0.0034 -0.0274 -0.0002 227 CYS A O 1689 C CB . CYS A 225 ? 0.3915 0.3403 0.3601 -0.0012 -0.0220 -0.0028 227 CYS A CB 1690 S SG . CYS A 225 ? 0.4350 0.3866 0.4039 0.0004 -0.0186 -0.0035 227 CYS A SG 1691 N N . TYR A 226 ? 0.3750 0.3227 0.3457 -0.0045 -0.0277 0.0001 228 TYR A N 1692 C CA . TYR A 226 ? 0.4374 0.3823 0.4068 -0.0062 -0.0306 0.0009 228 TYR A CA 1693 C C . TYR A 226 ? 0.4444 0.3873 0.4097 -0.0072 -0.0314 0.0009 228 TYR A C 1694 O O . TYR A 226 ? 0.4270 0.3717 0.3918 -0.0068 -0.0298 0.0007 228 TYR A O 1695 C CB . TYR A 226 ? 0.3336 0.2813 0.3083 -0.0069 -0.0321 0.0028 228 TYR A CB 1696 C CG . TYR A 226 ? 0.3661 0.3181 0.3445 -0.0067 -0.0310 0.0039 228 TYR A CG 1697 C CD1 . TYR A 226 ? 0.3701 0.3223 0.3473 -0.0076 -0.0317 0.0047 228 TYR A CD1 1698 C CD2 . TYR A 226 ? 0.3694 0.3252 0.3522 -0.0055 -0.0293 0.0042 228 TYR A CD2 1699 C CE1 . TYR A 226 ? 0.3936 0.3495 0.3741 -0.0074 -0.0307 0.0057 228 TYR A CE1 1700 C CE2 . TYR A 226 ? 0.3477 0.3071 0.3336 -0.0053 -0.0283 0.0052 228 TYR A CE2 1701 C CZ . TYR A 226 ? 0.4055 0.3650 0.3902 -0.0062 -0.0290 0.0059 228 TYR A CZ 1702 O OH . TYR A 226 ? 0.3301 0.2931 0.3179 -0.0060 -0.0279 0.0068 228 TYR A OH 1703 N N . PHE A 227 ? 0.4294 0.3687 0.3918 -0.0086 -0.0340 0.0011 229 PHE A N 1704 C CA . PHE A 227 ? 0.4219 0.3592 0.3806 -0.0098 -0.0351 0.0013 229 PHE A CA 1705 C C . PHE A 227 ? 0.4231 0.3631 0.3856 -0.0111 -0.0367 0.0034 229 PHE A C 1706 O O . PHE A 227 ? 0.4932 0.4349 0.4600 -0.0115 -0.0379 0.0048 229 PHE A O 1707 C CB . PHE A 227 ? 0.4246 0.3565 0.3780 -0.0109 -0.0371 0.0005 229 PHE A CB 1708 C CG . PHE A 227 ? 0.4125 0.3413 0.3613 -0.0097 -0.0354 -0.0016 229 PHE A CG 1709 C CD1 . PHE A 227 ? 0.4576 0.3854 0.4023 -0.0091 -0.0336 -0.0028 229 PHE A CD1 1710 C CD2 . PHE A 227 ? 0.4582 0.3851 0.4068 -0.0091 -0.0355 -0.0024 229 PHE A CD2 1711 C CE1 . PHE A 227 ? 0.5271 0.4521 0.4677 -0.0079 -0.0319 -0.0047 229 PHE A CE1 1712 C CE2 . PHE A 227 ? 0.4735 0.3974 0.4178 -0.0080 -0.0338 -0.0044 229 PHE A CE2 1713 C CZ . PHE A 227 ? 0.4570 0.3800 0.3973 -0.0073 -0.0320 -0.0055 229 PHE A CZ 1714 N N . VAL A 228 ? 0.3754 0.3158 0.3362 -0.0116 -0.0365 0.0037 230 VAL A N 1715 C CA . VAL A 228 ? 0.4470 0.3897 0.4110 -0.0128 -0.0379 0.0057 230 VAL A CA 1716 C C . VAL A 228 ? 0.4924 0.4317 0.4524 -0.0146 -0.0404 0.0062 230 VAL A C 1717 O O . VAL A 228 ? 0.5270 0.4642 0.4822 -0.0146 -0.0399 0.0051 230 VAL A O 1718 C CB . VAL A 228 ? 0.5105 0.4572 0.4768 -0.0120 -0.0357 0.0060 230 VAL A CB 1719 C CG1 . VAL A 228 ? 0.4983 0.4469 0.4672 -0.0132 -0.0372 0.0080 230 VAL A CG1 1720 C CG2 . VAL A 228 ? 0.3955 0.3458 0.3663 -0.0104 -0.0336 0.0058 230 VAL A CG2 1721 N N . TYR A 229 ? 0.5460 0.4849 0.5080 -0.0161 -0.0432 0.0079 231 TYR A N 1722 C CA . TYR A 229 ? 0.5527 0.4884 0.5113 -0.0180 -0.0458 0.0086 231 TYR A CA 1723 C C . TYR A 229 ? 0.5492 0.4877 0.5114 -0.0191 -0.0470 0.0108 231 TYR A C 1724 O O . TYR A 229 ? 0.4913 0.4336 0.4593 -0.0188 -0.0467 0.0123 231 TYR A O 1725 C CB . TYR A 229 ? 0.5448 0.4768 0.5020 -0.0191 -0.0485 0.0088 231 TYR A CB 1726 C CG . TYR A 229 ? 0.5341 0.4621 0.4862 -0.0184 -0.0479 0.0065 231 TYR A CG 1727 C CD1 . TYR A 229 ? 0.4832 0.4066 0.4287 -0.0191 -0.0487 0.0054 231 TYR A CD1 1728 C CD2 . TYR A 229 ? 0.5023 0.4310 0.4561 -0.0169 -0.0465 0.0056 231 TYR A CD2 1729 C CE1 . TYR A 229 ? 0.4815 0.4010 0.4221 -0.0184 -0.0480 0.0033 231 TYR A CE1 1730 C CE2 . TYR A 229 ? 0.5175 0.4424 0.4668 -0.0162 -0.0458 0.0035 231 TYR A CE2 1731 C CZ . TYR A 229 ? 0.4875 0.4078 0.4302 -0.0169 -0.0466 0.0024 231 TYR A CZ 1732 O OH . TYR A 229 ? 0.5604 0.4768 0.4984 -0.0162 -0.0458 0.0004 231 TYR A OH 1733 N N . GLU A 230 ? 0.5352 0.4717 0.4938 -0.0204 -0.0483 0.0111 232 GLU A N 1734 C CA . GLU A 230 ? 0.5540 0.4928 0.5154 -0.0216 -0.0495 0.0133 232 GLU A CA 1735 C C . GLU A 230 ? 0.5692 0.5087 0.5351 -0.0229 -0.0521 0.0156 232 GLU A C 1736 O O . GLU A 230 ? 0.5007 0.4440 0.4718 -0.0230 -0.0520 0.0174 232 GLU A O 1737 C CB . GLU A 230 ? 0.6358 0.5716 0.5920 -0.0229 -0.0507 0.0131 232 GLU A CB 1738 C CG . GLU A 230 ? 0.7103 0.6480 0.6689 -0.0243 -0.0522 0.0153 232 GLU A CG 1739 C CD . GLU A 230 ? 0.7462 0.6809 0.6994 -0.0256 -0.0534 0.0151 232 GLU A CD 1740 O OE1 . GLU A 230 ? 0.7546 0.6872 0.7027 -0.0249 -0.0519 0.0130 232 GLU A OE1 1741 O OE2 . GLU A 230 ? 0.7463 0.6808 0.7003 -0.0274 -0.0558 0.0170 232 GLU A OE2 1742 N N . ASN A 231 ? 0.4856 0.4216 0.4494 -0.0238 -0.0543 0.0155 233 ASN A N 1743 C CA . ASN A 231 ? 0.5277 0.4642 0.4956 -0.0249 -0.0569 0.0177 233 ASN A CA 1744 C C . ASN A 231 ? 0.5463 0.4788 0.5117 -0.0254 -0.0586 0.0169 233 ASN A C 1745 O O . ASN A 231 ? 0.5887 0.5181 0.5491 -0.0248 -0.0578 0.0146 233 ASN A O 1746 C CB . ASN A 231 ? 0.5748 0.5112 0.5434 -0.0269 -0.0594 0.0199 233 ASN A CB 1747 C CG . ASN A 231 ? 0.5463 0.4781 0.5080 -0.0283 -0.0609 0.0190 233 ASN A CG 1748 O OD1 . ASN A 231 ? 0.5566 0.4843 0.5135 -0.0285 -0.0617 0.0174 233 ASN A OD1 1749 N ND2 . ASN A 231 ? 0.5766 0.5093 0.5379 -0.0292 -0.0614 0.0200 233 ASN A ND2 1750 N N . LYS A 232 ? 0.4973 0.4299 0.4661 -0.0265 -0.0611 0.0188 234 LYS A N 1751 C CA . LYS A 232 ? 0.5140 0.4428 0.4808 -0.0271 -0.0631 0.0184 234 LYS A CA 1752 C C . LYS A 232 ? 0.5085 0.4319 0.4683 -0.0286 -0.0652 0.0175 234 LYS A C 1753 O O . LYS A 232 ? 0.5260 0.4456 0.4815 -0.0284 -0.0654 0.0157 234 LYS A O 1754 C CB . LYS A 232 ? 0.4903 0.4205 0.4625 -0.0281 -0.0654 0.0210 234 LYS A CB 1755 C CG . LYS A 232 ? 0.4844 0.4110 0.4551 -0.0287 -0.0675 0.0206 234 LYS A CG 1756 C CD . LYS A 232 ? 0.5208 0.4490 0.4971 -0.0298 -0.0699 0.0234 234 LYS A CD 1757 C CE . LYS A 232 ? 0.4332 0.3583 0.4086 -0.0301 -0.0716 0.0230 234 LYS A CE 1758 N NZ . LYS A 232 ? 0.5019 0.4217 0.4720 -0.0321 -0.0749 0.0230 234 LYS A NZ 1759 N N . ALA A 233 ? 0.6091 0.5323 0.5679 -0.0301 -0.0667 0.0188 235 ALA A N 1760 C CA . ALA A 233 ? 0.6413 0.5593 0.5935 -0.0318 -0.0689 0.0182 235 ALA A CA 1761 C C . ALA A 233 ? 0.6376 0.5527 0.5832 -0.0307 -0.0668 0.0152 235 ALA A C 1762 O O . ALA A 233 ? 0.6903 0.6004 0.6303 -0.0312 -0.0680 0.0138 235 ALA A O 1763 C CB . ALA A 233 ? 0.5745 0.4934 0.5272 -0.0334 -0.0706 0.0202 235 ALA A CB 1764 N N . LYS A 234 ? 0.5674 0.4856 0.5137 -0.0291 -0.0636 0.0143 236 LYS A N 1765 C CA . LYS A 234 ? 0.6085 0.5245 0.5492 -0.0277 -0.0612 0.0116 236 LYS A CA 1766 C C . LYS A 234 ? 0.6512 0.5660 0.5914 -0.0262 -0.0598 0.0097 236 LYS A C 1767 O O . LYS A 234 ? 0.6605 0.5716 0.5950 -0.0256 -0.0589 0.0076 236 LYS A O 1768 C CB . LYS A 234 ? 0.6990 0.6190 0.6413 -0.0264 -0.0582 0.0113 236 LYS A CB 1769 C CG . LYS A 234 ? 0.7755 0.6955 0.7161 -0.0278 -0.0591 0.0123 236 LYS A CG 1770 C CD . LYS A 234 ? 0.8077 0.7279 0.7447 -0.0265 -0.0563 0.0105 236 LYS A CD 1771 C CE . LYS A 234 ? 0.8497 0.7710 0.7862 -0.0277 -0.0569 0.0117 236 LYS A CE 1772 N NZ . LYS A 234 ? 0.8805 0.7979 0.8134 -0.0300 -0.0604 0.0128 236 LYS A NZ 1773 N N . PHE A 235 ? 0.4335 0.3513 0.3795 -0.0255 -0.0595 0.0107 237 PHE A N 1774 C CA . PHE A 235 ? 0.4783 0.3950 0.4241 -0.0242 -0.0584 0.0091 237 PHE A CA 1775 C C . PHE A 235 ? 0.5021 0.4135 0.4439 -0.0255 -0.0611 0.0087 237 PHE A C 1776 O O . PHE A 235 ? 0.4637 0.3718 0.4014 -0.0246 -0.0603 0.0067 237 PHE A O 1777 C CB . PHE A 235 ? 0.4408 0.3621 0.3939 -0.0232 -0.0575 0.0103 237 PHE A CB 1778 C CG . PHE A 235 ? 0.4380 0.3579 0.3913 -0.0223 -0.0572 0.0092 237 PHE A CG 1779 C CD1 . PHE A 235 ? 0.4353 0.3546 0.3862 -0.0205 -0.0545 0.0069 237 PHE A CD1 1780 C CD2 . PHE A 235 ? 0.4498 0.3691 0.4059 -0.0233 -0.0597 0.0106 237 PHE A CD2 1781 C CE1 . PHE A 235 ? 0.3950 0.3130 0.3462 -0.0197 -0.0542 0.0060 237 PHE A CE1 1782 C CE2 . PHE A 235 ? 0.4365 0.3544 0.3928 -0.0225 -0.0595 0.0097 237 PHE A CE2 1783 C CZ . PHE A 235 ? 0.4083 0.3256 0.3622 -0.0207 -0.0568 0.0073 237 PHE A CZ 1784 N N . ASN A 236 ? 0.5124 0.4228 0.4552 -0.0275 -0.0645 0.0107 238 ASN A N 1785 C CA . ASN A 236 ? 0.5438 0.4493 0.4836 -0.0290 -0.0676 0.0108 238 ASN A CA 1786 C C . ASN A 236 ? 0.5560 0.4556 0.4873 -0.0299 -0.0685 0.0091 238 ASN A C 1787 O O . ASN A 236 ? 0.6294 0.5244 0.5573 -0.0312 -0.0712 0.0089 238 ASN A O 1788 C CB . ASN A 236 ? 0.5603 0.4668 0.5042 -0.0310 -0.0710 0.0137 238 ASN A CB 1789 C CG . ASN A 236 ? 0.4743 0.3846 0.4255 -0.0304 -0.0709 0.0152 238 ASN A CG 1790 O OD1 . ASN A 236 ? 0.4987 0.4118 0.4550 -0.0313 -0.0725 0.0178 238 ASN A OD1 1791 N ND2 . ASN A 236 ? 0.4890 0.3995 0.4406 -0.0286 -0.0689 0.0136 238 ASN A ND2 1792 N N . THR A 237 ? 0.6893 0.5890 0.6172 -0.0291 -0.0663 0.0078 239 THR A N 1793 C CA . THR A 237 ? 0.6936 0.5877 0.6132 -0.0294 -0.0664 0.0058 239 THR A CA 1794 C C . THR A 237 ? 0.7459 0.6385 0.6630 -0.0273 -0.0636 0.0032 239 THR A C 1795 O O . THR A 237 ? 0.7985 0.6864 0.7087 -0.0271 -0.0631 0.0012 239 THR A O 1796 C CB . THR A 237 ? 0.7284 0.6230 0.6450 -0.0296 -0.0654 0.0056 239 THR A CB 1797 O OG1 . THR A 237 ? 0.7691 0.6681 0.6885 -0.0275 -0.0617 0.0049 239 THR A OG1 1798 C CG2 . THR A 237 ? 0.6557 0.5522 0.5753 -0.0316 -0.0680 0.0083 239 THR A CG2 1799 N N . PHE A 238 ? 0.6049 0.5015 0.5276 -0.0257 -0.0618 0.0033 240 PHE A N 1800 C CA . PHE A 238 ? 0.6894 0.5850 0.6107 -0.0237 -0.0592 0.0011 240 PHE A CA 1801 C C . PHE A 238 ? 0.6647 0.5603 0.5894 -0.0236 -0.0602 0.0015 240 PHE A C 1802 O O . PHE A 238 ? 0.6315 0.5234 0.5528 -0.0229 -0.0599 -0.0002 240 PHE A O 1803 C CB . PHE A 238 ? 0.6948 0.5952 0.6191 -0.0216 -0.0554 0.0006 240 PHE A CB 1804 C CG . PHE A 238 ? 0.6628 0.5630 0.5832 -0.0214 -0.0538 -0.0002 240 PHE A CG 1805 C CD1 . PHE A 238 ? 0.6736 0.5700 0.5877 -0.0204 -0.0520 -0.0025 240 PHE A CD1 1806 C CD2 . PHE A 238 ? 0.6646 0.5681 0.5875 -0.0221 -0.0541 0.0014 240 PHE A CD2 1807 C CE1 . PHE A 238 ? 0.6999 0.5962 0.6105 -0.0201 -0.0506 -0.0031 240 PHE A CE1 1808 C CE2 . PHE A 238 ? 0.6917 0.5950 0.6112 -0.0219 -0.0527 0.0007 240 PHE A CE2 1809 C CZ . PHE A 238 ? 0.6653 0.5650 0.5785 -0.0209 -0.0510 -0.0015 240 PHE A CZ 1810 N N . GLY A 239 ? 0.6102 0.5098 0.5417 -0.0241 -0.0615 0.0037 241 GLY A N 1811 C CA . GLY A 239 ? 0.5961 0.4962 0.5315 -0.0240 -0.0624 0.0043 241 GLY A CA 1812 C C . GLY A 239 ? 0.5780 0.4796 0.5181 -0.0257 -0.0656 0.0070 241 GLY A C 1813 O O . GLY A 239 ? 0.5735 0.4765 0.5148 -0.0270 -0.0669 0.0087 241 GLY A O 1814 N N . CYS A 240 ? 0.6800 0.5812 0.6229 -0.0258 -0.0669 0.0076 242 CYS A N 1815 C CA . CYS A 240 ? 0.6307 0.5334 0.5784 -0.0274 -0.0699 0.0103 242 CYS A CA 1816 C C . CYS A 240 ? 0.5771 0.4860 0.5328 -0.0263 -0.0684 0.0118 242 CYS A C 1817 O O . CYS A 240 ? 0.6922 0.6031 0.6498 -0.0244 -0.0658 0.0106 242 CYS A O 1818 C CB . CYS A 240 ? 0.6824 0.5807 0.6283 -0.0285 -0.0727 0.0102 242 CYS A CB 1819 S SG . CYS A 240 ? 0.8027 0.6931 0.7386 -0.0291 -0.0736 0.0076 242 CYS A SG 1820 N N . GLY A 241 ? 0.4868 0.3987 0.4473 -0.0274 -0.0700 0.0144 243 GLY A N 1821 C CA . GLY A 241 ? 0.5213 0.4390 0.4891 -0.0263 -0.0685 0.0160 243 GLY A CA 1822 C C . GLY A 241 ? 0.5623 0.4839 0.5315 -0.0253 -0.0658 0.0159 243 GLY A C 1823 O O . GLY A 241 ? 0.4931 0.4135 0.4588 -0.0261 -0.0660 0.0156 243 GLY A O 1824 N N . ASP A 242 ? 0.5372 0.4634 0.5113 -0.0237 -0.0632 0.0160 244 ASP A N 1825 C CA . ASP A 242 ? 0.5349 0.4646 0.5101 -0.0225 -0.0604 0.0157 244 ASP A CA 1826 C C . ASP A 242 ? 0.5090 0.4386 0.4818 -0.0205 -0.0572 0.0130 244 ASP A C 1827 O O . ASP A 242 ? 0.4861 0.4146 0.4589 -0.0197 -0.0569 0.0120 244 ASP A O 1828 C CB . ASP A 242 ? 0.4502 0.3853 0.4326 -0.0220 -0.0597 0.0178 244 ASP A CB 1829 C CG . ASP A 242 ? 0.5169 0.4527 0.5017 -0.0238 -0.0621 0.0205 244 ASP A CG 1830 O OD1 . ASP A 242 ? 0.6002 0.5362 0.5883 -0.0247 -0.0644 0.0224 244 ASP A OD1 1831 O OD2 . ASP A 242 ? 0.5099 0.4463 0.4933 -0.0243 -0.0618 0.0207 244 ASP A OD2 1832 N N . TYR A 243 ? 0.4902 0.4209 0.4610 -0.0197 -0.0550 0.0119 245 TYR A N 1833 C CA . TYR A 243 ? 0.4853 0.4164 0.4544 -0.0178 -0.0519 0.0097 245 TYR A CA 1834 C C . TYR A 243 ? 0.5036 0.4390 0.4785 -0.0163 -0.0501 0.0102 245 TYR A C 1835 O O . TYR A 243 ? 0.4153 0.3546 0.3953 -0.0164 -0.0500 0.0120 245 TYR A O 1836 C CB . TYR A 243 ? 0.4259 0.3576 0.3921 -0.0172 -0.0498 0.0086 245 TYR A CB 1837 C CG . TYR A 243 ? 0.4736 0.4063 0.4391 -0.0152 -0.0466 0.0067 245 TYR A CG 1838 C CD1 . TYR A 243 ? 0.4047 0.3335 0.3650 -0.0146 -0.0459 0.0045 245 TYR A CD1 1839 C CD2 . TYR A 243 ? 0.4248 0.3623 0.3949 -0.0138 -0.0442 0.0070 245 TYR A CD2 1840 C CE1 . TYR A 243 ? 0.3953 0.3252 0.3554 -0.0127 -0.0429 0.0029 245 TYR A CE1 1841 C CE2 . TYR A 243 ? 0.4149 0.3534 0.3846 -0.0120 -0.0413 0.0053 245 TYR A CE2 1842 C CZ . TYR A 243 ? 0.4166 0.3514 0.3814 -0.0115 -0.0407 0.0034 245 TYR A CZ 1843 O OH . TYR A 243 ? 0.4437 0.3797 0.4083 -0.0097 -0.0378 0.0019 245 TYR A OH 1844 N N . TYR A 244 ? 0.4656 0.4002 0.4397 -0.0150 -0.0485 0.0085 246 TYR A N 1845 C CA . TYR A 244 ? 0.4398 0.3786 0.4188 -0.0134 -0.0463 0.0086 246 TYR A CA 1846 C C . TYR A 244 ? 0.4289 0.3667 0.4055 -0.0118 -0.0440 0.0064 246 TYR A C 1847 O O . TYR A 244 ? 0.4103 0.3440 0.3824 -0.0119 -0.0445 0.0049 246 TYR A O 1848 C CB . TYR A 244 ? 0.4412 0.3815 0.4253 -0.0138 -0.0479 0.0104 246 TYR A CB 1849 C CG . TYR A 244 ? 0.4820 0.4186 0.4643 -0.0142 -0.0496 0.0098 246 TYR A CG 1850 C CD1 . TYR A 244 ? 0.4636 0.4008 0.4473 -0.0128 -0.0482 0.0089 246 TYR A CD1 1851 C CD2 . TYR A 244 ? 0.4532 0.3858 0.4323 -0.0159 -0.0526 0.0102 246 TYR A CD2 1852 C CE1 . TYR A 244 ? 0.4611 0.3950 0.4433 -0.0132 -0.0498 0.0083 246 TYR A CE1 1853 C CE2 . TYR A 244 ? 0.4500 0.3791 0.4274 -0.0163 -0.0542 0.0097 246 TYR A CE2 1854 C CZ . TYR A 244 ? 0.4903 0.4201 0.4693 -0.0149 -0.0528 0.0087 246 TYR A CZ 1855 O OH . TYR A 244 ? 0.4995 0.4257 0.4768 -0.0153 -0.0544 0.0082 246 TYR A OH 1856 N N . GLN A 245 ? 0.5023 0.4440 0.4820 -0.0103 -0.0413 0.0062 247 GLN A N 1857 C CA . GLN A 245 ? 0.4455 0.3874 0.4246 -0.0086 -0.0389 0.0044 247 GLN A CA 1858 C C . GLN A 245 ? 0.4780 0.4247 0.4628 -0.0075 -0.0372 0.0052 247 GLN A C 1859 O O . GLN A 245 ? 0.4390 0.3888 0.4255 -0.0070 -0.0357 0.0056 247 GLN A O 1860 C CB . GLN A 245 ? 0.4132 0.3537 0.3876 -0.0079 -0.0370 0.0027 247 GLN A CB 1861 C CG . GLN A 245 ? 0.4701 0.4109 0.4440 -0.0062 -0.0344 0.0010 247 GLN A CG 1862 C CD . GLN A 245 ? 0.5116 0.4477 0.4798 -0.0060 -0.0343 -0.0008 247 GLN A CD 1863 O OE1 . GLN A 245 ? 0.6928 0.6250 0.6568 -0.0072 -0.0361 -0.0011 247 GLN A OE1 1864 N NE2 . GLN A 245 ? 0.5621 0.4984 0.5301 -0.0044 -0.0320 -0.0021 247 GLN A NE2 1865 N N . ASN A 246 ? 0.4018 0.3490 0.3893 -0.0070 -0.0375 0.0054 248 ASN A N 1866 C CA . ASN A 246 ? 0.4111 0.3627 0.4042 -0.0061 -0.0362 0.0064 248 ASN A CA 1867 C C . ASN A 246 ? 0.3831 0.3355 0.3767 -0.0045 -0.0340 0.0050 248 ASN A C 1868 O O . ASN A 246 ? 0.3768 0.3262 0.3681 -0.0043 -0.0343 0.0039 248 ASN A O 1869 C CB . ASN A 246 ? 0.3700 0.3225 0.3671 -0.0070 -0.0384 0.0084 248 ASN A CB 1870 C CG . ASN A 246 ? 0.4573 0.4102 0.4553 -0.0084 -0.0402 0.0101 248 ASN A CG 1871 O OD1 . ASN A 246 ? 0.3863 0.3417 0.3855 -0.0082 -0.0391 0.0107 248 ASN A OD1 1872 N ND2 . ASN A 246 ? 0.4321 0.3824 0.4295 -0.0098 -0.0430 0.0111 248 ASN A ND2 1873 N N . TYR A 247 ? 0.3125 0.2686 0.3090 -0.0034 -0.0319 0.0052 249 TYR A N 1874 C CA . TYR A 247 ? 0.3250 0.2823 0.3225 -0.0019 -0.0297 0.0041 249 TYR A CA 1875 C C . TYR A 247 ? 0.3028 0.2633 0.3057 -0.0015 -0.0298 0.0054 249 TYR A C 1876 O O . TYR A 247 ? 0.2756 0.2389 0.2819 -0.0018 -0.0300 0.0069 249 TYR A O 1877 C CB . TYR A 247 ? 0.3021 0.2613 0.2987 -0.0009 -0.0272 0.0032 249 TYR A CB 1878 C CG . TYR A 247 ? 0.3337 0.2901 0.3250 -0.0011 -0.0268 0.0019 249 TYR A CG 1879 C CD1 . TYR A 247 ? 0.3148 0.2695 0.3032 -0.0001 -0.0251 0.0002 249 TYR A CD1 1880 C CD2 . TYR A 247 ? 0.3223 0.2778 0.3117 -0.0022 -0.0279 0.0024 249 TYR A CD2 1881 C CE1 . TYR A 247 ? 0.2601 0.2122 0.2436 -0.0001 -0.0246 -0.0010 249 TYR A CE1 1882 C CE2 . TYR A 247 ? 0.2803 0.2332 0.2648 -0.0023 -0.0274 0.0012 249 TYR A CE2 1883 C CZ . TYR A 247 ? 0.3158 0.2669 0.2973 -0.0013 -0.0258 -0.0005 249 TYR A CZ 1884 O OH . TYR A 247 ? 0.3286 0.2771 0.3051 -0.0013 -0.0252 -0.0017 249 TYR A OH 1885 N N . TYR A 248 ? 0.3148 0.2747 0.3184 -0.0008 -0.0295 0.0048 250 TYR A N 1886 C CA . TYR A 248 ? 0.3310 0.2935 0.3394 -0.0004 -0.0296 0.0059 250 TYR A CA 1887 C C . TYR A 248 ? 0.3208 0.2849 0.3304 0.0010 -0.0274 0.0050 250 TYR A C 1888 O O . TYR A 248 ? 0.3356 0.2979 0.3421 0.0016 -0.0263 0.0034 250 TYR A O 1889 C CB . TYR A 248 ? 0.3196 0.2797 0.3284 -0.0013 -0.0321 0.0066 250 TYR A CB 1890 C CG . TYR A 248 ? 0.3624 0.3207 0.3703 -0.0029 -0.0346 0.0077 250 TYR A CG 1891 C CD1 . TYR A 248 ? 0.3690 0.3297 0.3810 -0.0035 -0.0358 0.0099 250 TYR A CD1 1892 C CD2 . TYR A 248 ? 0.3502 0.3045 0.3532 -0.0038 -0.0358 0.0068 250 TYR A CD2 1893 C CE1 . TYR A 248 ? 0.2839 0.2431 0.2953 -0.0050 -0.0381 0.0111 250 TYR A CE1 1894 C CE2 . TYR A 248 ? 0.3871 0.3398 0.3893 -0.0053 -0.0382 0.0080 250 TYR A CE2 1895 C CZ . TYR A 248 ? 0.3435 0.2987 0.3500 -0.0059 -0.0394 0.0101 250 TYR A CZ 1896 O OH . TYR A 248 ? 0.3574 0.3112 0.3634 -0.0075 -0.0418 0.0115 250 TYR A OH 1897 N N . ASP A 249 ? 0.2932 0.2609 0.3074 0.0016 -0.0267 0.0060 251 ASP A N 1898 C CA . ASP A 249 ? 0.2965 0.2655 0.3121 0.0029 -0.0249 0.0053 251 ASP A CA 1899 C C . ASP A 249 ? 0.3038 0.2711 0.3202 0.0028 -0.0262 0.0053 251 ASP A C 1900 O O . ASP A 249 ? 0.3477 0.3126 0.3632 0.0018 -0.0284 0.0058 251 ASP A O 1901 C CB . ASP A 249 ? 0.3081 0.2814 0.3279 0.0036 -0.0235 0.0063 251 ASP A CB 1902 C CG . ASP A 249 ? 0.3483 0.3233 0.3721 0.0031 -0.0249 0.0082 251 ASP A CG 1903 O OD1 . ASP A 249 ? 0.3925 0.3657 0.4166 0.0023 -0.0269 0.0088 251 ASP A OD1 1904 O OD2 . ASP A 249 ? 0.3524 0.3307 0.3792 0.0035 -0.0239 0.0090 251 ASP A OD2 1905 N N . GLY A 250 ? 0.3114 0.2799 0.3295 0.0038 -0.0249 0.0049 252 GLY A N 1906 C CA . GLY A 250 ? 0.3409 0.3078 0.3597 0.0039 -0.0259 0.0048 252 GLY A CA 1907 C C . GLY A 250 ? 0.3974 0.3651 0.4196 0.0032 -0.0279 0.0065 252 GLY A C 1908 O O . GLY A 250 ? 0.3945 0.3602 0.4169 0.0029 -0.0293 0.0066 252 GLY A O 1909 N N . ASN A 251 ? 0.3379 0.3082 0.3629 0.0028 -0.0281 0.0080 253 ASN A N 1910 C CA . ASN A 251 ? 0.3419 0.3131 0.3704 0.0022 -0.0300 0.0099 253 ASN A CA 1911 C C . ASN A 251 ? 0.3396 0.3089 0.3668 0.0008 -0.0322 0.0108 253 ASN A C 1912 O O . ASN A 251 ? 0.3047 0.2737 0.3341 0.0000 -0.0342 0.0123 253 ASN A O 1913 C CB . ASN A 251 ? 0.3335 0.3090 0.3663 0.0028 -0.0288 0.0113 253 ASN A CB 1914 C CG . ASN A 251 ? 0.3135 0.2910 0.3482 0.0040 -0.0270 0.0107 253 ASN A CG 1915 O OD1 . ASN A 251 ? 0.3372 0.3160 0.3711 0.0048 -0.0250 0.0098 253 ASN A OD1 1916 N ND2 . ASN A 251 ? 0.2924 0.2702 0.3298 0.0041 -0.0278 0.0115 253 ASN A ND2 1917 N N . GLY A 252 ? 0.4012 0.3693 0.4250 0.0004 -0.0319 0.0101 254 GLY A N 1918 C CA . GLY A 252 ? 0.3537 0.3200 0.3761 -0.0010 -0.0340 0.0109 254 GLY A CA 1919 C C . GLY A 252 ? 0.3405 0.3092 0.3643 -0.0013 -0.0335 0.0121 254 GLY A C 1920 O O . GLY A 252 ? 0.3930 0.3610 0.4168 -0.0024 -0.0353 0.0132 254 GLY A O 1921 N N . ASN A 253 ? 0.4158 0.3876 0.4411 -0.0002 -0.0312 0.0118 255 ASN A N 1922 C CA . ASN A 253 ? 0.3672 0.3412 0.3934 -0.0003 -0.0305 0.0126 255 ASN A CA 1923 C C . ASN A 253 ? 0.3634 0.3354 0.3852 -0.0008 -0.0303 0.0114 255 ASN A C 1924 O O . ASN A 253 ? 0.3544 0.3253 0.3732 -0.0002 -0.0290 0.0097 255 ASN A O 1925 C CB . ASN A 253 ? 0.3669 0.3445 0.3957 0.0009 -0.0281 0.0126 255 ASN A CB 1926 C CG . ASN A 253 ? 0.4039 0.3836 0.4370 0.0014 -0.0282 0.0138 255 ASN A CG 1927 O OD1 . ASN A 253 ? 0.4200 0.4009 0.4561 0.0010 -0.0291 0.0156 255 ASN A OD1 1928 N ND2 . ASN A 253 ? 0.3364 0.3164 0.3699 0.0023 -0.0271 0.0128 255 ASN A ND2 1929 N N . LEU A 254 ? 0.3035 0.2750 0.3249 -0.0019 -0.0317 0.0125 256 LEU A N 1930 C CA . LEU A 254 ? 0.3765 0.3465 0.3940 -0.0024 -0.0316 0.0116 256 LEU A CA 1931 C C . LEU A 254 ? 0.3297 0.3021 0.3472 -0.0014 -0.0290 0.0109 256 LEU A C 1932 O O . LEU A 254 ? 0.3316 0.3070 0.3522 -0.0012 -0.0283 0.0121 256 LEU A O 1933 C CB . LEU A 254 ? 0.3057 0.2752 0.3237 -0.0038 -0.0336 0.0133 256 LEU A CB 1934 C CG . LEU A 254 ? 0.3583 0.3260 0.3723 -0.0045 -0.0338 0.0126 256 LEU A CG 1935 C CD1 . LEU A 254 ? 0.3071 0.2706 0.3164 -0.0051 -0.0350 0.0112 256 LEU A CD1 1936 C CD2 . LEU A 254 ? 0.3249 0.2933 0.3406 -0.0057 -0.0353 0.0146 256 LEU A CD2 1937 N N . ILE A 255 ? 0.3248 0.2959 0.3387 -0.0009 -0.0277 0.0091 257 ILE A N 1938 C CA . ILE A 255 ? 0.2828 0.2561 0.2966 0.0000 -0.0253 0.0084 257 ILE A CA 1939 C C . ILE A 255 ? 0.3398 0.3118 0.3499 -0.0004 -0.0250 0.0076 257 ILE A C 1940 O O . ILE A 255 ? 0.3704 0.3441 0.3802 0.0003 -0.0232 0.0071 257 ILE A O 1941 C CB . ILE A 255 ? 0.3530 0.3265 0.3663 0.0013 -0.0235 0.0069 257 ILE A CB 1942 C CG1 . ILE A 255 ? 0.3415 0.3113 0.3508 0.0012 -0.0241 0.0055 257 ILE A CG1 1943 C CG2 . ILE A 255 ? 0.2880 0.2636 0.3054 0.0019 -0.0233 0.0077 257 ILE A CG2 1944 C CD1 . ILE A 255 ? 0.3416 0.3112 0.3491 0.0024 -0.0220 0.0039 257 ILE A CD1 1945 N N . GLY A 256 ? 0.3088 0.2777 0.3159 -0.0015 -0.0269 0.0076 258 GLY A N 1946 C CA . GLY A 256 ? 0.3212 0.2886 0.3244 -0.0019 -0.0267 0.0068 258 GLY A CA 1947 C C . GLY A 256 ? 0.3223 0.2859 0.3221 -0.0032 -0.0289 0.0067 258 GLY A C 1948 O O . GLY A 256 ? 0.3361 0.2980 0.3362 -0.0037 -0.0307 0.0071 258 GLY A O 1949 N N . GLY A 257 ? 0.3276 0.2898 0.3239 -0.0037 -0.0289 0.0063 259 GLY A N 1950 C CA . GLY A 257 ? 0.3013 0.2597 0.2938 -0.0050 -0.0310 0.0061 259 GLY A CA 1951 C C . GLY A 257 ? 0.3460 0.3047 0.3388 -0.0063 -0.0326 0.0076 259 GLY A C 1952 O O . GLY A 257 ? 0.3144 0.2761 0.3098 -0.0062 -0.0317 0.0085 259 GLY A O 1953 N N . MET A 258 ? 0.3506 0.3059 0.3407 -0.0076 -0.0349 0.0078 260 MET A N 1954 C CA . MET A 258 ? 0.3920 0.3472 0.3823 -0.0091 -0.0368 0.0093 260 MET A CA 1955 C C . MET A 258 ? 0.4050 0.3575 0.3951 -0.0105 -0.0398 0.0103 260 MET A C 1956 O O . MET A 258 ? 0.3822 0.3309 0.3683 -0.0109 -0.0408 0.0092 260 MET A O 1957 C CB . MET A 258 ? 0.3591 0.3126 0.3448 -0.0095 -0.0364 0.0084 260 MET A CB 1958 C CG . MET A 258 ? 0.3648 0.3171 0.3496 -0.0113 -0.0388 0.0098 260 MET A CG 1959 S SD . MET A 258 ? 0.4089 0.3656 0.3993 -0.0116 -0.0389 0.0122 260 MET A SD 1960 C CE . MET A 258 ? 0.3820 0.3413 0.3719 -0.0103 -0.0357 0.0111 260 MET A CE 1961 N N . ASP A 259 ? 0.3554 0.3099 0.3499 -0.0112 -0.0412 0.0125 261 ASP A N 1962 C CA . ASP A 259 ? 0.4450 0.3976 0.4402 -0.0125 -0.0441 0.0138 261 ASP A CA 1963 C C . ASP A 259 ? 0.4768 0.4296 0.4731 -0.0141 -0.0461 0.0158 261 ASP A C 1964 O O . ASP A 259 ? 0.3589 0.3149 0.3598 -0.0141 -0.0460 0.0176 261 ASP A O 1965 C CB . ASP A 259 ? 0.4204 0.3751 0.4205 -0.0119 -0.0440 0.0147 261 ASP A CB 1966 C CG . ASP A 259 ? 0.4665 0.4186 0.4668 -0.0131 -0.0469 0.0157 261 ASP A CG 1967 O OD1 . ASP A 259 ? 0.4063 0.3554 0.4036 -0.0146 -0.0492 0.0160 261 ASP A OD1 1968 O OD2 . ASP A 259 ? 0.4443 0.3975 0.4479 -0.0125 -0.0470 0.0162 261 ASP A OD2 1969 N N . ASN A 260 ? 0.4854 0.4346 0.4772 -0.0154 -0.0480 0.0155 262 ASN A N 1970 C CA . ASN A 260 ? 0.5224 0.4714 0.5146 -0.0170 -0.0499 0.0173 262 ASN A CA 1971 C C . ASN A 260 ? 0.4952 0.4433 0.4899 -0.0184 -0.0530 0.0194 262 ASN A C 1972 O O . ASN A 260 ? 0.5585 0.5059 0.5531 -0.0200 -0.0551 0.0209 262 ASN A O 1973 C CB . ASN A 260 ? 0.5105 0.4562 0.4967 -0.0179 -0.0505 0.0161 262 ASN A CB 1974 C CG . ASN A 260 ? 0.4887 0.4358 0.4730 -0.0166 -0.0476 0.0145 262 ASN A CG 1975 O OD1 . ASN A 260 ? 0.4683 0.4130 0.4480 -0.0160 -0.0465 0.0124 262 ASN A OD1 1976 N ND2 . ASN A 260 ? 0.4756 0.4267 0.4636 -0.0162 -0.0463 0.0156 262 ASN A ND2 1977 N N . ARG A 261 ? 0.4558 0.4042 0.4529 -0.0179 -0.0532 0.0195 263 ARG A N 1978 C CA . ARG A 261 ? 0.4588 0.4071 0.4594 -0.0190 -0.0557 0.0217 263 ARG A CA 1979 C C . ARG A 261 ? 0.4211 0.3742 0.4281 -0.0186 -0.0550 0.0240 263 ARG A C 1980 O O . ARG A 261 ? 0.4726 0.4263 0.4829 -0.0197 -0.0570 0.0264 263 ARG A O 1981 C CB . ARG A 261 ? 0.4541 0.4010 0.4550 -0.0185 -0.0562 0.0210 263 ARG A CB 1982 C CG . ARG A 261 ? 0.4720 0.4137 0.4667 -0.0192 -0.0574 0.0191 263 ARG A CG 1983 C CD . ARG A 261 ? 0.4709 0.4113 0.4659 -0.0184 -0.0575 0.0182 263 ARG A CD 1984 N NE . ARG A 261 ? 0.4788 0.4219 0.4754 -0.0164 -0.0542 0.0168 263 ARG A NE 1985 C CZ . ARG A 261 ? 0.4991 0.4412 0.4951 -0.0154 -0.0534 0.0154 263 ARG A CZ 1986 N NH1 . ARG A 261 ? 0.3611 0.2994 0.3547 -0.0162 -0.0554 0.0150 263 ARG A NH1 1987 N NH2 . ARG A 261 ? 0.4610 0.4060 0.4587 -0.0136 -0.0505 0.0144 263 ARG A NH2 1988 N N . VAL A 262 ? 0.5187 0.4748 0.5272 -0.0170 -0.0520 0.0232 264 VAL A N 1989 C CA . VAL A 262 ? 0.4850 0.4455 0.4991 -0.0164 -0.0509 0.0251 264 VAL A CA 1990 C C . VAL A 262 ? 0.4781 0.4405 0.4917 -0.0160 -0.0491 0.0248 264 VAL A C 1991 O O . VAL A 262 ? 0.4310 0.3961 0.4483 -0.0162 -0.0489 0.0267 264 VAL A O 1992 C CB . VAL A 262 ? 0.4758 0.4389 0.4936 -0.0148 -0.0490 0.0249 264 VAL A CB 1993 C CG1 . VAL A 262 ? 0.4352 0.3973 0.4552 -0.0153 -0.0510 0.0260 264 VAL A CG1 1994 C CG2 . VAL A 262 ? 0.4109 0.3735 0.4255 -0.0134 -0.0466 0.0221 264 VAL A CG2 1995 N N . ALA A 263 ? 0.4215 0.3825 0.4305 -0.0155 -0.0477 0.0225 265 ALA A N 1996 C CA . ALA A 263 ? 0.4379 0.4006 0.4462 -0.0151 -0.0459 0.0221 265 ALA A CA 1997 C C . ALA A 263 ? 0.4373 0.3975 0.4415 -0.0166 -0.0474 0.0220 265 ALA A C 1998 O O . ALA A 263 ? 0.4759 0.4324 0.4756 -0.0172 -0.0486 0.0208 265 ALA A O 1999 C CB . ALA A 263 ? 0.3781 0.3416 0.3846 -0.0135 -0.0430 0.0198 265 ALA A CB 2000 N N . ALA A 264 ? 0.4773 0.4394 0.4830 -0.0170 -0.0472 0.0233 266 ALA A N 2001 C CA . ALA A 264 ? 0.4930 0.4532 0.4950 -0.0183 -0.0484 0.0233 266 ALA A CA 2002 C C . ALA A 264 ? 0.5398 0.4976 0.5360 -0.0178 -0.0472 0.0207 266 ALA A C 2003 O O . ALA A 264 ? 0.5267 0.4858 0.5225 -0.0163 -0.0446 0.0191 266 ALA A O 2004 C CB . ALA A 264 ? 0.4635 0.4268 0.4685 -0.0184 -0.0476 0.0248 266 ALA A CB 2005 N N . TYR A 265 ? 0.5178 0.4720 0.5094 -0.0192 -0.0491 0.0203 267 TYR A N 2006 C CA . TYR A 265 ? 0.4929 0.4447 0.4788 -0.0189 -0.0480 0.0181 267 TYR A CA 2007 C C . TYR A 265 ? 0.4925 0.4471 0.4789 -0.0184 -0.0461 0.0181 267 TYR A C 2008 O O . TYR A 265 ? 0.5488 0.5055 0.5383 -0.0191 -0.0467 0.0200 267 TYR A O 2009 C CB . TYR A 265 ? 0.4388 0.3862 0.4197 -0.0206 -0.0506 0.0180 267 TYR A CB 2010 C CG . TYR A 265 ? 0.4608 0.4048 0.4400 -0.0211 -0.0524 0.0175 267 TYR A CG 2011 C CD1 . TYR A 265 ? 0.5034 0.4444 0.4777 -0.0204 -0.0516 0.0151 267 TYR A CD1 2012 C CD2 . TYR A 265 ? 0.4424 0.3863 0.4247 -0.0222 -0.0549 0.0194 267 TYR A CD2 2013 C CE1 . TYR A 265 ? 0.4862 0.4239 0.4587 -0.0208 -0.0532 0.0145 267 TYR A CE1 2014 C CE2 . TYR A 265 ? 0.4722 0.4129 0.4529 -0.0227 -0.0567 0.0190 267 TYR A CE2 2015 C CZ . TYR A 265 ? 0.5179 0.4554 0.4936 -0.0220 -0.0558 0.0165 267 TYR A CZ 2016 O OH . TYR A 265 ? 0.4619 0.3960 0.4358 -0.0224 -0.0574 0.0160 267 TYR A OH 2017 N N . ARG A 266 ? 0.4725 0.4270 0.4561 -0.0171 -0.0437 0.0161 268 ARG A N 2018 C CA . ARG A 266 ? 0.4791 0.4361 0.4632 -0.0166 -0.0418 0.0160 268 ARG A CA 2019 C C . ARG A 266 ? 0.5110 0.4658 0.4894 -0.0164 -0.0408 0.0141 268 ARG A C 2020 O O . ARG A 266 ? 0.5673 0.5241 0.5457 -0.0154 -0.0386 0.0135 268 ARG A O 2021 C CB . ARG A 266 ? 0.4632 0.4241 0.4515 -0.0149 -0.0393 0.0159 268 ARG A CB 2022 C CG . ARG A 266 ? 0.4461 0.4065 0.4327 -0.0134 -0.0373 0.0137 268 ARG A CG 2023 C CD . ARG A 266 ? 0.4100 0.3742 0.4013 -0.0120 -0.0352 0.0140 268 ARG A CD 2024 N NE . ARG A 266 ? 0.4388 0.4031 0.4285 -0.0104 -0.0329 0.0120 268 ARG A NE 2025 C CZ . ARG A 266 ? 0.4113 0.3780 0.4042 -0.0092 -0.0313 0.0118 268 ARG A CZ 2026 N NH1 . ARG A 266 ? 0.3944 0.3636 0.3921 -0.0092 -0.0316 0.0134 268 ARG A NH1 2027 N NH2 . ARG A 266 ? 0.4328 0.3995 0.4242 -0.0079 -0.0293 0.0101 268 ARG A NH2 2028 N N . GLY A 267 ? 0.5220 0.4727 0.4956 -0.0172 -0.0423 0.0132 269 GLY A N 2029 C CA . GLY A 267 ? 0.5481 0.4962 0.5160 -0.0170 -0.0414 0.0115 269 GLY A CA 2030 C C . GLY A 267 ? 0.5599 0.5085 0.5266 -0.0180 -0.0419 0.0123 269 GLY A C 2031 O O . GLY A 267 ? 0.6381 0.5863 0.6058 -0.0196 -0.0443 0.0141 269 GLY A O 2032 N N . ILE A 268 ? 0.5727 0.5221 0.5374 -0.0171 -0.0398 0.0112 270 ILE A N 2033 C CA . ILE A 268 ? 0.5850 0.5348 0.5483 -0.0180 -0.0401 0.0119 270 ILE A CA 2034 C C . ILE A 268 ? 0.6130 0.5583 0.5712 -0.0196 -0.0426 0.0119 270 ILE A C 2035 O O . ILE A 268 ? 0.6036 0.5452 0.5570 -0.0195 -0.0427 0.0103 270 ILE A O 2036 C CB . ILE A 268 ? 0.6198 0.5707 0.5812 -0.0166 -0.0372 0.0105 270 ILE A CB 2037 C CG1 . ILE A 268 ? 0.5553 0.5104 0.5215 -0.0150 -0.0348 0.0104 270 ILE A CG1 2038 C CG2 . ILE A 268 ? 0.6088 0.5602 0.5690 -0.0176 -0.0376 0.0113 270 ILE A CG2 2039 C CD1 . ILE A 268 ? 0.5381 0.4967 0.5102 -0.0154 -0.0354 0.0125 270 ILE A CD1 2040 N N . ALA A 269 ? 0.6354 0.5811 0.5946 -0.0212 -0.0445 0.0137 271 ALA A N 2041 C CA . ALA A 269 ? 0.6811 0.6229 0.6362 -0.0231 -0.0474 0.0142 271 ALA A CA 2042 C C . ALA A 269 ? 0.7147 0.6529 0.6628 -0.0231 -0.0469 0.0124 271 ALA A C 2043 O O . ALA A 269 ? 0.6467 0.5863 0.5937 -0.0224 -0.0450 0.0118 271 ALA A O 2044 C CB . ALA A 269 ? 0.6855 0.6289 0.6434 -0.0247 -0.0493 0.0166 271 ALA A CB 2045 N N . ASN A 270 ? 0.7355 0.6691 0.6790 -0.0239 -0.0486 0.0115 272 ASN A N 2046 C CA . ASN A 270 ? 0.7584 0.6878 0.6946 -0.0240 -0.0484 0.0098 272 ASN A CA 2047 C C . ASN A 270 ? 0.7482 0.6779 0.6824 -0.0219 -0.0450 0.0076 272 ASN A C 2048 O O . ASN A 270 ? 0.7320 0.6590 0.6606 -0.0217 -0.0442 0.0063 272 ASN A O 2049 C CB . ASN A 270 ? 0.8264 0.7554 0.7605 -0.0254 -0.0495 0.0107 272 ASN A CB 2050 C CG . ASN A 270 ? 0.8518 0.7803 0.7876 -0.0276 -0.0529 0.0130 272 ASN A CG 2051 O OD1 . ASN A 270 ? 0.8726 0.7988 0.8084 -0.0284 -0.0551 0.0134 272 ASN A OD1 2052 N ND2 . ASN A 270 ? 0.8862 0.8168 0.8237 -0.0285 -0.0535 0.0146 272 ASN A ND2 2053 N N . ALA A 271 ? 0.6552 0.5881 0.5938 -0.0203 -0.0430 0.0073 273 ALA A N 2054 C CA . ALA A 271 ? 0.5967 0.5298 0.5337 -0.0183 -0.0399 0.0054 273 ALA A CA 2055 C C . ALA A 271 ? 0.5600 0.4889 0.4930 -0.0179 -0.0402 0.0037 273 ALA A C 2056 O O . ALA A 271 ? 0.6318 0.5589 0.5609 -0.0167 -0.0382 0.0019 273 ALA A O 2057 C CB . ALA A 271 ? 0.5935 0.5315 0.5367 -0.0169 -0.0379 0.0057 273 ALA A CB 2058 N N . GLY A 272 ? 0.5920 0.5192 0.5259 -0.0189 -0.0426 0.0044 274 GLY A N 2059 C CA . GLY A 272 ? 0.6477 0.5711 0.5785 -0.0186 -0.0429 0.0030 274 GLY A CA 2060 C C . GLY A 272 ? 0.5939 0.5200 0.5294 -0.0171 -0.0414 0.0027 274 GLY A C 2061 O O . GLY A 272 ? 0.6120 0.5426 0.5533 -0.0167 -0.0407 0.0039 274 GLY A O 2062 N N . VAL A 273 ? 0.6620 0.5852 0.5950 -0.0163 -0.0410 0.0012 275 VAL A N 2063 C CA . VAL A 273 ? 0.5910 0.5166 0.5282 -0.0149 -0.0395 0.0009 275 VAL A CA 2064 C C . VAL A 273 ? 0.5807 0.5098 0.5197 -0.0130 -0.0361 0.0001 275 VAL A C 2065 O O . VAL A 273 ? 0.5911 0.5192 0.5263 -0.0124 -0.0344 -0.0010 275 VAL A O 2066 C CB . VAL A 273 ? 0.6017 0.5231 0.5356 -0.0145 -0.0399 -0.0006 275 VAL A CB 2067 C CG1 . VAL A 273 ? 0.6789 0.5976 0.6074 -0.0132 -0.0375 -0.0027 275 VAL A CG1 2068 C CG2 . VAL A 273 ? 0.6188 0.5426 0.5579 -0.0137 -0.0395 -0.0003 275 VAL A CG2 2069 N N . LYS A 274 ? 0.5515 0.4848 0.4964 -0.0122 -0.0351 0.0009 276 LYS A N 2070 C CA . LYS A 274 ? 0.5060 0.4428 0.4531 -0.0104 -0.0320 0.0002 276 LYS A CA 2071 C C . LYS A 274 ? 0.4944 0.4327 0.4451 -0.0092 -0.0310 -0.0001 276 LYS A C 2072 O O . LYS A 274 ? 0.4537 0.3918 0.4068 -0.0099 -0.0328 0.0007 276 LYS A O 2073 C CB . LYS A 274 ? 0.4815 0.4226 0.4325 -0.0106 -0.0314 0.0016 276 LYS A CB 2074 C CG . LYS A 274 ? 0.5251 0.4653 0.4728 -0.0114 -0.0318 0.0018 276 LYS A CG 2075 C CD . LYS A 274 ? 0.4675 0.4058 0.4104 -0.0103 -0.0296 0.0001 276 LYS A CD 2076 C CE . LYS A 274 ? 0.5877 0.5250 0.5271 -0.0112 -0.0300 0.0004 276 LYS A CE 2077 N NZ . LYS A 274 ? 0.5974 0.5322 0.5315 -0.0103 -0.0282 -0.0013 276 LYS A NZ 2078 N N . ILE A 275 ? 0.5457 0.4857 0.4970 -0.0075 -0.0282 -0.0011 277 ILE A N 2079 C CA . ILE A 275 ? 0.5258 0.4677 0.4808 -0.0064 -0.0271 -0.0013 277 ILE A CA 2080 C C . ILE A 275 ? 0.4782 0.4253 0.4384 -0.0056 -0.0255 -0.0004 277 ILE A C 2081 O O . ILE A 275 ? 0.5073 0.4560 0.4669 -0.0052 -0.0239 -0.0006 277 ILE A O 2082 C CB . ILE A 275 ? 0.5548 0.4944 0.5065 -0.0050 -0.0253 -0.0032 277 ILE A CB 2083 C CG1 . ILE A 275 ? 0.5891 0.5305 0.5447 -0.0039 -0.0244 -0.0033 277 ILE A CG1 2084 C CG2 . ILE A 275 ? 0.5740 0.5142 0.5234 -0.0039 -0.0228 -0.0040 277 ILE A CG2 2085 C CD1 . ILE A 275 ? 0.5761 0.5149 0.5287 -0.0027 -0.0228 -0.0050 277 ILE A CD1 2086 N N . GLU A 276 ? 0.4518 0.4015 0.4170 -0.0055 -0.0259 0.0005 278 GLU A N 2087 C CA . GLU A 276 ? 0.4721 0.4264 0.4420 -0.0046 -0.0242 0.0012 278 GLU A CA 2088 C C . GLU A 276 ? 0.3798 0.3350 0.3515 -0.0032 -0.0226 0.0003 278 GLU A C 2089 O O . GLU A 276 ? 0.3678 0.3208 0.3388 -0.0032 -0.0235 -0.0001 278 GLU A O 2090 C CB . GLU A 276 ? 0.4139 0.3707 0.3884 -0.0056 -0.0257 0.0031 278 GLU A CB 2091 C CG . GLU A 276 ? 0.4676 0.4261 0.4425 -0.0062 -0.0258 0.0040 278 GLU A CG 2092 C CD . GLU A 276 ? 0.5455 0.5066 0.5251 -0.0071 -0.0271 0.0060 278 GLU A CD 2093 O OE1 . GLU A 276 ? 0.5269 0.4890 0.5099 -0.0069 -0.0277 0.0066 278 GLU A OE1 2094 O OE2 . GLU A 276 ? 0.5022 0.4642 0.4821 -0.0078 -0.0276 0.0069 278 GLU A OE2 2095 N N . CYS A 277 ? 0.4207 0.3790 0.3946 -0.0021 -0.0204 0.0002 279 CYS A N 2096 C CA . CYS A 277 ? 0.4385 0.3979 0.4140 -0.0007 -0.0187 -0.0006 279 CYS A CA 2097 C C . CYS A 277 ? 0.4051 0.3689 0.3854 0.0000 -0.0173 0.0001 279 CYS A C 2098 O O . CYS A 277 ? 0.3541 0.3195 0.3346 0.0011 -0.0152 -0.0004 279 CYS A O 2099 C CB . CYS A 277 ? 0.3629 0.3203 0.3343 0.0003 -0.0168 -0.0022 279 CYS A CB 2100 S SG . CYS A 277 ? 0.5644 0.5162 0.5301 -0.0001 -0.0180 -0.0034 279 CYS A SG 2101 N N . PRO A 278 ? 0.3586 0.3242 0.3428 -0.0005 -0.0185 0.0015 280 PRO A N 2102 C CA . PRO A 278 ? 0.3805 0.3500 0.3692 0.0002 -0.0173 0.0022 280 PRO A CA 2103 C C . PRO A 278 ? 0.3826 0.3529 0.3726 0.0014 -0.0159 0.0014 280 PRO A C 2104 O O . PRO A 278 ? 0.3638 0.3320 0.3529 0.0015 -0.0165 0.0009 280 PRO A O 2105 C CB . PRO A 278 ? 0.3452 0.3158 0.3372 -0.0008 -0.0192 0.0037 280 PRO A CB 2106 C CG . PRO A 278 ? 0.3447 0.3119 0.3345 -0.0017 -0.0213 0.0036 280 PRO A CG 2107 C CD . PRO A 278 ? 0.3080 0.2722 0.2926 -0.0018 -0.0211 0.0025 280 PRO A CD 2108 N N . SER A 279 ? 0.3411 0.3143 0.3333 0.0023 -0.0140 0.0014 281 SER A N 2109 C CA . SER A 279 ? 0.3027 0.2770 0.2965 0.0035 -0.0126 0.0008 281 SER A CA 2110 C C . SER A 279 ? 0.3420 0.3187 0.3403 0.0035 -0.0131 0.0019 281 SER A C 2111 O O . SER A 279 ? 0.3433 0.3220 0.3440 0.0030 -0.0135 0.0030 281 SER A O 2112 C CB . SER A 279 ? 0.2713 0.2474 0.2649 0.0045 -0.0103 0.0003 281 SER A CB 2113 O OG . SER A 279 ? 0.2647 0.2387 0.2543 0.0045 -0.0097 -0.0006 281 SER A OG 2114 N N . LYS A 280 ? 0.4155 0.3918 0.4149 0.0040 -0.0130 0.0016 282 LYS A N 2115 C CA . LYS A 280 ? 0.4220 0.4007 0.4257 0.0042 -0.0133 0.0025 282 LYS A CA 2116 C C . LYS A 280 ? 0.3971 0.3771 0.4021 0.0054 -0.0116 0.0019 282 LYS A C 2117 O O . LYS A 280 ? 0.3678 0.3462 0.3707 0.0060 -0.0108 0.0008 282 LYS A O 2118 C CB . LYS A 280 ? 0.3979 0.3749 0.4023 0.0034 -0.0153 0.0031 282 LYS A CB 2119 C CG . LYS A 280 ? 0.4745 0.4505 0.4781 0.0022 -0.0172 0.0040 282 LYS A CG 2120 C CD . LYS A 280 ? 0.5374 0.5136 0.5438 0.0015 -0.0190 0.0053 282 LYS A CD 2121 C CE . LYS A 280 ? 0.5503 0.5256 0.5561 0.0002 -0.0208 0.0064 282 LYS A CE 2122 N NZ . LYS A 280 ? 0.4563 0.4316 0.4649 -0.0005 -0.0227 0.0078 282 LYS A NZ 2123 N N . ILE A 281 ? 0.3187 0.3016 0.3274 0.0057 -0.0110 0.0027 283 ILE A N 2124 C CA . ILE A 281 ? 0.2735 0.2579 0.2840 0.0067 -0.0097 0.0023 283 ILE A CA 2125 C C . ILE A 281 ? 0.3041 0.2881 0.3166 0.0067 -0.0107 0.0027 283 ILE A C 2126 O O . ILE A 281 ? 0.3238 0.3088 0.3388 0.0062 -0.0118 0.0038 283 ILE A O 2127 C CB . ILE A 281 ? 0.2740 0.2616 0.2871 0.0071 -0.0085 0.0029 283 ILE A CB 2128 C CG1 . ILE A 281 ? 0.2814 0.2695 0.2927 0.0071 -0.0074 0.0026 283 ILE A CG1 2129 C CG2 . ILE A 281 ? 0.2178 0.2070 0.2329 0.0080 -0.0072 0.0027 283 ILE A CG2 2130 C CD1 . ILE A 281 ? 0.3164 0.3075 0.3299 0.0074 -0.0063 0.0031 283 ILE A CD1 2131 N N . LEU A 282 ? 0.3218 0.3042 0.3331 0.0072 -0.0104 0.0018 284 LEU A N 2132 C CA . LEU A 282 ? 0.2804 0.2620 0.2932 0.0072 -0.0115 0.0020 284 LEU A CA 2133 C C . LEU A 282 ? 0.3005 0.2834 0.3151 0.0082 -0.0102 0.0017 284 LEU A C 2134 O O . LEU A 282 ? 0.2934 0.2767 0.3070 0.0090 -0.0086 0.0009 284 LEU A O 2135 C CB . LEU A 282 ? 0.2503 0.2281 0.2598 0.0067 -0.0128 0.0013 284 LEU A CB 2136 C CG . LEU A 282 ? 0.3311 0.3074 0.3391 0.0055 -0.0146 0.0019 284 LEU A CG 2137 C CD1 . LEU A 282 ? 0.3267 0.2991 0.3314 0.0050 -0.0159 0.0011 284 LEU A CD1 2138 C CD2 . LEU A 282 ? 0.2691 0.2473 0.2807 0.0049 -0.0158 0.0034 284 LEU A CD2 2139 N N . ASN A 283 ? 0.2337 0.2174 0.2511 0.0083 -0.0109 0.0024 285 ASN A N 2140 C CA . ASN A 283 ? 0.2722 0.2568 0.2914 0.0091 -0.0100 0.0021 285 ASN A CA 2141 C C . ASN A 283 ? 0.2937 0.2755 0.3105 0.0094 -0.0100 0.0010 285 ASN A C 2142 O O . ASN A 283 ? 0.2756 0.2545 0.2899 0.0088 -0.0113 0.0007 285 ASN A O 2143 C CB . ASN A 283 ? 0.2619 0.2482 0.2848 0.0090 -0.0108 0.0032 285 ASN A CB 2144 C CG . ASN A 283 ? 0.2724 0.2618 0.2978 0.0090 -0.0102 0.0042 285 ASN A CG 2145 O OD1 . ASN A 283 ? 0.2552 0.2461 0.2803 0.0094 -0.0089 0.0040 285 ASN A OD1 2146 N ND2 . ASN A 283 ? 0.2750 0.2654 0.3030 0.0087 -0.0113 0.0054 285 ASN A ND2 2147 N N . PRO A 284 ? 0.3009 0.2833 0.3184 0.0104 -0.0087 0.0005 286 PRO A N 2148 C CA . PRO A 284 ? 0.2562 0.2357 0.2717 0.0107 -0.0087 -0.0005 286 PRO A CA 2149 C C . PRO A 284 ? 0.2797 0.2577 0.2961 0.0102 -0.0106 -0.0001 286 PRO A C 2150 O O . PRO A 284 ? 0.3085 0.2885 0.3281 0.0100 -0.0113 0.0009 286 PRO A O 2151 C CB . PRO A 284 ? 0.2278 0.2089 0.2448 0.0118 -0.0069 -0.0008 286 PRO A CB 2152 C CG . PRO A 284 ? 0.2506 0.2349 0.2691 0.0120 -0.0057 -0.0003 286 PRO A CG 2153 C CD . PRO A 284 ? 0.2807 0.2662 0.3006 0.0111 -0.0070 0.0007 286 PRO A CD 2154 N N . GLY A 285 ? 0.2867 0.2611 0.3001 0.0099 -0.0115 -0.0009 287 GLY A N 2155 C CA . GLY A 285 ? 0.2730 0.2456 0.2870 0.0094 -0.0134 -0.0006 287 GLY A CA 2156 C C . GLY A 285 ? 0.3069 0.2753 0.3166 0.0088 -0.0145 -0.0015 287 GLY A C 2157 O O . GLY A 285 ? 0.3251 0.2919 0.3314 0.0090 -0.0136 -0.0025 287 GLY A O 2158 N N . THR A 286 ? 0.2359 0.2022 0.2457 0.0082 -0.0165 -0.0012 288 THR A N 2159 C CA . THR A 286 ? 0.2622 0.2242 0.2678 0.0075 -0.0179 -0.0020 288 THR A CA 2160 C C . THR A 286 ? 0.2957 0.2574 0.3014 0.0061 -0.0200 -0.0009 288 THR A C 2161 O O . THR A 286 ? 0.2666 0.2301 0.2759 0.0057 -0.0212 0.0004 288 THR A O 2162 C CB . THR A 286 ? 0.2774 0.2367 0.2826 0.0076 -0.0187 -0.0025 288 THR A CB 2163 O OG1 . THR A 286 ? 0.3346 0.2938 0.3393 0.0089 -0.0167 -0.0035 288 THR A OG1 2164 C CG2 . THR A 286 ? 0.2691 0.2238 0.2700 0.0067 -0.0205 -0.0031 288 THR A CG2 2165 N N . TYR A 287 ? 0.2868 0.2465 0.2888 0.0055 -0.0204 -0.0014 289 TYR A N 2166 C CA . TYR A 287 ? 0.3439 0.3034 0.3459 0.0042 -0.0223 -0.0003 289 TYR A CA 2167 C C . TYR A 287 ? 0.3691 0.3240 0.3672 0.0032 -0.0243 -0.0008 289 TYR A C 2168 O O . TYR A 287 ? 0.3954 0.3472 0.3900 0.0036 -0.0239 -0.0022 289 TYR A O 2169 C CB . TYR A 287 ? 0.3145 0.2757 0.3155 0.0042 -0.0211 -0.0003 289 TYR A CB 2170 C CG . TYR A 287 ? 0.2693 0.2349 0.2742 0.0050 -0.0194 0.0004 289 TYR A CG 2171 C CD1 . TYR A 287 ? 0.2996 0.2665 0.3048 0.0063 -0.0171 -0.0005 289 TYR A CD1 2172 C CD2 . TYR A 287 ? 0.2564 0.2248 0.2647 0.0045 -0.0201 0.0019 289 TYR A CD2 2173 C CE1 . TYR A 287 ? 0.2816 0.2523 0.2901 0.0069 -0.0157 0.0001 289 TYR A CE1 2174 C CE2 . TYR A 287 ? 0.3085 0.2806 0.3199 0.0052 -0.0185 0.0024 289 TYR A CE2 2175 C CZ . TYR A 287 ? 0.2857 0.2589 0.2972 0.0064 -0.0164 0.0015 289 TYR A CZ 2176 O OH . TYR A 287 ? 0.2433 0.2202 0.2579 0.0070 -0.0151 0.0021 289 TYR A OH 2177 N N . SER A 288 ? 0.3278 0.2824 0.3267 0.0019 -0.0266 0.0005 290 SER A N 2178 C CA . SER A 288 ? 0.3322 0.2825 0.3279 0.0007 -0.0290 0.0003 290 SER A CA 2179 C C . SER A 288 ? 0.3125 0.2617 0.3056 -0.0004 -0.0301 0.0006 290 SER A C 2180 O O . SER A 288 ? 0.2875 0.2396 0.2826 -0.0006 -0.0297 0.0016 290 SER A O 2181 C CB . SER A 288 ? 0.3532 0.3036 0.3521 0.0000 -0.0312 0.0016 290 SER A CB 2182 O OG . SER A 288 ? 0.3871 0.3378 0.3877 0.0010 -0.0304 0.0012 290 SER A OG 2183 N N . ILE A 289 ? 0.3496 0.2943 0.3380 -0.0013 -0.0315 -0.0001 291 ILE A N 2184 C CA . ILE A 289 ? 0.3476 0.2907 0.3331 -0.0025 -0.0328 0.0002 291 ILE A CA 2185 C C . ILE A 289 ? 0.4170 0.3565 0.4008 -0.0040 -0.0360 0.0008 291 ILE A C 2186 O O . ILE A 289 ? 0.4159 0.3522 0.3978 -0.0041 -0.0368 -0.0001 291 ILE A O 2187 C CB . ILE A 289 ? 0.3340 0.2749 0.3143 -0.0020 -0.0312 -0.0015 291 ILE A CB 2188 C CG1 . ILE A 289 ? 0.3467 0.2912 0.3287 -0.0005 -0.0282 -0.0020 291 ILE A CG1 2189 C CG2 . ILE A 289 ? 0.3280 0.2671 0.3052 -0.0033 -0.0326 -0.0012 291 ILE A CG2 2190 C CD1 . ILE A 289 ? 0.2742 0.2169 0.2514 0.0001 -0.0264 -0.0035 291 ILE A CD1 2191 N N . LYS A 290 ? 0.4078 0.3480 0.3926 -0.0054 -0.0378 0.0022 292 LYS A N 2192 C CA . LYS A 290 ? 0.3686 0.3052 0.3512 -0.0071 -0.0409 0.0029 292 LYS A CA 2193 C C . LYS A 290 ? 0.4193 0.3547 0.3986 -0.0080 -0.0414 0.0030 292 LYS A C 2194 O O . LYS A 290 ? 0.3577 0.2966 0.3394 -0.0080 -0.0406 0.0039 292 LYS A O 2195 C CB . LYS A 290 ? 0.3656 0.3041 0.3532 -0.0079 -0.0429 0.0051 292 LYS A CB 2196 C CG . LYS A 290 ? 0.4022 0.3413 0.3929 -0.0072 -0.0428 0.0051 292 LYS A CG 2197 C CD . LYS A 290 ? 0.4127 0.3468 0.3993 -0.0075 -0.0441 0.0038 292 LYS A CD 2198 C CE . LYS A 290 ? 0.3827 0.3175 0.3724 -0.0068 -0.0441 0.0039 292 LYS A CE 2199 N NZ . LYS A 290 ? 0.4401 0.3776 0.4314 -0.0049 -0.0409 0.0028 292 LYS A NZ 2200 N N . SER A 291 ? 0.3939 0.3246 0.3678 -0.0089 -0.0428 0.0020 293 SER A N 2201 C CA . SER A 291 ? 0.3913 0.3204 0.3615 -0.0099 -0.0434 0.0020 293 SER A CA 2202 C C . SER A 291 ? 0.4558 0.3806 0.4228 -0.0118 -0.0468 0.0025 293 SER A C 2203 O O . SER A 291 ? 0.4343 0.3563 0.4005 -0.0122 -0.0484 0.0023 293 SER A O 2204 C CB . SER A 291 ? 0.3637 0.2912 0.3291 -0.0088 -0.0410 -0.0001 293 SER A CB 2205 O OG . SER A 291 ? 0.4154 0.3378 0.3756 -0.0089 -0.0416 -0.0017 293 SER A OG 2206 N N . THR A 292 ? 0.4534 0.3778 0.4188 -0.0130 -0.0479 0.0032 294 THR A N 2207 C CA . THR A 292 ? 0.5160 0.4358 0.4772 -0.0148 -0.0509 0.0035 294 THR A CA 2208 C C . THR A 292 ? 0.4808 0.3954 0.4355 -0.0144 -0.0504 0.0011 294 THR A C 2209 O O . THR A 292 ? 0.4325 0.3474 0.3852 -0.0129 -0.0475 -0.0005 294 THR A O 2210 C CB . THR A 292 ? 0.4849 0.4053 0.4449 -0.0160 -0.0516 0.0044 294 THR A CB 2211 O OG1 . THR A 292 ? 0.5119 0.4287 0.4696 -0.0181 -0.0551 0.0054 294 THR A OG1 2212 C CG2 . THR A 292 ? 0.4536 0.3728 0.4087 -0.0152 -0.0494 0.0026 294 THR A CG2 2213 N N . PRO A 293 ? 0.5053 0.4153 0.4570 -0.0157 -0.0531 0.0010 295 PRO A N 2214 C CA . PRO A 293 ? 0.5089 0.4137 0.4547 -0.0153 -0.0528 -0.0011 295 PRO A CA 2215 C C . PRO A 293 ? 0.5144 0.4169 0.4543 -0.0146 -0.0507 -0.0030 295 PRO A C 2216 O O . PRO A 293 ? 0.5280 0.4288 0.4653 -0.0131 -0.0486 -0.0049 295 PRO A O 2217 C CB . PRO A 293 ? 0.4505 0.3508 0.3937 -0.0174 -0.0567 -0.0004 295 PRO A CB 2218 C CG . PRO A 293 ? 0.5106 0.4146 0.4605 -0.0183 -0.0585 0.0021 295 PRO A CG 2219 C CD . PRO A 293 ? 0.4664 0.3761 0.4207 -0.0175 -0.0565 0.0031 295 PRO A CD 2220 N N . ARG A 294 ? 0.7419 0.6445 0.6799 -0.0155 -0.0513 -0.0025 296 ARG A N 2221 C CA . ARG A 294 ? 0.7555 0.6554 0.6874 -0.0151 -0.0498 -0.0042 296 ARG A CA 2222 C C . ARG A 294 ? 0.7794 0.6824 0.7122 -0.0129 -0.0458 -0.0053 296 ARG A C 2223 O O . ARG A 294 ? 0.7734 0.6735 0.7015 -0.0118 -0.0439 -0.0072 296 ARG A O 2224 C CB . ARG A 294 ? 0.8000 0.6997 0.7302 -0.0167 -0.0514 -0.0031 296 ARG A CB 2225 C CG . ARG A 294 ? 0.8384 0.7345 0.7615 -0.0165 -0.0503 -0.0047 296 ARG A CG 2226 C CD . ARG A 294 ? 0.8612 0.7505 0.7775 -0.0178 -0.0526 -0.0057 296 ARG A CD 2227 N NE . ARG A 294 ? 0.9626 0.8491 0.8733 -0.0188 -0.0532 -0.0060 296 ARG A NE 2228 C CZ . ARG A 294 ? 0.9563 0.8421 0.8630 -0.0176 -0.0506 -0.0075 296 ARG A CZ 2229 N NH1 . ARG A 294 ? 0.9063 0.7936 0.8138 -0.0154 -0.0472 -0.0088 296 ARG A NH1 2230 N NH2 . ARG A 294 ? 0.9010 0.7843 0.8028 -0.0187 -0.0513 -0.0076 296 ARG A NH2 2231 N N . PHE A 295 ? 0.5917 0.5005 0.5305 -0.0123 -0.0445 -0.0041 297 PHE A N 2232 C CA . PHE A 295 ? 0.5573 0.4693 0.4972 -0.0104 -0.0410 -0.0049 297 PHE A CA 2233 C C . PHE A 295 ? 0.5617 0.4784 0.5079 -0.0091 -0.0393 -0.0045 297 PHE A C 2234 O O . PHE A 295 ? 0.4997 0.4201 0.4513 -0.0096 -0.0403 -0.0027 297 PHE A O 2235 C CB . PHE A 295 ? 0.5397 0.4541 0.4797 -0.0109 -0.0405 -0.0042 297 PHE A CB 2236 C CG . PHE A 295 ? 0.5843 0.4944 0.5177 -0.0119 -0.0414 -0.0049 297 PHE A CG 2237 C CD1 . PHE A 295 ? 0.5943 0.4997 0.5216 -0.0112 -0.0405 -0.0069 297 PHE A CD1 2238 C CD2 . PHE A 295 ? 0.5831 0.4937 0.5164 -0.0134 -0.0432 -0.0036 297 PHE A CD2 2239 C CE1 . PHE A 295 ? 0.6111 0.5124 0.5321 -0.0121 -0.0413 -0.0076 297 PHE A CE1 2240 C CE2 . PHE A 295 ? 0.6673 0.5740 0.5944 -0.0144 -0.0441 -0.0042 297 PHE A CE2 2241 C CZ . PHE A 295 ? 0.6160 0.5179 0.5368 -0.0137 -0.0431 -0.0062 297 PHE A CZ 2242 N N . LEU A 296 ? 0.4413 0.3579 0.3867 -0.0074 -0.0367 -0.0060 298 LEU A N 2243 C CA . LEU A 296 ? 0.4329 0.3539 0.3838 -0.0060 -0.0349 -0.0057 298 LEU A CA 2244 C C . LEU A 296 ? 0.4032 0.3266 0.3541 -0.0043 -0.0315 -0.0066 298 LEU A C 2245 O O . LEU A 296 ? 0.4312 0.3518 0.3773 -0.0036 -0.0300 -0.0081 298 LEU A O 2246 C CB . LEU A 296 ? 0.4306 0.3494 0.3816 -0.0054 -0.0351 -0.0064 298 LEU A CB 2247 C CG . LEU A 296 ? 0.3789 0.3013 0.3343 -0.0037 -0.0327 -0.0067 298 LEU A CG 2248 C CD1 . LEU A 296 ? 0.3454 0.2727 0.3074 -0.0040 -0.0333 -0.0048 298 LEU A CD1 2249 C CD2 . LEU A 296 ? 0.3530 0.2724 0.3072 -0.0031 -0.0328 -0.0077 298 LEU A CD2 2250 N N . LEU A 297 ? 0.3704 0.2990 0.3266 -0.0037 -0.0302 -0.0056 299 LEU A N 2251 C CA . LEU A 297 ? 0.3613 0.2927 0.3181 -0.0021 -0.0271 -0.0062 299 LEU A CA 2252 C C . LEU A 297 ? 0.3286 0.2632 0.2901 -0.0008 -0.0255 -0.0061 299 LEU A C 2253 O O . LEU A 297 ? 0.2706 0.2077 0.2367 -0.0012 -0.0266 -0.0049 299 LEU A O 2254 C CB . LEU A 297 ? 0.3488 0.2834 0.3073 -0.0026 -0.0268 -0.0052 299 LEU A CB 2255 C CG . LEU A 297 ? 0.3975 0.3296 0.3515 -0.0037 -0.0278 -0.0053 299 LEU A CG 2256 C CD1 . LEU A 297 ? 0.3741 0.3099 0.3310 -0.0043 -0.0280 -0.0038 299 LEU A CD1 2257 C CD2 . LEU A 297 ? 0.3153 0.2449 0.2641 -0.0027 -0.0257 -0.0070 299 LEU A CD2 2258 N N . VAL A 298 ? 0.3237 0.2582 0.2841 0.0007 -0.0230 -0.0074 300 VAL A N 2259 C CA . VAL A 298 ? 0.2906 0.2277 0.2550 0.0020 -0.0215 -0.0074 300 VAL A CA 2260 C C . VAL A 298 ? 0.3339 0.2740 0.2994 0.0034 -0.0185 -0.0078 300 VAL A C 2261 O O . VAL A 298 ? 0.3051 0.2433 0.2666 0.0041 -0.0169 -0.0089 300 VAL A O 2262 C CB . VAL A 298 ? 0.3859 0.3193 0.3482 0.0024 -0.0217 -0.0085 300 VAL A CB 2263 C CG1 . VAL A 298 ? 0.3132 0.2495 0.2800 0.0037 -0.0203 -0.0084 300 VAL A CG1 2264 C CG2 . VAL A 298 ? 0.3113 0.2415 0.2723 0.0009 -0.0248 -0.0081 300 VAL A CG2 2265 N N . PRO A 299 ? 0.3287 0.2735 0.2994 0.0038 -0.0177 -0.0068 301 PRO A N 2266 C CA . PRO A 299 ? 0.3398 0.2877 0.3120 0.0051 -0.0150 -0.0070 301 PRO A CA 2267 C C . PRO A 299 ? 0.3568 0.3035 0.3280 0.0066 -0.0130 -0.0082 301 PRO A C 2268 O O . PRO A 299 ? 0.3297 0.2757 0.3022 0.0068 -0.0135 -0.0084 301 PRO A O 2269 C CB . PRO A 299 ? 0.2952 0.2477 0.2733 0.0051 -0.0152 -0.0056 301 PRO A CB 2270 C CG . PRO A 299 ? 0.2984 0.2503 0.2774 0.0036 -0.0179 -0.0046 301 PRO A CG 2271 C CD . PRO A 299 ? 0.3085 0.2558 0.2839 0.0031 -0.0194 -0.0054 301 PRO A CD 2272 N N . LYS A 300 ? 0.2934 0.2402 0.2625 0.0075 -0.0108 -0.0089 302 LYS A N 2273 C CA . LYS A 300 ? 0.3487 0.2940 0.3163 0.0089 -0.0088 -0.0100 302 LYS A CA 2274 C C . LYS A 300 ? 0.3406 0.2898 0.3111 0.0102 -0.0063 -0.0098 302 LYS A C 2275 O O . LYS A 300 ? 0.3137 0.2626 0.2843 0.0115 -0.0045 -0.0104 302 LYS A O 2276 C CB . LYS A 300 ? 0.3744 0.3151 0.3358 0.0090 -0.0084 -0.0113 302 LYS A CB 2277 C CG . LYS A 300 ? 0.3196 0.2576 0.2788 0.0103 -0.0069 -0.0125 302 LYS A CG 2278 C CD . LYS A 300 ? 0.3306 0.2678 0.2919 0.0102 -0.0081 -0.0125 302 LYS A CD 2279 C CE . LYS A 300 ? 0.3392 0.2736 0.2983 0.0115 -0.0064 -0.0136 302 LYS A CE 2280 N NZ . LYS A 300 ? 0.3305 0.2634 0.2910 0.0113 -0.0079 -0.0137 302 LYS A NZ 2281 N N . ARG A 301 ? 0.2897 0.2425 0.2628 0.0098 -0.0061 -0.0088 303 ARG A N 2282 C CA . ARG A 301 ? 0.2765 0.2332 0.2527 0.0109 -0.0040 -0.0084 303 ARG A CA 2283 C C . ARG A 301 ? 0.2683 0.2291 0.2493 0.0103 -0.0047 -0.0071 303 ARG A C 2284 O O . ARG A 301 ? 0.2726 0.2334 0.2542 0.0092 -0.0067 -0.0065 303 ARG A O 2285 C CB . ARG A 301 ? 0.2487 0.2051 0.2220 0.0113 -0.0023 -0.0088 303 ARG A CB 2286 C CG . ARG A 301 ? 0.3265 0.2793 0.2954 0.0122 -0.0009 -0.0100 303 ARG A CG 2287 C CD . ARG A 301 ? 0.3575 0.3104 0.3240 0.0129 0.0010 -0.0102 303 ARG A CD 2288 N NE . ARG A 301 ? 0.4172 0.3669 0.3799 0.0140 0.0027 -0.0113 303 ARG A NE 2289 C CZ . ARG A 301 ? 0.3828 0.3320 0.3430 0.0148 0.0046 -0.0117 303 ARG A CZ 2290 N NH1 . ARG A 301 ? 0.3699 0.3217 0.3309 0.0146 0.0051 -0.0110 303 ARG A NH1 2291 N NH2 . ARG A 301 ? 0.4599 0.4060 0.4167 0.0159 0.0062 -0.0126 303 ARG A NH2 2292 N N . SER A 302 ? 0.2591 0.2233 0.2433 0.0112 -0.0030 -0.0067 304 SER A N 2293 C CA . SER A 302 ? 0.2713 0.2395 0.2597 0.0108 -0.0033 -0.0056 304 SER A CA 2294 C C . SER A 302 ? 0.2583 0.2295 0.2484 0.0117 -0.0011 -0.0053 304 SER A C 2295 O O . SER A 302 ? 0.2651 0.2353 0.2533 0.0127 0.0006 -0.0060 304 SER A O 2296 C CB . SER A 302 ? 0.2655 0.2350 0.2576 0.0106 -0.0043 -0.0050 304 SER A CB 2297 O OG . SER A 302 ? 0.2743 0.2451 0.2685 0.0117 -0.0028 -0.0051 304 SER A OG 2298 N N . TYR A 303 ? 0.2493 0.2239 0.2428 0.0114 -0.0012 -0.0044 305 TYR A N 2299 C CA . TYR A 303 ? 0.2203 0.1981 0.2162 0.0122 0.0006 -0.0040 305 TYR A CA 2300 C C . TYR A 303 ? 0.2669 0.2471 0.2670 0.0123 0.0004 -0.0033 305 TYR A C 2301 O O . TYR A 303 ? 0.2375 0.2186 0.2396 0.0116 -0.0011 -0.0027 305 TYR A O 2302 C CB . TYR A 303 ? 0.2151 0.1949 0.2113 0.0118 0.0009 -0.0034 305 TYR A CB 2303 C CG . TYR A 303 ? 0.2761 0.2544 0.2687 0.0121 0.0020 -0.0040 305 TYR A CG 2304 C CD1 . TYR A 303 ? 0.2185 0.1941 0.2076 0.0115 0.0011 -0.0044 305 TYR A CD1 2305 C CD2 . TYR A 303 ? 0.2246 0.2042 0.2176 0.0132 0.0041 -0.0041 305 TYR A CD2 2306 C CE1 . TYR A 303 ? 0.1940 0.1682 0.1797 0.0118 0.0022 -0.0049 305 TYR A CE1 2307 C CE2 . TYR A 303 ? 0.1895 0.1678 0.1793 0.0135 0.0053 -0.0045 305 TYR A CE2 2308 C CZ . TYR A 303 ? 0.2291 0.2046 0.2152 0.0129 0.0043 -0.0049 305 TYR A CZ 2309 O OH . TYR A 303 ? 0.2169 0.1911 0.1997 0.0133 0.0055 -0.0054 305 TYR A OH 2310 N N . CYS A 304 ? 0.2520 0.2333 0.2536 0.0133 0.0018 -0.0034 306 CYS A N 2311 C CA . CYS A 304 ? 0.2364 0.2197 0.2417 0.0135 0.0017 -0.0029 306 CYS A CA 2312 C C . CYS A 304 ? 0.2648 0.2517 0.2730 0.0136 0.0025 -0.0021 306 CYS A C 2313 O O . CYS A 304 ? 0.2672 0.2551 0.2751 0.0141 0.0040 -0.0021 306 CYS A O 2314 C CB . CYS A 304 ? 0.2363 0.2185 0.2416 0.0145 0.0027 -0.0035 306 CYS A CB 2315 S SG . CYS A 304 ? 0.3006 0.2857 0.3104 0.0150 0.0032 -0.0028 306 CYS A SG 2316 N N . PHE A 305 ? 0.2050 0.1938 0.2161 0.0131 0.0015 -0.0013 307 PHE A N 2317 C CA . PHE A 305 ? 0.1491 0.1411 0.1629 0.0131 0.0021 -0.0005 307 PHE A CA 2318 C C . PHE A 305 ? 0.1767 0.1704 0.1939 0.0133 0.0019 0.0000 307 PHE A C 2319 O O . PHE A 305 ? 0.1864 0.1790 0.2041 0.0131 0.0008 0.0000 307 PHE A O 2320 C CB . PHE A 305 ? 0.1972 0.1900 0.2111 0.0122 0.0012 0.0001 307 PHE A CB 2321 C CG . PHE A 305 ? 0.1767 0.1684 0.1878 0.0120 0.0014 -0.0003 307 PHE A CG 2322 C CD1 . PHE A 305 ? 0.1749 0.1639 0.1832 0.0115 0.0004 -0.0008 307 PHE A CD1 2323 C CD2 . PHE A 305 ? 0.1542 0.1476 0.1653 0.0122 0.0026 0.0000 307 PHE A CD2 2324 C CE1 . PHE A 305 ? 0.1677 0.1556 0.1732 0.0112 0.0006 -0.0010 307 PHE A CE1 2325 C CE2 . PHE A 305 ? 0.1980 0.1905 0.2066 0.0119 0.0028 -0.0003 307 PHE A CE2 2326 C CZ . PHE A 305 ? 0.1532 0.1429 0.1589 0.0115 0.0018 -0.0008 307 PHE A CZ 2327 N N . ASP A 306 ? 0.2215 0.2178 0.2409 0.0136 0.0028 0.0006 308 ASP A N 2328 C CA . ASP A 306 ? 0.2362 0.2343 0.2588 0.0136 0.0026 0.0012 308 ASP A CA 2329 C C . ASP A 306 ? 0.2812 0.2811 0.3053 0.0130 0.0019 0.0020 308 ASP A C 2330 O O . ASP A 306 ? 0.2738 0.2735 0.2965 0.0125 0.0016 0.0021 308 ASP A O 2331 C CB . ASP A 306 ? 0.2490 0.2487 0.2731 0.0144 0.0040 0.0014 308 ASP A CB 2332 C CG . ASP A 306 ? 0.2864 0.2878 0.3105 0.0144 0.0050 0.0017 308 ASP A CG 2333 O OD1 . ASP A 306 ? 0.2648 0.2681 0.2905 0.0140 0.0047 0.0024 308 ASP A OD1 2334 O OD2 . ASP A 306 ? 0.2782 0.2790 0.3007 0.0149 0.0061 0.0013 308 ASP A OD2 2335 N N . THR A 307 ? 0.2154 0.2169 0.2421 0.0130 0.0016 0.0026 309 THR A N 2336 C CA . THR A 307 ? 0.2342 0.2374 0.2624 0.0125 0.0011 0.0034 309 THR A CA 2337 C C . THR A 307 ? 0.2572 0.2627 0.2875 0.0128 0.0020 0.0039 309 THR A C 2338 O O . THR A 307 ? 0.2376 0.2445 0.2698 0.0126 0.0016 0.0046 309 THR A O 2339 C CB . THR A 307 ? 0.2007 0.2035 0.2301 0.0121 -0.0002 0.0039 309 THR A CB 2340 O OG1 . THR A 307 ? 0.2765 0.2788 0.3069 0.0125 -0.0004 0.0037 309 THR A OG1 2341 C CG2 . THR A 307 ? 0.1525 0.1532 0.1798 0.0115 -0.0013 0.0036 309 THR A CG2 2342 N N . ASP A 308 ? 0.2547 0.2608 0.2847 0.0132 0.0032 0.0037 310 ASP A N 2343 C CA . ASP A 308 ? 0.2442 0.2524 0.2760 0.0134 0.0040 0.0042 310 ASP A CA 2344 C C . ASP A 308 ? 0.2939 0.3034 0.3256 0.0130 0.0043 0.0046 310 ASP A C 2345 O O . ASP A 308 ? 0.2772 0.2884 0.3101 0.0131 0.0049 0.0051 310 ASP A O 2346 C CB . ASP A 308 ? 0.2372 0.2455 0.2692 0.0141 0.0051 0.0040 310 ASP A CB 2347 C CG . ASP A 308 ? 0.3107 0.3179 0.3431 0.0146 0.0050 0.0036 310 ASP A CG 2348 O OD1 . ASP A 308 ? 0.3004 0.3075 0.3340 0.0144 0.0040 0.0038 310 ASP A OD1 2349 O OD2 . ASP A 308 ? 0.4283 0.4346 0.4599 0.0152 0.0058 0.0032 310 ASP A OD2 2350 N N . GLY A 309 ? 0.2848 0.2934 0.3148 0.0126 0.0039 0.0044 311 GLY A N 2351 C CA . GLY A 309 ? 0.2470 0.2566 0.2767 0.0122 0.0040 0.0048 311 GLY A CA 2352 C C . GLY A 309 ? 0.2533 0.2629 0.2816 0.0123 0.0049 0.0045 311 GLY A C 2353 O O . GLY A 309 ? 0.2170 0.2264 0.2449 0.0128 0.0057 0.0043 311 GLY A O 2354 N N . GLY A 310 ? 0.2050 0.2148 0.2324 0.0118 0.0048 0.0047 312 GLY A N 2355 C CA . GLY A 310 ? 0.2396 0.2497 0.2657 0.0119 0.0056 0.0046 312 GLY A CA 2356 C C . GLY A 310 ? 0.2400 0.2510 0.2663 0.0113 0.0054 0.0051 312 GLY A C 2357 O O . GLY A 310 ? 0.2142 0.2256 0.2414 0.0109 0.0047 0.0055 312 GLY A O 2358 N N . TYR A 311 ? 0.2373 0.2486 0.2626 0.0112 0.0060 0.0051 313 TYR A N 2359 C CA . TYR A 311 ? 0.1972 0.2092 0.2223 0.0107 0.0058 0.0055 313 TYR A CA 2360 C C . TYR A 311 ? 0.2162 0.2269 0.2394 0.0103 0.0053 0.0052 313 TYR A C 2361 O O . TYR A 311 ? 0.2506 0.2598 0.2724 0.0106 0.0052 0.0047 313 TYR A O 2362 C CB . TYR A 311 ? 0.2261 0.2395 0.2515 0.0107 0.0067 0.0059 313 TYR A CB 2363 C CG . TYR A 311 ? 0.2425 0.2575 0.2698 0.0107 0.0069 0.0065 313 TYR A CG 2364 C CD1 . TYR A 311 ? 0.2029 0.2183 0.2312 0.0102 0.0062 0.0068 313 TYR A CD1 2365 C CD2 . TYR A 311 ? 0.2526 0.2687 0.2807 0.0110 0.0077 0.0068 313 TYR A CD2 2366 C CE1 . TYR A 311 ? 0.2220 0.2387 0.2517 0.0101 0.0063 0.0074 313 TYR A CE1 2367 C CE2 . TYR A 311 ? 0.2598 0.2773 0.2896 0.0108 0.0077 0.0075 313 TYR A CE2 2368 C CZ . TYR A 311 ? 0.2560 0.2737 0.2865 0.0104 0.0070 0.0077 313 TYR A CZ 2369 O OH . TYR A 311 ? 0.2665 0.2855 0.2984 0.0101 0.0070 0.0083 313 TYR A OH 2370 N N . PRO A 312 ? 0.2727 0.2837 0.2958 0.0098 0.0049 0.0056 314 PRO A N 2371 C CA . PRO A 312 ? 0.2822 0.2921 0.3035 0.0095 0.0046 0.0053 314 PRO A CA 2372 C C . PRO A 312 ? 0.2565 0.2660 0.2762 0.0098 0.0054 0.0050 314 PRO A C 2373 O O . PRO A 312 ? 0.2626 0.2732 0.2828 0.0101 0.0063 0.0052 314 PRO A O 2374 C CB . PRO A 312 ? 0.2311 0.2418 0.2528 0.0089 0.0044 0.0059 314 PRO A CB 2375 C CG . PRO A 312 ? 0.2772 0.2888 0.3008 0.0089 0.0041 0.0063 314 PRO A CG 2376 C CD . PRO A 312 ? 0.2305 0.2426 0.2550 0.0094 0.0047 0.0061 314 PRO A CD 2377 N N . ILE A 313 ? 0.2173 0.2251 0.2350 0.0097 0.0050 0.0045 315 ILE A N 2378 C CA . ILE A 313 ? 0.2538 0.2608 0.2696 0.0101 0.0059 0.0041 315 ILE A CA 2379 C C . ILE A 313 ? 0.2242 0.2316 0.2389 0.0098 0.0061 0.0044 315 ILE A C 2380 O O . ILE A 313 ? 0.2087 0.2166 0.2238 0.0092 0.0055 0.0047 315 ILE A O 2381 C CB . ILE A 313 ? 0.2377 0.2425 0.2516 0.0103 0.0054 0.0034 315 ILE A CB 2382 C CG1 . ILE A 313 ? 0.2144 0.2180 0.2269 0.0095 0.0043 0.0034 315 ILE A CG1 2383 C CG2 . ILE A 313 ? 0.1911 0.1955 0.2061 0.0106 0.0051 0.0032 315 ILE A CG2 2384 C CD1 . ILE A 313 ? 0.2182 0.2195 0.2290 0.0095 0.0035 0.0028 315 ILE A CD1 2385 N N . GLN A 314 ? 0.2158 0.2230 0.2292 0.0102 0.0071 0.0042 316 GLN A N 2386 C CA . GLN A 314 ? 0.2074 0.2148 0.2196 0.0100 0.0074 0.0044 316 GLN A CA 2387 C C . GLN A 314 ? 0.2474 0.2527 0.2566 0.0101 0.0074 0.0038 316 GLN A C 2388 O O . GLN A 314 ? 0.3006 0.3049 0.3088 0.0108 0.0082 0.0033 316 GLN A O 2389 C CB . GLN A 314 ? 0.2258 0.2349 0.2389 0.0104 0.0086 0.0049 316 GLN A CB 2390 C CG . GLN A 314 ? 0.2094 0.2204 0.2248 0.0100 0.0083 0.0056 316 GLN A CG 2391 C CD . GLN A 314 ? 0.2242 0.2369 0.2410 0.0104 0.0094 0.0061 316 GLN A CD 2392 O OE1 . GLN A 314 ? 0.2730 0.2867 0.2898 0.0102 0.0097 0.0066 316 GLN A OE1 2393 N NE2 . GLN A 314 ? 0.2093 0.2223 0.2272 0.0109 0.0099 0.0061 316 GLN A NE2 2394 N N . VAL A 315 ? 0.2536 0.2581 0.2615 0.0095 0.0066 0.0038 317 VAL A N 2395 C CA . VAL A 315 ? 0.2526 0.2550 0.2574 0.0095 0.0065 0.0032 317 VAL A CA 2396 C C . VAL A 315 ? 0.2531 0.2561 0.2568 0.0093 0.0071 0.0036 317 VAL A C 2397 O O . VAL A 315 ? 0.2375 0.2417 0.2423 0.0087 0.0067 0.0041 317 VAL A O 2398 C CB . VAL A 315 ? 0.2353 0.2360 0.2391 0.0088 0.0050 0.0030 317 VAL A CB 2399 C CG1 . VAL A 315 ? 0.2157 0.2143 0.2162 0.0086 0.0048 0.0026 317 VAL A CG1 2400 C CG2 . VAL A 315 ? 0.2273 0.2272 0.2320 0.0090 0.0045 0.0027 317 VAL A CG2 2401 N N . VAL A 316 ? 0.2634 0.2655 0.2651 0.0099 0.0081 0.0032 318 VAL A N 2402 C CA . VAL A 316 ? 0.2323 0.2349 0.2329 0.0099 0.0088 0.0036 318 VAL A CA 2403 C C . VAL A 316 ? 0.2371 0.2376 0.2345 0.0095 0.0082 0.0032 318 VAL A C 2404 O O . VAL A 316 ? 0.2225 0.2208 0.2178 0.0097 0.0081 0.0025 318 VAL A O 2405 C CB . VAL A 316 ? 0.2607 0.2640 0.2612 0.0109 0.0106 0.0037 318 VAL A CB 2406 C CG1 . VAL A 316 ? 0.2335 0.2377 0.2333 0.0109 0.0113 0.0042 318 VAL A CG1 2407 C CG2 . VAL A 316 ? 0.2242 0.2294 0.2279 0.0113 0.0110 0.0041 318 VAL A CG2 2408 N N . GLN A 317 ? 0.2360 0.2371 0.2332 0.0089 0.0078 0.0037 319 GLN A N 2409 C CA . GLN A 317 ? 0.2514 0.2508 0.2457 0.0083 0.0072 0.0034 319 GLN A CA 2410 C C . GLN A 317 ? 0.2638 0.2613 0.2550 0.0091 0.0082 0.0028 319 GLN A C 2411 O O . GLN A 317 ? 0.2505 0.2489 0.2417 0.0099 0.0097 0.0030 319 GLN A O 2412 C CB . GLN A 317 ? 0.2786 0.2793 0.2733 0.0077 0.0070 0.0042 319 GLN A CB 2413 C CG . GLN A 317 ? 0.2574 0.2565 0.2494 0.0071 0.0062 0.0041 319 GLN A CG 2414 C CD . GLN A 317 ? 0.2898 0.2905 0.2823 0.0066 0.0064 0.0049 319 GLN A CD 2415 O OE1 . GLN A 317 ? 0.2594 0.2619 0.2531 0.0071 0.0075 0.0053 319 GLN A OE1 2416 N NE2 . GLN A 317 ? 0.3004 0.3005 0.2921 0.0057 0.0051 0.0051 319 GLN A NE2 2417 N N . SER A 318 ? 0.2122 0.2069 0.2006 0.0089 0.0075 0.0021 320 SER A N 2418 C CA . SER A 318 ? 0.2250 0.2176 0.2101 0.0096 0.0085 0.0014 320 SER A CA 2419 C C . SER A 318 ? 0.2351 0.2255 0.2167 0.0089 0.0077 0.0012 320 SER A C 2420 O O . SER A 318 ? 0.2374 0.2256 0.2173 0.0083 0.0063 0.0007 320 SER A O 2421 C CB . SER A 318 ? 0.2566 0.2474 0.2413 0.0101 0.0084 0.0007 320 SER A CB 2422 O OG . SER A 318 ? 0.2433 0.2319 0.2249 0.0109 0.0096 0.0000 320 SER A OG 2423 N N . GLU A 319 ? 0.2717 0.2629 0.2524 0.0090 0.0085 0.0017 321 GLU A N 2424 C CA . GLU A 319 ? 0.3150 0.3044 0.2923 0.0084 0.0079 0.0016 321 GLU A CA 2425 C C . GLU A 319 ? 0.3241 0.3129 0.2989 0.0093 0.0096 0.0015 321 GLU A C 2426 O O . GLU A 319 ? 0.3102 0.3008 0.2866 0.0102 0.0112 0.0018 321 GLU A O 2427 C CB . GLU A 319 ? 0.3551 0.3463 0.3342 0.0073 0.0067 0.0024 321 GLU A CB 2428 C CG . GLU A 319 ? 0.3391 0.3306 0.3204 0.0064 0.0050 0.0026 321 GLU A CG 2429 C CD . GLU A 319 ? 0.4257 0.4190 0.4087 0.0054 0.0041 0.0035 321 GLU A CD 2430 O OE1 . GLU A 319 ? 0.4897 0.4837 0.4719 0.0054 0.0046 0.0039 321 GLU A OE1 2431 O OE2 . GLU A 319 ? 0.4466 0.4405 0.4319 0.0048 0.0028 0.0039 321 GLU A OE2 2432 N N . TRP A 320 ? 0.3111 0.2976 0.2821 0.0089 0.0093 0.0011 322 TRP A N 2433 C CA . TRP A 320 ? 0.2877 0.2734 0.2558 0.0096 0.0108 0.0011 322 TRP A CA 2434 C C . TRP A 320 ? 0.2967 0.2850 0.2663 0.0093 0.0112 0.0022 322 TRP A C 2435 O O . TRP A 320 ? 0.2834 0.2737 0.2557 0.0084 0.0100 0.0028 322 TRP A O 2436 C CB . TRP A 320 ? 0.3033 0.2853 0.2664 0.0093 0.0102 0.0004 322 TRP A CB 2437 C CG . TRP A 320 ? 0.2894 0.2683 0.2501 0.0097 0.0101 -0.0007 322 TRP A CG 2438 C CD1 . TRP A 320 ? 0.2829 0.2590 0.2415 0.0088 0.0083 -0.0014 322 TRP A CD1 2439 C CD2 . TRP A 320 ? 0.2771 0.2553 0.2374 0.0111 0.0119 -0.0013 322 TRP A CD2 2440 N NE1 . TRP A 320 ? 0.2865 0.2601 0.2432 0.0096 0.0089 -0.0023 322 TRP A NE1 2441 C CE2 . TRP A 320 ? 0.3079 0.2826 0.2656 0.0110 0.0111 -0.0023 322 TRP A CE2 2442 C CE3 . TRP A 320 ? 0.3220 0.3020 0.2839 0.0124 0.0141 -0.0009 322 TRP A CE3 2443 C CZ2 . TRP A 320 ? 0.2734 0.2466 0.2301 0.0122 0.0124 -0.0031 322 TRP A CZ2 2444 C CZ3 . TRP A 320 ? 0.3142 0.2927 0.2752 0.0136 0.0155 -0.0016 322 TRP A CZ3 2445 C CH2 . TRP A 320 ? 0.3193 0.2944 0.2777 0.0135 0.0147 -0.0027 322 TRP A CH2 2446 N N . SER A 321 ? 0.3086 0.2968 0.2763 0.0101 0.0128 0.0023 323 SER A N 2447 C CA . SER A 321 ? 0.3199 0.3099 0.2880 0.0097 0.0130 0.0032 323 SER A CA 2448 C C . SER A 321 ? 0.3022 0.2907 0.2680 0.0084 0.0112 0.0032 323 SER A C 2449 O O . SER A 321 ? 0.3035 0.2892 0.2669 0.0080 0.0100 0.0024 323 SER A O 2450 C CB . SER A 321 ? 0.3702 0.3600 0.3362 0.0109 0.0151 0.0034 323 SER A CB 2451 O OG . SER A 321 ? 0.3616 0.3478 0.3226 0.0110 0.0152 0.0026 323 SER A OG 2452 N N . ALA A 322 ? 0.2968 0.2870 0.2634 0.0078 0.0109 0.0041 324 ALA A N 2453 C CA . ALA A 322 ? 0.4104 0.3996 0.3756 0.0065 0.0091 0.0042 324 ALA A CA 2454 C C . ALA A 322 ? 0.4154 0.4010 0.3754 0.0063 0.0088 0.0035 324 ALA A C 2455 O O . ALA A 322 ? 0.4492 0.4332 0.4077 0.0051 0.0069 0.0034 324 ALA A O 2456 C CB . ALA A 322 ? 0.3486 0.3404 0.3155 0.0060 0.0092 0.0053 324 ALA A CB 2457 N N . SER A 323 ? 0.4149 0.3990 0.3720 0.0075 0.0105 0.0030 325 SER A N 2458 C CA . SER A 323 ? 0.5185 0.4989 0.4702 0.0074 0.0105 0.0023 325 SER A CA 2459 C C . SER A 323 ? 0.5864 0.5636 0.5359 0.0070 0.0091 0.0012 325 SER A C 2460 O O . SER A 323 ? 0.6958 0.6698 0.6409 0.0064 0.0082 0.0007 325 SER A O 2461 C CB . SER A 323 ? 0.5527 0.5323 0.5021 0.0090 0.0130 0.0020 325 SER A CB 2462 O OG . SER A 323 ? 0.6173 0.5978 0.5689 0.0102 0.0143 0.0018 325 SER A OG 2463 N N . ARG A 324 ? 0.4566 0.4344 0.4089 0.0072 0.0088 0.0009 326 ARG A N 2464 C CA . ARG A 324 ? 0.3725 0.3474 0.3231 0.0068 0.0076 0.0000 326 ARG A CA 2465 C C . ARG A 324 ? 0.4043 0.3802 0.3578 0.0055 0.0053 0.0004 326 ARG A C 2466 O O . ARG A 324 ? 0.4352 0.4143 0.3925 0.0050 0.0049 0.0014 326 ARG A O 2467 C CB . ARG A 324 ? 0.3614 0.3359 0.3126 0.0082 0.0090 -0.0007 326 ARG A CB 2468 C CG . ARG A 324 ? 0.4061 0.3786 0.3536 0.0095 0.0112 -0.0012 326 ARG A CG 2469 C CD . ARG A 324 ? 0.3279 0.3002 0.2765 0.0108 0.0126 -0.0018 326 ARG A CD 2470 N NE . ARG A 324 ? 0.3847 0.3549 0.3297 0.0122 0.0147 -0.0023 326 ARG A NE 2471 C CZ . ARG A 324 ? 0.4845 0.4548 0.4303 0.0136 0.0166 -0.0026 326 ARG A CZ 2472 N NH1 . ARG A 324 ? 0.4441 0.4165 0.3942 0.0138 0.0164 -0.0024 326 ARG A NH1 2473 N NH2 . ARG A 324 ? 0.4580 0.4263 0.4004 0.0149 0.0186 -0.0030 326 ARG A NH2 2474 N N . ARG A 325 ? 0.3435 0.3167 0.2954 0.0050 0.0038 -0.0003 327 ARG A N 2475 C CA . ARG A 325 ? 0.4441 0.4180 0.3986 0.0037 0.0016 0.0002 327 ARG A CA 2476 C C . ARG A 325 ? 0.3998 0.3752 0.3581 0.0042 0.0017 0.0001 327 ARG A C 2477 O O . ARG A 325 ? 0.3582 0.3315 0.3153 0.0047 0.0019 -0.0008 327 ARG A O 2478 C CB . ARG A 325 ? 0.3733 0.3436 0.3241 0.0026 -0.0004 -0.0002 327 ARG A CB 2479 C CG . ARG A 325 ? 0.4872 0.4561 0.4344 0.0019 -0.0007 0.0001 327 ARG A CG 2480 C CD . ARG A 325 ? 0.4558 0.4215 0.3998 0.0005 -0.0030 -0.0001 327 ARG A CD 2481 N NE . ARG A 325 ? 0.5020 0.4638 0.4419 0.0010 -0.0029 -0.0013 327 ARG A NE 2482 C CZ . ARG A 325 ? 0.5505 0.5101 0.4899 0.0003 -0.0047 -0.0017 327 ARG A CZ 2483 N NH1 . ARG A 325 ? 0.5639 0.5250 0.5068 -0.0009 -0.0066 -0.0008 327 ARG A NH1 2484 N NH2 . ARG A 325 ? 0.5188 0.4747 0.4543 0.0007 -0.0045 -0.0029 327 ARG A NH2 2485 N N . SER A 326 ? 0.3424 0.3212 0.3053 0.0040 0.0016 0.0009 328 SER A N 2486 C CA . SER A 326 ? 0.3414 0.3219 0.3081 0.0045 0.0018 0.0010 328 SER A CA 2487 C C . SER A 326 ? 0.3204 0.3011 0.2893 0.0033 -0.0003 0.0014 328 SER A C 2488 O O . SER A 326 ? 0.3267 0.3063 0.2944 0.0022 -0.0019 0.0018 328 SER A O 2489 C CB . SER A 326 ? 0.3250 0.3092 0.2953 0.0051 0.0032 0.0016 328 SER A CB 2490 O OG . SER A 326 ? 0.3498 0.3340 0.3185 0.0062 0.0052 0.0014 328 SER A OG 2491 N N . ASP A 327 ? 0.3632 0.3453 0.3354 0.0037 -0.0002 0.0014 329 ASP A N 2492 C CA . ASP A 327 ? 0.3351 0.3181 0.3102 0.0028 -0.0019 0.0020 329 ASP A CA 2493 C C . ASP A 327 ? 0.3855 0.3716 0.3650 0.0034 -0.0011 0.0025 329 ASP A C 2494 O O . ASP A 327 ? 0.3674 0.3547 0.3475 0.0044 0.0006 0.0022 329 ASP A O 2495 C CB . ASP A 327 ? 0.3149 0.2953 0.2888 0.0026 -0.0031 0.0015 329 ASP A CB 2496 C CG . ASP A 327 ? 0.3912 0.3712 0.3653 0.0037 -0.0019 0.0006 329 ASP A CG 2497 O OD1 . ASP A 327 ? 0.3552 0.3375 0.3329 0.0042 -0.0014 0.0009 329 ASP A OD1 2498 O OD2 . ASP A 327 ? 0.4351 0.4124 0.4057 0.0042 -0.0015 -0.0003 329 ASP A OD2 2499 N N . ASN A 328 ? 0.2749 0.2624 0.2574 0.0027 -0.0022 0.0032 330 ASN A N 2500 C CA . ASN A 328 ? 0.2611 0.2512 0.2474 0.0032 -0.0016 0.0036 330 ASN A CA 2501 C C . ASN A 328 ? 0.2739 0.2637 0.2621 0.0031 -0.0025 0.0035 330 ASN A C 2502 O O . ASN A 328 ? 0.2765 0.2681 0.2679 0.0030 -0.0027 0.0041 330 ASN A O 2503 C CB . ASN A 328 ? 0.3082 0.3006 0.2968 0.0026 -0.0017 0.0046 330 ASN A CB 2504 C CG . ASN A 328 ? 0.2868 0.2787 0.2758 0.0015 -0.0035 0.0053 330 ASN A CG 2505 O OD1 . ASN A 328 ? 0.3162 0.3061 0.3039 0.0010 -0.0047 0.0051 330 ASN A OD1 2506 N ND2 . ASN A 328 ? 0.3013 0.2951 0.2923 0.0010 -0.0036 0.0062 330 ASN A ND2 2507 N N . ALA A 329 ? 0.3072 0.2944 0.2931 0.0032 -0.0029 0.0028 331 ALA A N 2508 C CA . ALA A 329 ? 0.3004 0.2870 0.2877 0.0031 -0.0039 0.0027 331 ALA A CA 2509 C C . ALA A 329 ? 0.2955 0.2840 0.2858 0.0040 -0.0028 0.0026 331 ALA A C 2510 O O . ALA A 329 ? 0.2675 0.2568 0.2604 0.0039 -0.0035 0.0030 331 ALA A O 2511 C CB . ALA A 329 ? 0.2872 0.2705 0.2711 0.0032 -0.0044 0.0018 331 ALA A CB 2512 N N . THR A 330 ? 0.2430 0.2323 0.2329 0.0050 -0.0010 0.0022 332 THR A N 2513 C CA . THR A 330 ? 0.2483 0.2394 0.2410 0.0058 -0.0001 0.0021 332 THR A CA 2514 C C . THR A 330 ? 0.2727 0.2667 0.2686 0.0055 0.0001 0.0030 332 THR A C 2515 O O . THR A 330 ? 0.2565 0.2518 0.2552 0.0058 0.0001 0.0033 332 THR A O 2516 C CB . THR A 330 ? 0.2492 0.2404 0.2409 0.0069 0.0018 0.0015 332 THR A CB 2517 O OG1 . THR A 330 ? 0.2993 0.2917 0.2905 0.0070 0.0028 0.0018 332 THR A OG1 2518 C CG2 . THR A 330 ? 0.2147 0.2028 0.2029 0.0072 0.0018 0.0006 332 THR A CG2 2519 N N . GLU A 331 ? 0.2861 0.2808 0.2817 0.0051 0.0001 0.0035 333 GLU A N 2520 C CA . GLU A 331 ? 0.2556 0.2527 0.2540 0.0047 0.0000 0.0044 333 GLU A CA 2521 C C . GLU A 331 ? 0.2489 0.2459 0.2491 0.0041 -0.0014 0.0049 333 GLU A C 2522 O O . GLU A 331 ? 0.2247 0.2233 0.2277 0.0042 -0.0013 0.0053 333 GLU A O 2523 C CB . GLU A 331 ? 0.2620 0.2596 0.2594 0.0043 0.0001 0.0048 333 GLU A CB 2524 C CG . GLU A 331 ? 0.2383 0.2382 0.2384 0.0040 0.0001 0.0057 333 GLU A CG 2525 C CD . GLU A 331 ? 0.3273 0.3277 0.3265 0.0036 0.0004 0.0061 333 GLU A CD 2526 O OE1 . GLU A 331 ? 0.3014 0.3036 0.3027 0.0033 0.0004 0.0068 333 GLU A OE1 2527 O OE2 . GLU A 331 ? 0.3396 0.3388 0.3361 0.0036 0.0005 0.0058 333 GLU A OE2 2528 N N . GLU A 332 ? 0.2517 0.2469 0.2504 0.0034 -0.0027 0.0050 334 GLU A N 2529 C CA . GLU A 332 ? 0.3004 0.2956 0.3010 0.0028 -0.0041 0.0057 334 GLU A CA 2530 C C . GLU A 332 ? 0.2889 0.2838 0.2908 0.0032 -0.0043 0.0054 334 GLU A C 2531 O O . GLU A 332 ? 0.2716 0.2676 0.2763 0.0030 -0.0047 0.0061 334 GLU A O 2532 C CB . GLU A 332 ? 0.2228 0.2161 0.2214 0.0018 -0.0056 0.0060 334 GLU A CB 2533 C CG . GLU A 332 ? 0.2752 0.2690 0.2728 0.0013 -0.0055 0.0064 334 GLU A CG 2534 C CD . GLU A 332 ? 0.3207 0.3133 0.3175 0.0002 -0.0071 0.0071 334 GLU A CD 2535 O OE1 . GLU A 332 ? 0.3162 0.3095 0.3130 -0.0003 -0.0072 0.0077 334 GLU A OE1 2536 O OE2 . GLU A 332 ? 0.3718 0.3626 0.3680 -0.0002 -0.0084 0.0071 334 GLU A OE2 2537 N N . ALA A 333 ? 0.2038 0.1973 0.2040 0.0037 -0.0039 0.0045 335 ALA A N 2538 C CA . ALA A 333 ? 0.2374 0.2308 0.2389 0.0042 -0.0039 0.0042 335 ALA A CA 2539 C C . ALA A 333 ? 0.2418 0.2377 0.2463 0.0048 -0.0028 0.0045 335 ALA A C 2540 O O . ALA A 333 ? 0.2313 0.2279 0.2381 0.0049 -0.0032 0.0049 335 ALA A O 2541 C CB . ALA A 333 ? 0.2139 0.2053 0.2129 0.0048 -0.0034 0.0032 335 ALA A CB 2542 N N . CYS A 334 ? 0.2485 0.2456 0.2527 0.0052 -0.0015 0.0044 336 CYS A N 2543 C CA . CYS A 334 ? 0.3307 0.3300 0.3374 0.0058 -0.0005 0.0046 336 CYS A CA 2544 C C . CYS A 334 ? 0.3089 0.3096 0.3179 0.0053 -0.0010 0.0055 336 CYS A C 2545 O O . CYS A 334 ? 0.2960 0.2978 0.3072 0.0055 -0.0009 0.0058 336 CYS A O 2546 C CB . CYS A 334 ? 0.2545 0.2547 0.2603 0.0062 0.0008 0.0044 336 CYS A CB 2547 S SG . CYS A 334 ? 0.3562 0.3588 0.3647 0.0068 0.0020 0.0046 336 CYS A SG 2548 N N . LEU A 335 ? 0.2805 0.2810 0.2888 0.0046 -0.0016 0.0059 337 LEU A N 2549 C CA . LEU A 335 ? 0.3144 0.3161 0.3248 0.0041 -0.0020 0.0068 337 LEU A CA 2550 C C . LEU A 335 ? 0.3625 0.3641 0.3748 0.0040 -0.0029 0.0073 337 LEU A C 2551 O O . LEU A 335 ? 0.3462 0.3490 0.3607 0.0040 -0.0027 0.0079 337 LEU A O 2552 C CB . LEU A 335 ? 0.3320 0.3333 0.3411 0.0034 -0.0025 0.0073 337 LEU A CB 2553 C CG . LEU A 335 ? 0.3722 0.3750 0.3826 0.0031 -0.0022 0.0080 337 LEU A CG 2554 C CD1 . LEU A 335 ? 0.4085 0.4128 0.4195 0.0037 -0.0009 0.0077 337 LEU A CD1 2555 C CD2 . LEU A 335 ? 0.3609 0.3629 0.3694 0.0025 -0.0027 0.0082 337 LEU A CD2 2556 N N . GLN A 336 ? 0.2331 0.2329 0.2444 0.0038 -0.0039 0.0072 338 GLN A N 2557 C CA . GLN A 336 ? 0.2782 0.2778 0.2912 0.0036 -0.0049 0.0078 338 GLN A CA 2558 C C . GLN A 336 ? 0.2656 0.2655 0.2798 0.0042 -0.0045 0.0074 338 GLN A C 2559 O O . GLN A 336 ? 0.2984 0.2981 0.3142 0.0042 -0.0053 0.0079 338 GLN A O 2560 C CB . GLN A 336 ? 0.2440 0.2417 0.2556 0.0028 -0.0063 0.0079 338 GLN A CB 2561 C CG . GLN A 336 ? 0.2369 0.2327 0.2461 0.0030 -0.0065 0.0069 338 GLN A CG 2562 C CD . GLN A 336 ? 0.2772 0.2709 0.2847 0.0022 -0.0081 0.0072 338 GLN A CD 2563 O OE1 . GLN A 336 ? 0.3343 0.3280 0.3421 0.0014 -0.0090 0.0080 338 GLN A OE1 2564 N NE2 . GLN A 336 ? 0.2306 0.2223 0.2364 0.0023 -0.0086 0.0064 338 GLN A NE2 2565 N N . THR A 337 ? 0.2248 0.2251 0.2385 0.0049 -0.0033 0.0066 339 THR A N 2566 C CA . THR A 337 ? 0.2391 0.2397 0.2539 0.0055 -0.0030 0.0063 339 THR A CA 2567 C C . THR A 337 ? 0.2661 0.2686 0.2827 0.0060 -0.0019 0.0064 339 THR A C 2568 O O . THR A 337 ? 0.2404 0.2439 0.2565 0.0062 -0.0010 0.0062 339 THR A O 2569 C CB . THR A 337 ? 0.2276 0.2268 0.2402 0.0060 -0.0026 0.0053 339 THR A CB 2570 O OG1 . THR A 337 ? 0.2436 0.2407 0.2541 0.0055 -0.0037 0.0051 339 THR A OG1 2571 C CG2 . THR A 337 ? 0.1922 0.1917 0.2060 0.0066 -0.0022 0.0049 339 THR A CG2 2572 N N . GLU A 338 ? 0.3195 0.3227 0.3382 0.0062 -0.0021 0.0068 340 GLU A N 2573 C CA . GLU A 338 ? 0.3610 0.3658 0.3814 0.0067 -0.0012 0.0070 340 GLU A CA 2574 C C . GLU A 338 ? 0.3122 0.3174 0.3320 0.0072 -0.0002 0.0063 340 GLU A C 2575 O O . GLU A 338 ? 0.3090 0.3133 0.3280 0.0075 -0.0002 0.0057 340 GLU A O 2576 C CB . GLU A 338 ? 0.3770 0.3821 0.3995 0.0068 -0.0016 0.0074 340 GLU A CB 2577 C CG . GLU A 338 ? 0.5055 0.5103 0.5290 0.0064 -0.0025 0.0083 340 GLU A CG 2578 C CD . GLU A 338 ? 0.4749 0.4808 0.4992 0.0062 -0.0021 0.0089 340 GLU A CD 2579 O OE1 . GLU A 338 ? 0.5047 0.5115 0.5306 0.0065 -0.0017 0.0094 340 GLU A OE1 2580 O OE2 . GLU A 338 ? 0.5775 0.5831 0.6007 0.0057 -0.0022 0.0090 340 GLU A OE2 2581 N N . GLY A 339 ? 0.2962 0.3029 0.3166 0.0074 0.0007 0.0064 341 GLY A N 2582 C CA . GLY A 339 ? 0.2924 0.2998 0.3128 0.0079 0.0017 0.0059 341 GLY A CA 2583 C C . GLY A 339 ? 0.2907 0.2975 0.3091 0.0080 0.0022 0.0054 341 GLY A C 2584 O O . GLY A 339 ? 0.3323 0.3394 0.3505 0.0085 0.0030 0.0051 341 GLY A O 2585 N N . CYS A 340 ? 0.2943 0.3003 0.3112 0.0076 0.0018 0.0055 342 CYS A N 2586 C CA . CYS A 340 ? 0.2897 0.2952 0.3046 0.0077 0.0024 0.0050 342 CYS A CA 2587 C C . CYS A 340 ? 0.3303 0.3368 0.3450 0.0074 0.0028 0.0054 342 CYS A C 2588 O O . CYS A 340 ? 0.3343 0.3409 0.3492 0.0068 0.0022 0.0059 342 CYS A O 2589 C CB . CYS A 340 ? 0.2891 0.2925 0.3019 0.0074 0.0015 0.0047 342 CYS A CB 2590 S SG . CYS A 340 ? 0.4552 0.4575 0.4650 0.0076 0.0022 0.0041 342 CYS A SG 2591 N N . ILE A 341 ? 0.2015 0.2087 0.2157 0.0078 0.0038 0.0053 343 ILE A N 2592 C CA . ILE A 341 ? 0.2138 0.2221 0.2280 0.0076 0.0043 0.0057 343 ILE A CA 2593 C C . ILE A 341 ? 0.2542 0.2617 0.2661 0.0077 0.0047 0.0054 343 ILE A C 2594 O O . ILE A 341 ? 0.2487 0.2556 0.2595 0.0082 0.0054 0.0049 343 ILE A O 2595 C CB . ILE A 341 ? 0.2072 0.2172 0.2229 0.0079 0.0052 0.0060 343 ILE A CB 2596 C CG1 . ILE A 341 ? 0.2444 0.2551 0.2621 0.0078 0.0048 0.0062 343 ILE A CG1 2597 C CG2 . ILE A 341 ? 0.2089 0.2199 0.2244 0.0077 0.0056 0.0064 343 ILE A CG2 2598 C CD1 . ILE A 341 ? 0.1877 0.1999 0.2069 0.0081 0.0055 0.0065 343 ILE A CD1 2599 N N . PHE A 342 ? 0.2130 0.2203 0.2239 0.0071 0.0043 0.0056 344 PHE A N 2600 C CA . PHE A 342 ? 0.2143 0.2207 0.2229 0.0071 0.0046 0.0054 344 PHE A CA 2601 C C . PHE A 342 ? 0.2333 0.2410 0.2419 0.0072 0.0055 0.0058 344 PHE A C 2602 O O . PHE A 342 ? 0.1973 0.2062 0.2070 0.0067 0.0053 0.0063 344 PHE A O 2603 C CB . PHE A 342 ? 0.2496 0.2547 0.2570 0.0064 0.0035 0.0055 344 PHE A CB 2604 C CG . PHE A 342 ? 0.2597 0.2634 0.2643 0.0064 0.0036 0.0051 344 PHE A CG 2605 C CD1 . PHE A 342 ? 0.2134 0.2174 0.2170 0.0060 0.0036 0.0054 344 PHE A CD1 2606 C CD2 . PHE A 342 ? 0.2394 0.2413 0.2421 0.0068 0.0036 0.0044 344 PHE A CD2 2607 C CE1 . PHE A 342 ? 0.2789 0.2814 0.2796 0.0059 0.0037 0.0051 344 PHE A CE1 2608 C CE2 . PHE A 342 ? 0.2398 0.2400 0.2395 0.0068 0.0037 0.0040 344 PHE A CE2 2609 C CZ . PHE A 342 ? 0.2606 0.2612 0.2593 0.0063 0.0038 0.0044 344 PHE A CZ 2610 N N . ILE A 343 ? 0.2743 0.2817 0.2815 0.0078 0.0065 0.0055 345 ILE A N 2611 C CA . ILE A 343 ? 0.1961 0.2046 0.2031 0.0079 0.0074 0.0059 345 ILE A CA 2612 C C . ILE A 343 ? 0.2644 0.2718 0.2689 0.0077 0.0073 0.0058 345 ILE A C 2613 O O . ILE A 343 ? 0.2773 0.2829 0.2795 0.0080 0.0075 0.0052 345 ILE A O 2614 C CB . ILE A 343 ? 0.2388 0.2480 0.2462 0.0088 0.0087 0.0059 345 ILE A CB 2615 C CG1 . ILE A 343 ? 0.2474 0.2581 0.2576 0.0089 0.0088 0.0062 345 ILE A CG1 2616 C CG2 . ILE A 343 ? 0.2341 0.2444 0.2412 0.0090 0.0097 0.0065 345 ILE A CG2 2617 C CD1 . ILE A 343 ? 0.2414 0.2512 0.2520 0.0091 0.0083 0.0057 345 ILE A CD1 2618 N N . LYS A 344 ? 0.2628 0.2710 0.2675 0.0071 0.0070 0.0064 346 LYS A N 2619 C CA . LYS A 344 ? 0.2732 0.2805 0.2758 0.0067 0.0068 0.0064 346 LYS A CA 2620 C C . LYS A 344 ? 0.2593 0.2680 0.2619 0.0068 0.0076 0.0070 346 LYS A C 2621 O O . LYS A 344 ? 0.2765 0.2869 0.2811 0.0065 0.0076 0.0076 346 LYS A O 2622 C CB . LYS A 344 ? 0.2492 0.2561 0.2521 0.0058 0.0053 0.0066 346 LYS A CB 2623 C CG . LYS A 344 ? 0.3555 0.3613 0.3562 0.0053 0.0048 0.0067 346 LYS A CG 2624 C CD . LYS A 344 ? 0.3211 0.3263 0.3223 0.0044 0.0033 0.0069 346 LYS A CD 2625 C CE . LYS A 344 ? 0.2412 0.2450 0.2400 0.0038 0.0027 0.0070 346 LYS A CE 2626 N NZ . LYS A 344 ? 0.2827 0.2860 0.2822 0.0029 0.0012 0.0074 346 LYS A NZ 2627 N N . LYS A 345 ? 0.2248 0.2326 0.2250 0.0071 0.0082 0.0068 347 LYS A N 2628 C CA . LYS A 345 ? 0.2493 0.2582 0.2492 0.0071 0.0090 0.0074 347 LYS A CA 2629 C C . LYS A 345 ? 0.2609 0.2701 0.2608 0.0062 0.0080 0.0079 347 LYS A C 2630 O O . LYS A 345 ? 0.2030 0.2110 0.2023 0.0055 0.0068 0.0077 347 LYS A O 2631 C CB . LYS A 345 ? 0.2441 0.2517 0.2411 0.0077 0.0099 0.0071 347 LYS A CB 2632 C CG . LYS A 345 ? 0.1851 0.1932 0.1825 0.0088 0.0115 0.0071 347 LYS A CG 2633 C CD . LYS A 345 ? 0.2875 0.2935 0.2816 0.0095 0.0124 0.0065 347 LYS A CD 2634 C CE . LYS A 345 ? 0.2545 0.2600 0.2462 0.0093 0.0124 0.0067 347 LYS A CE 2635 N NZ . LYS A 345 ? 0.1897 0.1974 0.1829 0.0094 0.0134 0.0077 347 LYS A NZ 2636 N N . THR A 346 ? 0.3074 0.3182 0.3082 0.0061 0.0085 0.0087 348 THR A N 2637 C CA . THR A 346 ? 0.3342 0.3455 0.3352 0.0052 0.0077 0.0092 348 THR A CA 2638 C C . THR A 346 ? 0.3743 0.3852 0.3730 0.0052 0.0081 0.0094 348 THR A C 2639 O O . THR A 346 ? 0.4137 0.4249 0.4122 0.0045 0.0075 0.0099 348 THR A O 2640 C CB . THR A 346 ? 0.3212 0.3345 0.3250 0.0049 0.0076 0.0100 348 THR A CB 2641 O OG1 . THR A 346 ? 0.3008 0.3155 0.3050 0.0054 0.0087 0.0105 348 THR A OG1 2642 C CG2 . THR A 346 ? 0.2841 0.2977 0.2899 0.0050 0.0073 0.0098 348 THR A CG2 2643 N N . THR A 347 ? 0.3767 0.3871 0.3738 0.0061 0.0093 0.0091 349 THR A N 2644 C CA . THR A 347 ? 0.4551 0.4650 0.4498 0.0062 0.0100 0.0093 349 THR A CA 2645 C C . THR A 347 ? 0.3956 0.4030 0.3870 0.0068 0.0104 0.0084 349 THR A C 2646 O O . THR A 347 ? 0.3895 0.3961 0.3811 0.0072 0.0104 0.0078 349 THR A O 2647 C CB . THR A 347 ? 0.3964 0.4082 0.3923 0.0068 0.0113 0.0101 349 THR A CB 2648 O OG1 . THR A 347 ? 0.3583 0.3704 0.3548 0.0078 0.0124 0.0100 349 THR A OG1 2649 C CG2 . THR A 347 ? 0.4154 0.4294 0.4144 0.0062 0.0107 0.0110 349 THR A CG2 2650 N N . PRO A 348 ? 0.4365 0.4427 0.4249 0.0069 0.0108 0.0084 350 PRO A N 2651 C CA . PRO A 348 ? 0.4089 0.4124 0.3939 0.0074 0.0111 0.0074 350 PRO A CA 2652 C C . PRO A 348 ? 0.3507 0.3541 0.3357 0.0086 0.0127 0.0071 350 PRO A C 2653 O O . PRO A 348 ? 0.2998 0.3052 0.2868 0.0092 0.0138 0.0078 350 PRO A O 2654 C CB . PRO A 348 ? 0.4007 0.4033 0.3827 0.0072 0.0113 0.0076 350 PRO A CB 2655 C CG . PRO A 348 ? 0.4779 0.4823 0.4617 0.0063 0.0105 0.0085 350 PRO A CG 2656 C CD . PRO A 348 ? 0.4507 0.4577 0.4385 0.0065 0.0109 0.0091 350 PRO A CD 2657 N N . TYR A 349 ? 0.3580 0.3589 0.3405 0.0090 0.0127 0.0062 351 TYR A N 2658 C CA . TYR A 349 ? 0.3295 0.3299 0.3115 0.0103 0.0144 0.0059 351 TYR A CA 2659 C C . TYR A 349 ? 0.3669 0.3668 0.3463 0.0110 0.0159 0.0061 351 TYR A C 2660 O O . TYR A 349 ? 0.3756 0.3732 0.3514 0.0108 0.0157 0.0056 351 TYR A O 2661 C CB . TYR A 349 ? 0.3049 0.3027 0.2851 0.0105 0.0140 0.0047 351 TYR A CB 2662 C CG . TYR A 349 ? 0.3840 0.3819 0.3650 0.0117 0.0155 0.0045 351 TYR A CG 2663 C CD1 . TYR A 349 ? 0.3671 0.3662 0.3512 0.0118 0.0152 0.0045 351 TYR A CD1 2664 C CD2 . TYR A 349 ? 0.3092 0.3061 0.2879 0.0129 0.0173 0.0044 351 TYR A CD2 2665 C CE1 . TYR A 349 ? 0.3433 0.3426 0.3283 0.0129 0.0165 0.0044 351 TYR A CE1 2666 C CE2 . TYR A 349 ? 0.3530 0.3501 0.3327 0.0140 0.0187 0.0044 351 TYR A CE2 2667 C CZ . TYR A 349 ? 0.3488 0.3472 0.3317 0.0140 0.0183 0.0044 351 TYR A CZ 2668 O OH . TYR A 349 ? 0.3262 0.3248 0.3101 0.0151 0.0197 0.0044 351 TYR A OH 2669 N N . VAL A 350 ? 0.3596 0.3616 0.3410 0.0118 0.0174 0.0069 352 VAL A N 2670 C CA . VAL A 350 ? 0.3475 0.3493 0.3269 0.0127 0.0191 0.0073 352 VAL A CA 2671 C C . VAL A 350 ? 0.3930 0.3954 0.3736 0.0141 0.0210 0.0075 352 VAL A C 2672 O O . VAL A 350 ? 0.4227 0.4277 0.4069 0.0142 0.0214 0.0084 352 VAL A O 2673 C CB . VAL A 350 ? 0.4168 0.4210 0.3977 0.0123 0.0192 0.0085 352 VAL A CB 2674 C CG1 . VAL A 350 ? 0.4408 0.4445 0.4192 0.0131 0.0208 0.0089 352 VAL A CG1 2675 C CG2 . VAL A 350 ? 0.3961 0.4003 0.3769 0.0109 0.0173 0.0085 352 VAL A CG2 2676 N N . GLY A 351 ? 0.3464 0.3462 0.3238 0.0150 0.0221 0.0068 353 GLY A N 2677 C CA . GLY A 351 ? 0.3763 0.3764 0.3548 0.0163 0.0238 0.0069 353 GLY A CA 2678 C C . GLY A 351 ? 0.3566 0.3579 0.3354 0.0175 0.0260 0.0079 353 GLY A C 2679 O O . GLY A 351 ? 0.3648 0.3663 0.3421 0.0174 0.0264 0.0084 353 GLY A O 2680 N N . GLU A 352 ? 0.3845 0.3867 0.3653 0.0185 0.0274 0.0083 354 GLU A N 2681 C CA . GLU A 352 ? 0.3695 0.3730 0.3510 0.0198 0.0296 0.0095 354 GLU A CA 2682 C C . GLU A 352 ? 0.3978 0.3984 0.3755 0.0211 0.0315 0.0089 354 GLU A C 2683 O O . GLU A 352 ? 0.4368 0.4373 0.4130 0.0220 0.0331 0.0095 354 GLU A O 2684 C CB . GLU A 352 ? 0.3126 0.3191 0.2989 0.0201 0.0302 0.0106 354 GLU A CB 2685 C CG . GLU A 352 ? 0.3358 0.3438 0.3232 0.0214 0.0324 0.0120 354 GLU A CG 2686 C CD . GLU A 352 ? 0.4062 0.4165 0.3979 0.0219 0.0331 0.0130 354 GLU A CD 2687 O OE1 . GLU A 352 ? 0.5036 0.5156 0.4969 0.0229 0.0349 0.0144 354 GLU A OE1 2688 O OE2 . GLU A 352 ? 0.4209 0.4316 0.4145 0.0214 0.0319 0.0125 354 GLU A OE2 2689 N N . ALA A 353 ? 0.3859 0.3841 0.3621 0.0214 0.0313 0.0076 355 ALA A N 2690 C CA . ALA A 353 ? 0.4049 0.3999 0.3771 0.0227 0.0331 0.0069 355 ALA A CA 2691 C C . ALA A 353 ? 0.4063 0.3980 0.3733 0.0222 0.0323 0.0058 355 ALA A C 2692 O O . ALA A 353 ? 0.4269 0.4174 0.3910 0.0230 0.0339 0.0060 355 ALA A O 2693 C CB . ALA A 353 ? 0.3265 0.3200 0.2990 0.0232 0.0331 0.0060 355 ALA A CB 2694 N N . ASP A 354 ? 0.5107 0.5011 0.4767 0.0209 0.0301 0.0048 356 ASP A N 2695 C CA . ASP A 354 ? 0.5629 0.5507 0.5246 0.0200 0.0288 0.0040 356 ASP A CA 2696 C C . ASP A 354 ? 0.5420 0.5319 0.5060 0.0184 0.0266 0.0044 356 ASP A C 2697 O O . ASP A 354 ? 0.4762 0.4695 0.4446 0.0180 0.0263 0.0053 356 ASP A O 2698 C CB . ASP A 354 ? 0.5703 0.5542 0.5286 0.0198 0.0279 0.0024 356 ASP A CB 2699 C CG . ASP A 354 ? 0.6545 0.6367 0.6119 0.0212 0.0296 0.0019 356 ASP A CG 2700 O OD1 . ASP A 354 ? 0.8012 0.7836 0.7581 0.0226 0.0320 0.0025 356 ASP A OD1 2701 O OD2 . ASP A 354 ? 0.6442 0.6248 0.6014 0.0210 0.0286 0.0009 356 ASP A OD2 2702 N N . ASP A 355 ? 0.4860 0.4738 0.4468 0.0173 0.0251 0.0037 357 ASP A N 2703 C CA . ASP A 355 ? 0.4848 0.4741 0.4474 0.0157 0.0227 0.0039 357 ASP A CA 2704 C C . ASP A 355 ? 0.4626 0.4529 0.4286 0.0151 0.0214 0.0037 357 ASP A C 2705 O O . ASP A 355 ? 0.4271 0.4200 0.3966 0.0143 0.0202 0.0043 357 ASP A O 2706 C CB . ASP A 355 ? 0.4064 0.3926 0.3647 0.0147 0.0212 0.0031 357 ASP A CB 2707 C CG . ASP A 355 ? 0.6240 0.6095 0.5791 0.0149 0.0221 0.0035 357 ASP A CG 2708 O OD1 . ASP A 355 ? 0.6787 0.6671 0.6361 0.0147 0.0225 0.0047 357 ASP A OD1 2709 O OD2 . ASP A 355 ? 0.6698 0.6518 0.6200 0.0152 0.0225 0.0027 357 ASP A OD2 2710 N N . ASN A 356 ? 0.3016 0.2897 0.2664 0.0157 0.0216 0.0027 358 ASN A N 2711 C CA . ASN A 356 ? 0.3384 0.3268 0.3056 0.0150 0.0200 0.0023 358 ASN A CA 2712 C C . ASN A 356 ? 0.2965 0.2867 0.2673 0.0159 0.0211 0.0025 358 ASN A C 2713 O O . ASN A 356 ? 0.3335 0.3233 0.3055 0.0157 0.0202 0.0020 358 ASN A O 2714 C CB . ASN A 356 ? 0.3669 0.3515 0.3305 0.0146 0.0189 0.0010 358 ASN A CB 2715 C CG . ASN A 356 ? 0.4015 0.3843 0.3618 0.0135 0.0175 0.0007 358 ASN A CG 2716 O OD1 . ASN A 356 ? 0.3340 0.3180 0.2959 0.0123 0.0157 0.0011 358 ASN A OD1 2717 N ND2 . ASN A 356 ? 0.3923 0.3720 0.3478 0.0140 0.0182 0.0001 358 ASN A ND2 2718 N N . HIS A 357 ? 0.2905 0.2828 0.2631 0.0169 0.0229 0.0035 359 HIS A N 2719 C CA . HIS A 357 ? 0.2821 0.2760 0.2579 0.0178 0.0240 0.0039 359 HIS A CA 2720 C C . HIS A 357 ? 0.3398 0.3374 0.3193 0.0181 0.0250 0.0053 359 HIS A C 2721 O O . HIS A 357 ? 0.3387 0.3366 0.3173 0.0188 0.0266 0.0060 359 HIS A O 2722 C CB . HIS A 357 ? 0.2579 0.2494 0.2311 0.0192 0.0258 0.0033 359 HIS A CB 2723 C CG . HIS A 357 ? 0.2944 0.2820 0.2639 0.0190 0.0249 0.0018 359 HIS A CG 2724 N ND1 . HIS A 357 ? 0.3217 0.3063 0.2864 0.0187 0.0247 0.0011 359 HIS A ND1 2725 C CD2 . HIS A 357 ? 0.3191 0.3054 0.2889 0.0189 0.0241 0.0009 359 HIS A CD2 2726 C CE1 . HIS A 357 ? 0.3084 0.2899 0.2706 0.0185 0.0237 -0.0001 359 HIS A CE1 2727 N NE2 . HIS A 357 ? 0.3616 0.3440 0.3269 0.0186 0.0233 -0.0002 359 HIS A NE2 2728 N N . GLY A 358 ? 0.2989 0.2989 0.2825 0.0176 0.0242 0.0059 360 GLY A N 2729 C CA . GLY A 358 ? 0.2731 0.2765 0.2604 0.0178 0.0250 0.0073 360 GLY A CA 2730 C C . GLY A 358 ? 0.2692 0.2745 0.2578 0.0167 0.0239 0.0080 360 GLY A C 2731 O O . GLY A 358 ? 0.3040 0.3104 0.2924 0.0170 0.0248 0.0089 360 GLY A O 2732 N N . ASP A 359 ? 0.3388 0.3447 0.3289 0.0156 0.0220 0.0077 361 ASP A N 2733 C CA . ASP A 359 ? 0.2666 0.2739 0.2577 0.0144 0.0207 0.0082 361 ASP A CA 2734 C C . ASP A 359 ? 0.3090 0.3195 0.3044 0.0141 0.0205 0.0093 361 ASP A C 2735 O O . ASP A 359 ? 0.3633 0.3744 0.3609 0.0142 0.0203 0.0092 361 ASP A O 2736 C CB . ASP A 359 ? 0.3017 0.3074 0.2916 0.0133 0.0187 0.0073 361 ASP A CB 2737 C CG . ASP A 359 ? 0.3615 0.3687 0.3528 0.0121 0.0173 0.0078 361 ASP A CG 2738 O OD1 . ASP A 359 ? 0.3106 0.3171 0.2998 0.0117 0.0170 0.0078 361 ASP A OD1 2739 O OD2 . ASP A 359 ? 0.3046 0.3135 0.2990 0.0116 0.0165 0.0082 361 ASP A OD2 2740 N N . ILE A 360 ? 0.3156 0.3279 0.3121 0.0138 0.0206 0.0103 362 ILE A N 2741 C CA . ILE A 360 ? 0.2930 0.3082 0.2934 0.0135 0.0205 0.0115 362 ILE A CA 2742 C C . ILE A 360 ? 0.3150 0.3307 0.3174 0.0125 0.0188 0.0112 362 ILE A C 2743 O O . ILE A 360 ? 0.2922 0.3094 0.2974 0.0125 0.0187 0.0116 362 ILE A O 2744 C CB . ILE A 360 ? 0.3433 0.3601 0.3442 0.0133 0.0208 0.0126 362 ILE A CB 2745 C CG1 . ILE A 360 ? 0.3856 0.4025 0.3855 0.0145 0.0228 0.0132 362 ILE A CG1 2746 C CG2 . ILE A 360 ? 0.3081 0.3276 0.3128 0.0127 0.0202 0.0137 362 ILE A CG2 2747 C CD1 . ILE A 360 ? 0.3806 0.3995 0.3816 0.0144 0.0233 0.0146 362 ILE A CD1 2748 N N . GLU A 361 ? 0.3027 0.3173 0.3037 0.0116 0.0174 0.0106 363 GLU A N 2749 C CA . GLU A 361 ? 0.3386 0.3537 0.3414 0.0107 0.0159 0.0103 363 GLU A CA 2750 C C . GLU A 361 ? 0.2738 0.2879 0.2770 0.0110 0.0157 0.0096 363 GLU A C 2751 O O . GLU A 361 ? 0.2979 0.3132 0.3036 0.0108 0.0152 0.0098 363 GLU A O 2752 C CB . GLU A 361 ? 0.3034 0.3174 0.3048 0.0097 0.0145 0.0099 363 GLU A CB 2753 C CG . GLU A 361 ? 0.2766 0.2914 0.2801 0.0088 0.0131 0.0099 363 GLU A CG 2754 C CD . GLU A 361 ? 0.3052 0.3188 0.3075 0.0079 0.0117 0.0095 363 GLU A CD 2755 O OE1 . GLU A 361 ? 0.3308 0.3430 0.3305 0.0079 0.0117 0.0092 363 GLU A OE1 2756 O OE2 . GLU A 361 ? 0.3214 0.3353 0.3252 0.0073 0.0107 0.0095 363 GLU A OE2 2757 N N . MET A 362 ? 0.2573 0.2693 0.2579 0.0116 0.0161 0.0087 364 MET A N 2758 C CA . MET A 362 ? 0.2800 0.2909 0.2809 0.0119 0.0159 0.0080 364 MET A CA 2759 C C . MET A 362 ? 0.3075 0.3200 0.3108 0.0126 0.0170 0.0086 364 MET A C 2760 O O . MET A 362 ? 0.2835 0.2963 0.2885 0.0126 0.0166 0.0084 364 MET A O 2761 C CB . MET A 362 ? 0.2538 0.2619 0.2513 0.0123 0.0162 0.0069 364 MET A CB 2762 C CG . MET A 362 ? 0.2344 0.2413 0.2321 0.0124 0.0156 0.0061 364 MET A CG 2763 S SD . MET A 362 ? 0.2573 0.2643 0.2564 0.0112 0.0135 0.0059 364 MET A SD 2764 C CE . MET A 362 ? 0.1955 0.1994 0.1907 0.0107 0.0125 0.0049 364 MET A CE 2765 N N . ARG A 363 ? 0.2816 0.2951 0.2851 0.0133 0.0184 0.0094 365 ARG A N 2766 C CA . ARG A 363 ? 0.3099 0.3250 0.3159 0.0140 0.0195 0.0101 365 ARG A CA 2767 C C . ARG A 363 ? 0.2890 0.3064 0.2984 0.0132 0.0186 0.0109 365 ARG A C 2768 O O . ARG A 363 ? 0.3088 0.3270 0.3203 0.0134 0.0186 0.0111 365 ARG A O 2769 C CB . ARG A 363 ? 0.2626 0.2783 0.2683 0.0150 0.0213 0.0110 365 ARG A CB 2770 C CG . ARG A 363 ? 0.3173 0.3305 0.3194 0.0158 0.0224 0.0101 365 ARG A CG 2771 C CD . ARG A 363 ? 0.3395 0.3531 0.3418 0.0172 0.0245 0.0109 365 ARG A CD 2772 N NE . ARG A 363 ? 0.3019 0.3157 0.3028 0.0175 0.0255 0.0115 365 ARG A NE 2773 C CZ . ARG A 363 ? 0.3453 0.3572 0.3431 0.0185 0.0270 0.0112 365 ARG A CZ 2774 N NH1 . ARG A 363 ? 0.2902 0.2997 0.2860 0.0193 0.0276 0.0101 365 ARG A NH1 2775 N NH2 . ARG A 363 ? 0.3527 0.3651 0.3495 0.0187 0.0278 0.0119 365 ARG A NH2 2776 N N . GLN A 364 ? 0.2470 0.2652 0.2566 0.0123 0.0177 0.0113 366 GLN A N 2777 C CA . GLN A 364 ? 0.2947 0.3146 0.3070 0.0115 0.0167 0.0119 366 GLN A CA 2778 C C . GLN A 364 ? 0.3226 0.3417 0.3354 0.0110 0.0154 0.0111 366 GLN A C 2779 O O . GLN A 364 ? 0.2572 0.2774 0.2722 0.0109 0.0152 0.0114 366 GLN A O 2780 C CB . GLN A 364 ? 0.3255 0.3461 0.3377 0.0107 0.0160 0.0124 366 GLN A CB 2781 C CG . GLN A 364 ? 0.3599 0.3817 0.3743 0.0098 0.0148 0.0128 366 GLN A CG 2782 C CD . GLN A 364 ? 0.6261 0.6497 0.6420 0.0093 0.0147 0.0139 366 GLN A CD 2783 O OE1 . GLN A 364 ? 0.6999 0.7242 0.7155 0.0098 0.0157 0.0146 366 GLN A OE1 2784 N NE2 . GLN A 364 ? 0.6059 0.6302 0.6231 0.0084 0.0136 0.0141 366 GLN A NE2 2785 N N . LEU A 365 ? 0.2679 0.2851 0.2785 0.0107 0.0147 0.0101 367 LEU A N 2786 C CA . LEU A 365 ? 0.2916 0.3080 0.3026 0.0103 0.0136 0.0094 367 LEU A CA 2787 C C . LEU A 365 ? 0.3325 0.3486 0.3442 0.0109 0.0140 0.0090 367 LEU A C 2788 O O . LEU A 365 ? 0.3284 0.3447 0.3415 0.0106 0.0132 0.0089 367 LEU A O 2789 C CB . LEU A 365 ? 0.2591 0.2736 0.2677 0.0099 0.0127 0.0086 367 LEU A CB 2790 C CG . LEU A 365 ? 0.2922 0.3070 0.3004 0.0091 0.0120 0.0089 367 LEU A CG 2791 C CD1 . LEU A 365 ? 0.2254 0.2382 0.2309 0.0088 0.0114 0.0082 367 LEU A CD1 2792 C CD2 . LEU A 365 ? 0.2442 0.2600 0.2545 0.0083 0.0109 0.0092 367 LEU A CD2 2793 N N . LEU A 366 ? 0.2344 0.2499 0.2451 0.0119 0.0152 0.0089 368 LEU A N 2794 C CA . LEU A 366 ? 0.2598 0.2749 0.2711 0.0125 0.0158 0.0086 368 LEU A CA 2795 C C . LEU A 366 ? 0.2729 0.2900 0.2868 0.0130 0.0166 0.0096 368 LEU A C 2796 O O . LEU A 366 ? 0.2486 0.2657 0.2636 0.0134 0.0170 0.0095 368 LEU A O 2797 C CB . LEU A 366 ? 0.2318 0.2447 0.2403 0.0134 0.0167 0.0078 368 LEU A CB 2798 C CG . LEU A 366 ? 0.2144 0.2250 0.2201 0.0130 0.0157 0.0068 368 LEU A CG 2799 C CD1 . LEU A 366 ? 0.1673 0.1755 0.1704 0.0138 0.0166 0.0060 368 LEU A CD1 2800 C CD2 . LEU A 366 ? 0.2383 0.2487 0.2451 0.0122 0.0142 0.0064 368 LEU A CD2 2801 N N . SER A 367 ? 0.1951 0.2139 0.2102 0.0128 0.0170 0.0106 369 SER A N 2802 C CA . SER A 367 ? 0.2510 0.2718 0.2687 0.0131 0.0178 0.0118 369 SER A CA 2803 C C . SER A 367 ? 0.2315 0.2532 0.2516 0.0128 0.0170 0.0120 369 SER A C 2804 O O . SER A 367 ? 0.2739 0.2968 0.2959 0.0132 0.0177 0.0127 369 SER A O 2805 C CB . SER A 367 ? 0.2191 0.2416 0.2377 0.0128 0.0179 0.0130 369 SER A CB 2806 O OG . SER A 367 ? 0.2898 0.3129 0.3093 0.0117 0.0165 0.0131 369 SER A OG 2807 N N . GLY A 368 ? 0.3134 0.3346 0.3333 0.0119 0.0156 0.0114 370 GLY A N 2808 C CA . GLY A 368 ? 0.3250 0.3469 0.3470 0.0116 0.0149 0.0115 370 GLY A CA 2809 C C . GLY A 368 ? 0.3169 0.3381 0.3391 0.0122 0.0152 0.0110 370 GLY A C 2810 O O . GLY A 368 ? 0.2679 0.2899 0.2920 0.0120 0.0147 0.0112 370 GLY A O 2811 N N . LEU A 369 ? 0.2874 0.3072 0.3079 0.0130 0.0161 0.0104 371 LEU A N 2812 C CA . LEU A 369 ? 0.3204 0.3392 0.3409 0.0136 0.0164 0.0098 371 LEU A CA 2813 C C . LEU A 369 ? 0.2742 0.2940 0.2967 0.0144 0.0175 0.0104 371 LEU A C 2814 O O . LEU A 369 ? 0.4005 0.4194 0.4230 0.0148 0.0175 0.0099 371 LEU A O 2815 C CB . LEU A 369 ? 0.2398 0.2563 0.2573 0.0141 0.0168 0.0087 371 LEU A CB 2816 C CG . LEU A 369 ? 0.2652 0.2801 0.2809 0.0134 0.0154 0.0078 371 LEU A CG 2817 C CD1 . LEU A 369 ? 0.2402 0.2526 0.2528 0.0139 0.0158 0.0068 371 LEU A CD1 2818 C CD2 . LEU A 369 ? 0.2967 0.3115 0.3137 0.0131 0.0144 0.0074 371 LEU A CD2 2819 N N . GLY A 370 ? 0.3148 0.3364 0.3389 0.0147 0.0184 0.0117 372 GLY A N 2820 C CA . GLY A 370 ? 0.2876 0.3107 0.3125 0.0142 0.0183 0.0126 372 GLY A CA 2821 C C . GLY A 370 ? 0.3496 0.3748 0.3776 0.0137 0.0179 0.0138 372 GLY A C 2822 O O . GLY A 370 ? 0.2718 0.2981 0.3015 0.0143 0.0189 0.0148 372 GLY A O 2823 N N . ASN A 371 ? 0.3118 0.3373 0.3403 0.0127 0.0165 0.0137 373 ASN A N 2824 C CA . ASN A 371 ? 0.2297 0.2569 0.2606 0.0121 0.0159 0.0148 373 ASN A CA 2825 C C . ASN A 371 ? 0.2862 0.3136 0.3185 0.0120 0.0154 0.0147 373 ASN A C 2826 O O . ASN A 371 ? 0.2805 0.3066 0.3119 0.0123 0.0153 0.0136 373 ASN A O 2827 C CB . ASN A 371 ? 0.2898 0.3172 0.3204 0.0110 0.0147 0.0148 373 ASN A CB 2828 C CG . ASN A 371 ? 0.3024 0.3295 0.3314 0.0110 0.0150 0.0147 373 ASN A CG 2829 O OD1 . ASN A 371 ? 0.3185 0.3456 0.3469 0.0118 0.0162 0.0150 373 ASN A OD1 2830 N ND2 . ASN A 371 ? 0.2517 0.2784 0.2798 0.0102 0.0140 0.0144 373 ASN A ND2 2831 N N . ASN A 372 ? 0.2068 0.2359 0.2415 0.0116 0.0152 0.0159 374 ASN A N 2832 C CA . ASN A 372 ? 0.2621 0.2916 0.2984 0.0115 0.0147 0.0160 374 ASN A CA 2833 C C . ASN A 372 ? 0.2798 0.3095 0.3165 0.0103 0.0132 0.0160 374 ASN A C 2834 O O . ASN A 372 ? 0.3162 0.3462 0.3541 0.0101 0.0127 0.0162 374 ASN A O 2835 C CB . ASN A 372 ? 0.2640 0.2952 0.3028 0.0119 0.0156 0.0174 374 ASN A CB 2836 C CG . ASN A 372 ? 0.4072 0.4401 0.4476 0.0112 0.0153 0.0189 374 ASN A CG 2837 O OD1 . ASN A 372 ? 0.4572 0.4900 0.4966 0.0106 0.0147 0.0189 374 ASN A OD1 2838 N ND2 . ASN A 372 ? 0.5865 0.6210 0.6295 0.0112 0.0156 0.0203 374 ASN A ND2 2839 N N . ASP A 373 ? 0.2298 0.2592 0.2654 0.0096 0.0126 0.0159 375 ASP A N 2840 C CA . ASP A 373 ? 0.2755 0.3049 0.3113 0.0086 0.0112 0.0160 375 ASP A CA 2841 C C . ASP A 373 ? 0.2545 0.2824 0.2882 0.0083 0.0105 0.0148 375 ASP A C 2842 O O . ASP A 373 ? 0.2432 0.2710 0.2767 0.0074 0.0096 0.0149 375 ASP A O 2843 C CB . ASP A 373 ? 0.2317 0.2625 0.2687 0.0079 0.0109 0.0173 375 ASP A CB 2844 C CG . ASP A 373 ? 0.3318 0.3628 0.3680 0.0081 0.0114 0.0175 375 ASP A CG 2845 O OD1 . ASP A 373 ? 0.3415 0.3736 0.3787 0.0075 0.0111 0.0186 375 ASP A OD1 2846 O OD2 . ASP A 373 ? 0.2927 0.3228 0.3273 0.0087 0.0121 0.0167 375 ASP A OD2 2847 N N . THR A 374 ? 0.1539 0.1806 0.1862 0.0089 0.0109 0.0138 376 THR A N 2848 C CA . THR A 374 ? 0.1666 0.1918 0.1971 0.0086 0.0102 0.0128 376 THR A CA 2849 C C . THR A 374 ? 0.1906 0.2153 0.2216 0.0083 0.0095 0.0124 376 THR A C 2850 O O . THR A 374 ? 0.1685 0.1933 0.2002 0.0088 0.0098 0.0122 376 THR A O 2851 C CB . THR A 374 ? 0.1590 0.1830 0.1878 0.0092 0.0107 0.0119 376 THR A CB 2852 O OG1 . THR A 374 ? 0.1478 0.1720 0.1759 0.0094 0.0114 0.0122 376 THR A OG1 2853 C CG2 . THR A 374 ? 0.1541 0.1767 0.1815 0.0088 0.0099 0.0110 376 THR A CG2 2854 N N . VAL A 375 ? 0.2306 0.2549 0.2611 0.0076 0.0085 0.0122 377 VAL A N 2855 C CA . VAL A 375 ? 0.2164 0.2402 0.2472 0.0075 0.0079 0.0119 377 VAL A CA 2856 C C . VAL A 375 ? 0.2249 0.2472 0.2544 0.0075 0.0075 0.0110 377 VAL A C 2857 O O . VAL A 375 ? 0.2840 0.3057 0.3136 0.0075 0.0071 0.0106 377 VAL A O 2858 C CB . VAL A 375 ? 0.2352 0.2595 0.2667 0.0067 0.0072 0.0125 377 VAL A CB 2859 C CG1 . VAL A 375 ? 0.2005 0.2263 0.2336 0.0065 0.0075 0.0136 377 VAL A CG1 2860 C CG2 . VAL A 375 ? 0.1975 0.2211 0.2278 0.0060 0.0067 0.0124 377 VAL A CG2 2861 N N . CYS A 376 ? 0.1493 0.1710 0.1775 0.0074 0.0075 0.0107 378 CYS A N 2862 C CA . CYS A 376 ? 0.1407 0.1611 0.1678 0.0073 0.0071 0.0100 378 CYS A CA 2863 C C . CYS A 376 ? 0.1558 0.1756 0.1816 0.0076 0.0075 0.0096 378 CYS A C 2864 O O . CYS A 376 ? 0.1747 0.1950 0.2002 0.0076 0.0079 0.0099 378 CYS A O 2865 C CB . CYS A 376 ? 0.1128 0.1329 0.1395 0.0067 0.0065 0.0102 378 CYS A CB 2866 S SG . CYS A 376 ? 0.2597 0.2783 0.2853 0.0066 0.0060 0.0095 378 CYS A SG 2867 N N . VAL A 377 ? 0.1860 0.2046 0.2109 0.0079 0.0073 0.0089 379 VAL A N 2868 C CA . VAL A 377 ? 0.1639 0.1816 0.1873 0.0081 0.0075 0.0085 379 VAL A CA 2869 C C . VAL A 377 ? 0.1968 0.2134 0.2195 0.0078 0.0067 0.0081 379 VAL A C 2870 O O . VAL A 377 ? 0.2173 0.2334 0.2404 0.0078 0.0062 0.0079 379 VAL A O 2871 C CB . VAL A 377 ? 0.1885 0.2057 0.2114 0.0088 0.0080 0.0080 379 VAL A CB 2872 C CG1 . VAL A 377 ? 0.1612 0.1770 0.1823 0.0089 0.0079 0.0075 379 VAL A CG1 2873 C CG2 . VAL A 377 ? 0.2012 0.2195 0.2248 0.0092 0.0090 0.0085 379 VAL A CG2 2874 N N . SER A 378 ? 0.2018 0.2180 0.2234 0.0074 0.0065 0.0082 380 SER A N 2875 C CA . SER A 378 ? 0.1889 0.2042 0.2101 0.0070 0.0058 0.0081 380 SER A CA 2876 C C . SER A 378 ? 0.2274 0.2420 0.2471 0.0069 0.0057 0.0079 380 SER A C 2877 O O . SER A 378 ? 0.2146 0.2295 0.2335 0.0070 0.0063 0.0079 380 SER A O 2878 C CB . SER A 378 ? 0.2095 0.2253 0.2314 0.0065 0.0055 0.0085 380 SER A CB 2879 O OG . SER A 378 ? 0.2362 0.2523 0.2575 0.0061 0.0055 0.0088 380 SER A OG 2880 N N . GLN A 379 ? 0.2147 0.2284 0.2340 0.0065 0.0050 0.0078 381 GLN A N 2881 C CA . GLN A 379 ? 0.2075 0.2204 0.2253 0.0063 0.0047 0.0078 381 GLN A CA 2882 C C . GLN A 379 ? 0.2641 0.2778 0.2818 0.0059 0.0050 0.0082 381 GLN A C 2883 O O . GLN A 379 ? 0.2393 0.2526 0.2557 0.0057 0.0050 0.0082 381 GLN A O 2884 C CB . GLN A 379 ? 0.1629 0.1748 0.1807 0.0059 0.0039 0.0078 381 GLN A CB 2885 C CG . GLN A 379 ? 0.1684 0.1794 0.1848 0.0056 0.0034 0.0078 381 GLN A CG 2886 C CD . GLN A 379 ? 0.2518 0.2619 0.2664 0.0059 0.0036 0.0072 381 GLN A CD 2887 O OE1 . GLN A 379 ? 0.2334 0.2424 0.2476 0.0061 0.0032 0.0068 381 GLN A OE1 2888 N NE2 . GLN A 379 ? 0.2138 0.2243 0.2274 0.0060 0.0043 0.0072 381 GLN A NE2 2889 N N . SER A 380 ? 0.2428 0.2576 0.2616 0.0057 0.0052 0.0086 382 SER A N 2890 C CA . SER A 380 ? 0.2562 0.2718 0.2750 0.0054 0.0054 0.0091 382 SER A CA 2891 C C . SER A 380 ? 0.2522 0.2688 0.2711 0.0057 0.0061 0.0093 382 SER A C 2892 O O . SER A 380 ? 0.2687 0.2860 0.2876 0.0055 0.0064 0.0097 382 SER A O 2893 C CB . SER A 380 ? 0.2079 0.2239 0.2279 0.0050 0.0051 0.0095 382 SER A CB 2894 O OG . SER A 380 ? 0.2612 0.2764 0.2812 0.0047 0.0045 0.0095 382 SER A OG 2895 N N . GLY A 381 ? 0.2845 0.3011 0.3036 0.0063 0.0065 0.0090 383 GLY A N 2896 C CA . GLY A 381 ? 0.2799 0.2975 0.2994 0.0066 0.0073 0.0093 383 GLY A CA 2897 C C . GLY A 381 ? 0.2758 0.2943 0.2969 0.0068 0.0074 0.0095 383 GLY A C 2898 O O . GLY A 381 ? 0.2860 0.3039 0.3076 0.0067 0.0070 0.0093 383 GLY A O 2899 N N . TYR A 382 ? 0.2122 0.2318 0.2341 0.0070 0.0081 0.0100 384 TYR A N 2900 C CA . TYR A 382 ? 0.1945 0.2148 0.2178 0.0072 0.0082 0.0103 384 TYR A CA 2901 C C . TYR A 382 ? 0.1702 0.1918 0.1948 0.0067 0.0081 0.0111 384 TYR A C 2902 O O . TYR A 382 ? 0.1736 0.1957 0.1980 0.0064 0.0082 0.0116 384 TYR A O 2903 C CB . TYR A 382 ? 0.1731 0.1937 0.1966 0.0079 0.0090 0.0102 384 TYR A CB 2904 C CG . TYR A 382 ? 0.1875 0.2087 0.2106 0.0083 0.0099 0.0106 384 TYR A CG 2905 C CD1 . TYR A 382 ? 0.1721 0.1948 0.1967 0.0083 0.0104 0.0115 384 TYR A CD1 2906 C CD2 . TYR A 382 ? 0.2081 0.2284 0.2294 0.0085 0.0102 0.0102 384 TYR A CD2 2907 C CE1 . TYR A 382 ? 0.2355 0.2588 0.2598 0.0087 0.0113 0.0120 384 TYR A CE1 2908 C CE2 . TYR A 382 ? 0.2221 0.2428 0.2429 0.0089 0.0111 0.0106 384 TYR A CE2 2909 C CZ . TYR A 382 ? 0.2822 0.3046 0.3046 0.0090 0.0117 0.0116 384 TYR A CZ 2910 O OH . TYR A 382 ? 0.2870 0.3100 0.3091 0.0094 0.0127 0.0121 384 TYR A OH 2911 N N . THR A 383 ? 0.1738 0.1958 0.1996 0.0065 0.0078 0.0113 385 THR A N 2912 C CA . THR A 383 ? 0.1968 0.2198 0.2236 0.0060 0.0075 0.0121 385 THR A CA 2913 C C . THR A 383 ? 0.2234 0.2474 0.2517 0.0061 0.0077 0.0127 385 THR A C 2914 O O . THR A 383 ? 0.2067 0.2305 0.2353 0.0067 0.0080 0.0124 385 THR A O 2915 C CB . THR A 383 ? 0.1769 0.1990 0.2034 0.0053 0.0066 0.0120 385 THR A CB 2916 O OG1 . THR A 383 ? 0.2032 0.2250 0.2302 0.0056 0.0064 0.0116 385 THR A OG1 2917 C CG2 . THR A 383 ? 0.1524 0.1735 0.1777 0.0052 0.0064 0.0115 385 THR A CG2 2918 N N . LYS A 384 ? 0.2425 0.2676 0.2718 0.0057 0.0076 0.0136 386 LYS A N 2919 C CA . LYS A 384 ? 0.2788 0.3048 0.3096 0.0056 0.0075 0.0144 386 LYS A CA 2920 C C . LYS A 384 ? 0.2574 0.2829 0.2883 0.0049 0.0066 0.0143 386 LYS A C 2921 O O . LYS A 384 ? 0.2419 0.2662 0.2716 0.0046 0.0061 0.0138 386 LYS A O 2922 C CB . LYS A 384 ? 0.3234 0.3508 0.3554 0.0053 0.0077 0.0155 386 LYS A CB 2923 C CG . LYS A 384 ? 0.3021 0.3301 0.3340 0.0060 0.0088 0.0157 386 LYS A CG 2924 C CD . LYS A 384 ? 0.2870 0.3166 0.3204 0.0058 0.0090 0.0171 386 LYS A CD 2925 C CE . LYS A 384 ? 0.2984 0.3285 0.3316 0.0066 0.0102 0.0174 386 LYS A CE 2926 N NZ . LYS A 384 ? 0.3480 0.3797 0.3831 0.0070 0.0110 0.0185 386 LYS A NZ 2927 N N . GLY A 385 ? 0.2749 0.3010 0.3070 0.0047 0.0063 0.0149 387 GLY A N 2928 C CA . GLY A 385 ? 0.2362 0.2617 0.2682 0.0041 0.0055 0.0149 387 GLY A CA 2929 C C . GLY A 385 ? 0.3119 0.3377 0.3441 0.0032 0.0047 0.0157 387 GLY A C 2930 O O . GLY A 385 ? 0.3033 0.3295 0.3363 0.0027 0.0042 0.0163 387 GLY A O 2931 N N . GLU A 386 ? 0.3460 0.3715 0.3774 0.0028 0.0046 0.0157 388 GLU A N 2932 C CA . GLU A 386 ? 0.3744 0.3999 0.4058 0.0019 0.0038 0.0164 388 GLU A CA 2933 C C . GLU A 386 ? 0.3131 0.3370 0.3432 0.0013 0.0030 0.0160 388 GLU A C 2934 O O . GLU A 386 ? 0.3407 0.3645 0.3710 0.0007 0.0024 0.0165 388 GLU A O 2935 C CB . GLU A 386 ? 0.3732 0.3989 0.4042 0.0017 0.0040 0.0166 388 GLU A CB 2936 C CG . GLU A 386 ? 0.5111 0.5385 0.5435 0.0019 0.0045 0.0176 388 GLU A CG 2937 C CD . GLU A 386 ? 0.6521 0.6797 0.6840 0.0021 0.0049 0.0176 388 GLU A CD 2938 O OE1 . GLU A 386 ? 0.6379 0.6647 0.6690 0.0014 0.0043 0.0176 388 GLU A OE1 2939 O OE2 . GLU A 386 ? 0.5984 0.6267 0.6306 0.0028 0.0058 0.0177 388 GLU A OE2 2940 N N . THR A 387 ? 0.2117 0.2343 0.2404 0.0015 0.0031 0.0151 389 THR A N 2941 C CA . THR A 387 ? 0.2104 0.2314 0.2378 0.0011 0.0025 0.0146 389 THR A CA 2942 C C . THR A 387 ? 0.2145 0.2346 0.2412 0.0018 0.0030 0.0137 389 THR A C 2943 O O . THR A 387 ? 0.1812 0.2018 0.2083 0.0024 0.0036 0.0134 389 THR A O 2944 C CB . THR A 387 ? 0.2233 0.2433 0.2496 0.0005 0.0022 0.0147 389 THR A CB 2945 O OG1 . THR A 387 ? 0.1839 0.2035 0.2096 0.0010 0.0027 0.0140 389 THR A OG1 2946 C CG2 . THR A 387 ? 0.1863 0.2075 0.2134 0.0000 0.0019 0.0156 389 THR A CG2 2947 N N . PRO A 388 ? 0.2217 0.2404 0.2474 0.0016 0.0026 0.0133 390 PRO A N 2948 C CA . PRO A 388 ? 0.2039 0.2217 0.2291 0.0022 0.0030 0.0126 390 PRO A CA 2949 C C . PRO A 388 ? 0.1726 0.1897 0.1971 0.0023 0.0032 0.0122 390 PRO A C 2950 O O . PRO A 388 ? 0.1708 0.1871 0.1949 0.0028 0.0034 0.0117 390 PRO A O 2951 C CB . PRO A 388 ? 0.2288 0.2455 0.2533 0.0020 0.0026 0.0125 390 PRO A CB 2952 C CG . PRO A 388 ? 0.2096 0.2266 0.2343 0.0013 0.0020 0.0132 390 PRO A CG 2953 C CD . PRO A 388 ? 0.2283 0.2462 0.2534 0.0009 0.0019 0.0136 390 PRO A CD 2954 N N . PHE A 389 ? 0.1677 0.1850 0.1920 0.0019 0.0031 0.0125 391 PHE A N 2955 C CA . PHE A 389 ? 0.1851 0.2015 0.2085 0.0019 0.0032 0.0122 391 PHE A CA 2956 C C . PHE A 389 ? 0.2084 0.2257 0.2322 0.0021 0.0035 0.0123 391 PHE A C 2957 O O . PHE A 389 ? 0.2322 0.2508 0.2567 0.0020 0.0036 0.0127 391 PHE A O 2958 C CB . PHE A 389 ? 0.2068 0.2221 0.2293 0.0012 0.0027 0.0125 391 PHE A CB 2959 C CG . PHE A 389 ? 0.2102 0.2241 0.2318 0.0010 0.0025 0.0123 391 PHE A CG 2960 C CD1 . PHE A 389 ? 0.2141 0.2270 0.2353 0.0015 0.0028 0.0118 391 PHE A CD1 2961 C CD2 . PHE A 389 ? 0.2228 0.2363 0.2440 0.0004 0.0019 0.0127 391 PHE A CD2 2962 C CE1 . PHE A 389 ? 0.2001 0.2117 0.2204 0.0015 0.0026 0.0117 391 PHE A CE1 2963 C CE2 . PHE A 389 ? 0.2458 0.2578 0.2659 0.0002 0.0016 0.0125 391 PHE A CE2 2964 C CZ . PHE A 389 ? 0.2158 0.2268 0.2354 0.0008 0.0021 0.0120 391 PHE A CZ 2965 N N . VAL A 390 ? 0.1857 0.2024 0.2089 0.0023 0.0037 0.0119 392 VAL A N 2966 C CA . VAL A 390 ? 0.2081 0.2253 0.2314 0.0024 0.0039 0.0120 392 VAL A CA 2967 C C . VAL A 390 ? 0.2245 0.2408 0.2471 0.0021 0.0038 0.0120 392 VAL A C 2968 O O . VAL A 390 ? 0.2119 0.2270 0.2340 0.0021 0.0037 0.0117 392 VAL A O 2969 C CB . VAL A 390 ? 0.1911 0.2087 0.2145 0.0030 0.0043 0.0116 392 VAL A CB 2970 C CG1 . VAL A 390 ? 0.1765 0.1953 0.2006 0.0033 0.0046 0.0117 392 VAL A CG1 2971 C CG2 . VAL A 390 ? 0.1941 0.2108 0.2174 0.0034 0.0043 0.0111 392 VAL A CG2 2972 N N . LYS A 391 ? 0.2553 0.2721 0.2779 0.0019 0.0038 0.0122 393 LYS A N 2973 C CA . LYS A 391 ? 0.2625 0.2785 0.2846 0.0015 0.0037 0.0123 393 LYS A CA 2974 C C . LYS A 391 ? 0.2478 0.2631 0.2696 0.0019 0.0038 0.0120 393 LYS A C 2975 O O . LYS A 391 ? 0.2925 0.3067 0.3140 0.0018 0.0037 0.0120 393 LYS A O 2976 C CB . LYS A 391 ? 0.2863 0.3032 0.3085 0.0012 0.0036 0.0128 393 LYS A CB 2977 C CG . LYS A 391 ? 0.3103 0.3264 0.3321 0.0007 0.0034 0.0130 393 LYS A CG 2978 C CD . LYS A 391 ? 0.3680 0.3850 0.3901 0.0004 0.0033 0.0135 393 LYS A CD 2979 C CE . LYS A 391 ? 0.3816 0.3977 0.4034 -0.0001 0.0031 0.0138 393 LYS A CE 2980 N NZ . LYS A 391 ? 0.4293 0.4463 0.4514 -0.0006 0.0029 0.0144 393 LYS A NZ 2981 N N . ASP A 392 ? 0.2970 0.3128 0.3189 0.0023 0.0040 0.0117 394 ASP A N 2982 C CA . ASP A 392 ? 0.2906 0.3058 0.3123 0.0026 0.0040 0.0114 394 ASP A CA 2983 C C . ASP A 392 ? 0.2773 0.2925 0.2993 0.0031 0.0041 0.0110 394 ASP A C 2984 O O . ASP A 392 ? 0.2399 0.2558 0.2622 0.0033 0.0043 0.0110 394 ASP A O 2985 C CB . ASP A 392 ? 0.3031 0.3188 0.3246 0.0026 0.0041 0.0115 394 ASP A CB 2986 C CG . ASP A 392 ? 0.4345 0.4498 0.4558 0.0021 0.0039 0.0119 394 ASP A CG 2987 O OD1 . ASP A 392 ? 0.4715 0.4859 0.4928 0.0021 0.0038 0.0119 394 ASP A OD1 2988 O OD2 . ASP A 392 ? 0.3807 0.3967 0.4020 0.0018 0.0039 0.0122 394 ASP A OD2 2989 N N . TYR A 393 ? 0.2107 0.2251 0.2327 0.0033 0.0040 0.0109 395 TYR A N 2990 C CA . TYR A 393 ? 0.2325 0.2467 0.2548 0.0038 0.0040 0.0105 395 TYR A CA 2991 C C . TYR A 393 ? 0.1933 0.2082 0.2155 0.0041 0.0042 0.0103 395 TYR A C 2992 O O . TYR A 393 ? 0.1957 0.2110 0.2174 0.0040 0.0043 0.0103 395 TYR A O 2993 C CB . TYR A 393 ? 0.2176 0.2309 0.2400 0.0040 0.0038 0.0105 395 TYR A CB 2994 C CG . TYR A 393 ? 0.2958 0.3083 0.3184 0.0039 0.0039 0.0108 395 TYR A CG 2995 C CD1 . TYR A 393 ? 0.2816 0.2936 0.3042 0.0036 0.0038 0.0112 395 TYR A CD1 2996 C CD2 . TYR A 393 ? 0.2460 0.2581 0.2689 0.0041 0.0040 0.0108 395 TYR A CD2 2997 C CE1 . TYR A 393 ? 0.3097 0.3208 0.3324 0.0036 0.0039 0.0115 395 TYR A CE1 2998 C CE2 . TYR A 393 ? 0.2781 0.2892 0.3010 0.0041 0.0041 0.0110 395 TYR A CE2 2999 C CZ . TYR A 393 ? 0.3481 0.3587 0.3709 0.0039 0.0041 0.0114 395 TYR A CZ 3000 O OH . TYR A 393 ? 0.2917 0.3012 0.3145 0.0040 0.0044 0.0117 395 TYR A OH 3001 N N . LEU A 394 ? 0.2198 0.2349 0.2423 0.0045 0.0043 0.0100 396 LEU A N 3002 C CA . LEU A 394 ? 0.2034 0.2188 0.2258 0.0049 0.0045 0.0097 396 LEU A CA 3003 C C . LEU A 394 ? 0.2214 0.2359 0.2437 0.0051 0.0042 0.0094 396 LEU A C 3004 O O . LEU A 394 ? 0.2615 0.2756 0.2843 0.0053 0.0040 0.0094 396 LEU A O 3005 C CB . LEU A 394 ? 0.2341 0.2501 0.2571 0.0052 0.0047 0.0096 396 LEU A CB 3006 C CG . LEU A 394 ? 0.2534 0.2705 0.2767 0.0049 0.0050 0.0100 396 LEU A CG 3007 C CD1 . LEU A 394 ? 0.2169 0.2344 0.2410 0.0051 0.0050 0.0101 396 LEU A CD1 3008 C CD2 . LEU A 394 ? 0.2139 0.2316 0.2368 0.0050 0.0053 0.0101 396 LEU A CD2 3009 N N . SER A 395 ? 0.2210 0.2352 0.2425 0.0050 0.0040 0.0093 397 SER A N 3010 C CA . SER A 395 ? 0.2125 0.2258 0.2339 0.0051 0.0036 0.0092 397 SER A CA 3011 C C . SER A 395 ? 0.1967 0.2098 0.2182 0.0056 0.0036 0.0088 397 SER A C 3012 O O . SER A 395 ? 0.1904 0.2039 0.2116 0.0059 0.0040 0.0085 397 SER A O 3013 C CB . SER A 395 ? 0.1802 0.1930 0.2005 0.0049 0.0033 0.0092 397 SER A CB 3014 O OG . SER A 395 ? 0.2963 0.3095 0.3165 0.0044 0.0034 0.0096 397 SER A OG 3015 N N . PRO A 396 ? 0.2071 0.2196 0.2293 0.0057 0.0032 0.0088 398 PRO A N 3016 C CA . PRO A 396 ? 0.2205 0.2327 0.2429 0.0061 0.0031 0.0084 398 PRO A CA 3017 C C . PRO A 396 ? 0.2193 0.2307 0.2404 0.0061 0.0028 0.0081 398 PRO A C 3018 O O . PRO A 396 ? 0.1882 0.1992 0.2085 0.0057 0.0026 0.0083 398 PRO A O 3019 C CB . PRO A 396 ? 0.2052 0.2170 0.2287 0.0062 0.0027 0.0087 398 PRO A CB 3020 C CG . PRO A 396 ? 0.2347 0.2462 0.2581 0.0058 0.0025 0.0092 398 PRO A CG 3021 C CD . PRO A 396 ? 0.2203 0.2323 0.2431 0.0055 0.0029 0.0092 398 PRO A CD 3022 N N . PRO A 397 ? 0.2096 0.2205 0.2304 0.0065 0.0028 0.0076 399 PRO A N 3023 C CA . PRO A 397 ? 0.1695 0.1809 0.1912 0.0070 0.0032 0.0074 399 PRO A CA 3024 C C . PRO A 397 ? 0.1618 0.1744 0.1838 0.0071 0.0039 0.0075 399 PRO A C 3025 O O . PRO A 397 ? 0.1466 0.1595 0.1678 0.0070 0.0043 0.0075 399 PRO A O 3026 C CB . PRO A 397 ? 0.2051 0.2155 0.2260 0.0073 0.0030 0.0069 399 PRO A CB 3027 C CG . PRO A 397 ? 0.2200 0.2293 0.2399 0.0069 0.0022 0.0070 399 PRO A CG 3028 C CD . PRO A 397 ? 0.2175 0.2272 0.2369 0.0065 0.0024 0.0073 399 PRO A CD 3029 N N . LYS A 398 ? 0.1996 0.2128 0.2228 0.0074 0.0042 0.0075 400 LYS A N 3030 C CA . LYS A 398 ? 0.2223 0.2366 0.2459 0.0074 0.0048 0.0077 400 LYS A CA 3031 C C . LYS A 398 ? 0.2434 0.2582 0.2682 0.0078 0.0049 0.0077 400 LYS A C 3032 O O . LYS A 398 ? 0.1980 0.2124 0.2234 0.0079 0.0045 0.0077 400 LYS A O 3033 C CB . LYS A 398 ? 0.2378 0.2527 0.2616 0.0070 0.0047 0.0082 400 LYS A CB 3034 C CG . LYS A 398 ? 0.2835 0.2980 0.3079 0.0067 0.0043 0.0084 400 LYS A CG 3035 C CD . LYS A 398 ? 0.2595 0.2743 0.2837 0.0063 0.0044 0.0088 400 LYS A CD 3036 C CE . LYS A 398 ? 0.2595 0.2737 0.2841 0.0061 0.0041 0.0091 400 LYS A CE 3037 N NZ . LYS A 398 ? 0.2288 0.2431 0.2531 0.0057 0.0041 0.0094 400 LYS A NZ 3038 N N . TYR A 399 ? 0.1702 0.1861 0.1956 0.0079 0.0054 0.0079 401 TYR A N 3039 C CA . TYR A 399 ? 0.1662 0.1826 0.1927 0.0082 0.0055 0.0080 401 TYR A CA 3040 C C . TYR A 399 ? 0.1679 0.1856 0.1952 0.0081 0.0060 0.0085 401 TYR A C 3041 O O . TYR A 399 ? 0.1682 0.1863 0.1949 0.0080 0.0064 0.0086 401 TYR A O 3042 C CB . TYR A 399 ? 0.1754 0.1913 0.2020 0.0088 0.0057 0.0076 401 TYR A CB 3043 C CG . TYR A 399 ? 0.1689 0.1848 0.1948 0.0091 0.0063 0.0073 401 TYR A CG 3044 C CD1 . TYR A 399 ? 0.2170 0.2319 0.2412 0.0091 0.0063 0.0070 401 TYR A CD1 3045 C CD2 . TYR A 399 ? 0.1741 0.1909 0.2007 0.0095 0.0070 0.0075 401 TYR A CD2 3046 C CE1 . TYR A 399 ? 0.1588 0.1734 0.1820 0.0095 0.0069 0.0068 401 TYR A CE1 3047 C CE2 . TYR A 399 ? 0.1887 0.2054 0.2146 0.0099 0.0078 0.0074 401 TYR A CE2 3048 C CZ . TYR A 399 ? 0.2159 0.2314 0.2399 0.0099 0.0077 0.0070 401 TYR A CZ 3049 O OH . TYR A 399 ? 0.1859 0.2012 0.2090 0.0104 0.0086 0.0068 401 TYR A OH 3050 N N . GLY A 400 ? 0.1960 0.2143 0.2243 0.0081 0.0060 0.0088 402 GLY A N 3051 C CA . GLY A 400 ? 0.1494 0.1689 0.1786 0.0079 0.0062 0.0093 402 GLY A CA 3052 C C . GLY A 400 ? 0.2177 0.2374 0.2470 0.0073 0.0058 0.0098 402 GLY A C 3053 O O . GLY A 400 ? 0.2019 0.2208 0.2308 0.0071 0.0054 0.0096 402 GLY A O 3054 N N . ARG A 401 ? 0.1908 0.2114 0.2205 0.0070 0.0059 0.0103 403 ARG A N 3055 C CA . ARG A 401 ? 0.2298 0.2505 0.2594 0.0063 0.0055 0.0108 403 ARG A CA 3056 C C . ARG A 401 ? 0.1891 0.2092 0.2175 0.0059 0.0053 0.0107 403 ARG A C 3057 O O . ARG A 401 ? 0.2131 0.2338 0.2415 0.0057 0.0055 0.0111 403 ARG A O 3058 C CB . ARG A 401 ? 0.2110 0.2328 0.2415 0.0060 0.0055 0.0115 403 ARG A CB 3059 C CG . ARG A 401 ? 0.2066 0.2291 0.2384 0.0063 0.0056 0.0117 403 ARG A CG 3060 C CD . ARG A 401 ? 0.1703 0.1941 0.2034 0.0060 0.0057 0.0126 403 ARG A CD 3061 N NE . ARG A 401 ? 0.2265 0.2503 0.2595 0.0052 0.0050 0.0132 403 ARG A NE 3062 C CZ . ARG A 401 ? 0.2413 0.2649 0.2744 0.0049 0.0045 0.0133 403 ARG A CZ 3063 N NH1 . ARG A 401 ? 0.1683 0.1920 0.2021 0.0054 0.0046 0.0130 403 ARG A NH1 3064 N NH2 . ARG A 401 ? 0.2415 0.2649 0.2742 0.0041 0.0038 0.0138 403 ARG A NH2 3065 N N . CYS A 402 ? 0.2129 0.2319 0.2405 0.0059 0.0051 0.0103 404 CYS A N 3066 C CA . CYS A 402 ? 0.2529 0.2713 0.2795 0.0057 0.0050 0.0101 404 CYS A CA 3067 C C . CYS A 402 ? 0.2266 0.2445 0.2527 0.0051 0.0047 0.0104 404 CYS A C 3068 O O . CYS A 402 ? 0.2008 0.2180 0.2268 0.0050 0.0044 0.0104 404 CYS A O 3069 C CB . CYS A 402 ? 0.2454 0.2629 0.2716 0.0061 0.0050 0.0096 404 CYS A CB 3070 S SG . CYS A 402 ? 0.3513 0.3691 0.3775 0.0067 0.0054 0.0092 404 CYS A SG 3071 N N . GLN A 403 ? 0.1562 0.1743 0.1819 0.0048 0.0047 0.0106 405 GLN A N 3072 C CA . GLN A 403 ? 0.1837 0.2012 0.2088 0.0042 0.0043 0.0109 405 GLN A CA 3073 C C . GLN A 403 ? 0.1933 0.2095 0.2176 0.0041 0.0042 0.0106 405 GLN A C 3074 O O . GLN A 403 ? 0.1873 0.2032 0.2115 0.0045 0.0043 0.0103 405 GLN A O 3075 C CB . GLN A 403 ? 0.1468 0.1650 0.1719 0.0038 0.0044 0.0113 405 GLN A CB 3076 C CG . GLN A 403 ? 0.1729 0.1923 0.1989 0.0036 0.0044 0.0119 405 GLN A CG 3077 C CD . GLN A 403 ? 0.1889 0.2093 0.2155 0.0041 0.0049 0.0119 405 GLN A CD 3078 O OE1 . GLN A 403 ? 0.1701 0.1903 0.1965 0.0047 0.0052 0.0114 405 GLN A OE1 3079 N NE2 . GLN A 403 ? 0.2322 0.2538 0.2597 0.0040 0.0050 0.0126 405 GLN A NE2 3080 N N . LEU A 404 ? 0.1666 0.1821 0.1904 0.0037 0.0040 0.0108 406 LEU A N 3081 C CA . LEU A 404 ? 0.1840 0.1982 0.2072 0.0038 0.0040 0.0107 406 LEU A CA 3082 C C . LEU A 404 ? 0.1866 0.2004 0.2092 0.0033 0.0039 0.0109 406 LEU A C 3083 O O . LEU A 404 ? 0.1457 0.1600 0.1682 0.0028 0.0037 0.0112 406 LEU A O 3084 C CB . LEU A 404 ? 0.1832 0.1964 0.2060 0.0038 0.0039 0.0107 406 LEU A CB 3085 C CG . LEU A 404 ? 0.2661 0.2796 0.2896 0.0042 0.0040 0.0105 406 LEU A CG 3086 C CD1 . LEU A 404 ? 0.1708 0.1834 0.1938 0.0042 0.0039 0.0106 406 LEU A CD1 3087 C CD2 . LEU A 404 ? 0.1791 0.1924 0.2031 0.0048 0.0041 0.0103 406 LEU A CD2 3088 N N . LYS A 405 ? 0.2427 0.2559 0.2650 0.0034 0.0040 0.0108 407 LYS A N 3089 C CA . LYS A 405 ? 0.2173 0.2300 0.2391 0.0029 0.0039 0.0111 407 LYS A CA 3090 C C . LYS A 405 ? 0.2221 0.2334 0.2432 0.0027 0.0039 0.0112 407 LYS A C 3091 O O . LYS A 405 ? 0.2709 0.2812 0.2918 0.0030 0.0041 0.0111 407 LYS A O 3092 C CB . LYS A 405 ? 0.1883 0.2009 0.2102 0.0031 0.0040 0.0110 407 LYS A CB 3093 C CG . LYS A 405 ? 0.2243 0.2366 0.2458 0.0027 0.0039 0.0113 407 LYS A CG 3094 C CD . LYS A 405 ? 0.3025 0.3143 0.3241 0.0028 0.0040 0.0114 407 LYS A CD 3095 C CE . LYS A 405 ? 0.2906 0.3019 0.3119 0.0023 0.0040 0.0118 407 LYS A CE 3096 N NZ . LYS A 405 ? 0.3362 0.3474 0.3578 0.0024 0.0040 0.0120 407 LYS A NZ 3097 N N . THR A 406 ? 0.2287 0.2399 0.2492 0.0021 0.0036 0.0114 408 THR A N 3098 C CA . THR A 406 ? 0.2882 0.2978 0.3077 0.0018 0.0036 0.0115 408 THR A CA 3099 C C . THR A 406 ? 0.2751 0.2847 0.2944 0.0013 0.0034 0.0117 408 THR A C 3100 O O . THR A 406 ? 0.2559 0.2668 0.2757 0.0011 0.0032 0.0119 408 THR A O 3101 C CB . THR A 406 ? 0.2473 0.2563 0.2661 0.0015 0.0033 0.0115 408 THR A CB 3102 O OG1 . THR A 406 ? 0.2740 0.2811 0.2915 0.0014 0.0033 0.0114 408 THR A OG1 3103 C CG2 . THR A 406 ? 0.2363 0.2464 0.2554 0.0009 0.0028 0.0118 408 THR A CG2 3104 N N . ASP A 407 ? 0.3373 0.3453 0.3557 0.0012 0.0035 0.0118 409 ASP A N 3105 C CA . ASP A 407 ? 0.3458 0.3537 0.3640 0.0006 0.0033 0.0121 409 ASP A CA 3106 C C . ASP A 407 ? 0.3699 0.3777 0.3876 0.0000 0.0027 0.0123 409 ASP A C 3107 O O . ASP A 407 ? 0.3737 0.3808 0.3907 -0.0001 0.0026 0.0122 409 ASP A O 3108 C CB . ASP A 407 ? 0.3492 0.3553 0.3667 0.0006 0.0036 0.0121 409 ASP A CB 3109 C CG . ASP A 407 ? 0.5881 0.5940 0.6053 0.0000 0.0033 0.0124 409 ASP A CG 3110 O OD1 . ASP A 407 ? 0.6351 0.6420 0.6531 0.0000 0.0034 0.0127 409 ASP A OD1 3111 O OD2 . ASP A 407 ? 0.4632 0.4680 0.4795 -0.0005 0.0030 0.0125 409 ASP A OD2 3112 N N . SER A 408 ? 0.2399 0.2487 0.2580 -0.0005 0.0024 0.0127 410 SER A N 3113 C CA . SER A 408 ? 0.2687 0.2777 0.2866 -0.0012 0.0018 0.0130 410 SER A CA 3114 C C . SER A 408 ? 0.2701 0.2768 0.2864 -0.0017 0.0015 0.0129 410 SER A C 3115 O O . SER A 408 ? 0.2269 0.2332 0.2427 -0.0022 0.0009 0.0131 410 SER A O 3116 C CB . SER A 408 ? 0.3104 0.3206 0.3291 -0.0017 0.0015 0.0135 410 SER A CB 3117 O OG . SER A 408 ? 0.4449 0.4546 0.4631 -0.0025 0.0008 0.0140 410 SER A OG 3118 N N . GLY A 409 ? 0.3268 0.3319 0.3423 -0.0015 0.0019 0.0127 411 GLY A N 3119 C CA . GLY A 409 ? 0.2948 0.2975 0.3086 -0.0018 0.0017 0.0126 411 GLY A CA 3120 C C . GLY A 409 ? 0.2608 0.2623 0.2735 -0.0016 0.0018 0.0123 411 GLY A C 3121 O O . GLY A 409 ? 0.2901 0.2897 0.3012 -0.0021 0.0014 0.0122 411 GLY A O 3122 N N . ARG A 410 ? 0.2743 0.2768 0.2878 -0.0009 0.0022 0.0120 412 ARG A N 3123 C CA . ARG A 410 ? 0.3402 0.3417 0.3528 -0.0007 0.0023 0.0118 412 ARG A CA 3124 C C . ARG A 410 ? 0.3141 0.3165 0.3268 -0.0012 0.0016 0.0120 412 ARG A C 3125 O O . ARG A 410 ? 0.3274 0.3288 0.3391 -0.0012 0.0015 0.0118 412 ARG A O 3126 C CB . ARG A 410 ? 0.3388 0.3409 0.3523 0.0002 0.0030 0.0115 412 ARG A CB 3127 C CG . ARG A 410 ? 0.4279 0.4286 0.4410 0.0008 0.0038 0.0114 412 ARG A CG 3128 C CD . ARG A 410 ? 0.5263 0.5243 0.5373 0.0006 0.0039 0.0113 412 ARG A CD 3129 N NE . ARG A 410 ? 0.8124 0.8091 0.8230 0.0014 0.0048 0.0112 412 ARG A NE 3130 C CZ . ARG A 410 ? 0.8704 0.8664 0.8803 0.0018 0.0050 0.0110 412 ARG A CZ 3131 N NH1 . ARG A 410 ? 0.6331 0.6294 0.6426 0.0014 0.0044 0.0109 412 ARG A NH1 3132 N NH2 . ARG A 410 ? 0.8783 0.8731 0.8880 0.0026 0.0059 0.0110 412 ARG A NH2 3133 N N . ILE A 411 ? 0.2706 0.2749 0.2846 -0.0016 0.0011 0.0124 413 ILE A N 3134 C CA . ILE A 411 ? 0.2643 0.2695 0.2786 -0.0021 0.0004 0.0128 413 ILE A CA 3135 C C . ILE A 411 ? 0.2872 0.2906 0.3000 -0.0031 -0.0004 0.0130 413 ILE A C 3136 O O . ILE A 411 ? 0.3628 0.3660 0.3754 -0.0036 -0.0008 0.0133 413 ILE A O 3137 C CB . ILE A 411 ? 0.2826 0.2903 0.2989 -0.0022 0.0003 0.0132 413 ILE A CB 3138 C CG1 . ILE A 411 ? 0.3010 0.3102 0.3186 -0.0014 0.0010 0.0130 413 ILE A CG1 3139 C CG2 . ILE A 411 ? 0.2434 0.2521 0.2603 -0.0028 -0.0005 0.0138 413 ILE A CG2 3140 C CD1 . ILE A 411 ? 0.2594 0.2708 0.2786 -0.0013 0.0011 0.0134 413 ILE A CD1 3141 N N . PRO A 412 ? 0.2968 0.2992 0.3084 -0.0033 -0.0008 0.0129 414 PRO A N 3142 C CA . PRO A 412 ? 0.2788 0.2790 0.2884 -0.0042 -0.0016 0.0131 414 PRO A CA 3143 C C . PRO A 412 ? 0.3148 0.3163 0.3254 -0.0052 -0.0027 0.0139 414 PRO A C 3144 O O . PRO A 412 ? 0.2966 0.3006 0.3093 -0.0051 -0.0027 0.0144 414 PRO A O 3145 C CB . PRO A 412 ? 0.2347 0.2338 0.2431 -0.0041 -0.0016 0.0128 414 PRO A CB 3146 C CG . PRO A 412 ? 0.3055 0.3056 0.3149 -0.0030 -0.0006 0.0124 414 PRO A CG 3147 C CD . PRO A 412 ? 0.2564 0.2591 0.2682 -0.0027 -0.0004 0.0126 414 PRO A CD 3148 N N . THR A 413 ? 0.2579 0.2574 0.2668 -0.0062 -0.0035 0.0141 415 THR A N 3149 C CA . THR A 413 ? 0.3268 0.3273 0.3365 -0.0072 -0.0047 0.0150 415 THR A CA 3150 C C . THR A 413 ? 0.2993 0.2987 0.3078 -0.0081 -0.0058 0.0154 415 THR A C 3151 O O . THR A 413 ? 0.3106 0.3082 0.3173 -0.0080 -0.0058 0.0149 415 THR A O 3152 C CB . THR A 413 ? 0.3484 0.3476 0.3574 -0.0077 -0.0049 0.0151 415 THR A CB 3153 O OG1 . THR A 413 ? 0.2972 0.2930 0.3032 -0.0079 -0.0051 0.0145 415 THR A OG1 3154 C CG2 . THR A 413 ? 0.2414 0.2419 0.2517 -0.0068 -0.0039 0.0148 415 THR A CG2 3155 N N . LEU A 414 ? 0.3056 0.3061 0.3152 -0.0091 -0.0069 0.0164 416 LEU A N 3156 C CA . LEU A 414 ? 0.2946 0.2939 0.3030 -0.0102 -0.0083 0.0170 416 LEU A CA 3157 C C . LEU A 414 ? 0.3426 0.3409 0.3505 -0.0114 -0.0095 0.0176 416 LEU A C 3158 O O . LEU A 414 ? 0.2995 0.2992 0.3090 -0.0114 -0.0093 0.0180 416 LEU A O 3159 C CB . LEU A 414 ? 0.2629 0.2647 0.2736 -0.0103 -0.0086 0.0178 416 LEU A CB 3160 C CG . LEU A 414 ? 0.3015 0.3042 0.3127 -0.0094 -0.0077 0.0173 416 LEU A CG 3161 C CD1 . LEU A 414 ? 0.2425 0.2479 0.2562 -0.0096 -0.0081 0.0183 416 LEU A CD1 3162 C CD2 . LEU A 414 ? 0.2675 0.2673 0.2757 -0.0094 -0.0078 0.0165 416 LEU A CD2 3163 N N . PRO A 415 ? 0.3188 0.3146 0.3244 -0.0125 -0.0107 0.0178 417 PRO A N 3164 C CA . PRO A 415 ? 0.3298 0.3245 0.3348 -0.0137 -0.0120 0.0185 417 PRO A CA 3165 C C . PRO A 415 ? 0.3612 0.3588 0.3692 -0.0144 -0.0129 0.0200 417 PRO A C 3166 O O . PRO A 415 ? 0.3627 0.3620 0.3721 -0.0145 -0.0132 0.0206 417 PRO A O 3167 C CB . PRO A 415 ? 0.3376 0.3288 0.3392 -0.0147 -0.0131 0.0182 417 PRO A CB 3168 C CG . PRO A 415 ? 0.3499 0.3416 0.3514 -0.0143 -0.0128 0.0180 417 PRO A CG 3169 C CD . PRO A 415 ? 0.3855 0.3792 0.3887 -0.0127 -0.0110 0.0174 417 PRO A CD 3170 N N . SER A 416 ? 0.3516 0.3498 0.3606 -0.0149 -0.0134 0.0206 418 SER A N 3171 C CA . SER A 416 ? 0.3897 0.3904 0.4014 -0.0157 -0.0144 0.0222 418 SER A CA 3172 C C . SER A 416 ? 0.3419 0.3409 0.3526 -0.0169 -0.0158 0.0228 418 SER A C 3173 O O . SER A 416 ? 0.3802 0.3761 0.3882 -0.0171 -0.0159 0.0219 418 SER A O 3174 C CB . SER A 416 ? 0.4243 0.4284 0.4392 -0.0146 -0.0132 0.0225 418 SER A CB 3175 O OG . SER A 416 ? 0.4157 0.4193 0.4300 -0.0138 -0.0121 0.0216 418 SER A OG 3176 N N . GLY A 417 ? 0.3439 0.3449 0.3570 -0.0178 -0.0169 0.0244 419 GLY A N 3177 C CA . GLY A 417 ? 0.2988 0.2983 0.3112 -0.0192 -0.0184 0.0252 419 GLY A CA 3178 C C . GLY A 417 ? 0.3285 0.3248 0.3381 -0.0205 -0.0201 0.0253 419 GLY A C 3179 O O . GLY A 417 ? 0.3289 0.3251 0.3379 -0.0205 -0.0202 0.0252 419 GLY A O 3180 N N . LEU A 418 ? 0.2494 0.2431 0.2571 -0.0216 -0.0214 0.0254 420 LEU A N 3181 C CA . LEU A 418 ? 0.3152 0.3054 0.3197 -0.0230 -0.0230 0.0254 420 LEU A CA 3182 C C . LEU A 418 ? 0.3082 0.2955 0.3092 -0.0222 -0.0221 0.0236 420 LEU A C 3183 O O . LEU A 418 ? 0.3281 0.3142 0.3278 -0.0212 -0.0207 0.0223 420 LEU A O 3184 C CB . LEU A 418 ? 0.2484 0.2361 0.2513 -0.0242 -0.0244 0.0257 420 LEU A CB 3185 C CG . LEU A 418 ? 0.3336 0.3167 0.3323 -0.0255 -0.0261 0.0254 420 LEU A CG 3186 C CD1 . LEU A 418 ? 0.2689 0.2524 0.2680 -0.0268 -0.0278 0.0267 420 LEU A CD1 3187 C CD2 . LEU A 418 ? 0.4150 0.3956 0.4122 -0.0265 -0.0272 0.0255 420 LEU A CD2 3188 N N . ILE A 419 ? 0.3498 0.3360 0.3493 -0.0228 -0.0228 0.0237 421 ILE A N 3189 C CA . ILE A 419 ? 0.3830 0.3672 0.3798 -0.0219 -0.0217 0.0222 421 ILE A CA 3190 C C . ILE A 419 ? 0.3141 0.2942 0.3068 -0.0232 -0.0233 0.0221 421 ILE A C 3191 O O . ILE A 419 ? 0.3482 0.3283 0.3412 -0.0247 -0.0251 0.0233 421 ILE A O 3192 C CB . ILE A 419 ? 0.3593 0.3468 0.3587 -0.0209 -0.0207 0.0224 421 ILE A CB 3193 C CG1 . ILE A 419 ? 0.3679 0.3581 0.3697 -0.0193 -0.0187 0.0218 421 ILE A CG1 3194 C CG2 . ILE A 419 ? 0.4173 0.4027 0.4139 -0.0206 -0.0203 0.0214 421 ILE A CG2 3195 C CD1 . ILE A 419 ? 0.4698 0.4630 0.4740 -0.0182 -0.0176 0.0219 421 ILE A CD1 3196 N N . ILE A 420 ? 0.3123 0.2888 0.3012 -0.0227 -0.0225 0.0205 422 ILE A N 3197 C CA . ILE A 420 ? 0.2653 0.2374 0.2498 -0.0237 -0.0237 0.0201 422 ILE A CA 3198 C C . ILE A 420 ? 0.2679 0.2384 0.2499 -0.0227 -0.0223 0.0188 422 ILE A C 3199 O O . ILE A 420 ? 0.2615 0.2317 0.2431 -0.0212 -0.0204 0.0176 422 ILE A O 3200 C CB . ILE A 420 ? 0.2840 0.2521 0.2651 -0.0243 -0.0242 0.0195 422 ILE A CB 3201 C CG1 . ILE A 420 ? 0.3858 0.3546 0.3686 -0.0258 -0.0261 0.0209 422 ILE A CG1 3202 C CG2 . ILE A 420 ? 0.2964 0.2594 0.2723 -0.0250 -0.0249 0.0186 422 ILE A CG2 3203 C CD1 . ILE A 420 ? 0.4363 0.4085 0.4230 -0.0251 -0.0253 0.0214 422 ILE A CD1 3204 N N . PRO A 421 ? 0.3253 0.2949 0.3058 -0.0234 -0.0233 0.0191 423 PRO A N 3205 C CA . PRO A 421 ? 0.3370 0.3053 0.3153 -0.0224 -0.0220 0.0180 423 PRO A CA 3206 C C . PRO A 421 ? 0.3723 0.3355 0.3456 -0.0223 -0.0216 0.0167 423 PRO A C 3207 O O . PRO A 421 ? 0.3530 0.3131 0.3238 -0.0234 -0.0229 0.0167 423 PRO A O 3208 C CB . PRO A 421 ? 0.3395 0.3084 0.3179 -0.0235 -0.0235 0.0190 423 PRO A CB 3209 C CG . PRO A 421 ? 0.3397 0.3075 0.3177 -0.0254 -0.0259 0.0202 423 PRO A CG 3210 C CD . PRO A 421 ? 0.3021 0.2715 0.2826 -0.0253 -0.0257 0.0205 423 PRO A CD 3211 N N . GLN A 422 ? 0.3122 0.2744 0.2839 -0.0209 -0.0199 0.0155 424 GLN A N 3212 C CA . GLN A 422 ? 0.3483 0.3057 0.3152 -0.0206 -0.0192 0.0142 424 GLN A CA 3213 C C . GLN A 422 ? 0.3786 0.3353 0.3439 -0.0195 -0.0179 0.0135 424 GLN A C 3214 O O . GLN A 422 ? 0.3138 0.2739 0.2822 -0.0183 -0.0166 0.0135 424 GLN A O 3215 C CB . GLN A 422 ? 0.3101 0.2668 0.2771 -0.0195 -0.0177 0.0135 424 GLN A CB 3216 C CG . GLN A 422 ? 0.3539 0.3054 0.3159 -0.0192 -0.0170 0.0123 424 GLN A CG 3217 C CD . GLN A 422 ? 0.3663 0.3171 0.3271 -0.0175 -0.0148 0.0113 424 GLN A CD 3218 O OE1 . GLN A 422 ? 0.4178 0.3716 0.3817 -0.0161 -0.0132 0.0111 424 GLN A OE1 3219 N NE2 . GLN A 422 ? 0.3414 0.2881 0.2977 -0.0176 -0.0148 0.0106 424 GLN A NE2 3220 N N . ALA A 423 ? 0.3165 0.2687 0.2769 -0.0200 -0.0183 0.0129 425 ALA A N 3221 C CA . ALA A 423 ? 0.3070 0.2579 0.2653 -0.0191 -0.0172 0.0122 425 ALA A CA 3222 C C . ALA A 423 ? 0.3251 0.2702 0.2774 -0.0195 -0.0174 0.0114 425 ALA A C 3223 O O . ALA A 423 ? 0.3880 0.3303 0.3380 -0.0208 -0.0188 0.0115 425 ALA A O 3224 C CB . ALA A 423 ? 0.3201 0.2735 0.2800 -0.0198 -0.0182 0.0131 425 ALA A CB 3225 N N . GLY A 424 ? 0.4204 0.3635 0.3701 -0.0184 -0.0159 0.0105 426 GLY A N 3226 C CA . GLY A 424 ? 0.4161 0.3536 0.3601 -0.0185 -0.0156 0.0096 426 GLY A CA 3227 C C . GLY A 424 ? 0.4889 0.4249 0.4325 -0.0175 -0.0141 0.0088 426 GLY A C 3228 O O . GLY A 424 ? 0.4555 0.3950 0.4034 -0.0168 -0.0134 0.0091 426 GLY A O 3229 N N . THR A 425 ? 0.4177 0.3485 0.3563 -0.0174 -0.0136 0.0080 427 THR A N 3230 C CA . THR A 425 ? 0.4040 0.3331 0.3421 -0.0164 -0.0121 0.0073 427 THR A CA 3231 C C . THR A 425 ? 0.3901 0.3173 0.3272 -0.0178 -0.0138 0.0075 427 THR A C 3232 O O . THR A 425 ? 0.4676 0.3944 0.4054 -0.0172 -0.0129 0.0072 427 THR A O 3233 C CB . THR A 425 ? 0.4385 0.3628 0.3717 -0.0152 -0.0103 0.0062 427 THR A CB 3234 O OG1 . THR A 425 ? 0.4489 0.3680 0.3764 -0.0165 -0.0117 0.0059 427 THR A OG1 3235 C CG2 . THR A 425 ? 0.3855 0.3115 0.3197 -0.0137 -0.0085 0.0060 427 THR A CG2 3236 N N . ASP A 426 ? 0.4607 0.3870 0.3964 -0.0197 -0.0163 0.0081 428 ASP A N 3237 C CA . ASP A 426 ? 0.5374 0.4619 0.4721 -0.0214 -0.0183 0.0085 428 ASP A CA 3238 C C . ASP A 426 ? 0.6009 0.5195 0.5305 -0.0212 -0.0177 0.0074 428 ASP A C 3239 O O . ASP A 426 ? 0.6069 0.5246 0.5367 -0.0218 -0.0183 0.0075 428 ASP A O 3240 C CB . ASP A 426 ? 0.4682 0.3973 0.4084 -0.0214 -0.0185 0.0093 428 ASP A CB 3241 C CG . ASP A 426 ? 0.4502 0.3841 0.3947 -0.0223 -0.0200 0.0106 428 ASP A CG 3242 O OD1 . ASP A 426 ? 0.4863 0.4239 0.4352 -0.0224 -0.0204 0.0114 428 ASP A OD1 3243 O OD2 . ASP A 426 ? 0.4751 0.4089 0.4185 -0.0230 -0.0209 0.0109 428 ASP A OD2 3244 N N . SER A 427 ? 0.8685 0.7833 0.7936 -0.0204 -0.0164 0.0065 429 SER A N 3245 C CA . SER A 427 ? 0.9371 0.8459 0.8570 -0.0202 -0.0157 0.0054 429 SER A CA 3246 C C . SER A 427 ? 0.9638 0.8679 0.8779 -0.0200 -0.0152 0.0047 429 SER A C 3247 O O . SER A 427 ? 0.9610 0.8656 0.8750 -0.0184 -0.0131 0.0043 429 SER A O 3248 C CB . SER A 427 ? 0.9894 0.8988 0.9110 -0.0182 -0.0130 0.0049 429 SER A CB 3249 O OG . SER A 427 ? 1.0374 0.9483 0.9599 -0.0164 -0.0108 0.0045 429 SER A OG 3250 N N . PHE B 9 ? 0.7815 0.7041 0.7187 -0.0342 -0.0351 0.0153 9 PHE B N 3251 C CA . PHE B 9 ? 0.8145 0.7327 0.7470 -0.0362 -0.0376 0.0156 9 PHE B CA 3252 C C . PHE B 9 ? 0.7252 0.6461 0.6594 -0.0371 -0.0389 0.0168 9 PHE B C 3253 O O . PHE B 9 ? 0.6938 0.6116 0.6239 -0.0377 -0.0396 0.0164 9 PHE B O 3254 C CB . PHE B 9 ? 0.8561 0.7680 0.7818 -0.0356 -0.0365 0.0138 9 PHE B CB 3255 C CG . PHE B 9 ? 1.0402 0.9476 0.9627 -0.0358 -0.0365 0.0129 9 PHE B CG 3256 C CD1 . PHE B 9 ? 1.1506 1.0605 1.0768 -0.0354 -0.0360 0.0133 9 PHE B CD1 3257 C CD2 . PHE B 9 ? 1.0447 0.9453 0.9602 -0.0363 -0.0368 0.0118 9 PHE B CD2 3258 C CE1 . PHE B 9 ? 1.0609 0.9667 0.9843 -0.0355 -0.0360 0.0125 9 PHE B CE1 3259 C CE2 . PHE B 9 ? 1.0935 0.9898 1.0060 -0.0364 -0.0367 0.0109 9 PHE B CE2 3260 C CZ . PHE B 9 ? 1.0174 0.9163 0.9339 -0.0360 -0.0363 0.0113 9 PHE B CZ 3261 N N . GLY B 10 ? 0.5591 0.4859 0.4994 -0.0372 -0.0393 0.0183 10 GLY B N 3262 C CA . GLY B 10 ? 0.5367 0.4664 0.4793 -0.0381 -0.0407 0.0197 10 GLY B CA 3263 C C . GLY B 10 ? 0.5831 0.5164 0.5281 -0.0366 -0.0388 0.0195 10 GLY B C 3264 O O . GLY B 10 ? 0.6581 0.5895 0.6001 -0.0369 -0.0391 0.0192 10 GLY B O 3265 N N . LEU B 11 ? 0.3181 0.2564 0.2682 -0.0351 -0.0371 0.0197 11 LEU B N 3266 C CA . LEU B 11 ? 0.3947 0.3376 0.3485 -0.0339 -0.0357 0.0199 11 LEU B CA 3267 C C . LEU B 11 ? 0.4213 0.3628 0.3726 -0.0322 -0.0335 0.0184 11 LEU B C 3268 O O . LEU B 11 ? 0.3944 0.3399 0.3492 -0.0308 -0.0319 0.0184 11 LEU B O 3269 C CB . LEU B 11 ? 0.3544 0.2991 0.3098 -0.0355 -0.0379 0.0217 11 LEU B CB 3270 C CG . LEU B 11 ? 0.3407 0.2916 0.3029 -0.0355 -0.0381 0.0234 11 LEU B CG 3271 C CD1 . LEU B 11 ? 0.3155 0.2678 0.2803 -0.0355 -0.0382 0.0239 11 LEU B CD1 3272 C CD2 . LEU B 11 ? 0.3407 0.2928 0.3041 -0.0373 -0.0406 0.0253 11 LEU B CD2 3273 N N . LEU B 12 ? 0.3609 0.2971 0.3065 -0.0322 -0.0332 0.0171 12 LEU B N 3274 C CA . LEU B 12 ? 0.3595 0.2944 0.3029 -0.0304 -0.0308 0.0155 12 LEU B CA 3275 C C . LEU B 12 ? 0.3755 0.3094 0.3186 -0.0288 -0.0287 0.0143 12 LEU B C 3276 O O . LEU B 12 ? 0.3883 0.3214 0.3302 -0.0271 -0.0264 0.0131 12 LEU B O 3277 C CB . LEU B 12 ? 0.3599 0.2894 0.2970 -0.0311 -0.0314 0.0148 12 LEU B CB 3278 C CG . LEU B 12 ? 0.3521 0.2825 0.2893 -0.0324 -0.0332 0.0159 12 LEU B CG 3279 C CD1 . LEU B 12 ? 0.3541 0.2787 0.2844 -0.0331 -0.0339 0.0151 12 LEU B CD1 3280 C CD2 . LEU B 12 ? 0.2984 0.2338 0.2398 -0.0310 -0.0316 0.0161 12 LEU B CD2 3281 N N . PHE B 13 ? 0.3530 0.2869 0.2973 -0.0295 -0.0295 0.0147 13 PHE B N 3282 C CA . PHE B 13 ? 0.3417 0.2743 0.2855 -0.0283 -0.0278 0.0137 13 PHE B CA 3283 C C . PHE B 13 ? 0.3518 0.2886 0.3008 -0.0281 -0.0277 0.0145 13 PHE B C 3284 O O . PHE B 13 ? 0.3160 0.2551 0.2677 -0.0295 -0.0297 0.0159 13 PHE B O 3285 C CB . PHE B 13 ? 0.3707 0.2970 0.3089 -0.0293 -0.0288 0.0130 13 PHE B CB 3286 C CG . PHE B 13 ? 0.3759 0.2973 0.3082 -0.0294 -0.0287 0.0120 13 PHE B CG 3287 C CD1 . PHE B 13 ? 0.3592 0.2786 0.2888 -0.0312 -0.0310 0.0127 13 PHE B CD1 3288 C CD2 . PHE B 13 ? 0.3506 0.2693 0.2800 -0.0277 -0.0262 0.0105 13 PHE B CD2 3289 C CE1 . PHE B 13 ? 0.3671 0.2819 0.2911 -0.0313 -0.0310 0.0118 13 PHE B CE1 3290 C CE2 . PHE B 13 ? 0.3953 0.3094 0.3191 -0.0277 -0.0260 0.0097 13 PHE B CE2 3291 C CZ . PHE B 13 ? 0.3934 0.3054 0.3144 -0.0295 -0.0284 0.0103 13 PHE B CZ 3292 N N . VAL B 14 ? 0.3375 0.2755 0.2881 -0.0264 -0.0255 0.0137 14 VAL B N 3293 C CA . VAL B 14 ? 0.3606 0.3018 0.3153 -0.0261 -0.0253 0.0143 14 VAL B CA 3294 C C . VAL B 14 ? 0.3821 0.3197 0.3343 -0.0257 -0.0244 0.0133 14 VAL B C 3295 O O . VAL B 14 ? 0.4494 0.3849 0.3993 -0.0242 -0.0224 0.0120 14 VAL B O 3296 C CB . VAL B 14 ? 0.3450 0.2915 0.3047 -0.0245 -0.0234 0.0144 14 VAL B CB 3297 C CG1 . VAL B 14 ? 0.3157 0.2655 0.2796 -0.0243 -0.0232 0.0150 14 VAL B CG1 3298 C CG2 . VAL B 14 ? 0.3466 0.2964 0.3087 -0.0249 -0.0241 0.0153 14 VAL B CG2 3299 N N . GLY B 15 ? 0.4302 0.3669 0.3826 -0.0269 -0.0259 0.0139 15 GLY B N 3300 C CA . GLY B 15 ? 0.4243 0.3576 0.3743 -0.0265 -0.0252 0.0130 15 GLY B CA 3301 C C . GLY B 15 ? 0.4860 0.4227 0.4403 -0.0257 -0.0242 0.0133 15 GLY B C 3302 O O . GLY B 15 ? 0.4801 0.4217 0.4391 -0.0258 -0.0246 0.0144 15 GLY B O 3303 N N . PHE B 16 ? 0.6724 0.6066 0.6251 -0.0248 -0.0228 0.0123 16 PHE B N 3304 C CA . PHE B 16 ? 0.7195 0.6566 0.6759 -0.0240 -0.0217 0.0125 16 PHE B CA 3305 C C . PHE B 16 ? 0.7124 0.6479 0.6685 -0.0253 -0.0233 0.0131 16 PHE B C 3306 O O . PHE B 16 ? 0.8129 0.7436 0.7648 -0.0264 -0.0246 0.0127 16 PHE B O 3307 C CB . PHE B 16 ? 0.7827 0.7186 0.7381 -0.0221 -0.0190 0.0113 16 PHE B CB 3308 C CG . PHE B 16 ? 0.8274 0.7656 0.7840 -0.0206 -0.0173 0.0109 16 PHE B CG 3309 C CD1 . PHE B 16 ? 0.9342 0.8768 0.8952 -0.0193 -0.0157 0.0111 16 PHE B CD1 3310 C CD2 . PHE B 16 ? 0.8670 0.8029 0.8204 -0.0206 -0.0173 0.0104 16 PHE B CD2 3311 C CE1 . PHE B 16 ? 0.9105 0.8551 0.8726 -0.0180 -0.0142 0.0107 16 PHE B CE1 3312 C CE2 . PHE B 16 ? 0.8520 0.7901 0.8066 -0.0193 -0.0158 0.0101 16 PHE B CE2 3313 C CZ . PHE B 16 ? 0.9022 0.8447 0.8612 -0.0180 -0.0142 0.0102 16 PHE B CZ 3314 N N . VAL B 17 ? 0.6676 0.6070 0.6281 -0.0252 -0.0233 0.0139 17 VAL B N 3315 C CA . VAL B 17 ? 0.7182 0.6564 0.6789 -0.0262 -0.0246 0.0145 17 VAL B CA 3316 C C . VAL B 17 ? 0.7696 0.7102 0.7334 -0.0250 -0.0229 0.0144 17 VAL B C 3317 O O . VAL B 17 ? 0.7167 0.6610 0.6836 -0.0236 -0.0212 0.0143 17 VAL B O 3318 C CB . VAL B 17 ? 0.7305 0.6712 0.6938 -0.0280 -0.0271 0.0161 17 VAL B CB 3319 C CG1 . VAL B 17 ? 0.6510 0.5880 0.6104 -0.0296 -0.0293 0.0163 17 VAL B CG1 3320 C CG2 . VAL B 17 ? 0.6786 0.6252 0.6468 -0.0274 -0.0266 0.0171 17 VAL B CG2 3321 N N . ALA B 18 ? 0.9517 0.8900 0.9146 -0.0255 -0.0235 0.0144 18 ALA B N 3322 C CA . ALA B 18 ? 0.8516 0.7911 0.8166 -0.0244 -0.0219 0.0141 18 ALA B CA 3323 C C . ALA B 18 ? 0.9123 0.8573 0.8828 -0.0245 -0.0221 0.0154 18 ALA B C 3324 O O . ALA B 18 ? 0.8961 0.8445 0.8691 -0.0251 -0.0232 0.0165 18 ALA B O 3325 C CB . ALA B 18 ? 0.9361 0.8708 0.8979 -0.0250 -0.0223 0.0136 18 ALA B CB 3326 N N . GLY B 19 ? 1.1025 1.0482 1.0746 -0.0238 -0.0211 0.0154 19 GLY B N 3327 C CA . GLY B 19 ? 1.1549 1.1055 1.1320 -0.0235 -0.0209 0.0164 19 GLY B CA 3328 C C . GLY B 19 ? 1.1061 1.0605 1.0864 -0.0247 -0.0227 0.0179 19 GLY B C 3329 O O . GLY B 19 ? 1.1323 1.0909 1.1157 -0.0241 -0.0221 0.0184 19 GLY B O 3330 N N . GLY B 20 ? 0.7371 0.6899 0.7168 -0.0263 -0.0249 0.0188 20 GLY B N 3331 C CA . GLY B 20 ? 0.7025 0.6586 0.6852 -0.0275 -0.0267 0.0204 20 GLY B CA 3332 C C . GLY B 20 ? 0.7619 0.7176 0.7431 -0.0280 -0.0274 0.0205 20 GLY B C 3333 O O . GLY B 20 ? 0.8429 0.7992 0.8236 -0.0268 -0.0259 0.0196 20 GLY B O 3334 N N . VAL B 21 ? 0.6950 0.6498 0.6757 -0.0297 -0.0298 0.0216 21 VAL B N 3335 C CA . VAL B 21 ? 0.7642 0.7178 0.7429 -0.0305 -0.0310 0.0217 21 VAL B CA 3336 C C . VAL B 21 ? 0.7005 0.6586 0.6822 -0.0297 -0.0301 0.0221 21 VAL B C 3337 O O . VAL B 21 ? 0.6110 0.5704 0.5932 -0.0281 -0.0279 0.0211 21 VAL B O 3338 C CB . VAL B 21 ? 0.7560 0.7043 0.7292 -0.0303 -0.0304 0.0199 21 VAL B CB 3339 C CG1 . VAL B 21 ? 0.6754 0.6215 0.6460 -0.0317 -0.0323 0.0203 21 VAL B CG1 3340 C CG2 . VAL B 21 ? 0.7328 0.6765 0.7028 -0.0306 -0.0305 0.0192 21 VAL B CG2 3341 N N . ALA B 22 ? 0.7084 0.6688 0.6922 -0.0309 -0.0318 0.0236 22 ALA B N 3342 C CA . ALA B 22 ? 0.6179 0.5823 0.6046 -0.0302 -0.0311 0.0242 22 ALA B CA 3343 C C . ALA B 22 ? 0.6925 0.6548 0.6761 -0.0298 -0.0306 0.0231 22 ALA B C 3344 O O . ALA B 22 ? 0.6898 0.6478 0.6693 -0.0308 -0.0318 0.0226 22 ALA B O 3345 C CB . ALA B 22 ? 0.5705 0.5378 0.5604 -0.0316 -0.0331 0.0263 22 ALA B CB 3346 N N . GLY B 23 ? 0.5710 0.5363 0.5564 -0.0284 -0.0288 0.0226 23 GLY B N 3347 C CA . GLY B 23 ? 0.4635 0.4275 0.4466 -0.0280 -0.0283 0.0218 23 GLY B CA 3348 C C . GLY B 23 ? 0.4650 0.4319 0.4505 -0.0288 -0.0296 0.0233 23 GLY B C 3349 O O . GLY B 23 ? 0.5164 0.4871 0.5060 -0.0291 -0.0301 0.0247 23 GLY B O 3350 N N . GLY B 24 ? 0.4322 0.3972 0.4152 -0.0292 -0.0301 0.0229 24 GLY B N 3351 C CA . GLY B 24 ? 0.3934 0.3610 0.3786 -0.0300 -0.0314 0.0244 24 GLY B CA 3352 C C . GLY B 24 ? 0.4445 0.4084 0.4259 -0.0316 -0.0333 0.0245 24 GLY B C 3353 O O . GLY B 24 ? 0.3606 0.3203 0.3375 -0.0314 -0.0329 0.0230 24 GLY B O 3354 N N . TYR B 25 ? 0.3865 0.3520 0.3698 -0.0330 -0.0353 0.0263 25 TYR B N 3355 C CA . TYR B 25 ? 0.4573 0.4198 0.4376 -0.0347 -0.0374 0.0267 25 TYR B CA 3356 C C . TYR B 25 ? 0.4694 0.4299 0.4490 -0.0367 -0.0401 0.0280 25 TYR B C 3357 O O . TYR B 25 ? 0.5092 0.4729 0.4928 -0.0374 -0.0411 0.0298 25 TYR B O 3358 C CB . TYR B 25 ? 0.3950 0.3610 0.3781 -0.0348 -0.0378 0.0279 25 TYR B CB 3359 C CG . TYR B 25 ? 0.4504 0.4187 0.4347 -0.0329 -0.0353 0.0269 25 TYR B CG 3360 C CD1 . TYR B 25 ? 0.3948 0.3602 0.3752 -0.0324 -0.0346 0.0255 25 TYR B CD1 3361 C CD2 . TYR B 25 ? 0.4088 0.3819 0.3978 -0.0316 -0.0337 0.0273 25 TYR B CD2 3362 C CE1 . TYR B 25 ? 0.4271 0.3946 0.4087 -0.0307 -0.0325 0.0246 25 TYR B CE1 3363 C CE2 . TYR B 25 ? 0.3713 0.3464 0.3613 -0.0299 -0.0316 0.0264 25 TYR B CE2 3364 C CZ . TYR B 25 ? 0.3409 0.3132 0.3273 -0.0294 -0.0310 0.0250 25 TYR B CZ 3365 O OH . TYR B 25 ? 0.2443 0.2185 0.2316 -0.0278 -0.0290 0.0241 25 TYR B OH 3366 N N . PHE B 26 ? 0.4174 0.3725 0.3918 -0.0378 -0.0412 0.0271 26 PHE B N 3367 C CA . PHE B 26 ? 0.4586 0.4111 0.4317 -0.0397 -0.0437 0.0281 26 PHE B CA 3368 C C . PHE B 26 ? 0.4375 0.3860 0.4065 -0.0416 -0.0462 0.0285 26 PHE B C 3369 O O . PHE B 26 ? 0.4621 0.4091 0.4285 -0.0414 -0.0458 0.0276 26 PHE B O 3370 C CB . PHE B 26 ? 0.4131 0.3625 0.3837 -0.0392 -0.0429 0.0267 26 PHE B CB 3371 C CG . PHE B 26 ? 0.4646 0.4177 0.4390 -0.0374 -0.0406 0.0264 26 PHE B CG 3372 C CD1 . PHE B 26 ? 0.5118 0.4674 0.4898 -0.0378 -0.0412 0.0277 26 PHE B CD1 3373 C CD2 . PHE B 26 ? 0.4803 0.4345 0.4548 -0.0353 -0.0378 0.0249 26 PHE B CD2 3374 C CE1 . PHE B 26 ? 0.5619 0.5209 0.5433 -0.0362 -0.0392 0.0274 26 PHE B CE1 3375 C CE2 . PHE B 26 ? 0.4393 0.3969 0.4173 -0.0337 -0.0359 0.0247 26 PHE B CE2 3376 C CZ . PHE B 26 ? 0.5209 0.4808 0.5022 -0.0342 -0.0365 0.0259 26 PHE B CZ 3377 N N . TRP B 27 ? 0.4126 0.3593 0.3811 -0.0436 -0.0489 0.0298 27 TRP B N 3378 C CA . TRP B 27 ? 0.4643 0.4063 0.4282 -0.0457 -0.0514 0.0300 27 TRP B CA 3379 C C . TRP B 27 ? 0.4533 0.3891 0.4114 -0.0460 -0.0516 0.0283 27 TRP B C 3380 O O . TRP B 27 ? 0.5428 0.4781 0.5014 -0.0459 -0.0516 0.0282 27 TRP B O 3381 C CB . TRP B 27 ? 0.4620 0.4055 0.4286 -0.0479 -0.0545 0.0326 27 TRP B CB 3382 C CG . TRP B 27 ? 0.4329 0.3809 0.4035 -0.0481 -0.0549 0.0343 27 TRP B CG 3383 C CD1 . TRP B 27 ? 0.3808 0.3345 0.3577 -0.0479 -0.0549 0.0362 27 TRP B CD1 3384 C CD2 . TRP B 27 ? 0.3657 0.3126 0.3341 -0.0485 -0.0554 0.0342 27 TRP B CD2 3385 N NE1 . TRP B 27 ? 0.3774 0.3337 0.3563 -0.0482 -0.0553 0.0374 27 TRP B NE1 3386 C CE2 . TRP B 27 ? 0.3382 0.2905 0.3120 -0.0486 -0.0556 0.0362 27 TRP B CE2 3387 C CE3 . TRP B 27 ? 0.4342 0.3762 0.3966 -0.0488 -0.0556 0.0326 27 TRP B CE3 3388 C CZ2 . TRP B 27 ? 0.3691 0.3220 0.3427 -0.0490 -0.0561 0.0367 27 TRP B CZ2 3389 C CZ3 . TRP B 27 ? 0.4341 0.3767 0.3962 -0.0492 -0.0561 0.0331 27 TRP B CZ3 3390 C CH2 . TRP B 27 ? 0.3922 0.3403 0.3600 -0.0493 -0.0564 0.0351 27 TRP B CH2 3391 N N . GLY B 28 ? 0.4820 0.4132 0.4345 -0.0462 -0.0517 0.0270 28 GLY B N 3392 C CA . GLY B 28 ? 0.5793 0.5040 0.5256 -0.0465 -0.0518 0.0253 28 GLY B CA 3393 C C . GLY B 28 ? 0.6409 0.5605 0.5822 -0.0487 -0.0546 0.0256 28 GLY B C 3394 O O . GLY B 28 ? 0.6318 0.5516 0.5722 -0.0492 -0.0553 0.0260 28 GLY B O 3395 N N . ARG B 29 ? 0.6434 0.5583 0.5812 -0.0500 -0.0564 0.0254 29 ARG B N 3396 C CA . ARG B 29 ? 0.6356 0.5453 0.5683 -0.0524 -0.0594 0.0258 29 ARG B CA 3397 C C . ARG B 29 ? 0.6887 0.5909 0.6139 -0.0523 -0.0590 0.0236 29 ARG B C 3398 O O . ARG B 29 ? 0.6940 0.5954 0.6186 -0.0506 -0.0565 0.0221 29 ARG B O 3399 C CB . ARG B 29 ? 0.5361 0.4469 0.4716 -0.0546 -0.0626 0.0281 29 ARG B CB 3400 C CG . ARG B 29 ? 0.5717 0.4900 0.5148 -0.0546 -0.0627 0.0303 29 ARG B CG 3401 C CD . ARG B 29 ? 0.6109 0.5303 0.5569 -0.0569 -0.0660 0.0329 29 ARG B CD 3402 N NE . ARG B 29 ? 0.5822 0.4974 0.5241 -0.0593 -0.0692 0.0337 29 ARG B NE 3403 C CZ . ARG B 29 ? 0.5987 0.5149 0.5430 -0.0616 -0.0724 0.0362 29 ARG B CZ 3404 N NH1 . ARG B 29 ? 0.4735 0.3948 0.4242 -0.0616 -0.0726 0.0381 29 ARG B NH1 3405 N NH2 . ARG B 29 ? 0.6141 0.5262 0.5542 -0.0639 -0.0753 0.0368 29 ARG B NH2 3406 N N . SER B 30 ? 1.0508 0.9477 0.9705 -0.0542 -0.0614 0.0236 30 SER B N 3407 C CA . SER B 30 ? 1.1078 0.9976 1.0198 -0.0539 -0.0606 0.0214 30 SER B CA 3408 C C . SER B 30 ? 1.2878 1.1709 1.1944 -0.0555 -0.0626 0.0209 30 SER B C 3409 O O . SER B 30 ? 1.3500 1.2329 1.2579 -0.0553 -0.0623 0.0208 30 SER B O 3410 C CB . SER B 30 ? 1.1030 0.9910 1.0115 -0.0545 -0.0612 0.0213 30 SER B CB 3411 O OG . SER B 30 ? 1.2242 1.1048 1.1247 -0.0546 -0.0611 0.0194 30 SER B OG 3412 N N . ASN B 31 ? 1.1596 1.0370 1.0598 -0.0571 -0.0645 0.0205 31 ASN B N 3413 C CA . ASN B 31 ? 1.2143 1.0840 1.1077 -0.0583 -0.0660 0.0195 31 ASN B CA 3414 C C . ASN B 31 ? 1.2876 1.1565 1.1819 -0.0611 -0.0699 0.0215 31 ASN B C 3415 O O . ASN B 31 ? 1.3223 1.1963 1.2230 -0.0614 -0.0705 0.0231 31 ASN B O 3416 C CB . ASN B 31 ? 1.1935 1.0573 1.0793 -0.0587 -0.0662 0.0182 31 ASN B CB 3417 C CG . ASN B 31 ? 1.3536 1.2101 1.2323 -0.0579 -0.0648 0.0159 31 ASN B CG 3418 O OD1 . ASN B 31 ? 1.3812 1.2352 1.2590 -0.0583 -0.0652 0.0156 31 ASN B OD1 3419 N ND2 . ASN B 31 ? 1.3312 1.1842 1.2047 -0.0568 -0.0630 0.0142 31 ASN B ND2 3420 N N . GLY B 32 ? 1.5161 1.3784 1.4039 -0.0632 -0.0725 0.0213 32 GLY B N 3421 C CA . GLY B 32 ? 1.5997 1.4606 1.4877 -0.0661 -0.0765 0.0232 32 GLY B CA 3422 C C . GLY B 32 ? 1.5856 1.4378 1.4657 -0.0677 -0.0785 0.0221 32 GLY B C 3423 O O . GLY B 32 ? 1.5263 1.3738 1.4007 -0.0693 -0.0805 0.0220 32 GLY B O 3424 N N . GLY B 33 ? 1.5146 1.3646 1.3941 -0.0673 -0.0779 0.0213 33 GLY B N 3425 C CA . GLY B 33 ? 1.5624 1.4042 1.4347 -0.0688 -0.0798 0.0204 33 GLY B CA 3426 C C . GLY B 33 ? 1.6137 1.4486 1.4777 -0.0676 -0.0777 0.0177 33 GLY B C 3427 O O . GLY B 33 ? 1.5184 1.3458 1.3752 -0.0691 -0.0795 0.0168 33 GLY B O 3428 N N . GLY B 34 ? 1.6871 1.5247 1.5522 -0.0649 -0.0740 0.0164 34 GLY B N 3429 C CA . GLY B 34 ? 1.6379 1.4697 1.4959 -0.0634 -0.0716 0.0139 34 GLY B CA 3430 C C . GLY B 34 ? 1.6754 1.5024 1.5298 -0.0622 -0.0698 0.0121 34 GLY B C 3431 O O . GLY B 34 ? 1.6692 1.4893 1.5178 -0.0638 -0.0718 0.0116 34 GLY B O 3432 N N . GLY B 35 ? 1.6283 1.4586 1.4860 -0.0595 -0.0661 0.0111 35 GLY B N 3433 C CA . GLY B 35 ? 1.5847 1.4229 1.4492 -0.0577 -0.0639 0.0117 35 GLY B CA 3434 C C . GLY B 35 ? 1.6012 1.4465 1.4742 -0.0576 -0.0641 0.0134 35 GLY B C 3435 O O . GLY B 35 ? 1.6007 1.4448 1.4744 -0.0578 -0.0644 0.0133 35 GLY B O 3436 N N . GLY B 36 ? 1.5583 1.4108 1.4377 -0.0574 -0.0641 0.0148 36 GLY B N 3437 C CA . GLY B 36 ? 1.4616 1.3212 1.3492 -0.0571 -0.0641 0.0165 36 GLY B CA 3438 C C . GLY B 36 ? 1.5091 1.3717 1.4000 -0.0544 -0.0604 0.0154 36 GLY B C 3439 O O . GLY B 36 ? 1.5701 1.4280 1.4566 -0.0532 -0.0585 0.0135 36 GLY B O 3440 N N . ALA B 37 ? 1.5640 1.4342 1.4624 -0.0534 -0.0594 0.0166 37 ALA B N 3441 C CA . ALA B 37 ? 1.5016 1.3749 1.4036 -0.0510 -0.0561 0.0157 37 ALA B CA 3442 C C . ALA B 37 ? 1.4859 1.3674 1.3952 -0.0496 -0.0545 0.0167 37 ALA B C 3443 O O . ALA B 37 ? 1.4539 1.3390 1.3674 -0.0480 -0.0524 0.0166 37 ALA B O 3444 C CB . ALA B 37 ? 1.4896 1.3619 1.3927 -0.0515 -0.0569 0.0161 37 ALA B CB 3445 N N . SER B 38 ? 1.2968 1.1812 1.2077 -0.0503 -0.0556 0.0178 38 SER B N 3446 C CA . SER B 38 ? 1.1398 1.0318 1.0574 -0.0491 -0.0542 0.0188 38 SER B CA 3447 C C . SER B 38 ? 1.0701 0.9677 0.9947 -0.0492 -0.0547 0.0204 38 SER B C 3448 O O . SER B 38 ? 1.1996 1.0957 1.1242 -0.0500 -0.0557 0.0207 38 SER B O 3449 C CB . SER B 38 ? 1.0740 0.9672 0.9916 -0.0464 -0.0504 0.0171 38 SER B CB 3450 O OG . SER B 38 ? 1.1279 1.0173 1.0403 -0.0460 -0.0498 0.0158 38 SER B OG 3451 N N . VAL B 39 ? 0.8369 0.7411 0.7673 -0.0485 -0.0539 0.0216 39 VAL B N 3452 C CA . VAL B 39 ? 0.7653 0.6755 0.7026 -0.0485 -0.0542 0.0233 39 VAL B CA 3453 C C . VAL B 39 ? 0.7324 0.6491 0.6750 -0.0472 -0.0526 0.0240 39 VAL B C 3454 O O . VAL B 39 ? 0.6923 0.6097 0.6345 -0.0476 -0.0532 0.0244 39 VAL B O 3455 C CB . VAL B 39 ? 0.7343 0.6442 0.6727 -0.0511 -0.0578 0.0254 39 VAL B CB 3456 C CG1 . VAL B 39 ? 0.7851 0.6935 0.7212 -0.0528 -0.0601 0.0262 39 VAL B CG1 3457 C CG2 . VAL B 39 ? 0.7444 0.6611 0.6903 -0.0510 -0.0580 0.0274 39 VAL B CG2 3458 N N . SER B 40 ? 0.5776 0.4990 0.5251 -0.0456 -0.0507 0.0242 40 SER B N 3459 C CA . SER B 40 ? 0.5188 0.4465 0.4716 -0.0444 -0.0492 0.0249 40 SER B CA 3460 C C . SER B 40 ? 0.5289 0.4619 0.4880 -0.0447 -0.0498 0.0268 40 SER B C 3461 O O . SER B 40 ? 0.5987 0.5319 0.5591 -0.0445 -0.0495 0.0268 40 SER B O 3462 C CB . SER B 40 ? 0.5378 0.4664 0.4905 -0.0418 -0.0457 0.0230 40 SER B CB 3463 O OG . SER B 40 ? 0.6093 0.5438 0.5670 -0.0406 -0.0443 0.0236 40 SER B OG 3464 N N . SER B 41 ? 0.6556 0.5932 0.6189 -0.0451 -0.0506 0.0285 41 SER B N 3465 C CA . SER B 41 ? 0.6651 0.6076 0.6343 -0.0456 -0.0515 0.0307 41 SER B CA 3466 C C . SER B 41 ? 0.7402 0.6874 0.7139 -0.0436 -0.0488 0.0305 41 SER B C 3467 O O . SER B 41 ? 0.7349 0.6806 0.7069 -0.0421 -0.0468 0.0287 41 SER B O 3468 C CB . SER B 41 ? 0.6776 0.6235 0.6498 -0.0466 -0.0530 0.0327 41 SER B CB 3469 O OG . SER B 41 ? 0.6787 0.6284 0.6533 -0.0449 -0.0507 0.0323 41 SER B OG 3470 N N . THR B 42 ? 0.9376 0.8904 0.9169 -0.0435 -0.0489 0.0323 42 THR B N 3471 C CA . THR B 42 ? 0.9136 0.8713 0.8975 -0.0416 -0.0465 0.0323 42 THR B CA 3472 C C . THR B 42 ? 0.9570 0.9199 0.9452 -0.0410 -0.0459 0.0335 42 THR B C 3473 O O . THR B 42 ? 1.0573 1.0248 1.0505 -0.0408 -0.0457 0.0351 42 THR B O 3474 C CB . THR B 42 ? 0.9575 0.9169 0.9445 -0.0420 -0.0472 0.0335 42 THR B CB 3475 O OG1 . THR B 42 ? 0.9496 0.9145 0.9416 -0.0405 -0.0452 0.0340 42 THR B OG1 3476 C CG2 . THR B 42 ? 1.0071 0.9666 0.9955 -0.0443 -0.0503 0.0359 42 THR B CG2 3477 N N . GLN B 43 ? 1.1300 1.0919 1.1161 -0.0407 -0.0455 0.0327 43 GLN B N 3478 C CA . GLN B 43 ? 1.1021 1.0683 1.0914 -0.0399 -0.0445 0.0334 43 GLN B CA 3479 C C . GLN B 43 ? 1.2188 1.1873 1.2112 -0.0416 -0.0468 0.0360 43 GLN B C 3480 O O . GLN B 43 ? 1.2705 1.2396 1.2648 -0.0429 -0.0486 0.0377 43 GLN B O 3481 C CB . GLN B 43 ? 1.0598 1.0306 1.0532 -0.0379 -0.0419 0.0331 43 GLN B CB 3482 C CG . GLN B 43 ? 1.0941 1.0649 1.0861 -0.0361 -0.0395 0.0313 43 GLN B CG 3483 C CD . GLN B 43 ? 1.1507 1.1256 1.1461 -0.0341 -0.0369 0.0308 43 GLN B CD 3484 O OE1 . GLN B 43 ? 1.2752 1.2534 1.2745 -0.0339 -0.0367 0.0320 43 GLN B OE1 3485 N NE2 . GLN B 43 ? 1.0046 0.9795 0.9989 -0.0325 -0.0349 0.0293 43 GLN B NE2 3486 N N . ALA B 44 ? 1.1975 1.1675 1.1905 -0.0416 -0.0468 0.0364 44 ALA B N 3487 C CA . ALA B 44 ? 1.2095 1.1810 1.2046 -0.0433 -0.0492 0.0387 44 ALA B CA 3488 C C . ALA B 44 ? 1.2860 1.2635 1.2872 -0.0425 -0.0482 0.0405 44 ALA B C 3489 O O . ALA B 44 ? 1.3243 1.3049 1.3284 -0.0408 -0.0462 0.0402 44 ALA B O 3490 C CB . ALA B 44 ? 1.1511 1.1195 1.1424 -0.0440 -0.0501 0.0381 44 ALA B CB 3491 N N . GLY B 45 ? 1.1068 1.0859 1.1099 -0.0436 -0.0498 0.0423 45 GLY B N 3492 C CA . GLY B 45 ? 1.0607 1.0454 1.0696 -0.0430 -0.0491 0.0442 45 GLY B CA 3493 C C . GLY B 45 ? 1.1061 1.0923 1.1151 -0.0416 -0.0472 0.0432 45 GLY B C 3494 O O . GLY B 45 ? 1.0868 1.0767 1.0997 -0.0415 -0.0472 0.0448 45 GLY B O 3495 N N . PHE B 46 ? 0.8791 0.8624 0.8840 -0.0405 -0.0458 0.0407 46 PHE B N 3496 C CA . PHE B 46 ? 0.7374 0.7217 0.7420 -0.0392 -0.0440 0.0395 46 PHE B CA 3497 C C . PHE B 46 ? 0.7169 0.7063 0.7262 -0.0373 -0.0416 0.0398 46 PHE B C 3498 O O . PHE B 46 ? 0.6890 0.6786 0.6976 -0.0355 -0.0393 0.0379 46 PHE B O 3499 C CB . PHE B 46 ? 0.7814 0.7617 0.7808 -0.0383 -0.0427 0.0368 46 PHE B CB 3500 C CG . PHE B 46 ? 0.7644 0.7392 0.7585 -0.0399 -0.0448 0.0362 46 PHE B CG 3501 C CD1 . PHE B 46 ? 0.8137 0.7876 0.8074 -0.0419 -0.0474 0.0378 46 PHE B CD1 3502 C CD2 . PHE B 46 ? 0.7756 0.7462 0.7650 -0.0395 -0.0440 0.0340 46 PHE B CD2 3503 C CE1 . PHE B 46 ? 0.7789 0.7475 0.7673 -0.0435 -0.0493 0.0372 46 PHE B CE1 3504 C CE2 . PHE B 46 ? 0.7817 0.7470 0.7659 -0.0409 -0.0458 0.0334 46 PHE B CE2 3505 C CZ . PHE B 46 ? 0.7001 0.6643 0.6836 -0.0429 -0.0484 0.0350 46 PHE B CZ 3506 N N . ASP B 47 ? 0.7802 0.7735 0.7943 -0.0377 -0.0422 0.0421 47 ASP B N 3507 C CA . ASP B 47 ? 0.8399 0.8380 0.8584 -0.0359 -0.0400 0.0425 47 ASP B CA 3508 C C . ASP B 47 ? 0.7261 0.7252 0.7445 -0.0349 -0.0387 0.0418 47 ASP B C 3509 O O . ASP B 47 ? 0.7614 0.7635 0.7823 -0.0331 -0.0365 0.0413 47 ASP B O 3510 C CB . ASP B 47 ? 0.8276 0.8295 0.8512 -0.0365 -0.0408 0.0453 47 ASP B CB 3511 C CG . ASP B 47 ? 0.9508 0.9539 0.9762 -0.0378 -0.0425 0.0473 47 ASP B CG 3512 O OD1 . ASP B 47 ? 1.0246 1.0243 1.0467 -0.0394 -0.0446 0.0473 47 ASP B OD1 3513 O OD2 . ASP B 47 ? 0.9981 1.0053 1.0280 -0.0371 -0.0417 0.0489 47 ASP B OD2 3514 N N . LYS B 48 ? 0.4114 0.4079 0.4271 -0.0361 -0.0402 0.0417 48 LYS B N 3515 C CA . LYS B 48 ? 0.4622 0.4592 0.4774 -0.0353 -0.0392 0.0410 48 LYS B CA 3516 C C . LYS B 48 ? 0.4191 0.4147 0.4316 -0.0335 -0.0369 0.0382 48 LYS B C 3517 O O . LYS B 48 ? 0.3785 0.3761 0.3923 -0.0320 -0.0351 0.0376 48 LYS B O 3518 C CB . LYS B 48 ? 0.3771 0.3711 0.3893 -0.0371 -0.0415 0.0414 48 LYS B CB 3519 C CG . LYS B 48 ? 0.3991 0.3933 0.4105 -0.0364 -0.0406 0.0406 48 LYS B CG 3520 C CD . LYS B 48 ? 0.4891 0.4784 0.4948 -0.0375 -0.0419 0.0394 48 LYS B CD 3521 C CE . LYS B 48 ? 0.4127 0.4021 0.4178 -0.0375 -0.0420 0.0395 48 LYS B CE 3522 N NZ . LYS B 48 ? 0.4082 0.3989 0.4135 -0.0354 -0.0393 0.0377 48 LYS B NZ 3523 N N . ILE B 49 ? 0.4244 0.4164 0.4332 -0.0336 -0.0369 0.0367 49 ILE B N 3524 C CA . ILE B 49 ? 0.4254 0.4161 0.4318 -0.0319 -0.0347 0.0343 49 ILE B CA 3525 C C . ILE B 49 ? 0.4743 0.4687 0.4844 -0.0301 -0.0325 0.0342 49 ILE B C 3526 O O . ILE B 49 ? 0.4960 0.4914 0.5062 -0.0285 -0.0305 0.0328 49 ILE B O 3527 C CB . ILE B 49 ? 0.5163 0.5023 0.5181 -0.0324 -0.0352 0.0329 49 ILE B CB 3528 C CG1 . ILE B 49 ? 0.4805 0.4626 0.4783 -0.0341 -0.0374 0.0330 49 ILE B CG1 3529 C CG2 . ILE B 49 ? 0.4681 0.4529 0.4677 -0.0306 -0.0329 0.0305 49 ILE B CG2 3530 C CD1 . ILE B 49 ? 0.5480 0.5252 0.5412 -0.0348 -0.0381 0.0318 49 ILE B CD1 3531 N N . GLY B 50 ? 0.4165 0.4129 0.4294 -0.0305 -0.0330 0.0355 50 GLY B N 3532 C CA . GLY B 50 ? 0.3711 0.3710 0.3874 -0.0290 -0.0311 0.0356 50 GLY B CA 3533 C C . GLY B 50 ? 0.3888 0.3924 0.4084 -0.0279 -0.0298 0.0362 50 GLY B C 3534 O O . GLY B 50 ? 0.3802 0.3854 0.4008 -0.0262 -0.0277 0.0351 50 GLY B O 3535 N N . LYS B 51 ? 0.4114 0.4162 0.4327 -0.0289 -0.0312 0.0379 51 LYS B N 3536 C CA . LYS B 51 ? 0.4917 0.5000 0.5164 -0.0280 -0.0301 0.0386 51 LYS B CA 3537 C C . LYS B 51 ? 0.4481 0.4552 0.4704 -0.0271 -0.0289 0.0368 51 LYS B C 3538 O O . LYS B 51 ? 0.3785 0.3879 0.4026 -0.0255 -0.0271 0.0363 51 LYS B O 3539 C CB . LYS B 51 ? 0.5484 0.5583 0.5757 -0.0294 -0.0319 0.0411 51 LYS B CB 3540 C CG . LYS B 51 ? 0.6734 0.6848 0.7034 -0.0304 -0.0331 0.0432 51 LYS B CG 3541 C CD . LYS B 51 ? 0.6906 0.7033 0.7231 -0.0320 -0.0351 0.0458 51 LYS B CD 3542 C CE . LYS B 51 ? 0.8020 0.8168 0.8379 -0.0328 -0.0361 0.0481 51 LYS B CE 3543 N NZ . LYS B 51 ? 0.7346 0.7515 0.7738 -0.0341 -0.0378 0.0509 51 LYS B NZ 3544 N N . ASP B 52 ? 0.3641 0.3673 0.3822 -0.0280 -0.0300 0.0358 52 ASP B N 3545 C CA . ASP B 52 ? 0.3900 0.3919 0.4057 -0.0272 -0.0291 0.0342 52 ASP B CA 3546 C C . ASP B 52 ? 0.3931 0.3947 0.4078 -0.0253 -0.0268 0.0322 52 ASP B C 3547 O O . ASP B 52 ? 0.3776 0.3804 0.3929 -0.0240 -0.0252 0.0313 52 ASP B O 3548 C CB . ASP B 52 ? 0.3840 0.3815 0.3952 -0.0286 -0.0308 0.0337 52 ASP B CB 3549 C CG . ASP B 52 ? 0.4513 0.4492 0.4634 -0.0303 -0.0329 0.0357 52 ASP B CG 3550 O OD1 . ASP B 52 ? 0.4479 0.4496 0.4643 -0.0302 -0.0328 0.0373 52 ASP B OD1 3551 O OD2 . ASP B 52 ? 0.4034 0.3978 0.4119 -0.0317 -0.0347 0.0356 52 ASP B OD2 3552 N N . ILE B 53 ? 0.3523 0.3524 0.3657 -0.0253 -0.0266 0.0315 53 ILE B N 3553 C CA . ILE B 53 ? 0.3166 0.3166 0.3293 -0.0236 -0.0245 0.0297 53 ILE B CA 3554 C C . ILE B 53 ? 0.3448 0.3490 0.3615 -0.0222 -0.0228 0.0301 53 ILE B C 3555 O O . ILE B 53 ? 0.3205 0.3252 0.3370 -0.0207 -0.0210 0.0288 53 ILE B O 3556 C CB . ILE B 53 ? 0.3464 0.3443 0.3574 -0.0239 -0.0248 0.0292 53 ILE B CB 3557 C CG1 . ILE B 53 ? 0.2914 0.2847 0.2977 -0.0249 -0.0259 0.0282 53 ILE B CG1 3558 C CG2 . ILE B 53 ? 0.3572 0.3562 0.3689 -0.0223 -0.0227 0.0280 53 ILE B CG2 3559 C CD1 . ILE B 53 ? 0.2944 0.2853 0.2990 -0.0255 -0.0265 0.0280 53 ILE B CD1 3560 N N . GLN B 54 ? 0.4390 0.4460 0.4592 -0.0226 -0.0233 0.0319 54 GLN B N 3561 C CA . GLN B 54 ? 0.4987 0.5095 0.5226 -0.0212 -0.0216 0.0323 54 GLN B CA 3562 C C . GLN B 54 ? 0.4827 0.4951 0.5078 -0.0204 -0.0208 0.0322 54 GLN B C 3563 O O . GLN B 54 ? 0.4430 0.4571 0.4693 -0.0189 -0.0189 0.0314 54 GLN B O 3564 C CB . GLN B 54 ? 0.5176 0.5311 0.5451 -0.0219 -0.0224 0.0345 54 GLN B CB 3565 C CG . GLN B 54 ? 0.6317 0.6491 0.6629 -0.0205 -0.0207 0.0351 54 GLN B CG 3566 C CD . GLN B 54 ? 0.7830 0.8031 0.8180 -0.0210 -0.0213 0.0374 54 GLN B CD 3567 O OE1 . GLN B 54 ? 0.7280 0.7476 0.7633 -0.0226 -0.0233 0.0390 54 GLN B OE1 3568 N NE2 . GLN B 54 ? 0.7632 0.7862 0.8009 -0.0197 -0.0197 0.0378 54 GLN B NE2 3569 N N . GLN B 55 ? 0.3604 0.3721 0.3851 -0.0215 -0.0222 0.0331 55 GLN B N 3570 C CA . GLN B 55 ? 0.3398 0.3530 0.3657 -0.0210 -0.0216 0.0332 55 GLN B CA 3571 C C . GLN B 55 ? 0.3484 0.3597 0.3715 -0.0199 -0.0203 0.0310 55 GLN B C 3572 O O . GLN B 55 ? 0.3103 0.3233 0.3346 -0.0186 -0.0188 0.0304 55 GLN B O 3573 C CB . GLN B 55 ? 0.3245 0.3374 0.3506 -0.0225 -0.0236 0.0347 55 GLN B CB 3574 C CG . GLN B 55 ? 0.3748 0.3894 0.4025 -0.0220 -0.0230 0.0350 55 GLN B CG 3575 C CD . GLN B 55 ? 0.4304 0.4445 0.4581 -0.0236 -0.0250 0.0365 55 GLN B CD 3576 O OE1 . GLN B 55 ? 0.4764 0.4912 0.5046 -0.0234 -0.0248 0.0366 55 GLN B OE1 3577 N NE2 . GLN B 55 ? 0.4172 0.4301 0.4443 -0.0253 -0.0270 0.0377 55 GLN B NE2 3578 N N . LEU B 56 ? 0.3081 0.3158 0.3272 -0.0205 -0.0210 0.0298 56 LEU B N 3579 C CA . LEU B 56 ? 0.3018 0.3074 0.3180 -0.0195 -0.0199 0.0279 56 LEU B CA 3580 C C . LEU B 56 ? 0.3499 0.3567 0.3670 -0.0178 -0.0178 0.0267 56 LEU B C 3581 O O . LEU B 56 ? 0.2984 0.3055 0.3153 -0.0166 -0.0165 0.0256 56 LEU B O 3582 C CB . LEU B 56 ? 0.2787 0.2800 0.2905 -0.0204 -0.0209 0.0270 56 LEU B CB 3583 C CG . LEU B 56 ? 0.2864 0.2856 0.2961 -0.0220 -0.0228 0.0277 56 LEU B CG 3584 C CD1 . LEU B 56 ? 0.2837 0.2783 0.2886 -0.0226 -0.0234 0.0264 56 LEU B CD1 3585 C CD2 . LEU B 56 ? 0.2332 0.2336 0.2437 -0.0217 -0.0225 0.0278 56 LEU B CD2 3586 N N . ARG B 57 ? 0.3554 0.3628 0.3734 -0.0177 -0.0176 0.0269 57 ARG B N 3587 C CA . ARG B 57 ? 0.3396 0.3481 0.3584 -0.0163 -0.0158 0.0259 57 ARG B CA 3588 C C . ARG B 57 ? 0.3515 0.3635 0.3736 -0.0151 -0.0146 0.0263 57 ARG B C 3589 O O . ARG B 57 ? 0.3698 0.3822 0.3919 -0.0138 -0.0131 0.0251 57 ARG B O 3590 C CB . ARG B 57 ? 0.3907 0.3993 0.4099 -0.0166 -0.0161 0.0263 57 ARG B CB 3591 C CG . ARG B 57 ? 0.5366 0.5438 0.5541 -0.0156 -0.0148 0.0247 57 ARG B CG 3592 C CD . ARG B 57 ? 0.6457 0.6551 0.6655 -0.0151 -0.0141 0.0251 57 ARG B CD 3593 N NE . ARG B 57 ? 0.8116 0.8210 0.8321 -0.0164 -0.0156 0.0265 57 ARG B NE 3594 C CZ . ARG B 57 ? 0.8331 0.8452 0.8566 -0.0164 -0.0155 0.0278 57 ARG B CZ 3595 N NH1 . ARG B 57 ? 0.7388 0.7538 0.7647 -0.0152 -0.0141 0.0279 57 ARG B NH1 3596 N NH2 . ARG B 57 ? 0.7933 0.8054 0.8175 -0.0176 -0.0169 0.0291 57 ARG B NH2 3597 N N . ASN B 58 ? 0.3398 0.3541 0.3647 -0.0157 -0.0152 0.0280 58 ASN B N 3598 C CA . ASN B 58 ? 0.3673 0.3848 0.3954 -0.0146 -0.0140 0.0285 58 ASN B CA 3599 C C . ASN B 58 ? 0.3297 0.3472 0.3574 -0.0141 -0.0135 0.0279 58 ASN B C 3600 O O . ASN B 58 ? 0.2852 0.3045 0.3145 -0.0128 -0.0121 0.0275 58 ASN B O 3601 C CB . ASN B 58 ? 0.3641 0.3841 0.3954 -0.0153 -0.0148 0.0307 58 ASN B CB 3602 C CG . ASN B 58 ? 0.4269 0.4501 0.4614 -0.0140 -0.0132 0.0312 58 ASN B CG 3603 O OD1 . ASN B 58 ? 0.4867 0.5107 0.5219 -0.0132 -0.0122 0.0309 58 ASN B OD1 3604 N ND2 . ASN B 58 ? 0.5160 0.5408 0.5525 -0.0138 -0.0130 0.0320 58 ASN B ND2 3605 N N . ASP B 59 ? 0.4037 0.4191 0.4294 -0.0151 -0.0147 0.0279 59 ASP B N 3606 C CA . ASP B 59 ? 0.4011 0.4162 0.4261 -0.0146 -0.0144 0.0273 59 ASP B CA 3607 C C . ASP B 59 ? 0.3962 0.4100 0.4193 -0.0133 -0.0129 0.0253 59 ASP B C 3608 O O . ASP B 59 ? 0.4022 0.4162 0.4252 -0.0127 -0.0123 0.0248 59 ASP B O 3609 C CB . ASP B 59 ? 0.4073 0.4201 0.4301 -0.0161 -0.0161 0.0276 59 ASP B CB 3610 C CG . ASP B 59 ? 0.3959 0.4103 0.4209 -0.0173 -0.0175 0.0297 59 ASP B CG 3611 O OD1 . ASP B 59 ? 0.4628 0.4803 0.4915 -0.0168 -0.0169 0.0308 59 ASP B OD1 3612 O OD2 . ASP B 59 ? 0.4134 0.4259 0.4367 -0.0187 -0.0192 0.0302 59 ASP B OD2 3613 N N . THR B 60 ? 0.2947 0.3073 0.3164 -0.0129 -0.0124 0.0244 60 THR B N 3614 C CA . THR B 60 ? 0.3597 0.3712 0.3799 -0.0117 -0.0110 0.0227 60 THR B CA 3615 C C . THR B 60 ? 0.3547 0.3689 0.3774 -0.0103 -0.0094 0.0224 60 THR B C 3616 O O . THR B 60 ? 0.3556 0.3693 0.3775 -0.0093 -0.0083 0.0212 60 THR B O 3617 C CB . THR B 60 ? 0.3228 0.3323 0.3409 -0.0117 -0.0108 0.0218 60 THR B CB 3618 O OG1 . THR B 60 ? 0.3223 0.3337 0.3424 -0.0115 -0.0105 0.0224 60 THR B OG1 3619 C CG2 . THR B 60 ? 0.3402 0.3468 0.3556 -0.0131 -0.0123 0.0220 60 THR B CG2 3620 N N . ASN B 61 ? 0.3941 0.4109 0.4197 -0.0103 -0.0093 0.0236 61 ASN B N 3621 C CA . ASN B 61 ? 0.4483 0.4675 0.4762 -0.0090 -0.0079 0.0235 61 ASN B CA 3622 C C . ASN B 61 ? 0.4034 0.4231 0.4317 -0.0082 -0.0072 0.0230 61 ASN B C 3623 O O . ASN B 61 ? 0.4882 0.5086 0.5171 -0.0070 -0.0060 0.0222 61 ASN B O 3624 C CB . ASN B 61 ? 0.4629 0.4847 0.4938 -0.0091 -0.0079 0.0250 61 ASN B CB 3625 C CG . ASN B 61 ? 0.5175 0.5392 0.5483 -0.0096 -0.0083 0.0255 61 ASN B CG 3626 O OD1 . ASN B 61 ? 0.4932 0.5133 0.5221 -0.0094 -0.0080 0.0244 61 ASN B OD1 3627 N ND2 . ASN B 61 ? 0.5285 0.5519 0.5616 -0.0102 -0.0089 0.0271 61 ASN B ND2 3628 N N . ALA B 62 ? 0.3598 0.3791 0.3879 -0.0090 -0.0082 0.0236 62 ALA B N 3629 C CA . ALA B 62 ? 0.3847 0.4045 0.4133 -0.0084 -0.0077 0.0233 62 ALA B CA 3630 C C . ALA B 62 ? 0.3521 0.3702 0.3786 -0.0075 -0.0069 0.0216 62 ALA B C 3631 O O . ALA B 62 ? 0.3551 0.3741 0.3825 -0.0064 -0.0058 0.0210 62 ALA B O 3632 C CB . ALA B 62 ? 0.3640 0.3834 0.3924 -0.0095 -0.0091 0.0242 62 ALA B CB 3633 N N . ALA B 63 ? 0.3527 0.3682 0.3764 -0.0080 -0.0073 0.0209 63 ALA B N 3634 C CA . ALA B 63 ? 0.3968 0.4105 0.4183 -0.0072 -0.0066 0.0195 63 ALA B CA 3635 C C . ALA B 63 ? 0.3940 0.4085 0.4162 -0.0061 -0.0053 0.0187 63 ALA B C 3636 O O . ALA B 63 ? 0.3784 0.3927 0.4004 -0.0051 -0.0043 0.0178 63 ALA B O 3637 C CB . ALA B 63 ? 0.3114 0.3221 0.3297 -0.0080 -0.0073 0.0190 63 ALA B CB 3638 N N . ILE B 64 ? 0.4268 0.4420 0.4498 -0.0063 -0.0053 0.0191 64 ILE B N 3639 C CA . ILE B 64 ? 0.3990 0.4148 0.4225 -0.0054 -0.0043 0.0185 64 ILE B CA 3640 C C . ILE B 64 ? 0.4020 0.4202 0.4279 -0.0044 -0.0033 0.0186 64 ILE B C 3641 O O . ILE B 64 ? 0.3539 0.3721 0.3797 -0.0034 -0.0023 0.0177 64 ILE B O 3642 C CB . ILE B 64 ? 0.4135 0.4294 0.4371 -0.0060 -0.0047 0.0190 64 ILE B CB 3643 C CG1 . ILE B 64 ? 0.3693 0.3825 0.3903 -0.0068 -0.0055 0.0187 64 ILE B CG1 3644 C CG2 . ILE B 64 ? 0.4248 0.4416 0.4491 -0.0051 -0.0036 0.0185 64 ILE B CG2 3645 C CD1 . ILE B 64 ? 0.4267 0.4400 0.4479 -0.0077 -0.0063 0.0195 64 ILE B CD1 3646 N N . GLU B 65 ? 0.3626 0.3825 0.3905 -0.0047 -0.0036 0.0197 65 GLU B N 3647 C CA . GLU B 65 ? 0.3831 0.4052 0.4133 -0.0038 -0.0026 0.0199 65 GLU B CA 3648 C C . GLU B 65 ? 0.3327 0.3545 0.3626 -0.0030 -0.0020 0.0190 65 GLU B C 3649 O O . GLU B 65 ? 0.3660 0.3886 0.3967 -0.0020 -0.0010 0.0185 65 GLU B O 3650 C CB . GLU B 65 ? 0.3827 0.4067 0.4152 -0.0043 -0.0031 0.0214 65 GLU B CB 3651 C CG . GLU B 65 ? 0.4156 0.4406 0.4490 -0.0047 -0.0033 0.0224 65 GLU B CG 3652 C CD . GLU B 65 ? 0.4540 0.4804 0.4894 -0.0056 -0.0042 0.0241 65 GLU B CD 3653 O OE1 . GLU B 65 ? 0.4633 0.4906 0.4997 -0.0060 -0.0045 0.0251 65 GLU B OE1 3654 O OE2 . GLU B 65 ? 0.4218 0.4485 0.4578 -0.0058 -0.0045 0.0245 65 GLU B OE2 3655 N N . GLY B 66 ? 0.3370 0.3575 0.3657 -0.0035 -0.0027 0.0190 66 GLY B N 3656 C CA . GLY B 66 ? 0.3010 0.3211 0.3294 -0.0028 -0.0023 0.0182 66 GLY B CA 3657 C C . GLY B 66 ? 0.2911 0.3101 0.3182 -0.0020 -0.0015 0.0169 66 GLY B C 3658 O O . GLY B 66 ? 0.3164 0.3359 0.3441 -0.0011 -0.0007 0.0164 66 GLY B O 3659 N N . PHE B 67 ? 0.2843 0.3017 0.3095 -0.0024 -0.0017 0.0165 67 PHE B N 3660 C CA . PHE B 67 ? 0.3200 0.3363 0.3441 -0.0016 -0.0010 0.0155 67 PHE B CA 3661 C C . PHE B 67 ? 0.2633 0.2810 0.2887 -0.0009 -0.0001 0.0153 67 PHE B C 3662 O O . PHE B 67 ? 0.2296 0.2473 0.2552 0.0000 0.0006 0.0146 67 PHE B O 3663 C CB . PHE B 67 ? 0.2489 0.2632 0.2709 -0.0022 -0.0013 0.0152 67 PHE B CB 3664 C CG . PHE B 67 ? 0.2397 0.2529 0.2608 -0.0015 -0.0006 0.0143 67 PHE B CG 3665 C CD1 . PHE B 67 ? 0.2229 0.2368 0.2445 -0.0012 -0.0002 0.0142 67 PHE B CD1 3666 C CD2 . PHE B 67 ? 0.2143 0.2261 0.2341 -0.0010 -0.0002 0.0136 67 PHE B CD2 3667 C CE1 . PHE B 67 ? 0.2647 0.2778 0.2857 -0.0006 0.0005 0.0135 67 PHE B CE1 3668 C CE2 . PHE B 67 ? 0.2186 0.2296 0.2378 -0.0004 0.0004 0.0130 67 PHE B CE2 3669 C CZ . PHE B 67 ? 0.2205 0.2321 0.2403 -0.0002 0.0008 0.0129 67 PHE B CZ 3670 N N . ASN B 68 ? 0.2694 0.2883 0.2959 -0.0012 -0.0002 0.0160 68 ASN B N 3671 C CA . ASN B 68 ? 0.2551 0.2752 0.2826 -0.0005 0.0006 0.0158 68 ASN B CA 3672 C C . ASN B 68 ? 0.2629 0.2844 0.2920 0.0003 0.0012 0.0158 68 ASN B C 3673 O O . ASN B 68 ? 0.2563 0.2780 0.2855 0.0011 0.0020 0.0152 68 ASN B O 3674 C CB . ASN B 68 ? 0.2004 0.2216 0.2288 -0.0010 0.0003 0.0167 68 ASN B CB 3675 C CG . ASN B 68 ? 0.2632 0.2831 0.2902 -0.0016 -0.0001 0.0166 68 ASN B CG 3676 O OD1 . ASN B 68 ? 0.2509 0.2695 0.2765 -0.0013 0.0001 0.0158 68 ASN B OD1 3677 N ND2 . ASN B 68 ? 0.2849 0.3052 0.3123 -0.0024 -0.0008 0.0176 68 ASN B ND2 3678 N N . GLY B 69 ? 0.3189 0.3411 0.3490 0.0001 0.0009 0.0164 69 GLY B N 3679 C CA . GLY B 69 ? 0.2586 0.2821 0.2903 0.0008 0.0016 0.0164 69 GLY B CA 3680 C C . GLY B 69 ? 0.3557 0.3784 0.3868 0.0015 0.0019 0.0155 69 GLY B C 3681 O O . GLY B 69 ? 0.3755 0.3991 0.4079 0.0021 0.0024 0.0154 69 GLY B O 3682 N N . ARG B 70 ? 0.3203 0.3414 0.3497 0.0014 0.0017 0.0148 70 ARG B N 3683 C CA . ARG B 70 ? 0.3113 0.3315 0.3402 0.0020 0.0020 0.0141 70 ARG B CA 3684 C C . ARG B 70 ? 0.3330 0.3524 0.3611 0.0026 0.0025 0.0132 70 ARG B C 3685 O O . ARG B 70 ? 0.2691 0.2872 0.2958 0.0023 0.0024 0.0130 70 ARG B O 3686 C CB . ARG B 70 ? 0.3566 0.3754 0.3841 0.0015 0.0014 0.0140 70 ARG B CB 3687 C CG . ARG B 70 ? 0.3550 0.3731 0.3822 0.0020 0.0016 0.0135 70 ARG B CG 3688 C CD . ARG B 70 ? 0.4287 0.4459 0.4550 0.0015 0.0010 0.0138 70 ARG B CD 3689 N NE . ARG B 70 ? 0.5037 0.5195 0.5282 0.0007 0.0005 0.0139 70 ARG B NE 3690 C CZ . ARG B 70 ? 0.4430 0.4589 0.4675 -0.0002 -0.0003 0.0146 70 ARG B CZ 3691 N NH1 . ARG B 70 ? 0.4850 0.5026 0.5112 -0.0004 -0.0005 0.0154 70 ARG B NH1 3692 N NH2 . ARG B 70 ? 0.4337 0.4480 0.4562 -0.0010 -0.0009 0.0147 70 ARG B NH2 3693 N N . ILE B 71 ? 0.3245 0.3447 0.3536 0.0033 0.0031 0.0129 71 ILE B N 3694 C CA . ILE B 71 ? 0.2964 0.3160 0.3248 0.0038 0.0035 0.0122 71 ILE B CA 3695 C C . ILE B 71 ? 0.2822 0.3017 0.3112 0.0046 0.0038 0.0118 71 ILE B C 3696 O O . ILE B 71 ? 0.2549 0.2754 0.2850 0.0050 0.0041 0.0119 71 ILE B O 3697 C CB . ILE B 71 ? 0.2369 0.2573 0.2657 0.0040 0.0039 0.0123 71 ILE B CB 3698 C CG1 . ILE B 71 ? 0.2678 0.2887 0.2966 0.0033 0.0036 0.0130 71 ILE B CG1 3699 C CG2 . ILE B 71 ? 0.2068 0.2263 0.2346 0.0043 0.0041 0.0117 71 ILE B CG2 3700 C CD1 . ILE B 71 ? 0.2936 0.3155 0.3229 0.0035 0.0041 0.0132 71 ILE B CD1 3701 N N . ALA B 72 ? 0.2102 0.2285 0.2384 0.0048 0.0038 0.0113 72 ALA B N 3702 C CA . ALA B 72 ? 0.2684 0.2866 0.2971 0.0054 0.0040 0.0110 72 ALA B CA 3703 C C . ALA B 72 ? 0.2776 0.2961 0.3068 0.0059 0.0043 0.0106 72 ALA B C 3704 O O . ALA B 72 ? 0.2059 0.2242 0.2345 0.0060 0.0045 0.0104 72 ALA B O 3705 C CB . ALA B 72 ? 0.1720 0.1888 0.1997 0.0054 0.0039 0.0107 72 ALA B CB 3706 N N . HIS B 73 ? 0.2673 0.2864 0.2975 0.0064 0.0045 0.0105 73 HIS B N 3707 C CA . HIS B 73 ? 0.2461 0.2652 0.2766 0.0070 0.0048 0.0101 73 HIS B CA 3708 C C . HIS B 73 ? 0.2773 0.2953 0.3071 0.0072 0.0046 0.0097 73 HIS B C 3709 O O . HIS B 73 ? 0.2598 0.2772 0.2895 0.0071 0.0044 0.0098 73 HIS B O 3710 C CB . HIS B 73 ? 0.2326 0.2523 0.2643 0.0074 0.0050 0.0101 73 HIS B CB 3711 C CG . HIS B 73 ? 0.2227 0.2422 0.2545 0.0080 0.0052 0.0096 73 HIS B CG 3712 N ND1 . HIS B 73 ? 0.2445 0.2644 0.2763 0.0082 0.0057 0.0095 73 HIS B ND1 3713 C CD2 . HIS B 73 ? 0.2358 0.2544 0.2675 0.0084 0.0051 0.0092 73 HIS B CD2 3714 C CE1 . HIS B 73 ? 0.3009 0.3202 0.3324 0.0087 0.0058 0.0090 73 HIS B CE1 3715 N NE2 . HIS B 73 ? 0.2727 0.2913 0.3043 0.0088 0.0054 0.0088 73 HIS B NE2 3716 N N . ASP B 74 ? 0.2458 0.2635 0.2753 0.0074 0.0048 0.0093 74 ASP B N 3717 C CA . ASP B 74 ? 0.2337 0.2504 0.2627 0.0075 0.0045 0.0091 74 ASP B CA 3718 C C . ASP B 74 ? 0.1970 0.2133 0.2258 0.0079 0.0046 0.0086 74 ASP B C 3719 O O . ASP B 74 ? 0.2034 0.2203 0.2322 0.0081 0.0049 0.0085 74 ASP B O 3720 C CB . ASP B 74 ? 0.2324 0.2486 0.2604 0.0071 0.0044 0.0092 74 ASP B CB 3721 C CG . ASP B 74 ? 0.2511 0.2663 0.2788 0.0071 0.0042 0.0091 74 ASP B CG 3722 O OD1 . ASP B 74 ? 0.1975 0.2123 0.2257 0.0075 0.0040 0.0090 74 ASP B OD1 3723 O OD2 . ASP B 74 ? 0.2540 0.2687 0.2810 0.0068 0.0041 0.0093 74 ASP B OD2 3724 N N . GLU B 75 ? 0.1091 0.1246 0.1377 0.0080 0.0043 0.0085 75 GLU B N 3725 C CA . GLU B 75 ? 0.2017 0.2166 0.2299 0.0083 0.0042 0.0081 75 GLU B CA 3726 C C . GLU B 75 ? 0.2024 0.2164 0.2303 0.0081 0.0036 0.0081 75 GLU B C 3727 O O . GLU B 75 ? 0.2616 0.2752 0.2902 0.0083 0.0033 0.0083 75 GLU B O 3728 C CB . GLU B 75 ? 0.1853 0.2004 0.2143 0.0087 0.0042 0.0078 75 GLU B CB 3729 C CG . GLU B 75 ? 0.2308 0.2449 0.2592 0.0090 0.0040 0.0074 75 GLU B CG 3730 C CD . GLU B 75 ? 0.2703 0.2843 0.2991 0.0095 0.0041 0.0071 75 GLU B CD 3731 O OE1 . GLU B 75 ? 0.2443 0.2573 0.2723 0.0096 0.0040 0.0067 75 GLU B OE1 3732 O OE2 . GLU B 75 ? 0.2037 0.2186 0.2337 0.0097 0.0044 0.0073 75 GLU B OE2 3733 N N . GLN B 76 ? 0.2697 0.2831 0.2965 0.0079 0.0036 0.0080 76 GLN B N 3734 C CA . GLN B 76 ? 0.2620 0.2746 0.2886 0.0077 0.0030 0.0082 76 GLN B CA 3735 C C . GLN B 76 ? 0.2897 0.3015 0.3152 0.0077 0.0027 0.0078 76 GLN B C 3736 O O . GLN B 76 ? 0.2798 0.2917 0.3043 0.0076 0.0031 0.0075 76 GLN B O 3737 C CB . GLN B 76 ? 0.2551 0.2677 0.2814 0.0073 0.0031 0.0085 76 GLN B CB 3738 C CG . GLN B 76 ? 0.3119 0.3250 0.3387 0.0072 0.0034 0.0089 76 GLN B CG 3739 C CD . GLN B 76 ? 0.3550 0.3678 0.3814 0.0069 0.0034 0.0092 76 GLN B CD 3740 O OE1 . GLN B 76 ? 0.3576 0.3699 0.3838 0.0067 0.0031 0.0094 76 GLN B OE1 3741 N NE2 . GLN B 76 ? 0.2278 0.2410 0.2541 0.0067 0.0037 0.0093 76 GLN B NE2 3742 N N . ALA B 77 ? 0.2801 0.2911 0.3060 0.0078 0.0021 0.0078 77 ALA B N 3743 C CA . ALA B 77 ? 0.2938 0.3037 0.3185 0.0077 0.0017 0.0074 77 ALA B CA 3744 C C . ALA B 77 ? 0.2470 0.2563 0.2712 0.0072 0.0011 0.0078 77 ALA B C 3745 O O . ALA B 77 ? 0.2507 0.2591 0.2736 0.0069 0.0007 0.0076 77 ALA B O 3746 C CB . ALA B 77 ? 0.1584 0.1676 0.1836 0.0080 0.0012 0.0073 77 ALA B CB 3747 N N . ILE B 78 ? 0.2709 0.2806 0.2961 0.0070 0.0011 0.0084 78 ILE B N 3748 C CA . ILE B 78 ? 0.3035 0.3128 0.3287 0.0066 0.0007 0.0090 78 ILE B CA 3749 C C . ILE B 78 ? 0.3302 0.3394 0.3540 0.0062 0.0008 0.0088 78 ILE B C 3750 O O . ILE B 78 ? 0.3310 0.3409 0.3542 0.0063 0.0014 0.0085 78 ILE B O 3751 C CB . ILE B 78 ? 0.3847 0.3946 0.4112 0.0067 0.0010 0.0096 78 ILE B CB 3752 C CG1 . ILE B 78 ? 0.3909 0.4002 0.4185 0.0066 0.0004 0.0103 78 ILE B CG1 3753 C CG2 . ILE B 78 ? 0.3464 0.3567 0.3723 0.0064 0.0015 0.0097 78 ILE B CG2 3754 C CD1 . ILE B 78 ? 0.4187 0.4277 0.4470 0.0069 -0.0001 0.0102 78 ILE B CD1 3755 N N . LYS B 79 ? 0.3692 0.3778 0.3926 0.0058 0.0001 0.0092 79 LYS B N 3756 C CA . LYS B 79 ? 0.4085 0.4169 0.4304 0.0054 0.0002 0.0090 79 LYS B CA 3757 C C . LYS B 79 ? 0.4496 0.4585 0.4719 0.0051 0.0004 0.0096 79 LYS B C 3758 O O . LYS B 79 ? 0.4180 0.4270 0.4392 0.0048 0.0005 0.0095 79 LYS B O 3759 C CB . LYS B 79 ? 0.3661 0.3732 0.3869 0.0050 -0.0007 0.0090 79 LYS B CB 3760 C CG . LYS B 79 ? 0.4749 0.4813 0.4953 0.0053 -0.0011 0.0085 79 LYS B CG 3761 C CD . LYS B 79 ? 0.5002 0.5057 0.5183 0.0053 -0.0010 0.0078 79 LYS B CD 3762 C CE . LYS B 79 ? 0.4043 0.4108 0.4218 0.0056 0.0001 0.0074 79 LYS B CE 3763 N NZ . LYS B 79 ? 0.4237 0.4293 0.4389 0.0056 0.0003 0.0068 79 LYS B NZ 3764 N N . ASN B 80 ? 0.4446 0.4537 0.4683 0.0051 0.0004 0.0102 80 ASN B N 3765 C CA . ASN B 80 ? 0.4841 0.4935 0.5081 0.0049 0.0007 0.0107 80 ASN B CA 3766 C C . ASN B 80 ? 0.4500 0.4600 0.4749 0.0052 0.0013 0.0108 80 ASN B C 3767 O O . ASN B 80 ? 0.4061 0.4161 0.4318 0.0055 0.0014 0.0108 80 ASN B O 3768 C CB . ASN B 80 ? 0.4620 0.4709 0.4870 0.0046 0.0000 0.0116 80 ASN B CB 3769 C CG . ASN B 80 ? 0.4969 0.5050 0.5211 0.0042 -0.0009 0.0116 80 ASN B CG 3770 O OD1 . ASN B 80 ? 0.5161 0.5241 0.5392 0.0038 -0.0011 0.0115 80 ASN B OD1 3771 N ND2 . ASN B 80 ? 0.5381 0.5457 0.5629 0.0043 -0.0014 0.0117 80 ASN B ND2 3772 N N . LEU B 81 ? 0.3687 0.3792 0.3931 0.0050 0.0018 0.0108 81 LEU B N 3773 C CA . LEU B 81 ? 0.3760 0.3868 0.4007 0.0052 0.0024 0.0108 81 LEU B CA 3774 C C . LEU B 81 ? 0.3575 0.3678 0.3833 0.0054 0.0025 0.0113 81 LEU B C 3775 O O . LEU B 81 ? 0.4361 0.4460 0.4624 0.0053 0.0023 0.0119 81 LEU B O 3776 C CB . LEU B 81 ? 0.3508 0.3618 0.3749 0.0048 0.0027 0.0109 81 LEU B CB 3777 C CG . LEU B 81 ? 0.3891 0.4004 0.4131 0.0048 0.0032 0.0108 81 LEU B CG 3778 C CD1 . LEU B 81 ? 0.2753 0.2874 0.2989 0.0049 0.0034 0.0103 81 LEU B CD1 3779 C CD2 . LEU B 81 ? 0.4717 0.4830 0.4953 0.0043 0.0033 0.0111 81 LEU B CD2 3780 N N . ALA B 82 ? 0.3350 0.3456 0.3612 0.0058 0.0028 0.0111 82 ALA B N 3781 C CA . ALA B 82 ? 0.3743 0.3844 0.4013 0.0061 0.0031 0.0115 82 ALA B CA 3782 C C . ALA B 82 ? 0.3563 0.3663 0.3827 0.0059 0.0036 0.0116 82 ALA B C 3783 O O . ALA B 82 ? 0.2830 0.2930 0.3091 0.0060 0.0039 0.0114 82 ALA B O 3784 C CB . ALA B 82 ? 0.2741 0.2844 0.3016 0.0065 0.0032 0.0113 82 ALA B CB 3785 N N . LYS B 83 ? 0.3099 0.3194 0.3361 0.0056 0.0037 0.0120 83 LYS B N 3786 C CA . LYS B 83 ? 0.2971 0.3065 0.3226 0.0054 0.0040 0.0120 83 LYS B CA 3787 C C . LYS B 83 ? 0.2797 0.2884 0.3050 0.0057 0.0046 0.0121 83 LYS B C 3788 O O . LYS B 83 ? 0.2546 0.2633 0.2791 0.0055 0.0047 0.0117 83 LYS B O 3789 C CB . LYS B 83 ? 0.3013 0.3103 0.3269 0.0051 0.0040 0.0125 83 LYS B CB 3790 C CG . LYS B 83 ? 0.4256 0.4343 0.4504 0.0048 0.0043 0.0125 83 LYS B CG 3791 C CD . LYS B 83 ? 0.4170 0.4255 0.4420 0.0045 0.0043 0.0130 83 LYS B CD 3792 C CE . LYS B 83 ? 0.5036 0.5119 0.5278 0.0041 0.0045 0.0129 83 LYS B CE 3793 N NZ . LYS B 83 ? 0.4961 0.5035 0.5198 0.0043 0.0050 0.0129 83 LYS B NZ 3794 N N . GLU B 84 ? 0.2705 0.2786 0.2966 0.0061 0.0048 0.0125 84 GLU B N 3795 C CA . GLU B 84 ? 0.2745 0.2818 0.3003 0.0064 0.0054 0.0127 84 GLU B CA 3796 C C . GLU B 84 ? 0.2227 0.2302 0.2481 0.0066 0.0054 0.0122 84 GLU B C 3797 O O . GLU B 84 ? 0.2203 0.2272 0.2447 0.0065 0.0057 0.0121 84 GLU B O 3798 C CB . GLU B 84 ? 0.2599 0.2665 0.2867 0.0069 0.0057 0.0134 84 GLU B CB 3799 C CG . GLU B 84 ? 0.2676 0.2737 0.2949 0.0068 0.0058 0.0141 84 GLU B CG 3800 C CD . GLU B 84 ? 0.3680 0.3749 0.3963 0.0065 0.0051 0.0144 84 GLU B CD 3801 O OE1 . GLU B 84 ? 0.3575 0.3651 0.3858 0.0064 0.0046 0.0139 84 GLU B OE1 3802 O OE2 . GLU B 84 ? 0.4356 0.4422 0.4645 0.0064 0.0052 0.0151 84 GLU B OE2 3803 N N . ILE B 85 ? 0.2279 0.2363 0.2540 0.0067 0.0050 0.0120 85 ILE B N 3804 C CA . ILE B 85 ? 0.2927 0.3016 0.3187 0.0068 0.0050 0.0116 85 ILE B CA 3805 C C . ILE B 85 ? 0.2352 0.2445 0.2601 0.0063 0.0048 0.0111 85 ILE B C 3806 O O . ILE B 85 ? 0.2425 0.2517 0.2669 0.0062 0.0049 0.0110 85 ILE B O 3807 C CB . ILE B 85 ? 0.2774 0.2870 0.3044 0.0071 0.0046 0.0115 85 ILE B CB 3808 C CG1 . ILE B 85 ? 0.3028 0.3120 0.3309 0.0075 0.0046 0.0120 85 ILE B CG1 3809 C CG2 . ILE B 85 ? 0.2696 0.2798 0.2966 0.0072 0.0045 0.0111 85 ILE B CG2 3810 C CD1 . ILE B 85 ? 0.2936 0.3034 0.3227 0.0077 0.0041 0.0120 85 ILE B CD1 3811 N N . GLU B 86 ? 0.2898 0.2997 0.3148 0.0060 0.0046 0.0110 86 GLU B N 3812 C CA . GLU B 86 ? 0.3335 0.3439 0.3577 0.0056 0.0045 0.0107 86 GLU B CA 3813 C C . GLU B 86 ? 0.3311 0.3407 0.3543 0.0053 0.0047 0.0108 86 GLU B C 3814 O O . GLU B 86 ? 0.3208 0.3305 0.3435 0.0050 0.0046 0.0107 86 GLU B O 3815 C CB . GLU B 86 ? 0.3374 0.3482 0.3616 0.0053 0.0042 0.0107 86 GLU B CB 3816 C CG . GLU B 86 ? 0.4617 0.4734 0.4855 0.0050 0.0042 0.0104 86 GLU B CG 3817 C CD . GLU B 86 ? 0.4236 0.4361 0.4478 0.0052 0.0040 0.0101 86 GLU B CD 3818 O OE1 . GLU B 86 ? 0.3906 0.4029 0.4153 0.0056 0.0039 0.0101 86 GLU B OE1 3819 O OE2 . GLU B 86 ? 0.5456 0.5589 0.5696 0.0051 0.0041 0.0100 86 GLU B OE2 3820 N N . ASP B 87 ? 0.2471 0.2558 0.2701 0.0052 0.0049 0.0112 87 ASP B N 3821 C CA . ASP B 87 ? 0.1832 0.1909 0.2052 0.0050 0.0051 0.0112 87 ASP B CA 3822 C C . ASP B 87 ? 0.2103 0.2171 0.2316 0.0051 0.0054 0.0112 87 ASP B C 3823 O O . ASP B 87 ? 0.2195 0.2257 0.2397 0.0048 0.0053 0.0111 87 ASP B O 3824 C CB . ASP B 87 ? 0.2493 0.2560 0.2713 0.0050 0.0054 0.0116 87 ASP B CB 3825 C CG . ASP B 87 ? 0.3076 0.3150 0.3299 0.0047 0.0051 0.0117 87 ASP B CG 3826 O OD1 . ASP B 87 ? 0.2832 0.2916 0.3054 0.0043 0.0048 0.0115 87 ASP B OD1 3827 O OD2 . ASP B 87 ? 0.2670 0.2740 0.2898 0.0048 0.0053 0.0121 87 ASP B OD2 3828 N N . ALA B 88 ? 0.2019 0.2086 0.2239 0.0057 0.0056 0.0113 88 ALA B N 3829 C CA . ALA B 88 ? 0.1785 0.1844 0.1998 0.0059 0.0058 0.0113 88 ALA B CA 3830 C C . ALA B 88 ? 0.2041 0.2107 0.2251 0.0056 0.0054 0.0110 88 ALA B C 3831 O O . ALA B 88 ? 0.2094 0.2152 0.2292 0.0054 0.0054 0.0109 88 ALA B O 3832 C CB . ALA B 88 ? 0.1971 0.2030 0.2195 0.0066 0.0061 0.0116 88 ALA B CB 3833 N N . ARG B 89 ? 0.2902 0.2983 0.3122 0.0055 0.0050 0.0108 89 ARG B N 3834 C CA . ARG B 89 ? 0.2759 0.2849 0.2979 0.0052 0.0047 0.0106 89 ARG B CA 3835 C C . ARG B 89 ? 0.2693 0.2782 0.2903 0.0046 0.0044 0.0107 89 ARG B C 3836 O O . ARG B 89 ? 0.2717 0.2803 0.2921 0.0042 0.0042 0.0107 89 ARG B O 3837 C CB . ARG B 89 ? 0.3212 0.3317 0.3445 0.0054 0.0045 0.0105 89 ARG B CB 3838 C CG . ARG B 89 ? 0.3354 0.3463 0.3597 0.0060 0.0046 0.0105 89 ARG B CG 3839 C CD . ARG B 89 ? 0.3763 0.3883 0.4015 0.0061 0.0044 0.0103 89 ARG B CD 3840 N NE . ARG B 89 ? 0.3741 0.3862 0.4003 0.0066 0.0044 0.0102 89 ARG B NE 3841 C CZ . ARG B 89 ? 0.4541 0.4667 0.4809 0.0068 0.0042 0.0101 89 ARG B CZ 3842 N NH1 . ARG B 89 ? 0.4047 0.4178 0.4312 0.0066 0.0041 0.0099 89 ARG B NH1 3843 N NH2 . ARG B 89 ? 0.4950 0.5076 0.5227 0.0073 0.0041 0.0101 89 ARG B NH2 3844 N N . ALA B 90 ? 0.1364 0.1453 0.1574 0.0043 0.0044 0.0107 90 ALA B N 3845 C CA . ALA B 90 ? 0.1415 0.1502 0.1616 0.0036 0.0042 0.0108 90 ALA B CA 3846 C C . ALA B 90 ? 0.1580 0.1649 0.1765 0.0034 0.0042 0.0108 90 ALA B C 3847 O O . ALA B 90 ? 0.1468 0.1536 0.1646 0.0028 0.0038 0.0109 90 ALA B O 3848 C CB . ALA B 90 ? 0.1378 0.1467 0.1580 0.0035 0.0042 0.0108 90 ALA B CB 3849 N N . GLU B 91 ? 0.1863 0.1919 0.2044 0.0038 0.0047 0.0108 91 GLU B N 3850 C CA . GLU B 91 ? 0.1813 0.1849 0.1977 0.0037 0.0049 0.0109 91 GLU B CA 3851 C C . GLU B 91 ? 0.2037 0.2068 0.2193 0.0036 0.0047 0.0108 91 GLU B C 3852 O O . GLU B 91 ? 0.2290 0.2308 0.2430 0.0031 0.0045 0.0108 91 GLU B O 3853 C CB . GLU B 91 ? 0.2053 0.2078 0.2218 0.0044 0.0056 0.0110 91 GLU B CB 3854 C CG . GLU B 91 ? 0.1924 0.1925 0.2070 0.0045 0.0061 0.0110 91 GLU B CG 3855 C CD . GLU B 91 ? 0.3450 0.3442 0.3600 0.0052 0.0070 0.0113 91 GLU B CD 3856 O OE1 . GLU B 91 ? 0.3612 0.3615 0.3778 0.0056 0.0071 0.0116 91 GLU B OE1 3857 O OE2 . GLU B 91 ? 0.2853 0.2824 0.2987 0.0054 0.0075 0.0114 91 GLU B OE2 3858 N N . ALA B 92 ? 0.1181 0.1223 0.1348 0.0040 0.0047 0.0108 92 ALA B N 3859 C CA . ALA B 92 ? 0.1286 0.1328 0.1449 0.0039 0.0045 0.0108 92 ALA B CA 3860 C C . ALA B 92 ? 0.1398 0.1448 0.1560 0.0031 0.0038 0.0109 92 ALA B C 3861 O O . ALA B 92 ? 0.1203 0.1243 0.1352 0.0026 0.0034 0.0110 92 ALA B O 3862 C CB . ALA B 92 ? 0.0773 0.0826 0.0951 0.0046 0.0047 0.0108 92 ALA B CB 3863 N N . LEU B 93 ? 0.1932 0.1999 0.2108 0.0030 0.0035 0.0109 93 LEU B N 3864 C CA . LEU B 93 ? 0.2109 0.2186 0.2288 0.0023 0.0029 0.0111 93 LEU B CA 3865 C C . LEU B 93 ? 0.2682 0.2747 0.2846 0.0016 0.0025 0.0113 93 LEU B C 3866 O O . LEU B 93 ? 0.2648 0.2711 0.2805 0.0009 0.0019 0.0115 93 LEU B O 3867 C CB . LEU B 93 ? 0.1899 0.1996 0.2095 0.0025 0.0030 0.0112 93 LEU B CB 3868 C CG . LEU B 93 ? 0.3081 0.3193 0.3286 0.0021 0.0025 0.0115 93 LEU B CG 3869 C CD1 . LEU B 93 ? 0.3054 0.3169 0.3261 0.0020 0.0023 0.0117 93 LEU B CD1 3870 C CD2 . LEU B 93 ? 0.2840 0.2969 0.3060 0.0025 0.0029 0.0114 93 LEU B CD2 3871 N N . VAL B 94 ? 0.2201 0.2256 0.2358 0.0017 0.0029 0.0111 94 VAL B N 3872 C CA . VAL B 94 ? 0.2127 0.2168 0.2270 0.0010 0.0025 0.0112 94 VAL B CA 3873 C C . VAL B 94 ? 0.2405 0.2424 0.2527 0.0008 0.0024 0.0112 94 VAL B C 3874 O O . VAL B 94 ? 0.2801 0.2812 0.2911 0.0000 0.0017 0.0113 94 VAL B O 3875 C CB . VAL B 94 ? 0.2603 0.2637 0.2744 0.0012 0.0030 0.0111 94 VAL B CB 3876 C CG1 . VAL B 94 ? 0.2955 0.2967 0.3077 0.0008 0.0029 0.0111 94 VAL B CG1 3877 C CG2 . VAL B 94 ? 0.2627 0.2680 0.2783 0.0011 0.0028 0.0113 94 VAL B CG2 3878 N N . GLY B 95 ? 0.2588 0.2600 0.2707 0.0014 0.0030 0.0110 95 GLY B N 3879 C CA . GLY B 95 ? 0.2677 0.2668 0.2775 0.0013 0.0030 0.0109 95 GLY B CA 3880 C C . GLY B 95 ? 0.2785 0.2781 0.2882 0.0007 0.0022 0.0111 95 GLY B C 3881 O O . GLY B 95 ? 0.2799 0.2779 0.2876 0.0000 0.0017 0.0112 95 GLY B O 3882 N N . GLU B 96 ? 0.2627 0.2646 0.2744 0.0009 0.0021 0.0113 96 GLU B N 3883 C CA . GLU B 96 ? 0.3066 0.3093 0.3186 0.0003 0.0013 0.0116 96 GLU B CA 3884 C C . GLU B 96 ? 0.3068 0.3097 0.3185 -0.0007 0.0004 0.0120 96 GLU B C 3885 O O . GLU B 96 ? 0.2727 0.2747 0.2831 -0.0015 -0.0003 0.0123 96 GLU B O 3886 C CB . GLU B 96 ? 0.2834 0.2886 0.2978 0.0007 0.0014 0.0117 96 GLU B CB 3887 C CG . GLU B 96 ? 0.4067 0.4133 0.4220 0.0000 0.0006 0.0123 96 GLU B CG 3888 C CD . GLU B 96 ? 0.5578 0.5665 0.5754 0.0006 0.0008 0.0124 96 GLU B CD 3889 O OE1 . GLU B 96 ? 0.5595 0.5695 0.5780 0.0001 0.0003 0.0129 96 GLU B OE1 3890 O OE2 . GLU B 96 ? 0.5868 0.5957 0.6050 0.0014 0.0015 0.0120 96 GLU B OE2 3891 N N . LEU B 97 ? 0.2026 0.2065 0.2153 -0.0008 0.0005 0.0120 97 LEU B N 3892 C CA . LEU B 97 ? 0.2144 0.2185 0.2270 -0.0017 -0.0003 0.0125 97 LEU B CA 3893 C C . LEU B 97 ? 0.2909 0.2922 0.3008 -0.0024 -0.0007 0.0124 97 LEU B C 3894 O O . LEU B 97 ? 0.2864 0.2873 0.2957 -0.0033 -0.0017 0.0128 97 LEU B O 3895 C CB . LEU B 97 ? 0.2629 0.2683 0.2769 -0.0015 0.0000 0.0125 97 LEU B CB 3896 C CG . LEU B 97 ? 0.2763 0.2828 0.2911 -0.0023 -0.0007 0.0131 97 LEU B CG 3897 C CD1 . LEU B 97 ? 0.2448 0.2529 0.2609 -0.0027 -0.0012 0.0137 97 LEU B CD1 3898 C CD2 . LEU B 97 ? 0.2698 0.2776 0.2859 -0.0018 -0.0001 0.0131 97 LEU B CD2 3899 N N . GLY B 98 ? 0.2813 0.2807 0.2898 -0.0018 0.0000 0.0118 98 GLY B N 3900 C CA . GLY B 98 ? 0.2599 0.2563 0.2655 -0.0023 -0.0002 0.0117 98 GLY B CA 3901 C C . GLY B 98 ? 0.2580 0.2530 0.2618 -0.0029 -0.0010 0.0118 98 GLY B C 3902 O O . GLY B 98 ? 0.2584 0.2518 0.2605 -0.0039 -0.0018 0.0120 98 GLY B O 3903 N N . ILE B 99 ? 0.2712 0.2668 0.2755 -0.0025 -0.0007 0.0118 99 ILE B N 3904 C CA . ILE B 99 ? 0.2894 0.2840 0.2921 -0.0031 -0.0014 0.0120 99 ILE B CA 3905 C C . ILE B 99 ? 0.2553 0.2511 0.2588 -0.0042 -0.0027 0.0127 99 ILE B C 3906 O O . ILE B 99 ? 0.2567 0.2508 0.2583 -0.0052 -0.0037 0.0129 99 ILE B O 3907 C CB . ILE B 99 ? 0.2766 0.2720 0.2802 -0.0023 -0.0008 0.0119 99 ILE B CB 3908 C CG1 . ILE B 99 ? 0.3063 0.3001 0.3087 -0.0012 0.0004 0.0113 99 ILE B CG1 3909 C CG2 . ILE B 99 ? 0.2370 0.2317 0.2393 -0.0030 -0.0017 0.0122 99 ILE B CG2 3910 C CD1 . ILE B 99 ? 0.3595 0.3499 0.3586 -0.0015 0.0006 0.0110 99 ILE B CD1 3911 N N . ILE B 100 ? 0.1726 0.1714 0.1791 -0.0041 -0.0027 0.0131 100 ILE B N 3912 C CA . ILE B 100 ? 0.1950 0.1954 0.2029 -0.0050 -0.0038 0.0139 100 ILE B CA 3913 C C . ILE B 100 ? 0.2280 0.2271 0.2346 -0.0060 -0.0047 0.0142 100 ILE B C 3914 O O . ILE B 100 ? 0.1800 0.1785 0.1859 -0.0071 -0.0059 0.0148 100 ILE B O 3915 C CB . ILE B 100 ? 0.2089 0.2125 0.2201 -0.0045 -0.0034 0.0142 100 ILE B CB 3916 C CG1 . ILE B 100 ? 0.2513 0.2562 0.2638 -0.0037 -0.0029 0.0141 100 ILE B CG1 3917 C CG2 . ILE B 100 ? 0.1735 0.1787 0.1862 -0.0054 -0.0043 0.0152 100 ILE B CG2 3918 C CD1 . ILE B 100 ? 0.2028 0.2103 0.2181 -0.0029 -0.0021 0.0141 100 ILE B CD1 3919 N N . ARG B 101 ? 0.2592 0.2579 0.2657 -0.0057 -0.0041 0.0138 101 ARG B N 3920 C CA . ARG B 101 ? 0.2456 0.2427 0.2507 -0.0065 -0.0048 0.0140 101 ARG B CA 3921 C C . ARG B 101 ? 0.2724 0.2663 0.2742 -0.0074 -0.0056 0.0139 101 ARG B C 3922 O O . ARG B 101 ? 0.2748 0.2682 0.2760 -0.0086 -0.0069 0.0145 101 ARG B O 3923 C CB . ARG B 101 ? 0.2733 0.2699 0.2783 -0.0059 -0.0039 0.0134 101 ARG B CB 3924 C CG . ARG B 101 ? 0.3381 0.3330 0.3417 -0.0067 -0.0046 0.0136 101 ARG B CG 3925 C CD . ARG B 101 ? 0.3768 0.3695 0.3787 -0.0061 -0.0037 0.0128 101 ARG B CD 3926 N NE . ARG B 101 ? 0.5731 0.5630 0.5725 -0.0069 -0.0043 0.0128 101 ARG B NE 3927 C CZ . ARG B 101 ? 0.5310 0.5210 0.5307 -0.0078 -0.0051 0.0132 101 ARG B CZ 3928 N NH1 . ARG B 101 ? 0.4398 0.4327 0.4423 -0.0078 -0.0053 0.0138 101 ARG B NH1 3929 N NH2 . ARG B 101 ? 0.5152 0.5022 0.5123 -0.0085 -0.0057 0.0131 101 ARG B NH2 3930 N N . SER B 102 ? 0.2667 0.2585 0.2665 -0.0067 -0.0048 0.0131 102 SER B N 3931 C CA . SER B 102 ? 0.2854 0.2738 0.2817 -0.0074 -0.0054 0.0129 102 SER B CA 3932 C C . SER B 102 ? 0.2572 0.2459 0.2532 -0.0084 -0.0067 0.0136 102 SER B C 3933 O O . SER B 102 ? 0.2704 0.2569 0.2640 -0.0095 -0.0078 0.0138 102 SER B O 3934 C CB . SER B 102 ? 0.2511 0.2375 0.2455 -0.0063 -0.0041 0.0121 102 SER B CB 3935 O OG . SER B 102 ? 0.2773 0.2633 0.2718 -0.0055 -0.0031 0.0116 102 SER B OG 3936 N N . LEU B 103 ? 0.1643 0.1557 0.1627 -0.0080 -0.0066 0.0139 103 LEU B N 3937 C CA . LEU B 103 ? 0.1815 0.1734 0.1801 -0.0090 -0.0078 0.0147 103 LEU B CA 3938 C C . LEU B 103 ? 0.2356 0.2288 0.2356 -0.0102 -0.0091 0.0157 103 LEU B C 3939 O O . LEU B 103 ? 0.2251 0.2170 0.2237 -0.0115 -0.0105 0.0163 103 LEU B O 3940 C CB . LEU B 103 ? 0.2060 0.2006 0.2072 -0.0082 -0.0072 0.0149 103 LEU B CB 3941 C CG . LEU B 103 ? 0.2017 0.1950 0.2015 -0.0072 -0.0061 0.0141 103 LEU B CG 3942 C CD1 . LEU B 103 ? 0.1256 0.1216 0.1280 -0.0065 -0.0057 0.0144 103 LEU B CD1 3943 C CD2 . LEU B 103 ? 0.1765 0.1664 0.1724 -0.0079 -0.0068 0.0139 103 LEU B CD2 3944 N N . ILE B 104 ? 0.1961 0.1915 0.1987 -0.0098 -0.0087 0.0159 104 ILE B N 3945 C CA . ILE B 104 ? 0.2737 0.2706 0.2780 -0.0109 -0.0099 0.0170 104 ILE B CA 3946 C C . ILE B 104 ? 0.2283 0.2223 0.2299 -0.0120 -0.0110 0.0171 104 ILE B C 3947 O O . ILE B 104 ? 0.2530 0.2470 0.2546 -0.0133 -0.0125 0.0180 104 ILE B O 3948 C CB . ILE B 104 ? 0.2147 0.2144 0.2221 -0.0102 -0.0091 0.0172 104 ILE B CB 3949 C CG1 . ILE B 104 ? 0.2209 0.2235 0.2310 -0.0093 -0.0083 0.0174 104 ILE B CG1 3950 C CG2 . ILE B 104 ? 0.1526 0.1534 0.1613 -0.0112 -0.0102 0.0183 104 ILE B CG2 3951 C CD1 . ILE B 104 ? 0.1783 0.1835 0.1912 -0.0085 -0.0074 0.0175 104 ILE B CD1 3952 N N . VAL B 105 ? 0.2250 0.2168 0.2246 -0.0115 -0.0102 0.0161 105 VAL B N 3953 C CA . VAL B 105 ? 0.2511 0.2400 0.2480 -0.0125 -0.0111 0.0160 105 VAL B CA 3954 C C . VAL B 105 ? 0.2494 0.2355 0.2432 -0.0136 -0.0124 0.0162 105 VAL B C 3955 O O . VAL B 105 ? 0.2570 0.2419 0.2499 -0.0150 -0.0139 0.0169 105 VAL B O 3956 C CB . VAL B 105 ? 0.2504 0.2371 0.2454 -0.0116 -0.0099 0.0149 105 VAL B CB 3957 C CG1 . VAL B 105 ? 0.2777 0.2605 0.2690 -0.0125 -0.0107 0.0147 105 VAL B CG1 3958 C CG2 . VAL B 105 ? 0.3295 0.3185 0.3272 -0.0110 -0.0091 0.0150 105 VAL B CG2 3959 N N . ALA B 106 ? 0.2119 0.1969 0.2042 -0.0130 -0.0118 0.0156 106 ALA B N 3960 C CA . ALA B 106 ? 0.2184 0.2009 0.2077 -0.0140 -0.0129 0.0157 106 ALA B CA 3961 C C . ALA B 106 ? 0.2461 0.2306 0.2373 -0.0152 -0.0145 0.0171 106 ALA B C 3962 O O . ALA B 106 ? 0.2336 0.2160 0.2227 -0.0166 -0.0161 0.0176 106 ALA B O 3963 C CB . ALA B 106 ? 0.2543 0.2356 0.2420 -0.0130 -0.0118 0.0149 106 ALA B CB 3964 N N . ASN B 107 ? 0.2422 0.2305 0.2373 -0.0146 -0.0140 0.0176 107 ASN B N 3965 C CA . ASN B 107 ? 0.2457 0.2362 0.2431 -0.0156 -0.0153 0.0190 107 ASN B CA 3966 C C . ASN B 107 ? 0.2762 0.2668 0.2742 -0.0169 -0.0168 0.0201 107 ASN B C 3967 O O . ASN B 107 ? 0.2341 0.2244 0.2319 -0.0183 -0.0184 0.0211 107 ASN B O 3968 C CB . ASN B 107 ? 0.2492 0.2437 0.2506 -0.0146 -0.0142 0.0193 107 ASN B CB 3969 C CG . ASN B 107 ? 0.2742 0.2708 0.2778 -0.0154 -0.0154 0.0207 107 ASN B CG 3970 O OD1 . ASN B 107 ? 0.2724 0.2673 0.2741 -0.0165 -0.0166 0.0212 107 ASN B OD1 3971 N ND2 . ASN B 107 ? 0.2501 0.2503 0.2577 -0.0150 -0.0150 0.0215 107 ASN B ND2 3972 N N . ILE B 108 ? 0.2901 0.2811 0.2889 -0.0165 -0.0162 0.0198 108 ILE B N 3973 C CA . ILE B 108 ? 0.3164 0.3073 0.3156 -0.0178 -0.0175 0.0207 108 ILE B CA 3974 C C . ILE B 108 ? 0.3583 0.3450 0.3533 -0.0190 -0.0189 0.0205 108 ILE B C 3975 O O . ILE B 108 ? 0.3329 0.3190 0.3277 -0.0206 -0.0207 0.0216 108 ILE B O 3976 C CB . ILE B 108 ? 0.3509 0.3430 0.3518 -0.0170 -0.0165 0.0204 108 ILE B CB 3977 C CG1 . ILE B 108 ? 0.2857 0.2820 0.2907 -0.0159 -0.0154 0.0209 108 ILE B CG1 3978 C CG2 . ILE B 108 ? 0.2799 0.2714 0.2807 -0.0183 -0.0180 0.0213 108 ILE B CG2 3979 C CD1 . ILE B 108 ? 0.3232 0.3205 0.3294 -0.0148 -0.0141 0.0202 108 ILE B CD1 3980 N N . SER B 109 ? 0.2786 0.2622 0.2704 -0.0184 -0.0180 0.0191 109 SER B N 3981 C CA . SER B 109 ? 0.3130 0.2922 0.3003 -0.0193 -0.0190 0.0186 109 SER B CA 3982 C C . SER B 109 ? 0.3320 0.3098 0.3176 -0.0207 -0.0207 0.0194 109 SER B C 3983 O O . SER B 109 ? 0.2945 0.2703 0.2784 -0.0223 -0.0225 0.0200 109 SER B O 3984 C CB . SER B 109 ? 0.2885 0.2648 0.2726 -0.0181 -0.0174 0.0170 109 SER B CB 3985 O OG . SER B 109 ? 0.2881 0.2598 0.2677 -0.0190 -0.0182 0.0165 109 SER B OG 3986 N N . MET B 110 ? 0.3277 0.3066 0.3138 -0.0202 -0.0201 0.0193 110 MET B N 3987 C CA . MET B 110 ? 0.3160 0.2936 0.3003 -0.0214 -0.0216 0.0199 110 MET B CA 3988 C C . MET B 110 ? 0.3332 0.3131 0.3202 -0.0228 -0.0235 0.0217 110 MET B C 3989 O O . MET B 110 ? 0.3337 0.3115 0.3187 -0.0244 -0.0254 0.0224 110 MET B O 3990 C CB . MET B 110 ? 0.3445 0.3229 0.3289 -0.0203 -0.0204 0.0193 110 MET B CB 3991 C CG . MET B 110 ? 0.3824 0.3596 0.3650 -0.0214 -0.0218 0.0200 110 MET B CG 3992 S SD . MET B 110 ? 0.5628 0.5449 0.5506 -0.0219 -0.0227 0.0218 110 MET B SD 3993 C CE . MET B 110 ? 0.6062 0.5862 0.5913 -0.0233 -0.0243 0.0224 110 MET B CE 3994 N N . ASN B 111 ? 0.3059 0.2901 0.2977 -0.0222 -0.0229 0.0225 111 ASN B N 3995 C CA . ASN B 111 ? 0.3268 0.3136 0.3218 -0.0234 -0.0244 0.0244 111 ASN B CA 3996 C C . ASN B 111 ? 0.3612 0.3471 0.3560 -0.0247 -0.0259 0.0252 111 ASN B C 3997 O O . ASN B 111 ? 0.3510 0.3374 0.3468 -0.0262 -0.0278 0.0268 111 ASN B O 3998 C CB . ASN B 111 ? 0.2695 0.2610 0.2693 -0.0222 -0.0231 0.0249 111 ASN B CB 3999 C CG . ASN B 111 ? 0.3185 0.3115 0.3194 -0.0217 -0.0227 0.0250 111 ASN B CG 4000 O OD1 . ASN B 111 ? 0.3459 0.3393 0.3473 -0.0229 -0.0241 0.0263 111 ASN B OD1 4001 N ND2 . ASN B 111 ? 0.2609 0.2545 0.2619 -0.0201 -0.0207 0.0238 111 ASN B ND2 4002 N N . LEU B 112 ? 0.3225 0.3070 0.3161 -0.0241 -0.0251 0.0242 112 LEU B N 4003 C CA . LEU B 112 ? 0.3472 0.3304 0.3403 -0.0253 -0.0265 0.0249 112 LEU B CA 4004 C C . LEU B 112 ? 0.3705 0.3492 0.3590 -0.0269 -0.0283 0.0247 112 LEU B C 4005 O O . LEU B 112 ? 0.3597 0.3378 0.3482 -0.0286 -0.0304 0.0261 112 LEU B O 4006 C CB . LEU B 112 ? 0.2768 0.2598 0.2699 -0.0243 -0.0251 0.0238 112 LEU B CB 4007 C CG . LEU B 112 ? 0.3295 0.3110 0.3219 -0.0254 -0.0264 0.0244 112 LEU B CG 4008 C CD1 . LEU B 112 ? 0.3556 0.3404 0.3520 -0.0265 -0.0278 0.0264 112 LEU B CD1 4009 C CD2 . LEU B 112 ? 0.3163 0.2978 0.3089 -0.0242 -0.0249 0.0233 112 LEU B CD2 4010 N N . LYS B 113 ? 0.3514 0.3268 0.3358 -0.0264 -0.0275 0.0232 113 LYS B N 4011 C CA . LYS B 113 ? 0.3259 0.2966 0.3054 -0.0277 -0.0290 0.0229 113 LYS B CA 4012 C C . LYS B 113 ? 0.3394 0.3106 0.3193 -0.0292 -0.0310 0.0244 113 LYS B C 4013 O O . LYS B 113 ? 0.3252 0.2939 0.3028 -0.0310 -0.0332 0.0251 113 LYS B O 4014 C CB . LYS B 113 ? 0.2927 0.2604 0.2683 -0.0265 -0.0274 0.0210 113 LYS B CB 4015 C CG . LYS B 113 ? 0.3660 0.3298 0.3370 -0.0275 -0.0286 0.0208 113 LYS B CG 4016 C CD . LYS B 113 ? 0.4365 0.3970 0.4035 -0.0262 -0.0268 0.0189 113 LYS B CD 4017 C CE . LYS B 113 ? 0.5175 0.4760 0.4815 -0.0265 -0.0271 0.0187 113 LYS B CE 4018 N NZ . LYS B 113 ? 0.5220 0.4845 0.4895 -0.0256 -0.0262 0.0191 113 LYS B NZ 4019 N N . GLU B 114 ? 0.3358 0.3105 0.3188 -0.0286 -0.0304 0.0249 114 GLU B N 4020 C CA . GLU B 114 ? 0.3171 0.2928 0.3011 -0.0300 -0.0322 0.0265 114 GLU B CA 4021 C C . GLU B 114 ? 0.3355 0.3134 0.3228 -0.0314 -0.0340 0.0285 114 GLU B C 4022 O O . GLU B 114 ? 0.3369 0.3139 0.3236 -0.0332 -0.0362 0.0298 114 GLU B O 4023 C CB . GLU B 114 ? 0.3045 0.2835 0.2913 -0.0288 -0.0309 0.0266 114 GLU B CB 4024 C CG . GLU B 114 ? 0.3632 0.3398 0.3465 -0.0279 -0.0298 0.0251 114 GLU B CG 4025 C CD . GLU B 114 ? 0.4554 0.4288 0.4349 -0.0295 -0.0316 0.0254 114 GLU B CD 4026 O OE1 . GLU B 114 ? 0.5161 0.4906 0.4971 -0.0311 -0.0336 0.0272 114 GLU B OE1 4027 O OE2 . GLU B 114 ? 0.4628 0.4325 0.4378 -0.0292 -0.0311 0.0240 114 GLU B OE2 4028 N N . SER B 115 ? 0.3115 0.2924 0.3024 -0.0305 -0.0330 0.0288 115 SER B N 4029 C CA . SER B 115 ? 0.3351 0.3182 0.3294 -0.0317 -0.0344 0.0307 115 SER B CA 4030 C C . SER B 115 ? 0.3571 0.3363 0.3480 -0.0333 -0.0363 0.0308 115 SER B C 4031 O O . SER B 115 ? 0.3573 0.3369 0.3495 -0.0350 -0.0385 0.0326 115 SER B O 4032 C CB . SER B 115 ? 0.2980 0.2848 0.2964 -0.0302 -0.0327 0.0308 115 SER B CB 4033 O OG . SER B 115 ? 0.3603 0.3507 0.3620 -0.0288 -0.0311 0.0308 115 SER B OG 4034 N N . LEU B 116 ? 0.2705 0.2460 0.2572 -0.0328 -0.0356 0.0289 116 LEU B N 4035 C CA . LEU B 116 ? 0.3227 0.2940 0.3057 -0.0342 -0.0373 0.0288 116 LEU B CA 4036 C C . LEU B 116 ? 0.3476 0.3154 0.3267 -0.0360 -0.0394 0.0292 116 LEU B C 4037 O O . LEU B 116 ? 0.4098 0.3753 0.3874 -0.0378 -0.0417 0.0301 116 LEU B O 4038 C CB . LEU B 116 ? 0.3303 0.2986 0.3100 -0.0330 -0.0357 0.0267 116 LEU B CB 4039 C CG . LEU B 116 ? 0.4188 0.3898 0.4018 -0.0318 -0.0341 0.0265 116 LEU B CG 4040 C CD1 . LEU B 116 ? 0.3005 0.2691 0.2807 -0.0302 -0.0320 0.0244 116 LEU B CD1 4041 C CD2 . LEU B 116 ? 0.3132 0.2843 0.2975 -0.0332 -0.0359 0.0279 116 LEU B CD2 4042 N N . TYR B 117 ? 0.3888 0.3562 0.3665 -0.0354 -0.0387 0.0285 117 TYR B N 4043 C CA . TYR B 117 ? 0.4623 0.4266 0.4365 -0.0371 -0.0407 0.0290 117 TYR B CA 4044 C C . TYR B 117 ? 0.4330 0.4002 0.4108 -0.0387 -0.0429 0.0315 117 TYR B C 4045 O O . TYR B 117 ? 0.4758 0.4404 0.4512 -0.0407 -0.0454 0.0324 117 TYR B O 4046 C CB . TYR B 117 ? 0.4371 0.4008 0.4093 -0.0360 -0.0393 0.0278 117 TYR B CB 4047 C CG . TYR B 117 ? 0.4720 0.4320 0.4397 -0.0347 -0.0375 0.0255 117 TYR B CG 4048 C CD1 . TYR B 117 ? 0.4342 0.3915 0.3996 -0.0345 -0.0371 0.0245 117 TYR B CD1 4049 C CD2 . TYR B 117 ? 0.4859 0.4450 0.4516 -0.0336 -0.0361 0.0244 117 TYR B CD2 4050 C CE1 . TYR B 117 ? 0.4987 0.4526 0.4602 -0.0332 -0.0354 0.0225 117 TYR B CE1 4051 C CE2 . TYR B 117 ? 0.5287 0.4844 0.4903 -0.0324 -0.0344 0.0224 117 TYR B CE2 4052 C CZ . TYR B 117 ? 0.5493 0.5025 0.5089 -0.0321 -0.0340 0.0215 117 TYR B CZ 4053 O OH . TYR B 117 ? 0.5497 0.4996 0.5056 -0.0308 -0.0322 0.0196 117 TYR B OH 4054 N N . GLU B 118 ? 0.3540 0.3264 0.3376 -0.0379 -0.0419 0.0326 118 GLU B N 4055 C CA . GLU B 118 ? 0.3873 0.3629 0.3750 -0.0392 -0.0437 0.0351 118 GLU B CA 4056 C C . GLU B 118 ? 0.3922 0.3673 0.3807 -0.0408 -0.0457 0.0365 118 GLU B C 4057 O O . GLU B 118 ? 0.3883 0.3633 0.3774 -0.0427 -0.0482 0.0384 118 GLU B O 4058 C CB . GLU B 118 ? 0.3445 0.3257 0.3380 -0.0377 -0.0420 0.0359 118 GLU B CB 4059 C CG . GLU B 118 ? 0.3888 0.3711 0.3823 -0.0366 -0.0406 0.0351 118 GLU B CG 4060 C CD . GLU B 118 ? 0.3910 0.3775 0.3887 -0.0344 -0.0380 0.0347 118 GLU B CD 4061 O OE1 . GLU B 118 ? 0.3594 0.3486 0.3605 -0.0339 -0.0373 0.0353 118 GLU B OE1 4062 O OE2 . GLU B 118 ? 0.3853 0.3724 0.3827 -0.0332 -0.0365 0.0337 118 GLU B OE2 4063 N N . LEU B 119 ? 0.4165 0.3911 0.4048 -0.0399 -0.0447 0.0355 119 LEU B N 4064 C CA . LEU B 119 ? 0.4074 0.3812 0.3962 -0.0413 -0.0464 0.0366 119 LEU B CA 4065 C C . LEU B 119 ? 0.4560 0.4244 0.4394 -0.0434 -0.0490 0.0366 119 LEU B C 4066 O O . LEU B 119 ? 0.4098 0.3781 0.3940 -0.0454 -0.0516 0.0385 119 LEU B O 4067 C CB . LEU B 119 ? 0.4227 0.3966 0.4117 -0.0399 -0.0446 0.0353 119 LEU B CB 4068 C CG . LEU B 119 ? 0.5197 0.4931 0.5096 -0.0411 -0.0462 0.0364 119 LEU B CG 4069 C CD1 . LEU B 119 ? 0.5583 0.5366 0.5542 -0.0416 -0.0469 0.0390 119 LEU B CD1 4070 C CD2 . LEU B 119 ? 0.5107 0.4833 0.4997 -0.0397 -0.0444 0.0347 119 LEU B CD2 4071 N N . ALA B 120 ? 0.3532 0.3173 0.3311 -0.0429 -0.0482 0.0344 120 ALA B N 4072 C CA . ALA B 120 ? 0.3711 0.3295 0.3432 -0.0447 -0.0504 0.0340 120 ALA B CA 4073 C C . ALA B 120 ? 0.3903 0.3484 0.3620 -0.0465 -0.0527 0.0356 120 ALA B C 4074 O O . ALA B 120 ? 0.3755 0.3307 0.3449 -0.0487 -0.0554 0.0366 120 ALA B O 4075 C CB . ALA B 120 ? 0.2963 0.2504 0.2628 -0.0435 -0.0487 0.0314 120 ALA B CB 4076 N N . ASN B 121 ? 0.4400 0.4012 0.4140 -0.0456 -0.0516 0.0358 121 ASN B N 4077 C CA . ASN B 121 ? 0.4506 0.4117 0.4243 -0.0472 -0.0536 0.0373 121 ASN B CA 4078 C C . ASN B 121 ? 0.4881 0.4519 0.4661 -0.0491 -0.0561 0.0402 121 ASN B C 4079 O O . ASN B 121 ? 0.5033 0.4651 0.4796 -0.0512 -0.0588 0.0416 121 ASN B O 4080 C CB . ASN B 121 ? 0.4614 0.4256 0.4373 -0.0457 -0.0517 0.0370 121 ASN B CB 4081 C CG . ASN B 121 ? 0.5162 0.4803 0.4917 -0.0473 -0.0537 0.0385 121 ASN B CG 4082 O OD1 . ASN B 121 ? 0.5299 0.4981 0.5103 -0.0478 -0.0544 0.0406 121 ASN B OD1 4083 N ND2 . ASN B 121 ? 0.4335 0.3927 0.4030 -0.0481 -0.0545 0.0373 121 ASN B ND2 4084 N N . GLN B 122 ? 0.4665 0.4347 0.4499 -0.0483 -0.0552 0.0413 122 GLN B N 4085 C CA . GLN B 122 ? 0.4659 0.4369 0.4538 -0.0499 -0.0573 0.0441 122 GLN B CA 4086 C C . GLN B 122 ? 0.5491 0.5160 0.5339 -0.0519 -0.0600 0.0446 122 GLN B C 4087 O O . GLN B 122 ? 0.5232 0.4900 0.5088 -0.0541 -0.0628 0.0469 122 GLN B O 4088 C CB . GLN B 122 ? 0.4351 0.4115 0.4293 -0.0483 -0.0555 0.0449 122 GLN B CB 4089 C CG . GLN B 122 ? 0.5765 0.5574 0.5748 -0.0468 -0.0536 0.0454 122 GLN B CG 4090 C CD . GLN B 122 ? 0.6847 0.6698 0.6874 -0.0446 -0.0509 0.0450 122 GLN B CD 4091 O OE1 . GLN B 122 ? 0.8042 0.7917 0.8105 -0.0448 -0.0512 0.0464 122 GLN B OE1 4092 N NE2 . GLN B 122 ? 0.5658 0.5516 0.5679 -0.0426 -0.0483 0.0430 122 GLN B NE2 4093 N N . ILE B 123 ? 0.3923 0.3560 0.3736 -0.0513 -0.0591 0.0426 123 ILE B N 4094 C CA . ILE B 123 ? 0.4031 0.3625 0.3808 -0.0530 -0.0613 0.0427 123 ILE B CA 4095 C C . ILE B 123 ? 0.4980 0.4524 0.4701 -0.0551 -0.0638 0.0427 123 ILE B C 4096 O O . ILE B 123 ? 0.5405 0.4930 0.5118 -0.0574 -0.0668 0.0443 123 ILE B O 4097 C CB . ILE B 123 ? 0.4159 0.3727 0.3908 -0.0517 -0.0595 0.0404 123 ILE B CB 4098 C CG1 . ILE B 123 ? 0.4152 0.3767 0.3956 -0.0502 -0.0578 0.0409 123 ILE B CG1 4099 C CG2 . ILE B 123 ? 0.4403 0.3915 0.4101 -0.0535 -0.0618 0.0400 123 ILE B CG2 4100 C CD1 . ILE B 123 ? 0.3757 0.3351 0.3538 -0.0488 -0.0559 0.0387 123 ILE B CD1 4101 N N . THR B 124 ? 0.5123 0.4645 0.4806 -0.0542 -0.0625 0.0409 124 THR B N 4102 C CA . THR B 124 ? 0.5053 0.4527 0.4680 -0.0560 -0.0647 0.0407 124 THR B CA 4103 C C . THR B 124 ? 0.5419 0.4915 0.5077 -0.0581 -0.0675 0.0436 124 THR B C 4104 O O . THR B 124 ? 0.6317 0.5777 0.5944 -0.0605 -0.0705 0.0446 124 THR B O 4105 C CB . THR B 124 ? 0.4921 0.4380 0.4514 -0.0545 -0.0626 0.0387 124 THR B CB 4106 O OG1 . THR B 124 ? 0.4997 0.4428 0.4554 -0.0527 -0.0603 0.0360 124 THR B OG1 4107 C CG2 . THR B 124 ? 0.4986 0.4401 0.4527 -0.0564 -0.0649 0.0388 124 THR B CG2 4108 N N . LYS B 125 ? 0.6114 0.5668 0.5832 -0.0572 -0.0664 0.0451 125 LYS B N 4109 C CA . LYS B 125 ? 0.6310 0.5888 0.6061 -0.0590 -0.0687 0.0478 125 LYS B CA 4110 C C . LYS B 125 ? 0.6989 0.6585 0.6779 -0.0607 -0.0711 0.0505 125 LYS B C 4111 O O . LYS B 125 ? 0.7074 0.6691 0.6894 -0.0624 -0.0733 0.0532 125 LYS B O 4112 C CB . LYS B 125 ? 0.5843 0.5475 0.5644 -0.0573 -0.0666 0.0484 125 LYS B CB 4113 C CG . LYS B 125 ? 0.6514 0.6130 0.6279 -0.0562 -0.0650 0.0464 125 LYS B CG 4114 C CD . LYS B 125 ? 0.7542 0.7212 0.7360 -0.0545 -0.0630 0.0470 125 LYS B CD 4115 C CE . LYS B 125 ? 0.9295 0.9002 0.9163 -0.0561 -0.0650 0.0502 125 LYS B CE 4116 N NZ . LYS B 125 ? 0.9458 0.9209 0.9367 -0.0548 -0.0633 0.0507 125 LYS B NZ 4117 N N . ARG B 126 ? 0.8742 0.8332 0.8534 -0.0604 -0.0707 0.0500 126 ARG B N 4118 C CA . ARG B 126 ? 0.8778 0.8383 0.8605 -0.0620 -0.0731 0.0526 126 ARG B CA 4119 C C . ARG B 126 ? 0.9418 0.8964 0.9191 -0.0645 -0.0762 0.0527 126 ARG B C 4120 O O . ARG B 126 ? 0.9712 0.9263 0.9507 -0.0665 -0.0789 0.0551 126 ARG B O 4121 C CB . ARG B 126 ? 0.8422 0.8061 0.8291 -0.0603 -0.0710 0.0524 126 ARG B CB 4122 C CG . ARG B 126 ? 0.9443 0.9146 0.9390 -0.0602 -0.0709 0.0553 126 ARG B CG 4123 C CD . ARG B 126 ? 0.9269 0.8998 0.9252 -0.0591 -0.0697 0.0556 126 ARG B CD 4124 N NE . ARG B 126 ? 0.9968 0.9673 0.9916 -0.0573 -0.0674 0.0525 126 ARG B NE 4125 C CZ . ARG B 126 ? 1.1178 1.0873 1.1123 -0.0572 -0.0672 0.0519 126 ARG B CZ 4126 N NH1 . ARG B 126 ? 1.0491 1.0197 1.0465 -0.0587 -0.0693 0.0543 126 ARG B NH1 4127 N NH2 . ARG B 126 ? 1.0584 1.0257 1.0496 -0.0555 -0.0650 0.0491 126 ARG B NH2 4128 N N . GLY B 127 ? 0.8482 0.7972 0.8185 -0.0643 -0.0759 0.0500 127 GLY B N 4129 C CA . GLY B 127 ? 0.9029 0.8457 0.8672 -0.0667 -0.0789 0.0499 127 GLY B CA 4130 C C . GLY B 127 ? 0.9765 0.9158 0.9355 -0.0672 -0.0793 0.0488 127 GLY B C 4131 O O . GLY B 127 ? 1.0683 1.0027 1.0210 -0.0666 -0.0783 0.0462 127 GLY B O 4132 N N . GLY B 128 ? 0.6315 0.5734 0.5932 -0.0683 -0.0807 0.0509 128 GLY B N 4133 C CA . GLY B 128 ? 0.5576 0.4973 0.5154 -0.0684 -0.0806 0.0500 128 GLY B CA 4134 C C . GLY B 128 ? 0.6114 0.5466 0.5646 -0.0713 -0.0843 0.0512 128 GLY B C 4135 O O . GLY B 128 ? 0.7222 0.6598 0.6790 -0.0732 -0.0868 0.0540 128 GLY B O 4136 N N . GLY B 129 ? 0.6629 0.5915 0.6082 -0.0718 -0.0847 0.0489 129 GLY B N 4137 C CA . GLY B 129 ? 0.5951 0.5212 0.5366 -0.0694 -0.0816 0.0457 129 GLY B CA 4138 C C . GLY B 129 ? 0.5823 0.5028 0.5186 -0.0702 -0.0825 0.0444 129 GLY B C 4139 O O . GLY B 129 ? 0.5558 0.4703 0.4849 -0.0702 -0.0823 0.0422 129 GLY B O 4140 N N . ILE B 130 ? 0.5606 0.4829 0.5006 -0.0708 -0.0836 0.0457 130 ILE B N 4141 C CA . ILE B 130 ? 0.6336 0.5512 0.5696 -0.0713 -0.0842 0.0445 130 ILE B CA 4142 C C . ILE B 130 ? 0.6825 0.5996 0.6171 -0.0684 -0.0803 0.0416 130 ILE B C 4143 O O . ILE B 130 ? 0.7262 0.6384 0.6559 -0.0683 -0.0801 0.0398 130 ILE B O 4144 C CB . ILE B 130 ? 0.6636 0.5839 0.6048 -0.0725 -0.0861 0.0469 130 ILE B CB 4145 C CG1 . ILE B 130 ? 0.6773 0.6007 0.6226 -0.0748 -0.0891 0.0503 130 ILE B CG1 4146 C CG2 . ILE B 130 ? 0.6774 0.5919 0.6136 -0.0739 -0.0879 0.0462 130 ILE B CG2 4147 C CD1 . ILE B 130 ? 0.6409 0.5683 0.5926 -0.0757 -0.0906 0.0530 130 ILE B CD1 4148 N N . ALA B 131 ? 0.8983 0.8206 0.8374 -0.0660 -0.0773 0.0412 131 ALA B N 4149 C CA . ALA B 131 ? 0.8170 0.7400 0.7560 -0.0632 -0.0736 0.0388 131 ALA B CA 4150 C C . ALA B 131 ? 0.7808 0.6978 0.7122 -0.0623 -0.0722 0.0359 131 ALA B C 4151 O O . ALA B 131 ? 0.9405 0.8535 0.8680 -0.0619 -0.0716 0.0343 131 ALA B O 4152 C CB . ALA B 131 ? 0.9038 0.8335 0.8492 -0.0611 -0.0710 0.0392 131 ALA B CB 4153 N N . GLN B 132 ? 0.6214 0.5380 0.5508 -0.0620 -0.0717 0.0355 132 GLN B N 4154 C CA . GLN B 132 ? 0.6376 0.5492 0.5602 -0.0609 -0.0700 0.0328 132 GLN B CA 4155 C C . GLN B 132 ? 0.6295 0.5424 0.5531 -0.0580 -0.0661 0.0307 132 GLN B C 4156 O O . GLN B 132 ? 0.6254 0.5363 0.5477 -0.0574 -0.0654 0.0297 132 GLN B O 4157 C CB . GLN B 132 ? 0.6038 0.5077 0.5187 -0.0628 -0.0722 0.0320 132 GLN B CB 4158 C CG . GLN B 132 ? 0.7159 0.6141 0.6237 -0.0613 -0.0700 0.0291 132 GLN B CG 4159 C CD . GLN B 132 ? 0.7525 0.6485 0.6561 -0.0612 -0.0696 0.0283 132 GLN B CD 4160 O OE1 . GLN B 132 ? 0.7437 0.6442 0.6511 -0.0607 -0.0691 0.0293 132 GLN B OE1 4161 N NE2 . GLN B 132 ? 0.8085 0.6975 0.7041 -0.0615 -0.0697 0.0265 132 GLN B NE2 4162 N N . GLU B 133 ? 0.7326 0.6489 0.6583 -0.0560 -0.0636 0.0301 133 GLU B N 4163 C CA . GLU B 133 ? 0.6813 0.5994 0.6086 -0.0532 -0.0600 0.0283 133 GLU B CA 4164 C C . GLU B 133 ? 0.6279 0.5400 0.5482 -0.0522 -0.0584 0.0257 133 GLU B C 4165 O O . GLU B 133 ? 0.6836 0.5907 0.5978 -0.0532 -0.0595 0.0251 133 GLU B O 4166 C CB . GLU B 133 ? 0.6428 0.5661 0.5743 -0.0516 -0.0579 0.0285 133 GLU B CB 4167 C CG . GLU B 133 ? 0.6824 0.6125 0.6218 -0.0517 -0.0584 0.0307 133 GLU B CG 4168 C CD . GLU B 133 ? 0.7268 0.6617 0.6702 -0.0500 -0.0563 0.0308 133 GLU B CD 4169 O OE1 . GLU B 133 ? 0.7295 0.6625 0.6696 -0.0496 -0.0556 0.0298 133 GLU B OE1 4170 O OE2 . GLU B 133 ? 0.7047 0.6453 0.6546 -0.0491 -0.0554 0.0318 133 GLU B OE2 4171 N N . ALA B 134 ? 0.5993 0.5120 0.5206 -0.0502 -0.0558 0.0243 134 ALA B N 4172 C CA . ALA B 134 ? 0.6538 0.5615 0.5694 -0.0488 -0.0538 0.0219 134 ALA B CA 4173 C C . ALA B 134 ? 0.6576 0.5689 0.5765 -0.0460 -0.0502 0.0207 134 ALA B C 4174 O O . ALA B 134 ? 0.6425 0.5532 0.5615 -0.0447 -0.0486 0.0196 134 ALA B O 4175 C CB . ALA B 134 ? 0.6219 0.5251 0.5342 -0.0497 -0.0549 0.0214 134 ALA B CB 4176 N N . GLY B 135 ? 0.5111 0.4261 0.4327 -0.0449 -0.0489 0.0209 135 GLY B N 4177 C CA . GLY B 135 ? 0.5141 0.4336 0.4400 -0.0424 -0.0458 0.0202 135 GLY B CA 4178 C C . GLY B 135 ? 0.4813 0.4070 0.4146 -0.0425 -0.0462 0.0219 135 GLY B C 4179 O O . GLY B 135 ? 0.4750 0.4009 0.4096 -0.0442 -0.0485 0.0233 135 GLY B O 4180 N N . PRO B 136 ? 0.4748 0.4055 0.4129 -0.0406 -0.0439 0.0218 136 PRO B N 4181 C CA . PRO B 136 ? 0.4912 0.4279 0.4363 -0.0405 -0.0440 0.0234 136 PRO B CA 4182 C C . PRO B 136 ? 0.4930 0.4299 0.4397 -0.0408 -0.0445 0.0237 136 PRO B C 4183 O O . PRO B 136 ? 0.4599 0.3945 0.4044 -0.0397 -0.0430 0.0222 136 PRO B O 4184 C CB . PRO B 136 ? 0.4844 0.4251 0.4329 -0.0380 -0.0410 0.0225 136 PRO B CB 4185 C CG . PRO B 136 ? 0.4446 0.3811 0.3880 -0.0367 -0.0391 0.0204 136 PRO B CG 4186 C CD . PRO B 136 ? 0.4175 0.3484 0.3547 -0.0384 -0.0410 0.0202 136 PRO B CD 4187 N N . GLY B 137 ? 0.4562 0.3957 0.4066 -0.0423 -0.0466 0.0257 137 GLY B N 4188 C CA . GLY B 137 ? 0.4259 0.3660 0.3782 -0.0427 -0.0472 0.0262 137 GLY B CA 4189 C C . GLY B 137 ? 0.4569 0.3911 0.4039 -0.0442 -0.0489 0.0257 137 GLY B C 4190 O O . GLY B 137 ? 0.5015 0.4354 0.4493 -0.0441 -0.0488 0.0255 137 GLY B O 4191 N N . CYS B 138 ? 0.4389 0.3684 0.3804 -0.0454 -0.0504 0.0253 138 CYS B N 4192 C CA . CYS B 138 ? 0.4522 0.3757 0.3883 -0.0471 -0.0523 0.0249 138 CYS B CA 4193 C C . CYS B 138 ? 0.5121 0.4333 0.4459 -0.0496 -0.0556 0.0263 138 CYS B C 4194 O O . CYS B 138 ? 0.5096 0.4319 0.4434 -0.0498 -0.0558 0.0268 138 CYS B O 4195 C CB . CYS B 138 ? 0.4508 0.3691 0.3809 -0.0458 -0.0504 0.0224 138 CYS B CB 4196 S SG . CYS B 138 ? 0.5336 0.4521 0.4649 -0.0437 -0.0477 0.0210 138 CYS B SG 4197 N N . TRP B 139 ? 0.5423 0.4604 0.4741 -0.0516 -0.0582 0.0271 139 TRP B N 4198 C CA . TRP B 139 ? 0.5598 0.4758 0.4895 -0.0543 -0.0616 0.0286 139 TRP B CA 4199 C C . TRP B 139 ? 0.6012 0.5104 0.5247 -0.0560 -0.0638 0.0281 139 TRP B C 4200 O O . TRP B 139 ? 0.5699 0.4777 0.4932 -0.0559 -0.0636 0.0276 139 TRP B O 4201 C CB . TRP B 139 ? 0.5199 0.4412 0.4562 -0.0555 -0.0635 0.0314 139 TRP B CB 4202 C CG . TRP B 139 ? 0.5236 0.4514 0.4659 -0.0541 -0.0618 0.0322 139 TRP B CG 4203 C CD1 . TRP B 139 ? 0.5072 0.4370 0.4507 -0.0546 -0.0624 0.0332 139 TRP B CD1 4204 C CD2 . TRP B 139 ? 0.5020 0.4350 0.4498 -0.0519 -0.0591 0.0320 139 TRP B CD2 4205 N NE1 . TRP B 139 ? 0.4661 0.4019 0.4155 -0.0528 -0.0603 0.0336 139 TRP B NE1 4206 C CE2 . TRP B 139 ? 0.4784 0.4162 0.4304 -0.0512 -0.0582 0.0329 139 TRP B CE2 4207 C CE3 . TRP B 139 ? 0.4641 0.3980 0.4136 -0.0506 -0.0574 0.0311 139 TRP B CE3 4208 C CZ2 . TRP B 139 ? 0.3521 0.2955 0.3098 -0.0491 -0.0557 0.0329 139 TRP B CZ2 4209 C CZ3 . TRP B 139 ? 0.4638 0.4033 0.4188 -0.0486 -0.0550 0.0312 139 TRP B CZ3 4210 C CH2 . TRP B 139 ? 0.4144 0.3585 0.3734 -0.0479 -0.0542 0.0321 139 TRP B CH2 4211 N N . TYR B 140 ? 0.5928 0.4975 0.5111 -0.0578 -0.0658 0.0281 140 TYR B N 4212 C CA . TYR B 140 ? 0.6670 0.5656 0.5800 -0.0599 -0.0686 0.0282 140 TYR B CA 4213 C C . TYR B 140 ? 0.6360 0.5364 0.5520 -0.0626 -0.0723 0.0310 140 TYR B C 4214 O O . TYR B 140 ? 0.7059 0.6053 0.6203 -0.0642 -0.0743 0.0320 140 TYR B O 4215 C CB . TYR B 140 ? 0.6773 0.5690 0.5819 -0.0604 -0.0688 0.0265 140 TYR B CB 4216 C CG . TYR B 140 ? 0.6493 0.5380 0.5501 -0.0580 -0.0655 0.0238 140 TYR B CG 4217 C CD1 . TYR B 140 ? 0.6796 0.5655 0.5786 -0.0574 -0.0647 0.0226 140 TYR B CD1 4218 C CD2 . TYR B 140 ? 0.6291 0.5177 0.5279 -0.0563 -0.0631 0.0224 140 TYR B CD2 4219 C CE1 . TYR B 140 ? 0.6168 0.5001 0.5126 -0.0552 -0.0615 0.0202 140 TYR B CE1 4220 C CE2 . TYR B 140 ? 0.5953 0.4813 0.4908 -0.0541 -0.0600 0.0201 140 TYR B CE2 4221 C CZ . TYR B 140 ? 0.6195 0.5029 0.5136 -0.0535 -0.0592 0.0190 140 TYR B CZ 4222 O OH . TYR B 140 ? 0.6232 0.5040 0.5142 -0.0513 -0.0561 0.0168 140 TYR B OH 4223 N N . VAL B 141 ? 0.9779 0.8812 0.8986 -0.0631 -0.0731 0.0323 141 VAL B N 4224 C CA . VAL B 141 ? 0.9605 0.8645 0.8834 -0.0658 -0.0768 0.0350 141 VAL B CA 4225 C C . VAL B 141 ? 1.0982 0.9952 1.0148 -0.0679 -0.0795 0.0346 141 VAL B C 4226 O O . VAL B 141 ? 1.0998 0.9948 1.0154 -0.0673 -0.0787 0.0335 141 VAL B O 4227 C CB . VAL B 141 ? 0.9392 0.8499 0.8703 -0.0655 -0.0767 0.0370 141 VAL B CB 4228 C CG1 . VAL B 141 ? 1.0090 0.9203 0.9413 -0.0636 -0.0743 0.0356 141 VAL B CG1 4229 C CG2 . VAL B 141 ? 1.0582 0.9687 0.9909 -0.0683 -0.0806 0.0397 141 VAL B CG2 4230 N N . ASP B 142 ? 0.9350 0.8280 0.8473 -0.0703 -0.0825 0.0354 142 ASP B N 4231 C CA . ASP B 142 ? 0.9947 0.8806 0.9005 -0.0724 -0.0853 0.0350 142 ASP B CA 4232 C C . ASP B 142 ? 1.0511 0.9385 0.9608 -0.0745 -0.0883 0.0375 142 ASP B C 4233 O O . ASP B 142 ? 1.0145 0.9051 0.9282 -0.0762 -0.0907 0.0402 142 ASP B O 4234 C CB . ASP B 142 ? 1.0783 0.9594 0.9781 -0.0742 -0.0874 0.0350 142 ASP B CB 4235 C CG . ASP B 142 ? 1.1305 1.0082 1.0246 -0.0723 -0.0845 0.0323 142 ASP B CG 4236 O OD1 . ASP B 142 ? 1.0675 0.9455 0.9617 -0.0698 -0.0812 0.0303 142 ASP B OD1 4237 O OD2 . ASP B 142 ? 1.1832 1.0584 1.0734 -0.0731 -0.0854 0.0322 142 ASP B OD2 4238 N N . SER B 143 ? 1.1243 1.0095 1.0331 -0.0742 -0.0880 0.0367 143 SER B N 4239 C CA . SER B 143 ? 1.0868 0.9736 0.9995 -0.0759 -0.0905 0.0388 143 SER B CA 4240 C C . SER B 143 ? 1.1824 1.0645 1.0913 -0.0793 -0.0950 0.0404 143 SER B C 4241 O O . SER B 143 ? 1.1921 1.0702 1.0985 -0.0806 -0.0969 0.0404 143 SER B O 4242 C CB . SER B 143 ? 1.0543 0.9391 0.9660 -0.0747 -0.0889 0.0372 143 SER B CB 4243 O OG . SER B 143 ? 1.0511 0.9407 0.9670 -0.0716 -0.0849 0.0361 143 SER B OG 4244 N N . GLU B 144 ? 1.4883 1.3708 1.3968 -0.0807 -0.0968 0.0417 144 GLU B N 4245 C CA . GLU B 144 ? 1.4722 1.3500 1.3766 -0.0840 -0.1011 0.0432 144 GLU B CA 4246 C C . GLU B 144 ? 1.4836 1.3676 1.3950 -0.0854 -0.1032 0.0466 144 GLU B C 4247 O O . GLU B 144 ? 1.4296 1.3149 1.3444 -0.0875 -0.1062 0.0492 144 GLU B O 4248 C CB . GLU B 144 ? 1.4382 1.3095 1.3340 -0.0844 -0.1013 0.0412 144 GLU B CB 4249 C CG . GLU B 144 ? 1.4965 1.3672 1.3897 -0.0812 -0.0968 0.0380 144 GLU B CG 4250 C CD . GLU B 144 ? 1.5637 1.4318 1.4519 -0.0812 -0.0965 0.0370 144 GLU B CD 4251 O OE1 . GLU B 144 ? 1.5715 1.4427 1.4625 -0.0825 -0.0982 0.0391 144 GLU B OE1 4252 O OE2 . GLU B 144 ? 1.5335 1.3970 1.4156 -0.0797 -0.0942 0.0343 144 GLU B OE2 4253 N N . ASN B 145 ? 1.3662 1.2539 1.2797 -0.0842 -0.1014 0.0466 145 ASN B N 4254 C CA . ASN B 145 ? 1.3404 1.2343 1.2607 -0.0850 -0.1026 0.0496 145 ASN B CA 4255 C C . ASN B 145 ? 1.3065 1.2080 1.2357 -0.0834 -0.1008 0.0509 145 ASN B C 4256 O O . ASN B 145 ? 1.3212 1.2280 1.2570 -0.0842 -0.1020 0.0539 145 ASN B O 4257 C CB . ASN B 145 ? 1.3399 1.2352 1.2594 -0.0839 -0.1009 0.0488 145 ASN B CB 4258 C CG . ASN B 145 ? 1.3857 1.2734 1.2956 -0.0842 -0.1011 0.0463 145 ASN B CG 4259 O OD1 . ASN B 145 ? 1.3855 1.2666 1.2894 -0.0861 -0.1034 0.0458 145 ASN B OD1 4260 N ND2 . ASN B 145 ? 1.3647 1.2530 1.2731 -0.0823 -0.0983 0.0447 145 ASN B ND2 4261 N N . CYS B 146 ? 1.1635 1.0651 1.0927 -0.0810 -0.0977 0.0488 146 CYS B N 4262 C CA . CYS B 146 ? 1.1689 1.0773 1.1057 -0.0790 -0.0952 0.0494 146 CYS B CA 4263 C C . CYS B 146 ? 1.1644 1.0713 1.1012 -0.0788 -0.0951 0.0489 146 CYS B C 4264 O O . CYS B 146 ? 1.1289 1.0319 1.0611 -0.0775 -0.0932 0.0461 146 CYS B O 4265 C CB . CYS B 146 ? 1.0710 0.9824 1.0088 -0.0759 -0.0909 0.0473 146 CYS B CB 4266 S SG . CYS B 146 ? 1.0698 0.9901 1.0172 -0.0733 -0.0879 0.0483 146 CYS B SG 4267 N N . ASP B 147 ? 1.2400 1.1502 1.1822 -0.0801 -0.0972 0.0516 147 ASP B N 4268 C CA . ASP B 147 ? 1.2404 1.1494 1.1830 -0.0802 -0.0975 0.0515 147 ASP B CA 4269 C C . ASP B 147 ? 1.2211 1.1346 1.1680 -0.0771 -0.0935 0.0502 147 ASP B C 4270 O O . ASP B 147 ? 1.3380 1.2503 1.2820 -0.0750 -0.0904 0.0474 147 ASP B O 4271 C CB . ASP B 147 ? 1.2839 1.1949 1.2310 -0.0827 -0.1011 0.0550 147 ASP B CB 4272 C CG . ASP B 147 ? 1.3290 1.2478 1.2846 -0.0824 -0.1009 0.0579 147 ASP B CG 4273 O OD1 . ASP B 147 ? 1.2933 1.2167 1.2522 -0.0800 -0.0976 0.0571 147 ASP B OD1 4274 O OD2 . ASP B 147 ? 1.3232 1.2437 1.2824 -0.0846 -0.1040 0.0611 147 ASP B OD2 4275 N N . ALA B 148 ? 0.8808 0.7996 0.8346 -0.0770 -0.0936 0.0523 148 ALA B N 4276 C CA . ALA B 148 ? 0.8450 0.7682 0.8031 -0.0743 -0.0900 0.0514 148 ALA B CA 4277 C C . ALA B 148 ? 0.8797 0.8108 0.8459 -0.0733 -0.0889 0.0536 148 ALA B C 4278 O O . ALA B 148 ? 0.8973 0.8322 0.8661 -0.0708 -0.0855 0.0525 148 ALA B O 4279 C CB . ALA B 148 ? 0.8404 0.7625 0.7991 -0.0747 -0.0907 0.0516 148 ALA B CB 4280 N N . SER B 149 ? 0.9370 0.8704 0.9071 -0.0754 -0.0918 0.0569 149 SER B N 4281 C CA . SER B 149 ? 0.9213 0.8619 0.8989 -0.0747 -0.0910 0.0593 149 SER B CA 4282 C C . SER B 149 ? 0.8676 0.8091 0.8441 -0.0738 -0.0896 0.0584 149 SER B C 4283 O O . SER B 149 ? 0.7996 0.7467 0.7813 -0.0722 -0.0874 0.0591 149 SER B O 4284 C CB . SER B 149 ? 0.9232 0.8656 0.9048 -0.0774 -0.0947 0.0631 149 SER B CB 4285 O OG . SER B 149 ? 1.0369 0.9843 1.0235 -0.0773 -0.0947 0.0653 149 SER B OG 4286 N N . CYS B 150 ? 0.7915 0.7272 0.7611 -0.0748 -0.0908 0.0568 150 CYS B N 4287 C CA . CYS B 150 ? 0.8253 0.7611 0.7930 -0.0741 -0.0895 0.0557 150 CYS B CA 4288 C C . CYS B 150 ? 0.7647 0.7018 0.7320 -0.0709 -0.0852 0.0529 150 CYS B C 4289 O O . CYS B 150 ? 0.6939 0.6360 0.6654 -0.0693 -0.0830 0.0532 150 CYS B O 4290 C CB . CYS B 150 ? 0.8189 0.7475 0.7787 -0.0760 -0.0919 0.0547 150 CYS B CB 4291 S SG . CYS B 150 ? 0.9670 0.8946 0.9231 -0.0750 -0.0903 0.0529 150 CYS B SG 4292 N N . LYS B 151 ? 0.7590 0.6917 0.7213 -0.0700 -0.0840 0.0502 151 LYS B N 4293 C CA . LYS B 151 ? 0.6975 0.6311 0.6592 -0.0671 -0.0800 0.0475 151 LYS B CA 4294 C C . LYS B 151 ? 0.6666 0.6070 0.6356 -0.0652 -0.0777 0.0484 151 LYS B C 4295 O O . LYS B 151 ? 0.6504 0.5938 0.6211 -0.0628 -0.0745 0.0471 151 LYS B O 4296 C CB . LYS B 151 ? 0.6824 0.6103 0.6382 -0.0666 -0.0793 0.0449 151 LYS B CB 4297 C CG . LYS B 151 ? 0.6862 0.6070 0.6339 -0.0679 -0.0808 0.0433 151 LYS B CG 4298 C CD . LYS B 151 ? 0.7843 0.6996 0.7266 -0.0672 -0.0798 0.0408 151 LYS B CD 4299 C CE . LYS B 151 ? 0.7882 0.6960 0.7221 -0.0686 -0.0814 0.0394 151 LYS B CE 4300 N NZ . LYS B 151 ? 0.8781 0.7813 0.8091 -0.0709 -0.0845 0.0401 151 LYS B NZ 4301 N N . GLU B 152 ? 0.6228 0.5657 0.5962 -0.0662 -0.0792 0.0506 152 GLU B N 4302 C CA . GLU B 152 ? 0.6324 0.5818 0.6129 -0.0646 -0.0773 0.0518 152 GLU B CA 4303 C C . GLU B 152 ? 0.6427 0.5972 0.6278 -0.0640 -0.0765 0.0533 152 GLU B C 4304 O O . GLU B 152 ? 0.6587 0.6175 0.6473 -0.0618 -0.0736 0.0528 152 GLU B O 4305 C CB . GLU B 152 ? 0.7010 0.6519 0.6853 -0.0661 -0.0794 0.0543 152 GLU B CB 4306 C CG . GLU B 152 ? 0.6745 0.6324 0.6665 -0.0647 -0.0778 0.0561 152 GLU B CG 4307 C CD . GLU B 152 ? 0.6789 0.6389 0.6718 -0.0618 -0.0740 0.0539 152 GLU B CD 4308 O OE1 . GLU B 152 ? 0.6408 0.5967 0.6291 -0.0612 -0.0731 0.0514 152 GLU B OE1 4309 O OE2 . GLU B 152 ? 0.6714 0.6370 0.6697 -0.0602 -0.0718 0.0546 152 GLU B OE2 4310 N N . TYR B 153 ? 0.6153 0.5690 0.5999 -0.0661 -0.0792 0.0551 153 TYR B N 4311 C CA . TYR B 153 ? 0.6299 0.5881 0.6186 -0.0657 -0.0787 0.0566 153 TYR B CA 4312 C C . TYR B 153 ? 0.6311 0.5888 0.6171 -0.0637 -0.0759 0.0540 153 TYR B C 4313 O O . TYR B 153 ? 0.6085 0.5709 0.5987 -0.0620 -0.0736 0.0542 153 TYR B O 4314 C CB . TYR B 153 ? 0.5958 0.5527 0.5841 -0.0685 -0.0823 0.0591 153 TYR B CB 4315 C CG . TYR B 153 ? 0.5554 0.5165 0.5475 -0.0682 -0.0818 0.0605 153 TYR B CG 4316 C CD1 . TYR B 153 ? 0.5867 0.5452 0.5747 -0.0685 -0.0820 0.0594 153 TYR B CD1 4317 C CD2 . TYR B 153 ? 0.5252 0.4928 0.5249 -0.0674 -0.0810 0.0629 153 TYR B CD2 4318 C CE1 . TYR B 153 ? 0.5147 0.4771 0.5062 -0.0682 -0.0816 0.0607 153 TYR B CE1 4319 C CE2 . TYR B 153 ? 0.5040 0.4754 0.5072 -0.0671 -0.0804 0.0642 153 TYR B CE2 4320 C CZ . TYR B 153 ? 0.5253 0.4940 0.5244 -0.0675 -0.0808 0.0631 153 TYR B CZ 4321 O OH . TYR B 153 ? 0.6626 0.6351 0.6652 -0.0671 -0.0802 0.0645 153 TYR B OH 4322 N N . ILE B 154 ? 0.5763 0.5282 0.5553 -0.0639 -0.0760 0.0515 154 ILE B N 4323 C CA . ILE B 154 ? 0.5472 0.4979 0.5230 -0.0623 -0.0737 0.0492 154 ILE B CA 4324 C C . ILE B 154 ? 0.5826 0.5353 0.5594 -0.0593 -0.0698 0.0469 154 ILE B C 4325 O O . ILE B 154 ? 0.5555 0.5112 0.5343 -0.0576 -0.0674 0.0463 154 ILE B O 4326 C CB . ILE B 154 ? 0.5357 0.4793 0.5033 -0.0635 -0.0750 0.0474 154 ILE B CB 4327 C CG1 . ILE B 154 ? 0.6135 0.5550 0.5798 -0.0665 -0.0789 0.0495 154 ILE B CG1 4328 C CG2 . ILE B 154 ? 0.5414 0.4840 0.5059 -0.0617 -0.0725 0.0450 154 ILE B CG2 4329 C CD1 . ILE B 154 ? 0.5423 0.4766 0.5003 -0.0678 -0.0805 0.0479 154 ILE B CD1 4330 N N . PHE B 155 ? 0.5436 0.4945 0.5192 -0.0589 -0.0693 0.0458 155 PHE B N 4331 C CA . PHE B 155 ? 0.5534 0.5052 0.5290 -0.0563 -0.0658 0.0435 155 PHE B CA 4332 C C . PHE B 155 ? 0.5457 0.5024 0.5272 -0.0551 -0.0645 0.0445 155 PHE B C 4333 O O . PHE B 155 ? 0.5071 0.4645 0.4887 -0.0531 -0.0619 0.0428 155 PHE B O 4334 C CB . PHE B 155 ? 0.4701 0.4156 0.4389 -0.0562 -0.0656 0.0410 155 PHE B CB 4335 C CG . PHE B 155 ? 0.5140 0.4542 0.4765 -0.0573 -0.0668 0.0400 155 PHE B CG 4336 C CD1 . PHE B 155 ? 0.4839 0.4236 0.4441 -0.0558 -0.0648 0.0382 155 PHE B CD1 4337 C CD2 . PHE B 155 ? 0.5209 0.4565 0.4796 -0.0599 -0.0702 0.0408 155 PHE B CD2 4338 C CE1 . PHE B 155 ? 0.5165 0.4512 0.4706 -0.0568 -0.0659 0.0373 155 PHE B CE1 4339 C CE2 . PHE B 155 ? 0.5315 0.4620 0.4840 -0.0609 -0.0714 0.0398 155 PHE B CE2 4340 C CZ . PHE B 155 ? 0.5523 0.4823 0.5025 -0.0594 -0.0692 0.0381 155 PHE B CZ 4341 N N . ASN B 156 ? 0.8516 0.8116 0.8378 -0.0564 -0.0663 0.0473 156 ASN B N 4342 C CA . ASN B 156 ? 0.8657 0.8302 0.8576 -0.0556 -0.0654 0.0486 156 ASN B CA 4343 C C . ASN B 156 ? 0.8524 0.8152 0.8429 -0.0548 -0.0643 0.0471 156 ASN B C 4344 O O . ASN B 156 ? 0.8176 0.7842 0.8120 -0.0531 -0.0622 0.0471 156 ASN B O 4345 C CB . ASN B 156 ? 0.8901 0.8603 0.8869 -0.0534 -0.0625 0.0487 156 ASN B CB 4346 C CG . ASN B 156 ? 0.9337 0.9094 0.9374 -0.0533 -0.0626 0.0514 156 ASN B CG 4347 O OD1 . ASN B 156 ? 0.9404 0.9160 0.9455 -0.0548 -0.0646 0.0531 156 ASN B OD1 4348 N ND2 . ASN B 156 ? 1.0193 0.9999 1.0273 -0.0516 -0.0604 0.0517 156 ASN B ND2 4349 N N . PHE B 157 ? 0.8931 0.8500 0.8779 -0.0559 -0.0657 0.0458 157 PHE B N 4350 C CA . PHE B 157 ? 0.9330 0.8875 0.9161 -0.0559 -0.0658 0.0449 157 PHE B CA 4351 C C . PHE B 157 ? 0.9568 0.9041 0.9326 -0.0570 -0.0671 0.0431 157 PHE B C 4352 O O . PHE B 157 ? 0.9219 0.8660 0.8940 -0.0583 -0.0687 0.0431 157 PHE B O 4353 C CB . PHE B 157 ? 0.9437 0.9006 0.9286 -0.0533 -0.0623 0.0433 157 PHE B CB 4354 C CG . PHE B 157 ? 1.0347 0.9966 1.0257 -0.0528 -0.0619 0.0451 157 PHE B CG 4355 C CD1 . PHE B 157 ? 1.0230 0.9876 1.0182 -0.0545 -0.0642 0.0481 157 PHE B CD1 4356 C CD2 . PHE B 157 ? 1.1122 1.0762 1.1050 -0.0508 -0.0592 0.0438 157 PHE B CD2 4357 C CE1 . PHE B 157 ? 1.0940 1.0632 1.0949 -0.0540 -0.0637 0.0498 157 PHE B CE1 4358 C CE2 . PHE B 157 ? 1.1553 1.1238 1.1535 -0.0503 -0.0587 0.0455 157 PHE B CE2 4359 C CZ . PHE B 157 ? 1.0677 1.0388 1.0700 -0.0519 -0.0610 0.0485 157 PHE B CZ 4360 N N . GLU C 1 ? 1.0875 0.9700 0.8950 0.0615 0.0962 -0.0041 3 GLU C N 4361 C CA . GLU C 1 ? 1.0526 0.9387 0.8652 0.0603 0.0943 -0.0043 3 GLU C CA 4362 C C . GLU C 1 ? 0.9983 0.8880 0.8120 0.0583 0.0918 -0.0038 3 GLU C C 4363 O O . GLU C 1 ? 0.8774 0.7702 0.6924 0.0584 0.0925 -0.0022 3 GLU C O 4364 C CB . GLU C 1 ? 1.0030 0.8944 0.8243 0.0620 0.0966 -0.0023 3 GLU C CB 4365 C CG . GLU C 1 ? 1.0278 0.9226 0.8540 0.0609 0.0946 -0.0026 3 GLU C CG 4366 C CD . GLU C 1 ? 1.0497 0.9467 0.8821 0.0622 0.0961 -0.0020 3 GLU C CD 4367 O OE1 . GLU C 1 ? 1.0263 0.9253 0.8624 0.0642 0.0991 -0.0002 3 GLU C OE1 4368 O OE2 . GLU C 1 ? 1.0943 0.9905 0.9273 0.0613 0.0944 -0.0033 3 GLU C OE2 4369 N N . LEU C 2 ? 1.2042 1.0928 1.0167 0.0564 0.0888 -0.0054 4 LEU C N 4370 C CA . LEU C 2 ? 1.1131 1.0055 0.9281 0.0543 0.0859 -0.0050 4 LEU C CA 4371 C C . LEU C 2 ? 1.0899 0.9892 0.9154 0.0540 0.0851 -0.0037 4 LEU C C 4372 O O . LEU C 2 ? 1.0917 0.9905 0.9194 0.0535 0.0837 -0.0047 4 LEU C O 4373 C CB . LEU C 2 ? 1.1084 0.9966 0.9182 0.0517 0.0818 -0.0073 4 LEU C CB 4374 C CG . LEU C 2 ? 1.0808 0.9730 0.8953 0.0487 0.0772 -0.0072 4 LEU C CG 4375 C CD1 . LEU C 2 ? 1.0777 0.9658 0.8852 0.0465 0.0743 -0.0085 4 LEU C CD1 4376 C CD2 . LEU C 2 ? 1.1017 0.9950 0.9209 0.0477 0.0750 -0.0081 4 LEU C CD2 4377 N N . ILE C 3 ? 0.8588 0.7644 0.6907 0.0543 0.0860 -0.0013 5 ILE C N 4378 C CA . ILE C 3 ? 0.8159 0.7280 0.6575 0.0539 0.0850 0.0001 5 ILE C CA 4379 C C . ILE C 3 ? 0.7484 0.6652 0.5942 0.0512 0.0813 0.0007 5 ILE C C 4380 O O . ILE C 3 ? 0.7011 0.6196 0.5463 0.0509 0.0815 0.0018 5 ILE C O 4381 C CB . ILE C 3 ? 0.7982 0.7145 0.6452 0.0563 0.0889 0.0025 5 ILE C CB 4382 C CG1 . ILE C 3 ? 0.8889 0.8003 0.7305 0.0591 0.0931 0.0021 5 ILE C CG1 4383 C CG2 . ILE C 3 ? 0.8840 0.8058 0.7402 0.0560 0.0881 0.0035 5 ILE C CG2 4384 C CD1 . ILE C 3 ? 0.8825 0.7982 0.7309 0.0612 0.0962 0.0046 5 ILE C CD1 4385 N N . CYS C 4 ? 0.8350 0.7539 0.6852 0.0494 0.0781 0.0000 6 CYS C N 4386 C CA . CYS C 4 ? 0.8112 0.7339 0.6649 0.0468 0.0745 0.0004 6 CYS C CA 4387 C C . CYS C 4 ? 0.7913 0.7201 0.6543 0.0461 0.0730 0.0015 6 CYS C C 4388 O O . CYS C 4 ? 0.7773 0.7062 0.6430 0.0468 0.0736 0.0011 6 CYS C O 4389 C CB . CYS C 4 ? 0.7875 0.7057 0.6356 0.0446 0.0709 -0.0018 6 CYS C CB 4390 S SG . CYS C 4 ? 0.8998 0.8112 0.7369 0.0446 0.0713 -0.0031 6 CYS C SG 4391 N N . ILE C 5 ? 0.7057 0.6395 0.5734 0.0446 0.0712 0.0028 7 ILE C N 4392 C CA . ILE C 5 ? 0.6145 0.5536 0.4902 0.0433 0.0689 0.0035 7 ILE C CA 4393 C C . ILE C 5 ? 0.5878 0.5246 0.4619 0.0411 0.0652 0.0016 7 ILE C C 4394 O O . ILE C 5 ? 0.6001 0.5342 0.4693 0.0396 0.0632 0.0006 7 ILE C O 4395 C CB . ILE C 5 ? 0.6164 0.5610 0.4969 0.0423 0.0681 0.0054 7 ILE C CB 4396 C CG1 . ILE C 5 ? 0.5768 0.5240 0.4595 0.0445 0.0717 0.0076 7 ILE C CG1 4397 C CG2 . ILE C 5 ? 0.4942 0.4437 0.3823 0.0407 0.0654 0.0059 7 ILE C CG2 4398 C CD1 . ILE C 5 ? 0.5676 0.5194 0.4535 0.0438 0.0712 0.0094 7 ILE C CD1 4399 N N . VAL C 6 ? 0.5737 0.5116 0.4518 0.0408 0.0642 0.0011 8 VAL C N 4400 C CA . VAL C 6 ? 0.5658 0.5017 0.4427 0.0388 0.0607 -0.0007 8 VAL C CA 4401 C C . VAL C 6 ? 0.5902 0.5314 0.4746 0.0370 0.0579 0.0001 8 VAL C C 4402 O O . VAL C 6 ? 0.5525 0.4979 0.4433 0.0377 0.0588 0.0012 8 VAL C O 4403 C CB . VAL C 6 ? 0.6075 0.5389 0.4815 0.0396 0.0613 -0.0023 8 VAL C CB 4404 C CG1 . VAL C 6 ? 0.6454 0.5788 0.5236 0.0419 0.0645 -0.0013 8 VAL C CG1 4405 C CG2 . VAL C 6 ? 0.5460 0.4770 0.4214 0.0376 0.0577 -0.0036 8 VAL C CG2 4406 N N . GLN C 7 ? 0.6241 0.5651 0.5075 0.0348 0.0546 -0.0006 9 GLN C N 4407 C CA . GLN C 7 ? 0.5746 0.5199 0.4642 0.0330 0.0518 -0.0001 9 GLN C CA 4408 C C . GLN C 7 ? 0.6199 0.5625 0.5085 0.0318 0.0493 -0.0018 9 GLN C C 4409 O O . GLN C 7 ? 0.5933 0.5312 0.4759 0.0310 0.0480 -0.0033 9 GLN C O 4410 C CB . GLN C 7 ? 0.5562 0.5035 0.4460 0.0313 0.0498 0.0006 9 GLN C CB 4411 C CG . GLN C 7 ? 0.6042 0.5534 0.4937 0.0324 0.0521 0.0022 9 GLN C CG 4412 C CD . GLN C 7 ? 0.5889 0.5387 0.4768 0.0307 0.0502 0.0025 9 GLN C CD 4413 O OE1 . GLN C 7 ? 0.5976 0.5515 0.4891 0.0306 0.0506 0.0042 9 GLN C OE1 4414 N NE2 . GLN C 7 ? 0.5247 0.4704 0.4073 0.0293 0.0480 0.0011 9 GLN C NE2 4415 N N . ARG C 8 ? 0.5797 0.5253 0.4741 0.0316 0.0486 -0.0016 10 ARG C N 4416 C CA . ARG C 8 ? 0.5858 0.5293 0.4798 0.0304 0.0461 -0.0031 10 ARG C CA 4417 C C . ARG C 8 ? 0.6002 0.5485 0.5015 0.0293 0.0442 -0.0024 10 ARG C C 4418 O O . ARG C 8 ? 0.5579 0.5106 0.4648 0.0301 0.0455 -0.0010 10 ARG C O 4419 C CB . ARG C 8 ? 0.6544 0.5938 0.5453 0.0319 0.0478 -0.0043 10 ARG C CB 4420 C CG . ARG C 8 ? 0.6211 0.5634 0.5172 0.0336 0.0501 -0.0034 10 ARG C CG 4421 C CD . ARG C 8 ? 0.7769 0.7146 0.6691 0.0352 0.0521 -0.0046 10 ARG C CD 4422 N NE . ARG C 8 ? 0.8607 0.8013 0.7581 0.0368 0.0544 -0.0036 10 ARG C NE 4423 C CZ . ARG C 8 ? 0.7847 0.7226 0.6802 0.0387 0.0568 -0.0041 10 ARG C CZ 4424 N NH1 . ARG C 8 ? 0.8875 0.8193 0.7758 0.0392 0.0574 -0.0057 10 ARG C NH1 4425 N NH2 . ARG C 8 ? 0.7696 0.7106 0.6704 0.0400 0.0587 -0.0030 10 ARG C NH2 4426 N N . VAL C 9 ? 0.6175 0.5649 0.5188 0.0275 0.0412 -0.0034 11 VAL C N 4427 C CA . VAL C 9 ? 0.6193 0.5710 0.5272 0.0264 0.0392 -0.0028 11 VAL C CA 4428 C C . VAL C 9 ? 0.6518 0.6019 0.5605 0.0261 0.0381 -0.0040 11 VAL C C 4429 O O . VAL C 9 ? 0.6200 0.5654 0.5239 0.0262 0.0378 -0.0054 11 VAL C O 4430 C CB . VAL C 9 ? 0.5511 0.5042 0.4595 0.0242 0.0363 -0.0025 11 VAL C CB 4431 C CG1 . VAL C 9 ? 0.5259 0.4814 0.4346 0.0245 0.0375 -0.0012 11 VAL C CG1 4432 C CG2 . VAL C 9 ? 0.5782 0.5264 0.4807 0.0230 0.0343 -0.0040 11 VAL C CG2 4433 N N . ASN C 10 ? 0.7438 0.6980 0.6589 0.0259 0.0375 -0.0032 12 ASN C N 4434 C CA . ASN C 10 ? 0.7296 0.6834 0.6469 0.0257 0.0364 -0.0040 12 ASN C CA 4435 C C . ASN C 10 ? 0.7230 0.6771 0.6414 0.0235 0.0330 -0.0045 12 ASN C C 4436 O O . ASN C 10 ? 0.6900 0.6451 0.6080 0.0222 0.0314 -0.0041 12 ASN C O 4437 C CB . ASN C 10 ? 0.6198 0.5779 0.5435 0.0266 0.0378 -0.0029 12 ASN C CB 4438 C CG . ASN C 10 ? 0.7666 0.7231 0.6892 0.0287 0.0408 -0.0030 12 ASN C CG 4439 O OD1 . ASN C 10 ? 0.8688 0.8205 0.7859 0.0293 0.0415 -0.0042 12 ASN C OD1 4440 N ND2 . ASN C 10 ? 0.6888 0.6489 0.6163 0.0298 0.0426 -0.0017 12 ASN C ND2 4441 N N . GLU C 11 ? 0.7135 0.6669 0.6334 0.0232 0.0319 -0.0052 13 GLU C N 4442 C CA . GLU C 11 ? 0.7352 0.6901 0.6580 0.0215 0.0289 -0.0053 13 GLU C CA 4443 C C . GLU C 11 ? 0.6298 0.5902 0.5585 0.0209 0.0285 -0.0038 13 GLU C C 4444 O O . GLU C 11 ? 0.6177 0.5797 0.5486 0.0193 0.0261 -0.0036 13 GLU C O 4445 C CB . GLU C 11 ? 0.7512 0.7052 0.6757 0.0217 0.0284 -0.0061 13 GLU C CB 4446 C CG . GLU C 11 ? 0.9204 0.8691 0.8394 0.0226 0.0293 -0.0075 13 GLU C CG 4447 C CD . GLU C 11 ? 1.0542 1.0017 0.9745 0.0223 0.0281 -0.0084 13 GLU C CD 4448 O OE1 . GLU C 11 ? 1.0734 1.0245 0.9994 0.0223 0.0278 -0.0077 13 GLU C OE1 4449 O OE2 . GLU C 11 ? 1.0561 0.9989 0.9717 0.0222 0.0275 -0.0097 13 GLU C OE2 4450 N N . SER C 12 ? 0.6199 0.5830 0.5512 0.0223 0.0309 -0.0028 14 SER C N 4451 C CA . SER C 12 ? 0.6187 0.5869 0.5557 0.0219 0.0308 -0.0013 14 SER C CA 4452 C C . SER C 12 ? 0.5771 0.5467 0.5134 0.0211 0.0303 -0.0005 14 SER C C 4453 O O . SER C 12 ? 0.5838 0.5573 0.5245 0.0206 0.0298 0.0007 14 SER C O 4454 C CB . SER C 12 ? 0.6393 0.6097 0.5793 0.0237 0.0335 -0.0004 14 SER C CB 4455 O OG . SER C 12 ? 0.7291 0.6990 0.6707 0.0243 0.0338 -0.0009 14 SER C OG 4456 N N . PHE C 13 ? 0.4710 0.4371 0.4017 0.0211 0.0304 -0.0011 15 PHE C N 4457 C CA . PHE C 13 ? 0.5300 0.4971 0.4596 0.0203 0.0299 -0.0004 15 PHE C CA 4458 C C . PHE C 13 ? 0.4884 0.4542 0.4164 0.0183 0.0269 -0.0009 15 PHE C C 4459 O O . PHE C 13 ? 0.5179 0.4800 0.4426 0.0178 0.0257 -0.0022 15 PHE C O 4460 C CB . PHE C 13 ? 0.4377 0.4020 0.3621 0.0215 0.0321 -0.0005 15 PHE C CB 4461 C CG . PHE C 13 ? 0.4179 0.3842 0.3442 0.0234 0.0351 0.0005 15 PHE C CG 4462 C CD1 . PHE C 13 ? 0.4769 0.4421 0.4033 0.0249 0.0370 0.0002 15 PHE C CD1 4463 C CD2 . PHE C 13 ? 0.3766 0.3460 0.3046 0.0236 0.0361 0.0020 15 PHE C CD2 4464 C CE1 . PHE C 13 ? 0.4365 0.4035 0.3648 0.0266 0.0399 0.0012 15 PHE C CE1 4465 C CE2 . PHE C 13 ? 0.4054 0.3766 0.3353 0.0253 0.0389 0.0031 15 PHE C CE2 4466 C CZ . PHE C 13 ? 0.4808 0.4508 0.4108 0.0268 0.0408 0.0028 15 PHE C CZ 4467 N N . SER C 14 ? 0.4557 0.4244 0.3862 0.0172 0.0257 0.0000 16 SER C N 4468 C CA . SER C 14 ? 0.5306 0.4982 0.4594 0.0154 0.0231 -0.0002 16 SER C CA 4469 C C . SER C 14 ? 0.4946 0.4624 0.4211 0.0150 0.0233 0.0005 16 SER C C 4470 O O . SER C 14 ? 0.5021 0.4721 0.4300 0.0160 0.0252 0.0015 16 SER C O 4471 C CB . SER C 14 ? 0.4821 0.4529 0.4162 0.0141 0.0210 0.0003 16 SER C CB 4472 O OG . SER C 14 ? 0.5585 0.5336 0.4971 0.0143 0.0217 0.0016 16 SER C OG 4473 N N . LEU C 15 ? 0.6407 0.6061 0.5638 0.0136 0.0213 0.0000 17 LEU C N 4474 C CA . LEU C 15 ? 0.5738 0.5387 0.4938 0.0133 0.0215 0.0006 17 LEU C CA 4475 C C . LEU C 15 ? 0.5754 0.5438 0.4990 0.0119 0.0199 0.0017 17 LEU C C 4476 O O . LEU C 15 ? 0.5646 0.5331 0.4895 0.0104 0.0174 0.0016 17 LEU C O 4477 C CB . LEU C 15 ? 0.5822 0.5420 0.4956 0.0126 0.0204 -0.0006 17 LEU C CB 4478 C CG . LEU C 15 ? 0.5752 0.5341 0.4849 0.0120 0.0201 -0.0001 17 LEU C CG 4479 C CD1 . LEU C 15 ? 0.5505 0.5092 0.4580 0.0137 0.0231 0.0003 17 LEU C CD1 4480 C CD2 . LEU C 15 ? 0.6449 0.5988 0.5487 0.0108 0.0183 -0.0012 17 LEU C CD2 4481 N N . HIS C 16 ? 0.4050 0.3762 0.3302 0.0124 0.0212 0.0029 18 HIS C N 4482 C CA . HIS C 16 ? 0.3699 0.3443 0.2983 0.0112 0.0199 0.0041 18 HIS C CA 4483 C C . HIS C 16 ? 0.3316 0.3045 0.2559 0.0104 0.0194 0.0044 18 HIS C C 4484 O O . HIS C 16 ? 0.3378 0.3097 0.2590 0.0115 0.0213 0.0045 18 HIS C O 4485 C CB . HIS C 16 ? 0.2999 0.2788 0.2334 0.0120 0.0214 0.0054 18 HIS C CB 4486 C CG . HIS C 16 ? 0.4094 0.3902 0.3474 0.0125 0.0217 0.0053 18 HIS C CG 4487 N ND1 . HIS C 16 ? 0.3915 0.3710 0.3288 0.0140 0.0234 0.0046 18 HIS C ND1 4488 C CD2 . HIS C 16 ? 0.3939 0.3777 0.3370 0.0118 0.0205 0.0058 18 HIS C CD2 4489 C CE1 . HIS C 16 ? 0.3202 0.3019 0.2620 0.0140 0.0232 0.0047 18 HIS C CE1 4490 N NE2 . HIS C 16 ? 0.3729 0.3572 0.3182 0.0128 0.0214 0.0054 18 HIS C NE2 4491 N N . SER C 17 ? 0.4120 0.3847 0.3363 0.0087 0.0169 0.0045 19 SER C N 4492 C CA . SER C 17 ? 0.4340 0.4052 0.3545 0.0078 0.0161 0.0048 19 SER C CA 4493 C C . SER C 17 ? 0.4046 0.3795 0.3279 0.0077 0.0168 0.0063 19 SER C C 4494 O O . SER C 17 ? 0.3891 0.3678 0.3179 0.0075 0.0164 0.0071 19 SER C O 4495 C CB . SER C 17 ? 0.3931 0.3627 0.3126 0.0058 0.0131 0.0044 19 SER C CB 4496 O OG . SER C 17 ? 0.5861 0.5591 0.5112 0.0049 0.0117 0.0052 19 SER C OG 4497 N N . GLY C 18 ? 0.3430 0.3168 0.2625 0.0080 0.0177 0.0066 20 GLY C N 4498 C CA . GLY C 18 ? 0.3815 0.3585 0.3031 0.0078 0.0182 0.0080 20 GLY C CA 4499 C C . GLY C 18 ? 0.4185 0.3936 0.3358 0.0067 0.0171 0.0083 20 GLY C C 4500 O O . GLY C 18 ? 0.3572 0.3282 0.2693 0.0063 0.0164 0.0072 20 GLY C O 4501 N N . PHE C 19 ? 0.3891 0.3672 0.3087 0.0062 0.0169 0.0096 21 PHE C N 4502 C CA . PHE C 19 ? 0.4410 0.4175 0.3567 0.0052 0.0161 0.0100 21 PHE C CA 4503 C C . PHE C 19 ? 0.4736 0.4495 0.3860 0.0066 0.0186 0.0104 21 PHE C C 4504 O O . PHE C 19 ? 0.5295 0.5087 0.4445 0.0070 0.0196 0.0117 21 PHE C O 4505 C CB . PHE C 19 ? 0.4801 0.4601 0.3999 0.0038 0.0144 0.0113 21 PHE C CB 4506 C CG . PHE C 19 ? 0.4098 0.3892 0.3308 0.0020 0.0115 0.0111 21 PHE C CG 4507 C CD1 . PHE C 19 ? 0.4044 0.3797 0.3204 0.0010 0.0099 0.0102 21 PHE C CD1 4508 C CD2 . PHE C 19 ? 0.4117 0.3945 0.3387 0.0013 0.0104 0.0118 21 PHE C CD2 4509 C CE1 . PHE C 19 ? 0.4135 0.3884 0.3308 -0.0007 0.0072 0.0101 21 PHE C CE1 4510 C CE2 . PHE C 19 ? 0.4295 0.4118 0.3576 -0.0003 0.0078 0.0116 21 PHE C CE2 4511 C CZ . PHE C 19 ? 0.3999 0.3783 0.3233 -0.0013 0.0062 0.0109 21 PHE C CZ 4512 N N . GLY C 20 ? 0.4232 0.3950 0.3298 0.0075 0.0197 0.0093 22 GLY C N 4513 C CA . GLY C 20 ? 0.4625 0.4333 0.3657 0.0090 0.0223 0.0095 22 GLY C CA 4514 C C . GLY C 20 ? 0.4656 0.4351 0.3679 0.0110 0.0248 0.0087 22 GLY C C 4515 O O . GLY C 20 ? 0.5420 0.5114 0.4426 0.0126 0.0274 0.0092 22 GLY C O 4516 N N . GLY C 21 ? 0.3473 0.3158 0.2508 0.0110 0.0240 0.0077 23 GLY C N 4517 C CA . GLY C 21 ? 0.3823 0.3495 0.2852 0.0128 0.0262 0.0069 23 GLY C CA 4518 C C . GLY C 21 ? 0.4013 0.3701 0.3091 0.0126 0.0254 0.0065 23 GLY C C 4519 O O . GLY C 21 ? 0.3733 0.3461 0.2868 0.0119 0.0244 0.0074 23 GLY C O 4520 N N . ASN C 22 ? 0.3815 0.3472 0.2869 0.0133 0.0258 0.0052 24 ASN C N 4521 C CA . ASN C 22 ? 0.3013 0.2681 0.2108 0.0133 0.0251 0.0047 24 ASN C CA 4522 C C . ASN C 22 ? 0.3399 0.3084 0.2522 0.0153 0.0278 0.0049 24 ASN C C 4523 O O . ASN C 22 ? 0.2660 0.2341 0.1762 0.0168 0.0304 0.0053 24 ASN C O 4524 C CB . ASN C 22 ? 0.3539 0.3163 0.2595 0.0127 0.0236 0.0031 24 ASN C CB 4525 C CG . ASN C 22 ? 0.3629 0.3240 0.2668 0.0105 0.0205 0.0029 24 ASN C CG 4526 O OD1 . ASN C 22 ? 0.2845 0.2487 0.1919 0.0094 0.0192 0.0040 24 ASN C OD1 4527 N ND2 . ASN C 22 ? 0.3796 0.3360 0.2782 0.0100 0.0194 0.0016 24 ASN C ND2 4528 N N . VAL C 23 ? 0.3082 0.2786 0.2251 0.0153 0.0273 0.0048 25 VAL C N 4529 C CA . VAL C 23 ? 0.3090 0.2812 0.2290 0.0170 0.0296 0.0051 25 VAL C CA 4530 C C . VAL C 23 ? 0.3520 0.3230 0.2731 0.0171 0.0290 0.0040 25 VAL C C 4531 O O . VAL C 23 ? 0.4081 0.3799 0.3316 0.0158 0.0267 0.0037 25 VAL C O 4532 C CB . VAL C 23 ? 0.3645 0.3422 0.2911 0.0170 0.0299 0.0067 25 VAL C CB 4533 C CG1 . VAL C 23 ? 0.3588 0.3384 0.2894 0.0183 0.0315 0.0070 25 VAL C CG1 4534 C CG2 . VAL C 23 ? 0.2947 0.2739 0.2207 0.0173 0.0311 0.0080 25 VAL C CG2 4535 N N . TYR C 24 ? 0.4259 0.3948 0.3451 0.0188 0.0312 0.0034 26 TYR C N 4536 C CA . TYR C 24 ? 0.4638 0.4324 0.3850 0.0192 0.0311 0.0026 26 TYR C CA 4537 C C . TYR C 24 ? 0.4311 0.4041 0.3585 0.0201 0.0325 0.0038 26 TYR C C 4538 O O . TYR C 24 ? 0.3924 0.3671 0.3207 0.0214 0.0347 0.0049 26 TYR C O 4539 C CB . TYR C 24 ? 0.4768 0.4407 0.3928 0.0205 0.0327 0.0014 26 TYR C CB 4540 C CG . TYR C 24 ? 0.5013 0.4605 0.4118 0.0195 0.0309 -0.0001 26 TYR C CG 4541 C CD1 . TYR C 24 ? 0.5572 0.5156 0.4688 0.0182 0.0284 -0.0010 26 TYR C CD1 4542 C CD2 . TYR C 24 ? 0.5506 0.5057 0.4545 0.0198 0.0317 -0.0007 26 TYR C CD2 4543 C CE1 . TYR C 24 ? 0.5960 0.5500 0.5026 0.0171 0.0266 -0.0022 26 TYR C CE1 4544 C CE2 . TYR C 24 ? 0.5988 0.5494 0.4975 0.0187 0.0298 -0.0020 26 TYR C CE2 4545 C CZ . TYR C 24 ? 0.6620 0.6121 0.5622 0.0174 0.0273 -0.0028 26 TYR C CZ 4546 O OH . TYR C 24 ? 0.7851 0.7307 0.6802 0.0163 0.0253 -0.0040 26 TYR C OH 4547 N N . SER C 25 ? 0.3784 0.3531 0.3100 0.0196 0.0312 0.0036 27 SER C N 4548 C CA . SER C 25 ? 0.4114 0.3900 0.3488 0.0204 0.0323 0.0047 27 SER C CA 4549 C C . SER C 25 ? 0.4289 0.4076 0.3689 0.0202 0.0314 0.0040 27 SER C C 4550 O O . SER C 25 ? 0.4226 0.3990 0.3609 0.0192 0.0295 0.0028 27 SER C O 4551 C CB . SER C 25 ? 0.3965 0.3795 0.3384 0.0195 0.0315 0.0061 27 SER C CB 4552 O OG . SER C 25 ? 0.3567 0.3406 0.3006 0.0178 0.0288 0.0059 27 SER C OG 4553 N N . MET C 26 ? 0.5172 0.4986 0.4615 0.0212 0.0328 0.0047 28 MET C N 4554 C CA . MET C 26 ? 0.5797 0.5615 0.5268 0.0212 0.0322 0.0042 28 MET C CA 4555 C C . MET C 26 ? 0.5421 0.5276 0.4945 0.0199 0.0303 0.0049 28 MET C C 4556 O O . MET C 26 ? 0.5938 0.5791 0.5478 0.0192 0.0288 0.0043 28 MET C O 4557 C CB . MET C 26 ? 0.5578 0.5402 0.5064 0.0230 0.0347 0.0047 28 MET C CB 4558 C CG . MET C 26 ? 0.4777 0.4562 0.4212 0.0244 0.0367 0.0039 28 MET C CG 4559 S SD . MET C 26 ? 0.5728 0.5522 0.5188 0.0264 0.0395 0.0045 28 MET C SD 4560 C CE . MET C 26 ? 0.6880 0.6727 0.6394 0.0267 0.0406 0.0068 28 MET C CE 4561 N N . LYS C 27 ? 0.4671 0.4557 0.4219 0.0196 0.0304 0.0062 29 LYS C N 4562 C CA . LYS C 27 ? 0.4970 0.4892 0.4568 0.0185 0.0289 0.0070 29 LYS C CA 4563 C C . LYS C 27 ? 0.4985 0.4914 0.4579 0.0172 0.0274 0.0074 29 LYS C C 4564 O O . LYS C 27 ? 0.4777 0.4691 0.4334 0.0172 0.0278 0.0074 29 LYS C O 4565 C CB . LYS C 27 ? 0.4942 0.4900 0.4585 0.0194 0.0305 0.0085 29 LYS C CB 4566 C CG . LYS C 27 ? 0.5099 0.5052 0.4750 0.0209 0.0322 0.0084 29 LYS C CG 4567 C CD . LYS C 27 ? 0.4454 0.4431 0.4126 0.0221 0.0346 0.0099 29 LYS C CD 4568 C CE . LYS C 27 ? 0.4531 0.4547 0.4262 0.0220 0.0344 0.0111 29 LYS C CE 4569 N NZ . LYS C 27 ? 0.4573 0.4608 0.4330 0.0203 0.0320 0.0113 29 LYS C NZ 4570 N N . THR C 28 ? 0.4381 0.4334 0.4012 0.0160 0.0256 0.0078 30 THR C N 4571 C CA . THR C 28 ? 0.4186 0.4153 0.3823 0.0147 0.0242 0.0084 30 THR C CA 4572 C C . THR C 28 ? 0.4941 0.4948 0.4631 0.0144 0.0240 0.0097 30 THR C C 4573 O O . THR C 28 ? 0.5025 0.5046 0.4747 0.0148 0.0242 0.0098 30 THR C O 4574 C CB . THR C 28 ? 0.4592 0.4542 0.4215 0.0132 0.0217 0.0075 30 THR C CB 4575 O OG1 . THR C 28 ? 0.5585 0.5535 0.5230 0.0130 0.0208 0.0069 30 THR C OG1 4576 C CG2 . THR C 28 ? 0.4551 0.4461 0.4118 0.0132 0.0216 0.0065 30 THR C CG2 4577 N N . GLU C 29 ? 0.6048 0.6073 0.5747 0.0137 0.0235 0.0106 31 GLU C N 4578 C CA . GLU C 29 ? 0.5808 0.5868 0.5555 0.0131 0.0229 0.0117 31 GLU C CA 4579 C C . GLU C 29 ? 0.5900 0.5964 0.5648 0.0117 0.0210 0.0118 31 GLU C C 4580 O O . GLU C 29 ? 0.6023 0.6079 0.5746 0.0114 0.0210 0.0120 31 GLU C O 4581 C CB . GLU C 29 ? 0.6295 0.6379 0.6061 0.0141 0.0247 0.0131 31 GLU C CB 4582 C CG . GLU C 29 ? 0.7324 0.7425 0.7124 0.0149 0.0257 0.0136 31 GLU C CG 4583 C CD . GLU C 29 ? 0.8868 0.8973 0.8665 0.0165 0.0281 0.0144 31 GLU C CD 4584 O OE1 . GLU C 29 ? 0.9038 0.9154 0.8832 0.0167 0.0290 0.0154 31 GLU C OE1 4585 O OE2 . GLU C 29 ? 0.8645 0.8743 0.8444 0.0174 0.0292 0.0140 31 GLU C OE2 4586 N N . PRO C 30 ? 0.5347 0.5422 0.5124 0.0107 0.0194 0.0117 32 PRO C N 4587 C CA . PRO C 30 ? 0.5592 0.5671 0.5374 0.0093 0.0175 0.0119 32 PRO C CA 4588 C C . PRO C 30 ? 0.4835 0.4936 0.4630 0.0090 0.0178 0.0132 32 PRO C C 4589 O O . PRO C 30 ? 0.4787 0.4909 0.4604 0.0097 0.0191 0.0141 32 PRO C O 4590 C CB . PRO C 30 ? 0.5725 0.5816 0.5543 0.0087 0.0163 0.0118 32 PRO C CB 4591 C CG . PRO C 30 ? 0.6248 0.6350 0.6087 0.0098 0.0177 0.0120 32 PRO C CG 4592 C CD . PRO C 30 ? 0.5736 0.5819 0.5542 0.0109 0.0193 0.0115 32 PRO C CD 4593 N N . MET C 31 ? 0.5160 0.5257 0.4942 0.0080 0.0167 0.0133 33 MET C N 4594 C CA . MET C 31 ? 0.5561 0.5677 0.5351 0.0077 0.0169 0.0145 33 MET C CA 4595 C C . MET C 31 ? 0.6065 0.6207 0.5898 0.0070 0.0159 0.0154 33 MET C C 4596 O O . MET C 31 ? 0.6229 0.6393 0.6081 0.0070 0.0164 0.0165 33 MET C O 4597 C CB . MET C 31 ? 0.4993 0.5091 0.4749 0.0070 0.0161 0.0144 33 MET C CB 4598 C CG . MET C 31 ? 0.5584 0.5654 0.5292 0.0078 0.0171 0.0136 33 MET C CG 4599 S SD . MET C 31 ? 0.5471 0.5524 0.5139 0.0069 0.0163 0.0137 33 MET C SD 4600 C CE . MET C 31 ? 0.5122 0.5160 0.4791 0.0054 0.0137 0.0130 33 MET C CE 4601 N N . THR C 32 ? 0.6585 0.6724 0.6433 0.0063 0.0146 0.0148 34 THR C N 4602 C CA . THR C 32 ? 0.6315 0.6475 0.6200 0.0055 0.0135 0.0154 34 THR C CA 4603 C C . THR C 32 ? 0.6014 0.6174 0.5919 0.0055 0.0130 0.0148 34 THR C C 4604 O O . THR C 32 ? 0.5530 0.5675 0.5421 0.0061 0.0135 0.0139 34 THR C O 4605 C CB . THR C 32 ? 0.5993 0.6151 0.5875 0.0042 0.0120 0.0156 34 THR C CB 4606 O OG1 . THR C 32 ? 0.5514 0.5694 0.5432 0.0036 0.0113 0.0164 34 THR C OG1 4607 C CG2 . THR C 32 ? 0.6261 0.6396 0.6126 0.0036 0.0107 0.0146 34 THR C CG2 4608 N N . GLY C 33 ? 0.5130 0.5305 0.5066 0.0048 0.0121 0.0152 35 GLY C N 4609 C CA . GLY C 33 ? 0.5240 0.5414 0.5195 0.0047 0.0115 0.0146 35 GLY C CA 4610 C C . GLY C 33 ? 0.5037 0.5221 0.5018 0.0037 0.0102 0.0150 35 GLY C C 4611 O O . GLY C 33 ? 0.4422 0.4610 0.4403 0.0030 0.0095 0.0155 35 GLY C O 4612 N N . PHE C 34 ? 0.4911 0.5100 0.4913 0.0038 0.0100 0.0147 36 PHE C N 4613 C CA . PHE C 34 ? 0.4854 0.5051 0.4881 0.0030 0.0089 0.0151 36 PHE C CA 4614 C C . PHE C 34 ? 0.5112 0.5331 0.5165 0.0030 0.0094 0.0160 36 PHE C C 4615 O O . PHE C 34 ? 0.5005 0.5232 0.5064 0.0037 0.0104 0.0162 36 PHE C O 4616 C CB . PHE C 34 ? 0.5087 0.5276 0.5121 0.0029 0.0083 0.0143 36 PHE C CB 4617 C CG . PHE C 34 ? 0.5250 0.5417 0.5261 0.0028 0.0076 0.0135 36 PHE C CG 4618 C CD1 . PHE C 34 ? 0.4659 0.4818 0.4655 0.0021 0.0069 0.0136 36 PHE C CD1 4619 C CD2 . PHE C 34 ? 0.5378 0.5533 0.5384 0.0032 0.0077 0.0126 36 PHE C CD2 4620 C CE1 . PHE C 34 ? 0.5330 0.5469 0.5305 0.0018 0.0062 0.0130 36 PHE C CE1 4621 C CE2 . PHE C 34 ? 0.5841 0.5975 0.5825 0.0030 0.0070 0.0119 36 PHE C CE2 4622 C CZ . PHE C 34 ? 0.5657 0.5783 0.5626 0.0023 0.0062 0.0121 36 PHE C CZ 4623 N N . THR C 35 ? 0.3726 0.3953 0.3794 0.0022 0.0086 0.0166 37 THR C N 4624 C CA . THR C 35 ? 0.3546 0.3792 0.3639 0.0021 0.0087 0.0175 37 THR C CA 4625 C C . THR C 35 ? 0.3106 0.3351 0.3218 0.0018 0.0081 0.0172 37 THR C C 4626 O O . THR C 35 ? 0.2650 0.2884 0.2760 0.0014 0.0072 0.0167 37 THR C O 4627 C CB . THR C 35 ? 0.3310 0.3565 0.3409 0.0014 0.0083 0.0183 37 THR C CB 4628 O OG1 . THR C 35 ? 0.3157 0.3413 0.3238 0.0018 0.0090 0.0187 37 THR C OG1 4629 C CG2 . THR C 35 ? 0.3500 0.3771 0.3625 0.0012 0.0082 0.0192 37 THR C CG2 4630 N N . ASN C 36 ? 0.3506 0.3762 0.3636 0.0021 0.0084 0.0175 38 ASN C N 4631 C CA . ASN C 36 ? 0.3005 0.3261 0.3152 0.0018 0.0078 0.0173 38 ASN C CA 4632 C C . ASN C 36 ? 0.3374 0.3630 0.3531 0.0009 0.0069 0.0177 38 ASN C C 4633 O O . ASN C 36 ? 0.3231 0.3496 0.3392 0.0005 0.0068 0.0184 38 ASN C O 4634 C CB . ASN C 36 ? 0.3028 0.3297 0.3192 0.0021 0.0083 0.0178 38 ASN C CB 4635 C CG . ASN C 36 ? 0.3757 0.4023 0.3914 0.0030 0.0092 0.0174 38 ASN C CG 4636 O OD1 . ASN C 36 ? 0.3526 0.3778 0.3664 0.0033 0.0093 0.0166 38 ASN C OD1 4637 N ND2 . ASN C 36 ? 0.4413 0.4690 0.4584 0.0033 0.0097 0.0180 38 ASN C ND2 4638 N N . VAL C 37 ? 0.3456 0.3703 0.3619 0.0007 0.0063 0.0171 39 VAL C N 4639 C CA . VAL C 37 ? 0.3577 0.3823 0.3751 -0.0001 0.0055 0.0174 39 VAL C CA 4640 C C . VAL C 37 ? 0.3626 0.3875 0.3816 -0.0002 0.0053 0.0175 39 VAL C C 4641 O O . VAL C 37 ? 0.3055 0.3297 0.3245 0.0001 0.0053 0.0169 39 VAL C O 4642 C CB . VAL C 37 ? 0.3430 0.3662 0.3596 -0.0003 0.0049 0.0169 39 VAL C CB 4643 C CG1 . VAL C 37 ? 0.3360 0.3591 0.3538 -0.0010 0.0042 0.0172 39 VAL C CG1 4644 C CG2 . VAL C 37 ? 0.3915 0.4143 0.4063 -0.0003 0.0049 0.0168 39 VAL C CG2 4645 N N . THR C 38 ? 0.2099 0.2355 0.2300 -0.0006 0.0051 0.0183 40 THR C N 4646 C CA . THR C 38 ? 0.1818 0.2076 0.2033 -0.0009 0.0048 0.0185 40 THR C CA 4647 C C . THR C 38 ? 0.2295 0.2543 0.2515 -0.0014 0.0041 0.0184 40 THR C C 4648 O O . THR C 38 ? 0.2163 0.2412 0.2384 -0.0019 0.0039 0.0188 40 THR C O 4649 C CB . THR C 38 ? 0.2397 0.2670 0.2623 -0.0011 0.0049 0.0194 40 THR C CB 4650 O OG1 . THR C 38 ? 0.2058 0.2341 0.2280 -0.0005 0.0057 0.0197 40 THR C OG1 4651 C CG2 . THR C 38 ? 0.1382 0.1654 0.1620 -0.0013 0.0046 0.0196 40 THR C CG2 4652 N N . LYS C 39 ? 0.2517 0.2756 0.2739 -0.0014 0.0039 0.0178 41 LYS C N 4653 C CA . LYS C 39 ? 0.3418 0.3645 0.3643 -0.0018 0.0034 0.0178 41 LYS C CA 4654 C C . LYS C 39 ? 0.3781 0.4012 0.4016 -0.0024 0.0031 0.0184 41 LYS C C 4655 O O . LYS C 39 ? 0.3548 0.3787 0.3788 -0.0024 0.0031 0.0188 41 LYS C O 4656 C CB . LYS C 39 ? 0.3611 0.3827 0.3835 -0.0016 0.0033 0.0170 41 LYS C CB 4657 C CG . LYS C 39 ? 0.3794 0.4002 0.4010 -0.0012 0.0034 0.0164 41 LYS C CG 4658 C CD . LYS C 39 ? 0.4938 0.5133 0.5154 -0.0011 0.0033 0.0159 41 LYS C CD 4659 C CE . LYS C 39 ? 0.6041 0.6229 0.6252 -0.0008 0.0033 0.0154 41 LYS C CE 4660 N NZ . LYS C 39 ? 0.6552 0.6744 0.6755 -0.0004 0.0035 0.0151 41 LYS C NZ 4661 N N . GLY C 40 ? 0.3178 0.3402 0.3416 -0.0028 0.0027 0.0186 42 GLY C N 4662 C CA . GLY C 40 ? 0.2939 0.3163 0.3185 -0.0034 0.0023 0.0192 42 GLY C CA 4663 C C . GLY C 40 ? 0.2995 0.3225 0.3245 -0.0038 0.0022 0.0199 42 GLY C C 4664 O O . GLY C 40 ? 0.2798 0.3030 0.3045 -0.0037 0.0023 0.0199 42 GLY C O 4665 N N . ALA C 41 ? 0.3224 0.3456 0.3482 -0.0043 0.0018 0.0206 43 ALA C N 4666 C CA . ALA C 41 ? 0.2917 0.3155 0.3181 -0.0048 0.0016 0.0213 43 ALA C CA 4667 C C . ALA C 41 ? 0.2444 0.2701 0.2714 -0.0048 0.0018 0.0221 43 ALA C C 4668 O O . ALA C 41 ? 0.2839 0.3103 0.3111 -0.0047 0.0019 0.0223 43 ALA C O 4669 C CB . ALA C 41 ? 0.2631 0.2857 0.2900 -0.0054 0.0011 0.0215 43 ALA C CB 4670 N N . SER C 42 ? 0.2486 0.2751 0.2758 -0.0050 0.0018 0.0226 44 SER C N 4671 C CA . SER C 42 ? 0.2252 0.2534 0.2529 -0.0050 0.0020 0.0235 44 SER C CA 4672 C C . SER C 42 ? 0.2383 0.2670 0.2664 -0.0055 0.0018 0.0242 44 SER C C 4673 O O . SER C 42 ? 0.1808 0.2084 0.2090 -0.0057 0.0015 0.0240 44 SER C O 4674 C CB . SER C 42 ? 0.2436 0.2727 0.2705 -0.0044 0.0027 0.0233 44 SER C CB 4675 O OG . SER C 42 ? 0.2451 0.2759 0.2725 -0.0043 0.0030 0.0242 44 SER C OG 4676 N N . VAL C 43 ? 0.1841 0.2145 0.2127 -0.0055 0.0020 0.0251 45 VAL C N 4677 C CA . VAL C 43 ? 0.2262 0.2573 0.2553 -0.0059 0.0018 0.0258 45 VAL C CA 4678 C C . VAL C 43 ? 0.2668 0.2994 0.2954 -0.0055 0.0024 0.0263 45 VAL C C 4679 O O . VAL C 43 ? 0.2365 0.2699 0.2649 -0.0051 0.0028 0.0264 45 VAL C O 4680 C CB . VAL C 43 ? 0.2054 0.2367 0.2360 -0.0066 0.0012 0.0267 45 VAL C CB 4681 C CG1 . VAL C 43 ? 0.1755 0.2050 0.2064 -0.0069 0.0007 0.0262 45 VAL C CG1 4682 C CG2 . VAL C 43 ? 0.2275 0.2600 0.2589 -0.0065 0.0012 0.0273 45 VAL C CG2 4683 N N . ILE C 44 ? 0.3060 0.3390 0.3343 -0.0057 0.0024 0.0267 46 ILE C N 4684 C CA . ILE C 44 ? 0.3167 0.3510 0.3443 -0.0054 0.0029 0.0271 46 ILE C CA 4685 C C . ILE C 44 ? 0.3573 0.3933 0.3862 -0.0057 0.0029 0.0285 46 ILE C C 4686 O O . ILE C 44 ? 0.3673 0.4046 0.3958 -0.0054 0.0034 0.0291 46 ILE C O 4687 C CB . ILE C 44 ? 0.3183 0.3520 0.3444 -0.0054 0.0030 0.0268 46 ILE C CB 4688 C CG1 . ILE C 44 ? 0.2601 0.2938 0.2871 -0.0061 0.0023 0.0274 46 ILE C CG1 4689 C CG2 . ILE C 44 ? 0.2788 0.3109 0.3036 -0.0051 0.0030 0.0256 46 ILE C CG2 4690 C CD1 . ILE C 44 ? 0.2866 0.3198 0.3124 -0.0063 0.0022 0.0272 46 ILE C CD1 4691 N N . ASN C 45 ? 0.2844 0.3203 0.3149 -0.0064 0.0022 0.0289 47 ASN C N 4692 C CA . ASN C 45 ? 0.3109 0.3482 0.3428 -0.0068 0.0020 0.0302 47 ASN C CA 4693 C C . ASN C 45 ? 0.2641 0.3012 0.2976 -0.0072 0.0014 0.0305 47 ASN C C 4694 O O . ASN C 45 ? 0.2831 0.3189 0.3171 -0.0077 0.0008 0.0303 47 ASN C O 4695 C CB . ASN C 45 ? 0.2299 0.2674 0.2621 -0.0073 0.0017 0.0308 47 ASN C CB 4696 C CG . ASN C 45 ? 0.2536 0.2929 0.2874 -0.0077 0.0015 0.0322 47 ASN C CG 4697 O OD1 . ASN C 45 ? 0.2827 0.3229 0.3177 -0.0077 0.0015 0.0328 47 ASN C OD1 4698 N ND2 . ASN C 45 ? 0.1700 0.2099 0.2039 -0.0080 0.0014 0.0328 47 ASN C ND2 4699 N N . GLN C 46 ? 0.2631 0.3012 0.2973 -0.0070 0.0016 0.0311 48 GLN C N 4700 C CA . GLN C 46 ? 0.2997 0.3376 0.3353 -0.0075 0.0009 0.0314 48 GLN C CA 4701 C C . GLN C 46 ? 0.2892 0.3272 0.3263 -0.0083 0.0001 0.0324 48 GLN C C 4702 O O . GLN C 46 ? 0.2916 0.3286 0.3294 -0.0088 -0.0006 0.0324 48 GLN C O 4703 C CB . GLN C 46 ? 0.2818 0.3210 0.3180 -0.0071 0.0012 0.0321 48 GLN C CB 4704 C CG . GLN C 46 ? 0.2802 0.3187 0.3154 -0.0065 0.0017 0.0312 48 GLN C CG 4705 C CD . GLN C 46 ? 0.3386 0.3751 0.3736 -0.0069 0.0010 0.0303 48 GLN C CD 4706 O OE1 . GLN C 46 ? 0.3516 0.3875 0.3875 -0.0076 0.0002 0.0306 48 GLN C OE1 4707 N NE2 . GLN C 46 ? 0.2921 0.3277 0.3259 -0.0064 0.0014 0.0292 48 GLN C NE2 4708 N N . LYS C 47 ? 0.2426 0.2817 0.2800 -0.0084 0.0003 0.0331 49 LYS C N 4709 C CA . LYS C 47 ? 0.2968 0.3363 0.3358 -0.0091 -0.0005 0.0341 49 LYS C CA 4710 C C . LYS C 47 ? 0.3176 0.3558 0.3564 -0.0095 -0.0008 0.0336 49 LYS C C 4711 O O . LYS C 47 ? 0.3452 0.3836 0.3851 -0.0101 -0.0013 0.0344 49 LYS C O 4712 C CB . LYS C 47 ? 0.3277 0.3696 0.3677 -0.0091 -0.0002 0.0355 49 LYS C CB 4713 C CG . LYS C 47 ? 0.4193 0.4627 0.4595 -0.0085 0.0005 0.0361 49 LYS C CG 4714 C CD . LYS C 47 ? 0.3990 0.4424 0.4406 -0.0088 -0.0001 0.0366 49 LYS C CD 4715 C CE . LYS C 47 ? 0.4447 0.4900 0.4869 -0.0082 0.0005 0.0375 49 LYS C CE 4716 N NZ . LYS C 47 ? 0.5069 0.5524 0.5507 -0.0086 -0.0001 0.0382 49 LYS C NZ 4717 N N . ASP C 48 ? 0.3303 0.3672 0.3676 -0.0092 -0.0005 0.0325 50 ASP C N 4718 C CA . ASP C 48 ? 0.2952 0.3308 0.3324 -0.0095 -0.0007 0.0321 50 ASP C CA 4719 C C . ASP C 48 ? 0.2736 0.3070 0.3097 -0.0093 -0.0007 0.0308 50 ASP C C 4720 O O . ASP C 48 ? 0.2605 0.2932 0.2956 -0.0091 -0.0004 0.0302 50 ASP C O 4721 C CB . ASP C 48 ? 0.2799 0.3165 0.3166 -0.0094 -0.0004 0.0324 50 ASP C CB 4722 C CG . ASP C 48 ? 0.3727 0.4085 0.4100 -0.0100 -0.0008 0.0326 50 ASP C CG 4723 O OD1 . ASP C 48 ? 0.3171 0.3516 0.3552 -0.0103 -0.0012 0.0324 50 ASP C OD1 4724 O OD2 . ASP C 48 ? 0.4061 0.4428 0.4432 -0.0100 -0.0006 0.0331 50 ASP C OD2 4725 N N . TRP C 49 ? 0.2435 0.2758 0.2796 -0.0094 -0.0010 0.0304 51 TRP C N 4726 C CA . TRP C 49 ? 0.2239 0.2541 0.2592 -0.0093 -0.0010 0.0293 51 TRP C CA 4727 C C . TRP C 49 ? 0.2215 0.2502 0.2573 -0.0098 -0.0016 0.0293 51 TRP C C 4728 O O . TRP C 49 ? 0.1796 0.2091 0.2164 -0.0102 -0.0021 0.0301 51 TRP C O 4729 C CB . TRP C 49 ? 0.1988 0.2287 0.2328 -0.0086 -0.0006 0.0284 51 TRP C CB 4730 C CG . TRP C 49 ? 0.1910 0.2214 0.2251 -0.0085 -0.0007 0.0284 51 TRP C CG 4731 C CD1 . TRP C 49 ? 0.2200 0.2523 0.2546 -0.0083 -0.0004 0.0292 51 TRP C CD1 4732 C CD2 . TRP C 49 ? 0.1587 0.1875 0.1924 -0.0086 -0.0010 0.0278 51 TRP C CD2 4733 N NE1 . TRP C 49 ? 0.2334 0.2656 0.2681 -0.0083 -0.0006 0.0291 51 TRP C NE1 4734 C CE2 . TRP C 49 ? 0.2030 0.2330 0.2371 -0.0085 -0.0010 0.0283 51 TRP C CE2 4735 C CE3 . TRP C 49 ? 0.1889 0.2154 0.2219 -0.0087 -0.0012 0.0270 51 TRP C CE3 4736 C CZ2 . TRP C 49 ? 0.1906 0.2197 0.2245 -0.0086 -0.0014 0.0280 51 TRP C CZ2 4737 C CZ3 . TRP C 49 ? 0.1467 0.1722 0.1794 -0.0088 -0.0015 0.0266 51 TRP C CZ3 4738 C CH2 . TRP C 49 ? 0.1929 0.2196 0.2260 -0.0088 -0.0016 0.0271 51 TRP C CH2 4739 N N . ILE C 50 ? 0.2539 0.2804 0.2889 -0.0097 -0.0016 0.0284 52 ILE C N 4740 C CA . ILE C 50 ? 0.2537 0.2784 0.2888 -0.0101 -0.0022 0.0283 52 ILE C CA 4741 C C . ILE C 50 ? 0.2239 0.2464 0.2575 -0.0097 -0.0019 0.0271 52 ILE C C 4742 O O . ILE C 50 ? 0.2044 0.2266 0.2374 -0.0093 -0.0014 0.0265 52 ILE C O 4743 C CB . ILE C 50 ? 0.2635 0.2874 0.2994 -0.0106 -0.0025 0.0288 52 ILE C CB 4744 C CG1 . ILE C 50 ? 0.3053 0.3269 0.3409 -0.0111 -0.0030 0.0285 52 ILE C CG1 4745 C CG2 . ILE C 50 ? 0.2092 0.2324 0.2449 -0.0103 -0.0020 0.0284 52 ILE C CG2 4746 C CD1 . ILE C 50 ? 0.2782 0.2994 0.3149 -0.0117 -0.0035 0.0293 52 ILE C CD1 4747 N N . GLY C 51 ? 0.2269 0.2482 0.2601 -0.0100 -0.0024 0.0268 53 GLY C N 4748 C CA . GLY C 51 ? 0.1808 0.1999 0.2126 -0.0097 -0.0022 0.0257 53 GLY C CA 4749 C C . GLY C 51 ? 0.2373 0.2538 0.2687 -0.0101 -0.0025 0.0255 53 GLY C C 4750 O O . GLY C 51 ? 0.2208 0.2372 0.2529 -0.0107 -0.0031 0.0262 53 GLY C O 4751 N N . PHE C 52 ? 0.2211 0.2357 0.2514 -0.0097 -0.0020 0.0246 54 PHE C N 4752 C CA . PHE C 52 ? 0.1780 0.1896 0.2074 -0.0099 -0.0022 0.0243 54 PHE C CA 4753 C C . PHE C 52 ? 0.1818 0.1918 0.2096 -0.0096 -0.0021 0.0233 54 PHE C C 4754 O O . PHE C 52 ? 0.1716 0.1817 0.1989 -0.0090 -0.0015 0.0227 54 PHE C O 4755 C CB . PHE C 52 ? 0.2239 0.2346 0.2537 -0.0096 -0.0016 0.0243 54 PHE C CB 4756 C CG . PHE C 52 ? 0.2128 0.2253 0.2442 -0.0099 -0.0017 0.0253 54 PHE C CG 4757 C CD1 . PHE C 52 ? 0.2278 0.2401 0.2600 -0.0106 -0.0023 0.0260 54 PHE C CD1 4758 C CD2 . PHE C 52 ? 0.2218 0.2361 0.2540 -0.0096 -0.0012 0.0255 54 PHE C CD2 4759 C CE1 . PHE C 52 ? 0.2861 0.3000 0.3198 -0.0109 -0.0023 0.0269 54 PHE C CE1 4760 C CE2 . PHE C 52 ? 0.2221 0.2380 0.2558 -0.0099 -0.0013 0.0264 54 PHE C CE2 4761 C CZ . PHE C 52 ? 0.2616 0.2774 0.2961 -0.0105 -0.0019 0.0272 54 PHE C CZ 4762 N N . GLY C 53 ? 0.2185 0.2267 0.2454 -0.0101 -0.0028 0.0232 55 GLY C N 4763 C CA . GLY C 53 ? 0.1789 0.1855 0.2042 -0.0099 -0.0028 0.0224 55 GLY C CA 4764 C C . GLY C 53 ? 0.2328 0.2365 0.2566 -0.0104 -0.0034 0.0221 55 GLY C C 4765 O O . GLY C 53 ? 0.2287 0.2308 0.2523 -0.0108 -0.0036 0.0223 55 GLY C O 4766 N N . ASP C 54 ? 0.2115 0.2145 0.2340 -0.0105 -0.0037 0.0216 56 ASP C N 4767 C CA . ASP C 54 ? 0.2114 0.2113 0.2319 -0.0109 -0.0043 0.0212 56 ASP C CA 4768 C C . ASP C 54 ? 0.2204 0.2212 0.2410 -0.0116 -0.0053 0.0215 56 ASP C C 4769 O O . ASP C 54 ? 0.1984 0.2019 0.2206 -0.0118 -0.0057 0.0223 56 ASP C O 4770 C CB . ASP C 54 ? 0.2424 0.2399 0.2611 -0.0102 -0.0034 0.0201 56 ASP C CB 4771 C CG . ASP C 54 ? 0.2514 0.2506 0.2703 -0.0096 -0.0029 0.0197 56 ASP C CG 4772 O OD1 . ASP C 54 ? 0.2084 0.2068 0.2268 -0.0088 -0.0019 0.0191 56 ASP C OD1 4773 O OD2 . ASP C 54 ? 0.1966 0.1977 0.2161 -0.0098 -0.0034 0.0200 56 ASP C OD2 4774 N N . SER C 55 ? 0.2549 0.2532 0.2735 -0.0118 -0.0058 0.0210 57 SER C N 4775 C CA . SER C 55 ? 0.2596 0.2583 0.2780 -0.0126 -0.0069 0.0214 57 SER C CA 4776 C C . SER C 55 ? 0.2440 0.2461 0.2640 -0.0122 -0.0067 0.0218 57 SER C C 4777 O O . SER C 55 ? 0.2383 0.2419 0.2593 -0.0128 -0.0076 0.0226 57 SER C O 4778 C CB . SER C 55 ? 0.2620 0.2576 0.2778 -0.0127 -0.0072 0.0206 57 SER C CB 4779 O OG . SER C 55 ? 0.3385 0.3338 0.3534 -0.0118 -0.0061 0.0197 57 SER C OG 4780 N N . ARG C 56 ? 0.2664 0.2696 0.2868 -0.0113 -0.0056 0.0212 58 ARG C N 4781 C CA . ARG C 56 ? 0.2382 0.2442 0.2597 -0.0108 -0.0053 0.0214 58 ARG C CA 4782 C C . ARG C 56 ? 0.2435 0.2526 0.2672 -0.0109 -0.0053 0.0224 58 ARG C C 4783 O O . ARG C 56 ? 0.2278 0.2392 0.2526 -0.0105 -0.0051 0.0227 58 ARG C O 4784 C CB . ARG C 56 ? 0.2209 0.2268 0.2418 -0.0098 -0.0042 0.0205 58 ARG C CB 4785 C CG . ARG C 56 ? 0.2510 0.2546 0.2700 -0.0097 -0.0042 0.0196 58 ARG C CG 4786 C CD . ARG C 56 ? 0.2393 0.2416 0.2574 -0.0088 -0.0031 0.0188 58 ARG C CD 4787 N NE . ARG C 56 ? 0.2126 0.2129 0.2289 -0.0086 -0.0029 0.0180 58 ARG C NE 4788 C CZ . ARG C 56 ? 0.2724 0.2719 0.2881 -0.0078 -0.0020 0.0173 58 ARG C CZ 4789 N NH1 . ARG C 56 ? 0.2770 0.2775 0.2937 -0.0072 -0.0012 0.0173 58 ARG C NH1 4790 N NH2 . ARG C 56 ? 0.3392 0.3369 0.3532 -0.0076 -0.0019 0.0167 58 ARG C NH2 4791 N N . THR C 57 ? 0.1780 0.1871 0.2025 -0.0112 -0.0055 0.0230 59 THR C N 4792 C CA . THR C 57 ? 0.2444 0.2563 0.2709 -0.0114 -0.0056 0.0241 59 THR C CA 4793 C C . THR C 57 ? 0.2464 0.2578 0.2735 -0.0124 -0.0067 0.0250 59 THR C C 4794 O O . THR C 57 ? 0.2488 0.2621 0.2775 -0.0126 -0.0068 0.0259 59 THR C O 4795 C CB . THR C 57 ? 0.2218 0.2349 0.2490 -0.0108 -0.0047 0.0240 59 THR C CB 4796 O OG1 . THR C 57 ? 0.2498 0.2608 0.2764 -0.0109 -0.0046 0.0236 59 THR C OG1 4797 C CG2 . THR C 57 ? 0.2026 0.2166 0.2296 -0.0099 -0.0037 0.0233 59 THR C CG2 4798 N N . ASP C 58 ? 0.2525 0.2613 0.2781 -0.0130 -0.0076 0.0247 60 ASP C N 4799 C CA . ASP C 58 ? 0.2489 0.2565 0.2747 -0.0140 -0.0087 0.0254 60 ASP C CA 4800 C C . ASP C 58 ? 0.2675 0.2761 0.2941 -0.0148 -0.0099 0.0265 60 ASP C C 4801 O O . ASP C 58 ? 0.2869 0.2939 0.3122 -0.0153 -0.0106 0.0262 60 ASP C O 4802 C CB . ASP C 58 ? 0.2462 0.2499 0.2697 -0.0143 -0.0089 0.0245 60 ASP C CB 4803 C CG . ASP C 58 ? 0.2772 0.2792 0.3004 -0.0154 -0.0102 0.0252 60 ASP C CG 4804 O OD1 . ASP C 58 ? 0.3060 0.3100 0.3312 -0.0159 -0.0109 0.0264 60 ASP C OD1 4805 O OD2 . ASP C 58 ? 0.2900 0.2886 0.3112 -0.0157 -0.0104 0.0245 60 ASP C OD2 4806 N N . LEU C 59 ? 0.1966 0.2079 0.2255 -0.0151 -0.0102 0.0278 61 LEU C N 4807 C CA . LEU C 59 ? 0.2759 0.2888 0.3061 -0.0158 -0.0112 0.0290 61 LEU C CA 4808 C C . LEU C 59 ? 0.2815 0.2921 0.3110 -0.0170 -0.0129 0.0295 61 LEU C C 4809 O O . LEU C 59 ? 0.2488 0.2602 0.2793 -0.0177 -0.0139 0.0305 61 LEU C O 4810 C CB . LEU C 59 ? 0.2256 0.2420 0.2585 -0.0156 -0.0110 0.0303 61 LEU C CB 4811 C CG . LEU C 59 ? 0.2049 0.2215 0.2388 -0.0160 -0.0112 0.0310 61 LEU C CG 4812 C CD1 . LEU C 59 ? 0.2208 0.2369 0.2555 -0.0172 -0.0127 0.0322 61 LEU C CD1 4813 C CD2 . LEU C 59 ? 0.1939 0.2137 0.2296 -0.0153 -0.0102 0.0316 61 LEU C CD2 4814 N N . THR C 60 ? 0.2539 0.2615 0.2818 -0.0173 -0.0131 0.0288 62 THR C N 4815 C CA . THR C 60 ? 0.2901 0.2950 0.3169 -0.0185 -0.0146 0.0291 62 THR C CA 4816 C C . THR C 60 ? 0.2790 0.2806 0.3029 -0.0187 -0.0149 0.0279 62 THR C C 4817 O O . THR C 60 ? 0.3386 0.3374 0.3609 -0.0196 -0.0161 0.0279 62 THR C O 4818 C CB . THR C 60 ? 0.3038 0.3071 0.3304 -0.0189 -0.0148 0.0291 62 THR C CB 4819 O OG1 . THR C 60 ? 0.3064 0.3066 0.3306 -0.0184 -0.0140 0.0276 62 THR C OG1 4820 C CG2 . THR C 60 ? 0.2339 0.2403 0.2630 -0.0184 -0.0140 0.0299 62 THR C CG2 4821 N N . ASN C 61 ? 0.3427 0.3446 0.3658 -0.0177 -0.0138 0.0269 63 ASN C N 4822 C CA . ASN C 61 ? 0.3003 0.2995 0.3209 -0.0178 -0.0140 0.0260 63 ASN C CA 4823 C C . ASN C 61 ? 0.3375 0.3371 0.3584 -0.0188 -0.0155 0.0269 63 ASN C C 4824 O O . ASN C 61 ? 0.3515 0.3543 0.3748 -0.0188 -0.0157 0.0280 63 ASN C O 4825 C CB . ASN C 61 ? 0.3405 0.3406 0.3607 -0.0166 -0.0125 0.0249 63 ASN C CB 4826 C CG . ASN C 61 ? 0.3412 0.3381 0.3584 -0.0165 -0.0125 0.0237 63 ASN C CG 4827 O OD1 . ASN C 61 ? 0.3745 0.3710 0.3911 -0.0171 -0.0134 0.0240 63 ASN C OD1 4828 N ND2 . ASN C 61 ? 0.3243 0.3190 0.3398 -0.0158 -0.0114 0.0226 63 ASN C ND2 4829 N N . ASP C 62 ? 0.4098 0.4060 0.4282 -0.0196 -0.0165 0.0264 64 ASP C N 4830 C CA . ASP C 62 ? 0.4915 0.4875 0.5098 -0.0207 -0.0181 0.0273 64 ASP C CA 4831 C C . ASP C 62 ? 0.4389 0.4374 0.4583 -0.0202 -0.0177 0.0275 64 ASP C C 4832 O O . ASP C 62 ? 0.4643 0.4645 0.4853 -0.0209 -0.0187 0.0288 64 ASP C O 4833 C CB . ASP C 62 ? 0.5453 0.5367 0.5600 -0.0215 -0.0191 0.0265 64 ASP C CB 4834 C CG . ASP C 62 ? 0.5823 0.5709 0.5958 -0.0222 -0.0199 0.0264 64 ASP C CG 4835 O OD1 . ASP C 62 ? 0.6902 0.6804 0.7059 -0.0228 -0.0206 0.0277 64 ASP C OD1 4836 O OD2 . ASP C 62 ? 0.6552 0.6400 0.6656 -0.0221 -0.0196 0.0252 64 ASP C OD2 4837 N N . GLN C 63 ? 0.2896 0.2884 0.3084 -0.0190 -0.0161 0.0263 65 GLN C N 4838 C CA . GLN C 63 ? 0.3533 0.3543 0.3730 -0.0184 -0.0156 0.0264 65 GLN C CA 4839 C C . GLN C 63 ? 0.2746 0.2796 0.2971 -0.0175 -0.0144 0.0270 65 GLN C C 4840 O O . GLN C 63 ? 0.2899 0.2967 0.3131 -0.0168 -0.0137 0.0269 65 GLN C O 4841 C CB . GLN C 63 ? 0.3143 0.3131 0.3314 -0.0177 -0.0148 0.0248 65 GLN C CB 4842 C CG . GLN C 63 ? 0.3627 0.3574 0.3766 -0.0186 -0.0159 0.0243 65 GLN C CG 4843 C CD . GLN C 63 ? 0.5427 0.5356 0.5543 -0.0180 -0.0151 0.0229 65 GLN C CD 4844 O OE1 . GLN C 63 ? 0.6104 0.6026 0.6211 -0.0185 -0.0159 0.0230 65 GLN C OE1 4845 N NE2 . GLN C 63 ? 0.5033 0.4955 0.5141 -0.0168 -0.0136 0.0218 65 GLN C NE2 4846 N N . PHE C 64 ? 0.2674 0.2736 0.2913 -0.0174 -0.0142 0.0275 66 PHE C N 4847 C CA . PHE C 64 ? 0.2926 0.3026 0.3192 -0.0166 -0.0132 0.0282 66 PHE C CA 4848 C C . PHE C 64 ? 0.2708 0.2834 0.2995 -0.0169 -0.0137 0.0296 66 PHE C C 4849 O O . PHE C 64 ? 0.2839 0.2962 0.3131 -0.0180 -0.0152 0.0307 66 PHE C O 4850 C CB . PHE C 64 ? 0.2925 0.3032 0.3202 -0.0167 -0.0130 0.0287 66 PHE C CB 4851 C CG . PHE C 64 ? 0.2445 0.2586 0.2743 -0.0157 -0.0118 0.0291 66 PHE C CG 4852 C CD1 . PHE C 64 ? 0.1932 0.2074 0.2224 -0.0147 -0.0104 0.0280 66 PHE C CD1 4853 C CD2 . PHE C 64 ? 0.2293 0.2464 0.2616 -0.0159 -0.0121 0.0307 66 PHE C CD2 4854 C CE1 . PHE C 64 ? 0.2184 0.2355 0.2493 -0.0139 -0.0094 0.0284 66 PHE C CE1 4855 C CE2 . PHE C 64 ? 0.2345 0.2545 0.2684 -0.0150 -0.0109 0.0310 66 PHE C CE2 4856 C CZ . PHE C 64 ? 0.2184 0.2383 0.2515 -0.0140 -0.0096 0.0298 66 PHE C CZ 4857 N N . PRO C 65 ? 0.3210 0.3364 0.3512 -0.0159 -0.0126 0.0297 67 PRO C N 4858 C CA . PRO C 65 ? 0.2327 0.2489 0.2625 -0.0146 -0.0109 0.0286 67 PRO C CA 4859 C C . PRO C 65 ? 0.2860 0.3006 0.3139 -0.0141 -0.0104 0.0272 67 PRO C C 4860 O O . PRO C 65 ? 0.2526 0.2676 0.2801 -0.0131 -0.0091 0.0262 67 PRO C O 4861 C CB . PRO C 65 ? 0.2547 0.2745 0.2870 -0.0141 -0.0102 0.0297 67 PRO C CB 4862 C CG . PRO C 65 ? 0.2943 0.3148 0.3278 -0.0149 -0.0114 0.0310 67 PRO C CG 4863 C CD . PRO C 65 ? 0.2190 0.2372 0.2516 -0.0162 -0.0130 0.0313 67 PRO C CD 4864 N N . ALA C 66 ? 0.1998 0.2127 0.2265 -0.0148 -0.0114 0.0272 68 ALA C N 4865 C CA . ALA C 66 ? 0.2089 0.2205 0.2339 -0.0143 -0.0109 0.0260 68 ALA C CA 4866 C C . ALA C 66 ? 0.1931 0.2022 0.2159 -0.0138 -0.0101 0.0245 68 ALA C C 4867 O O . ALA C 66 ? 0.2305 0.2392 0.2524 -0.0130 -0.0092 0.0234 68 ALA C O 4868 C CB . ALA C 66 ? 0.2498 0.2596 0.2738 -0.0154 -0.0123 0.0263 68 ALA C CB 4869 N N . SER C 67 ? 0.1991 0.2066 0.2212 -0.0142 -0.0104 0.0244 69 SER C N 4870 C CA . SER C 67 ? 0.2543 0.2596 0.2746 -0.0136 -0.0096 0.0231 69 SER C CA 4871 C C . SER C 67 ? 0.2122 0.2193 0.2338 -0.0127 -0.0084 0.0229 69 SER C C 4872 O O . SER C 67 ? 0.2472 0.2527 0.2676 -0.0123 -0.0076 0.0221 69 SER C O 4873 C CB . SER C 67 ? 0.2414 0.2438 0.2602 -0.0145 -0.0105 0.0231 69 SER C CB 4874 O OG . SER C 67 ? 0.2681 0.2718 0.2886 -0.0152 -0.0113 0.0243 69 SER C OG 4875 N N . SER C 68 ? 0.2096 0.2198 0.2334 -0.0124 -0.0081 0.0238 70 SER C N 4876 C CA . SER C 68 ? 0.2425 0.2544 0.2674 -0.0118 -0.0071 0.0238 70 SER C CA 4877 C C . SER C 68 ? 0.2689 0.2826 0.2942 -0.0107 -0.0059 0.0233 70 SER C C 4878 O O . SER C 68 ? 0.2700 0.2848 0.2958 -0.0106 -0.0059 0.0235 70 SER C O 4879 C CB . SER C 68 ? 0.2527 0.2667 0.2796 -0.0122 -0.0075 0.0251 70 SER C CB 4880 O OG . SER C 68 ? 0.2869 0.3030 0.3150 -0.0115 -0.0065 0.0253 70 SER C OG 4881 N N . ASP C 69 ? 0.1672 0.1812 0.1926 -0.0100 -0.0050 0.0228 71 ASP C N 4882 C CA . ASP C 69 ? 0.1819 0.1976 0.2077 -0.0091 -0.0039 0.0224 71 ASP C CA 4883 C C . ASP C 69 ? 0.2064 0.2248 0.2339 -0.0089 -0.0036 0.0233 71 ASP C C 4884 O O . ASP C 69 ? 0.2707 0.2905 0.2985 -0.0081 -0.0027 0.0230 71 ASP C O 4885 C CB . ASP C 69 ? 0.1944 0.2086 0.2190 -0.0085 -0.0031 0.0213 71 ASP C CB 4886 C CG . ASP C 69 ? 0.2444 0.2562 0.2673 -0.0084 -0.0032 0.0205 71 ASP C CG 4887 O OD1 . ASP C 69 ? 0.2495 0.2617 0.2723 -0.0084 -0.0034 0.0204 71 ASP C OD1 4888 O OD2 . ASP C 69 ? 0.2292 0.2388 0.2510 -0.0084 -0.0031 0.0199 71 ASP C OD2 4889 N N . VAL C 70 ? 0.2182 0.2372 0.2467 -0.0096 -0.0042 0.0243 72 VAL C N 4890 C CA . VAL C 70 ? 0.1945 0.2162 0.2247 -0.0094 -0.0039 0.0253 72 VAL C CA 4891 C C . VAL C 70 ? 0.2046 0.2273 0.2362 -0.0102 -0.0049 0.0267 72 VAL C C 4892 O O . VAL C 70 ? 0.1655 0.1866 0.1967 -0.0110 -0.0059 0.0269 72 VAL C O 4893 C CB . VAL C 70 ? 0.2259 0.2477 0.2563 -0.0094 -0.0036 0.0254 72 VAL C CB 4894 C CG1 . VAL C 70 ? 0.1891 0.2101 0.2184 -0.0086 -0.0027 0.0242 72 VAL C CG1 4895 C CG2 . VAL C 70 ? 0.1436 0.1638 0.1739 -0.0102 -0.0045 0.0257 72 VAL C CG2 4896 N N . PRO C 71 ? 0.2567 0.2821 0.2898 -0.0099 -0.0045 0.0277 73 PRO C N 4897 C CA . PRO C 71 ? 0.2476 0.2743 0.2824 -0.0106 -0.0053 0.0292 73 PRO C CA 4898 C C . PRO C 71 ? 0.3052 0.3320 0.3408 -0.0112 -0.0058 0.0300 73 PRO C C 4899 O O . PRO C 71 ? 0.3367 0.3631 0.3718 -0.0109 -0.0053 0.0295 73 PRO C O 4900 C CB . PRO C 71 ? 0.2146 0.2441 0.2508 -0.0098 -0.0044 0.0299 73 PRO C CB 4901 C CG . PRO C 71 ? 0.2952 0.3248 0.3304 -0.0089 -0.0032 0.0289 73 PRO C CG 4902 C CD . PRO C 71 ? 0.2666 0.2937 0.3000 -0.0089 -0.0033 0.0274 73 PRO C CD 4903 N N . LEU C 72 ? 0.2557 0.2831 0.2927 -0.0120 -0.0068 0.0313 74 LEU C N 4904 C CA . LEU C 72 ? 0.2449 0.2723 0.2828 -0.0127 -0.0076 0.0322 74 LEU C CA 4905 C C . LEU C 72 ? 0.2499 0.2790 0.2885 -0.0122 -0.0067 0.0324 74 LEU C C 4906 O O . LEU C 72 ? 0.2716 0.2997 0.3099 -0.0125 -0.0070 0.0323 74 LEU C O 4907 C CB . LEU C 72 ? 0.2389 0.2675 0.2786 -0.0135 -0.0087 0.0339 74 LEU C CB 4908 C CG . LEU C 72 ? 0.2702 0.2990 0.3112 -0.0144 -0.0096 0.0351 74 LEU C CG 4909 C CD1 . LEU C 72 ? 0.1976 0.2232 0.2368 -0.0151 -0.0105 0.0342 74 LEU C CD1 4910 C CD2 . LEU C 72 ? 0.2419 0.2723 0.2849 -0.0151 -0.0106 0.0369 74 LEU C CD2 4911 N N . ALA C 73 ? 0.2401 0.2715 0.2795 -0.0114 -0.0057 0.0328 75 ALA C N 4912 C CA . ALA C 73 ? 0.2695 0.3026 0.3095 -0.0109 -0.0049 0.0333 75 ALA C CA 4913 C C . ALA C 73 ? 0.3066 0.3384 0.3451 -0.0105 -0.0043 0.0319 75 ALA C C 4914 O O . ALA C 73 ? 0.3132 0.3456 0.3520 -0.0105 -0.0040 0.0322 75 ALA C O 4915 C CB . ALA C 73 ? 0.2591 0.2947 0.3001 -0.0101 -0.0038 0.0339 75 ALA C CB 4916 N N . VAL C 74 ? 0.2107 0.2406 0.2476 -0.0102 -0.0041 0.0305 76 VAL C N 4917 C CA . VAL C 74 ? 0.1805 0.2090 0.2159 -0.0099 -0.0036 0.0293 76 VAL C CA 4918 C C . VAL C 74 ? 0.2175 0.2435 0.2523 -0.0106 -0.0043 0.0289 76 VAL C C 4919 O O . VAL C 74 ? 0.2169 0.2422 0.2513 -0.0106 -0.0041 0.0285 76 VAL C O 4920 C CB . VAL C 74 ? 0.1676 0.1955 0.2017 -0.0091 -0.0028 0.0281 76 VAL C CB 4921 C CG1 . VAL C 74 ? 0.1638 0.1901 0.1966 -0.0089 -0.0024 0.0269 76 VAL C CG1 4922 C CG2 . VAL C 74 ? 0.1455 0.1757 0.1801 -0.0084 -0.0019 0.0284 76 VAL C CG2 4923 N N . ALA C 75 ? 0.2242 0.2488 0.2586 -0.0112 -0.0052 0.0289 77 ALA C N 4924 C CA . ALA C 75 ? 0.2269 0.2489 0.2605 -0.0119 -0.0060 0.0285 77 ALA C CA 4925 C C . ALA C 75 ? 0.2473 0.2696 0.2819 -0.0124 -0.0064 0.0294 77 ALA C C 4926 O O . ALA C 75 ? 0.2124 0.2328 0.2463 -0.0127 -0.0066 0.0289 77 ALA C O 4927 C CB . ALA C 75 ? 0.2086 0.2292 0.2417 -0.0125 -0.0070 0.0286 77 ALA C CB 4928 N N . LYS C 76 ? 0.3017 0.3266 0.3381 -0.0125 -0.0065 0.0307 78 LYS C N 4929 C CA . LYS C 76 ? 0.3307 0.3564 0.3685 -0.0130 -0.0069 0.0317 78 LYS C CA 4930 C C . LYS C 76 ? 0.3203 0.3460 0.3579 -0.0126 -0.0061 0.0313 78 LYS C C 4931 O O . LYS C 76 ? 0.3468 0.3723 0.3851 -0.0131 -0.0065 0.0317 78 LYS C O 4932 C CB . LYS C 76 ? 0.3415 0.3702 0.3814 -0.0131 -0.0070 0.0333 78 LYS C CB 4933 C CG . LYS C 76 ? 0.4065 0.4353 0.4472 -0.0138 -0.0081 0.0343 78 LYS C CG 4934 C CD . LYS C 76 ? 0.3834 0.4152 0.4265 -0.0139 -0.0081 0.0360 78 LYS C CD 4935 C CE . LYS C 76 ? 0.4484 0.4804 0.4926 -0.0147 -0.0093 0.0372 78 LYS C CE 4936 N NZ . LYS C 76 ? 0.4256 0.4605 0.4723 -0.0148 -0.0094 0.0391 78 LYS C NZ 4937 N N . LYS C 77 ? 0.2621 0.2882 0.2988 -0.0118 -0.0051 0.0304 79 LYS C N 4938 C CA . LYS C 77 ? 0.3229 0.3492 0.3594 -0.0114 -0.0044 0.0300 79 LYS C CA 4939 C C . LYS C 77 ? 0.2972 0.3207 0.3323 -0.0113 -0.0043 0.0289 79 LYS C C 4940 O O . LYS C 77 ? 0.3082 0.3314 0.3432 -0.0111 -0.0039 0.0286 79 LYS C O 4941 C CB . LYS C 77 ? 0.2974 0.3254 0.3336 -0.0105 -0.0034 0.0298 79 LYS C CB 4942 C CG . LYS C 77 ? 0.2939 0.3246 0.3314 -0.0104 -0.0032 0.0309 79 LYS C CG 4943 C CD . LYS C 77 ? 0.3458 0.3780 0.3842 -0.0104 -0.0030 0.0317 79 LYS C CD 4944 C CE . LYS C 77 ? 0.4744 0.5093 0.5141 -0.0103 -0.0028 0.0330 79 LYS C CE 4945 N NZ . LYS C 77 ? 0.4061 0.4420 0.4452 -0.0095 -0.0019 0.0328 79 LYS C NZ 4946 N N . PHE C 78 ? 0.1892 0.2106 0.2232 -0.0116 -0.0048 0.0282 80 PHE C N 4947 C CA . PHE C 78 ? 0.2064 0.2249 0.2390 -0.0115 -0.0046 0.0272 80 PHE C CA 4948 C C . PHE C 78 ? 0.2406 0.2573 0.2733 -0.0122 -0.0053 0.0275 80 PHE C C 4949 O O . PHE C 78 ? 0.2531 0.2699 0.2864 -0.0129 -0.0063 0.0283 80 PHE C O 4950 C CB . PHE C 78 ? 0.1747 0.1917 0.2058 -0.0112 -0.0046 0.0262 80 PHE C CB 4951 C CG . PHE C 78 ? 0.2328 0.2504 0.2633 -0.0104 -0.0037 0.0254 80 PHE C CG 4952 C CD1 . PHE C 78 ? 0.1692 0.1890 0.2002 -0.0100 -0.0034 0.0257 80 PHE C CD1 4953 C CD2 . PHE C 78 ? 0.2001 0.2159 0.2295 -0.0099 -0.0031 0.0245 80 PHE C CD2 4954 C CE1 . PHE C 78 ? 0.1788 0.1990 0.2092 -0.0092 -0.0026 0.0249 80 PHE C CE1 4955 C CE2 . PHE C 78 ? 0.2113 0.2277 0.2403 -0.0092 -0.0023 0.0239 80 PHE C CE2 4956 C CZ . PHE C 78 ? 0.1381 0.1566 0.1674 -0.0088 -0.0021 0.0240 80 PHE C CZ 4957 N N . ARG C 79 ? 0.2944 0.3095 0.3266 -0.0121 -0.0049 0.0270 81 ARG C N 4958 C CA . ARG C 79 ? 0.2766 0.2891 0.3082 -0.0126 -0.0054 0.0270 81 ARG C CA 4959 C C . ARG C 79 ? 0.2886 0.2982 0.3182 -0.0123 -0.0052 0.0258 81 ARG C C 4960 O O . ARG C 79 ? 0.2955 0.3044 0.3244 -0.0117 -0.0043 0.0251 81 ARG C O 4961 C CB . ARG C 79 ? 0.3022 0.3146 0.3348 -0.0126 -0.0051 0.0273 81 ARG C CB 4962 C CG . ARG C 79 ? 0.3024 0.3178 0.3369 -0.0127 -0.0051 0.0284 81 ARG C CG 4963 C CD . ARG C 79 ? 0.3248 0.3411 0.3605 -0.0136 -0.0062 0.0295 81 ARG C CD 4964 N NE . ARG C 79 ? 0.4990 0.5176 0.5352 -0.0135 -0.0063 0.0300 81 ARG C NE 4965 C CZ . ARG C 79 ? 0.3443 0.3658 0.3820 -0.0134 -0.0062 0.0310 81 ARG C CZ 4966 N NH1 . ARG C 79 ? 0.3562 0.3788 0.3952 -0.0136 -0.0061 0.0317 81 ARG C NH1 4967 N NH2 . ARG C 79 ? 0.3479 0.3712 0.3860 -0.0133 -0.0062 0.0313 81 ARG C NH2 4968 N N . SER C 80 ? 0.2503 0.2583 0.2789 -0.0129 -0.0060 0.0256 82 SER C N 4969 C CA . SER C 80 ? 0.2484 0.2539 0.2748 -0.0126 -0.0059 0.0246 82 SER C CA 4970 C C . SER C 80 ? 0.2834 0.2861 0.3085 -0.0135 -0.0069 0.0245 82 SER C C 4971 O O . SER C 80 ? 0.2393 0.2425 0.2652 -0.0143 -0.0079 0.0254 82 SER C O 4972 C CB . SER C 80 ? 0.1955 0.2025 0.2218 -0.0123 -0.0058 0.0243 82 SER C CB 4973 O OG . SER C 80 ? 0.2191 0.2285 0.2463 -0.0116 -0.0050 0.0243 82 SER C OG 4974 N N . LEU C 81 ? 0.2101 0.2096 0.2330 -0.0133 -0.0066 0.0235 83 LEU C N 4975 C CA . LEU C 81 ? 0.2027 0.1991 0.2237 -0.0140 -0.0076 0.0233 83 LEU C CA 4976 C C . LEU C 81 ? 0.2635 0.2578 0.2822 -0.0136 -0.0072 0.0222 83 LEU C C 4977 O O . LEU C 81 ? 0.2376 0.2313 0.2557 -0.0127 -0.0060 0.0215 83 LEU C O 4978 C CB . LEU C 81 ? 0.2302 0.2241 0.2506 -0.0144 -0.0077 0.0234 83 LEU C CB 4979 C CG . LEU C 81 ? 0.2713 0.2616 0.2896 -0.0152 -0.0088 0.0231 83 LEU C CG 4980 C CD1 . LEU C 81 ? 0.2231 0.2145 0.2420 -0.0163 -0.0104 0.0240 83 LEU C CD1 4981 C CD2 . LEU C 81 ? 0.2351 0.2230 0.2529 -0.0154 -0.0087 0.0231 83 LEU C CD2 4982 N N . SER C 82 ? 0.2542 0.2473 0.2715 -0.0142 -0.0082 0.0221 84 SER C N 4983 C CA . SER C 82 ? 0.2985 0.2893 0.3134 -0.0139 -0.0080 0.0211 84 SER C CA 4984 C C . SER C 82 ? 0.2094 0.1966 0.2222 -0.0135 -0.0072 0.0202 84 SER C C 4985 O O . SER C 82 ? 0.2850 0.2698 0.2969 -0.0140 -0.0076 0.0203 84 SER C O 4986 C CB . SER C 82 ? 0.2673 0.2570 0.2811 -0.0150 -0.0095 0.0213 84 SER C CB 4987 O OG . SER C 82 ? 0.2871 0.2802 0.3029 -0.0152 -0.0100 0.0222 84 SER C OG 4988 N N . GLY C 83 ? 0.2630 0.2497 0.2749 -0.0125 -0.0060 0.0194 85 GLY C N 4989 C CA . GLY C 83 ? 0.2199 0.2032 0.2299 -0.0119 -0.0050 0.0186 85 GLY C CA 4990 C C . GLY C 83 ? 0.3013 0.2852 0.3127 -0.0112 -0.0038 0.0187 85 GLY C C 4991 O O . GLY C 83 ? 0.3192 0.3007 0.3293 -0.0105 -0.0027 0.0182 85 GLY C O 4992 N N . ALA C 84 ? 0.1594 0.1465 0.1734 -0.0113 -0.0039 0.0196 86 ALA C N 4993 C CA . ALA C 84 ? 0.1734 0.1614 0.1891 -0.0109 -0.0030 0.0199 86 ALA C CA 4994 C C . ALA C 84 ? 0.1816 0.1715 0.1983 -0.0099 -0.0019 0.0197 86 ALA C C 4995 O O . ALA C 84 ? 0.1634 0.1548 0.1802 -0.0096 -0.0019 0.0195 86 ALA C O 4996 C CB . ALA C 84 ? 0.1772 0.1677 0.1951 -0.0115 -0.0038 0.0210 86 ALA C CB 4997 N N . SER C 85 ? 0.2292 0.2190 0.2469 -0.0093 -0.0009 0.0199 87 SER C N 4998 C CA . SER C 85 ? 0.2136 0.2056 0.2329 -0.0086 0.0000 0.0201 87 SER C CA 4999 C C . SER C 85 ? 0.2384 0.2306 0.2592 -0.0085 0.0005 0.0207 87 SER C C 5000 O O . SER C 85 ? 0.2083 0.1983 0.2285 -0.0087 0.0005 0.0208 87 SER C O 5001 C CB . SER C 85 ? 0.2192 0.2098 0.2372 -0.0077 0.0009 0.0193 87 SER C CB 5002 O OG . SER C 85 ? 0.2602 0.2483 0.2776 -0.0072 0.0019 0.0192 87 SER C OG 5003 N N . LEU C 86 ? 0.2456 0.2405 0.2684 -0.0081 0.0009 0.0212 88 LEU C N 5004 C CA . LEU C 86 ? 0.2173 0.2125 0.2417 -0.0080 0.0014 0.0219 88 LEU C CA 5005 C C . LEU C 86 ? 0.2406 0.2328 0.2642 -0.0074 0.0025 0.0217 88 LEU C C 5006 O O . LEU C 86 ? 0.2626 0.2536 0.2866 -0.0076 0.0026 0.0221 88 LEU C O 5007 C CB . LEU C 86 ? 0.2296 0.2279 0.2558 -0.0077 0.0017 0.0224 88 LEU C CB 5008 C CG . LEU C 86 ? 0.3335 0.3349 0.3614 -0.0083 0.0010 0.0232 88 LEU C CG 5009 C CD1 . LEU C 86 ? 0.2823 0.2849 0.3095 -0.0086 0.0001 0.0229 88 LEU C CD1 5010 C CD2 . LEU C 86 ? 0.3666 0.3702 0.3961 -0.0079 0.0014 0.0237 88 LEU C CD2 5011 N N . MET C 87 ? 0.2386 0.2295 0.2609 -0.0067 0.0032 0.0210 89 MET C N 5012 C CA . MET C 87 ? 0.2429 0.2310 0.2645 -0.0060 0.0044 0.0209 89 MET C CA 5013 C C . MET C 87 ? 0.2281 0.2126 0.2475 -0.0062 0.0043 0.0204 89 MET C C 5014 O O . MET C 87 ? 0.2301 0.2124 0.2494 -0.0059 0.0051 0.0206 89 MET C O 5015 C CB . MET C 87 ? 0.2223 0.2100 0.2430 -0.0051 0.0052 0.0203 89 MET C CB 5016 C CG . MET C 87 ? 0.2582 0.2436 0.2788 -0.0042 0.0066 0.0204 89 MET C CG 5017 S SD . MET C 87 ? 0.3701 0.3552 0.3899 -0.0033 0.0074 0.0198 89 MET C SD 5018 C CE . MET C 87 ? 0.3133 0.2951 0.3326 -0.0023 0.0091 0.0201 89 MET C CE 5019 N N . LEU C 88 ? 0.1982 0.1821 0.2160 -0.0068 0.0033 0.0199 90 LEU C N 5020 C CA . LEU C 88 ? 0.2130 0.1935 0.2285 -0.0073 0.0029 0.0195 90 LEU C CA 5021 C C . LEU C 88 ? 0.2174 0.1978 0.2341 -0.0078 0.0026 0.0202 90 LEU C C 5022 O O . LEU C 88 ? 0.2321 0.2093 0.2476 -0.0077 0.0031 0.0201 90 LEU C O 5023 C CB . LEU C 88 ? 0.2020 0.1824 0.2159 -0.0080 0.0017 0.0190 90 LEU C CB 5024 C CG . LEU C 88 ? 0.2599 0.2391 0.2719 -0.0075 0.0020 0.0181 90 LEU C CG 5025 C CD1 . LEU C 88 ? 0.1848 0.1641 0.1955 -0.0084 0.0006 0.0178 90 LEU C CD1 5026 C CD2 . LEU C 88 ? 0.2129 0.1880 0.2225 -0.0068 0.0032 0.0175 90 LEU C CD2 5027 N N . SER C 89 ? 0.2191 0.2028 0.2381 -0.0084 0.0018 0.0209 91 SER C N 5028 C CA . SER C 89 ? 0.2826 0.2664 0.3030 -0.0090 0.0014 0.0217 91 SER C CA 5029 C C . SER C 89 ? 0.2604 0.2440 0.2823 -0.0083 0.0027 0.0223 91 SER C C 5030 O O . SER C 89 ? 0.2427 0.2248 0.2649 -0.0085 0.0027 0.0227 91 SER C O 5031 C CB . SER C 89 ? 0.2436 0.2312 0.2660 -0.0097 0.0003 0.0225 91 SER C CB 5032 O OG . SER C 89 ? 0.2529 0.2406 0.2742 -0.0104 -0.0009 0.0222 91 SER C OG 5033 N N . ALA C 90 ? 0.2674 0.2523 0.2902 -0.0075 0.0036 0.0223 92 ALA C N 5034 C CA . ALA C 90 ? 0.2684 0.2531 0.2928 -0.0068 0.0048 0.0230 92 ALA C CA 5035 C C . ALA C 90 ? 0.2768 0.2575 0.2996 -0.0063 0.0058 0.0226 92 ALA C C 5036 O O . ALA C 90 ? 0.2995 0.2794 0.3235 -0.0061 0.0065 0.0233 92 ALA C O 5037 C CB . ALA C 90 ? 0.2438 0.2305 0.2692 -0.0061 0.0055 0.0231 92 ALA C CB 5038 N N . PHE C 91 ? 0.1798 0.1578 0.1998 -0.0060 0.0060 0.0216 93 PHE C N 5039 C CA . PHE C 91 ? 0.2364 0.2103 0.2545 -0.0054 0.0072 0.0212 93 PHE C CA 5040 C C . PHE C 91 ? 0.2492 0.2198 0.2646 -0.0060 0.0065 0.0206 93 PHE C C 5041 O O . PHE C 91 ? 0.2452 0.2124 0.2594 -0.0057 0.0072 0.0205 93 PHE C O 5042 C CB . PHE C 91 ? 0.2478 0.2205 0.2643 -0.0044 0.0082 0.0206 93 PHE C CB 5043 C CG . PHE C 91 ? 0.2420 0.2169 0.2609 -0.0036 0.0092 0.0212 93 PHE C CG 5044 C CD1 . PHE C 91 ? 0.2161 0.1948 0.2368 -0.0038 0.0086 0.0215 93 PHE C CD1 5045 C CD2 . PHE C 91 ? 0.2064 0.1794 0.2257 -0.0026 0.0108 0.0217 93 PHE C CD2 5046 C CE1 . PHE C 91 ? 0.2135 0.1940 0.2362 -0.0031 0.0094 0.0222 93 PHE C CE1 5047 C CE2 . PHE C 91 ? 0.2353 0.2103 0.2569 -0.0020 0.0117 0.0224 93 PHE C CE2 5048 C CZ . PHE C 91 ? 0.2012 0.1799 0.2246 -0.0022 0.0109 0.0227 93 PHE C CZ 5049 N N . GLY C 92 ? 0.2482 0.2197 0.2627 -0.0069 0.0050 0.0202 94 GLY C N 5050 C CA . GLY C 92 ? 0.2634 0.2319 0.2753 -0.0077 0.0040 0.0197 94 GLY C CA 5051 C C . GLY C 92 ? 0.2995 0.2636 0.3080 -0.0071 0.0049 0.0187 94 GLY C C 5052 O O . GLY C 92 ? 0.3416 0.3021 0.3484 -0.0071 0.0052 0.0185 94 GLY C O 5053 N N . PRO C 93 ? 0.3151 0.2792 0.3224 -0.0065 0.0053 0.0181 95 PRO C N 5054 C CA . PRO C 93 ? 0.2837 0.2435 0.2875 -0.0059 0.0062 0.0172 95 PRO C CA 5055 C C . PRO C 93 ? 0.3068 0.2635 0.3075 -0.0069 0.0049 0.0165 95 PRO C C 5056 O O . PRO C 93 ? 0.3434 0.3018 0.3446 -0.0080 0.0033 0.0167 95 PRO C O 5057 C CB . PRO C 93 ? 0.2687 0.2301 0.2723 -0.0053 0.0066 0.0168 95 PRO C CB 5058 C CG . PRO C 93 ? 0.2756 0.2418 0.2828 -0.0054 0.0063 0.0175 95 PRO C CG 5059 C CD . PRO C 93 ? 0.2934 0.2613 0.3022 -0.0065 0.0050 0.0181 95 PRO C CD 5060 N N . PRO C 94 ? 0.3332 0.2851 0.3304 -0.0065 0.0057 0.0158 96 PRO C N 5061 C CA . PRO C 94 ? 0.3349 0.2834 0.3289 -0.0075 0.0044 0.0152 96 PRO C CA 5062 C C . PRO C 94 ? 0.3285 0.2782 0.3214 -0.0084 0.0028 0.0148 96 PRO C C 5063 O O . PRO C 94 ? 0.3091 0.2595 0.3014 -0.0079 0.0032 0.0144 96 PRO C O 5064 C CB . PRO C 94 ? 0.3448 0.2881 0.3352 -0.0066 0.0059 0.0144 96 PRO C CB 5065 C CG . PRO C 94 ? 0.3452 0.2891 0.3377 -0.0053 0.0079 0.0149 96 PRO C CG 5066 C CD . PRO C 94 ? 0.2859 0.2353 0.2823 -0.0051 0.0078 0.0156 96 PRO C CD 5067 N N . GLY C 95 ? 0.3831 0.3330 0.3759 -0.0097 0.0009 0.0150 97 GLY C N 5068 C CA . GLY C 95 ? 0.3213 0.2719 0.3130 -0.0107 -0.0008 0.0148 97 GLY C CA 5069 C C . GLY C 95 ? 0.3397 0.2955 0.3344 -0.0109 -0.0014 0.0153 97 GLY C C 5070 O O . GLY C 95 ? 0.4143 0.3708 0.4082 -0.0116 -0.0026 0.0152 97 GLY C O 5071 N N . LYS C 96 ? 0.2904 0.2497 0.2885 -0.0102 -0.0005 0.0160 98 LYS C N 5072 C CA . LYS C 96 ? 0.3196 0.2836 0.3204 -0.0103 -0.0009 0.0165 98 LYS C CA 5073 C C . LYS C 96 ? 0.3012 0.2681 0.3047 -0.0112 -0.0021 0.0174 98 LYS C C 5074 O O . LYS C 96 ? 0.2880 0.2540 0.2921 -0.0115 -0.0022 0.0178 98 LYS C O 5075 C CB . LYS C 96 ? 0.2761 0.2422 0.2789 -0.0090 0.0007 0.0166 98 LYS C CB 5076 C CG . LYS C 96 ? 0.3295 0.2924 0.3299 -0.0079 0.0022 0.0158 98 LYS C CG 5077 C CD . LYS C 96 ? 0.2659 0.2279 0.2639 -0.0080 0.0018 0.0150 98 LYS C CD 5078 C CE . LYS C 96 ? 0.2807 0.2471 0.2810 -0.0082 0.0012 0.0153 98 LYS C CE 5079 N NZ . LYS C 96 ? 0.3537 0.3195 0.3520 -0.0081 0.0009 0.0147 98 LYS C NZ 5080 N N . VAL C 97 ? 0.3182 0.2887 0.3234 -0.0117 -0.0031 0.0179 99 VAL C N 5081 C CA . VAL C 97 ? 0.3386 0.3117 0.3462 -0.0125 -0.0042 0.0188 99 VAL C CA 5082 C C . VAL C 97 ? 0.3137 0.2894 0.3243 -0.0119 -0.0032 0.0195 99 VAL C C 5083 O O . VAL C 97 ? 0.2979 0.2746 0.3092 -0.0109 -0.0019 0.0193 99 VAL C O 5084 C CB . VAL C 97 ? 0.3490 0.3252 0.3577 -0.0132 -0.0055 0.0193 99 VAL C CB 5085 C CG1 . VAL C 97 ? 0.2552 0.2303 0.2618 -0.0131 -0.0056 0.0185 99 VAL C CG1 5086 C CG2 . VAL C 97 ? 0.2849 0.2658 0.2971 -0.0129 -0.0052 0.0200 99 VAL C CG2 5087 N N . ASP C 98 ? 0.3116 0.2880 0.3237 -0.0125 -0.0038 0.0203 100 ASP C N 5088 C CA . ASP C 98 ? 0.3291 0.3069 0.3435 -0.0121 -0.0030 0.0209 100 ASP C CA 5089 C C . ASP C 98 ? 0.3260 0.3076 0.3432 -0.0128 -0.0040 0.0219 100 ASP C C 5090 O O . ASP C 98 ? 0.3387 0.3200 0.3565 -0.0135 -0.0048 0.0225 100 ASP C O 5091 C CB . ASP C 98 ? 0.2691 0.2433 0.2823 -0.0121 -0.0026 0.0208 100 ASP C CB 5092 C CG . ASP C 98 ? 0.3617 0.3372 0.3774 -0.0116 -0.0016 0.0215 100 ASP C CG 5093 O OD1 . ASP C 98 ? 0.3442 0.3233 0.3623 -0.0113 -0.0012 0.0220 100 ASP C OD1 5094 O OD2 . ASP C 98 ? 0.4205 0.3933 0.4356 -0.0117 -0.0014 0.0216 100 ASP C OD2 5095 N N . TYR C 99 ? 0.2422 0.2273 0.2610 -0.0125 -0.0038 0.0222 101 TYR C N 5096 C CA . TYR C 99 ? 0.2406 0.2295 0.2618 -0.0130 -0.0047 0.0232 101 TYR C CA 5097 C C . TYR C 99 ? 0.2763 0.2676 0.3001 -0.0127 -0.0040 0.0239 101 TYR C C 5098 O O . TYR C 99 ? 0.2459 0.2379 0.2702 -0.0119 -0.0029 0.0237 101 TYR C O 5099 C CB . TYR C 99 ? 0.1940 0.1854 0.2154 -0.0129 -0.0049 0.0230 101 TYR C CB 5100 C CG . TYR C 99 ? 0.2250 0.2201 0.2488 -0.0134 -0.0057 0.0241 101 TYR C CG 5101 C CD1 . TYR C 99 ? 0.1853 0.1806 0.2096 -0.0144 -0.0070 0.0248 101 TYR C CD1 5102 C CD2 . TYR C 99 ? 0.1904 0.1888 0.2157 -0.0128 -0.0051 0.0243 101 TYR C CD2 5103 C CE1 . TYR C 99 ? 0.1688 0.1676 0.1953 -0.0148 -0.0076 0.0259 101 TYR C CE1 5104 C CE2 . TYR C 99 ? 0.2333 0.2350 0.2606 -0.0132 -0.0056 0.0253 101 TYR C CE2 5105 C CZ . TYR C 99 ? 0.2445 0.2464 0.2724 -0.0141 -0.0068 0.0261 101 TYR C CZ 5106 O OH . TYR C 99 ? 0.1938 0.1992 0.2238 -0.0144 -0.0073 0.0271 101 TYR C OH 5107 N N . LEU C 100 ? 0.3337 0.3262 0.3591 -0.0134 -0.0048 0.0249 102 LEU C N 5108 C CA . LEU C 100 ? 0.3278 0.3226 0.3556 -0.0132 -0.0043 0.0257 102 LEU C CA 5109 C C . LEU C 100 ? 0.2536 0.2525 0.2831 -0.0131 -0.0043 0.0262 102 LEU C C 5110 O O . LEU C 100 ? 0.3016 0.3028 0.3324 -0.0136 -0.0052 0.0270 102 LEU C O 5111 C CB . LEU C 100 ? 0.3435 0.3380 0.3724 -0.0140 -0.0051 0.0266 102 LEU C CB 5112 C CG . LEU C 100 ? 0.3895 0.3848 0.4204 -0.0138 -0.0044 0.0273 102 LEU C CG 5113 C CD1 . LEU C 100 ? 0.3970 0.3909 0.4284 -0.0145 -0.0051 0.0279 102 LEU C CD1 5114 C CD2 . LEU C 100 ? 0.3455 0.3449 0.3787 -0.0136 -0.0042 0.0281 102 LEU C CD2 5115 N N . TYR C 101 ? 0.2542 0.2539 0.2835 -0.0122 -0.0034 0.0257 103 TYR C N 5116 C CA . TYR C 101 ? 0.1842 0.1874 0.2149 -0.0120 -0.0033 0.0261 103 TYR C CA 5117 C C . TYR C 101 ? 0.2414 0.2470 0.2744 -0.0122 -0.0032 0.0271 103 TYR C C 5118 O O . TYR C 101 ? 0.1921 0.1969 0.2257 -0.0120 -0.0026 0.0273 103 TYR C O 5119 C CB . TYR C 101 ? 0.2049 0.2081 0.2349 -0.0111 -0.0023 0.0253 103 TYR C CB 5120 C CG . TYR C 101 ? 0.2468 0.2485 0.2748 -0.0109 -0.0022 0.0243 103 TYR C CG 5121 C CD1 . TYR C 101 ? 0.2225 0.2259 0.2503 -0.0109 -0.0026 0.0242 103 TYR C CD1 5122 C CD2 . TYR C 101 ? 0.1862 0.1845 0.2124 -0.0105 -0.0017 0.0236 103 TYR C CD2 5123 C CE1 . TYR C 101 ? 0.2204 0.2224 0.2464 -0.0107 -0.0026 0.0234 103 TYR C CE1 5124 C CE2 . TYR C 101 ? 0.2256 0.2225 0.2499 -0.0103 -0.0017 0.0227 103 TYR C CE2 5125 C CZ . TYR C 101 ? 0.2469 0.2457 0.2712 -0.0104 -0.0022 0.0226 103 TYR C CZ 5126 O OH . TYR C 101 ? 0.2639 0.2613 0.2864 -0.0102 -0.0022 0.0218 103 TYR C OH 5127 N N . GLN C 102 ? 0.2587 0.2671 0.2928 -0.0126 -0.0038 0.0279 104 GLN C N 5128 C CA . GLN C 102 ? 0.2754 0.2863 0.3115 -0.0127 -0.0037 0.0289 104 GLN C CA 5129 C C . GLN C 102 ? 0.2886 0.3027 0.3255 -0.0128 -0.0041 0.0294 104 GLN C C 5130 O O . GLN C 102 ? 0.2825 0.2969 0.3191 -0.0130 -0.0047 0.0294 104 GLN C O 5131 C CB . GLN C 102 ? 0.2173 0.2275 0.2545 -0.0133 -0.0042 0.0296 104 GLN C CB 5132 C CG . GLN C 102 ? 0.3015 0.3113 0.3387 -0.0141 -0.0054 0.0300 104 GLN C CG 5133 C CD . GLN C 102 ? 0.4850 0.4929 0.5226 -0.0147 -0.0058 0.0305 104 GLN C CD 5134 O OE1 . GLN C 102 ? 0.4485 0.4560 0.4869 -0.0145 -0.0052 0.0307 104 GLN C OE1 5135 N NE2 . GLN C 102 ? 0.3992 0.4060 0.4364 -0.0154 -0.0069 0.0306 104 GLN C NE2 5136 N N . GLY C 103 ? 0.3507 0.3671 0.3888 -0.0125 -0.0037 0.0299 105 GLY C N 5137 C CA . GLY C 103 ? 0.3139 0.3333 0.3527 -0.0126 -0.0039 0.0305 105 GLY C CA 5138 C C . GLY C 103 ? 0.3015 0.3228 0.3408 -0.0122 -0.0032 0.0307 105 GLY C C 5139 O O . GLY C 103 ? 0.2921 0.3125 0.3312 -0.0118 -0.0027 0.0303 105 GLY C O 5140 N N . CYS C 104 ? 0.2548 0.2787 0.2946 -0.0122 -0.0033 0.0313 106 CYS C N 5141 C CA . CYS C 104 ? 0.2674 0.2932 0.3075 -0.0119 -0.0028 0.0316 106 CYS C CA 5142 C C . CYS C 104 ? 0.2494 0.2765 0.2886 -0.0114 -0.0025 0.0312 106 CYS C C 5143 O O . CYS C 104 ? 0.2801 0.3079 0.3192 -0.0114 -0.0028 0.0313 106 CYS C O 5144 C CB . CYS C 104 ? 0.2839 0.3115 0.3256 -0.0123 -0.0031 0.0329 106 CYS C CB 5145 S SG . CYS C 104 ? 0.4105 0.4369 0.4535 -0.0128 -0.0033 0.0335 106 CYS C SG 5146 N N . GLY C 105 ? 0.2572 0.2848 0.2958 -0.0109 -0.0020 0.0309 107 GLY C N 5147 C CA . GLY C 105 ? 0.2315 0.2604 0.2691 -0.0105 -0.0016 0.0306 107 GLY C CA 5148 C C . GLY C 105 ? 0.2408 0.2695 0.2775 -0.0101 -0.0012 0.0301 107 GLY C C 5149 O O . GLY C 105 ? 0.3017 0.3288 0.3382 -0.0100 -0.0011 0.0295 107 GLY C O 5150 N N . LYS C 106 ? 0.3142 0.3446 0.3505 -0.0099 -0.0009 0.0304 108 LYS C N 5151 C CA . LYS C 106 ? 0.2978 0.3281 0.3332 -0.0096 -0.0006 0.0300 108 LYS C CA 5152 C C . LYS C 106 ? 0.3092 0.3381 0.3433 -0.0091 -0.0003 0.0288 108 LYS C C 5153 O O . LYS C 106 ? 0.3532 0.3812 0.3870 -0.0089 -0.0002 0.0284 108 LYS C O 5154 C CB . LYS C 106 ? 0.3329 0.3650 0.3677 -0.0095 -0.0004 0.0305 108 LYS C CB 5155 C CG . LYS C 106 ? 0.4492 0.4820 0.4845 -0.0099 -0.0006 0.0312 108 LYS C CG 5156 C CD . LYS C 106 ? 0.5344 0.5680 0.5682 -0.0097 -0.0004 0.0311 108 LYS C CD 5157 C CE . LYS C 106 ? 0.5272 0.5607 0.5612 -0.0101 -0.0007 0.0316 108 LYS C CE 5158 N NZ . LYS C 106 ? 0.5236 0.5573 0.5557 -0.0099 -0.0005 0.0313 108 LYS C NZ 5159 N N . GLU C 107 ? 0.2798 0.3088 0.3134 -0.0088 -0.0002 0.0284 109 GLU C N 5160 C CA . GLU C 107 ? 0.2604 0.2881 0.2930 -0.0083 0.0000 0.0273 109 GLU C CA 5161 C C . GLU C 107 ? 0.2604 0.2865 0.2933 -0.0085 -0.0003 0.0270 109 GLU C C 5162 O O . GLU C 107 ? 0.2946 0.3210 0.3282 -0.0088 -0.0006 0.0275 109 GLU C O 5163 C CB . GLU C 107 ? 0.2536 0.2822 0.2853 -0.0078 0.0003 0.0270 109 GLU C CB 5164 C CG . GLU C 107 ? 0.2897 0.3198 0.3208 -0.0077 0.0006 0.0273 109 GLU C CG 5165 C CD . GLU C 107 ? 0.3171 0.3482 0.3474 -0.0072 0.0010 0.0271 109 GLU C CD 5166 O OE1 . GLU C 107 ? 0.3447 0.3774 0.3755 -0.0072 0.0011 0.0279 109 GLU C OE1 5167 O OE2 . GLU C 107 ? 0.2573 0.2875 0.2866 -0.0067 0.0013 0.0262 109 GLU C OE2 5168 N N . LYS C 108 ? 0.2324 0.2567 0.2649 -0.0083 -0.0001 0.0262 110 LYS C N 5169 C CA . LYS C 108 ? 0.2318 0.2543 0.2643 -0.0084 -0.0003 0.0259 110 LYS C CA 5170 C C . LYS C 108 ? 0.2364 0.2577 0.2677 -0.0079 -0.0001 0.0249 110 LYS C C 5171 O O . LYS C 108 ? 0.2080 0.2293 0.2386 -0.0075 0.0003 0.0244 110 LYS C O 5172 C CB . LYS C 108 ? 0.2048 0.2258 0.2378 -0.0085 -0.0002 0.0260 110 LYS C CB 5173 C CG . LYS C 108 ? 0.2151 0.2372 0.2494 -0.0090 -0.0005 0.0271 110 LYS C CG 5174 C CD . LYS C 108 ? 0.2493 0.2703 0.2842 -0.0090 -0.0002 0.0273 110 LYS C CD 5175 C CE . LYS C 108 ? 0.2822 0.3042 0.3185 -0.0096 -0.0005 0.0284 110 LYS C CE 5176 N NZ . LYS C 108 ? 0.2388 0.2632 0.2753 -0.0097 -0.0006 0.0290 110 LYS C NZ 5177 N N . VAL C 109 ? 0.2202 0.2406 0.2512 -0.0081 -0.0003 0.0247 111 VAL C N 5178 C CA . VAL C 109 ? 0.1508 0.1700 0.1807 -0.0077 -0.0002 0.0238 111 VAL C CA 5179 C C . VAL C 109 ? 0.2599 0.2766 0.2893 -0.0079 -0.0003 0.0234 111 VAL C C 5180 O O . VAL C 109 ? 0.2488 0.2650 0.2785 -0.0084 -0.0008 0.0237 111 VAL C O 5181 C CB . VAL C 109 ? 0.1724 0.1927 0.2021 -0.0077 -0.0004 0.0238 111 VAL C CB 5182 C CG1 . VAL C 109 ? 0.1414 0.1606 0.1701 -0.0073 -0.0002 0.0228 111 VAL C CG1 5183 C CG2 . VAL C 109 ? 0.1901 0.2127 0.2202 -0.0074 -0.0001 0.0242 111 VAL C CG2 5184 N N . PHE C 110 ? 0.2269 0.2421 0.2557 -0.0074 0.0001 0.0228 112 PHE C N 5185 C CA . PHE C 110 ? 0.2452 0.2579 0.2734 -0.0074 0.0002 0.0223 112 PHE C CA 5186 C C . PHE C 110 ? 0.2668 0.2785 0.2937 -0.0072 0.0002 0.0215 112 PHE C C 5187 O O . PHE C 110 ? 0.2601 0.2718 0.2865 -0.0066 0.0006 0.0210 112 PHE C O 5188 C CB . PHE C 110 ? 0.2359 0.2474 0.2642 -0.0071 0.0007 0.0223 112 PHE C CB 5189 C CG . PHE C 110 ? 0.2397 0.2519 0.2694 -0.0075 0.0007 0.0232 112 PHE C CG 5190 C CD1 . PHE C 110 ? 0.2433 0.2577 0.2739 -0.0075 0.0006 0.0237 112 PHE C CD1 5191 C CD2 . PHE C 110 ? 0.2219 0.2325 0.2519 -0.0077 0.0007 0.0235 112 PHE C CD2 5192 C CE1 . PHE C 110 ? 0.2321 0.2472 0.2640 -0.0079 0.0006 0.0246 112 PHE C CE1 5193 C CE2 . PHE C 110 ? 0.2021 0.2133 0.2334 -0.0081 0.0006 0.0243 112 PHE C CE2 5194 C CZ . PHE C 110 ? 0.2324 0.2460 0.2647 -0.0081 0.0006 0.0249 112 PHE C CZ 5195 N N . TYR C 111 ? 0.2050 0.2158 0.2313 -0.0076 -0.0003 0.0215 113 TYR C N 5196 C CA . TYR C 111 ? 0.1735 0.1831 0.1985 -0.0074 -0.0004 0.0208 113 TYR C CA 5197 C C . TYR C 111 ? 0.1633 0.1701 0.1871 -0.0077 -0.0007 0.0205 113 TYR C C 5198 O O . TYR C 111 ? 0.1622 0.1686 0.1856 -0.0083 -0.0014 0.0206 113 TYR C O 5199 C CB . TYR C 111 ? 0.1596 0.1710 0.1849 -0.0077 -0.0009 0.0210 113 TYR C CB 5200 C CG . TYR C 111 ? 0.1816 0.1922 0.2058 -0.0075 -0.0011 0.0204 113 TYR C CG 5201 C CD1 . TYR C 111 ? 0.1553 0.1641 0.1783 -0.0070 -0.0006 0.0196 113 TYR C CD1 5202 C CD2 . TYR C 111 ? 0.1679 0.1795 0.1923 -0.0079 -0.0017 0.0208 113 TYR C CD2 5203 C CE1 . TYR C 111 ? 0.1422 0.1502 0.1642 -0.0069 -0.0007 0.0191 113 TYR C CE1 5204 C CE2 . TYR C 111 ? 0.1279 0.1387 0.1514 -0.0079 -0.0019 0.0203 113 TYR C CE2 5205 C CZ . TYR C 111 ? 0.2148 0.2238 0.2370 -0.0074 -0.0014 0.0194 113 TYR C CZ 5206 O OH . TYR C 111 ? 0.2229 0.2312 0.2441 -0.0073 -0.0016 0.0189 113 TYR C OH 5207 N N . GLU C 112 ? 0.1924 0.1973 0.2157 -0.0074 -0.0001 0.0202 114 GLU C N 5208 C CA . GLU C 112 ? 0.2172 0.2192 0.2391 -0.0076 -0.0001 0.0198 114 GLU C CA 5209 C C . GLU C 112 ? 0.2273 0.2275 0.2488 -0.0068 0.0009 0.0194 114 GLU C C 5210 O O . GLU C 112 ? 0.1946 0.1961 0.2170 -0.0063 0.0014 0.0195 114 GLU C O 5211 C CB . GLU C 112 ? 0.2136 0.2151 0.2360 -0.0083 -0.0007 0.0205 114 GLU C CB 5212 C CG . GLU C 112 ? 0.2420 0.2432 0.2654 -0.0081 -0.0002 0.0209 114 GLU C CG 5213 C CD . GLU C 112 ? 0.3368 0.3401 0.3616 -0.0076 0.0004 0.0212 114 GLU C CD 5214 O OE1 . GLU C 112 ? 0.5276 0.5334 0.5531 -0.0077 0.0002 0.0214 114 GLU C OE1 5215 O OE2 . GLU C 112 ? 0.2409 0.2433 0.2660 -0.0072 0.0012 0.0212 114 GLU C OE2 5216 N N . GLY C 113 ? 0.2470 0.2442 0.2668 -0.0068 0.0011 0.0190 115 GLY C N 5217 C CA . GLY C 113 ? 0.2457 0.2410 0.2650 -0.0060 0.0021 0.0187 115 GLY C CA 5218 C C . GLY C 113 ? 0.2420 0.2348 0.2591 -0.0058 0.0023 0.0179 115 GLY C C 5219 O O . GLY C 113 ? 0.2408 0.2310 0.2569 -0.0053 0.0031 0.0176 115 GLY C O 5220 N N . VAL C 114 ? 0.2402 0.2336 0.2566 -0.0061 0.0017 0.0175 116 VAL C N 5221 C CA . VAL C 114 ? 0.2000 0.1913 0.2143 -0.0058 0.0018 0.0168 116 VAL C CA 5222 C C . VAL C 114 ? 0.2939 0.2817 0.3061 -0.0062 0.0016 0.0165 116 VAL C C 5223 O O . VAL C 114 ? 0.3281 0.3134 0.3384 -0.0058 0.0022 0.0159 116 VAL C O 5224 C CB . VAL C 114 ? 0.2244 0.2172 0.2385 -0.0062 0.0010 0.0166 116 VAL C CB 5225 C CG1 . VAL C 114 ? 0.2118 0.2049 0.2259 -0.0072 -0.0003 0.0170 116 VAL C CG1 5226 C CG2 . VAL C 114 ? 0.2455 0.2366 0.2577 -0.0059 0.0012 0.0159 116 VAL C CG2 5227 N N . ASN C 115 ? 0.2425 0.2300 0.2549 -0.0069 0.0009 0.0169 117 ASN C N 5228 C CA . ASN C 115 ? 0.2378 0.2218 0.2480 -0.0074 0.0007 0.0167 117 ASN C CA 5229 C C . ASN C 115 ? 0.3294 0.3107 0.3388 -0.0067 0.0019 0.0164 117 ASN C C 5230 O O . ASN C 115 ? 0.3141 0.2919 0.3212 -0.0068 0.0019 0.0161 117 ASN C O 5231 C CB . ASN C 115 ? 0.2785 0.2630 0.2895 -0.0084 -0.0005 0.0173 117 ASN C CB 5232 C CG . ASN C 115 ? 0.2669 0.2527 0.2778 -0.0092 -0.0018 0.0174 117 ASN C CG 5233 O OD1 . ASN C 115 ? 0.2943 0.2786 0.3033 -0.0094 -0.0022 0.0169 117 ASN C OD1 5234 N ND2 . ASN C 115 ? 0.2408 0.2296 0.2539 -0.0097 -0.0025 0.0182 117 ASN C ND2 5235 N N . TRP C 116 ? 0.3173 0.2999 0.3284 -0.0059 0.0030 0.0167 118 TRP C N 5236 C CA . TRP C 116 ? 0.2731 0.2533 0.2835 -0.0050 0.0044 0.0165 118 TRP C CA 5237 C C . TRP C 116 ? 0.3045 0.2860 0.3155 -0.0041 0.0052 0.0164 118 TRP C C 5238 O O . TRP C 116 ? 0.3163 0.2998 0.3295 -0.0036 0.0057 0.0169 118 TRP C O 5239 C CB . TRP C 116 ? 0.2587 0.2389 0.2706 -0.0048 0.0049 0.0173 118 TRP C CB 5240 C CG . TRP C 116 ? 0.2921 0.2692 0.3030 -0.0040 0.0063 0.0171 118 TRP C CG 5241 C CD1 . TRP C 116 ? 0.3283 0.3031 0.3373 -0.0032 0.0073 0.0166 118 TRP C CD1 5242 C CD2 . TRP C 116 ? 0.3017 0.2775 0.3134 -0.0038 0.0071 0.0177 118 TRP C CD2 5243 N NE1 . TRP C 116 ? 0.3334 0.3057 0.3420 -0.0025 0.0086 0.0167 118 TRP C NE1 5244 C CE2 . TRP C 116 ? 0.3085 0.2813 0.3187 -0.0028 0.0085 0.0174 118 TRP C CE2 5245 C CE3 . TRP C 116 ? 0.3201 0.2971 0.3336 -0.0043 0.0067 0.0184 118 TRP C CE3 5246 C CZ2 . TRP C 116 ? 0.3255 0.2964 0.3361 -0.0024 0.0096 0.0179 118 TRP C CZ2 5247 C CZ3 . TRP C 116 ? 0.3068 0.2820 0.3207 -0.0039 0.0077 0.0189 118 TRP C CZ3 5248 C CH2 . TRP C 116 ? 0.3305 0.3026 0.3430 -0.0029 0.0091 0.0186 118 TRP C CH2 5249 N N . SER C 117 ? 0.3050 0.2852 0.3140 -0.0039 0.0052 0.0157 119 SER C N 5250 C CA . SER C 117 ? 0.2568 0.2376 0.2660 -0.0030 0.0060 0.0155 119 SER C CA 5251 C C . SER C 117 ? 0.3076 0.2848 0.3144 -0.0024 0.0069 0.0149 119 SER C C 5252 O O . SER C 117 ? 0.3058 0.2801 0.3106 -0.0027 0.0069 0.0147 119 SER C O 5253 C CB . SER C 117 ? 0.2550 0.2380 0.2644 -0.0034 0.0050 0.0152 119 SER C CB 5254 O OG . SER C 117 ? 0.2883 0.2746 0.3000 -0.0038 0.0044 0.0157 119 SER C OG 5255 N N . PRO C 118 ? 0.3272 0.3044 0.3339 -0.0015 0.0078 0.0148 120 PRO C N 5256 C CA . PRO C 118 ? 0.3111 0.2846 0.3152 -0.0009 0.0089 0.0143 120 PRO C CA 5257 C C . PRO C 118 ? 0.2982 0.2692 0.2992 -0.0015 0.0080 0.0136 120 PRO C C 5258 O O . PRO C 118 ? 0.3180 0.2854 0.3165 -0.0012 0.0087 0.0132 120 PRO C O 5259 C CB . PRO C 118 ? 0.2929 0.2674 0.2976 0.0001 0.0096 0.0143 120 PRO C CB 5260 C CG . PRO C 118 ? 0.3095 0.2876 0.3175 0.0001 0.0095 0.0149 120 PRO C CG 5261 C CD . PRO C 118 ? 0.2260 0.2060 0.2347 -0.0010 0.0081 0.0150 120 PRO C CD 5262 N N . GLU C 119 ? 0.3025 0.2752 0.3036 -0.0024 0.0066 0.0134 121 GLU C N 5263 C CA . GLU C 119 ? 0.3303 0.3010 0.3287 -0.0033 0.0056 0.0129 121 GLU C CA 5264 C C . GLU C 119 ? 0.3708 0.3384 0.3675 -0.0038 0.0053 0.0128 121 GLU C C 5265 O O . GLU C 119 ? 0.3710 0.3353 0.3646 -0.0041 0.0051 0.0123 121 GLU C O 5266 C CB . GLU C 119 ? 0.3123 0.2860 0.3119 -0.0042 0.0040 0.0130 121 GLU C CB 5267 C CG . GLU C 119 ? 0.3269 0.2987 0.3240 -0.0052 0.0028 0.0127 121 GLU C CG 5268 C CD . GLU C 119 ? 0.4045 0.3745 0.3993 -0.0049 0.0030 0.0120 121 GLU C CD 5269 O OE1 . GLU C 119 ? 0.3007 0.2714 0.2961 -0.0039 0.0041 0.0119 121 GLU C OE1 5270 O OE2 . GLU C 119 ? 0.4085 0.3764 0.4008 -0.0056 0.0020 0.0117 121 GLU C OE2 5271 N N . ALA C 120 ? 0.3128 0.2815 0.3114 -0.0039 0.0054 0.0134 122 ALA C N 5272 C CA . ALA C 120 ? 0.3101 0.2763 0.3075 -0.0045 0.0050 0.0134 122 ALA C CA 5273 C C . ALA C 120 ? 0.3221 0.2838 0.3166 -0.0038 0.0063 0.0130 122 ALA C C 5274 O O . ALA C 120 ? 0.3388 0.2975 0.3312 -0.0044 0.0059 0.0127 122 ALA C O 5275 C CB . ALA C 120 ? 0.3056 0.2740 0.3059 -0.0046 0.0050 0.0142 122 ALA C CB 5276 N N . GLY C 121 ? 0.4140 0.3754 0.4088 -0.0026 0.0078 0.0129 123 GLY C N 5277 C CA . GLY C 121 ? 0.4044 0.3617 0.3967 -0.0018 0.0093 0.0126 123 GLY C CA 5278 C C . GLY C 121 ? 0.4474 0.4027 0.4397 -0.0017 0.0099 0.0129 123 GLY C C 5279 O O . GLY C 121 ? 0.4929 0.4441 0.4823 -0.0014 0.0106 0.0125 123 GLY C O 5280 N N . ILE C 122 ? 0.2939 0.2522 0.2896 -0.0019 0.0097 0.0137 124 ILE C N 5281 C CA . ILE C 122 ? 0.2889 0.2456 0.2851 -0.0017 0.0104 0.0142 124 ILE C CA 5282 C C . ILE C 122 ? 0.3101 0.2658 0.3070 -0.0003 0.0124 0.0145 124 ILE C C 5283 O O . ILE C 122 ? 0.2511 0.2096 0.2506 0.0003 0.0130 0.0151 124 ILE C O 5284 C CB . ILE C 122 ? 0.2670 0.2273 0.2665 -0.0024 0.0094 0.0150 124 ILE C CB 5285 C CG1 . ILE C 122 ? 0.2709 0.2319 0.2698 -0.0038 0.0074 0.0147 124 ILE C CG1 5286 C CG2 . ILE C 122 ? 0.2537 0.2126 0.2542 -0.0022 0.0102 0.0155 124 ILE C CG2 5287 C CD1 . ILE C 122 ? 0.2141 0.1793 0.2163 -0.0045 0.0064 0.0155 124 ILE C CD1 5288 N N . ASP C 123 ? 0.3838 0.3353 0.3782 0.0003 0.0136 0.0143 125 ASP C N 5289 C CA . ASP C 123 ? 0.4079 0.3581 0.4028 0.0017 0.0157 0.0147 125 ASP C CA 5290 C C . ASP C 123 ? 0.4038 0.3545 0.4014 0.0019 0.0164 0.0157 125 ASP C C 5291 O O . ASP C 123 ? 0.3696 0.3239 0.3708 0.0021 0.0165 0.0166 125 ASP C O 5292 C CB . ASP C 123 ? 0.4807 0.4259 0.4715 0.0024 0.0169 0.0139 125 ASP C CB 5293 C CG . ASP C 123 ? 0.5028 0.4469 0.4942 0.0040 0.0192 0.0145 125 ASP C CG 5294 O OD1 . ASP C 123 ? 0.4427 0.3896 0.4378 0.0046 0.0199 0.0155 125 ASP C OD1 5295 O OD2 . ASP C 123 ? 0.4836 0.4239 0.4716 0.0048 0.0203 0.0139 125 ASP C OD2 5296 N N . CYS C 124 ? 0.3969 0.3440 0.3925 0.0018 0.0168 0.0155 126 CYS C N 5297 C CA . CYS C 124 ? 0.4106 0.3578 0.4084 0.0019 0.0173 0.0163 126 CYS C CA 5298 C C . CYS C 124 ? 0.4177 0.3665 0.4186 0.0031 0.0190 0.0175 126 CYS C C 5299 O O . CYS C 124 ? 0.3990 0.3505 0.4034 0.0029 0.0189 0.0185 126 CYS C O 5300 C CB . CYS C 124 ? 0.3701 0.3207 0.3703 0.0006 0.0154 0.0167 126 CYS C CB 5301 S SG . CYS C 124 ? 0.4268 0.3758 0.4240 -0.0010 0.0133 0.0158 126 CYS C SG 5302 N N . PHE C 125 ? 0.3634 0.3106 0.3632 0.0044 0.0206 0.0174 127 PHE C N 5303 C CA . PHE C 125 ? 0.3929 0.3411 0.3954 0.0057 0.0224 0.0185 127 PHE C CA 5304 C C . PHE C 125 ? 0.4167 0.3699 0.4230 0.0055 0.0217 0.0193 127 PHE C C 5305 O O . PHE C 125 ? 0.4516 0.4063 0.4608 0.0063 0.0228 0.0204 127 PHE C O 5306 C CB . PHE C 125 ? 0.4453 0.3923 0.4494 0.0060 0.0235 0.0195 127 PHE C CB 5307 C CG . PHE C 125 ? 0.3983 0.3400 0.3990 0.0066 0.0248 0.0189 127 PHE C CG 5308 C CD1 . PHE C 125 ? 0.4515 0.3899 0.4490 0.0077 0.0262 0.0183 127 PHE C CD1 5309 C CD2 . PHE C 125 ? 0.4169 0.3568 0.4173 0.0062 0.0247 0.0190 127 PHE C CD2 5310 C CE1 . PHE C 125 ? 0.4620 0.3952 0.4559 0.0083 0.0274 0.0177 127 PHE C CE1 5311 C CE2 . PHE C 125 ? 0.4592 0.3939 0.4562 0.0067 0.0259 0.0184 127 PHE C CE2 5312 C CZ . PHE C 125 ? 0.4561 0.3874 0.4497 0.0078 0.0273 0.0178 127 PHE C CZ 5313 N N . GLY C 126 ? 0.4171 0.3728 0.4234 0.0044 0.0199 0.0187 128 GLY C N 5314 C CA . GLY C 126 ? 0.3583 0.3186 0.3678 0.0041 0.0190 0.0193 128 GLY C CA 5315 C C . GLY C 126 ? 0.4017 0.3630 0.4124 0.0052 0.0202 0.0198 128 GLY C C 5316 O O . GLY C 126 ? 0.3984 0.3583 0.4070 0.0057 0.0206 0.0192 128 GLY C O 5317 N N . SER C 127 ? 0.3561 0.3199 0.3705 0.0055 0.0207 0.0211 129 SER C N 5318 C CA . SER C 127 ? 0.3882 0.3533 0.4043 0.0065 0.0216 0.0218 129 SER C CA 5319 C C . SER C 127 ? 0.4114 0.3792 0.4275 0.0060 0.0203 0.0212 129 SER C C 5320 O O . SER C 127 ? 0.3211 0.2880 0.3358 0.0066 0.0208 0.0208 129 SER C O 5321 C CB . SER C 127 ? 0.3173 0.2847 0.3374 0.0067 0.0221 0.0234 129 SER C CB 5322 O OG . SER C 127 ? 0.3765 0.3459 0.3986 0.0073 0.0225 0.0242 129 SER C OG 5323 N N . ASN C 128 ? 0.3849 0.3556 0.4023 0.0049 0.0187 0.0212 130 ASN C N 5324 C CA . ASN C 128 ? 0.3407 0.3140 0.3582 0.0043 0.0174 0.0207 130 ASN C CA 5325 C C . ASN C 128 ? 0.3521 0.3275 0.3702 0.0031 0.0157 0.0204 130 ASN C C 5326 O O . ASN C 128 ? 0.2966 0.2748 0.3173 0.0027 0.0151 0.0212 130 ASN C O 5327 C CB . ASN C 128 ? 0.2857 0.2615 0.3059 0.0049 0.0177 0.0216 130 ASN C CB 5328 C CG . ASN C 128 ? 0.3263 0.3046 0.3466 0.0044 0.0164 0.0210 130 ASN C CG 5329 O OD1 . ASN C 128 ? 0.3110 0.2894 0.3295 0.0037 0.0153 0.0200 130 ASN C OD1 5330 N ND2 . ASN C 128 ? 0.3551 0.3355 0.3775 0.0048 0.0165 0.0217 130 ASN C ND2 5331 N N . TRP C 129 ? 0.2951 0.2692 0.3106 0.0024 0.0148 0.0194 131 TRP C N 5332 C CA . TRP C 129 ? 0.3004 0.2762 0.3164 0.0012 0.0133 0.0192 131 TRP C CA 5333 C C . TRP C 129 ? 0.3027 0.2822 0.3203 0.0007 0.0122 0.0193 131 TRP C C 5334 O O . TRP C 129 ? 0.2519 0.2338 0.2710 0.0000 0.0112 0.0197 131 TRP C O 5335 C CB . TRP C 129 ? 0.2860 0.2595 0.2989 0.0006 0.0126 0.0182 131 TRP C CB 5336 C CG . TRP C 129 ? 0.3113 0.2812 0.3225 0.0008 0.0133 0.0182 131 TRP C CG 5337 C CD1 . TRP C 129 ? 0.3096 0.2757 0.3177 0.0012 0.0140 0.0174 131 TRP C CD1 5338 C CD2 . TRP C 129 ? 0.3475 0.3171 0.3601 0.0005 0.0135 0.0189 131 TRP C CD2 5339 N NE1 . TRP C 129 ? 0.3490 0.3123 0.3562 0.0012 0.0146 0.0176 131 TRP C NE1 5340 C CE2 . TRP C 129 ? 0.3524 0.3180 0.3626 0.0008 0.0143 0.0185 131 TRP C CE2 5341 C CE3 . TRP C 129 ? 0.3316 0.3041 0.3472 0.0001 0.0130 0.0198 131 TRP C CE3 5342 C CZ2 . TRP C 129 ? 0.3401 0.3043 0.3508 0.0007 0.0147 0.0190 131 TRP C CZ2 5343 C CZ3 . TRP C 129 ? 0.3030 0.2743 0.3194 0.0000 0.0134 0.0204 131 TRP C CZ3 5344 C CH2 . TRP C 129 ? 0.3685 0.3357 0.3824 0.0003 0.0142 0.0200 131 TRP C CH2 5345 N N . THR C 130 ? 0.2951 0.2753 0.3124 0.0012 0.0123 0.0190 132 THR C N 5346 C CA . THR C 130 ? 0.2765 0.2600 0.2953 0.0009 0.0114 0.0191 132 THR C CA 5347 C C . THR C 130 ? 0.2872 0.2730 0.3090 0.0009 0.0116 0.0202 132 THR C C 5348 O O . THR C 130 ? 0.2725 0.2610 0.2957 0.0003 0.0106 0.0204 132 THR C O 5349 C CB . THR C 130 ? 0.2510 0.2346 0.2691 0.0015 0.0117 0.0186 132 THR C CB 5350 O OG1 . THR C 130 ? 0.2710 0.2525 0.2862 0.0013 0.0115 0.0176 132 THR C OG1 5351 C CG2 . THR C 130 ? 0.2307 0.2175 0.2502 0.0011 0.0108 0.0186 132 THR C CG2 5352 N N . GLN C 131 ? 0.3446 0.3291 0.3674 0.0017 0.0128 0.0210 133 GLN C N 5353 C CA . GLN C 131 ? 0.3100 0.2964 0.3357 0.0017 0.0130 0.0222 133 GLN C CA 5354 C C . GLN C 131 ? 0.3339 0.3209 0.3605 0.0010 0.0124 0.0226 133 GLN C C 5355 O O . GLN C 131 ? 0.3073 0.2969 0.3357 0.0004 0.0116 0.0232 133 GLN C O 5356 C CB . GLN C 131 ? 0.3403 0.3252 0.3669 0.0028 0.0145 0.0230 133 GLN C CB 5357 C CG . GLN C 131 ? 0.3450 0.3314 0.3747 0.0027 0.0147 0.0245 133 GLN C CG 5358 C CD . GLN C 131 ? 0.4510 0.4406 0.4828 0.0024 0.0138 0.0251 133 GLN C CD 5359 O OE1 . GLN C 131 ? 0.5122 0.5028 0.5431 0.0023 0.0132 0.0243 133 GLN C OE1 5360 N NE2 . GLN C 131 ? 0.6563 0.6472 0.6906 0.0023 0.0138 0.0264 133 GLN C NE2 5361 N N . THR C 132 ? 0.2047 0.1892 0.2298 0.0009 0.0127 0.0223 134 THR C N 5362 C CA . THR C 132 ? 0.2312 0.2160 0.2568 0.0002 0.0122 0.0226 134 THR C CA 5363 C C . THR C 132 ? 0.2384 0.2259 0.2642 -0.0008 0.0106 0.0222 134 THR C C 5364 O O . THR C 132 ? 0.2551 0.2447 0.2827 -0.0014 0.0100 0.0229 134 THR C O 5365 C CB . THR C 132 ? 0.2916 0.2730 0.3150 0.0002 0.0126 0.0221 134 THR C CB 5366 O OG1 . THR C 132 ? 0.2672 0.2459 0.2900 0.0012 0.0142 0.0223 134 THR C OG1 5367 C CG2 . THR C 132 ? 0.2071 0.1888 0.2315 -0.0005 0.0121 0.0226 134 THR C CG2 5368 N N . LYS C 133 ? 0.2755 0.2626 0.2992 -0.0010 0.0100 0.0212 135 LYS C N 5369 C CA . LYS C 133 ? 0.2411 0.2306 0.2648 -0.0018 0.0087 0.0209 135 LYS C CA 5370 C C . LYS C 133 ? 0.2609 0.2536 0.2867 -0.0020 0.0082 0.0215 135 LYS C C 5371 O O . LYS C 133 ? 0.1900 0.1847 0.2169 -0.0027 0.0074 0.0218 135 LYS C O 5372 C CB . LYS C 133 ? 0.2270 0.2157 0.2486 -0.0018 0.0084 0.0198 135 LYS C CB 5373 C CG . LYS C 133 ? 0.1932 0.1838 0.2144 -0.0026 0.0071 0.0194 135 LYS C CG 5374 C CD . LYS C 133 ? 0.1734 0.1627 0.1923 -0.0025 0.0068 0.0184 135 LYS C CD 5375 C CE . LYS C 133 ? 0.2271 0.2183 0.2458 -0.0033 0.0056 0.0181 135 LYS C CE 5376 N NZ . LYS C 133 ? 0.2010 0.1905 0.2174 -0.0034 0.0053 0.0173 135 LYS C NZ 5377 N N . LYS C 134 ? 0.2524 0.2455 0.2788 -0.0013 0.0087 0.0215 136 LYS C N 5378 C CA . LYS C 134 ? 0.2158 0.2117 0.2440 -0.0014 0.0083 0.0221 136 LYS C CA 5379 C C . LYS C 134 ? 0.2624 0.2595 0.2928 -0.0018 0.0083 0.0232 136 LYS C C 5380 O O . LYS C 134 ? 0.2149 0.2143 0.2463 -0.0023 0.0074 0.0236 136 LYS C O 5381 C CB . LYS C 134 ? 0.2566 0.2523 0.2851 -0.0006 0.0090 0.0222 136 LYS C CB 5382 C CG . LYS C 134 ? 0.2726 0.2709 0.3025 -0.0008 0.0084 0.0226 136 LYS C CG 5383 C CD . LYS C 134 ? 0.2354 0.2333 0.2657 0.0000 0.0090 0.0227 136 LYS C CD 5384 C CE . LYS C 134 ? 0.2750 0.2752 0.3067 -0.0002 0.0083 0.0232 136 LYS C CE 5385 N NZ . LYS C 134 ? 0.2963 0.2962 0.3283 0.0005 0.0088 0.0233 136 LYS C NZ 5386 N N . ASP C 135 ? 0.2998 0.2952 0.3308 -0.0014 0.0092 0.0239 137 ASP C N 5387 C CA . ASP C 135 ? 0.3032 0.2995 0.3364 -0.0017 0.0092 0.0251 137 ASP C CA 5388 C C . ASP C 135 ? 0.3210 0.3180 0.3541 -0.0025 0.0084 0.0251 137 ASP C C 5389 O O . ASP C 135 ? 0.2835 0.2827 0.3182 -0.0031 0.0077 0.0258 137 ASP C O 5390 C CB . ASP C 135 ? 0.3393 0.3334 0.3732 -0.0010 0.0105 0.0258 137 ASP C CB 5391 C CG . ASP C 135 ? 0.4351 0.4288 0.4696 -0.0001 0.0114 0.0261 137 ASP C CG 5392 O OD1 . ASP C 135 ? 0.4774 0.4728 0.5121 -0.0001 0.0108 0.0259 137 ASP C OD1 5393 O OD2 . ASP C 135 ? 0.4508 0.4425 0.4857 0.0006 0.0126 0.0266 137 ASP C OD2 5394 N N . PHE C 136 ? 0.2641 0.2594 0.2954 -0.0027 0.0083 0.0243 138 PHE C N 5395 C CA . PHE C 136 ? 0.2169 0.2127 0.2481 -0.0035 0.0075 0.0243 138 PHE C CA 5396 C C . PHE C 136 ? 0.2068 0.2054 0.2382 -0.0041 0.0064 0.0242 138 PHE C C 5397 O O . PHE C 136 ? 0.2374 0.2379 0.2702 -0.0047 0.0058 0.0249 138 PHE C O 5398 C CB . PHE C 136 ? 0.2025 0.1957 0.2314 -0.0036 0.0075 0.0234 138 PHE C CB 5399 C CG . PHE C 136 ? 0.2037 0.1976 0.2324 -0.0045 0.0065 0.0234 138 PHE C CG 5400 C CD1 . PHE C 136 ? 0.2414 0.2352 0.2714 -0.0049 0.0064 0.0242 138 PHE C CD1 5401 C CD2 . PHE C 136 ? 0.2025 0.1970 0.2299 -0.0049 0.0056 0.0226 138 PHE C CD2 5402 C CE1 . PHE C 136 ? 0.2453 0.2398 0.2752 -0.0057 0.0055 0.0242 138 PHE C CE1 5403 C CE2 . PHE C 136 ? 0.2119 0.2070 0.2392 -0.0057 0.0046 0.0228 138 PHE C CE2 5404 C CZ . PHE C 136 ? 0.2158 0.2110 0.2444 -0.0061 0.0046 0.0235 138 PHE C CZ 5405 N N . TYR C 137 ? 0.2269 0.2260 0.2571 -0.0040 0.0061 0.0234 139 TYR C N 5406 C CA . TYR C 137 ? 0.2526 0.2541 0.2828 -0.0045 0.0051 0.0232 139 TYR C CA 5407 C C . TYR C 137 ? 0.2715 0.2753 0.3034 -0.0046 0.0050 0.0239 139 TYR C C 5408 O O . TYR C 137 ? 0.2667 0.2727 0.2991 -0.0051 0.0042 0.0241 139 TYR C O 5409 C CB . TYR C 137 ? 0.2328 0.2342 0.2614 -0.0044 0.0049 0.0222 139 TYR C CB 5410 C CG . TYR C 137 ? 0.2515 0.2514 0.2785 -0.0047 0.0045 0.0216 139 TYR C CG 5411 C CD1 . TYR C 137 ? 0.2542 0.2554 0.2813 -0.0054 0.0037 0.0217 139 TYR C CD1 5412 C CD2 . TYR C 137 ? 0.2241 0.2212 0.2495 -0.0043 0.0051 0.0210 139 TYR C CD2 5413 C CE1 . TYR C 137 ? 0.2114 0.2112 0.2371 -0.0058 0.0032 0.0213 139 TYR C CE1 5414 C CE2 . TYR C 137 ? 0.2076 0.2031 0.2314 -0.0047 0.0047 0.0205 139 TYR C CE2 5415 C CZ . TYR C 137 ? 0.2275 0.2244 0.2516 -0.0055 0.0037 0.0207 139 TYR C CZ 5416 O OH . TYR C 137 ? 0.1813 0.1766 0.2039 -0.0060 0.0031 0.0203 139 TYR C OH 5417 N N . SER C 138 ? 0.2436 0.2469 0.2764 -0.0040 0.0056 0.0244 140 SER C N 5418 C CA . SER C 138 ? 0.2752 0.2803 0.3095 -0.0041 0.0054 0.0252 140 SER C CA 5419 C C . SER C 138 ? 0.2253 0.2316 0.2611 -0.0048 0.0050 0.0262 140 SER C C 5420 O O . SER C 138 ? 0.2161 0.2245 0.2525 -0.0052 0.0044 0.0265 140 SER C O 5421 C CB . SER C 138 ? 0.2527 0.2570 0.2880 -0.0035 0.0062 0.0256 140 SER C CB 5422 O OG . SER C 138 ? 0.3447 0.3486 0.3789 -0.0030 0.0063 0.0249 140 SER C OG 5423 N N . ARG C 139 ? 0.2972 0.3021 0.3336 -0.0047 0.0055 0.0266 141 ARG C N 5424 C CA . ARG C 139 ? 0.2961 0.3020 0.3341 -0.0053 0.0052 0.0276 141 ARG C CA 5425 C C . ARG C 139 ? 0.2598 0.2670 0.2972 -0.0060 0.0044 0.0273 141 ARG C C 5426 O O . ARG C 139 ? 0.2879 0.2971 0.3263 -0.0066 0.0038 0.0280 141 ARG C O 5427 C CB . ARG C 139 ? 0.2784 0.2822 0.3171 -0.0051 0.0060 0.0281 141 ARG C CB 5428 C CG . ARG C 139 ? 0.3283 0.3307 0.3677 -0.0043 0.0071 0.0285 141 ARG C CG 5429 C CD . ARG C 139 ? 0.4133 0.4174 0.4540 -0.0042 0.0069 0.0292 141 ARG C CD 5430 N NE . ARG C 139 ? 0.5264 0.5291 0.5678 -0.0034 0.0079 0.0296 141 ARG C NE 5431 C CZ . ARG C 139 ? 0.5374 0.5387 0.5775 -0.0027 0.0085 0.0288 141 ARG C CZ 5432 N NH1 . ARG C 139 ? 0.6055 0.6057 0.6465 -0.0019 0.0094 0.0294 141 ARG C NH1 5433 N NH2 . ARG C 139 ? 0.5515 0.5526 0.5894 -0.0027 0.0081 0.0275 141 ARG C NH2 5434 N N . ILE C 140 ? 0.1948 0.2009 0.2305 -0.0060 0.0043 0.0264 142 ILE C N 5435 C CA . ILE C 140 ? 0.1708 0.1780 0.2059 -0.0066 0.0034 0.0261 142 ILE C CA 5436 C C . ILE C 140 ? 0.1794 0.1892 0.2146 -0.0068 0.0028 0.0262 142 ILE C C 5437 O O . ILE C 140 ? 0.1682 0.1799 0.2042 -0.0074 0.0023 0.0267 142 ILE C O 5438 C CB . ILE C 140 ? 0.2038 0.2095 0.2371 -0.0065 0.0034 0.0251 142 ILE C CB 5439 C CG1 . ILE C 140 ? 0.2217 0.2246 0.2545 -0.0064 0.0038 0.0250 142 ILE C CG1 5440 C CG2 . ILE C 140 ? 0.1366 0.1439 0.1694 -0.0071 0.0025 0.0250 142 ILE C CG2 5441 C CD1 . ILE C 140 ? 0.1378 0.1409 0.1714 -0.0071 0.0034 0.0257 142 ILE C CD1 5442 N N . TYR C 141 ? 0.1571 0.1671 0.1915 -0.0064 0.0030 0.0256 143 TYR C N 5443 C CA . TYR C 141 ? 0.1864 0.1984 0.2205 -0.0065 0.0025 0.0254 143 TYR C CA 5444 C C . TYR C 141 ? 0.1790 0.1927 0.2145 -0.0068 0.0023 0.0264 143 TYR C C 5445 O O . TYR C 141 ? 0.2121 0.2276 0.2476 -0.0072 0.0017 0.0266 143 TYR C O 5446 C CB . TYR C 141 ? 0.1975 0.2091 0.2306 -0.0060 0.0027 0.0246 143 TYR C CB 5447 C CG . TYR C 141 ? 0.1910 0.2012 0.2226 -0.0057 0.0029 0.0237 143 TYR C CG 5448 C CD1 . TYR C 141 ? 0.2079 0.2176 0.2390 -0.0060 0.0026 0.0235 143 TYR C CD1 5449 C CD2 . TYR C 141 ? 0.2040 0.2133 0.2348 -0.0051 0.0033 0.0230 143 TYR C CD2 5450 C CE1 . TYR C 141 ? 0.2005 0.2089 0.2302 -0.0059 0.0027 0.0227 143 TYR C CE1 5451 C CE2 . TYR C 141 ? 0.2000 0.2079 0.2294 -0.0049 0.0034 0.0221 143 TYR C CE2 5452 C CZ . TYR C 141 ? 0.1960 0.2035 0.2249 -0.0053 0.0031 0.0220 143 TYR C CZ 5453 O OH . TYR C 141 ? 0.1909 0.1969 0.2183 -0.0052 0.0031 0.0212 143 TYR C OH 5454 N N . GLU C 142 ? 0.3030 0.3159 0.3397 -0.0067 0.0027 0.0271 144 GLU C N 5455 C CA . GLU C 142 ? 0.3581 0.3723 0.3962 -0.0070 0.0024 0.0281 144 GLU C CA 5456 C C . GLU C 142 ? 0.3323 0.3476 0.3714 -0.0077 0.0020 0.0289 144 GLU C C 5457 O O . GLU C 142 ? 0.3528 0.3698 0.3923 -0.0081 0.0015 0.0295 144 GLU C O 5458 C CB . GLU C 142 ? 0.3581 0.3712 0.3974 -0.0067 0.0029 0.0288 144 GLU C CB 5459 C CG . GLU C 142 ? 0.4308 0.4451 0.4720 -0.0071 0.0026 0.0301 144 GLU C CG 5460 C CD . GLU C 142 ? 0.5674 0.5805 0.6101 -0.0068 0.0033 0.0309 144 GLU C CD 5461 O OE1 . GLU C 142 ? 0.6082 0.6197 0.6504 -0.0061 0.0040 0.0304 144 GLU C OE1 5462 O OE2 . GLU C 142 ? 0.5868 0.6007 0.6312 -0.0071 0.0031 0.0322 144 GLU C OE2 5463 N N . ALA C 143 ? 0.2154 0.2296 0.2547 -0.0077 0.0022 0.0290 145 ALA C N 5464 C CA . ALA C 143 ? 0.2774 0.2926 0.3177 -0.0084 0.0019 0.0297 145 ALA C CA 5465 C C . ALA C 143 ? 0.2404 0.2571 0.2798 -0.0087 0.0012 0.0294 145 ALA C C 5466 O O . ALA C 143 ? 0.2547 0.2732 0.2948 -0.0092 0.0008 0.0301 145 ALA C O 5467 C CB . ALA C 143 ? 0.2144 0.2276 0.2551 -0.0083 0.0023 0.0298 145 ALA C CB 5468 N N . ALA C 144 ? 0.2558 0.2719 0.2938 -0.0085 0.0013 0.0284 146 ALA C N 5469 C CA . ALA C 144 ? 0.2788 0.2962 0.3159 -0.0087 0.0008 0.0281 146 ALA C CA 5470 C C . ALA C 144 ? 0.2493 0.2689 0.2862 -0.0088 0.0005 0.0283 146 ALA C C 5471 O O . ALA C 144 ? 0.2444 0.2655 0.2812 -0.0091 0.0001 0.0286 146 ALA C O 5472 C CB . ALA C 144 ? 0.1972 0.2134 0.2328 -0.0084 0.0009 0.0270 146 ALA C CB 5473 N N . ARG C 145 ? 0.2794 0.2988 0.3160 -0.0085 0.0007 0.0281 147 ARG C N 5474 C CA . ARG C 145 ? 0.3252 0.3461 0.3612 -0.0085 0.0004 0.0281 147 ARG C CA 5475 C C . ARG C 145 ? 0.3227 0.3453 0.3595 -0.0091 0.0000 0.0292 147 ARG C C 5476 O O . ARG C 145 ? 0.2702 0.2942 0.3063 -0.0093 -0.0003 0.0292 147 ARG C O 5477 C CB . ARG C 145 ? 0.3530 0.3731 0.3889 -0.0082 0.0006 0.0280 147 ARG C CB 5478 C CG . ARG C 145 ? 0.4586 0.4799 0.4944 -0.0085 0.0002 0.0285 147 ARG C CG 5479 C CD . ARG C 145 ? 0.4854 0.5076 0.5195 -0.0083 0.0000 0.0278 147 ARG C CD 5480 N NE . ARG C 145 ? 0.4406 0.4637 0.4743 -0.0086 -0.0004 0.0282 147 ARG C NE 5481 C CZ . ARG C 145 ? 0.4577 0.4822 0.4906 -0.0089 -0.0007 0.0284 147 ARG C CZ 5482 N NH1 . ARG C 145 ? 0.5415 0.5664 0.5736 -0.0091 -0.0011 0.0287 147 ARG C NH1 5483 N NH2 . ARG C 145 ? 0.4744 0.4996 0.5070 -0.0089 -0.0005 0.0283 147 ARG C NH2 5484 N N . SER C 146 ? 0.2664 0.2887 0.3048 -0.0095 0.0000 0.0301 148 SER C N 5485 C CA . SER C 146 ? 0.3085 0.3324 0.3479 -0.0101 -0.0004 0.0312 148 SER C CA 5486 C C . SER C 146 ? 0.3142 0.3387 0.3544 -0.0104 -0.0006 0.0316 148 SER C C 5487 O O . SER C 146 ? 0.2975 0.3232 0.3386 -0.0109 -0.0009 0.0326 148 SER C O 5488 C CB . SER C 146 ? 0.3000 0.3234 0.3410 -0.0103 -0.0004 0.0321 148 SER C CB 5489 O OG . SER C 146 ? 0.3230 0.3455 0.3635 -0.0099 -0.0003 0.0318 148 SER C OG 5490 N N . SER C 147 ? 0.2356 0.2591 0.2753 -0.0102 -0.0004 0.0310 149 SER C N 5491 C CA . SER C 147 ? 0.2337 0.2574 0.2743 -0.0106 -0.0006 0.0314 149 SER C CA 5492 C C . SER C 147 ? 0.2571 0.2820 0.2967 -0.0106 -0.0008 0.0311 149 SER C C 5493 O O . SER C 147 ? 0.2535 0.2783 0.2918 -0.0102 -0.0007 0.0303 149 SER C O 5494 C CB . SER C 147 ? 0.2546 0.2760 0.2953 -0.0104 -0.0003 0.0310 149 SER C CB 5495 O OG . SER C 147 ? 0.2491 0.2705 0.2904 -0.0108 -0.0006 0.0313 149 SER C OG 5496 N N . THR C 148 ? 0.3273 0.3533 0.3679 -0.0111 -0.0012 0.0319 150 THR C N 5497 C CA . THR C 148 ? 0.3091 0.3363 0.3492 -0.0111 -0.0014 0.0319 150 THR C CA 5498 C C . THR C 148 ? 0.3002 0.3259 0.3402 -0.0111 -0.0015 0.0314 150 THR C C 5499 O O . THR C 148 ? 0.3158 0.3417 0.3551 -0.0110 -0.0016 0.0310 150 THR C O 5500 C CB . THR C 148 ? 0.3022 0.3315 0.3435 -0.0116 -0.0017 0.0330 150 THR C CB 5501 O OG1 . THR C 148 ? 0.3533 0.3837 0.3943 -0.0116 -0.0016 0.0334 150 THR C OG1 5502 C CG2 . THR C 148 ? 0.2729 0.3035 0.3139 -0.0116 -0.0019 0.0332 150 THR C CG2 5503 N N . CYS C 149 ? 0.2883 0.3124 0.3291 -0.0113 -0.0015 0.0316 151 CYS C N 5504 C CA . CYS C 149 ? 0.2894 0.3118 0.3300 -0.0115 -0.0017 0.0312 151 CYS C CA 5505 C C . CYS C 149 ? 0.2479 0.2675 0.2879 -0.0112 -0.0013 0.0305 151 CYS C C 5506 O O . CYS C 149 ? 0.2323 0.2515 0.2726 -0.0109 -0.0008 0.0305 151 CYS C O 5507 C CB . CYS C 149 ? 0.2683 0.2911 0.3103 -0.0121 -0.0022 0.0322 151 CYS C CB 5508 S SG . CYS C 149 ? 0.3197 0.3457 0.3628 -0.0125 -0.0026 0.0334 151 CYS C SG 5509 N N . MET C 150 ? 0.2700 0.2877 0.3093 -0.0112 -0.0015 0.0300 152 MET C N 5510 C CA . MET C 150 ? 0.2567 0.2716 0.2954 -0.0109 -0.0011 0.0294 152 MET C CA 5511 C C . MET C 150 ? 0.2520 0.2651 0.2904 -0.0114 -0.0015 0.0294 152 MET C C 5512 O O . MET C 150 ? 0.2610 0.2747 0.2990 -0.0117 -0.0022 0.0294 152 MET C O 5513 C CB . MET C 150 ? 0.2072 0.2211 0.2443 -0.0103 -0.0006 0.0283 152 MET C CB 5514 C CG . MET C 150 ? 0.2502 0.2609 0.2863 -0.0099 -0.0001 0.0276 152 MET C CG 5515 S SD . MET C 150 ? 0.2204 0.2300 0.2546 -0.0093 0.0003 0.0264 152 MET C SD 5516 C CE . MET C 150 ? 0.2659 0.2751 0.2989 -0.0097 -0.0005 0.0260 152 MET C CE 5517 N N . THR C 151 ? 0.1906 0.2015 0.2291 -0.0114 -0.0012 0.0294 153 THR C N 5518 C CA . THR C 151 ? 0.1953 0.2038 0.2330 -0.0117 -0.0016 0.0291 153 THR C CA 5519 C C . THR C 151 ? 0.2066 0.2119 0.2434 -0.0112 -0.0008 0.0286 153 THR C C 5520 O O . THR C 151 ? 0.2333 0.2385 0.2711 -0.0109 -0.0001 0.0289 153 THR C O 5521 C CB . THR C 151 ? 0.2260 0.2352 0.2652 -0.0124 -0.0023 0.0301 153 THR C CB 5522 O OG1 . THR C 151 ? 0.2154 0.2218 0.2536 -0.0128 -0.0027 0.0298 153 THR C OG1 5523 C CG2 . THR C 151 ? 0.1868 0.1966 0.2278 -0.0124 -0.0018 0.0310 153 THR C CG2 5524 N N . LEU C 152 ? 0.1843 0.1869 0.2192 -0.0113 -0.0010 0.0277 154 LEU C N 5525 C CA . LEU C 152 ? 0.1436 0.1428 0.1775 -0.0109 -0.0003 0.0273 154 LEU C CA 5526 C C . LEU C 152 ? 0.1885 0.1871 0.2237 -0.0113 -0.0004 0.0281 154 LEU C C 5527 O O . LEU C 152 ? 0.2058 0.2057 0.2419 -0.0121 -0.0013 0.0288 154 LEU C O 5528 C CB . LEU C 152 ? 0.1365 0.1329 0.1678 -0.0110 -0.0007 0.0263 154 LEU C CB 5529 C CG . LEU C 152 ? 0.1779 0.1704 0.2076 -0.0106 0.0001 0.0257 154 LEU C CG 5530 C CD1 . LEU C 152 ? 0.1855 0.1776 0.2149 -0.0096 0.0013 0.0253 154 LEU C CD1 5531 C CD2 . LEU C 152 ? 0.1944 0.1841 0.2215 -0.0110 -0.0006 0.0249 154 LEU C CD2 5532 N N . VAL C 153 ? 0.2242 0.2210 0.2597 -0.0108 0.0006 0.0282 155 VAL C N 5533 C CA . VAL C 153 ? 0.2343 0.2298 0.2707 -0.0111 0.0006 0.0288 155 VAL C CA 5534 C C . VAL C 153 ? 0.2910 0.2822 0.3251 -0.0108 0.0011 0.0280 155 VAL C C 5535 O O . VAL C 153 ? 0.2751 0.2645 0.3085 -0.0100 0.0023 0.0275 155 VAL C O 5536 C CB . VAL C 153 ? 0.2348 0.2314 0.2735 -0.0108 0.0015 0.0298 155 VAL C CB 5537 C CG1 . VAL C 153 ? 0.2803 0.2750 0.3198 -0.0110 0.0016 0.0304 155 VAL C CG1 5538 C CG2 . VAL C 153 ? 0.2177 0.2184 0.2584 -0.0111 0.0009 0.0307 155 VAL C CG2 5539 N N . ASN C 154 ? 0.2730 0.2624 0.3058 -0.0115 0.0002 0.0277 156 ASN C N 5540 C CA . ASN C 154 ? 0.2683 0.2537 0.2983 -0.0113 0.0004 0.0267 156 ASN C CA 5541 C C . ASN C 154 ? 0.3286 0.3106 0.3582 -0.0111 0.0012 0.0268 156 ASN C C 5542 O O . ASN C 154 ? 0.3366 0.3148 0.3637 -0.0108 0.0016 0.0259 156 ASN C O 5543 C CB . ASN C 154 ? 0.3164 0.3012 0.3448 -0.0122 -0.0011 0.0263 156 ASN C CB 5544 C CG . ASN C 154 ? 0.3397 0.3253 0.3696 -0.0132 -0.0022 0.0272 156 ASN C CG 5545 O OD1 . ASN C 154 ? 0.4025 0.3906 0.4350 -0.0133 -0.0021 0.0282 156 ASN C OD1 5546 N ND2 . ASN C 154 ? 0.3406 0.3243 0.3689 -0.0139 -0.0033 0.0269 156 ASN C ND2 5547 N N . SER C 155 ? 0.2969 0.2802 0.3290 -0.0112 0.0014 0.0278 157 SER C N 5548 C CA . SER C 155 ? 0.3189 0.2993 0.3510 -0.0107 0.0024 0.0280 157 SER C CA 5549 C C . SER C 155 ? 0.3574 0.3400 0.3928 -0.0105 0.0031 0.0292 157 SER C C 5550 O O . SER C 155 ? 0.3700 0.3550 0.4075 -0.0112 0.0023 0.0302 157 SER C O 5551 C CB . SER C 155 ? 0.3710 0.3487 0.4020 -0.0115 0.0016 0.0279 157 SER C CB 5552 O OG . SER C 155 ? 0.4625 0.4366 0.4929 -0.0110 0.0027 0.0279 157 SER C OG 5553 N N . LEU C 156 ? 0.3116 0.2934 0.3473 -0.0095 0.0046 0.0293 158 LEU C N 5554 C CA . LEU C 156 ? 0.2755 0.2589 0.3141 -0.0092 0.0054 0.0305 158 LEU C CA 5555 C C . LEU C 156 ? 0.2828 0.2633 0.3217 -0.0092 0.0059 0.0309 158 LEU C C 5556 O O . LEU C 156 ? 0.2884 0.2649 0.3247 -0.0089 0.0064 0.0301 158 LEU C O 5557 C CB . LEU C 156 ? 0.3012 0.2845 0.3400 -0.0082 0.0068 0.0305 158 LEU C CB 5558 C CG . LEU C 156 ? 0.2939 0.2810 0.3341 -0.0081 0.0066 0.0309 158 LEU C CG 5559 C CD1 . LEU C 156 ? 0.2819 0.2716 0.3218 -0.0089 0.0051 0.0306 158 LEU C CD1 5560 C CD2 . LEU C 156 ? 0.3281 0.3139 0.3671 -0.0071 0.0077 0.0302 158 LEU C CD2 5561 N N . ASP C 157 ? 0.2783 0.2607 0.3201 -0.0095 0.0059 0.0322 159 ASP C N 5562 C CA . ASP C 157 ? 0.3481 0.3278 0.3905 -0.0093 0.0066 0.0327 159 ASP C CA 5563 C C . ASP C 157 ? 0.3300 0.3077 0.3724 -0.0081 0.0086 0.0328 159 ASP C C 5564 O O . ASP C 157 ? 0.3098 0.2898 0.3541 -0.0076 0.0092 0.0335 159 ASP C O 5565 C CB . ASP C 157 ? 0.2741 0.2566 0.3198 -0.0100 0.0061 0.0342 159 ASP C CB 5566 C CG . ASP C 157 ? 0.3468 0.3314 0.3928 -0.0111 0.0043 0.0343 159 ASP C CG 5567 O OD1 . ASP C 157 ? 0.3665 0.3543 0.4153 -0.0117 0.0038 0.0355 159 ASP C OD1 5568 O OD2 . ASP C 157 ? 0.3767 0.3600 0.4202 -0.0115 0.0035 0.0333 159 ASP C OD2 5569 N N . THR C 158 ? 0.2535 0.2267 0.2937 -0.0075 0.0095 0.0321 160 THR C N 5570 C CA . THR C 158 ? 0.3040 0.2749 0.3439 -0.0062 0.0115 0.0322 160 THR C CA 5571 C C . THR C 158 ? 0.3690 0.3359 0.4085 -0.0058 0.0126 0.0324 160 THR C C 5572 O O . THR C 158 ? 0.3602 0.3248 0.3980 -0.0064 0.0118 0.0318 160 THR C O 5573 C CB . THR C 158 ? 0.2704 0.2392 0.3071 -0.0056 0.0120 0.0308 160 THR C CB 5574 O OG1 . THR C 158 ? 0.3114 0.2770 0.3447 -0.0060 0.0112 0.0295 160 THR C OG1 5575 C CG2 . THR C 158 ? 0.2921 0.2647 0.3293 -0.0059 0.0111 0.0306 160 THR C CG2 5576 N N . LYS C 159 ? 0.5203 0.4866 0.5615 -0.0048 0.0143 0.0332 161 LYS C N 5577 C CA . LYS C 159 ? 0.5581 0.5206 0.5991 -0.0042 0.0157 0.0335 161 LYS C CA 5578 C C . LYS C 159 ? 0.5434 0.5034 0.5838 -0.0027 0.0179 0.0336 161 LYS C C 5579 O O . LYS C 159 ? 0.5219 0.4843 0.5648 -0.0021 0.0187 0.0345 161 LYS C O 5580 C CB . LYS C 159 ? 0.5601 0.5246 0.6049 -0.0046 0.0156 0.0351 161 LYS C CB 5581 C CG . LYS C 159 ? 0.6751 0.6446 0.7225 -0.0058 0.0138 0.0359 161 LYS C CG 5582 C CD . LYS C 159 ? 0.7444 0.7160 0.7958 -0.0061 0.0139 0.0377 161 LYS C CD 5583 C CE . LYS C 159 ? 0.7474 0.7243 0.8015 -0.0070 0.0125 0.0386 161 LYS C CE 5584 N NZ . LYS C 159 ? 0.8192 0.7982 0.8771 -0.0074 0.0125 0.0404 161 LYS C NZ 5585 N N . ILE C 160 ? 0.5372 0.4921 0.5744 -0.0020 0.0190 0.0326 162 ILE C N 5586 C CA . ILE C 160 ? 0.5212 0.4731 0.5573 -0.0005 0.0213 0.0325 162 ILE C CA 5587 C C . ILE C 160 ? 0.5202 0.4700 0.5581 0.0002 0.0229 0.0337 162 ILE C C 5588 O O . ILE C 160 ? 0.5179 0.4665 0.5558 -0.0005 0.0222 0.0337 162 ILE C O 5589 C CB . ILE C 160 ? 0.5397 0.4871 0.5706 -0.0001 0.0215 0.0307 162 ILE C CB 5590 C CG1 . ILE C 160 ? 0.5737 0.5228 0.6036 0.0001 0.0213 0.0300 162 ILE C CG1 5591 C CG2 . ILE C 160 ? 0.5654 0.5076 0.5943 0.0011 0.0237 0.0305 162 ILE C CG2 5592 C CD1 . ILE C 160 ? 0.4947 0.4491 0.5268 -0.0010 0.0194 0.0303 162 ILE C CD1 5593 N N . SER C 161 ? 0.4692 0.4187 0.5088 0.0015 0.0249 0.0347 163 SER C N 5594 C CA . SER C 161 ? 0.4995 0.4470 0.5410 0.0022 0.0266 0.0359 163 SER C CA 5595 C C . SER C 161 ? 0.5067 0.4480 0.5443 0.0031 0.0280 0.0348 163 SER C C 5596 O O . SER C 161 ? 0.5658 0.5046 0.6036 0.0032 0.0286 0.0351 163 SER C O 5597 C CB . SER C 161 ? 0.4588 0.4083 0.5040 0.0033 0.0283 0.0376 163 SER C CB 5598 O OG . SER C 161 ? 0.4588 0.4063 0.5019 0.0045 0.0298 0.0371 163 SER C OG 5599 N N . SER C 162 ? 0.5224 0.4611 0.5561 0.0038 0.0286 0.0334 164 SER C N 5600 C CA . SER C 162 ? 0.5377 0.4704 0.5673 0.0047 0.0301 0.0323 164 SER C CA 5601 C C . SER C 162 ? 0.6103 0.5399 0.6365 0.0036 0.0287 0.0309 164 SER C C 5602 O O . SER C 162 ? 0.5815 0.5133 0.6072 0.0022 0.0263 0.0303 164 SER C O 5603 C CB . SER C 162 ? 0.4797 0.4106 0.5060 0.0056 0.0310 0.0312 164 SER C CB 5604 O OG . SER C 162 ? 0.4929 0.4178 0.5142 0.0061 0.0319 0.0297 164 SER C OG 5605 N N . THR C 163 ? 0.5189 0.4432 0.5428 0.0044 0.0301 0.0306 165 THR C N 5606 C CA . THR C 163 ? 0.4709 0.3913 0.4912 0.0035 0.0290 0.0293 165 THR C CA 5607 C C . THR C 163 ? 0.5722 0.4871 0.5866 0.0042 0.0298 0.0275 165 THR C C 5608 O O . THR C 163 ? 0.6606 0.5715 0.6712 0.0035 0.0289 0.0263 165 THR C O 5609 C CB . THR C 163 ? 0.6079 0.5259 0.6294 0.0037 0.0298 0.0301 165 THR C CB 5610 O OG1 . THR C 163 ? 0.6561 0.5713 0.6780 0.0055 0.0328 0.0308 165 THR C OG1 5611 C CG2 . THR C 163 ? 0.5101 0.4333 0.5370 0.0027 0.0286 0.0317 165 THR C CG2 5612 N N . THR C 164 ? 0.5899 0.5045 0.6036 0.0055 0.0314 0.0274 166 THR C N 5613 C CA . THR C 164 ? 0.5794 0.4887 0.5874 0.0062 0.0324 0.0258 166 THR C CA 5614 C C . THR C 164 ? 0.5861 0.4976 0.5926 0.0059 0.0313 0.0249 166 THR C C 5615 O O . THR C 164 ? 0.6160 0.5238 0.6176 0.0058 0.0310 0.0234 166 THR C O 5616 C CB . THR C 164 ? 0.6032 0.5090 0.6108 0.0083 0.0357 0.0264 166 THR C CB 5617 O OG1 . THR C 164 ? 0.5766 0.4868 0.5888 0.0091 0.0368 0.0280 166 THR C OG1 5618 C CG2 . THR C 164 ? 0.6254 0.5278 0.6333 0.0087 0.0369 0.0269 166 THR C CG2 5619 N N . ALA C 165 ? 0.5740 0.4913 0.5847 0.0057 0.0307 0.0260 167 ALA C N 5620 C CA . ALA C 165 ? 0.5492 0.4688 0.5589 0.0054 0.0298 0.0253 167 ALA C CA 5621 C C . ALA C 165 ? 0.6007 0.5202 0.6074 0.0039 0.0272 0.0239 167 ALA C C 5622 O O . ALA C 165 ? 0.5684 0.4893 0.5763 0.0025 0.0254 0.0240 167 ALA C O 5623 C CB . ALA C 165 ? 0.5001 0.4260 0.5149 0.0053 0.0294 0.0267 167 ALA C CB 5624 N N . THR C 166 ? 0.5609 0.4785 0.5637 0.0040 0.0270 0.0225 168 THR C N 5625 C CA . THR C 166 ? 0.5299 0.4470 0.5297 0.0025 0.0247 0.0212 168 THR C CA 5626 C C . THR C 166 ? 0.5143 0.4353 0.5146 0.0021 0.0235 0.0209 168 THR C C 5627 O O . THR C 166 ? 0.4690 0.3920 0.4709 0.0032 0.0248 0.0214 168 THR C O 5628 C CB . THR C 166 ? 0.5786 0.4890 0.5723 0.0028 0.0251 0.0196 168 THR C CB 5629 O OG1 . THR C 166 ? 0.6124 0.5203 0.6044 0.0045 0.0276 0.0195 168 THR C OG1 5630 C CG2 . THR C 166 ? 0.6031 0.5097 0.5958 0.0026 0.0253 0.0196 168 THR C CG2 5631 N N . ALA C 167 ? 0.4042 0.3265 0.4034 0.0006 0.0211 0.0202 169 ALA C N 5632 C CA . ALA C 167 ? 0.3814 0.3077 0.3813 0.0001 0.0198 0.0200 169 ALA C CA 5633 C C . ALA C 167 ? 0.3594 0.2834 0.3561 0.0011 0.0209 0.0190 169 ALA C C 5634 O O . ALA C 167 ? 0.4596 0.3789 0.4517 0.0012 0.0211 0.0179 169 ALA C O 5635 C CB . ALA C 167 ? 0.3516 0.2787 0.3504 -0.0016 0.0171 0.0193 169 ALA C CB 5636 N N . GLY C 168 ? 0.4861 0.4137 0.4853 0.0018 0.0216 0.0196 170 GLY C N 5637 C CA . GLY C 168 ? 0.5023 0.4283 0.4989 0.0027 0.0227 0.0189 170 GLY C CA 5638 C C . GLY C 168 ? 0.5778 0.5033 0.5711 0.0017 0.0209 0.0176 170 GLY C C 5639 O O . GLY C 168 ? 0.6005 0.5291 0.5950 0.0004 0.0187 0.0176 170 GLY C O 5640 N N . THR C 169 ? 0.5790 0.5006 0.5682 0.0024 0.0218 0.0166 171 THR C N 5641 C CA . THR C 169 ? 0.5122 0.4327 0.4978 0.0015 0.0202 0.0153 171 THR C CA 5642 C C . THR C 169 ? 0.4983 0.4179 0.4820 0.0027 0.0216 0.0149 171 THR C C 5643 O O . THR C 169 ? 0.4980 0.4144 0.4805 0.0041 0.0238 0.0150 171 THR C O 5644 C CB . THR C 169 ? 0.5236 0.4389 0.5047 0.0008 0.0194 0.0143 171 THR C CB 5645 O OG1 . THR C 169 ? 0.7044 0.6216 0.6873 -0.0007 0.0174 0.0146 171 THR C OG1 5646 C CG2 . THR C 169 ? 0.5836 0.4965 0.5602 0.0003 0.0184 0.0130 171 THR C CG2 5647 N N . ALA C 170 ? 0.4848 0.4069 0.4684 0.0021 0.0203 0.0145 172 ALA C N 5648 C CA . ALA C 170 ? 0.5007 0.4226 0.4831 0.0032 0.0215 0.0142 172 ALA C CA 5649 C C . ALA C 170 ? 0.4646 0.3853 0.4434 0.0025 0.0201 0.0130 172 ALA C C 5650 O O . ALA C 170 ? 0.5036 0.4263 0.4826 0.0010 0.0179 0.0127 172 ALA C O 5651 C CB . ALA C 170 ? 0.4989 0.4263 0.4861 0.0037 0.0219 0.0153 172 ALA C CB 5652 N N . SER C 171 ? 0.5015 0.4189 0.4769 0.0035 0.0215 0.0123 173 SER C N 5653 C CA . SER C 171 ? 0.5947 0.5108 0.5665 0.0028 0.0204 0.0112 173 SER C CA 5654 C C . SER C 171 ? 0.4888 0.4102 0.4634 0.0023 0.0190 0.0115 173 SER C C 5655 O O . SER C 171 ? 0.4815 0.4037 0.4550 0.0010 0.0170 0.0110 173 SER C O 5656 C CB . SER C 171 ? 0.5500 0.4618 0.5180 0.0042 0.0224 0.0107 173 SER C CB 5657 O OG . SER C 171 ? 0.7443 0.6502 0.7077 0.0042 0.0228 0.0098 173 SER C OG 5658 N N . SER C 172 ? 0.4324 0.3574 0.4108 0.0033 0.0202 0.0124 174 SER C N 5659 C CA . SER C 172 ? 0.5109 0.4408 0.4920 0.0029 0.0192 0.0127 174 SER C CA 5660 C C . SER C 172 ? 0.5163 0.4504 0.5007 0.0016 0.0172 0.0132 174 SER C C 5661 O O . SER C 172 ? 0.4892 0.4275 0.4761 0.0013 0.0163 0.0135 174 SER C O 5662 C CB . SER C 172 ? 0.4970 0.4291 0.4810 0.0044 0.0210 0.0135 174 SER C CB 5663 O OG . SER C 172 ? 0.5270 0.4607 0.5146 0.0048 0.0219 0.0147 174 SER C OG 5664 N N . CYS C 173 ? 0.4117 0.3445 0.3960 0.0009 0.0166 0.0133 175 CYS C N 5665 C CA . CYS C 173 ? 0.3818 0.3181 0.3688 -0.0004 0.0147 0.0137 175 CYS C CA 5666 C C . CYS C 173 ? 0.4287 0.3621 0.4126 -0.0018 0.0130 0.0130 175 CYS C C 5667 O O . CYS C 173 ? 0.3998 0.3331 0.3847 -0.0024 0.0123 0.0134 175 CYS C O 5668 C CB . CYS C 173 ? 0.4052 0.3436 0.3960 -0.0001 0.0154 0.0149 175 CYS C CB 5669 S SG . CYS C 173 ? 0.4428 0.3872 0.4380 -0.0014 0.0134 0.0157 175 CYS C SG 5670 N N . SER C 174 ? 0.4383 0.3691 0.4184 -0.0021 0.0124 0.0120 176 SER C N 5671 C CA . SER C 174 ? 0.4450 0.3732 0.4220 -0.0035 0.0105 0.0114 176 SER C CA 5672 C C . SER C 174 ? 0.4650 0.3889 0.4402 -0.0036 0.0109 0.0113 176 SER C C 5673 O O . SER C 174 ? 0.4675 0.3909 0.4423 -0.0049 0.0092 0.0113 176 SER C O 5674 C CB . SER C 174 ? 0.4044 0.3369 0.3841 -0.0049 0.0083 0.0119 176 SER C CB 5675 O OG . SER C 174 ? 0.3868 0.3230 0.3681 -0.0048 0.0079 0.0119 176 SER C OG 5676 N N . SER C 175 ? 0.4827 0.4037 0.4568 -0.0022 0.0132 0.0112 177 SER C N 5677 C CA . SER C 175 ? 0.5152 0.4318 0.4874 -0.0020 0.0140 0.0111 177 SER C CA 5678 C C . SER C 175 ? 0.4784 0.3974 0.4542 -0.0026 0.0132 0.0120 177 SER C C 5679 O O . SER C 175 ? 0.5129 0.4287 0.4870 -0.0033 0.0127 0.0118 177 SER C O 5680 C CB . SER C 175 ? 0.4523 0.3636 0.4192 -0.0029 0.0129 0.0100 177 SER C CB 5681 O OG . SER C 175 ? 0.5155 0.4236 0.4786 -0.0020 0.0140 0.0092 177 SER C OG 5682 N N . SER C 176 ? 0.4462 0.3706 0.4268 -0.0025 0.0132 0.0130 178 SER C N 5683 C CA . SER C 176 ? 0.4206 0.3476 0.4050 -0.0030 0.0128 0.0140 178 SER C CA 5684 C C . SER C 176 ? 0.4099 0.3419 0.3989 -0.0022 0.0136 0.0150 178 SER C C 5685 O O . SER C 176 ? 0.4547 0.3868 0.4440 -0.0010 0.0153 0.0151 178 SER C O 5686 C CB . SER C 176 ? 0.3997 0.3282 0.3844 -0.0047 0.0102 0.0140 178 SER C CB 5687 O OG . SER C 176 ? 0.4985 0.4285 0.4821 -0.0054 0.0088 0.0135 178 SER C OG 5688 N N . TRP C 177 ? 0.3854 0.3218 0.3782 -0.0031 0.0124 0.0159 179 TRP C N 5689 C CA . TRP C 177 ? 0.3784 0.3194 0.3755 -0.0025 0.0131 0.0169 179 TRP C CA 5690 C C . TRP C 177 ? 0.3320 0.2781 0.3322 -0.0036 0.0112 0.0175 179 TRP C C 5691 O O . TRP C 177 ? 0.3588 0.3049 0.3583 -0.0048 0.0095 0.0173 179 TRP C O 5692 C CB . TRP C 177 ? 0.3678 0.3081 0.3670 -0.0016 0.0147 0.0178 179 TRP C CB 5693 C CG . TRP C 177 ? 0.3590 0.3033 0.3621 -0.0008 0.0157 0.0189 179 TRP C CG 5694 C CD1 . TRP C 177 ? 0.3445 0.2923 0.3517 -0.0011 0.0154 0.0200 179 TRP C CD1 5695 C CD2 . TRP C 177 ? 0.3701 0.3152 0.3735 0.0002 0.0169 0.0189 179 TRP C CD2 5696 N NE1 . TRP C 177 ? 0.3727 0.3235 0.3826 -0.0003 0.0164 0.0208 179 TRP C NE1 5697 C CE2 . TRP C 177 ? 0.3524 0.3016 0.3601 0.0005 0.0173 0.0201 179 TRP C CE2 5698 C CE3 . TRP C 177 ? 0.4075 0.3503 0.4079 0.0010 0.0177 0.0180 179 TRP C CE3 5699 C CZ2 . TRP C 177 ? 0.3237 0.2748 0.3329 0.0015 0.0184 0.0205 179 TRP C CZ2 5700 C CZ3 . TRP C 177 ? 0.4085 0.3532 0.4105 0.0020 0.0188 0.0184 179 TRP C CZ3 5701 C CH2 . TRP C 177 ? 0.4271 0.3759 0.4335 0.0022 0.0191 0.0197 179 TRP C CH2 5702 N N . MET C 178 ? 0.3525 0.3027 0.3561 -0.0031 0.0117 0.0182 180 MET C N 5703 C CA . MET C 178 ? 0.3227 0.2778 0.3296 -0.0040 0.0103 0.0189 180 MET C CA 5704 C C . MET C 178 ? 0.4105 0.3662 0.4190 -0.0049 0.0094 0.0196 180 MET C C 5705 O O . MET C 178 ? 0.3731 0.3259 0.3811 -0.0046 0.0102 0.0198 180 MET C O 5706 C CB . MET C 178 ? 0.3102 0.2690 0.3204 -0.0032 0.0112 0.0198 180 MET C CB 5707 C CG . MET C 178 ? 0.3481 0.3068 0.3575 -0.0023 0.0122 0.0194 180 MET C CG 5708 S SD . MET C 178 ? 0.4385 0.3986 0.4461 -0.0030 0.0106 0.0184 180 MET C SD 5709 C CE . MET C 178 ? 0.3618 0.3229 0.3698 -0.0017 0.0120 0.0184 180 MET C CE 5710 N N . LYS C 179 ? 0.3927 0.3520 0.4031 -0.0059 0.0078 0.0200 181 LYS C N 5711 C CA . LYS C 179 ? 0.3734 0.3342 0.3862 -0.0066 0.0070 0.0209 181 LYS C CA 5712 C C . LYS C 179 ? 0.3849 0.3482 0.4011 -0.0060 0.0081 0.0220 181 LYS C C 5713 O O . LYS C 179 ? 0.3840 0.3472 0.4018 -0.0061 0.0084 0.0227 181 LYS C O 5714 C CB . LYS C 179 ? 0.3925 0.3566 0.4063 -0.0078 0.0051 0.0211 181 LYS C CB 5715 C CG . LYS C 179 ? 0.3770 0.3388 0.3877 -0.0087 0.0037 0.0202 181 LYS C CG 5716 C CD . LYS C 179 ? 0.4675 0.4261 0.4769 -0.0093 0.0031 0.0202 181 LYS C CD 5717 C CE . LYS C 179 ? 0.4496 0.4069 0.4566 -0.0105 0.0013 0.0197 181 LYS C CE 5718 N NZ . LYS C 179 ? 0.5287 0.4905 0.5377 -0.0112 0.0000 0.0201 181 LYS C NZ 5719 N N . SER C 180 ? 0.3201 0.2858 0.3375 -0.0053 0.0088 0.0221 182 SER C N 5720 C CA . SER C 180 ? 0.3307 0.2987 0.3512 -0.0047 0.0098 0.0232 182 SER C CA 5721 C C . SER C 180 ? 0.3507 0.3187 0.3710 -0.0036 0.0111 0.0230 182 SER C C 5722 O O . SER C 180 ? 0.3271 0.2961 0.3463 -0.0036 0.0106 0.0223 182 SER C O 5723 C CB . SER C 180 ? 0.2628 0.2356 0.2864 -0.0054 0.0086 0.0240 182 SER C CB 5724 O OG . SER C 180 ? 0.2310 0.2060 0.2575 -0.0049 0.0095 0.0251 182 SER C OG 5725 N N . PRO C 181 ? 0.2911 0.2579 0.3124 -0.0026 0.0127 0.0236 183 PRO C N 5726 C CA . PRO C 181 ? 0.2800 0.2456 0.3028 -0.0024 0.0135 0.0245 183 PRO C CA 5727 C C . PRO C 181 ? 0.2930 0.2538 0.3128 -0.0023 0.0140 0.0238 183 PRO C C 5728 O O . PRO C 181 ? 0.2817 0.2396 0.2981 -0.0021 0.0141 0.0226 183 PRO C O 5729 C CB . PRO C 181 ? 0.3420 0.3077 0.3665 -0.0011 0.0153 0.0253 183 PRO C CB 5730 C CG . PRO C 181 ? 0.2621 0.2266 0.2842 -0.0005 0.0158 0.0243 183 PRO C CG 5731 C CD . PRO C 181 ? 0.2958 0.2625 0.3170 -0.0015 0.0140 0.0236 183 PRO C CD 5732 N N . LEU C 182 ? 0.3562 0.3161 0.3772 -0.0025 0.0142 0.0244 184 LEU C N 5733 C CA . LEU C 182 ? 0.3493 0.3043 0.3677 -0.0022 0.0150 0.0239 184 LEU C CA 5734 C C . LEU C 182 ? 0.3578 0.3104 0.3758 -0.0006 0.0173 0.0241 184 LEU C C 5735 O O . LEU C 182 ? 0.3281 0.2828 0.3490 0.0001 0.0183 0.0252 184 LEU C O 5736 C CB . LEU C 182 ? 0.3231 0.2780 0.3433 -0.0027 0.0147 0.0247 184 LEU C CB 5737 C CG . LEU C 182 ? 0.3631 0.3196 0.3834 -0.0042 0.0125 0.0246 184 LEU C CG 5738 C CD1 . LEU C 182 ? 0.3300 0.2863 0.3523 -0.0046 0.0124 0.0255 184 LEU C CD1 5739 C CD2 . LEU C 182 ? 0.3598 0.3133 0.3761 -0.0048 0.0115 0.0232 184 LEU C CD2 5740 N N . TRP C 183 ? 0.4261 0.3739 0.4401 -0.0001 0.0181 0.0231 185 TRP C N 5741 C CA . TRP C 183 ? 0.4332 0.3781 0.4463 0.0014 0.0204 0.0232 185 TRP C CA 5742 C C . TRP C 183 ? 0.3901 0.3305 0.4018 0.0018 0.0215 0.0231 185 TRP C C 5743 O O . TRP C 183 ? 0.4247 0.3616 0.4327 0.0013 0.0209 0.0220 185 TRP C O 5744 C CB . TRP C 183 ? 0.3648 0.3078 0.3745 0.0019 0.0207 0.0219 185 TRP C CB 5745 C CG . TRP C 183 ? 0.4710 0.4108 0.4794 0.0035 0.0231 0.0220 185 TRP C CG 5746 C CD1 . TRP C 183 ? 0.4290 0.3690 0.4401 0.0046 0.0250 0.0233 185 TRP C CD1 5747 C CD2 . TRP C 183 ? 0.4372 0.3734 0.4414 0.0042 0.0239 0.0208 185 TRP C CD2 5748 N NE1 . TRP C 183 ? 0.4700 0.4067 0.4789 0.0060 0.0270 0.0230 185 TRP C NE1 5749 C CE2 . TRP C 183 ? 0.4586 0.3928 0.4631 0.0058 0.0263 0.0215 185 TRP C CE2 5750 C CE3 . TRP C 183 ? 0.4303 0.3647 0.4306 0.0036 0.0227 0.0194 185 TRP C CE3 5751 C CZ2 . TRP C 183 ? 0.4004 0.3310 0.4014 0.0068 0.0278 0.0207 185 TRP C CZ2 5752 C CZ3 . TRP C 183 ? 0.4724 0.4031 0.4691 0.0045 0.0240 0.0186 185 TRP C CZ3 5753 C CH2 . TRP C 183 ? 0.4248 0.3536 0.4218 0.0062 0.0266 0.0192 185 TRP C CH2 5754 N N . TYR C 184 ? 0.4060 0.3465 0.4204 0.0026 0.0231 0.0244 186 TYR C N 5755 C CA . TYR C 184 ? 0.3987 0.3349 0.4119 0.0031 0.0243 0.0245 186 TYR C CA 5756 C C . TYR C 184 ? 0.4629 0.3957 0.4748 0.0049 0.0270 0.0246 186 TYR C C 5757 O O . TYR C 184 ? 0.4765 0.4115 0.4912 0.0058 0.0283 0.0257 186 TYR C O 5758 C CB . TYR C 184 ? 0.4127 0.3513 0.4300 0.0028 0.0242 0.0259 186 TYR C CB 5759 C CG . TYR C 184 ? 0.4627 0.4034 0.4807 0.0011 0.0218 0.0258 186 TYR C CG 5760 C CD1 . TYR C 184 ? 0.4896 0.4269 0.5050 0.0004 0.0211 0.0250 186 TYR C CD1 5761 C CD2 . TYR C 184 ? 0.4305 0.3765 0.4517 0.0002 0.0203 0.0265 186 TYR C CD2 5762 C CE1 . TYR C 184 ? 0.4672 0.4065 0.4834 -0.0011 0.0189 0.0250 186 TYR C CE1 5763 C CE2 . TYR C 184 ? 0.4146 0.3626 0.4365 -0.0012 0.0182 0.0264 186 TYR C CE2 5764 C CZ . TYR C 184 ? 0.4843 0.4290 0.5038 -0.0019 0.0175 0.0257 186 TYR C CZ 5765 O OH . TYR C 184 ? 0.5183 0.4649 0.5385 -0.0033 0.0154 0.0258 186 TYR C OH 5766 N N . ALA C 185 ? 0.3736 0.3010 0.3812 0.0053 0.0278 0.0235 187 ALA C N 5767 C CA . ALA C 185 ? 0.3720 0.2955 0.3776 0.0070 0.0303 0.0234 187 ALA C CA 5768 C C . ALA C 185 ? 0.4474 0.3665 0.4520 0.0077 0.0320 0.0237 187 ALA C C 5769 O O . ALA C 185 ? 0.4103 0.3263 0.4123 0.0069 0.0310 0.0228 187 ALA C O 5770 C CB . ALA C 185 ? 0.2731 0.1934 0.2736 0.0071 0.0302 0.0218 187 ALA C CB 5771 N N . GLU C 186 ? 0.6309 0.5498 0.6380 0.0092 0.0343 0.0250 188 GLU C N 5772 C CA . GLU C 186 ? 0.6309 0.5450 0.6367 0.0102 0.0364 0.0253 188 GLU C CA 5773 C C . GLU C 186 ? 0.7185 0.6269 0.7189 0.0113 0.0380 0.0240 188 GLU C C 5774 O O . GLU C 186 ? 0.7669 0.6751 0.7674 0.0127 0.0398 0.0243 188 GLU C O 5775 C CB . GLU C 186 ? 0.6341 0.5501 0.6448 0.0114 0.0384 0.0273 188 GLU C CB 5776 C CG . GLU C 186 ? 0.6021 0.5226 0.6179 0.0104 0.0372 0.0288 188 GLU C CG 5777 C CD . GLU C 186 ? 0.6945 0.6126 0.7096 0.0097 0.0367 0.0286 188 GLU C CD 5778 O OE1 . GLU C 186 ? 0.6606 0.5821 0.6799 0.0090 0.0359 0.0299 188 GLU C OE1 5779 O OE2 . GLU C 186 ? 0.7019 0.6147 0.7124 0.0098 0.0370 0.0272 188 GLU C OE2 5780 N N . SER C 187 ? 0.7144 0.6182 0.7102 0.0107 0.0373 0.0225 189 SER C N 5781 C CA . SER C 187 ? 0.7340 0.6322 0.7240 0.0116 0.0384 0.0210 189 SER C CA 5782 C C . SER C 187 ? 0.7915 0.6849 0.7802 0.0134 0.0415 0.0215 189 SER C C 5783 O O . SER C 187 ? 0.7663 0.6546 0.7501 0.0143 0.0429 0.0204 189 SER C O 5784 C CB . SER C 187 ? 0.7777 0.6728 0.7630 0.0101 0.0362 0.0193 189 SER C CB 5785 O OG . SER C 187 ? 0.8774 0.7760 0.8626 0.0087 0.0338 0.0186 189 SER C OG 5786 N N . SER C 188 ? 0.7963 0.6913 0.7895 0.0140 0.0427 0.0231 190 SER C N 5787 C CA . SER C 188 ? 0.7989 0.6897 0.7916 0.0158 0.0459 0.0238 190 SER C CA 5788 C C . SER C 188 ? 0.8683 0.7619 0.8650 0.0174 0.0481 0.0256 190 SER C C 5789 O O . SER C 188 ? 0.8924 0.7833 0.8896 0.0191 0.0509 0.0266 190 SER C O 5790 C CB . SER C 188 ? 0.8078 0.6976 0.8022 0.0154 0.0459 0.0245 190 SER C CB 5791 O OG . SER C 188 ? 0.8485 0.7443 0.8494 0.0149 0.0451 0.0263 190 SER C OG 5792 N N . VAL C 189 ? 0.6617 0.5608 0.6615 0.0169 0.0469 0.0262 191 VAL C N 5793 C CA . VAL C 189 ? 0.6935 0.5952 0.6968 0.0183 0.0488 0.0277 191 VAL C CA 5794 C C . VAL C 189 ? 0.7314 0.6295 0.7303 0.0196 0.0504 0.0268 191 VAL C C 5795 O O . VAL C 189 ? 0.6697 0.5681 0.6657 0.0189 0.0489 0.0254 191 VAL C O 5796 C CB . VAL C 189 ? 0.6665 0.5752 0.6746 0.0173 0.0469 0.0287 191 VAL C CB 5797 C CG1 . VAL C 189 ? 0.5901 0.5008 0.6008 0.0187 0.0487 0.0301 191 VAL C CG1 5798 C CG2 . VAL C 189 ? 0.6362 0.5484 0.6492 0.0164 0.0459 0.0301 191 VAL C CG2 5799 N N . ASN C 190 ? 0.6199 0.5147 0.6185 0.0216 0.0536 0.0276 192 ASN C N 5800 C CA . ASN C 190 ? 0.6942 0.5847 0.6881 0.0230 0.0555 0.0267 192 ASN C CA 5801 C C . ASN C 190 ? 0.7511 0.6416 0.7477 0.0252 0.0587 0.0286 192 ASN C C 5802 O O . ASN C 190 ? 0.7533 0.6412 0.7508 0.0264 0.0610 0.0296 192 ASN C O 5803 C CB . ASN C 190 ? 0.7117 0.5952 0.6993 0.0231 0.0560 0.0250 192 ASN C CB 5804 C CG . ASN C 190 ? 0.7324 0.6113 0.7146 0.0244 0.0577 0.0238 192 ASN C CG 5805 O OD1 . ASN C 190 ? 0.8009 0.6820 0.7828 0.0244 0.0572 0.0236 192 ASN C OD1 5806 N ND2 . ASN C 190 ? 0.7913 0.6637 0.7691 0.0255 0.0597 0.0232 192 ASN C ND2 5807 N N . PRO C 191 ? 1.0037 0.8974 1.0019 0.0256 0.0589 0.0291 193 PRO C N 5808 C CA . PRO C 191 ? 1.0299 0.9242 1.0312 0.0276 0.0617 0.0311 193 PRO C CA 5809 C C . PRO C 191 ? 1.0414 0.9299 1.0390 0.0299 0.0653 0.0310 193 PRO C C 5810 O O . PRO C 191 ? 1.0616 0.9510 1.0603 0.0312 0.0669 0.0320 193 PRO C O 5811 C CB . PRO C 191 ? 1.0585 0.9578 1.0619 0.0272 0.0604 0.0314 193 PRO C CB 5812 C CG . PRO C 191 ? 0.9171 0.8201 0.9211 0.0249 0.0568 0.0304 193 PRO C CG 5813 C CD . PRO C 191 ? 0.9360 0.8347 0.9355 0.0240 0.0559 0.0286 193 PRO C CD 5814 N N . PRO C 195 ? 1.1041 0.9865 1.0971 0.0303 0.0664 0.0299 197 PRO C N 5815 C CA . PRO C 195 ? 1.1218 1.0002 1.1142 0.0326 0.0701 0.0309 197 PRO C CA 5816 C C . PRO C 195 ? 1.0785 0.9548 1.0711 0.0327 0.0710 0.0311 197 PRO C C 5817 O O . PRO C 195 ? 1.1305 1.0015 1.1179 0.0335 0.0726 0.0298 197 PRO C O 5818 C CB . PRO C 195 ? 1.1013 0.9740 1.0863 0.0334 0.0711 0.0290 197 PRO C CB 5819 C CG . PRO C 195 ? 1.0165 0.8901 0.9983 0.0312 0.0676 0.0268 197 PRO C CG 5820 C CD . PRO C 195 ? 1.1028 0.9810 1.0890 0.0293 0.0649 0.0273 197 PRO C CD 5821 N N . GLN C 196 ? 0.9332 0.8133 0.9312 0.0320 0.0703 0.0326 198 GLN C N 5822 C CA . GLN C 196 ? 0.9305 0.8170 0.9349 0.0310 0.0685 0.0343 198 GLN C CA 5823 C C . GLN C 196 ? 0.8286 0.7164 0.8356 0.0295 0.0667 0.0346 198 GLN C C 5824 O O . GLN C 196 ? 0.7352 0.6242 0.7455 0.0299 0.0677 0.0358 198 GLN C O 5825 C CB . GLN C 196 ? 0.8788 0.7701 0.8887 0.0322 0.0703 0.0365 198 GLN C CB 5826 C CG . GLN C 196 ? 0.8291 0.7243 0.8413 0.0326 0.0702 0.0373 198 GLN C CG 5827 C CD . GLN C 196 ? 0.8892 0.7899 0.9063 0.0311 0.0676 0.0385 198 GLN C CD 5828 O OE1 . GLN C 196 ? 0.9361 0.8379 0.9517 0.0300 0.0655 0.0373 198 GLN C OE1 5829 N NE2 . GLN C 196 ? 0.7938 0.6991 0.8169 0.0308 0.0675 0.0404 198 GLN C NE2 5830 N N . VAL C 197 ? 0.7463 0.6359 0.7517 0.0274 0.0634 0.0330 199 VAL C N 5831 C CA . VAL C 197 ? 0.7155 0.6073 0.7234 0.0258 0.0612 0.0331 199 VAL C CA 5832 C C . VAL C 197 ? 0.6635 0.5624 0.6762 0.0242 0.0585 0.0339 199 VAL C C 5833 O O . VAL C 197 ? 0.6588 0.5594 0.6697 0.0226 0.0558 0.0324 199 VAL C O 5834 C CB . VAL C 197 ? 0.7160 0.6038 0.7184 0.0245 0.0595 0.0307 199 VAL C CB 5835 C CG1 . VAL C 197 ? 0.6532 0.5422 0.6581 0.0232 0.0580 0.0311 199 VAL C CG1 5836 C CG2 . VAL C 197 ? 0.7161 0.5963 0.7123 0.0259 0.0618 0.0294 199 VAL C CG2 5837 N N . CYS C 198 ? 1.0259 0.9289 1.0446 0.0247 0.0593 0.0363 200 CYS C N 5838 C CA . CYS C 198 ? 0.9958 0.9055 1.0193 0.0232 0.0569 0.0372 200 CYS C CA 5839 C C . CYS C 198 ? 1.0978 1.0091 1.1232 0.0216 0.0550 0.0373 200 CYS C C 5840 O O . CYS C 198 ? 1.2048 1.1163 1.2336 0.0221 0.0561 0.0388 200 CYS C O 5841 C CB . CYS C 198 ? 0.9255 0.8389 0.9548 0.0243 0.0584 0.0398 200 CYS C CB 5842 S SG . CYS C 198 ? 1.2182 1.1325 1.2469 0.0255 0.0595 0.0400 200 CYS C SG 5843 N N . GLY C 199 ? 0.7623 0.6750 0.7858 0.0198 0.0520 0.0356 201 GLY C N 5844 C CA . GLY C 199 ? 0.6882 0.6022 0.7129 0.0183 0.0501 0.0355 201 GLY C CA 5845 C C . GLY C 199 ? 0.7786 0.6985 0.8097 0.0175 0.0491 0.0376 201 GLY C C 5846 O O . GLY C 199 ? 0.7266 0.6491 0.7616 0.0184 0.0503 0.0394 201 GLY C O 5847 N N . THR C 200 ? 0.6604 0.5823 0.6926 0.0159 0.0468 0.0374 202 THR C N 5848 C CA . THR C 200 ? 0.6393 0.5669 0.6773 0.0149 0.0455 0.0391 202 THR C CA 5849 C C . THR C 200 ? 0.6103 0.5426 0.6489 0.0135 0.0429 0.0386 202 THR C C 5850 O O . THR C 200 ? 0.5863 0.5178 0.6211 0.0126 0.0412 0.0367 202 THR C O 5851 C CB . THR C 200 ? 0.6289 0.5561 0.6680 0.0140 0.0447 0.0394 202 THR C CB 5852 O OG1 . THR C 200 ? 0.7126 0.6352 0.7511 0.0154 0.0473 0.0399 202 THR C OG1 5853 C CG2 . THR C 200 ? 0.5523 0.4852 0.5972 0.0130 0.0434 0.0413 202 THR C CG2 5854 N N . GLU C 201 ? 0.6108 0.5480 0.6542 0.0133 0.0425 0.0404 203 GLU C N 5855 C CA . GLU C 201 ? 0.5677 0.5097 0.6122 0.0120 0.0401 0.0401 203 GLU C CA 5856 C C . GLU C 201 ? 0.5710 0.5140 0.6139 0.0102 0.0375 0.0388 203 GLU C C 5857 O O . GLU C 201 ? 0.5669 0.5093 0.6107 0.0096 0.0371 0.0391 203 GLU C O 5858 C CB . GLU C 201 ? 0.5084 0.4553 0.5587 0.0118 0.0400 0.0425 203 GLU C CB 5859 C CG . GLU C 201 ? 0.5093 0.4611 0.5610 0.0103 0.0373 0.0424 203 GLU C CG 5860 C CD . GLU C 201 ? 0.5685 0.5249 0.6258 0.0100 0.0371 0.0447 203 GLU C CD 5861 O OE1 . GLU C 201 ? 0.5582 0.5166 0.6168 0.0105 0.0373 0.0454 203 GLU C OE1 5862 O OE2 . GLU C 201 ? 0.6341 0.5921 0.6942 0.0093 0.0365 0.0459 203 GLU C OE2 5863 N N . GLN C 202 ? 0.5612 0.5057 0.6020 0.0094 0.0358 0.0374 204 GLN C N 5864 C CA . GLN C 202 ? 0.5519 0.4976 0.5913 0.0077 0.0332 0.0362 204 GLN C CA 5865 C C . GLN C 202 ? 0.5113 0.4627 0.5546 0.0065 0.0314 0.0373 204 GLN C C 5866 O O . GLN C 202 ? 0.5357 0.4903 0.5814 0.0067 0.0314 0.0382 204 GLN C O 5867 C CB . GLN C 202 ? 0.5472 0.4912 0.5819 0.0075 0.0323 0.0340 204 GLN C CB 5868 C CG . GLN C 202 ? 0.5363 0.4745 0.5662 0.0080 0.0332 0.0326 204 GLN C CG 5869 C CD . GLN C 202 ? 0.5505 0.4875 0.5760 0.0071 0.0316 0.0305 204 GLN C CD 5870 O OE1 . GLN C 202 ? 0.4943 0.4320 0.5191 0.0057 0.0296 0.0298 204 GLN C OE1 5871 N NE2 . GLN C 202 ? 0.5586 0.4936 0.5812 0.0080 0.0325 0.0296 204 GLN C NE2 5872 N N . SER C 203 ? 0.5400 0.4926 0.5840 0.0052 0.0297 0.0372 205 SER C N 5873 C CA . SER C 203 ? 0.5548 0.5125 0.6023 0.0040 0.0279 0.0382 205 SER C CA 5874 C C . SER C 203 ? 0.5193 0.4779 0.5647 0.0025 0.0256 0.0368 205 SER C C 5875 O O . SER C 203 ? 0.5157 0.4709 0.5580 0.0024 0.0254 0.0356 205 SER C O 5876 C CB . SER C 203 ? 0.5328 0.4917 0.5844 0.0040 0.0285 0.0401 205 SER C CB 5877 O OG . SER C 203 ? 0.6138 0.5778 0.6691 0.0030 0.0271 0.0414 205 SER C OG 5878 N N . ALA C 204 ? 0.3661 0.3291 0.4133 0.0015 0.0238 0.0371 206 ALA C N 5879 C CA . ALA C 204 ? 0.4032 0.3676 0.4490 0.0001 0.0216 0.0360 206 ALA C CA 5880 C C . ALA C 204 ? 0.3850 0.3546 0.4339 -0.0010 0.0200 0.0370 206 ALA C C 5881 O O . ALA C 204 ? 0.4090 0.3812 0.4604 -0.0007 0.0204 0.0381 206 ALA C O 5882 C CB . ALA C 204 ? 0.3857 0.3484 0.4273 0.0001 0.0211 0.0342 206 ALA C CB 5883 N N . THR C 205 ? 0.4040 0.3751 0.4527 -0.0022 0.0182 0.0366 207 THR C N 5884 C CA . THR C 205 ? 0.4157 0.3916 0.4666 -0.0032 0.0166 0.0372 207 THR C CA 5885 C C . THR C 205 ? 0.3390 0.3156 0.3873 -0.0041 0.0149 0.0358 207 THR C C 5886 O O . THR C 205 ? 0.3565 0.3303 0.4022 -0.0043 0.0145 0.0347 207 THR C O 5887 C CB . THR C 205 ? 0.4334 0.4115 0.4877 -0.0039 0.0161 0.0388 207 THR C CB 5888 O OG1 . THR C 205 ? 0.4521 0.4295 0.5052 -0.0048 0.0149 0.0382 207 THR C OG1 5889 C CG2 . THR C 205 ? 0.4375 0.4139 0.4940 -0.0031 0.0179 0.0401 207 THR C CG2 5890 N N . PHE C 206 ? 0.3447 0.3249 0.3938 -0.0046 0.0138 0.0359 208 PHE C N 5891 C CA . PHE C 206 ? 0.3421 0.3236 0.3893 -0.0055 0.0121 0.0348 208 PHE C CA 5892 C C . PHE C 206 ? 0.3361 0.3221 0.3858 -0.0064 0.0108 0.0357 208 PHE C C 5893 O O . PHE C 206 ? 0.3665 0.3549 0.4186 -0.0063 0.0111 0.0368 208 PHE C O 5894 C CB . PHE C 206 ? 0.2693 0.2499 0.3138 -0.0050 0.0123 0.0335 208 PHE C CB 5895 C CG . PHE C 206 ? 0.3067 0.2896 0.3526 -0.0045 0.0127 0.0340 208 PHE C CG 5896 C CD1 . PHE C 206 ? 0.3144 0.3010 0.3611 -0.0052 0.0115 0.0341 208 PHE C CD1 5897 C CD2 . PHE C 206 ? 0.3151 0.2963 0.3614 -0.0034 0.0144 0.0344 208 PHE C CD2 5898 C CE1 . PHE C 206 ? 0.3481 0.3366 0.3960 -0.0048 0.0118 0.0346 208 PHE C CE1 5899 C CE2 . PHE C 206 ? 0.2901 0.2734 0.3378 -0.0030 0.0147 0.0350 208 PHE C CE2 5900 C CZ . PHE C 206 ? 0.2839 0.2708 0.3324 -0.0037 0.0133 0.0350 208 PHE C CZ 5901 N N . THR C 207 ? 0.2454 0.2326 0.2946 -0.0074 0.0093 0.0354 209 THR C N 5902 C CA . THR C 207 ? 0.2651 0.2563 0.3165 -0.0083 0.0081 0.0363 209 THR C CA 5903 C C . THR C 207 ? 0.2658 0.2593 0.3159 -0.0088 0.0070 0.0355 209 THR C C 5904 O O . THR C 207 ? 0.2359 0.2281 0.2836 -0.0090 0.0063 0.0344 209 THR C O 5905 C CB . THR C 207 ? 0.2840 0.2754 0.3367 -0.0091 0.0074 0.0370 209 THR C CB 5906 O OG1 . THR C 207 ? 0.2772 0.2666 0.3313 -0.0086 0.0086 0.0378 209 THR C OG1 5907 C CG2 . THR C 207 ? 0.2202 0.2158 0.2752 -0.0100 0.0063 0.0381 209 THR C CG2 5908 N N . LEU C 208 ? 0.2993 0.2959 0.3508 -0.0089 0.0067 0.0361 210 LEU C N 5909 C CA . LEU C 208 ? 0.2895 0.2885 0.3400 -0.0093 0.0056 0.0356 210 LEU C CA 5910 C C . LEU C 208 ? 0.2975 0.2995 0.3497 -0.0103 0.0044 0.0364 210 LEU C C 5911 O O . LEU C 208 ? 0.3277 0.3319 0.3822 -0.0105 0.0044 0.0377 210 LEU C O 5912 C CB . LEU C 208 ? 0.3274 0.3279 0.3783 -0.0088 0.0060 0.0356 210 LEU C CB 5913 C CG . LEU C 208 ? 0.2812 0.2792 0.3307 -0.0078 0.0072 0.0349 210 LEU C CG 5914 C CD1 . LEU C 208 ? 0.2422 0.2421 0.2922 -0.0075 0.0072 0.0351 210 LEU C CD1 5915 C CD2 . LEU C 208 ? 0.2829 0.2784 0.3293 -0.0077 0.0071 0.0334 210 LEU C CD2 5916 N N . PRO C 209 ? 0.3595 0.3615 0.4105 -0.0109 0.0035 0.0358 211 PRO C N 5917 C CA . PRO C 209 ? 0.2929 0.2972 0.3453 -0.0118 0.0024 0.0367 211 PRO C CA 5918 C C . PRO C 209 ? 0.3004 0.3085 0.3537 -0.0121 0.0018 0.0372 211 PRO C C 5919 O O . PRO C 209 ? 0.3533 0.3620 0.4056 -0.0117 0.0019 0.0366 211 PRO C O 5920 C CB . PRO C 209 ? 0.3041 0.3071 0.3545 -0.0121 0.0016 0.0358 211 PRO C CB 5921 C CG . PRO C 209 ? 0.3261 0.3278 0.3741 -0.0116 0.0019 0.0344 211 PRO C CG 5922 C CD . PRO C 209 ? 0.3165 0.3165 0.3646 -0.0107 0.0033 0.0344 211 PRO C CD 5923 N N . THR C 210 ? 0.2795 0.2899 0.3346 -0.0128 0.0011 0.0383 212 THR C N 5924 C CA . THR C 210 ? 0.2157 0.2296 0.2715 -0.0132 0.0004 0.0388 212 THR C CA 5925 C C . THR C 210 ? 0.2713 0.2864 0.3258 -0.0136 -0.0005 0.0382 212 THR C C 5926 O O . THR C 210 ? 0.2641 0.2818 0.3185 -0.0138 -0.0009 0.0384 212 THR C O 5927 C CB . THR C 210 ? 0.3647 0.3807 0.4232 -0.0137 0.0002 0.0404 212 THR C CB 5928 O OG1 . THR C 210 ? 0.2505 0.2662 0.3098 -0.0143 -0.0003 0.0409 212 THR C OG1 5929 C CG2 . THR C 210 ? 0.2993 0.3143 0.3594 -0.0134 0.0011 0.0412 212 THR C CG2 5930 N N . SER C 211 ? 0.2119 0.2251 0.2652 -0.0136 -0.0007 0.0376 213 SER C N 5931 C CA . SER C 211 ? 0.2762 0.2902 0.3283 -0.0140 -0.0015 0.0370 213 SER C CA 5932 C C . SER C 211 ? 0.3015 0.3123 0.3516 -0.0139 -0.0016 0.0360 213 SER C C 5933 O O . SER C 211 ? 0.2602 0.2683 0.3102 -0.0137 -0.0011 0.0358 213 SER C O 5934 C CB . SER C 211 ? 0.3004 0.3168 0.3541 -0.0148 -0.0024 0.0382 213 SER C CB 5935 O OG . SER C 211 ? 0.3191 0.3338 0.3736 -0.0151 -0.0026 0.0386 213 SER C OG 5936 N N . PHE C 212 ? 0.2738 0.2851 0.3226 -0.0141 -0.0022 0.0354 214 PHE C N 5937 C CA . PHE C 212 ? 0.2735 0.2821 0.3205 -0.0141 -0.0025 0.0345 214 PHE C CA 5938 C C . PHE C 212 ? 0.3062 0.3163 0.3529 -0.0147 -0.0036 0.0346 214 PHE C C 5939 O O . PHE C 212 ? 0.2949 0.3067 0.3410 -0.0146 -0.0037 0.0343 214 PHE C O 5940 C CB . PHE C 212 ? 0.2665 0.2729 0.3113 -0.0134 -0.0018 0.0332 214 PHE C CB 5941 C CG . PHE C 212 ? 0.2770 0.2802 0.3197 -0.0135 -0.0020 0.0323 214 PHE C CG 5942 C CD1 . PHE C 212 ? 0.2999 0.2998 0.3422 -0.0134 -0.0016 0.0321 214 PHE C CD1 5943 C CD2 . PHE C 212 ? 0.2390 0.2421 0.2800 -0.0136 -0.0027 0.0316 214 PHE C CD2 5944 C CE1 . PHE C 212 ? 0.3129 0.3095 0.3529 -0.0135 -0.0019 0.0312 214 PHE C CE1 5945 C CE2 . PHE C 212 ? 0.2490 0.2490 0.2880 -0.0138 -0.0030 0.0307 214 PHE C CE2 5946 C CZ . PHE C 212 ? 0.3262 0.3229 0.3646 -0.0137 -0.0027 0.0305 214 PHE C CZ 5947 N N . GLY C 213 ? 0.3543 0.3639 0.4017 -0.0154 -0.0044 0.0352 215 GLY C N 5948 C CA . GLY C 213 ? 0.2470 0.2586 0.2949 -0.0160 -0.0055 0.0357 215 GLY C CA 5949 C C . GLY C 213 ? 0.2908 0.3063 0.3403 -0.0161 -0.0055 0.0366 215 GLY C C 5950 O O . GLY C 213 ? 0.3686 0.3853 0.4198 -0.0161 -0.0052 0.0374 215 GLY C O 5951 N N . ILE C 214 ? 0.2827 0.3000 0.3316 -0.0160 -0.0057 0.0365 216 ILE C N 5952 C CA . ILE C 214 ? 0.2484 0.2693 0.2984 -0.0160 -0.0057 0.0373 216 ILE C CA 5953 C C . ILE C 214 ? 0.2512 0.2727 0.3007 -0.0153 -0.0048 0.0368 216 ILE C C 5954 O O . ILE C 214 ? 0.2042 0.2283 0.2544 -0.0152 -0.0046 0.0374 216 ILE C O 5955 C CB . ILE C 214 ? 0.2852 0.3079 0.3349 -0.0161 -0.0062 0.0373 216 ILE C CB 5956 C CG1 . ILE C 214 ? 0.2557 0.2770 0.3032 -0.0155 -0.0059 0.0360 216 ILE C CG1 5957 C CG2 . ILE C 214 ? 0.2703 0.2924 0.3206 -0.0168 -0.0073 0.0379 216 ILE C CG2 5958 C CD1 . ILE C 214 ? 0.2767 0.2997 0.3238 -0.0156 -0.0063 0.0361 216 ILE C CD1 5959 N N . TYR C 215 ? 0.2295 0.2485 0.2777 -0.0148 -0.0042 0.0357 217 TYR C N 5960 C CA . TYR C 215 ? 0.2301 0.2496 0.2777 -0.0142 -0.0034 0.0352 217 TYR C CA 5961 C C . TYR C 215 ? 0.2280 0.2475 0.2770 -0.0141 -0.0029 0.0359 217 TYR C C 5962 O O . TYR C 215 ? 0.2602 0.2777 0.3097 -0.0141 -0.0027 0.0360 217 TYR C O 5963 C CB . TYR C 215 ? 0.2071 0.2240 0.2526 -0.0136 -0.0030 0.0339 217 TYR C CB 5964 C CG . TYR C 215 ? 0.2204 0.2376 0.2647 -0.0137 -0.0035 0.0333 217 TYR C CG 5965 C CD1 . TYR C 215 ? 0.2735 0.2888 0.3171 -0.0141 -0.0041 0.0331 217 TYR C CD1 5966 C CD2 . TYR C 215 ? 0.1630 0.1822 0.2068 -0.0134 -0.0034 0.0332 217 TYR C CD2 5967 C CE1 . TYR C 215 ? 0.2429 0.2585 0.2855 -0.0142 -0.0046 0.0327 217 TYR C CE1 5968 C CE2 . TYR C 215 ? 0.2833 0.3028 0.3261 -0.0135 -0.0039 0.0328 217 TYR C CE2 5969 C CZ . TYR C 215 ? 0.2924 0.3102 0.3348 -0.0139 -0.0045 0.0326 217 TYR C CZ 5970 O OH . TYR C 215 ? 0.2976 0.3158 0.3392 -0.0140 -0.0050 0.0324 217 TYR C OH 5971 N N . LYS C 216 ? 0.2314 0.2530 0.2807 -0.0139 -0.0027 0.0363 218 LYS C N 5972 C CA . LYS C 216 ? 0.2379 0.2597 0.2885 -0.0139 -0.0022 0.0369 218 LYS C CA 5973 C C . LYS C 216 ? 0.2473 0.2674 0.2970 -0.0132 -0.0015 0.0361 218 LYS C C 5974 O O . LYS C 216 ? 0.2601 0.2803 0.3082 -0.0128 -0.0013 0.0352 218 LYS C O 5975 C CB . LYS C 216 ? 0.2583 0.2832 0.3098 -0.0141 -0.0025 0.0378 218 LYS C CB 5976 C CG . LYS C 216 ? 0.2731 0.2983 0.3257 -0.0141 -0.0021 0.0385 218 LYS C CG 5977 C CD . LYS C 216 ? 0.2991 0.3272 0.3523 -0.0145 -0.0025 0.0394 218 LYS C CD 5978 C CE . LYS C 216 ? 0.2866 0.3155 0.3378 -0.0141 -0.0024 0.0386 218 LYS C CE 5979 N NZ . LYS C 216 ? 0.3076 0.3389 0.3589 -0.0144 -0.0027 0.0393 218 LYS C NZ 5980 N N . CYS C 217 ? 0.2589 0.2773 0.3094 -0.0130 -0.0009 0.0364 219 CYS C N 5981 C CA . CYS C 217 ? 0.2378 0.2545 0.2877 -0.0124 -0.0002 0.0357 219 CYS C CA 5982 C C . CYS C 217 ? 0.2741 0.2921 0.3254 -0.0123 0.0001 0.0366 219 CYS C C 5983 O O . CYS C 217 ? 0.2817 0.2996 0.3348 -0.0125 0.0003 0.0377 219 CYS C O 5984 C CB . CYS C 217 ? 0.2720 0.2855 0.3216 -0.0121 0.0004 0.0354 219 CYS C CB 5985 S SG . CYS C 217 ? 0.3374 0.3489 0.3850 -0.0122 0.0000 0.0343 219 CYS C SG 5986 N N . ASN C 218 ? 0.2564 0.2754 0.3069 -0.0121 0.0001 0.0363 220 ASN C N 5987 C CA . ASN C 218 ? 0.2788 0.2986 0.3304 -0.0121 0.0004 0.0371 220 ASN C CA 5988 C C . ASN C 218 ? 0.3020 0.3196 0.3532 -0.0113 0.0012 0.0366 220 ASN C C 5989 O O . ASN C 218 ? 0.2782 0.2956 0.3309 -0.0112 0.0016 0.0374 220 ASN C O 5990 C CB . ASN C 218 ? 0.2734 0.2955 0.3244 -0.0123 -0.0002 0.0372 220 ASN C CB 5991 C CG . ASN C 218 ? 0.3168 0.3411 0.3683 -0.0130 -0.0009 0.0379 220 ASN C CG 5992 O OD1 . ASN C 218 ? 0.2782 0.3033 0.3283 -0.0130 -0.0012 0.0373 220 ASN C OD1 5993 N ND2 . ASN C 218 ? 0.2673 0.2926 0.3207 -0.0135 -0.0011 0.0392 220 ASN C ND2 5994 N N . LYS C 219 ? 0.2956 0.3117 0.3448 -0.0108 0.0014 0.0353 221 LYS C N 5995 C CA . LYS C 219 ? 0.2652 0.2793 0.3138 -0.0101 0.0022 0.0347 221 LYS C CA 5996 C C . LYS C 219 ? 0.2781 0.2895 0.3252 -0.0097 0.0026 0.0336 221 LYS C C 5997 O O . LYS C 219 ? 0.2497 0.2613 0.2958 -0.0100 0.0021 0.0331 221 LYS C O 5998 C CB . LYS C 219 ? 0.3073 0.3223 0.3548 -0.0098 0.0021 0.0341 221 LYS C CB 5999 C CG . LYS C 219 ? 0.2682 0.2855 0.3167 -0.0102 0.0016 0.0350 221 LYS C CG 6000 C CD . LYS C 219 ? 0.2659 0.2828 0.3164 -0.0102 0.0020 0.0361 221 LYS C CD 6001 C CE . LYS C 219 ? 0.3061 0.3253 0.3576 -0.0107 0.0014 0.0372 221 LYS C CE 6002 N NZ . LYS C 219 ? 0.2812 0.3000 0.3349 -0.0107 0.0017 0.0385 221 LYS C NZ 6003 N N . HIS C 220 ? 0.2669 0.2761 0.3139 -0.0091 0.0035 0.0334 222 HIS C N 6004 C CA . HIS C 220 ? 0.2188 0.2251 0.2640 -0.0087 0.0040 0.0323 222 HIS C CA 6005 C C . HIS C 220 ? 0.2450 0.2499 0.2890 -0.0078 0.0047 0.0316 222 HIS C C 6006 O O . HIS C 220 ? 0.2390 0.2440 0.2842 -0.0075 0.0053 0.0322 222 HIS C O 6007 C CB . HIS C 220 ? 0.2153 0.2195 0.2613 -0.0086 0.0046 0.0328 222 HIS C CB 6008 C CG . HIS C 220 ? 0.2898 0.2948 0.3366 -0.0094 0.0038 0.0333 222 HIS C CG 6009 N ND1 . HIS C 220 ? 0.2518 0.2555 0.2971 -0.0097 0.0033 0.0326 222 HIS C ND1 6010 C CD2 . HIS C 220 ? 0.2667 0.2736 0.3156 -0.0099 0.0034 0.0346 222 HIS C CD2 6011 C CE1 . HIS C 220 ? 0.2611 0.2660 0.3078 -0.0104 0.0027 0.0334 222 HIS C CE1 6012 N NE2 . HIS C 220 ? 0.2737 0.2805 0.3225 -0.0105 0.0028 0.0346 222 HIS C NE2 6013 N N . VAL C 221 ? 0.2466 0.2502 0.2885 -0.0076 0.0047 0.0304 223 VAL C N 6014 C CA . VAL C 221 ? 0.2103 0.2121 0.2509 -0.0068 0.0055 0.0296 223 VAL C CA 6015 C C . VAL C 221 ? 0.2714 0.2698 0.3110 -0.0064 0.0063 0.0292 223 VAL C C 6016 O O . VAL C 221 ? 0.2572 0.2544 0.2953 -0.0067 0.0059 0.0286 223 VAL C O 6017 C CB . VAL C 221 ? 0.2293 0.2316 0.2680 -0.0067 0.0050 0.0285 223 VAL C CB 6018 C CG1 . VAL C 221 ? 0.2131 0.2132 0.2504 -0.0059 0.0059 0.0277 223 VAL C CG1 6019 C CG2 . VAL C 221 ? 0.2148 0.2202 0.2543 -0.0070 0.0044 0.0288 223 VAL C CG2 6020 N N . VAL C 222 ? 0.2808 0.2777 0.3211 -0.0057 0.0074 0.0297 224 VAL C N 6021 C CA . VAL C 222 ? 0.2692 0.2626 0.3085 -0.0052 0.0084 0.0294 224 VAL C CA 6022 C C . VAL C 222 ? 0.2956 0.2873 0.3340 -0.0042 0.0096 0.0290 224 VAL C C 6023 O O . VAL C 222 ? 0.2808 0.2740 0.3201 -0.0039 0.0097 0.0293 224 VAL C O 6024 C CB . VAL C 222 ? 0.2842 0.2771 0.3256 -0.0052 0.0090 0.0306 224 VAL C CB 6025 C CG1 . VAL C 222 ? 0.2817 0.2753 0.3234 -0.0061 0.0080 0.0308 224 VAL C CG1 6026 C CG2 . VAL C 222 ? 0.2873 0.2824 0.3314 -0.0051 0.0093 0.0319 224 VAL C CG2 6027 N N . GLN C 223 ? 0.2372 0.2254 0.2737 -0.0036 0.0104 0.0284 225 GLN C N 6028 C CA . GLN C 223 ? 0.2690 0.2552 0.3048 -0.0026 0.0118 0.0282 225 GLN C CA 6029 C C . GLN C 223 ? 0.3001 0.2845 0.3373 -0.0019 0.0131 0.0292 225 GLN C C 6030 O O . GLN C 223 ? 0.3007 0.2835 0.3377 -0.0022 0.0132 0.0293 225 GLN C O 6031 C CB . GLN C 223 ? 0.2440 0.2276 0.2765 -0.0023 0.0119 0.0267 225 GLN C CB 6032 C CG . GLN C 223 ? 0.2470 0.2323 0.2783 -0.0027 0.0108 0.0258 225 GLN C CG 6033 C CD . GLN C 223 ? 0.2129 0.1996 0.2439 -0.0038 0.0093 0.0256 225 GLN C CD 6034 O OE1 . GLN C 223 ? 0.2107 0.1956 0.2407 -0.0042 0.0091 0.0254 225 GLN C OE1 6035 N NE2 . GLN C 223 ? 0.2087 0.1986 0.2407 -0.0042 0.0084 0.0257 225 GLN C NE2 6036 N N . LEU C 224 ? 0.3278 0.3123 0.3663 -0.0011 0.0142 0.0299 226 LEU C N 6037 C CA . LEU C 224 ? 0.3216 0.3043 0.3616 -0.0004 0.0157 0.0310 226 LEU C CA 6038 C C . LEU C 224 ? 0.3600 0.3396 0.3981 0.0008 0.0172 0.0304 226 LEU C C 6039 O O . LEU C 224 ? 0.3983 0.3785 0.4377 0.0016 0.0180 0.0311 226 LEU C O 6040 C CB . LEU C 224 ? 0.3545 0.3399 0.3980 -0.0004 0.0158 0.0326 226 LEU C CB 6041 C CG . LEU C 224 ? 0.4187 0.4073 0.4640 -0.0016 0.0143 0.0332 226 LEU C CG 6042 C CD1 . LEU C 224 ? 0.4211 0.4122 0.4699 -0.0016 0.0143 0.0350 226 LEU C CD1 6043 C CD2 . LEU C 224 ? 0.4055 0.3931 0.4506 -0.0021 0.0140 0.0331 226 LEU C CD2 6044 N N . CYS C 225 ? 0.3571 0.3335 0.3922 0.0010 0.0175 0.0292 227 CYS C N 6045 C CA . CYS C 225 ? 0.3520 0.3254 0.3846 0.0020 0.0187 0.0284 227 CYS C CA 6046 C C . CYS C 225 ? 0.3977 0.3687 0.4313 0.0032 0.0208 0.0294 227 CYS C C 6047 O O . CYS C 225 ? 0.3734 0.3445 0.4090 0.0031 0.0212 0.0305 227 CYS C O 6048 C CB . CYS C 225 ? 0.3273 0.2979 0.3561 0.0017 0.0183 0.0268 227 CYS C CB 6049 S SG . CYS C 225 ? 0.3484 0.3214 0.3759 0.0004 0.0160 0.0257 227 CYS C SG 6050 N N . TYR C 226 ? 0.4441 0.4132 0.4763 0.0043 0.0221 0.0291 228 TYR C N 6051 C CA . TYR C 226 ? 0.3374 0.3038 0.3701 0.0056 0.0242 0.0299 228 TYR C CA 6052 C C . TYR C 226 ? 0.3887 0.3521 0.4181 0.0065 0.0253 0.0289 228 TYR C C 6053 O O . TYR C 226 ? 0.3876 0.3521 0.4156 0.0063 0.0245 0.0280 228 TYR C O 6054 C CB . TYR C 226 ? 0.3360 0.3051 0.3728 0.0060 0.0249 0.0318 228 TYR C CB 6055 C CG . TYR C 226 ? 0.3491 0.3213 0.3869 0.0058 0.0239 0.0319 228 TYR C CG 6056 C CD1 . TYR C 226 ? 0.3569 0.3282 0.3937 0.0068 0.0249 0.0316 228 TYR C CD1 6057 C CD2 . TYR C 226 ? 0.3692 0.3451 0.4089 0.0047 0.0222 0.0322 228 TYR C CD2 6058 C CE1 . TYR C 226 ? 0.3242 0.2982 0.3618 0.0066 0.0240 0.0316 228 TYR C CE1 6059 C CE2 . TYR C 226 ? 0.3410 0.3196 0.3814 0.0045 0.0213 0.0322 228 TYR C CE2 6060 C CZ . TYR C 226 ? 0.3348 0.3124 0.3742 0.0054 0.0222 0.0319 228 TYR C CZ 6061 O OH . TYR C 226 ? 0.3504 0.3305 0.3905 0.0052 0.0213 0.0319 228 TYR C OH 6062 N N . PHE C 227 ? 0.4465 0.4061 0.4744 0.0076 0.0272 0.0289 229 PHE C N 6063 C CA . PHE C 227 ? 0.4303 0.3868 0.4551 0.0086 0.0284 0.0280 229 PHE C CA 6064 C C . PHE C 227 ? 0.4448 0.4027 0.4719 0.0097 0.0296 0.0292 229 PHE C C 6065 O O . PHE C 227 ? 0.4205 0.3801 0.4513 0.0101 0.0303 0.0309 229 PHE C O 6066 C CB . PHE C 227 ? 0.4752 0.4268 0.4972 0.0094 0.0300 0.0276 229 PHE C CB 6067 C CG . PHE C 227 ? 0.4527 0.4022 0.4717 0.0084 0.0287 0.0262 229 PHE C CG 6068 C CD1 . PHE C 227 ? 0.4250 0.3735 0.4404 0.0078 0.0276 0.0246 229 PHE C CD1 6069 C CD2 . PHE C 227 ? 0.4642 0.4128 0.4840 0.0080 0.0287 0.0266 229 PHE C CD2 6070 C CE1 . PHE C 227 ? 0.4329 0.3795 0.4457 0.0068 0.0263 0.0234 229 PHE C CE1 6071 C CE2 . PHE C 227 ? 0.5059 0.4526 0.5231 0.0070 0.0275 0.0255 229 PHE C CE2 6072 C CZ . PHE C 227 ? 0.4409 0.3865 0.4545 0.0064 0.0263 0.0239 229 PHE C CZ 6073 N N . VAL C 228 ? 0.4636 0.4208 0.4887 0.0102 0.0299 0.0284 230 VAL C N 6074 C CA . VAL C 228 ? 0.4667 0.4249 0.4936 0.0113 0.0311 0.0294 230 VAL C CA 6075 C C . VAL C 228 ? 0.4215 0.3755 0.4456 0.0128 0.0332 0.0291 230 VAL C C 6076 O O . VAL C 228 ? 0.4379 0.3895 0.4580 0.0127 0.0330 0.0275 230 VAL C O 6077 C CB . VAL C 228 ? 0.3936 0.3550 0.4209 0.0107 0.0295 0.0290 230 VAL C CB 6078 C CG1 . VAL C 228 ? 0.4156 0.3782 0.4451 0.0118 0.0307 0.0302 230 VAL C CG1 6079 C CG2 . VAL C 228 ? 0.3842 0.3495 0.4139 0.0093 0.0275 0.0293 230 VAL C CG2 6080 N N . TYR C 229 ? 0.4078 0.3608 0.4338 0.0141 0.0353 0.0306 231 TYR C N 6081 C CA . TYR C 229 ? 0.4517 0.4007 0.4753 0.0156 0.0376 0.0304 231 TYR C CA 6082 C C . TYR C 229 ? 0.4592 0.4095 0.4845 0.0167 0.0387 0.0315 231 TYR C C 6083 O O . TYR C 229 ? 0.4107 0.3647 0.4400 0.0165 0.0381 0.0329 231 TYR C O 6084 C CB . TYR C 229 ? 0.3948 0.3408 0.4187 0.0165 0.0395 0.0313 231 TYR C CB 6085 C CG . TYR C 229 ? 0.4198 0.3628 0.4403 0.0158 0.0390 0.0299 231 TYR C CG 6086 C CD1 . TYR C 229 ? 0.4431 0.3814 0.4586 0.0163 0.0398 0.0284 231 TYR C CD1 6087 C CD2 . TYR C 229 ? 0.4066 0.3513 0.4288 0.0145 0.0375 0.0300 231 TYR C CD2 6088 C CE1 . TYR C 229 ? 0.4403 0.3757 0.4526 0.0156 0.0391 0.0271 231 TYR C CE1 6089 C CE2 . TYR C 229 ? 0.4077 0.3497 0.4269 0.0139 0.0369 0.0288 231 TYR C CE2 6090 C CZ . TYR C 229 ? 0.4322 0.3695 0.4465 0.0144 0.0377 0.0273 231 TYR C CZ 6091 O OH . TYR C 229 ? 0.3821 0.3165 0.3933 0.0136 0.0369 0.0261 231 TYR C OH 6092 N N . GLU C 230 ? 0.6072 0.5543 0.6294 0.0179 0.0401 0.0308 232 GLU C N 6093 C CA . GLU C 230 ? 0.6498 0.5977 0.6732 0.0190 0.0413 0.0317 232 GLU C CA 6094 C C . GLU C 230 ? 0.6254 0.5741 0.6531 0.0202 0.0432 0.0341 232 GLU C C 6095 O O . GLU C 230 ? 0.6187 0.5706 0.6500 0.0203 0.0430 0.0355 232 GLU C O 6096 C CB . GLU C 230 ? 0.7388 0.6825 0.7575 0.0201 0.0428 0.0305 232 GLU C CB 6097 C CG . GLU C 230 ? 0.7790 0.7235 0.7986 0.0212 0.0439 0.0313 232 GLU C CG 6098 C CD . GLU C 230 ? 0.8261 0.7661 0.8410 0.0224 0.0455 0.0302 232 GLU C CD 6099 O OE1 . GLU C 230 ? 0.8715 0.8078 0.8824 0.0222 0.0457 0.0288 232 GLU C OE1 6100 O OE2 . GLU C 230 ? 0.9020 0.8423 0.9173 0.0234 0.0466 0.0308 232 GLU C OE2 6101 N N . ASN C 231 ? 0.5187 0.4644 0.5459 0.0209 0.0449 0.0346 233 ASN C N 6102 C CA . ASN C 231 ? 0.5998 0.5458 0.6310 0.0221 0.0468 0.0370 233 ASN C CA 6103 C C . ASN C 231 ? 0.5364 0.4792 0.5667 0.0224 0.0481 0.0370 233 ASN C C 6104 O O . ASN C 231 ? 0.5104 0.4504 0.5367 0.0218 0.0475 0.0352 233 ASN C O 6105 C CB . ASN C 231 ? 0.5809 0.5256 0.6123 0.0239 0.0491 0.0380 233 ASN C CB 6106 C CG . ASN C 231 ? 0.5706 0.5105 0.5965 0.0248 0.0505 0.0363 233 ASN C CG 6107 O OD1 . ASN C 231 ? 0.5425 0.4787 0.5651 0.0249 0.0512 0.0353 233 ASN C OD1 6108 N ND2 . ASN C 231 ? 0.5371 0.4772 0.5619 0.0254 0.0508 0.0360 233 ASN C ND2 6109 N N . PHE C 235 ? 0.5966 0.5276 0.6146 0.0220 0.0487 0.0325 237 PHE C N 6110 C CA . PHE C 235 ? 0.5307 0.4617 0.5490 0.0208 0.0475 0.0321 237 PHE C CA 6111 C C . PHE C 235 ? 0.5908 0.5171 0.6072 0.0218 0.0496 0.0322 237 PHE C C 6112 O O . PHE C 235 ? 0.5419 0.4665 0.5566 0.0209 0.0486 0.0312 237 PHE C O 6113 C CB . PHE C 235 ? 0.4698 0.4059 0.4939 0.0200 0.0463 0.0339 237 PHE C CB 6114 C CG . PHE C 235 ? 0.5030 0.4389 0.5279 0.0190 0.0455 0.0339 237 PHE C CG 6115 C CD1 . PHE C 235 ? 0.5103 0.4460 0.5385 0.0198 0.0471 0.0357 237 PHE C CD1 6116 C CD2 . PHE C 235 ? 0.4634 0.3994 0.4860 0.0174 0.0432 0.0322 237 PHE C CD2 6117 C CE1 . PHE C 235 ? 0.5247 0.4603 0.5538 0.0189 0.0463 0.0358 237 PHE C CE1 6118 C CE2 . PHE C 235 ? 0.4825 0.4183 0.5058 0.0166 0.0425 0.0323 237 PHE C CE2 6119 C CZ . PHE C 235 ? 0.5240 0.4597 0.5507 0.0173 0.0440 0.0341 237 PHE C CZ 6120 N N . ASN C 236 ? 0.5777 0.5018 0.5946 0.0237 0.0524 0.0334 238 ASN C N 6121 C CA . ASN C 236 ? 0.5642 0.4838 0.5798 0.0248 0.0547 0.0337 238 ASN C CA 6122 C C . ASN C 236 ? 0.6064 0.5202 0.6153 0.0250 0.0552 0.0315 238 ASN C C 6123 O O . ASN C 236 ? 0.6768 0.5862 0.6838 0.0261 0.0572 0.0316 238 ASN C O 6124 C CB . ASN C 236 ? 0.5894 0.5086 0.6079 0.0268 0.0577 0.0359 238 ASN C CB 6125 C CG . ASN C 236 ? 0.5517 0.4759 0.5769 0.0266 0.0573 0.0383 238 ASN C CG 6126 O OD1 . ASN C 236 ? 0.6559 0.5820 0.6844 0.0276 0.0586 0.0401 238 ASN C OD1 6127 N ND2 . ASN C 236 ? 0.5219 0.4484 0.5493 0.0251 0.0555 0.0384 238 ASN C ND2 6128 N N . THR C 237 ? 0.7009 0.6147 0.7064 0.0241 0.0534 0.0297 239 THR C N 6129 C CA . THR C 237 ? 0.6441 0.5528 0.6432 0.0238 0.0532 0.0275 239 THR C CA 6130 C C . THR C 237 ? 0.6679 0.5762 0.6662 0.0222 0.0511 0.0266 239 THR C C 6131 O O . THR C 237 ? 0.7406 0.6442 0.7342 0.0220 0.0512 0.0251 239 THR C O 6132 C CB . THR C 237 ? 0.7406 0.6495 0.7364 0.0234 0.0519 0.0260 239 THR C CB 6133 O OG1 . THR C 237 ? 0.7023 0.6112 0.6987 0.0250 0.0540 0.0269 239 THR C OG1 6134 C CG2 . THR C 237 ? 0.6629 0.5667 0.6521 0.0229 0.0514 0.0238 239 THR C CG2 6135 N N . PHE C 238 ? 0.6300 0.5433 0.6329 0.0209 0.0493 0.0275 240 PHE C N 6136 C CA . PHE C 238 ? 0.5930 0.5068 0.5957 0.0193 0.0471 0.0267 240 PHE C CA 6137 C C . PHE C 238 ? 0.5652 0.4805 0.5724 0.0193 0.0477 0.0284 240 PHE C C 6138 O O . PHE C 238 ? 0.5562 0.4689 0.5621 0.0189 0.0476 0.0280 240 PHE C O 6139 C CB . PHE C 238 ? 0.5156 0.4340 0.5195 0.0175 0.0441 0.0261 240 PHE C CB 6140 C CG . PHE C 238 ? 0.5077 0.4253 0.5078 0.0174 0.0434 0.0246 240 PHE C CG 6141 C CD1 . PHE C 238 ? 0.5342 0.4484 0.5292 0.0165 0.0422 0.0227 240 PHE C CD1 6142 C CD2 . PHE C 238 ? 0.5376 0.4577 0.5394 0.0181 0.0439 0.0253 240 PHE C CD2 6143 C CE1 . PHE C 238 ? 0.5855 0.4990 0.5771 0.0164 0.0416 0.0214 240 PHE C CE1 6144 C CE2 . PHE C 238 ? 0.5491 0.4685 0.5475 0.0180 0.0433 0.0240 240 PHE C CE2 6145 C CZ . PHE C 238 ? 0.5161 0.4321 0.5094 0.0171 0.0422 0.0220 240 PHE C CZ 6146 N N . GLY C 239 ? 0.5915 0.5108 0.6039 0.0199 0.0484 0.0304 241 GLY C N 6147 C CA . GLY C 239 ? 0.6100 0.5311 0.6270 0.0199 0.0489 0.0322 241 GLY C CA 6148 C C . GLY C 239 ? 0.6662 0.5878 0.6868 0.0216 0.0515 0.0344 241 GLY C C 6149 O O . GLY C 239 ? 0.6540 0.5764 0.6750 0.0226 0.0524 0.0348 241 GLY C O 6150 N N . CYS C 240 ? 0.6894 0.6106 0.7129 0.0220 0.0527 0.0358 242 CYS C N 6151 C CA . CYS C 240 ? 0.6818 0.6038 0.7094 0.0236 0.0551 0.0382 242 CYS C CA 6152 C C . CYS C 240 ? 0.6333 0.5616 0.6668 0.0228 0.0536 0.0400 242 CYS C C 6153 O O . CYS C 240 ? 0.6094 0.5409 0.6439 0.0210 0.0510 0.0395 242 CYS C O 6154 C CB . CYS C 240 ? 0.7630 0.6818 0.7912 0.0245 0.0571 0.0391 242 CYS C CB 6155 S SG . CYS C 240 ? 0.8826 0.7934 0.9036 0.0255 0.0589 0.0370 242 CYS C SG 6156 N N . GLY C 241 ? 0.5563 0.4862 0.5935 0.0240 0.0553 0.0421 243 GLY C N 6157 C CA . GLY C 241 ? 0.4911 0.4267 0.5338 0.0232 0.0540 0.0440 243 GLY C CA 6158 C C . GLY C 241 ? 0.4777 0.4161 0.5194 0.0223 0.0519 0.0428 243 GLY C C 6159 O O . GLY C 241 ? 0.4401 0.3762 0.4779 0.0229 0.0524 0.0414 243 GLY C O 6160 N N . ASP C 242 ? 0.5210 0.4643 0.5660 0.0208 0.0496 0.0435 244 ASP C N 6161 C CA . ASP C 242 ? 0.5183 0.4645 0.5625 0.0198 0.0474 0.0424 244 ASP C CA 6162 C C . ASP C 242 ? 0.5144 0.4615 0.5566 0.0180 0.0448 0.0406 244 ASP C C 6163 O O . ASP C 242 ? 0.5169 0.4640 0.5601 0.0173 0.0443 0.0408 244 ASP C O 6164 C CB . ASP C 242 ? 0.4924 0.4435 0.5417 0.0195 0.0467 0.0444 244 ASP C CB 6165 C CG . ASP C 242 ? 0.5519 0.5027 0.6027 0.0211 0.0487 0.0459 244 ASP C CG 6166 O OD1 . ASP C 242 ? 0.5430 0.4957 0.5985 0.0216 0.0496 0.0483 244 ASP C OD1 6167 O OD2 . ASP C 242 ? 0.5827 0.5312 0.6300 0.0219 0.0495 0.0446 244 ASP C OD2 6168 N N . TYR C 243 ? 0.5624 0.5105 0.6021 0.0172 0.0432 0.0390 245 TYR C N 6169 C CA . TYR C 243 ? 0.5695 0.5192 0.6078 0.0154 0.0405 0.0375 245 TYR C CA 6170 C C . TYR C 243 ? 0.5046 0.4593 0.5475 0.0142 0.0388 0.0389 245 TYR C C 6171 O O . TYR C 243 ? 0.4891 0.4466 0.5352 0.0144 0.0388 0.0403 245 TYR C O 6172 C CB . TYR C 243 ? 0.5113 0.4609 0.5459 0.0150 0.0392 0.0356 245 TYR C CB 6173 C CG . TYR C 243 ? 0.5262 0.4778 0.5599 0.0131 0.0365 0.0343 245 TYR C CG 6174 C CD1 . TYR C 243 ? 0.4840 0.4327 0.5142 0.0125 0.0359 0.0327 245 TYR C CD1 6175 C CD2 . TYR C 243 ? 0.5399 0.4962 0.5763 0.0120 0.0345 0.0347 245 TYR C CD2 6176 C CE1 . TYR C 243 ? 0.5368 0.4875 0.5664 0.0109 0.0335 0.0317 245 TYR C CE1 6177 C CE2 . TYR C 243 ? 0.5051 0.4632 0.5406 0.0105 0.0322 0.0336 245 TYR C CE2 6178 C CZ . TYR C 243 ? 0.5119 0.4672 0.5441 0.0099 0.0318 0.0322 245 TYR C CZ 6179 O OH . TYR C 243 ? 0.4603 0.4175 0.4919 0.0084 0.0295 0.0313 245 TYR C OH 6180 N N . TYR C 244 ? 0.3555 0.3110 0.3985 0.0129 0.0372 0.0384 246 TYR C N 6181 C CA . TYR C 244 ? 0.4692 0.4294 0.5155 0.0116 0.0352 0.0393 246 TYR C CA 6182 C C . TYR C 244 ? 0.4261 0.3867 0.4707 0.0101 0.0332 0.0379 246 TYR C C 6183 O O . TYR C 244 ? 0.3797 0.3370 0.4220 0.0101 0.0336 0.0371 246 TYR C O 6184 C CB . TYR C 244 ? 0.4097 0.3717 0.4610 0.0118 0.0360 0.0418 246 TYR C CB 6185 C CG . TYR C 244 ? 0.4012 0.3609 0.4529 0.0121 0.0370 0.0422 246 TYR C CG 6186 C CD1 . TYR C 244 ? 0.4177 0.3794 0.4714 0.0108 0.0356 0.0427 246 TYR C CD1 6187 C CD2 . TYR C 244 ? 0.4266 0.3819 0.4766 0.0136 0.0395 0.0423 246 TYR C CD2 6188 C CE1 . TYR C 244 ? 0.4384 0.3980 0.4925 0.0110 0.0365 0.0432 246 TYR C CE1 6189 C CE2 . TYR C 244 ? 0.4334 0.3864 0.4838 0.0138 0.0405 0.0427 246 TYR C CE2 6190 C CZ . TYR C 244 ? 0.4258 0.3810 0.4783 0.0125 0.0390 0.0432 246 TYR C CZ 6191 O OH . TYR C 244 ? 0.3298 0.2827 0.3827 0.0127 0.0400 0.0436 246 TYR C OH 6192 N N . GLN C 245 ? 0.4324 0.3968 0.4782 0.0088 0.0310 0.0378 247 GLN C N 6193 C CA . GLN C 245 ? 0.4529 0.4185 0.4980 0.0073 0.0290 0.0369 247 GLN C CA 6194 C C . GLN C 245 ? 0.4136 0.3841 0.4622 0.0062 0.0274 0.0380 247 GLN C C 6195 O O . GLN C 245 ? 0.4249 0.3977 0.4736 0.0059 0.0264 0.0378 247 GLN C O 6196 C CB . GLN C 245 ? 0.4534 0.4177 0.4942 0.0068 0.0279 0.0347 247 GLN C CB 6197 C CG . GLN C 245 ? 0.4239 0.3908 0.4645 0.0052 0.0255 0.0340 247 GLN C CG 6198 C CD . GLN C 245 ? 0.4157 0.3799 0.4535 0.0046 0.0250 0.0327 247 GLN C CD 6199 O OE1 . GLN C 245 ? 0.4221 0.3821 0.4572 0.0054 0.0263 0.0320 247 GLN C OE1 6200 N NE2 . GLN C 245 ? 0.3870 0.3535 0.4253 0.0033 0.0231 0.0325 247 GLN C NE2 6201 N N . ASN C 246 ? 0.3389 0.3107 0.3904 0.0057 0.0271 0.0393 248 ASN C N 6202 C CA . ASN C 246 ? 0.3998 0.3760 0.4547 0.0047 0.0256 0.0406 248 ASN C CA 6203 C C . ASN C 246 ? 0.4250 0.4030 0.4798 0.0032 0.0238 0.0401 248 ASN C C 6204 O O . ASN C 246 ? 0.3782 0.3542 0.4322 0.0031 0.0240 0.0398 248 ASN C O 6205 C CB . ASN C 246 ? 0.4061 0.3833 0.4652 0.0052 0.0268 0.0429 248 ASN C CB 6206 C CG . ASN C 246 ? 0.4737 0.4505 0.5338 0.0064 0.0282 0.0438 248 ASN C CG 6207 O OD1 . ASN C 246 ? 0.4932 0.4713 0.5526 0.0064 0.0275 0.0433 248 ASN C OD1 6208 N ND2 . ASN C 246 ? 0.4145 0.3894 0.4763 0.0076 0.0303 0.0452 248 ASN C ND2 6209 N N . TYR C 247 ? 0.3232 0.3047 0.3788 0.0022 0.0220 0.0401 249 TYR C N 6210 C CA . TYR C 247 ? 0.3582 0.3418 0.4140 0.0009 0.0202 0.0398 249 TYR C CA 6211 C C . TYR C 247 ? 0.3814 0.3684 0.4411 0.0002 0.0195 0.0417 249 TYR C C 6212 O O . TYR C 247 ? 0.3964 0.3853 0.4580 0.0003 0.0194 0.0427 249 TYR C O 6213 C CB . TYR C 247 ? 0.3170 0.3019 0.3703 0.0002 0.0186 0.0382 249 TYR C CB 6214 C CG . TYR C 247 ? 0.3719 0.3537 0.4213 0.0006 0.0190 0.0363 249 TYR C CG 6215 C CD1 . TYR C 247 ? 0.3946 0.3754 0.4417 -0.0001 0.0180 0.0351 249 TYR C CD1 6216 C CD2 . TYR C 247 ? 0.3633 0.3432 0.4111 0.0017 0.0202 0.0358 249 TYR C CD2 6217 C CE1 . TYR C 247 ? 0.3668 0.3448 0.4103 0.0002 0.0182 0.0335 249 TYR C CE1 6218 C CE2 . TYR C 247 ? 0.3271 0.3041 0.3712 0.0020 0.0204 0.0341 249 TYR C CE2 6219 C CZ . TYR C 247 ? 0.3627 0.3388 0.4045 0.0012 0.0194 0.0329 249 TYR C CZ 6220 O OH . TYR C 247 ? 0.3550 0.3282 0.3932 0.0015 0.0195 0.0313 249 TYR C OH 6221 N N . TYR C 248 ? 0.4179 0.4055 0.4788 -0.0006 0.0189 0.0423 250 TYR C N 6222 C CA . TYR C 248 ? 0.4637 0.4544 0.5283 -0.0013 0.0182 0.0441 250 TYR C CA 6223 C C . TYR C 248 ? 0.4233 0.4165 0.4879 -0.0027 0.0164 0.0438 250 TYR C C 6224 O O . TYR C 248 ? 0.4435 0.4353 0.5061 -0.0030 0.0160 0.0427 250 TYR C O 6225 C CB . TYR C 248 ? 0.4576 0.4471 0.5249 -0.0007 0.0197 0.0458 250 TYR C CB 6226 C CG . TYR C 248 ? 0.4780 0.4651 0.5457 0.0007 0.0218 0.0463 250 TYR C CG 6227 C CD1 . TYR C 248 ? 0.4994 0.4881 0.5701 0.0011 0.0223 0.0481 250 TYR C CD1 6228 C CD2 . TYR C 248 ? 0.4779 0.4610 0.5430 0.0017 0.0232 0.0452 250 TYR C CD2 6229 C CE1 . TYR C 248 ? 0.4440 0.4304 0.5151 0.0025 0.0242 0.0487 250 TYR C CE1 6230 C CE2 . TYR C 248 ? 0.5285 0.5093 0.5938 0.0031 0.0252 0.0457 250 TYR C CE2 6231 C CZ . TYR C 248 ? 0.5416 0.5241 0.6100 0.0036 0.0258 0.0475 250 TYR C CZ 6232 O OH . TYR C 248 ? 0.5154 0.4955 0.5841 0.0050 0.0279 0.0481 250 TYR C OH 6233 N N . ASP C 249 ? 0.4659 0.4625 0.5326 -0.0035 0.0152 0.0449 251 ASP C N 6234 C CA . ASP C 249 ? 0.5299 0.5287 0.5969 -0.0047 0.0136 0.0450 251 ASP C CA 6235 C C . ASP C 249 ? 0.5233 0.5222 0.5930 -0.0050 0.0140 0.0465 251 ASP C C 6236 O O . ASP C 249 ? 0.4775 0.4743 0.5485 -0.0041 0.0155 0.0472 251 ASP C O 6237 C CB . ASP C 249 ? 0.5261 0.5284 0.5940 -0.0056 0.0122 0.0454 251 ASP C CB 6238 C CG . ASP C 249 ? 0.5723 0.5762 0.6435 -0.0055 0.0124 0.0475 251 ASP C CG 6239 O OD1 . ASP C 249 ? 0.5256 0.5286 0.5992 -0.0051 0.0136 0.0489 251 ASP C OD1 6240 O OD2 . ASP C 249 ? 0.5567 0.5627 0.6281 -0.0060 0.0114 0.0477 251 ASP C OD2 6241 N N . GLY C 250 ? 0.4786 0.4799 0.5493 -0.0061 0.0126 0.0469 252 GLY C N 6242 C CA . GLY C 250 ? 0.5878 0.5894 0.6611 -0.0065 0.0128 0.0483 252 GLY C CA 6243 C C . GLY C 250 ? 0.6238 0.6263 0.7007 -0.0062 0.0135 0.0504 252 GLY C C 6244 O O . GLY C 250 ? 0.5762 0.5775 0.6551 -0.0059 0.0145 0.0515 252 GLY C O 6245 N N . ASN C 251 ? 0.6173 0.6217 0.6951 -0.0064 0.0130 0.0511 253 ASN C N 6246 C CA . ASN C 251 ? 0.5756 0.5812 0.6570 -0.0063 0.0134 0.0534 253 ASN C CA 6247 C C . ASN C 251 ? 0.6275 0.6307 0.7097 -0.0050 0.0154 0.0539 253 ASN C C 6248 O O . ASN C 251 ? 0.6919 0.6956 0.7774 -0.0048 0.0161 0.0559 253 ASN C O 6249 C CB . ASN C 251 ? 0.5322 0.5409 0.6141 -0.0071 0.0120 0.0539 253 ASN C CB 6250 C CG . ASN C 251 ? 0.5533 0.5644 0.6344 -0.0084 0.0102 0.0535 253 ASN C CG 6251 O OD1 . ASN C 251 ? 0.6094 0.6207 0.6909 -0.0089 0.0100 0.0536 253 ASN C OD1 6252 N ND2 . ASN C 251 ? 0.5968 0.6098 0.6768 -0.0089 0.0090 0.0531 253 ASN C ND2 6253 N N . GLY C 252 ? 0.4975 0.4980 0.5767 -0.0041 0.0163 0.0521 254 GLY C N 6254 C CA . GLY C 252 ? 0.5075 0.5055 0.5870 -0.0027 0.0182 0.0525 254 GLY C CA 6255 C C . GLY C 252 ? 0.4822 0.4805 0.5607 -0.0022 0.0183 0.0521 254 GLY C C 6256 O O . GLY C 252 ? 0.5694 0.5657 0.6482 -0.0010 0.0198 0.0524 254 GLY C O 6257 N N . ASN C 253 ? 0.5421 0.5426 0.6194 -0.0031 0.0166 0.0513 255 ASN C N 6258 C CA . ASN C 253 ? 0.5503 0.5512 0.6266 -0.0027 0.0164 0.0508 255 ASN C CA 6259 C C . ASN C 253 ? 0.5712 0.5695 0.6438 -0.0019 0.0172 0.0487 255 ASN C C 6260 O O . ASN C 253 ? 0.5078 0.5051 0.5777 -0.0021 0.0167 0.0470 255 ASN C O 6261 C CB . ASN C 253 ? 0.5013 0.5053 0.5771 -0.0040 0.0143 0.0506 255 ASN C CB 6262 C CG . ASN C 253 ? 0.5943 0.6010 0.6735 -0.0049 0.0134 0.0527 255 ASN C CG 6263 O OD1 . ASN C 253 ? 0.6158 0.6228 0.6981 -0.0046 0.0141 0.0546 255 ASN C OD1 6264 N ND2 . ASN C 253 ? 0.5787 0.5874 0.6574 -0.0061 0.0118 0.0524 255 ASN C ND2 6265 N N . LEU C 254 ? 0.4979 0.4950 0.5705 -0.0008 0.0183 0.0489 256 LEU C N 6266 C CA . LEU C 254 ? 0.4966 0.4914 0.5658 0.0000 0.0190 0.0470 256 LEU C CA 6267 C C . LEU C 254 ? 0.5004 0.4968 0.5673 -0.0008 0.0173 0.0455 256 LEU C C 6268 O O . LEU C 254 ? 0.5356 0.5346 0.6038 -0.0013 0.0162 0.0462 256 LEU C O 6269 C CB . LEU C 254 ? 0.4965 0.4900 0.5668 0.0013 0.0205 0.0479 256 LEU C CB 6270 C CG . LEU C 254 ? 0.4877 0.4781 0.5548 0.0024 0.0218 0.0463 256 LEU C CG 6271 C CD1 . LEU C 254 ? 0.5018 0.4888 0.5676 0.0031 0.0233 0.0458 256 LEU C CD1 6272 C CD2 . LEU C 254 ? 0.5799 0.5701 0.6483 0.0034 0.0229 0.0473 256 LEU C CD2 6273 N N . ILE C 255 ? 0.3285 0.3234 0.3920 -0.0007 0.0171 0.0435 257 ILE C N 6274 C CA . ILE C 255 ? 0.4159 0.4124 0.4772 -0.0014 0.0156 0.0421 257 ILE C CA 6275 C C . ILE C 255 ? 0.3757 0.3699 0.4336 -0.0007 0.0161 0.0403 257 ILE C C 6276 O O . ILE C 255 ? 0.3736 0.3690 0.4298 -0.0011 0.0150 0.0391 257 ILE C O 6277 C CB . ILE C 255 ? 0.3888 0.3864 0.4492 -0.0025 0.0142 0.0414 257 ILE C CB 6278 C CG1 . ILE C 255 ? 0.3394 0.3343 0.3983 -0.0022 0.0150 0.0406 257 ILE C CG1 6279 C CG2 . ILE C 255 ? 0.3404 0.3407 0.4038 -0.0034 0.0133 0.0431 257 ILE C CG2 6280 C CD1 . ILE C 255 ? 0.3468 0.3425 0.4045 -0.0033 0.0137 0.0397 257 ILE C CD1 6281 N N . GLY C 256 ? 0.3775 0.3688 0.4347 0.0004 0.0178 0.0401 258 GLY C N 6282 C CA . GLY C 256 ? 0.3441 0.3331 0.3982 0.0011 0.0183 0.0385 258 GLY C CA 6283 C C . GLY C 256 ? 0.3727 0.3581 0.4259 0.0024 0.0203 0.0384 258 GLY C C 6284 O O . GLY C 256 ? 0.3914 0.3759 0.4466 0.0028 0.0215 0.0398 258 GLY C O 6285 N N . GLY C 257 ? 0.3070 0.2902 0.3570 0.0030 0.0208 0.0369 259 GLY C N 6286 C CA . GLY C 257 ? 0.2651 0.2444 0.3136 0.0042 0.0227 0.0366 259 GLY C CA 6287 C C . GLY C 257 ? 0.3372 0.3159 0.3864 0.0054 0.0241 0.0373 259 GLY C C 6288 O O . GLY C 257 ? 0.3350 0.3160 0.3851 0.0052 0.0234 0.0375 259 GLY C O 6289 N N . MET C 258 ? 0.4877 0.4632 0.5363 0.0066 0.0261 0.0376 260 MET C N 6290 C CA . MET C 258 ? 0.4913 0.4659 0.5407 0.0079 0.0277 0.0384 260 MET C CA 6291 C C . MET C 258 ? 0.5509 0.5230 0.6016 0.0090 0.0299 0.0397 260 MET C C 6292 O O . MET C 258 ? 0.5484 0.5173 0.5969 0.0094 0.0308 0.0389 260 MET C O 6293 C CB . MET C 258 ? 0.4861 0.4586 0.5318 0.0085 0.0281 0.0367 260 MET C CB 6294 C CG . MET C 258 ? 0.5874 0.5602 0.6342 0.0096 0.0292 0.0376 260 MET C CG 6295 S SD . MET C 258 ? 0.6435 0.6127 0.6860 0.0107 0.0305 0.0359 260 MET C SD 6296 C CE . MET C 258 ? 0.7171 0.6882 0.7619 0.0115 0.0310 0.0372 260 MET C CE 6297 N N . ASP C 259 ? 0.5164 0.4902 0.5710 0.0095 0.0306 0.0418 261 ASP C N 6298 C CA . ASP C 259 ? 0.5027 0.4748 0.5595 0.0106 0.0327 0.0434 261 ASP C CA 6299 C C . ASP C 259 ? 0.5292 0.4998 0.5863 0.0121 0.0346 0.0443 261 ASP C C 6300 O O . ASP C 259 ? 0.5285 0.5016 0.5889 0.0122 0.0346 0.0459 261 ASP C O 6301 C CB . ASP C 259 ? 0.5090 0.4841 0.5703 0.0098 0.0320 0.0456 261 ASP C CB 6302 C CG . ASP C 259 ? 0.4968 0.4700 0.5602 0.0107 0.0339 0.0471 261 ASP C CG 6303 O OD1 . ASP C 259 ? 0.4890 0.4586 0.5506 0.0120 0.0360 0.0468 261 ASP C OD1 6304 O OD2 . ASP C 259 ? 0.5588 0.5342 0.6256 0.0100 0.0334 0.0487 261 ASP C OD2 6305 N N . ASN C 260 ? 0.5610 0.5278 0.6149 0.0133 0.0363 0.0432 262 ASN C N 6306 C CA . ASN C 260 ? 0.6038 0.5690 0.6577 0.0148 0.0383 0.0439 262 ASN C CA 6307 C C . ASN C 260 ? 0.5841 0.5484 0.6413 0.0161 0.0405 0.0462 262 ASN C C 6308 O O . ASN C 260 ? 0.5221 0.4835 0.5784 0.0176 0.0428 0.0465 262 ASN C O 6309 C CB . ASN C 260 ? 0.5914 0.5527 0.6403 0.0157 0.0393 0.0419 262 ASN C CB 6310 C CG . ASN C 260 ? 0.6206 0.5830 0.6667 0.0148 0.0374 0.0399 262 ASN C CG 6311 O OD1 . ASN C 260 ? 0.6028 0.5686 0.6508 0.0141 0.0361 0.0403 262 ASN C OD1 6312 N ND2 . ASN C 260 ? 0.5677 0.5271 0.6093 0.0147 0.0373 0.0378 262 ASN C ND2 6313 N N . ARG C 261 ? 0.6730 0.6398 0.7342 0.0153 0.0399 0.0479 263 ARG C N 6314 C CA . ARG C 261 ? 0.6591 0.6260 0.7244 0.0163 0.0417 0.0505 263 ARG C CA 6315 C C . ARG C 261 ? 0.6794 0.6507 0.7491 0.0156 0.0404 0.0524 263 ARG C C 6316 O O . ARG C 261 ? 0.7981 0.7703 0.8719 0.0163 0.0416 0.0549 263 ARG C O 6317 C CB . ARG C 261 ? 0.5569 0.5228 0.6232 0.0160 0.0421 0.0510 263 ARG C CB 6318 C CG . ARG C 261 ? 0.5426 0.5040 0.6044 0.0165 0.0431 0.0490 263 ARG C CG 6319 C CD . ARG C 261 ? 0.5316 0.4930 0.5942 0.0157 0.0425 0.0491 263 ARG C CD 6320 N NE . ARG C 261 ? 0.6280 0.5936 0.6927 0.0139 0.0398 0.0493 263 ARG C NE 6321 C CZ . ARG C 261 ? 0.5954 0.5618 0.6604 0.0127 0.0386 0.0491 263 ARG C CZ 6322 N NH1 . ARG C 261 ? 0.5981 0.5613 0.6616 0.0131 0.0396 0.0485 263 ARG C NH1 6323 N NH2 . ARG C 261 ? 0.6177 0.5880 0.6846 0.0112 0.0362 0.0493 263 ARG C NH2 6324 N N . VAL C 262 ? 0.7546 0.7285 0.8235 0.0143 0.0380 0.0513 264 VAL C N 6325 C CA . VAL C 262 ? 0.7450 0.7229 0.8174 0.0135 0.0365 0.0529 264 VAL C CA 6326 C C . VAL C 262 ? 0.7073 0.6860 0.7777 0.0134 0.0356 0.0516 264 VAL C C 6327 O O . VAL C 262 ? 0.7815 0.7627 0.8544 0.0133 0.0349 0.0529 264 VAL C O 6328 C CB . VAL C 262 ? 0.7823 0.7632 0.8563 0.0117 0.0342 0.0530 264 VAL C CB 6329 C CG1 . VAL C 262 ? 0.7384 0.7230 0.8165 0.0110 0.0330 0.0552 264 VAL C CG1 6330 C CG2 . VAL C 262 ? 0.7469 0.7265 0.8217 0.0117 0.0349 0.0536 264 VAL C CG2 6331 N N . ALA C 263 ? 0.5443 0.5209 0.6101 0.0135 0.0354 0.0491 265 ALA C N 6332 C CA . ALA C 263 ? 0.4881 0.4655 0.5517 0.0132 0.0343 0.0477 265 ALA C CA 6333 C C . ALA C 263 ? 0.5619 0.5359 0.6220 0.0146 0.0360 0.0464 265 ALA C C 6334 O O . ALA C 263 ? 0.5528 0.5234 0.6102 0.0152 0.0373 0.0454 265 ALA C O 6335 C CB . ALA C 263 ? 0.5352 0.5140 0.5965 0.0117 0.0320 0.0458 265 ALA C CB 6336 N N . ALA C 264 ? 0.7882 0.7629 0.8482 0.0150 0.0360 0.0465 266 ALA C N 6337 C CA . ALA C 264 ? 0.7941 0.7659 0.8512 0.0164 0.0377 0.0455 266 ALA C CA 6338 C C . ALA C 264 ? 0.7704 0.7399 0.8223 0.0160 0.0371 0.0427 266 ALA C C 6339 O O . ALA C 264 ? 0.8165 0.7876 0.8674 0.0146 0.0350 0.0415 266 ALA C O 6340 C CB . ALA C 264 ? 0.7158 0.6894 0.7741 0.0167 0.0374 0.0461 266 ALA C CB 6341 N N . TYR C 265 ? 0.7040 0.6697 0.7529 0.0173 0.0390 0.0419 267 TYR C N 6342 C CA . TYR C 265 ? 0.6095 0.5729 0.6534 0.0170 0.0385 0.0394 267 TYR C CA 6343 C C . TYR C 265 ? 0.6167 0.5820 0.6597 0.0166 0.0372 0.0385 267 TYR C C 6344 O O . TYR C 265 ? 0.6484 0.6146 0.6932 0.0174 0.0380 0.0396 267 TYR C O 6345 C CB . TYR C 265 ? 0.6070 0.5657 0.6478 0.0185 0.0410 0.0388 267 TYR C CB 6346 C CG . TYR C 265 ? 0.6400 0.5962 0.6808 0.0189 0.0422 0.0393 267 TYR C CG 6347 C CD1 . TYR C 265 ? 0.6467 0.6004 0.6839 0.0182 0.0417 0.0375 267 TYR C CD1 6348 C CD2 . TYR C 265 ? 0.6080 0.5643 0.6525 0.0198 0.0440 0.0416 267 TYR C CD2 6349 C CE1 . TYR C 265 ? 0.6640 0.6153 0.7012 0.0186 0.0429 0.0379 267 TYR C CE1 6350 C CE2 . TYR C 265 ? 0.6476 0.6016 0.6922 0.0202 0.0452 0.0420 267 TYR C CE2 6351 C CZ . TYR C 265 ? 0.6697 0.6211 0.7106 0.0196 0.0447 0.0401 267 TYR C CZ 6352 O OH . TYR C 265 ? 0.6462 0.5952 0.6871 0.0199 0.0459 0.0405 267 TYR C OH 6353 N N . ARG C 266 ? 0.5645 0.5303 0.6049 0.0154 0.0353 0.0366 268 ARG C N 6354 C CA . ARG C 266 ? 0.5971 0.5648 0.6367 0.0150 0.0340 0.0357 268 ARG C CA 6355 C C . ARG C 266 ? 0.5264 0.4920 0.5612 0.0146 0.0333 0.0333 268 ARG C C 6356 O O . ARG C 266 ? 0.5600 0.5274 0.5938 0.0137 0.0316 0.0322 268 ARG C O 6357 C CB . ARG C 266 ? 0.5459 0.5178 0.5882 0.0136 0.0318 0.0362 268 ARG C CB 6358 C CG . ARG C 266 ? 0.4961 0.4688 0.5381 0.0123 0.0303 0.0355 268 ARG C CG 6359 C CD . ARG C 266 ? 0.4938 0.4706 0.5381 0.0110 0.0281 0.0359 268 ARG C CD 6360 N NE . ARG C 266 ? 0.4987 0.4764 0.5425 0.0097 0.0267 0.0352 268 ARG C NE 6361 C CZ . ARG C 266 ? 0.4781 0.4557 0.5190 0.0089 0.0254 0.0334 268 ARG C CZ 6362 N NH1 . ARG C 266 ? 0.5483 0.5249 0.5865 0.0092 0.0253 0.0320 268 ARG C NH1 6363 N NH2 . ARG C 266 ? 0.5356 0.5141 0.5764 0.0078 0.0241 0.0330 268 ARG C NH2 6364 N N . GLY C 267 ? 0.6229 0.5846 0.6547 0.0152 0.0347 0.0326 269 GLY C N 6365 C CA . GLY C 267 ? 0.5936 0.5527 0.6207 0.0150 0.0343 0.0305 269 GLY C CA 6366 C C . GLY C 267 ? 0.7503 0.7087 0.7759 0.0159 0.0350 0.0301 269 GLY C C 6367 O O . GLY C 267 ? 0.6605 0.6170 0.6862 0.0173 0.0371 0.0310 269 GLY C O 6368 N N . ILE C 268 ? 0.8384 0.7984 0.8626 0.0150 0.0333 0.0288 270 ILE C N 6369 C CA . ILE C 268 ? 0.7823 0.7417 0.8048 0.0157 0.0337 0.0283 270 ILE C CA 6370 C C . ILE C 268 ? 0.8268 0.7816 0.8457 0.0169 0.0358 0.0278 270 ILE C C 6371 O O . ILE C 268 ? 0.7828 0.7346 0.7984 0.0167 0.0358 0.0266 270 ILE C O 6372 C CB . ILE C 268 ? 0.8324 0.7934 0.8530 0.0145 0.0316 0.0267 270 ILE C CB 6373 C CG1 . ILE C 268 ? 0.8468 0.8122 0.8708 0.0137 0.0300 0.0274 270 ILE C CG1 6374 C CG2 . ILE C 268 ? 0.8186 0.7775 0.8359 0.0151 0.0322 0.0256 270 ILE C CG2 6375 C CD1 . ILE C 268 ? 0.7509 0.7180 0.7734 0.0127 0.0280 0.0260 270 ILE C CD1 6376 N N . ALA C 269 ? 0.9274 0.8816 0.9470 0.0183 0.0375 0.0287 271 ALA C N 6377 C CA . ALA C 269 ? 0.8382 0.7880 0.8552 0.0198 0.0399 0.0287 271 ALA C CA 6378 C C . ALA C 269 ? 0.8562 0.8023 0.8677 0.0196 0.0399 0.0267 271 ALA C C 6379 O O . ALA C 269 ? 0.8631 0.8098 0.8725 0.0188 0.0384 0.0254 271 ALA C O 6380 C CB . ALA C 269 ? 0.8540 0.8044 0.8725 0.0212 0.0414 0.0299 271 ALA C CB 6381 N N . ASN C 270 ? 0.9096 0.8516 0.9187 0.0203 0.0414 0.0265 272 ASN C N 6382 C CA . ASN C 270 ? 0.9221 0.8597 0.9257 0.0202 0.0416 0.0247 272 ASN C CA 6383 C C . ASN C 270 ? 0.9198 0.8578 0.9213 0.0184 0.0391 0.0231 272 ASN C C 6384 O O . ASN C 270 ? 0.8494 0.7838 0.8464 0.0182 0.0390 0.0216 272 ASN C O 6385 C CB . ASN C 270 ? 0.9738 0.9098 0.9747 0.0211 0.0425 0.0242 272 ASN C CB 6386 C CG . ASN C 270 ? 0.9865 0.9178 0.9847 0.0229 0.0453 0.0244 272 ASN C CG 6387 O OD1 . ASN C 270 ? 1.0069 0.9348 1.0031 0.0230 0.0462 0.0241 272 ASN C OD1 6388 N ND2 . ASN C 270 ? 0.9345 0.8654 0.9326 0.0241 0.0468 0.0250 272 ASN C ND2 6389 N N . ALA C 271 ? 0.8835 0.8258 0.8882 0.0172 0.0371 0.0233 273 ALA C N 6390 C CA . ALA C 271 ? 0.8298 0.7730 0.8330 0.0155 0.0347 0.0220 273 ALA C CA 6391 C C . ALA C 271 ? 0.7797 0.7201 0.7810 0.0149 0.0346 0.0214 273 ALA C C 6392 O O . ALA C 271 ? 0.8096 0.7496 0.8087 0.0137 0.0328 0.0202 273 ALA C O 6393 C CB . ALA C 271 ? 0.7727 0.7210 0.7798 0.0144 0.0328 0.0226 273 ALA C CB 6394 N N . GLY C 272 ? 0.7642 0.7028 0.7666 0.0159 0.0364 0.0224 274 GLY C N 6395 C CA . GLY C 272 ? 0.7089 0.6452 0.7101 0.0154 0.0363 0.0221 274 GLY C CA 6396 C C . GLY C 272 ? 0.6559 0.5960 0.6611 0.0143 0.0349 0.0230 274 GLY C C 6397 O O . GLY C 272 ? 0.6606 0.6050 0.6694 0.0140 0.0340 0.0238 274 GLY C O 6398 N N . VAL C 273 ? 0.5597 0.4982 0.5645 0.0138 0.0346 0.0228 275 VAL C N 6399 C CA . VAL C 273 ? 0.4837 0.4257 0.4922 0.0128 0.0333 0.0236 275 VAL C CA 6400 C C . VAL C 273 ? 0.4382 0.3833 0.4467 0.0112 0.0307 0.0227 275 VAL C C 6401 O O . VAL C 273 ? 0.4734 0.4169 0.4783 0.0105 0.0297 0.0213 275 VAL C O 6402 C CB . VAL C 273 ? 0.4929 0.4323 0.5008 0.0126 0.0337 0.0237 275 VAL C CB 6403 C CG1 . VAL C 273 ? 0.4722 0.4083 0.4754 0.0117 0.0326 0.0219 275 VAL C CG1 6404 C CG2 . VAL C 273 ? 0.4313 0.3745 0.4435 0.0117 0.0326 0.0248 275 VAL C CG2 6405 N N . LYS C 274 ? 0.4401 0.3898 0.4527 0.0106 0.0297 0.0237 276 LYS C N 6406 C CA . LYS C 274 ? 0.3977 0.3505 0.4107 0.0091 0.0273 0.0231 276 LYS C CA 6407 C C . LYS C 274 ? 0.4640 0.4194 0.4801 0.0082 0.0263 0.0239 276 LYS C C 6408 O O . LYS C 274 ? 0.4423 0.3973 0.4606 0.0088 0.0275 0.0251 276 LYS C O 6409 C CB . LYS C 274 ? 0.3868 0.3429 0.4014 0.0092 0.0268 0.0233 276 LYS C CB 6410 C CG . LYS C 274 ? 0.4110 0.3649 0.4227 0.0100 0.0276 0.0225 276 LYS C CG 6411 C CD . LYS C 274 ? 0.3871 0.3390 0.3947 0.0092 0.0264 0.0208 276 LYS C CD 6412 C CE . LYS C 274 ? 0.4477 0.3977 0.4524 0.0099 0.0271 0.0200 276 LYS C CE 6413 N NZ . LYS C 274 ? 0.3897 0.3379 0.3906 0.0090 0.0258 0.0184 276 LYS C NZ 6414 N N . ILE C 275 ? 0.4195 0.3773 0.4357 0.0069 0.0242 0.0233 277 ILE C N 6415 C CA . ILE C 275 ? 0.3656 0.3262 0.3847 0.0059 0.0231 0.0241 277 ILE C CA 6416 C C . ILE C 275 ? 0.3436 0.3087 0.3651 0.0053 0.0218 0.0244 277 ILE C C 6417 O O . ILE C 275 ? 0.3653 0.3312 0.3854 0.0050 0.0208 0.0235 277 ILE C O 6418 C CB . ILE C 275 ? 0.3528 0.3120 0.3699 0.0048 0.0218 0.0232 277 ILE C CB 6419 C CG1 . ILE C 275 ? 0.3586 0.3202 0.3787 0.0040 0.0211 0.0241 277 ILE C CG1 6420 C CG2 . ILE C 275 ? 0.3551 0.3151 0.3699 0.0039 0.0201 0.0218 277 ILE C CG2 6421 C CD1 . ILE C 275 ? 0.3330 0.2930 0.3514 0.0031 0.0200 0.0235 277 ILE C CD1 6422 N N . GLU C 276 ? 0.3491 0.3170 0.3743 0.0052 0.0217 0.0258 278 GLU C N 6423 C CA . GLU C 276 ? 0.3545 0.3266 0.3819 0.0045 0.0203 0.0261 278 GLU C CA 6424 C C . GLU C 276 ? 0.3146 0.2885 0.3433 0.0033 0.0189 0.0264 278 GLU C C 6425 O O . GLU C 276 ? 0.3382 0.3110 0.3677 0.0033 0.0195 0.0270 278 GLU C O 6426 C CB . GLU C 276 ? 0.3585 0.3326 0.3891 0.0052 0.0210 0.0275 278 GLU C CB 6427 C CG . GLU C 276 ? 0.4082 0.3812 0.4377 0.0062 0.0220 0.0273 278 GLU C CG 6428 C CD . GLU C 276 ? 0.4232 0.3987 0.4561 0.0067 0.0224 0.0288 278 GLU C CD 6429 O OE1 . GLU C 276 ? 0.3583 0.3361 0.3942 0.0062 0.0219 0.0300 278 GLU C OE1 6430 O OE2 . GLU C 276 ? 0.5029 0.4779 0.5353 0.0075 0.0232 0.0287 278 GLU C OE2 6431 N N . CYS C 277 ? 0.3014 0.2780 0.3302 0.0024 0.0173 0.0259 279 CYS C N 6432 C CA . CYS C 277 ? 0.2892 0.2676 0.3189 0.0012 0.0159 0.0260 279 CYS C CA 6433 C C . CYS C 277 ? 0.2561 0.2385 0.2879 0.0005 0.0147 0.0265 279 CYS C C 6434 O O . CYS C 277 ? 0.2190 0.2028 0.2499 -0.0002 0.0134 0.0257 279 CYS C O 6435 C CB . CYS C 277 ? 0.2388 0.2155 0.2655 0.0006 0.0150 0.0247 279 CYS C CB 6436 S SG . CYS C 277 ? 0.4200 0.3919 0.4442 0.0009 0.0161 0.0242 279 CYS C SG 6437 N N . PRO C 278 ? 0.2580 0.2422 0.2927 0.0008 0.0151 0.0278 280 PRO C N 6438 C CA . PRO C 278 ? 0.2948 0.2826 0.3313 0.0001 0.0139 0.0283 280 PRO C CA 6439 C C . PRO C 278 ? 0.3350 0.3245 0.3724 -0.0009 0.0127 0.0285 280 PRO C C 6440 O O . PRO C 278 ? 0.2824 0.2707 0.3203 -0.0010 0.0131 0.0290 280 PRO C O 6441 C CB . PRO C 278 ? 0.2577 0.2464 0.2970 0.0007 0.0147 0.0298 280 PRO C CB 6442 C CG . PRO C 278 ? 0.3346 0.3207 0.3743 0.0013 0.0161 0.0304 280 PRO C CG 6443 C CD . PRO C 278 ? 0.2941 0.2770 0.3305 0.0017 0.0166 0.0290 280 PRO C CD 6444 N N . SER C 279 ? 0.2984 0.2905 0.3358 -0.0017 0.0114 0.0282 281 SER C N 6445 C CA . SER C 279 ? 0.2945 0.2884 0.3326 -0.0026 0.0103 0.0285 281 SER C CA 6446 C C . SER C 279 ? 0.3407 0.3372 0.3816 -0.0030 0.0100 0.0298 281 SER C C 6447 O O . SER C 279 ? 0.3157 0.3134 0.3575 -0.0027 0.0100 0.0302 281 SER C O 6448 C CB . SER C 279 ? 0.2561 0.2512 0.2925 -0.0032 0.0091 0.0274 281 SER C CB 6449 O OG . SER C 279 ? 0.2633 0.2559 0.2972 -0.0032 0.0092 0.0263 281 SER C OG 6450 N N . LYS C 280 ? 0.3611 0.3583 0.4033 -0.0036 0.0096 0.0306 282 LYS C N 6451 C CA . LYS C 280 ? 0.3773 0.3770 0.4221 -0.0040 0.0091 0.0320 282 LYS C CA 6452 C C . LYS C 280 ? 0.3889 0.3905 0.4339 -0.0050 0.0079 0.0320 282 LYS C C 6453 O O . LYS C 280 ? 0.3908 0.3915 0.4347 -0.0053 0.0077 0.0314 282 LYS C O 6454 C CB . LYS C 280 ? 0.3151 0.3138 0.3621 -0.0036 0.0102 0.0333 282 LYS C CB 6455 C CG . LYS C 280 ? 0.4320 0.4283 0.4787 -0.0025 0.0116 0.0333 282 LYS C CG 6456 C CD . LYS C 280 ? 0.6384 0.6356 0.6878 -0.0022 0.0122 0.0349 282 LYS C CD 6457 C CE . LYS C 280 ? 0.5658 0.5609 0.6149 -0.0010 0.0136 0.0349 282 LYS C CE 6458 N NZ . LYS C 280 ? 0.5721 0.5682 0.6244 -0.0007 0.0141 0.0367 282 LYS C NZ 6459 N N . ILE C 281 ? 0.2625 0.2668 0.3088 -0.0056 0.0071 0.0327 283 ILE C N 6460 C CA . ILE C 281 ? 0.1950 0.2013 0.2419 -0.0065 0.0061 0.0331 283 ILE C CA 6461 C C . ILE C 281 ? 0.2596 0.2664 0.3090 -0.0068 0.0063 0.0346 283 ILE C C 6462 O O . ILE C 281 ? 0.2850 0.2927 0.3362 -0.0067 0.0064 0.0357 283 ILE C O 6463 C CB . ILE C 281 ? 0.2572 0.2661 0.3039 -0.0069 0.0051 0.0330 283 ILE C CB 6464 C CG1 . ILE C 281 ? 0.2618 0.2703 0.3061 -0.0067 0.0050 0.0316 283 ILE C CG1 6465 C CG2 . ILE C 281 ? 0.2450 0.2560 0.2924 -0.0078 0.0042 0.0336 283 ILE C CG2 6466 C CD1 . ILE C 281 ? 0.2507 0.2615 0.2945 -0.0070 0.0041 0.0314 283 ILE C CD1 6467 N N . LEU C 282 ? 0.2692 0.2753 0.3188 -0.0071 0.0063 0.0347 284 LEU C N 6468 C CA . LEU C 282 ? 0.2738 0.2802 0.3258 -0.0073 0.0065 0.0361 284 LEU C CA 6469 C C . LEU C 282 ? 0.2701 0.2785 0.3227 -0.0083 0.0055 0.0366 284 LEU C C 6470 O O . LEU C 282 ? 0.2722 0.2810 0.3232 -0.0086 0.0048 0.0357 284 LEU C O 6471 C CB . LEU C 282 ? 0.2454 0.2488 0.2973 -0.0068 0.0076 0.0361 284 LEU C CB 6472 C CG . LEU C 282 ? 0.3012 0.3024 0.3528 -0.0057 0.0089 0.0359 284 LEU C CG 6473 C CD1 . LEU C 282 ? 0.2846 0.2827 0.3360 -0.0052 0.0101 0.0359 284 LEU C CD1 6474 C CD2 . LEU C 282 ? 0.2481 0.2507 0.3022 -0.0056 0.0092 0.0374 284 LEU C CD2 6475 N N . ASN C 283 ? 0.3058 0.3154 0.3609 -0.0087 0.0054 0.0380 285 ASN C N 6476 C CA . ASN C 283 ? 0.3110 0.3224 0.3669 -0.0096 0.0045 0.0387 285 ASN C CA 6477 C C . ASN C 283 ? 0.3176 0.3272 0.3735 -0.0096 0.0048 0.0386 285 ASN C C 6478 O O . ASN C 283 ? 0.3227 0.3298 0.3787 -0.0090 0.0058 0.0385 285 ASN C O 6479 C CB . ASN C 283 ? 0.3006 0.3140 0.3591 -0.0101 0.0042 0.0404 285 ASN C CB 6480 C CG . ASN C 283 ? 0.2374 0.2528 0.2957 -0.0103 0.0035 0.0405 285 ASN C CG 6481 O OD1 . ASN C 283 ? 0.2189 0.2350 0.2752 -0.0104 0.0030 0.0394 285 ASN C OD1 6482 N ND2 . ASN C 283 ? 0.2534 0.2698 0.3138 -0.0105 0.0035 0.0419 285 ASN C ND2 6483 N N . PRO C 284 ? 0.3061 0.3170 0.3620 -0.0103 0.0039 0.0386 286 PRO C N 6484 C CA . PRO C 284 ? 0.2732 0.2826 0.3295 -0.0105 0.0041 0.0387 286 PRO C CA 6485 C C . PRO C 284 ? 0.3037 0.3123 0.3624 -0.0103 0.0049 0.0400 286 PRO C C 6486 O O . PRO C 284 ? 0.2736 0.2840 0.3342 -0.0105 0.0048 0.0412 286 PRO C O 6487 C CB . PRO C 284 ? 0.2678 0.2797 0.3245 -0.0114 0.0029 0.0391 286 PRO C CB 6488 C CG . PRO C 284 ? 0.2381 0.2519 0.2934 -0.0115 0.0023 0.0385 286 PRO C CG 6489 C CD . PRO C 284 ? 0.2538 0.2676 0.3095 -0.0110 0.0028 0.0387 286 PRO C CD 6490 N N . GLY C 285 ? 0.3130 0.3188 0.3715 -0.0100 0.0056 0.0398 287 GLY C N 6491 C CA . GLY C 285 ? 0.2481 0.2531 0.3090 -0.0097 0.0065 0.0411 287 GLY C CA 6492 C C . GLY C 285 ? 0.2296 0.2307 0.2893 -0.0089 0.0077 0.0404 287 GLY C C 6493 O O . GLY C 285 ? 0.2576 0.2567 0.3145 -0.0087 0.0077 0.0390 287 GLY C O 6494 N N . THR C 286 ? 0.3502 0.3502 0.4118 -0.0085 0.0088 0.0415 288 THR C N 6495 C CA . THR C 286 ? 0.3346 0.3306 0.3951 -0.0076 0.0101 0.0410 288 THR C CA 6496 C C . THR C 286 ? 0.3454 0.3404 0.4064 -0.0066 0.0115 0.0413 288 THR C C 6497 O O . THR C 286 ? 0.4185 0.4153 0.4821 -0.0066 0.0117 0.0428 288 THR C O 6498 C CB . THR C 286 ? 0.3718 0.3668 0.4341 -0.0078 0.0104 0.0420 288 THR C CB 6499 O OG1 . THR C 286 ? 0.4007 0.3965 0.4624 -0.0087 0.0091 0.0416 288 THR C OG1 6500 C CG2 . THR C 286 ? 0.3822 0.3729 0.4433 -0.0068 0.0120 0.0415 288 THR C CG2 6501 N N . TYR C 287 ? 0.3229 0.3148 0.3813 -0.0057 0.0124 0.0401 289 TYR C N 6502 C CA . TYR C 287 ? 0.3456 0.3366 0.4043 -0.0047 0.0137 0.0403 289 TYR C CA 6503 C C . TYR C 287 ? 0.3592 0.3461 0.4170 -0.0037 0.0155 0.0401 289 TYR C C 6504 O O . TYR C 287 ? 0.3439 0.3281 0.3995 -0.0037 0.0155 0.0391 289 TYR C O 6505 C CB . TYR C 287 ? 0.2618 0.2532 0.3181 -0.0046 0.0133 0.0390 289 TYR C CB 6506 C CG . TYR C 287 ? 0.3059 0.3012 0.3631 -0.0054 0.0118 0.0393 289 TYR C CG 6507 C CD1 . TYR C 287 ? 0.2628 0.2596 0.3191 -0.0064 0.0103 0.0387 289 TYR C CD1 6508 C CD2 . TYR C 287 ? 0.3268 0.3240 0.3857 -0.0053 0.0118 0.0402 289 TYR C CD2 6509 C CE1 . TYR C 287 ? 0.2635 0.2637 0.3205 -0.0071 0.0091 0.0390 289 TYR C CE1 6510 C CE2 . TYR C 287 ? 0.2981 0.2986 0.3576 -0.0061 0.0105 0.0404 289 TYR C CE2 6511 C CZ . TYR C 287 ? 0.3084 0.3103 0.3668 -0.0069 0.0092 0.0398 289 TYR C CZ 6512 O OH . TYR C 287 ? 0.3089 0.3139 0.3676 -0.0076 0.0080 0.0400 289 TYR C OH 6513 N N . SER C 288 ? 0.3762 0.3625 0.4356 -0.0027 0.0169 0.0412 290 SER C N 6514 C CA . SER C 288 ? 0.4071 0.3895 0.4660 -0.0016 0.0188 0.0412 290 SER C CA 6515 C C . SER C 288 ? 0.3837 0.3639 0.4403 -0.0005 0.0199 0.0403 290 SER C C 6516 O O . SER C 288 ? 0.3168 0.2989 0.3735 -0.0004 0.0196 0.0403 290 SER C O 6517 C CB . SER C 288 ? 0.3894 0.3725 0.4522 -0.0012 0.0199 0.0433 290 SER C CB 6518 O OG . SER C 288 ? 0.5910 0.5771 0.6564 -0.0023 0.0186 0.0445 290 SER C OG 6519 N N . ILE C 289 ? 0.3204 0.2965 0.3748 0.0004 0.0213 0.0395 291 ILE C N 6520 C CA . ILE C 289 ? 0.3565 0.3300 0.4086 0.0016 0.0227 0.0387 291 ILE C CA 6521 C C . ILE C 289 ? 0.3559 0.3260 0.4085 0.0029 0.0250 0.0395 291 ILE C C 6522 O O . ILE C 289 ? 0.3661 0.3344 0.4189 0.0028 0.0254 0.0397 291 ILE C O 6523 C CB . ILE C 289 ? 0.3768 0.3481 0.4245 0.0014 0.0220 0.0366 291 ILE C CB 6524 C CG1 . ILE C 289 ? 0.3584 0.3332 0.4058 0.0002 0.0198 0.0359 291 ILE C CG1 6525 C CG2 . ILE C 289 ? 0.3158 0.2844 0.3610 0.0026 0.0234 0.0357 291 ILE C CG2 6526 C CD1 . ILE C 289 ? 0.2989 0.2719 0.3424 -0.0003 0.0189 0.0340 291 ILE C CD1 6527 N N . LYS C 290 ? 0.3999 0.3692 0.4528 0.0041 0.0265 0.0399 292 LYS C N 6528 C CA . LYS C 290 ? 0.4350 0.4006 0.4877 0.0055 0.0289 0.0405 292 LYS C CA 6529 C C . LYS C 290 ? 0.4299 0.3931 0.4795 0.0066 0.0300 0.0393 292 LYS C C 6530 O O . LYS C 290 ? 0.3565 0.3219 0.4063 0.0065 0.0293 0.0392 292 LYS C O 6531 C CB . LYS C 290 ? 0.4534 0.4209 0.5108 0.0060 0.0300 0.0429 292 LYS C CB 6532 C CG . LYS C 290 ? 0.4669 0.4369 0.5277 0.0050 0.0290 0.0443 292 LYS C CG 6533 C CD . LYS C 290 ? 0.5731 0.5406 0.6355 0.0059 0.0309 0.0455 292 LYS C CD 6534 C CE . LYS C 290 ? 0.5603 0.5304 0.6262 0.0048 0.0299 0.0469 292 LYS C CE 6535 N NZ . LYS C 290 ? 0.6269 0.5970 0.6908 0.0036 0.0282 0.0456 292 LYS C NZ 6536 N N . SER C 291 ? 0.3795 0.3380 0.4262 0.0076 0.0316 0.0385 293 SER C N 6537 C CA . SER C 291 ? 0.4370 0.3930 0.4806 0.0086 0.0327 0.0374 293 SER C CA 6538 C C . SER C 291 ? 0.4494 0.4005 0.4913 0.0102 0.0353 0.0375 293 SER C C 6539 O O . SER C 291 ? 0.4092 0.3584 0.4516 0.0104 0.0361 0.0380 293 SER C O 6540 C CB . SER C 291 ? 0.3990 0.3541 0.4383 0.0078 0.0311 0.0352 293 SER C CB 6541 O OG . SER C 291 ? 0.4611 0.4123 0.4972 0.0077 0.0313 0.0341 293 SER C OG 6542 N N . THR C 292 ? 0.4126 0.3619 0.4524 0.0113 0.0366 0.0370 294 THR C N 6543 C CA . THR C 292 ? 0.4731 0.4175 0.5106 0.0129 0.0391 0.0369 294 THR C CA 6544 C C . THR C 292 ? 0.4991 0.4394 0.5327 0.0126 0.0389 0.0353 294 THR C C 6545 O O . THR C 292 ? 0.5331 0.4737 0.5643 0.0113 0.0369 0.0337 294 THR C O 6546 C CB . THR C 292 ? 0.4756 0.4187 0.5107 0.0140 0.0402 0.0362 294 THR C CB 6547 O OG1 . THR C 292 ? 0.5148 0.4534 0.5484 0.0157 0.0429 0.0365 294 THR C OG1 6548 C CG2 . THR C 292 ? 0.4334 0.3754 0.4640 0.0132 0.0385 0.0339 294 THR C CG2 6549 N N . PRO C 293 ? 0.5029 0.4391 0.5357 0.0137 0.0410 0.0357 295 PRO C N 6550 C CA . PRO C 293 ? 0.5144 0.4465 0.5437 0.0133 0.0409 0.0343 295 PRO C CA 6551 C C . PRO C 293 ? 0.5695 0.4991 0.5934 0.0127 0.0397 0.0320 295 PRO C C 6552 O O . PRO C 293 ? 0.5391 0.4680 0.5612 0.0115 0.0380 0.0309 295 PRO C O 6553 C CB . PRO C 293 ? 0.5604 0.4882 0.5892 0.0151 0.0439 0.0351 295 PRO C CB 6554 C CG . PRO C 293 ? 0.6257 0.5568 0.6599 0.0158 0.0451 0.0375 295 PRO C CG 6555 C CD . PRO C 293 ? 0.5084 0.4440 0.5442 0.0153 0.0436 0.0376 295 PRO C CD 6556 N N . ARG C 294 ? 0.6115 0.5399 0.6330 0.0135 0.0405 0.0313 296 ARG C N 6557 C CA . ARG C 294 ? 0.6023 0.5278 0.6184 0.0131 0.0396 0.0291 296 ARG C CA 6558 C C . ARG C 294 ? 0.5968 0.5255 0.6126 0.0113 0.0365 0.0281 296 ARG C C 6559 O O . ARG C 294 ? 0.5470 0.4735 0.5595 0.0103 0.0352 0.0267 296 ARG C O 6560 C CB . ARG C 294 ? 0.5935 0.5176 0.6076 0.0144 0.0411 0.0288 296 ARG C CB 6561 C CG . ARG C 294 ? 0.5909 0.5114 0.5992 0.0142 0.0404 0.0267 296 ARG C CG 6562 C CD . ARG C 294 ? 0.6406 0.5554 0.6449 0.0143 0.0412 0.0257 296 ARG C CD 6563 N NE . ARG C 294 ? 0.6459 0.5573 0.6445 0.0138 0.0402 0.0236 296 ARG C NE 6564 C CZ . ARG C 294 ? 0.6583 0.5663 0.6532 0.0149 0.0416 0.0228 296 ARG C CZ 6565 N NH1 . ARG C 294 ? 0.6600 0.5676 0.6563 0.0167 0.0442 0.0239 296 ARG C NH1 6566 N NH2 . ARG C 294 ? 0.6673 0.5724 0.6571 0.0143 0.0405 0.0210 296 ARG C NH2 6567 N N . PHE C 295 ? 0.4999 0.4339 0.5192 0.0108 0.0354 0.0289 297 PHE C N 6568 C CA . PHE C 295 ? 0.5058 0.4428 0.5246 0.0092 0.0327 0.0280 297 PHE C CA 6569 C C . PHE C 295 ? 0.5148 0.4572 0.5383 0.0081 0.0312 0.0292 297 PHE C C 6570 O O . PHE C 295 ? 0.4572 0.4025 0.4846 0.0086 0.0318 0.0307 297 PHE C O 6571 C CB . PHE C 295 ? 0.5055 0.4433 0.5228 0.0095 0.0326 0.0273 297 PHE C CB 6572 C CG . PHE C 295 ? 0.4921 0.4250 0.5043 0.0103 0.0336 0.0258 297 PHE C CG 6573 C CD1 . PHE C 295 ? 0.4654 0.3945 0.4736 0.0096 0.0329 0.0244 297 PHE C CD1 6574 C CD2 . PHE C 295 ? 0.4721 0.4040 0.4833 0.0116 0.0352 0.0258 297 PHE C CD2 6575 C CE1 . PHE C 295 ? 0.4959 0.4202 0.4990 0.0102 0.0337 0.0230 297 PHE C CE1 6576 C CE2 . PHE C 295 ? 0.4419 0.3691 0.4482 0.0123 0.0362 0.0245 297 PHE C CE2 6577 C CZ . PHE C 295 ? 0.4875 0.4109 0.4897 0.0115 0.0354 0.0231 297 PHE C CZ 6578 N N . LEU C 296 ? 0.4048 0.3483 0.4277 0.0066 0.0290 0.0285 298 LEU C N 6579 C CA . LEU C 296 ? 0.3982 0.3467 0.4251 0.0055 0.0273 0.0294 298 LEU C CA 6580 C C . LEU C 296 ? 0.3375 0.2884 0.3630 0.0041 0.0250 0.0283 298 LEU C C 6581 O O . LEU C 296 ? 0.3534 0.3018 0.3753 0.0037 0.0242 0.0269 298 LEU C O 6582 C CB . LEU C 296 ? 0.3967 0.3446 0.4250 0.0049 0.0272 0.0301 298 LEU C CB 6583 C CG . LEU C 296 ? 0.3792 0.3319 0.4111 0.0036 0.0253 0.0310 298 LEU C CG 6584 C CD1 . LEU C 296 ? 0.3632 0.3196 0.3994 0.0040 0.0259 0.0328 298 LEU C CD1 6585 C CD2 . LEU C 296 ? 0.3587 0.3103 0.3913 0.0030 0.0249 0.0313 298 LEU C CD2 6586 N N . LEU C 297 ? 0.3777 0.3333 0.4063 0.0036 0.0239 0.0291 299 LEU C N 6587 C CA . LEU C 297 ? 0.3767 0.3350 0.4045 0.0024 0.0217 0.0282 299 LEU C CA 6588 C C . LEU C 297 ? 0.3872 0.3495 0.4183 0.0012 0.0202 0.0291 299 LEU C C 6589 O O . LEU C 297 ? 0.3752 0.3401 0.4098 0.0013 0.0205 0.0305 299 LEU C O 6590 C CB . LEU C 297 ? 0.3439 0.3041 0.3717 0.0027 0.0217 0.0280 299 LEU C CB 6591 C CG . LEU C 297 ? 0.4036 0.3605 0.4281 0.0038 0.0229 0.0269 299 LEU C CG 6592 C CD1 . LEU C 297 ? 0.3563 0.3156 0.3817 0.0042 0.0231 0.0271 299 LEU C CD1 6593 C CD2 . LEU C 297 ? 0.3868 0.3410 0.4071 0.0031 0.0219 0.0252 299 LEU C CD2 6594 N N . VAL C 298 ? 0.3134 0.2759 0.3431 0.0000 0.0185 0.0283 300 VAL C N 6595 C CA . VAL C 298 ? 0.2903 0.2563 0.3227 -0.0011 0.0170 0.0291 300 VAL C CA 6596 C C . VAL C 298 ? 0.3210 0.2897 0.3527 -0.0021 0.0151 0.0284 300 VAL C C 6597 O O . VAL C 298 ? 0.2986 0.2655 0.3272 -0.0026 0.0143 0.0271 300 VAL C O 6598 C CB . VAL C 298 ? 0.2569 0.2209 0.2891 -0.0016 0.0168 0.0292 300 VAL C CB 6599 C CG1 . VAL C 298 ? 0.1905 0.1582 0.2259 -0.0026 0.0155 0.0303 300 VAL C CG1 6600 C CG2 . VAL C 298 ? 0.2916 0.2522 0.3240 -0.0005 0.0188 0.0298 300 VAL C CG2 6601 N N . PRO C 299 ? 0.3299 0.3029 0.3642 -0.0025 0.0144 0.0291 301 PRO C N 6602 C CA . PRO C 299 ? 0.3799 0.3555 0.4137 -0.0035 0.0126 0.0286 301 PRO C CA 6603 C C . PRO C 299 ? 0.3706 0.3458 0.4039 -0.0045 0.0114 0.0283 301 PRO C C 6604 O O . PRO C 299 ? 0.3650 0.3395 0.3996 -0.0047 0.0116 0.0291 301 PRO C O 6605 C CB . PRO C 299 ? 0.3722 0.3522 0.4094 -0.0037 0.0122 0.0297 301 PRO C CB 6606 C CG . PRO C 299 ? 0.3439 0.3233 0.3826 -0.0027 0.0139 0.0306 301 PRO C CG 6607 C CD . PRO C 299 ? 0.3577 0.3331 0.3954 -0.0021 0.0151 0.0306 301 PRO C CD 6608 N N . LYS C 300 ? 0.2875 0.2631 0.3189 -0.0053 0.0100 0.0274 302 LYS C N 6609 C CA . LYS C 300 ? 0.2487 0.2235 0.2792 -0.0062 0.0088 0.0272 302 LYS C CA 6610 C C . LYS C 300 ? 0.2344 0.2126 0.2654 -0.0072 0.0071 0.0271 302 LYS C C 6611 O O . LYS C 300 ? 0.2505 0.2291 0.2815 -0.0081 0.0059 0.0272 302 LYS C O 6612 C CB . LYS C 300 ? 0.2726 0.2428 0.2994 -0.0061 0.0090 0.0259 302 LYS C CB 6613 C CG . LYS C 300 ? 0.2151 0.1834 0.2409 -0.0070 0.0080 0.0258 302 LYS C CG 6614 C CD . LYS C 300 ? 0.2885 0.2567 0.3167 -0.0070 0.0085 0.0269 302 LYS C CD 6615 C CE . LYS C 300 ? 0.2813 0.2478 0.3087 -0.0079 0.0074 0.0268 302 LYS C CE 6616 N NZ . LYS C 300 ? 0.3025 0.2696 0.3327 -0.0080 0.0077 0.0281 302 LYS C NZ 6617 N N . ARG C 301 ? 0.2574 0.2381 0.2888 -0.0069 0.0071 0.0270 303 ARG C N 6618 C CA . ARG C 301 ? 0.2232 0.2072 0.2551 -0.0077 0.0057 0.0269 303 ARG C CA 6619 C C . ARG C 301 ? 0.2383 0.2257 0.2723 -0.0074 0.0059 0.0276 303 ARG C C 6620 O O . ARG C 301 ? 0.2498 0.2370 0.2846 -0.0066 0.0071 0.0278 303 ARG C O 6621 C CB . ARG C 301 ? 0.1977 0.1805 0.2268 -0.0078 0.0051 0.0257 303 ARG C CB 6622 C CG . ARG C 301 ? 0.2433 0.2232 0.2703 -0.0084 0.0044 0.0251 303 ARG C CG 6623 C CD . ARG C 301 ? 0.2322 0.2113 0.2566 -0.0087 0.0036 0.0241 303 ARG C CD 6624 N NE . ARG C 301 ? 0.2594 0.2361 0.2821 -0.0095 0.0026 0.0238 303 ARG C NE 6625 C CZ . ARG C 301 ? 0.2681 0.2441 0.2888 -0.0100 0.0016 0.0231 303 ARG C CZ 6626 N NH1 . ARG C 301 ? 0.2603 0.2380 0.2805 -0.0098 0.0014 0.0227 303 ARG C NH1 6627 N NH2 . ARG C 301 ? 0.2175 0.1911 0.2366 -0.0108 0.0006 0.0229 303 ARG C NH2 6628 N N . SER C 302 ? 0.1929 0.1836 0.2279 -0.0081 0.0048 0.0278 304 SER C N 6629 C CA . SER C 302 ? 0.1885 0.1825 0.2251 -0.0079 0.0048 0.0283 304 SER C CA 6630 C C . SER C 302 ? 0.2169 0.2134 0.2531 -0.0086 0.0036 0.0280 304 SER C C 6631 O O . SER C 302 ? 0.2061 0.2021 0.2413 -0.0091 0.0027 0.0277 304 SER C O 6632 C CB . SER C 302 ? 0.1871 0.1830 0.2265 -0.0081 0.0049 0.0296 304 SER C CB 6633 O OG . SER C 302 ? 0.2127 0.2105 0.2532 -0.0090 0.0039 0.0302 304 SER C OG 6634 N N . TYR C 303 ? 0.1514 0.1506 0.1885 -0.0084 0.0035 0.0282 305 TYR C N 6635 C CA . TYR C 303 ? 0.1821 0.1841 0.2194 -0.0090 0.0024 0.0283 305 TYR C CA 6636 C C . TYR C 303 ? 0.2141 0.2188 0.2537 -0.0094 0.0022 0.0294 305 TYR C C 6637 O O . TYR C 303 ? 0.2148 0.2202 0.2556 -0.0090 0.0027 0.0300 305 TYR C O 6638 C CB . TYR C 303 ? 0.2077 0.2105 0.2438 -0.0086 0.0024 0.0275 305 TYR C CB 6639 C CG . TYR C 303 ? 0.1754 0.1762 0.2092 -0.0086 0.0022 0.0264 305 TYR C CG 6640 C CD1 . TYR C 303 ? 0.1513 0.1490 0.1835 -0.0080 0.0030 0.0257 305 TYR C CD1 6641 C CD2 . TYR C 303 ? 0.1709 0.1729 0.2041 -0.0092 0.0012 0.0262 305 TYR C CD2 6642 C CE1 . TYR C 303 ? 0.1947 0.1906 0.2248 -0.0081 0.0027 0.0247 305 TYR C CE1 6643 C CE2 . TYR C 303 ? 0.1666 0.1668 0.1978 -0.0092 0.0009 0.0253 305 TYR C CE2 6644 C CZ . TYR C 303 ? 0.1875 0.1846 0.2170 -0.0087 0.0016 0.0246 305 TYR C CZ 6645 O OH . TYR C 303 ? 0.1916 0.1870 0.2191 -0.0089 0.0012 0.0237 305 TYR C OH 6646 N N . CYS C 304 ? 0.2355 0.2419 0.2758 -0.0101 0.0013 0.0299 306 CYS C N 6647 C CA . CYS C 304 ? 0.2282 0.2372 0.2706 -0.0105 0.0010 0.0311 306 CYS C CA 6648 C C . CYS C 304 ? 0.2257 0.2375 0.2680 -0.0107 0.0005 0.0311 306 CYS C C 6649 O O . CYS C 304 ? 0.2355 0.2479 0.2768 -0.0108 0.0000 0.0306 306 CYS C O 6650 C CB . CYS C 304 ? 0.2504 0.2593 0.2936 -0.0112 0.0004 0.0317 306 CYS C CB 6651 S SG . CYS C 304 ? 0.3334 0.3460 0.3788 -0.0119 -0.0003 0.0331 306 CYS C SG 6652 N N . PHE C 305 ? 0.2024 0.2159 0.2458 -0.0106 0.0007 0.0317 307 PHE C N 6653 C CA . PHE C 305 ? 0.2317 0.2477 0.2749 -0.0107 0.0003 0.0318 307 PHE C CA 6654 C C . PHE C 305 ? 0.2742 0.2924 0.3192 -0.0112 0.0000 0.0331 307 PHE C C 6655 O O . PHE C 305 ? 0.2890 0.3067 0.3355 -0.0113 0.0002 0.0339 307 PHE C O 6656 C CB . PHE C 305 ? 0.2158 0.2316 0.2582 -0.0101 0.0008 0.0312 307 PHE C CB 6657 C CG . PHE C 305 ? 0.2024 0.2163 0.2431 -0.0096 0.0011 0.0300 307 PHE C CG 6658 C CD1 . PHE C 305 ? 0.1730 0.1842 0.2135 -0.0092 0.0018 0.0298 307 PHE C CD1 6659 C CD2 . PHE C 305 ? 0.2342 0.2487 0.2735 -0.0094 0.0009 0.0292 307 PHE C CD2 6660 C CE1 . PHE C 305 ? 0.1966 0.2059 0.2354 -0.0087 0.0021 0.0287 307 PHE C CE1 6661 C CE2 . PHE C 305 ? 0.1962 0.2089 0.2339 -0.0090 0.0012 0.0282 307 PHE C CE2 6662 C CZ . PHE C 305 ? 0.2270 0.2371 0.2644 -0.0086 0.0018 0.0279 307 PHE C CZ 6663 N N . ASP C 306 ? 0.2153 0.2358 0.2601 -0.0115 -0.0005 0.0333 308 ASP C N 6664 C CA . ASP C 306 ? 0.2263 0.2489 0.2724 -0.0119 -0.0008 0.0344 308 ASP C CA 6665 C C . ASP C 306 ? 0.3121 0.3356 0.3577 -0.0117 -0.0007 0.0344 308 ASP C C 6666 O O . ASP C 306 ? 0.2628 0.2853 0.3073 -0.0112 -0.0004 0.0335 308 ASP C O 6667 C CB . ASP C 306 ? 0.2214 0.2460 0.2676 -0.0124 -0.0014 0.0349 308 ASP C CB 6668 C CG . ASP C 306 ? 0.2836 0.3090 0.3282 -0.0121 -0.0015 0.0341 308 ASP C CG 6669 O OD1 . ASP C 306 ? 0.2846 0.3112 0.3285 -0.0120 -0.0015 0.0340 308 ASP C OD1 6670 O OD2 . ASP C 306 ? 0.2757 0.3006 0.3197 -0.0121 -0.0016 0.0336 308 ASP C OD2 6671 N N . THR C 307 ? 0.2643 0.2897 0.3109 -0.0122 -0.0011 0.0354 309 THR C N 6672 C CA . THR C 307 ? 0.2403 0.2666 0.2862 -0.0121 -0.0012 0.0354 309 THR C CA 6673 C C . THR C 307 ? 0.2916 0.3201 0.3369 -0.0125 -0.0016 0.0358 309 THR C C 6674 O O . THR C 307 ? 0.3393 0.3690 0.3847 -0.0128 -0.0019 0.0364 309 THR C O 6675 C CB . THR C 307 ? 0.2941 0.3203 0.3416 -0.0123 -0.0011 0.0364 309 THR C CB 6676 O OG1 . THR C 307 ? 0.2767 0.3034 0.3261 -0.0128 -0.0013 0.0376 309 THR C OG1 6677 C CG2 . THR C 307 ? 0.1935 0.2175 0.2412 -0.0118 -0.0005 0.0360 309 THR C CG2 6678 N N . ASP C 308 ? 0.2591 0.2882 0.3038 -0.0124 -0.0017 0.0354 310 ASP C N 6679 C CA . ASP C 308 ? 0.3098 0.3409 0.3538 -0.0127 -0.0020 0.0357 310 ASP C CA 6680 C C . ASP C 308 ? 0.3000 0.3312 0.3418 -0.0122 -0.0018 0.0348 310 ASP C C 6681 O O . ASP C 308 ? 0.3505 0.3831 0.3914 -0.0122 -0.0019 0.0349 310 ASP C O 6682 C CB . ASP C 308 ? 0.2937 0.3255 0.3382 -0.0128 -0.0021 0.0360 310 ASP C CB 6683 C CG . ASP C 308 ? 0.3627 0.3942 0.4092 -0.0133 -0.0023 0.0369 310 ASP C CG 6684 O OD1 . ASP C 308 ? 0.3684 0.3998 0.4160 -0.0135 -0.0023 0.0376 310 ASP C OD1 6685 O OD2 . ASP C 308 ? 0.4307 0.4621 0.4777 -0.0134 -0.0025 0.0370 310 ASP C OD2 6686 N N . GLY C 309 ? 0.3230 0.3527 0.3641 -0.0118 -0.0016 0.0340 311 GLY C N 6687 C CA . GLY C 309 ? 0.2565 0.2862 0.2958 -0.0113 -0.0014 0.0331 311 GLY C CA 6688 C C . GLY C 309 ? 0.3254 0.3546 0.3637 -0.0108 -0.0012 0.0321 311 GLY C C 6689 O O . GLY C 309 ? 0.3711 0.4005 0.4099 -0.0110 -0.0012 0.0322 311 GLY C O 6690 N N . GLY C 310 ? 0.2640 0.2924 0.3008 -0.0104 -0.0009 0.0311 312 GLY C N 6691 C CA . GLY C 310 ? 0.2384 0.2664 0.2742 -0.0099 -0.0007 0.0302 312 GLY C CA 6692 C C . GLY C 310 ? 0.2782 0.3059 0.3123 -0.0094 -0.0005 0.0293 312 GLY C C 6693 O O . GLY C 310 ? 0.2943 0.3221 0.3281 -0.0095 -0.0006 0.0295 312 GLY C O 6694 N N . TYR C 311 ? 0.3163 0.3439 0.3495 -0.0090 -0.0003 0.0285 313 TYR C N 6695 C CA . TYR C 311 ? 0.2731 0.3002 0.3047 -0.0085 -0.0001 0.0276 313 TYR C CA 6696 C C . TYR C 311 ? 0.2694 0.2948 0.3010 -0.0081 0.0001 0.0269 313 TYR C C 6697 O O . TYR C 311 ? 0.2288 0.2532 0.2614 -0.0082 0.0001 0.0270 313 TYR C O 6698 C CB . TYR C 311 ? 0.2700 0.2980 0.3007 -0.0081 0.0002 0.0272 313 TYR C CB 6699 C CG . TYR C 311 ? 0.3013 0.3308 0.3312 -0.0081 0.0003 0.0277 313 TYR C CG 6700 C CD1 . TYR C 311 ? 0.3300 0.3596 0.3588 -0.0082 0.0002 0.0277 313 TYR C CD1 6701 C CD2 . TYR C 311 ? 0.3095 0.3403 0.3397 -0.0081 0.0004 0.0281 313 TYR C CD2 6702 C CE1 . TYR C 311 ? 0.2570 0.2878 0.2848 -0.0082 0.0003 0.0280 313 TYR C CE1 6703 C CE2 . TYR C 311 ? 0.3139 0.3461 0.3432 -0.0081 0.0006 0.0286 313 TYR C CE2 6704 C CZ . TYR C 311 ? 0.3012 0.3333 0.3292 -0.0081 0.0006 0.0285 313 TYR C CZ 6705 O OH . TYR C 311 ? 0.3862 0.4195 0.4131 -0.0080 0.0009 0.0289 313 TYR C OH 6706 N N . PRO C 312 ? 0.3027 0.3276 0.3331 -0.0077 0.0002 0.0262 314 PRO C N 6707 C CA . PRO C 312 ? 0.2898 0.3131 0.3200 -0.0073 0.0004 0.0254 314 PRO C CA 6708 C C . PRO C 312 ? 0.2603 0.2832 0.2906 -0.0071 0.0006 0.0250 314 PRO C C 6709 O O . PRO C 312 ? 0.2584 0.2824 0.2883 -0.0071 0.0006 0.0250 314 PRO C O 6710 C CB . PRO C 312 ? 0.2400 0.2633 0.2688 -0.0069 0.0005 0.0247 314 PRO C CB 6711 C CG . PRO C 312 ? 0.3306 0.3548 0.3591 -0.0073 0.0002 0.0253 314 PRO C CG 6712 C CD . PRO C 312 ? 0.3078 0.3332 0.3370 -0.0077 0.0001 0.0262 314 PRO C CD 6713 N N . ILE C 313 ? 0.2353 0.2567 0.2659 -0.0070 0.0008 0.0247 315 ILE C N 6714 C CA . ILE C 313 ? 0.2234 0.2441 0.2540 -0.0070 0.0008 0.0243 315 ILE C CA 6715 C C . ILE C 313 ? 0.2518 0.2718 0.2813 -0.0064 0.0010 0.0233 315 ILE C C 6716 O O . ILE C 313 ? 0.2213 0.2409 0.2503 -0.0061 0.0012 0.0229 315 ILE C O 6717 C CB . ILE C 313 ? 0.2570 0.2761 0.2884 -0.0071 0.0009 0.0245 315 ILE C CB 6718 C CG1 . ILE C 313 ? 0.1999 0.2174 0.2311 -0.0067 0.0012 0.0241 315 ILE C CG1 6719 C CG2 . ILE C 313 ? 0.2234 0.2432 0.2560 -0.0076 0.0007 0.0255 315 ILE C CG2 6720 C CD1 . ILE C 313 ? 0.1510 0.1667 0.1827 -0.0067 0.0015 0.0242 315 ILE C CD1 6721 N N . GLN C 314 ? 0.2314 0.2512 0.2605 -0.0064 0.0010 0.0230 316 GLN C N 6722 C CA . GLN C 314 ? 0.2347 0.2538 0.2630 -0.0060 0.0011 0.0222 316 GLN C CA 6723 C C . GLN C 314 ? 0.2618 0.2790 0.2900 -0.0061 0.0011 0.0219 316 GLN C C 6724 O O . GLN C 314 ? 0.2559 0.2729 0.2845 -0.0065 0.0009 0.0223 316 GLN C O 6725 C CB . GLN C 314 ? 0.2353 0.2557 0.2632 -0.0060 0.0011 0.0221 316 GLN C CB 6726 C CG . GLN C 314 ? 0.2402 0.2623 0.2679 -0.0058 0.0012 0.0223 316 GLN C CG 6727 C CD . GLN C 314 ? 0.2213 0.2448 0.2489 -0.0058 0.0012 0.0225 316 GLN C CD 6728 O OE1 . GLN C 314 ? 0.2589 0.2824 0.2859 -0.0054 0.0014 0.0220 316 GLN C OE1 6729 N NE2 . GLN C 314 ? 0.2559 0.2807 0.2841 -0.0061 0.0011 0.0234 316 GLN C NE2 6730 N N . VAL C 315 ? 0.2116 0.2274 0.2392 -0.0056 0.0014 0.0213 317 VAL C N 6731 C CA . VAL C 315 ? 0.2070 0.2207 0.2342 -0.0056 0.0016 0.0209 317 VAL C CA 6732 C C . VAL C 315 ? 0.1981 0.2115 0.2242 -0.0053 0.0016 0.0201 317 VAL C C 6733 O O . VAL C 315 ? 0.2274 0.2412 0.2533 -0.0048 0.0018 0.0197 317 VAL C O 6734 C CB . VAL C 315 ? 0.2481 0.2603 0.2755 -0.0053 0.0020 0.0209 317 VAL C CB 6735 C CG1 . VAL C 315 ? 0.1776 0.1875 0.2041 -0.0050 0.0023 0.0204 317 VAL C CG1 6736 C CG2 . VAL C 315 ? 0.1950 0.2075 0.2236 -0.0056 0.0020 0.0217 317 VAL C CG2 6737 N N . VAL C 316 ? 0.1893 0.2020 0.2150 -0.0055 0.0013 0.0200 318 VAL C N 6738 C CA . VAL C 316 ? 0.1387 0.1511 0.1635 -0.0053 0.0012 0.0194 318 VAL C CA 6739 C C . VAL C 316 ? 0.2037 0.2137 0.2275 -0.0051 0.0015 0.0188 318 VAL C C 6740 O O . VAL C 316 ? 0.1250 0.1334 0.1486 -0.0054 0.0014 0.0190 318 VAL C O 6741 C CB . VAL C 316 ? 0.1756 0.1888 0.2005 -0.0058 0.0006 0.0197 318 VAL C CB 6742 C CG1 . VAL C 316 ? 0.1452 0.1582 0.1694 -0.0057 0.0005 0.0192 318 VAL C CG1 6743 C CG2 . VAL C 316 ? 0.1163 0.1319 0.1422 -0.0060 0.0005 0.0204 318 VAL C CG2 6744 N N . GLN C 317 ? 0.2520 0.2617 0.2752 -0.0046 0.0018 0.0182 319 GLN C N 6745 C CA . GLN C 317 ? 0.2276 0.2352 0.2498 -0.0043 0.0020 0.0177 319 GLN C CA 6746 C C . GLN C 317 ? 0.2794 0.2854 0.3007 -0.0048 0.0016 0.0176 319 GLN C C 6747 O O . GLN C 317 ? 0.2374 0.2442 0.2586 -0.0052 0.0010 0.0178 319 GLN C O 6748 C CB . GLN C 317 ? 0.2814 0.2893 0.3031 -0.0038 0.0022 0.0171 319 GLN C CB 6749 C CG . GLN C 317 ? 0.2654 0.2712 0.2860 -0.0034 0.0025 0.0165 319 GLN C CG 6750 C CD . GLN C 317 ? 0.3116 0.3180 0.3319 -0.0030 0.0026 0.0160 319 GLN C CD 6751 O OE1 . GLN C 317 ? 0.3200 0.3277 0.3403 -0.0032 0.0022 0.0160 319 GLN C OE1 6752 N NE2 . GLN C 317 ? 0.2580 0.2634 0.2780 -0.0024 0.0031 0.0157 319 GLN C NE2 6753 N N . SER C 318 ? 0.2622 0.2658 0.2827 -0.0047 0.0019 0.0175 320 SER C N 6754 C CA . SER C 318 ? 0.2420 0.2438 0.2613 -0.0053 0.0015 0.0174 320 SER C CA 6755 C C . SER C 318 ? 0.2605 0.2597 0.2782 -0.0049 0.0019 0.0167 320 SER C C 6756 O O . SER C 318 ? 0.2628 0.2600 0.2800 -0.0046 0.0025 0.0167 320 SER C O 6757 C CB . SER C 318 ? 0.2665 0.2677 0.2864 -0.0057 0.0014 0.0179 320 SER C CB 6758 O OG . SER C 318 ? 0.2445 0.2440 0.2633 -0.0063 0.0008 0.0179 320 SER C OG 6759 N N . GLU C 319 ? 0.2632 0.2624 0.2801 -0.0049 0.0016 0.0163 321 GLU C N 6760 C CA . GLU C 319 ? 0.2967 0.2935 0.3118 -0.0045 0.0020 0.0157 321 GLU C CA 6761 C C . GLU C 319 ? 0.3267 0.3225 0.3404 -0.0051 0.0012 0.0154 321 GLU C C 6762 O O . GLU C 319 ? 0.2911 0.2885 0.3054 -0.0057 0.0004 0.0158 321 GLU C O 6763 C CB . GLU C 319 ? 0.2947 0.2924 0.3102 -0.0037 0.0026 0.0153 321 GLU C CB 6764 C CG . GLU C 319 ? 0.3066 0.3048 0.3233 -0.0031 0.0034 0.0156 321 GLU C CG 6765 C CD . GLU C 319 ? 0.4138 0.4130 0.4310 -0.0024 0.0038 0.0153 321 GLU C CD 6766 O OE1 . GLU C 319 ? 0.4177 0.4172 0.4343 -0.0023 0.0036 0.0149 321 GLU C OE1 6767 O OE2 . GLU C 319 ? 0.4208 0.4207 0.4391 -0.0020 0.0043 0.0156 321 GLU C OE2 6768 N N . TRP C 320 ? 0.3025 0.2955 0.3142 -0.0050 0.0014 0.0149 322 TRP C N 6769 C CA . TRP C 320 ? 0.2903 0.2822 0.3005 -0.0056 0.0006 0.0147 322 TRP C CA 6770 C C . TRP C 320 ? 0.2979 0.2912 0.3083 -0.0053 0.0006 0.0144 322 TRP C C 6771 O O . TRP C 320 ? 0.2943 0.2892 0.3058 -0.0046 0.0012 0.0144 322 TRP C O 6772 C CB . TRP C 320 ? 0.2674 0.2556 0.2750 -0.0055 0.0009 0.0142 322 TRP C CB 6773 C CG . TRP C 320 ? 0.2976 0.2838 0.3045 -0.0058 0.0009 0.0144 322 TRP C CG 6774 C CD1 . TRP C 320 ? 0.3006 0.2846 0.3068 -0.0052 0.0019 0.0142 322 TRP C CD1 6775 C CD2 . TRP C 320 ? 0.3099 0.2959 0.3168 -0.0068 -0.0002 0.0148 322 TRP C CD2 6776 N NE1 . TRP C 320 ? 0.2583 0.2408 0.2640 -0.0058 0.0016 0.0144 322 TRP C NE1 6777 C CE2 . TRP C 320 ? 0.3529 0.3366 0.3591 -0.0068 0.0003 0.0148 322 TRP C CE2 6778 C CE3 . TRP C 320 ? 0.3024 0.2900 0.3100 -0.0077 -0.0014 0.0153 322 TRP C CE3 6779 C CZ2 . TRP C 320 ? 0.3334 0.3163 0.3394 -0.0076 -0.0005 0.0152 322 TRP C CZ2 6780 C CZ3 . TRP C 320 ? 0.3358 0.3227 0.3434 -0.0086 -0.0023 0.0157 322 TRP C CZ3 6781 C CH2 . TRP C 320 ? 0.3256 0.3101 0.3323 -0.0085 -0.0018 0.0156 322 TRP C CH2 6782 N N . SER C 321 ? 0.2741 0.2668 0.2833 -0.0058 -0.0003 0.0144 323 SER C N 6783 C CA . SER C 321 ? 0.2651 0.2585 0.2741 -0.0056 -0.0003 0.0141 323 SER C CA 6784 C C . SER C 321 ? 0.3256 0.3170 0.3332 -0.0048 0.0007 0.0134 323 SER C C 6785 O O . SER C 321 ? 0.3223 0.3114 0.3288 -0.0045 0.0012 0.0132 323 SER C O 6786 C CB . SER C 321 ? 0.2772 0.2702 0.2853 -0.0065 -0.0014 0.0142 323 SER C CB 6787 O OG . SER C 321 ? 0.3024 0.2921 0.3082 -0.0070 -0.0018 0.0140 323 SER C OG 6788 N N . ALA C 322 ? 0.2917 0.2840 0.2995 -0.0043 0.0009 0.0132 324 ALA C N 6789 C CA . ALA C 322 ? 0.3260 0.3168 0.3328 -0.0035 0.0018 0.0127 324 ALA C CA 6790 C C . ALA C 322 ? 0.2460 0.2332 0.2500 -0.0036 0.0019 0.0123 324 ALA C C 6791 O O . ALA C 322 ? 0.2871 0.2725 0.2903 -0.0029 0.0029 0.0120 324 ALA C O 6792 C CB . ALA C 322 ? 0.2797 0.2718 0.2868 -0.0033 0.0017 0.0125 324 ALA C CB 6793 N N . SER C 323 ? 0.2822 0.2680 0.2848 -0.0046 0.0009 0.0123 325 SER C N 6794 C CA . SER C 323 ? 0.3534 0.3355 0.3530 -0.0048 0.0009 0.0119 325 SER C CA 6795 C C . SER C 323 ? 0.4789 0.4588 0.4776 -0.0044 0.0017 0.0118 325 SER C C 6796 O O . SER C 323 ? 0.5044 0.4812 0.5008 -0.0040 0.0024 0.0114 325 SER C O 6797 C CB . SER C 323 ? 0.3477 0.3290 0.3460 -0.0060 -0.0006 0.0121 325 SER C CB 6798 O OG . SER C 323 ? 0.4800 0.4631 0.4800 -0.0067 -0.0013 0.0127 325 SER C OG 6799 N N . ARG C 324 ? 0.4387 0.4201 0.4393 -0.0045 0.0018 0.0123 326 ARG C N 6800 C CA . ARG C 324 ? 0.4124 0.3917 0.4124 -0.0043 0.0025 0.0123 326 ARG C CA 6801 C C . ARG C 324 ? 0.3655 0.3459 0.3673 -0.0032 0.0038 0.0125 326 ARG C C 6802 O O . ARG C 324 ? 0.3967 0.3798 0.4005 -0.0028 0.0039 0.0126 326 ARG C O 6803 C CB . ARG C 324 ? 0.3853 0.3652 0.3861 -0.0052 0.0015 0.0128 326 ARG C CB 6804 C CG . ARG C 324 ? 0.4063 0.3844 0.4051 -0.0063 0.0002 0.0127 326 ARG C CG 6805 C CD . ARG C 324 ? 0.4191 0.3983 0.4192 -0.0072 -0.0008 0.0133 326 ARG C CD 6806 N NE . ARG C 324 ? 0.3804 0.3576 0.3785 -0.0083 -0.0021 0.0133 326 ARG C NE 6807 C CZ . ARG C 324 ? 0.4317 0.4094 0.4306 -0.0093 -0.0032 0.0139 326 ARG C CZ 6808 N NH1 . ARG C 324 ? 0.4176 0.3981 0.4192 -0.0092 -0.0030 0.0145 326 ARG C NH1 6809 N NH2 . ARG C 324 ? 0.4217 0.3974 0.4187 -0.0103 -0.0044 0.0140 326 ARG C NH2 6810 N N . ARG C 325 ? 0.3490 0.3273 0.3502 -0.0028 0.0047 0.0125 327 ARG C N 6811 C CA . ARG C 325 ? 0.3475 0.3265 0.3503 -0.0018 0.0059 0.0128 327 ARG C CA 6812 C C . ARG C 325 ? 0.3136 0.2949 0.3190 -0.0020 0.0057 0.0134 327 ARG C C 6813 O O . ARG C 325 ? 0.3358 0.3160 0.3410 -0.0024 0.0056 0.0137 327 ARG C O 6814 C CB . ARG C 325 ? 0.3237 0.2993 0.3247 -0.0011 0.0071 0.0126 327 ARG C CB 6815 C CG . ARG C 325 ? 0.3675 0.3412 0.3665 -0.0006 0.0077 0.0121 327 ARG C CG 6816 C CD . ARG C 325 ? 0.3830 0.3538 0.3807 0.0004 0.0092 0.0121 327 ARG C CD 6817 N NE . ARG C 325 ? 0.4825 0.4502 0.4782 0.0000 0.0092 0.0120 327 ARG C NE 6818 C CZ . ARG C 325 ? 0.5314 0.4973 0.5271 0.0006 0.0104 0.0123 327 ARG C CZ 6819 N NH1 . ARG C 325 ? 0.4963 0.4633 0.4940 0.0016 0.0116 0.0128 327 ARG C NH1 6820 N NH2 . ARG C 325 ? 0.4731 0.4361 0.4668 0.0002 0.0103 0.0121 327 ARG C NH2 6821 N N . SER C 326 ? 0.1924 0.1768 0.2001 -0.0018 0.0057 0.0137 328 SER C N 6822 C CA . SER C 326 ? 0.2646 0.2514 0.2746 -0.0020 0.0055 0.0144 328 SER C CA 6823 C C . SER C 326 ? 0.2565 0.2437 0.2681 -0.0012 0.0066 0.0148 328 SER C C 6824 O O . SER C 326 ? 0.2599 0.2455 0.2710 -0.0004 0.0076 0.0148 328 SER C O 6825 C CB . SER C 326 ? 0.2117 0.2016 0.2231 -0.0024 0.0047 0.0144 328 SER C CB 6826 O OG . SER C 326 ? 0.2489 0.2388 0.2593 -0.0032 0.0037 0.0142 328 SER C OG 6827 N N . ASP C 327 ? 0.2785 0.2680 0.2922 -0.0015 0.0063 0.0154 329 ASP C N 6828 C CA . ASP C 327 ? 0.3118 0.3024 0.3274 -0.0009 0.0070 0.0160 329 ASP C CA 6829 C C . ASP C 327 ? 0.2604 0.2542 0.2780 -0.0013 0.0063 0.0163 329 ASP C C 6830 O O . ASP C 327 ? 0.2888 0.2837 0.3063 -0.0020 0.0054 0.0163 329 ASP C O 6831 C CB . ASP C 327 ? 0.2915 0.2804 0.3074 -0.0007 0.0077 0.0165 329 ASP C CB 6832 C CG . ASP C 327 ? 0.2965 0.2860 0.3130 -0.0015 0.0070 0.0168 329 ASP C CG 6833 O OD1 . ASP C 327 ? 0.2659 0.2581 0.2843 -0.0018 0.0066 0.0173 329 ASP C OD1 6834 O OD2 . ASP C 327 ? 0.3132 0.3005 0.3283 -0.0018 0.0070 0.0167 329 ASP C OD2 6835 N N . ASN C 328 ? 0.2392 0.2343 0.2583 -0.0009 0.0066 0.0168 330 ASN C N 6836 C CA . ASN C 328 ? 0.2301 0.2280 0.2508 -0.0012 0.0060 0.0172 330 ASN C CA 6837 C C . ASN C 328 ? 0.2291 0.2274 0.2514 -0.0013 0.0063 0.0180 330 ASN C C 6838 O O . ASN C 328 ? 0.1567 0.1569 0.1805 -0.0013 0.0061 0.0185 330 ASN C O 6839 C CB . ASN C 328 ? 0.2226 0.2220 0.2439 -0.0008 0.0060 0.0170 330 ASN C CB 6840 C CG . ASN C 328 ? 0.2750 0.2735 0.2968 -0.0001 0.0068 0.0173 330 ASN C CG 6841 O OD1 . ASN C 328 ? 0.2009 0.1978 0.2228 0.0002 0.0075 0.0176 330 ASN C OD1 6842 N ND2 . ASN C 328 ? 0.2953 0.2950 0.3177 0.0003 0.0068 0.0171 330 ASN C ND2 6843 N N . ALA C 329 ? 0.1809 0.1775 0.2029 -0.0014 0.0066 0.0183 331 ALA C N 6844 C CA . ALA C 329 ? 0.2289 0.2257 0.2524 -0.0014 0.0069 0.0191 331 ALA C CA 6845 C C . ALA C 329 ? 0.2245 0.2237 0.2493 -0.0021 0.0061 0.0196 331 ALA C C 6846 O O . ALA C 329 ? 0.2234 0.2238 0.2498 -0.0021 0.0062 0.0203 331 ALA C O 6847 C CB . ALA C 329 ? 0.2215 0.2157 0.2443 -0.0013 0.0075 0.0192 331 ALA C CB 6848 N N . THR C 330 ? 0.1991 0.1989 0.2232 -0.0027 0.0054 0.0192 332 THR C N 6849 C CA . THR C 330 ? 0.2298 0.2320 0.2550 -0.0033 0.0047 0.0197 332 THR C CA 6850 C C . THR C 330 ? 0.2245 0.2288 0.2503 -0.0032 0.0044 0.0197 332 THR C C 6851 O O . THR C 330 ? 0.2293 0.2353 0.2562 -0.0035 0.0041 0.0203 332 THR C O 6852 C CB . THR C 330 ? 0.1951 0.1977 0.2196 -0.0040 0.0039 0.0195 332 THR C CB 6853 O OG1 . THR C 330 ? 0.2016 0.2049 0.2252 -0.0040 0.0035 0.0189 332 THR C OG1 6854 C CG2 . THR C 330 ? 0.1667 0.1668 0.1901 -0.0042 0.0040 0.0194 332 THR C CG2 6855 N N . GLU C 331 ? 0.2400 0.2440 0.2650 -0.0027 0.0046 0.0191 333 GLU C N 6856 C CA . GLU C 331 ? 0.2261 0.2318 0.2515 -0.0026 0.0044 0.0190 333 GLU C CA 6857 C C . GLU C 331 ? 0.2703 0.2763 0.2970 -0.0023 0.0046 0.0197 333 GLU C C 6858 O O . GLU C 331 ? 0.3066 0.3143 0.3341 -0.0026 0.0042 0.0200 333 GLU C O 6859 C CB . GLU C 331 ? 0.2690 0.2742 0.2934 -0.0021 0.0045 0.0182 333 GLU C CB 6860 C CG . GLU C 331 ? 0.2690 0.2756 0.2939 -0.0018 0.0044 0.0181 333 GLU C CG 6861 C CD . GLU C 331 ? 0.3183 0.3246 0.3421 -0.0015 0.0044 0.0173 333 GLU C CD 6862 O OE1 . GLU C 331 ? 0.3278 0.3352 0.3518 -0.0013 0.0042 0.0171 333 GLU C OE1 6863 O OE2 . GLU C 331 ? 0.3360 0.3408 0.3589 -0.0014 0.0046 0.0170 333 GLU C OE2 6864 N N . GLU C 332 ? 0.2582 0.2627 0.2852 -0.0018 0.0053 0.0198 334 GLU C N 6865 C CA . GLU C 332 ? 0.2469 0.2515 0.2753 -0.0016 0.0056 0.0206 334 GLU C CA 6866 C C . GLU C 332 ? 0.2974 0.3027 0.3271 -0.0020 0.0054 0.0215 334 GLU C C 6867 O O . GLU C 332 ? 0.2672 0.2737 0.2982 -0.0022 0.0052 0.0222 334 GLU C O 6868 C CB . GLU C 332 ? 0.2576 0.2602 0.2860 -0.0009 0.0065 0.0207 334 GLU C CB 6869 C CG . GLU C 332 ? 0.2929 0.2951 0.3202 -0.0004 0.0067 0.0199 334 GLU C CG 6870 C CD . GLU C 332 ? 0.3313 0.3320 0.3590 0.0004 0.0076 0.0202 334 GLU C CD 6871 O OE1 . GLU C 332 ? 0.3783 0.3789 0.4055 0.0008 0.0077 0.0198 334 GLU C OE1 6872 O OE2 . GLU C 332 ? 0.3255 0.3251 0.3539 0.0006 0.0082 0.0209 334 GLU C OE2 6873 N N . ALA C 333 ? 0.2759 0.2805 0.3053 -0.0024 0.0055 0.0216 335 ALA C N 6874 C CA . ALA C 333 ? 0.2650 0.2703 0.2956 -0.0029 0.0053 0.0224 335 ALA C CA 6875 C C . ALA C 333 ? 0.2243 0.2319 0.2553 -0.0034 0.0045 0.0226 335 ALA C C 6876 O O . ALA C 333 ? 0.2571 0.2658 0.2893 -0.0037 0.0042 0.0234 335 ALA C O 6877 C CB . ALA C 333 ? 0.2732 0.2771 0.3032 -0.0031 0.0054 0.0223 335 ALA C CB 6878 N N . CYS C 334 ? 0.2226 0.2309 0.2524 -0.0036 0.0041 0.0218 336 CYS C N 6879 C CA . CYS C 334 ? 0.2595 0.2698 0.2893 -0.0040 0.0034 0.0219 336 CYS C CA 6880 C C . CYS C 334 ? 0.2932 0.3045 0.3234 -0.0038 0.0032 0.0221 336 CYS C C 6881 O O . CYS C 334 ? 0.2763 0.2889 0.3070 -0.0042 0.0028 0.0226 336 CYS C O 6882 C CB . CYS C 334 ? 0.2517 0.2625 0.2802 -0.0040 0.0031 0.0211 336 CYS C CB 6883 S SG . CYS C 334 ? 0.2909 0.3041 0.3192 -0.0044 0.0025 0.0211 336 CYS C SG 6884 N N . LEU C 335 ? 0.2615 0.2719 0.2914 -0.0033 0.0036 0.0217 337 LEU C N 6885 C CA . LEU C 335 ? 0.3058 0.3168 0.3360 -0.0031 0.0033 0.0218 337 LEU C CA 6886 C C . LEU C 335 ? 0.2955 0.3066 0.3273 -0.0033 0.0033 0.0229 337 LEU C C 6887 O O . LEU C 335 ? 0.2507 0.2627 0.2828 -0.0035 0.0028 0.0233 337 LEU C O 6888 C CB . LEU C 335 ? 0.3521 0.3621 0.3818 -0.0025 0.0037 0.0212 337 LEU C CB 6889 C CG . LEU C 335 ? 0.3531 0.3635 0.3815 -0.0023 0.0035 0.0203 337 LEU C CG 6890 C CD1 . LEU C 335 ? 0.3265 0.3377 0.3540 -0.0026 0.0033 0.0198 337 LEU C CD1 6891 C CD2 . LEU C 335 ? 0.3075 0.3166 0.3355 -0.0016 0.0040 0.0197 337 LEU C CD2 6892 N N . GLN C 336 ? 0.2248 0.2348 0.2575 -0.0032 0.0038 0.0235 338 GLN C N 6893 C CA . GLN C 336 ? 0.2284 0.2385 0.2628 -0.0033 0.0039 0.0247 338 GLN C CA 6894 C C . GLN C 336 ? 0.3019 0.3130 0.3371 -0.0040 0.0035 0.0254 338 GLN C C 6895 O O . GLN C 336 ? 0.3351 0.3462 0.3719 -0.0041 0.0036 0.0265 338 GLN C O 6896 C CB . GLN C 336 ? 0.2099 0.2182 0.2451 -0.0027 0.0048 0.0251 338 GLN C CB 6897 C CG . GLN C 336 ? 0.2521 0.2592 0.2873 -0.0027 0.0054 0.0251 338 GLN C CG 6898 C CD . GLN C 336 ? 0.3073 0.3125 0.3431 -0.0020 0.0064 0.0255 338 GLN C CD 6899 O OE1 . GLN C 336 ? 0.3412 0.3462 0.3778 -0.0015 0.0068 0.0259 338 GLN C OE1 6900 N NE2 . GLN C 336 ? 0.3029 0.3067 0.3385 -0.0019 0.0070 0.0255 338 GLN C NE2 6901 N N . THR C 337 ? 0.3036 0.3156 0.3378 -0.0044 0.0031 0.0249 339 THR C N 6902 C CA . THR C 337 ? 0.2908 0.3037 0.3256 -0.0050 0.0028 0.0256 339 THR C CA 6903 C C . THR C 337 ? 0.3427 0.3574 0.3768 -0.0055 0.0020 0.0255 339 THR C C 6904 O O . THR C 337 ? 0.3019 0.3169 0.3346 -0.0054 0.0019 0.0246 339 THR C O 6905 C CB . THR C 337 ? 0.3171 0.3294 0.3516 -0.0051 0.0030 0.0253 339 THR C CB 6906 O OG1 . THR C 337 ? 0.2773 0.2877 0.3122 -0.0046 0.0038 0.0254 339 THR C OG1 6907 C CG2 . THR C 337 ? 0.2908 0.3041 0.3261 -0.0057 0.0027 0.0261 339 THR C CG2 6908 N N . GLU C 338 ? 0.3341 0.3497 0.3691 -0.0060 0.0015 0.0265 340 GLU C N 6909 C CA . GLU C 338 ? 0.4108 0.4279 0.4451 -0.0065 0.0009 0.0266 340 GLU C CA 6910 C C . GLU C 338 ? 0.3810 0.3989 0.4144 -0.0067 0.0008 0.0261 340 GLU C C 6911 O O . GLU C 338 ? 0.3493 0.3669 0.3833 -0.0068 0.0011 0.0263 340 GLU C O 6912 C CB . GLU C 338 ? 0.4573 0.4752 0.4929 -0.0071 0.0004 0.0278 340 GLU C CB 6913 C CG . GLU C 338 ? 0.5861 0.6034 0.6230 -0.0070 0.0004 0.0286 340 GLU C CG 6914 C CD . GLU C 338 ? 0.6514 0.6691 0.6874 -0.0072 -0.0003 0.0286 340 GLU C CD 6915 O OE1 . GLU C 338 ? 0.6145 0.6328 0.6513 -0.0078 -0.0009 0.0296 340 GLU C OE1 6916 O OE2 . GLU C 338 ? 0.5461 0.5634 0.5807 -0.0068 -0.0002 0.0275 340 GLU C OE2 6917 N N . GLY C 339 ? 0.3100 0.3289 0.3421 -0.0067 0.0006 0.0256 341 GLY C N 6918 C CA . GLY C 339 ? 0.3541 0.3740 0.3855 -0.0069 0.0005 0.0254 341 GLY C CA 6919 C C . GLY C 339 ? 0.3800 0.3992 0.4110 -0.0065 0.0009 0.0246 341 GLY C C 6920 O O . GLY C 339 ? 0.3566 0.3765 0.3874 -0.0067 0.0009 0.0246 341 GLY C O 6921 N N . CYS C 340 ? 0.3543 0.3722 0.3851 -0.0060 0.0012 0.0240 342 CYS C N 6922 C CA . CYS C 340 ? 0.3412 0.3583 0.3713 -0.0057 0.0015 0.0232 342 CYS C CA 6923 C C . CYS C 340 ? 0.3837 0.4009 0.4126 -0.0052 0.0016 0.0223 342 CYS C C 6924 O O . CYS C 340 ? 0.3714 0.3881 0.4000 -0.0049 0.0016 0.0221 342 CYS C O 6925 C CB . CYS C 340 ? 0.3495 0.3648 0.3802 -0.0054 0.0020 0.0232 342 CYS C CB 6926 S SG . CYS C 340 ? 0.5400 0.5540 0.5697 -0.0051 0.0023 0.0223 342 CYS C SG 6927 N N . ILE C 341 ? 0.2779 0.2957 0.3060 -0.0052 0.0016 0.0220 343 ILE C N 6928 C CA . ILE C 341 ? 0.2437 0.2617 0.2708 -0.0048 0.0017 0.0212 343 ILE C CA 6929 C C . ILE C 341 ? 0.2702 0.2871 0.2970 -0.0046 0.0019 0.0206 343 ILE C C 6930 O O . ILE C 341 ? 0.2504 0.2672 0.2775 -0.0049 0.0018 0.0208 343 ILE C O 6931 C CB . ILE C 341 ? 0.1885 0.2081 0.2150 -0.0049 0.0016 0.0212 343 ILE C CB 6932 C CG1 . ILE C 341 ? 0.1844 0.2050 0.2109 -0.0052 0.0013 0.0217 343 ILE C CG1 6933 C CG2 . ILE C 341 ? 0.1983 0.2180 0.2239 -0.0045 0.0017 0.0204 343 ILE C CG2 6934 C CD1 . ILE C 341 ? 0.2067 0.2287 0.2325 -0.0052 0.0014 0.0219 343 ILE C CD1 6935 N N . PHE C 342 ? 0.2513 0.2673 0.2775 -0.0041 0.0021 0.0199 344 PHE C N 6936 C CA . PHE C 342 ? 0.2704 0.2853 0.2963 -0.0039 0.0022 0.0194 344 PHE C CA 6937 C C . PHE C 342 ? 0.2457 0.2613 0.2708 -0.0037 0.0022 0.0189 344 PHE C C 6938 O O . PHE C 342 ? 0.2136 0.2298 0.2383 -0.0034 0.0023 0.0186 344 PHE C O 6939 C CB . PHE C 342 ? 0.2644 0.2777 0.2903 -0.0035 0.0026 0.0192 344 PHE C CB 6940 C CG . PHE C 342 ? 0.2527 0.2645 0.2780 -0.0034 0.0028 0.0187 344 PHE C CG 6941 C CD1 . PHE C 342 ? 0.2399 0.2512 0.2645 -0.0029 0.0030 0.0180 344 PHE C CD1 6942 C CD2 . PHE C 342 ? 0.2092 0.2200 0.2346 -0.0037 0.0028 0.0190 344 PHE C CD2 6943 C CE1 . PHE C 342 ? 0.2397 0.2494 0.2636 -0.0028 0.0031 0.0176 344 PHE C CE1 6944 C CE2 . PHE C 342 ? 0.2136 0.2228 0.2382 -0.0036 0.0029 0.0185 344 PHE C CE2 6945 C CZ . PHE C 342 ? 0.2201 0.2287 0.2439 -0.0032 0.0031 0.0179 344 PHE C CZ 6946 N N . ILE C 343 ? 0.2449 0.2602 0.2698 -0.0039 0.0021 0.0188 345 ILE C N 6947 C CA . ILE C 343 ? 0.2494 0.2654 0.2739 -0.0038 0.0020 0.0184 345 ILE C CA 6948 C C . ILE C 343 ? 0.2418 0.2561 0.2656 -0.0036 0.0021 0.0179 345 ILE C C 6949 O O . ILE C 343 ? 0.2154 0.2285 0.2391 -0.0039 0.0020 0.0179 345 ILE C O 6950 C CB . ILE C 343 ? 0.2058 0.2229 0.2306 -0.0043 0.0017 0.0190 345 ILE C CB 6951 C CG1 . ILE C 343 ? 0.2338 0.2526 0.2590 -0.0043 0.0017 0.0195 345 ILE C CG1 6952 C CG2 . ILE C 343 ? 0.2077 0.2252 0.2322 -0.0042 0.0016 0.0187 345 ILE C CG2 6953 C CD1 . ILE C 343 ? 0.2878 0.3067 0.3136 -0.0047 0.0016 0.0201 345 ILE C CD1 6954 N N . LYS C 344 ? 0.2385 0.2529 0.2619 -0.0031 0.0023 0.0173 346 LYS C N 6955 C CA . LYS C 344 ? 0.2882 0.3010 0.3110 -0.0029 0.0024 0.0168 346 LYS C CA 6956 C C . LYS C 344 ? 0.2532 0.2666 0.2756 -0.0027 0.0023 0.0164 346 LYS C C 6957 O O . LYS C 344 ? 0.2920 0.3067 0.3145 -0.0025 0.0024 0.0163 346 LYS C O 6958 C CB . LYS C 344 ? 0.2303 0.2424 0.2531 -0.0024 0.0028 0.0165 346 LYS C CB 6959 C CG . LYS C 344 ? 0.2333 0.2436 0.2556 -0.0021 0.0031 0.0161 346 LYS C CG 6960 C CD . LYS C 344 ? 0.3085 0.3183 0.3311 -0.0016 0.0034 0.0161 346 LYS C CD 6961 C CE . LYS C 344 ? 0.2727 0.2807 0.2948 -0.0012 0.0038 0.0158 346 LYS C CE 6962 N NZ . LYS C 344 ? 0.3016 0.3093 0.3243 -0.0007 0.0042 0.0159 346 LYS C NZ 6963 N N . LYS C 345 ? 0.2757 0.2879 0.2975 -0.0029 0.0022 0.0162 347 LYS C N 6964 C CA . LYS C 345 ? 0.2952 0.3076 0.3166 -0.0027 0.0021 0.0158 347 LYS C CA 6965 C C . LYS C 345 ? 0.3303 0.3423 0.3514 -0.0021 0.0025 0.0152 347 LYS C C 6966 O O . LYS C 345 ? 0.2776 0.2885 0.2986 -0.0018 0.0028 0.0151 347 LYS C O 6967 C CB . LYS C 345 ? 0.2994 0.3106 0.3203 -0.0032 0.0017 0.0159 347 LYS C CB 6968 C CG . LYS C 345 ? 0.2712 0.2834 0.2925 -0.0038 0.0011 0.0165 347 LYS C CG 6969 C CD . LYS C 345 ? 0.2782 0.2887 0.2988 -0.0044 0.0006 0.0166 347 LYS C CD 6970 C CE . LYS C 345 ? 0.3196 0.3288 0.3391 -0.0044 0.0005 0.0161 347 LYS C CE 6971 N NZ . LYS C 345 ? 0.3101 0.3208 0.3301 -0.0043 0.0003 0.0161 347 LYS C NZ 6972 N N . THR C 346 ? 0.3305 0.3434 0.3516 -0.0019 0.0024 0.0150 348 THR C N 6973 C CA . THR C 346 ? 0.3529 0.3654 0.3739 -0.0013 0.0027 0.0145 348 THR C CA 6974 C C . THR C 346 ? 0.3082 0.3196 0.3285 -0.0013 0.0026 0.0142 348 THR C C 6975 O O . THR C 346 ? 0.3814 0.3922 0.4014 -0.0009 0.0029 0.0138 348 THR C O 6976 C CB . THR C 346 ? 0.3415 0.3556 0.3628 -0.0010 0.0029 0.0144 348 THR C CB 6977 O OG1 . THR C 346 ? 0.2929 0.3079 0.3144 -0.0012 0.0027 0.0145 348 THR C OG1 6978 C CG2 . THR C 346 ? 0.3114 0.3266 0.3331 -0.0010 0.0030 0.0146 348 THR C CG2 6979 N N . THR C 347 ? 0.3629 0.3739 0.3829 -0.0019 0.0022 0.0145 349 THR C N 6980 C CA . THR C 347 ? 0.3840 0.3938 0.4032 -0.0021 0.0019 0.0142 349 THR C CA 6981 C C . THR C 347 ? 0.3337 0.3416 0.3519 -0.0026 0.0017 0.0143 349 THR C C 6982 O O . THR C 347 ? 0.3266 0.3345 0.3451 -0.0028 0.0017 0.0147 349 THR C O 6983 C CB . THR C 347 ? 0.3497 0.3608 0.3693 -0.0024 0.0015 0.0145 349 THR C CB 6984 O OG1 . THR C 347 ? 0.3675 0.3794 0.3876 -0.0030 0.0011 0.0151 349 THR C OG1 6985 C CG2 . THR C 347 ? 0.3213 0.3342 0.3417 -0.0018 0.0019 0.0144 349 THR C CG2 6986 N N . PRO C 348 ? 0.3895 0.3957 0.4066 -0.0027 0.0015 0.0141 350 PRO C N 6987 C CA . PRO C 348 ? 0.3596 0.3638 0.3756 -0.0032 0.0013 0.0141 350 PRO C CA 6988 C C . PRO C 348 ? 0.3440 0.3489 0.3603 -0.0040 0.0005 0.0147 350 PRO C C 6989 O O . PRO C 348 ? 0.3294 0.3360 0.3465 -0.0042 0.0001 0.0150 350 PRO C O 6990 C CB . PRO C 348 ? 0.3058 0.3080 0.3202 -0.0031 0.0013 0.0137 350 PRO C CB 6991 C CG . PRO C 348 ? 0.3984 0.4019 0.4133 -0.0027 0.0013 0.0135 350 PRO C CG 6992 C CD . PRO C 348 ? 0.3531 0.3587 0.3696 -0.0023 0.0017 0.0136 350 PRO C CD 6993 N N . TYR C 349 ? 0.3191 0.3224 0.3347 -0.0045 0.0003 0.0149 351 TYR C N 6994 C CA . TYR C 349 ? 0.2589 0.2624 0.2746 -0.0053 -0.0006 0.0155 351 TYR C CA 6995 C C . TYR C 349 ? 0.2362 0.2387 0.2508 -0.0059 -0.0014 0.0155 351 TYR C C 6996 O O . TYR C 349 ? 0.2830 0.2830 0.2958 -0.0060 -0.0014 0.0150 351 TYR C O 6997 C CB . TYR C 349 ? 0.2467 0.2487 0.2619 -0.0056 -0.0006 0.0156 351 TYR C CB 6998 C CG . TYR C 349 ? 0.3165 0.3194 0.3325 -0.0064 -0.0014 0.0163 351 TYR C CG 6999 C CD1 . TYR C 349 ? 0.2873 0.2920 0.3048 -0.0064 -0.0012 0.0168 351 TYR C CD1 7000 C CD2 . TYR C 349 ? 0.2257 0.2276 0.2409 -0.0073 -0.0023 0.0166 351 TYR C CD2 7001 C CE1 . TYR C 349 ? 0.2670 0.2726 0.2854 -0.0071 -0.0018 0.0176 351 TYR C CE1 7002 C CE2 . TYR C 349 ? 0.2663 0.2690 0.2824 -0.0080 -0.0031 0.0174 351 TYR C CE2 7003 C CZ . TYR C 349 ? 0.2770 0.2816 0.2947 -0.0079 -0.0028 0.0179 351 TYR C CZ 7004 O OH . TYR C 349 ? 0.2097 0.2153 0.2284 -0.0086 -0.0035 0.0188 351 TYR C OH 7005 N N . VAL C 350 ? 0.2778 0.2821 0.2934 -0.0064 -0.0020 0.0160 352 VAL C N 7006 C CA . VAL C 350 ? 0.2453 0.2488 0.2602 -0.0071 -0.0029 0.0163 352 VAL C CA 7007 C C . VAL C 350 ? 0.2780 0.2826 0.2939 -0.0080 -0.0038 0.0173 352 VAL C C 7008 O O . VAL C 350 ? 0.2676 0.2749 0.2854 -0.0079 -0.0038 0.0179 352 VAL C O 7009 C CB . VAL C 350 ? 0.3217 0.3263 0.3369 -0.0068 -0.0029 0.0162 352 VAL C CB 7010 C CG1 . VAL C 350 ? 0.2253 0.2291 0.2397 -0.0076 -0.0039 0.0165 352 VAL C CG1 7011 C CG2 . VAL C 350 ? 0.3290 0.3326 0.3433 -0.0059 -0.0020 0.0153 352 VAL C CG2 7012 N N . GLY C 351 ? 0.2927 0.2954 0.3075 -0.0088 -0.0046 0.0174 353 GLY C N 7013 C CA . GLY C 351 ? 0.2891 0.2927 0.3050 -0.0096 -0.0055 0.0184 353 GLY C CA 7014 C C . GLY C 351 ? 0.3228 0.3271 0.3391 -0.0104 -0.0066 0.0192 353 GLY C C 7015 O O . GLY C 351 ? 0.3750 0.3786 0.3904 -0.0105 -0.0068 0.0189 353 GLY C O 7016 N N . GLU C 352 ? 0.3495 0.3552 0.3673 -0.0111 -0.0074 0.0203 354 GLU C N 7017 C CA . GLU C 352 ? 0.3319 0.3385 0.3506 -0.0119 -0.0085 0.0213 354 GLU C CA 7018 C C . GLU C 352 ? 0.4048 0.4089 0.4219 -0.0132 -0.0100 0.0217 354 GLU C C 7019 O O . GLU C 352 ? 0.4558 0.4584 0.4717 -0.0138 -0.0108 0.0217 354 GLU C O 7020 C CB . GLU C 352 ? 0.3381 0.3479 0.3594 -0.0119 -0.0085 0.0225 354 GLU C CB 7021 C CG . GLU C 352 ? 0.3808 0.3918 0.4035 -0.0128 -0.0097 0.0239 354 GLU C CG 7022 C CD . GLU C 352 ? 0.3771 0.3912 0.4026 -0.0128 -0.0095 0.0252 354 GLU C CD 7023 O OE1 . GLU C 352 ? 0.4447 0.4600 0.4716 -0.0135 -0.0104 0.0265 354 GLU C OE1 7024 O OE2 . GLU C 352 ? 0.3554 0.3707 0.3815 -0.0120 -0.0085 0.0250 354 GLU C OE2 7025 N N . ALA C 353 ? 0.3831 0.3865 0.4002 -0.0136 -0.0103 0.0219 355 ALA C N 7026 C CA . ALA C 353 ? 0.3875 0.3882 0.4030 -0.0148 -0.0116 0.0222 355 ALA C CA 7027 C C . ALA C 353 ? 0.3848 0.3819 0.3971 -0.0148 -0.0116 0.0210 355 ALA C C 7028 O O . ALA C 353 ? 0.4008 0.3956 0.4114 -0.0157 -0.0128 0.0211 355 ALA C O 7029 C CB . ALA C 353 ? 0.2975 0.2981 0.3136 -0.0150 -0.0117 0.0225 355 ALA C CB 7030 N N . ASP C 354 ? 0.3698 0.3662 0.3812 -0.0137 -0.0102 0.0199 356 ASP C N 7031 C CA . ASP C 354 ? 0.3286 0.3219 0.3373 -0.0134 -0.0098 0.0187 356 ASP C CA 7032 C C . ASP C 354 ? 0.3127 0.3072 0.3219 -0.0120 -0.0082 0.0179 356 ASP C C 7033 O O . ASP C 354 ? 0.3498 0.3471 0.3613 -0.0115 -0.0075 0.0183 356 ASP C O 7034 C CB . ASP C 354 ? 0.2856 0.2753 0.2919 -0.0138 -0.0101 0.0182 356 ASP C CB 7035 C CG . ASP C 354 ? 0.3502 0.3405 0.3576 -0.0135 -0.0095 0.0183 356 ASP C CG 7036 O OD1 . ASP C 354 ? 0.4888 0.4775 0.4956 -0.0143 -0.0103 0.0187 356 ASP C OD1 7037 O OD2 . ASP C 354 ? 0.3287 0.3209 0.3375 -0.0125 -0.0082 0.0181 356 ASP C OD2 7038 N N . ASP C 355 ? 0.3426 0.3349 0.3498 -0.0115 -0.0075 0.0170 357 ASP C N 7039 C CA . ASP C 355 ? 0.3581 0.3513 0.3658 -0.0102 -0.0061 0.0163 357 ASP C CA 7040 C C . ASP C 355 ? 0.3556 0.3501 0.3647 -0.0096 -0.0052 0.0163 357 ASP C C 7041 O O . ASP C 355 ? 0.2964 0.2930 0.3070 -0.0088 -0.0043 0.0162 357 ASP C O 7042 C CB . ASP C 355 ? 0.4318 0.4219 0.4368 -0.0098 -0.0055 0.0153 357 ASP C CB 7043 C CG . ASP C 355 ? 0.6438 0.6327 0.6472 -0.0103 -0.0063 0.0152 357 ASP C CG 7044 O OD1 . ASP C 355 ? 0.6559 0.6472 0.6608 -0.0104 -0.0066 0.0156 357 ASP C OD1 7045 O OD2 . ASP C 355 ? 0.7489 0.7344 0.7495 -0.0106 -0.0065 0.0147 357 ASP C OD2 7046 N N . ASN C 356 ? 0.2871 0.2803 0.2959 -0.0101 -0.0055 0.0165 358 ASN C N 7047 C CA . ASN C 356 ? 0.3005 0.2944 0.3104 -0.0095 -0.0046 0.0165 358 ASN C CA 7048 C C . ASN C 356 ? 0.2785 0.2750 0.2907 -0.0099 -0.0050 0.0174 358 ASN C C 7049 O O . ASN C 356 ? 0.3139 0.3109 0.3270 -0.0095 -0.0044 0.0175 358 ASN C O 7050 C CB . ASN C 356 ? 0.3054 0.2959 0.3133 -0.0095 -0.0043 0.0160 358 ASN C CB 7051 C CG . ASN C 356 ? 0.2980 0.2863 0.3039 -0.0088 -0.0034 0.0151 358 ASN C CG 7052 O OD1 . ASN C 356 ? 0.3026 0.2918 0.3092 -0.0078 -0.0023 0.0148 358 ASN C OD1 7053 N ND2 . ASN C 356 ? 0.2885 0.2736 0.2917 -0.0092 -0.0039 0.0147 358 ASN C ND2 7054 N N . HIS C 357 ? 0.3047 0.3029 0.3180 -0.0106 -0.0060 0.0182 359 HIS C N 7055 C CA . HIS C 357 ? 0.2567 0.2574 0.2722 -0.0109 -0.0063 0.0192 359 HIS C CA 7056 C C . HIS C 357 ? 0.2874 0.2911 0.3048 -0.0109 -0.0065 0.0199 359 HIS C C 7057 O O . HIS C 357 ? 0.3198 0.3236 0.3371 -0.0114 -0.0073 0.0203 359 HIS C O 7058 C CB . HIS C 357 ? 0.2476 0.2468 0.2626 -0.0120 -0.0075 0.0198 359 HIS C CB 7059 C CG . HIS C 357 ? 0.2957 0.2918 0.3089 -0.0120 -0.0073 0.0192 359 HIS C CG 7060 N ND1 . HIS C 357 ? 0.3152 0.3080 0.3257 -0.0120 -0.0072 0.0183 359 HIS C ND1 7061 C CD2 . HIS C 357 ? 0.3110 0.3068 0.3247 -0.0120 -0.0070 0.0193 359 HIS C CD2 7062 C CE1 . HIS C 357 ? 0.3771 0.3675 0.3864 -0.0120 -0.0069 0.0180 359 HIS C CE1 7063 N NE2 . HIS C 357 ? 0.3788 0.3711 0.3901 -0.0120 -0.0068 0.0186 359 HIS C NE2 7064 N N . GLY C 358 ? 0.3246 0.3310 0.3438 -0.0103 -0.0057 0.0202 360 GLY C N 7065 C CA . GLY C 358 ? 0.3009 0.3102 0.3220 -0.0102 -0.0058 0.0209 360 GLY C CA 7066 C C . GLY C 358 ? 0.3059 0.3161 0.3270 -0.0093 -0.0050 0.0203 360 GLY C C 7067 O O . GLY C 358 ? 0.2870 0.2975 0.3081 -0.0095 -0.0053 0.0205 360 GLY C O 7068 N N . ASP C 359 ? 0.2457 0.2564 0.2669 -0.0084 -0.0039 0.0197 361 ASP C N 7069 C CA . ASP C 359 ? 0.2289 0.2402 0.2500 -0.0076 -0.0031 0.0191 361 ASP C CA 7070 C C . ASP C 359 ? 0.2627 0.2769 0.2855 -0.0071 -0.0026 0.0195 361 ASP C C 7071 O O . ASP C 359 ? 0.2136 0.2291 0.2374 -0.0070 -0.0024 0.0200 361 ASP C O 7072 C CB . ASP C 359 ? 0.2447 0.2546 0.2648 -0.0069 -0.0023 0.0181 361 ASP C CB 7073 C CG . ASP C 359 ? 0.2721 0.2826 0.2922 -0.0061 -0.0015 0.0175 361 ASP C CG 7074 O OD1 . ASP C 359 ? 0.2915 0.3005 0.3104 -0.0060 -0.0016 0.0170 361 ASP C OD1 7075 O OD2 . ASP C 359 ? 0.2372 0.2494 0.2583 -0.0056 -0.0009 0.0175 361 ASP C OD2 7076 N N . ILE C 360 ? 0.3104 0.3254 0.3335 -0.0068 -0.0025 0.0195 362 ILE C N 7077 C CA . ILE C 360 ? 0.2289 0.2466 0.2536 -0.0064 -0.0020 0.0200 362 ILE C CA 7078 C C . ILE C 360 ? 0.2697 0.2881 0.2944 -0.0055 -0.0010 0.0195 362 ILE C C 7079 O O . ILE C 360 ? 0.2765 0.2966 0.3022 -0.0054 -0.0007 0.0201 362 ILE C O 7080 C CB . ILE C 360 ? 0.2984 0.3166 0.3233 -0.0061 -0.0020 0.0199 362 ILE C CB 7081 C CG1 . ILE C 360 ? 0.3666 0.3849 0.3920 -0.0070 -0.0030 0.0209 362 ILE C CG1 7082 C CG2 . ILE C 360 ? 0.2341 0.2544 0.2601 -0.0053 -0.0011 0.0201 362 ILE C CG2 7083 C CD1 . ILE C 360 ? 0.4275 0.4462 0.4531 -0.0069 -0.0031 0.0209 362 ILE C CD1 7084 N N . GLU C 361 ? 0.2950 0.3121 0.3187 -0.0051 -0.0006 0.0185 363 GLU C N 7085 C CA . GLU C 361 ? 0.3187 0.3364 0.3424 -0.0044 0.0002 0.0181 363 GLU C CA 7086 C C . GLU C 361 ? 0.3078 0.3256 0.3318 -0.0046 0.0002 0.0185 363 GLU C C 7087 O O . GLU C 361 ? 0.3214 0.3407 0.3460 -0.0043 0.0006 0.0188 363 GLU C O 7088 C CB . GLU C 361 ? 0.2821 0.2983 0.3048 -0.0039 0.0006 0.0171 363 GLU C CB 7089 C CG . GLU C 361 ? 0.2423 0.2591 0.2651 -0.0032 0.0013 0.0168 363 GLU C CG 7090 C CD . GLU C 361 ? 0.3202 0.3355 0.3422 -0.0028 0.0016 0.0160 363 GLU C CD 7091 O OE1 . GLU C 361 ? 0.3937 0.4073 0.4150 -0.0030 0.0014 0.0158 363 GLU C OE1 7092 O OE2 . GLU C 361 ? 0.3292 0.3448 0.3512 -0.0023 0.0020 0.0158 363 GLU C OE2 7093 N N . MET C 362 ? 0.2291 0.2454 0.2526 -0.0052 -0.0003 0.0186 364 MET C N 7094 C CA . MET C 362 ? 0.2520 0.2683 0.2758 -0.0055 -0.0004 0.0189 364 MET C CA 7095 C C . MET C 362 ? 0.2591 0.2774 0.2842 -0.0058 -0.0006 0.0200 364 MET C C 7096 O O . MET C 362 ? 0.2495 0.2688 0.2751 -0.0057 -0.0003 0.0203 364 MET C O 7097 C CB . MET C 362 ? 0.2270 0.2410 0.2499 -0.0060 -0.0008 0.0188 364 MET C CB 7098 C CG . MET C 362 ? 0.2190 0.2329 0.2423 -0.0063 -0.0008 0.0192 364 MET C CG 7099 S SD . MET C 362 ? 0.2526 0.2665 0.2759 -0.0055 0.0001 0.0186 364 MET C SD 7100 C CE . MET C 362 ? 0.1667 0.1775 0.1886 -0.0055 0.0002 0.0180 364 MET C CE 7101 N N . ARG C 363 ? 0.2801 0.2989 0.3057 -0.0063 -0.0012 0.0205 365 ARG C N 7102 C CA . ARG C 363 ? 0.2889 0.3097 0.3159 -0.0065 -0.0014 0.0217 365 ARG C CA 7103 C C . ARG C 363 ? 0.3238 0.3465 0.3513 -0.0058 -0.0005 0.0217 365 ARG C C 7104 O O . ARG C 363 ? 0.3222 0.3463 0.3505 -0.0058 -0.0003 0.0224 365 ARG C O 7105 C CB . ARG C 363 ? 0.3092 0.3302 0.3367 -0.0071 -0.0021 0.0223 365 ARG C CB 7106 C CG . ARG C 363 ? 0.2893 0.3083 0.3161 -0.0080 -0.0031 0.0224 365 ARG C CG 7107 C CD . ARG C 363 ? 0.2376 0.2572 0.2654 -0.0088 -0.0041 0.0235 365 ARG C CD 7108 N NE . ARG C 363 ? 0.3302 0.3492 0.3576 -0.0090 -0.0046 0.0234 365 ARG C NE 7109 C CZ . ARG C 363 ? 0.3241 0.3412 0.3506 -0.0099 -0.0057 0.0235 365 ARG C CZ 7110 N NH1 . ARG C 363 ? 0.2687 0.2844 0.2946 -0.0106 -0.0064 0.0237 365 ARG C NH1 7111 N NH2 . ARG C 363 ? 0.2897 0.3066 0.3159 -0.0100 -0.0060 0.0235 365 ARG C NH2 7112 N N . GLN C 364 ? 0.2721 0.2947 0.2991 -0.0051 0.0000 0.0210 366 GLN C N 7113 C CA . GLN C 364 ? 0.3092 0.3333 0.3364 -0.0044 0.0009 0.0209 366 GLN C CA 7114 C C . GLN C 364 ? 0.3143 0.3381 0.3409 -0.0041 0.0013 0.0205 366 GLN C C 7115 O O . GLN C 364 ? 0.3037 0.3288 0.3306 -0.0039 0.0017 0.0209 366 GLN C O 7116 C CB . GLN C 364 ? 0.3084 0.3322 0.3351 -0.0038 0.0013 0.0201 366 GLN C CB 7117 C CG . GLN C 364 ? 0.5100 0.5350 0.5367 -0.0030 0.0022 0.0199 366 GLN C CG 7118 C CD . GLN C 364 ? 0.6734 0.7004 0.7012 -0.0028 0.0025 0.0209 366 GLN C CD 7119 O OE1 . GLN C 364 ? 0.8310 0.8590 0.8591 -0.0028 0.0028 0.0215 366 GLN C OE1 7120 N NE2 . GLN C 364 ? 0.7139 0.7415 0.7424 -0.0027 0.0026 0.0213 366 GLN C NE2 7121 N N . LEU C 365 ? 0.2661 0.2881 0.2919 -0.0042 0.0011 0.0198 367 LEU C N 7122 C CA . LEU C 365 ? 0.3066 0.3283 0.3320 -0.0041 0.0014 0.0196 367 LEU C CA 7123 C C . LEU C 365 ? 0.2900 0.3124 0.3161 -0.0046 0.0011 0.0204 367 LEU C C 7124 O O . LEU C 365 ? 0.2427 0.2656 0.2688 -0.0045 0.0014 0.0205 367 LEU C O 7125 C CB . LEU C 365 ? 0.2995 0.3192 0.3241 -0.0040 0.0014 0.0188 367 LEU C CB 7126 C CG . LEU C 365 ? 0.3176 0.3368 0.3415 -0.0034 0.0017 0.0180 367 LEU C CG 7127 C CD1 . LEU C 365 ? 0.3193 0.3365 0.3427 -0.0034 0.0017 0.0174 367 LEU C CD1 7128 C CD2 . LEU C 365 ? 0.3217 0.3417 0.3455 -0.0029 0.0022 0.0178 367 LEU C CD2 7129 N N . LEU C 366 ? 0.2941 0.3164 0.3208 -0.0052 0.0006 0.0210 368 LEU C N 7130 C CA . LEU C 366 ? 0.2737 0.2966 0.3012 -0.0057 0.0002 0.0218 368 LEU C CA 7131 C C . LEU C 366 ? 0.2454 0.2706 0.2741 -0.0058 0.0003 0.0229 368 LEU C C 7132 O O . LEU C 366 ? 0.2248 0.2508 0.2542 -0.0061 0.0002 0.0236 368 LEU C O 7133 C CB . LEU C 366 ? 0.2075 0.2289 0.2350 -0.0064 -0.0005 0.0220 368 LEU C CB 7134 C CG . LEU C 366 ? 0.2230 0.2421 0.2494 -0.0064 -0.0005 0.0211 368 LEU C CG 7135 C CD1 . LEU C 366 ? 0.2134 0.2308 0.2396 -0.0071 -0.0011 0.0213 368 LEU C CD1 7136 C CD2 . LEU C 366 ? 0.1495 0.1688 0.1759 -0.0061 0.0001 0.0210 368 LEU C CD2 7137 N N . SER C 367 ? 0.2650 0.2911 0.2938 -0.0054 0.0006 0.0229 369 SER C N 7138 C CA . SER C 367 ? 0.2706 0.2987 0.3005 -0.0053 0.0008 0.0240 369 SER C CA 7139 C C . SER C 367 ? 0.2326 0.2621 0.2627 -0.0050 0.0014 0.0244 369 SER C C 7140 O O . SER C 367 ? 0.2414 0.2724 0.2726 -0.0051 0.0014 0.0255 369 SER C O 7141 C CB . SER C 367 ? 0.2459 0.2747 0.2761 -0.0048 0.0011 0.0239 369 SER C CB 7142 O OG . SER C 367 ? 0.3374 0.3663 0.3666 -0.0040 0.0020 0.0232 369 SER C OG 7143 N N . GLY C 368 ? 0.2795 0.3084 0.3085 -0.0046 0.0018 0.0236 370 GLY C N 7144 C CA . GLY C 368 ? 0.2337 0.2636 0.2625 -0.0043 0.0023 0.0239 370 GLY C CA 7145 C C . GLY C 368 ? 0.2969 0.3274 0.3266 -0.0049 0.0019 0.0247 370 GLY C C 7146 O O . GLY C 368 ? 0.2530 0.2845 0.2826 -0.0048 0.0023 0.0252 370 GLY C O 7147 N N . LEU C 369 ? 0.3319 0.3615 0.3622 -0.0056 0.0011 0.0249 371 LEU C N 7148 C CA . LEU C 369 ? 0.3068 0.3364 0.3377 -0.0062 0.0007 0.0255 371 LEU C CA 7149 C C . LEU C 369 ? 0.2690 0.3002 0.3013 -0.0066 0.0004 0.0269 371 LEU C C 7150 O O . LEU C 369 ? 0.4207 0.4520 0.4535 -0.0070 0.0002 0.0273 371 LEU C O 7151 C CB . LEU C 369 ? 0.3431 0.3706 0.3738 -0.0068 0.0000 0.0251 371 LEU C CB 7152 C CG . LEU C 369 ? 0.3378 0.3636 0.3675 -0.0066 0.0001 0.0242 371 LEU C CG 7153 C CD1 . LEU C 369 ? 0.2927 0.3166 0.3223 -0.0072 -0.0005 0.0239 371 LEU C CD1 7154 C CD2 . LEU C 369 ? 0.2730 0.2994 0.3028 -0.0066 0.0004 0.0244 371 LEU C CD2 7155 N N . GLY C 370 ? 0.2193 0.2519 0.2525 -0.0066 0.0005 0.0277 372 GLY C N 7156 C CA . GLY C 370 ? 0.2240 0.2572 0.2571 -0.0060 0.0010 0.0275 372 GLY C CA 7157 C C . GLY C 370 ? 0.3384 0.3736 0.3719 -0.0054 0.0018 0.0284 372 GLY C C 7158 O O . GLY C 370 ? 0.2963 0.3331 0.3313 -0.0056 0.0017 0.0297 372 GLY C O 7159 N N . ASN C 371 ? 0.2764 0.3117 0.3087 -0.0048 0.0026 0.0277 373 ASN C N 7160 C CA . ASN C 371 ? 0.2796 0.3164 0.3116 -0.0041 0.0036 0.0282 373 ASN C CA 7161 C C . ASN C 371 ? 0.3072 0.3451 0.3394 -0.0042 0.0038 0.0290 373 ASN C C 7162 O O . ASN C 371 ? 0.2458 0.2830 0.2780 -0.0047 0.0033 0.0289 373 ASN C O 7163 C CB . ASN C 371 ? 0.2998 0.3358 0.3301 -0.0033 0.0043 0.0270 373 ASN C CB 7164 C CG . ASN C 371 ? 0.3228 0.3578 0.3529 -0.0031 0.0042 0.0263 373 ASN C CG 7165 O OD1 . ASN C 371 ? 0.3329 0.3679 0.3641 -0.0036 0.0036 0.0267 373 ASN C OD1 7166 N ND2 . ASN C 371 ? 0.2509 0.2850 0.2795 -0.0025 0.0047 0.0252 373 ASN C ND2 7167 N N . ASN C 372 ? 0.2737 0.3132 0.3061 -0.0036 0.0047 0.0298 374 ASN C N 7168 C CA . ASN C 372 ? 0.3541 0.3948 0.3867 -0.0036 0.0050 0.0307 374 ASN C CA 7169 C C . ASN C 372 ? 0.3910 0.4313 0.4214 -0.0030 0.0058 0.0300 374 ASN C C 7170 O O . ASN C 372 ? 0.3790 0.4201 0.4091 -0.0030 0.0061 0.0306 374 ASN C O 7171 C CB . ASN C 372 ? 0.3183 0.3611 0.3526 -0.0035 0.0053 0.0323 374 ASN C CB 7172 C CG . ASN C 372 ? 0.4393 0.4828 0.4733 -0.0025 0.0065 0.0324 374 ASN C CG 7173 O OD1 . ASN C 372 ? 0.3802 0.4225 0.4129 -0.0021 0.0068 0.0312 374 ASN C OD1 7174 N ND2 . ASN C 372 ? 0.5426 0.5880 0.5778 -0.0021 0.0071 0.0339 374 ASN C ND2 7175 N N . ASP C 373 ? 0.3813 0.4204 0.4102 -0.0025 0.0061 0.0288 375 ASP C N 7176 C CA . ASP C 373 ? 0.3864 0.4250 0.4132 -0.0019 0.0069 0.0281 375 ASP C CA 7177 C C . ASP C 373 ? 0.3971 0.4338 0.4222 -0.0020 0.0066 0.0267 375 ASP C C 7178 O O . ASP C 373 ? 0.3978 0.4338 0.4211 -0.0014 0.0071 0.0259 375 ASP C O 7179 C CB . ASP C 373 ? 0.3168 0.3560 0.3432 -0.0009 0.0080 0.0282 375 ASP C CB 7180 C CG . ASP C 373 ? 0.3682 0.4068 0.3954 -0.0008 0.0078 0.0277 375 ASP C CG 7181 O OD1 . ASP C 373 ? 0.3921 0.4313 0.4194 -0.0001 0.0086 0.0279 375 ASP C OD1 7182 O OD2 . ASP C 373 ? 0.3978 0.4355 0.4255 -0.0015 0.0069 0.0272 375 ASP C OD2 7183 N N . THR C 374 ? 0.3930 0.4289 0.4188 -0.0027 0.0056 0.0264 376 THR C N 7184 C CA . THR C 374 ? 0.3543 0.3885 0.3788 -0.0028 0.0052 0.0253 376 THR C CA 7185 C C . THR C 374 ? 0.3175 0.3516 0.3411 -0.0031 0.0051 0.0255 376 THR C C 7186 O O . THR C 374 ? 0.3088 0.3438 0.3335 -0.0037 0.0047 0.0264 376 THR C O 7187 C CB . THR C 374 ? 0.2871 0.3202 0.3127 -0.0034 0.0043 0.0249 376 THR C CB 7188 O OG1 . THR C 374 ? 0.3182 0.3511 0.3443 -0.0032 0.0044 0.0246 376 THR C OG1 7189 C CG2 . THR C 374 ? 0.2796 0.3111 0.3041 -0.0036 0.0040 0.0240 376 THR C CG2 7190 N N . VAL C 375 ? 0.2758 0.3089 0.2975 -0.0029 0.0053 0.0247 377 VAL C N 7191 C CA . VAL C 375 ? 0.2165 0.2494 0.2371 -0.0032 0.0051 0.0249 377 VAL C CA 7192 C C . VAL C 375 ? 0.2112 0.2427 0.2315 -0.0036 0.0043 0.0242 377 VAL C C 7193 O O . VAL C 375 ? 0.2289 0.2603 0.2489 -0.0042 0.0039 0.0246 377 VAL C O 7194 C CB . VAL C 375 ? 0.2663 0.2992 0.2847 -0.0026 0.0058 0.0248 377 VAL C CB 7195 C CG1 . VAL C 375 ? 0.2348 0.2693 0.2536 -0.0021 0.0067 0.0256 377 VAL C CG1 7196 C CG2 . VAL C 375 ? 0.2725 0.3040 0.2892 -0.0021 0.0060 0.0235 377 VAL C CG2 7197 N N . CYS C 376 ? 0.2501 0.2805 0.2703 -0.0035 0.0042 0.0234 378 CYS C N 7198 C CA . CYS C 376 ? 0.2640 0.2929 0.2839 -0.0038 0.0036 0.0228 378 CYS C CA 7199 C C . CYS C 376 ? 0.2432 0.2714 0.2644 -0.0039 0.0033 0.0224 378 CYS C C 7200 O O . CYS C 376 ? 0.2284 0.2565 0.2497 -0.0034 0.0036 0.0220 378 CYS C O 7201 C CB . CYS C 376 ? 0.2659 0.2937 0.2838 -0.0034 0.0037 0.0220 378 CYS C CB 7202 S SG . CYS C 376 ? 0.2723 0.2984 0.2900 -0.0038 0.0029 0.0214 378 CYS C SG 7203 N N . VAL C 377 ? 0.2507 0.2783 0.2729 -0.0044 0.0027 0.0225 379 VAL C N 7204 C CA . VAL C 377 ? 0.2643 0.2908 0.2873 -0.0044 0.0024 0.0221 379 VAL C CA 7205 C C . VAL C 377 ? 0.2329 0.2581 0.2555 -0.0045 0.0021 0.0216 379 VAL C C 7206 O O . VAL C 377 ? 0.2558 0.2809 0.2785 -0.0049 0.0018 0.0220 379 VAL C O 7207 C CB . VAL C 377 ? 0.2247 0.2515 0.2494 -0.0049 0.0021 0.0227 379 VAL C CB 7208 C CG1 . VAL C 377 ? 0.2236 0.2491 0.2488 -0.0049 0.0019 0.0222 379 VAL C CG1 7209 C CG2 . VAL C 377 ? 0.2427 0.2708 0.2680 -0.0049 0.0023 0.0233 379 VAL C CG2 7210 N N . SER C 378 ? 0.2343 0.2585 0.2566 -0.0041 0.0022 0.0208 380 SER C N 7211 C CA . SER C 378 ? 0.2323 0.2553 0.2543 -0.0041 0.0019 0.0204 380 SER C CA 7212 C C . SER C 378 ? 0.2795 0.3014 0.3021 -0.0039 0.0019 0.0199 380 SER C C 7213 O O . SER C 378 ? 0.2558 0.2778 0.2789 -0.0038 0.0021 0.0198 380 SER C O 7214 C CB . SER C 378 ? 0.2415 0.2642 0.2618 -0.0037 0.0020 0.0199 380 SER C CB 7215 O OG . SER C 378 ? 0.2918 0.3141 0.3118 -0.0032 0.0024 0.0191 380 SER C OG 7216 N N . GLN C 379 ? 0.2454 0.2662 0.2680 -0.0039 0.0017 0.0197 381 GLN C N 7217 C CA . GLN C 379 ? 0.2639 0.2836 0.2870 -0.0036 0.0018 0.0192 381 GLN C CA 7218 C C . GLN C 379 ? 0.2536 0.2733 0.2759 -0.0030 0.0021 0.0184 381 GLN C C 7219 O O . GLN C 379 ? 0.2365 0.2555 0.2590 -0.0028 0.0022 0.0180 381 GLN C O 7220 C CB . GLN C 379 ? 0.2889 0.3077 0.3125 -0.0037 0.0016 0.0194 381 GLN C CB 7221 C CG . GLN C 379 ? 0.2419 0.2594 0.2659 -0.0033 0.0017 0.0190 381 GLN C CG 7222 C CD . GLN C 379 ? 0.2440 0.2612 0.2688 -0.0034 0.0020 0.0191 381 GLN C CD 7223 O OE1 . GLN C 379 ? 0.2842 0.3008 0.3098 -0.0037 0.0019 0.0196 381 GLN C OE1 7224 N NE2 . GLN C 379 ? 0.2023 0.2197 0.2266 -0.0033 0.0021 0.0187 381 GLN C NE2 7225 N N . SER C 380 ? 0.3159 0.3360 0.3370 -0.0029 0.0022 0.0182 382 SER C N 7226 C CA . SER C 380 ? 0.3278 0.3479 0.3481 -0.0023 0.0025 0.0175 382 SER C CA 7227 C C . SER C 380 ? 0.3869 0.4080 0.4074 -0.0021 0.0029 0.0176 382 SER C C 7228 O O . SER C 380 ? 0.4297 0.4508 0.4500 -0.0017 0.0032 0.0171 382 SER C O 7229 C CB . SER C 380 ? 0.2993 0.3194 0.3182 -0.0021 0.0024 0.0173 382 SER C CB 7230 O OG . SER C 380 ? 0.3927 0.4118 0.4114 -0.0024 0.0019 0.0173 382 SER C OG 7231 N N . GLY C 381 ? 0.3571 0.3791 0.3781 -0.0025 0.0028 0.0183 383 GLY C N 7232 C CA . GLY C 381 ? 0.2910 0.3141 0.3124 -0.0024 0.0031 0.0186 383 GLY C CA 7233 C C . GLY C 381 ? 0.2877 0.3120 0.3090 -0.0026 0.0033 0.0193 383 GLY C C 7234 O O . GLY C 381 ? 0.3207 0.3449 0.3418 -0.0030 0.0030 0.0196 383 GLY C O 7235 N N . TYR C 382 ? 0.2014 0.2269 0.2229 -0.0024 0.0037 0.0196 384 TYR C N 7236 C CA . TYR C 382 ? 0.2068 0.2335 0.2283 -0.0026 0.0038 0.0204 384 TYR C CA 7237 C C . TYR C 382 ? 0.2450 0.2725 0.2656 -0.0020 0.0046 0.0204 384 TYR C C 7238 O O . TYR C 382 ? 0.1961 0.2235 0.2165 -0.0015 0.0049 0.0199 384 TYR C O 7239 C CB . TYR C 382 ? 0.1742 0.2017 0.1972 -0.0030 0.0036 0.0212 384 TYR C CB 7240 C CG . TYR C 382 ? 0.1889 0.2168 0.2128 -0.0029 0.0037 0.0213 384 TYR C CG 7241 C CD1 . TYR C 382 ? 0.2030 0.2323 0.2271 -0.0025 0.0042 0.0218 384 TYR C CD1 7242 C CD2 . TYR C 382 ? 0.2257 0.2526 0.2501 -0.0030 0.0033 0.0209 384 TYR C CD2 7243 C CE1 . TYR C 382 ? 0.1978 0.2275 0.2228 -0.0024 0.0043 0.0220 384 TYR C CE1 7244 C CE2 . TYR C 382 ? 0.1890 0.2162 0.2140 -0.0030 0.0033 0.0210 384 TYR C CE2 7245 C CZ . TYR C 382 ? 0.1892 0.2178 0.2146 -0.0027 0.0038 0.0216 384 TYR C CZ 7246 O OH . TYR C 382 ? 0.2424 0.2714 0.2686 -0.0027 0.0037 0.0219 384 TYR C OH 7247 N N . THR C 383 ? 0.2603 0.2885 0.2802 -0.0020 0.0048 0.0209 385 THR C N 7248 C CA . THR C 383 ? 0.2866 0.3152 0.3052 -0.0013 0.0056 0.0208 385 THR C CA 7249 C C . THR C 383 ? 0.2841 0.3143 0.3031 -0.0013 0.0061 0.0218 385 THR C C 7250 O O . THR C 383 ? 0.2551 0.2859 0.2750 -0.0018 0.0057 0.0226 385 THR C O 7251 C CB . THR C 383 ? 0.2393 0.2668 0.2558 -0.0012 0.0057 0.0202 385 THR C CB 7252 O OG1 . THR C 383 ? 0.2407 0.2683 0.2569 -0.0017 0.0052 0.0207 385 THR C OG1 7253 C CG2 . THR C 383 ? 0.1710 0.1970 0.1872 -0.0012 0.0052 0.0192 385 THR C CG2 7254 N N . LYS C 384 ? 0.3698 0.4006 0.3882 -0.0005 0.0070 0.0219 386 LYS C N 7255 C CA . LYS C 384 ? 0.3554 0.3876 0.3737 -0.0003 0.0077 0.0229 386 LYS C CA 7256 C C . LYS C 384 ? 0.3973 0.4288 0.4132 -0.0001 0.0081 0.0226 386 LYS C C 7257 O O . LYS C 384 ? 0.3987 0.4286 0.4129 0.0000 0.0079 0.0216 386 LYS C O 7258 C CB . LYS C 384 ? 0.3848 0.4180 0.4038 0.0004 0.0086 0.0233 386 LYS C CB 7259 C CG . LYS C 384 ? 0.3663 0.4002 0.3876 0.0001 0.0082 0.0237 386 LYS C CG 7260 C CD . LYS C 384 ? 0.4034 0.4384 0.4255 0.0008 0.0091 0.0243 386 LYS C CD 7261 C CE . LYS C 384 ? 0.4454 0.4808 0.4696 0.0004 0.0085 0.0247 386 LYS C CE 7262 N NZ . LYS C 384 ? 0.4950 0.5321 0.5208 0.0009 0.0092 0.0258 386 LYS C NZ 7263 N N . GLY C 385 ? 0.4434 0.4759 0.4589 0.0000 0.0086 0.0234 387 GLY C N 7264 C CA . GLY C 385 ? 0.4851 0.5169 0.4981 0.0002 0.0089 0.0232 387 GLY C CA 7265 C C . GLY C 385 ? 0.4936 0.5251 0.5048 0.0012 0.0102 0.0230 387 GLY C C 7266 O O . GLY C 385 ? 0.4986 0.5308 0.5088 0.0016 0.0110 0.0236 387 GLY C O 7267 N N . GLU C 386 ? 0.5129 0.5434 0.5237 0.0017 0.0104 0.0221 388 GLU C N 7268 C CA . GLU C 386 ? 0.4858 0.5158 0.4948 0.0028 0.0116 0.0217 388 GLU C CA 7269 C C . GLU C 386 ? 0.4692 0.4972 0.4748 0.0029 0.0117 0.0209 388 GLU C C 7270 O O . GLU C 386 ? 0.4960 0.5238 0.4997 0.0035 0.0127 0.0210 388 GLU C O 7271 C CB . GLU C 386 ? 0.5131 0.5428 0.5231 0.0032 0.0118 0.0212 388 GLU C CB 7272 C CG . GLU C 386 ? 0.5810 0.6124 0.5941 0.0030 0.0117 0.0220 388 GLU C CG 7273 C CD . GLU C 386 ? 0.7637 0.7949 0.7777 0.0035 0.0119 0.0215 388 GLU C CD 7274 O OE1 . GLU C 386 ? 0.7582 0.7878 0.7705 0.0038 0.0120 0.0204 388 GLU C OE1 7275 O OE2 . GLU C 386 ? 0.7527 0.7852 0.7690 0.0034 0.0119 0.0223 388 GLU C OE2 7276 N N . THR C 387 ? 0.3077 0.3342 0.3126 0.0023 0.0106 0.0200 389 THR C N 7277 C CA . THR C 387 ? 0.3095 0.3341 0.3114 0.0022 0.0104 0.0192 389 THR C CA 7278 C C . THR C 387 ? 0.3364 0.3605 0.3386 0.0011 0.0089 0.0192 389 THR C C 7279 O O . THR C 387 ? 0.3007 0.3257 0.3054 0.0006 0.0082 0.0195 389 THR C O 7280 C CB . THR C 387 ? 0.3295 0.3523 0.3299 0.0028 0.0106 0.0180 389 THR C CB 7281 O OG1 . THR C 387 ? 0.2831 0.3053 0.2847 0.0022 0.0094 0.0174 389 THR C OG1 7282 C CG2 . THR C 387 ? 0.2965 0.3200 0.2976 0.0038 0.0119 0.0181 389 THR C CG2 7283 N N . PRO C 388 ? 0.3303 0.3529 0.3299 0.0008 0.0085 0.0188 390 PRO C N 7284 C CA . PRO C 388 ? 0.2893 0.3114 0.2893 -0.0002 0.0071 0.0189 390 PRO C CA 7285 C C . PRO C 388 ? 0.3260 0.3468 0.3263 -0.0005 0.0062 0.0180 390 PRO C C 7286 O O . PRO C 388 ? 0.2910 0.3113 0.2918 -0.0013 0.0051 0.0181 390 PRO C O 7287 C CB . PRO C 388 ? 0.3517 0.3727 0.3487 -0.0005 0.0069 0.0190 390 PRO C CB 7288 C CG . PRO C 388 ? 0.3645 0.3859 0.3599 0.0004 0.0083 0.0192 390 PRO C CG 7289 C CD . PRO C 388 ? 0.3277 0.3493 0.3240 0.0013 0.0092 0.0187 390 PRO C CD 7290 N N . PHE C 389 ? 0.3319 0.3522 0.3321 0.0002 0.0067 0.0173 391 PHE C N 7291 C CA . PHE C 389 ? 0.3786 0.3975 0.3788 0.0001 0.0060 0.0165 391 PHE C CA 7292 C C . PHE C 389 ? 0.3799 0.3995 0.3826 0.0004 0.0061 0.0163 391 PHE C C 7293 O O . PHE C 389 ? 0.4024 0.4232 0.4064 0.0009 0.0069 0.0165 391 PHE C O 7294 C CB . PHE C 389 ? 0.3825 0.3994 0.3796 0.0006 0.0063 0.0156 391 PHE C CB 7295 C CG . PHE C 389 ? 0.4461 0.4619 0.4404 0.0003 0.0061 0.0157 391 PHE C CG 7296 C CD1 . PHE C 389 ? 0.4140 0.4290 0.4077 -0.0007 0.0048 0.0159 391 PHE C CD1 7297 C CD2 . PHE C 389 ? 0.4072 0.4227 0.3991 0.0010 0.0072 0.0156 391 PHE C CD2 7298 C CE1 . PHE C 389 ? 0.4161 0.4300 0.4071 -0.0011 0.0045 0.0160 391 PHE C CE1 7299 C CE2 . PHE C 389 ? 0.4283 0.4426 0.4172 0.0007 0.0071 0.0157 391 PHE C CE2 7300 C CZ . PHE C 389 ? 0.3884 0.4019 0.3768 -0.0004 0.0056 0.0159 391 PHE C CZ 7301 N N . VAL C 390 ? 0.2840 0.3027 0.2874 0.0000 0.0052 0.0159 392 VAL C N 7302 C CA . VAL C 390 ? 0.3349 0.3539 0.3403 0.0002 0.0052 0.0155 392 VAL C CA 7303 C C . VAL C 390 ? 0.3359 0.3532 0.3403 0.0003 0.0047 0.0146 392 VAL C C 7304 O O . VAL C 390 ? 0.3130 0.3289 0.3158 -0.0001 0.0040 0.0144 392 VAL C O 7305 C CB . VAL C 390 ? 0.3159 0.3357 0.3238 -0.0004 0.0045 0.0161 392 VAL C CB 7306 C CG1 . VAL C 390 ? 0.3228 0.3443 0.3322 -0.0003 0.0051 0.0168 392 VAL C CG1 7307 C CG2 . VAL C 390 ? 0.2477 0.2671 0.2554 -0.0013 0.0036 0.0165 392 VAL C CG2 7308 N N . LYS C 391 ? 0.4032 0.4206 0.4087 0.0008 0.0051 0.0142 393 LYS C N 7309 C CA . LYS C 391 ? 0.4297 0.4456 0.4345 0.0010 0.0047 0.0134 393 LYS C CA 7310 C C . LYS C 391 ? 0.4759 0.4912 0.4818 0.0003 0.0035 0.0135 393 LYS C C 7311 O O . LYS C 391 ? 0.5340 0.5479 0.5387 0.0001 0.0028 0.0131 393 LYS C O 7312 C CB . LYS C 391 ? 0.4703 0.4867 0.4763 0.0017 0.0053 0.0130 393 LYS C CB 7313 C CG . LYS C 391 ? 0.5044 0.5195 0.5102 0.0019 0.0049 0.0122 393 LYS C CG 7314 C CD . LYS C 391 ? 0.5200 0.5336 0.5232 0.0023 0.0051 0.0116 393 LYS C CD 7315 C CE . LYS C 391 ? 0.4897 0.5020 0.4927 0.0025 0.0047 0.0108 393 LYS C CE 7316 N NZ . LYS C 391 ? 0.5049 0.5154 0.5052 0.0027 0.0047 0.0102 393 LYS C NZ 7317 N N . ASP C 392 ? 0.3125 0.3289 0.3205 0.0000 0.0033 0.0141 394 ASP C N 7318 C CA . ASP C 392 ? 0.3881 0.4041 0.3973 -0.0006 0.0024 0.0143 394 ASP C CA 7319 C C . ASP C 392 ? 0.3558 0.3725 0.3658 -0.0013 0.0021 0.0152 394 ASP C C 7320 O O . ASP C 392 ? 0.3321 0.3499 0.3422 -0.0013 0.0026 0.0156 394 ASP C O 7321 C CB . ASP C 392 ? 0.3825 0.3987 0.3937 -0.0004 0.0025 0.0142 394 ASP C CB 7322 C CG . ASP C 392 ? 0.4684 0.4837 0.4790 0.0001 0.0026 0.0134 394 ASP C CG 7323 O OD1 . ASP C 392 ? 0.5284 0.5426 0.5387 -0.0001 0.0019 0.0132 394 ASP C OD1 7324 O OD2 . ASP C 392 ? 0.5354 0.5512 0.5461 0.0007 0.0033 0.0130 394 ASP C OD2 7325 N N . TYR C 393 ? 0.3616 0.3777 0.3722 -0.0019 0.0012 0.0156 395 TYR C N 7326 C CA . TYR C 393 ? 0.4000 0.4168 0.4116 -0.0025 0.0009 0.0165 395 TYR C CA 7327 C C . TYR C 393 ? 0.4048 0.4228 0.4182 -0.0025 0.0014 0.0168 395 TYR C C 7328 O O . TYR C 393 ? 0.3320 0.3501 0.3465 -0.0021 0.0017 0.0165 395 TYR C O 7329 C CB . TYR C 393 ? 0.3961 0.4121 0.4085 -0.0031 -0.0001 0.0169 395 TYR C CB 7330 C CG . TYR C 393 ? 0.4603 0.4751 0.4710 -0.0034 -0.0008 0.0168 395 TYR C CG 7331 C CD1 . TYR C 393 ? 0.4077 0.4214 0.4182 -0.0032 -0.0011 0.0163 395 TYR C CD1 7332 C CD2 . TYR C 393 ? 0.4569 0.4716 0.4661 -0.0039 -0.0012 0.0172 395 TYR C CD2 7333 C CE1 . TYR C 393 ? 0.4583 0.4707 0.4671 -0.0035 -0.0020 0.0162 395 TYR C CE1 7334 C CE2 . TYR C 393 ? 0.4369 0.4503 0.4443 -0.0043 -0.0020 0.0171 395 TYR C CE2 7335 C CZ . TYR C 393 ? 0.4847 0.4968 0.4919 -0.0041 -0.0024 0.0166 395 TYR C CZ 7336 O OH . TYR C 393 ? 0.4446 0.4553 0.4499 -0.0045 -0.0034 0.0165 395 TYR C OH 7337 N N . LEU C 394 ? 0.3681 0.3870 0.3817 -0.0028 0.0014 0.0175 396 LEU C N 7338 C CA . LEU C 394 ? 0.2845 0.3044 0.3000 -0.0030 0.0016 0.0180 396 LEU C CA 7339 C C . LEU C 394 ? 0.3361 0.3556 0.3530 -0.0035 0.0010 0.0186 396 LEU C C 7340 O O . LEU C 394 ? 0.3381 0.3576 0.3548 -0.0041 0.0005 0.0192 396 LEU C O 7341 C CB . LEU C 394 ? 0.2757 0.2968 0.2910 -0.0031 0.0019 0.0186 396 LEU C CB 7342 C CG . LEU C 394 ? 0.2881 0.3098 0.3023 -0.0025 0.0027 0.0183 396 LEU C CG 7343 C CD1 . LEU C 394 ? 0.2986 0.3214 0.3124 -0.0027 0.0030 0.0189 396 LEU C CD1 7344 C CD2 . LEU C 394 ? 0.2673 0.2896 0.2830 -0.0021 0.0032 0.0180 396 LEU C CD2 7345 N N . SER C 395 ? 0.2800 0.2991 0.2982 -0.0033 0.0010 0.0184 397 SER C N 7346 C CA . SER C 395 ? 0.3084 0.3270 0.3280 -0.0037 0.0006 0.0189 397 SER C CA 7347 C C . SER C 395 ? 0.3600 0.3793 0.3807 -0.0042 0.0006 0.0198 397 SER C C 7348 O O . SER C 395 ? 0.3300 0.3501 0.3510 -0.0041 0.0010 0.0198 397 SER C O 7349 C CB . SER C 395 ? 0.3620 0.3799 0.3826 -0.0033 0.0008 0.0185 397 SER C CB 7350 O OG . SER C 395 ? 0.4556 0.4730 0.4752 -0.0028 0.0009 0.0177 397 SER C OG 7351 N N . PRO C 396 ? 0.2813 0.3004 0.3028 -0.0047 0.0001 0.0205 398 PRO C N 7352 C CA . PRO C 396 ? 0.2936 0.3132 0.3164 -0.0051 0.0000 0.0214 398 PRO C CA 7353 C C . PRO C 396 ? 0.2513 0.2704 0.2756 -0.0049 0.0004 0.0214 398 PRO C C 7354 O O . PRO C 396 ? 0.2786 0.2969 0.3030 -0.0045 0.0005 0.0208 398 PRO C O 7355 C CB . PRO C 396 ? 0.3247 0.3441 0.3477 -0.0057 -0.0006 0.0221 398 PRO C CB 7356 C CG . PRO C 396 ? 0.3111 0.3295 0.3338 -0.0055 -0.0009 0.0217 398 PRO C CG 7357 C CD . PRO C 396 ? 0.2819 0.3002 0.3031 -0.0049 -0.0005 0.0207 398 PRO C CD 7358 N N . PRO C 397 ? 0.2341 0.2536 0.2595 -0.0052 0.0005 0.0219 399 PRO C N 7359 C CA . PRO C 397 ? 0.2711 0.2916 0.2966 -0.0057 0.0003 0.0226 399 PRO C CA 7360 C C . PRO C 397 ? 0.2649 0.2864 0.2892 -0.0055 0.0006 0.0222 399 PRO C C 7361 O O . PRO C 397 ? 0.2211 0.2424 0.2450 -0.0050 0.0010 0.0215 399 PRO C O 7362 C CB . PRO C 397 ? 0.2595 0.2799 0.2866 -0.0059 0.0005 0.0231 399 PRO C CB 7363 C CG . PRO C 397 ? 0.2636 0.2827 0.2914 -0.0056 0.0006 0.0230 399 PRO C CG 7364 C CD . PRO C 397 ? 0.2429 0.2615 0.2696 -0.0051 0.0008 0.0220 399 PRO C CD 7365 N N . LYS C 398 ? 0.2757 0.2983 0.2997 -0.0059 0.0005 0.0227 400 LYS C N 7366 C CA . LYS C 398 ? 0.2973 0.3208 0.3202 -0.0056 0.0008 0.0225 400 LYS C CA 7367 C C . LYS C 398 ? 0.3032 0.3279 0.3261 -0.0061 0.0007 0.0233 400 LYS C C 7368 O O . LYS C 398 ? 0.3066 0.3312 0.3299 -0.0066 0.0002 0.0240 400 LYS C O 7369 C CB . LYS C 398 ? 0.2367 0.2599 0.2578 -0.0052 0.0009 0.0217 400 LYS C CB 7370 C CG . LYS C 398 ? 0.3277 0.3505 0.3477 -0.0055 0.0005 0.0219 400 LYS C CG 7371 C CD . LYS C 398 ? 0.3186 0.3407 0.3366 -0.0050 0.0006 0.0210 400 LYS C CD 7372 C CE . LYS C 398 ? 0.2719 0.2933 0.2887 -0.0054 0.0000 0.0211 400 LYS C CE 7373 N NZ . LYS C 398 ? 0.3030 0.3234 0.3178 -0.0049 0.0001 0.0203 400 LYS C NZ 7374 N N . TYR C 399 ? 0.2660 0.2918 0.2886 -0.0059 0.0010 0.0235 401 TYR C N 7375 C CA . TYR C 399 ? 0.3493 0.3763 0.3720 -0.0063 0.0010 0.0243 401 TYR C CA 7376 C C . TYR C 399 ? 0.3195 0.3476 0.3413 -0.0059 0.0016 0.0243 401 TYR C C 7377 O O . TYR C 399 ? 0.3050 0.3331 0.3268 -0.0054 0.0020 0.0237 401 TYR C O 7378 C CB . TYR C 399 ? 0.2357 0.2631 0.2603 -0.0068 0.0007 0.0251 401 TYR C CB 7379 C CG . TYR C 399 ? 0.3084 0.3360 0.3342 -0.0066 0.0010 0.0250 401 TYR C CG 7380 C CD1 . TYR C 399 ? 0.3115 0.3379 0.3377 -0.0064 0.0010 0.0244 401 TYR C CD1 7381 C CD2 . TYR C 399 ? 0.2776 0.3065 0.3038 -0.0067 0.0012 0.0256 401 TYR C CD2 7382 C CE1 . TYR C 399 ? 0.2370 0.2633 0.2639 -0.0063 0.0011 0.0243 401 TYR C CE1 7383 C CE2 . TYR C 399 ? 0.2948 0.3238 0.3219 -0.0066 0.0013 0.0256 401 TYR C CE2 7384 C CZ . TYR C 399 ? 0.2775 0.3052 0.3049 -0.0065 0.0012 0.0249 401 TYR C CZ 7385 O OH . TYR C 399 ? 0.2229 0.2506 0.2511 -0.0065 0.0012 0.0249 401 TYR C OH 7386 N N . GLY C 400 ? 0.2264 0.2553 0.2474 -0.0061 0.0016 0.0249 402 GLY C N 7387 C CA . GLY C 400 ? 0.2254 0.2554 0.2456 -0.0056 0.0023 0.0250 402 GLY C CA 7388 C C . GLY C 400 ? 0.2527 0.2822 0.2705 -0.0053 0.0026 0.0246 402 GLY C C 7389 O O . GLY C 400 ? 0.2562 0.2847 0.2728 -0.0056 0.0021 0.0244 402 GLY C O 7390 N N . ARG C 401 ? 0.3123 0.3424 0.3291 -0.0046 0.0034 0.0245 403 ARG C N 7391 C CA . ARG C 401 ? 0.4035 0.4330 0.4177 -0.0042 0.0038 0.0240 403 ARG C CA 7392 C C . ARG C 401 ? 0.3481 0.3762 0.3615 -0.0037 0.0039 0.0228 403 ARG C C 7393 O O . ARG C 401 ? 0.3777 0.4060 0.3910 -0.0030 0.0046 0.0224 403 ARG C O 7394 C CB . ARG C 401 ? 0.3783 0.4090 0.3919 -0.0036 0.0048 0.0244 403 ARG C CB 7395 C CG . ARG C 401 ? 0.3820 0.4141 0.3962 -0.0040 0.0048 0.0256 403 ARG C CG 7396 C CD . ARG C 401 ? 0.5166 0.5502 0.5313 -0.0034 0.0058 0.0262 403 ARG C CD 7397 N NE . ARG C 401 ? 0.4525 0.4857 0.4646 -0.0027 0.0067 0.0260 403 ARG C NE 7398 C CZ . ARG C 401 ? 0.5195 0.5528 0.5298 -0.0028 0.0068 0.0264 403 ARG C CZ 7399 N NH1 . ARG C 401 ? 0.5242 0.5580 0.5352 -0.0036 0.0061 0.0272 403 ARG C NH1 7400 N NH2 . ARG C 401 ? 0.4706 0.5033 0.4783 -0.0021 0.0078 0.0261 403 ARG C NH2 7401 N N . CYS C 402 ? 0.3339 0.3607 0.3470 -0.0041 0.0031 0.0224 404 CYS C N 7402 C CA . CYS C 402 ? 0.3319 0.3575 0.3448 -0.0038 0.0030 0.0215 404 CYS C CA 7403 C C . CYS C 402 ? 0.3757 0.4000 0.3859 -0.0034 0.0032 0.0207 404 CYS C C 7404 O O . CYS C 402 ? 0.3191 0.3427 0.3276 -0.0038 0.0028 0.0208 404 CYS C O 7405 C CB . CYS C 402 ? 0.2941 0.3190 0.3084 -0.0044 0.0022 0.0215 404 CYS C CB 7406 S SG . CYS C 402 ? 0.4321 0.4580 0.4493 -0.0046 0.0021 0.0221 404 CYS C SG 7407 N N . GLN C 403 ? 0.3142 0.3381 0.3240 -0.0027 0.0037 0.0199 405 GLN C N 7408 C CA . GLN C 403 ? 0.3255 0.3480 0.3328 -0.0023 0.0040 0.0191 405 GLN C CA 7409 C C . GLN C 403 ? 0.3473 0.3683 0.3540 -0.0027 0.0030 0.0187 405 GLN C C 7410 O O . GLN C 403 ? 0.3046 0.3255 0.3129 -0.0032 0.0023 0.0189 405 GLN C O 7411 C CB . GLN C 403 ? 0.2962 0.3188 0.3037 -0.0014 0.0048 0.0185 405 GLN C CB 7412 C CG . GLN C 403 ? 0.3336 0.3576 0.3414 -0.0008 0.0059 0.0189 405 GLN C CG 7413 C CD . GLN C 403 ? 0.3328 0.3585 0.3433 -0.0011 0.0058 0.0198 405 GLN C CD 7414 O OE1 . GLN C 403 ? 0.2675 0.2931 0.2795 -0.0016 0.0051 0.0199 405 GLN C OE1 7415 N NE2 . GLN C 403 ? 0.2845 0.3115 0.2953 -0.0007 0.0067 0.0204 405 GLN C NE2 7416 N N . LEU C 404 ? 0.2728 0.2924 0.2769 -0.0025 0.0030 0.0180 406 LEU C N 7417 C CA . LEU C 404 ? 0.2668 0.2848 0.2699 -0.0029 0.0020 0.0177 406 LEU C CA 7418 C C . LEU C 404 ? 0.2977 0.3144 0.2997 -0.0023 0.0023 0.0166 406 LEU C C 7419 O O . LEU C 404 ? 0.2442 0.2608 0.2450 -0.0015 0.0032 0.0162 406 LEU C O 7420 C CB . LEU C 404 ? 0.2672 0.2842 0.2678 -0.0035 0.0015 0.0179 406 LEU C CB 7421 C CG . LEU C 404 ? 0.2792 0.2974 0.2806 -0.0041 0.0012 0.0190 406 LEU C CG 7422 C CD1 . LEU C 404 ? 0.2893 0.3067 0.2877 -0.0044 0.0011 0.0191 406 LEU C CD1 7423 C CD2 . LEU C 404 ? 0.2430 0.2613 0.2465 -0.0049 0.0001 0.0196 406 LEU C CD2 7424 N N . LYS C 405 ? 0.4857 0.5014 0.4883 -0.0026 0.0014 0.0163 407 LYS C N 7425 C CA . LYS C 405 ? 0.4558 0.4701 0.4573 -0.0021 0.0015 0.0154 407 LYS C CA 7426 C C . LYS C 405 ? 0.4713 0.4839 0.4696 -0.0022 0.0012 0.0149 407 LYS C C 7427 O O . LYS C 405 ? 0.4310 0.4428 0.4284 -0.0029 0.0002 0.0153 407 LYS C O 7428 C CB . LYS C 405 ? 0.4129 0.4268 0.4162 -0.0023 0.0008 0.0153 407 LYS C CB 7429 C CG . LYS C 405 ? 0.4096 0.4222 0.4119 -0.0018 0.0008 0.0144 407 LYS C CG 7430 C CD . LYS C 405 ? 0.5524 0.5647 0.5567 -0.0020 0.0001 0.0144 407 LYS C CD 7431 C CE . LYS C 405 ? 0.5589 0.5699 0.5623 -0.0015 0.0001 0.0135 407 LYS C CE 7432 N NZ . LYS C 405 ? 0.5920 0.6034 0.5977 -0.0013 0.0001 0.0134 407 LYS C NZ 7433 N N . THR C 406 ? 0.3675 0.3794 0.3640 -0.0014 0.0021 0.0142 408 THR C N 7434 C CA . THR C 406 ? 0.4584 0.4682 0.4517 -0.0013 0.0018 0.0136 408 THR C CA 7435 C C . THR C 406 ? 0.4722 0.4811 0.4653 -0.0006 0.0022 0.0126 408 THR C C 7436 O O . THR C 406 ? 0.3766 0.3867 0.3716 0.0000 0.0030 0.0125 408 THR C O 7437 C CB . THR C 406 ? 0.4803 0.4898 0.4708 -0.0010 0.0026 0.0136 408 THR C CB 7438 O OG1 . THR C 406 ? 0.4937 0.5007 0.4808 -0.0011 0.0021 0.0129 408 THR C OG1 7439 C CG2 . THR C 406 ? 0.3942 0.4047 0.3850 0.0001 0.0042 0.0133 408 THR C CG2 7440 N N . ASP C 407 ? 0.4857 0.4925 0.4766 -0.0007 0.0015 0.0120 409 ASP C N 7441 C CA . ASP C 407 ? 0.5531 0.5588 0.5436 -0.0001 0.0018 0.0111 409 ASP C CA 7442 C C . ASP C 407 ? 0.5280 0.5337 0.5169 0.0010 0.0034 0.0106 409 ASP C C 7443 O O . ASP C 407 ? 0.5342 0.5393 0.5207 0.0011 0.0039 0.0107 409 ASP C O 7444 C CB . ASP C 407 ? 0.6122 0.6156 0.6008 -0.0005 0.0006 0.0106 409 ASP C CB 7445 C CG . ASP C 407 ? 0.7856 0.7892 0.7764 -0.0015 -0.0008 0.0113 409 ASP C CG 7446 O OD1 . ASP C 407 ? 0.7476 0.7530 0.7415 -0.0015 -0.0007 0.0118 409 ASP C OD1 7447 O OD2 . ASP C 407 ? 0.9145 0.9164 0.9038 -0.0022 -0.0021 0.0113 409 ASP C OD2 7448 N N . SER C 408 ? 0.4681 0.4742 0.4583 0.0018 0.0041 0.0101 410 SER C N 7449 C CA . SER C 408 ? 0.4895 0.4955 0.4785 0.0028 0.0056 0.0097 410 SER C CA 7450 C C . SER C 408 ? 0.5238 0.5274 0.5087 0.0031 0.0059 0.0091 410 SER C C 7451 O O . SER C 408 ? 0.4826 0.4864 0.4660 0.0037 0.0071 0.0092 410 SER C O 7452 C CB . SER C 408 ? 0.3827 0.3889 0.3734 0.0035 0.0059 0.0091 410 SER C CB 7453 O OG . SER C 408 ? 0.6086 0.6142 0.5978 0.0045 0.0073 0.0086 410 SER C OG 7454 N N . GLY C 409 ? 0.6024 0.6038 0.5856 0.0026 0.0047 0.0085 411 GLY C N 7455 C CA . GLY C 409 ? 0.6362 0.6350 0.6152 0.0027 0.0047 0.0079 411 GLY C CA 7456 C C . GLY C 409 ? 0.6505 0.6489 0.6270 0.0023 0.0048 0.0083 411 GLY C C 7457 O O . GLY C 409 ? 0.6546 0.6516 0.6280 0.0030 0.0058 0.0079 411 GLY C O 7458 N N . ARG C 410 ? 0.5811 0.5807 0.5590 0.0014 0.0039 0.0092 412 ARG C N 7459 C CA . ARG C 410 ? 0.6217 0.6208 0.5972 0.0009 0.0037 0.0096 412 ARG C CA 7460 C C . ARG C 410 ? 0.5663 0.5670 0.5417 0.0016 0.0054 0.0101 412 ARG C C 7461 O O . ARG C 410 ? 0.5537 0.5544 0.5275 0.0013 0.0054 0.0106 412 ARG C O 7462 C CB . ARG C 410 ? 0.6496 0.6496 0.6269 -0.0004 0.0021 0.0105 412 ARG C CB 7463 C CG . ARG C 410 ? 0.6480 0.6461 0.6245 -0.0014 0.0003 0.0103 412 ARG C CG 7464 C CD . ARG C 410 ? 0.8033 0.8026 0.7820 -0.0025 -0.0010 0.0114 412 ARG C CD 7465 N NE . ARG C 410 ? 0.9649 0.9625 0.9432 -0.0035 -0.0028 0.0114 412 ARG C NE 7466 C CZ . ARG C 410 ? 0.9143 0.9116 0.8925 -0.0047 -0.0042 0.0122 412 ARG C CZ 7467 N NH1 . ARG C 410 ? 0.9334 0.9321 0.9120 -0.0050 -0.0041 0.0131 412 ARG C NH1 7468 N NH2 . ARG C 410 ? 0.8756 0.8714 0.8536 -0.0055 -0.0059 0.0123 412 ARG C NH2 7469 N N . ILE C 411 ? 0.5551 0.5572 0.5324 0.0026 0.0068 0.0100 413 ILE C N 7470 C CA . ILE C 411 ? 0.5918 0.5956 0.5696 0.0034 0.0083 0.0106 413 ILE C CA 7471 C C . ILE C 411 ? 0.6138 0.6158 0.5877 0.0043 0.0097 0.0101 413 ILE C C 7472 O O . ILE C 411 ? 0.6432 0.6441 0.6163 0.0052 0.0106 0.0094 413 ILE C O 7473 C CB . ILE C 411 ? 0.6299 0.6360 0.6114 0.0041 0.0092 0.0109 413 ILE C CB 7474 C CG1 . ILE C 411 ? 0.6420 0.6499 0.6271 0.0032 0.0080 0.0114 413 ILE C CG1 7475 C CG2 . ILE C 411 ? 0.5787 0.5866 0.5607 0.0049 0.0109 0.0116 413 ILE C CG2 7476 C CD1 . ILE C 411 ? 0.6003 0.6101 0.5888 0.0037 0.0086 0.0116 413 ILE C CD1 7477 N N . PRO C 412 ? 0.6120 0.6135 0.5835 0.0041 0.0098 0.0105 414 PRO C N 7478 C CA . PRO C 412 ? 0.6308 0.6301 0.5980 0.0049 0.0110 0.0100 414 PRO C CA 7479 C C . PRO C 412 ? 0.6249 0.6256 0.5929 0.0063 0.0132 0.0103 414 PRO C C 7480 O O . PRO C 412 ? 0.6033 0.6069 0.5750 0.0065 0.0138 0.0111 414 PRO C O 7481 C CB . PRO C 412 ? 0.6255 0.6245 0.5906 0.0041 0.0105 0.0106 414 PRO C CB 7482 C CG . PRO C 412 ? 0.5797 0.5810 0.5483 0.0029 0.0091 0.0115 414 PRO C CG 7483 C CD . PRO C 412 ? 0.6726 0.6760 0.6455 0.0032 0.0092 0.0115 414 PRO C CD 7484 N N . THR C 413 ? 0.5639 0.5623 0.5284 0.0073 0.0145 0.0096 415 THR C N 7485 C CA . THR C 413 ? 0.5202 0.5196 0.4855 0.0088 0.0167 0.0098 415 THR C CA 7486 C C . THR C 413 ? 0.4600 0.4582 0.4216 0.0096 0.0183 0.0100 415 THR C C 7487 O O . THR C 413 ? 0.5116 0.5078 0.4696 0.0090 0.0176 0.0097 415 THR C O 7488 C CB . THR C 413 ? 0.5175 0.5155 0.4826 0.0096 0.0172 0.0088 415 THR C CB 7489 O OG1 . THR C 413 ? 0.5735 0.5677 0.5338 0.0097 0.0171 0.0077 415 THR C OG1 7490 C CG2 . THR C 413 ? 0.5207 0.5196 0.4891 0.0088 0.0156 0.0086 415 THR C CG2 7491 N N . LEU C 414 ? 0.3824 0.3818 0.3450 0.0109 0.0203 0.0105 416 LEU C N 7492 C CA . LEU C 414 ? 0.4447 0.4431 0.4041 0.0120 0.0222 0.0108 416 LEU C CA 7493 C C . LEU C 414 ? 0.4673 0.4641 0.4253 0.0135 0.0241 0.0101 416 LEU C C 7494 O O . LEU C 414 ? 0.4880 0.4861 0.4492 0.0139 0.0244 0.0102 416 LEU C O 7495 C CB . LEU C 414 ? 0.3924 0.3940 0.3544 0.0122 0.0232 0.0123 416 LEU C CB 7496 C CG . LEU C 414 ? 0.4577 0.4604 0.4201 0.0109 0.0217 0.0130 416 LEU C CG 7497 C CD1 . LEU C 414 ? 0.4443 0.4504 0.4096 0.0112 0.0227 0.0146 416 LEU C CD1 7498 C CD2 . LEU C 414 ? 0.3648 0.3645 0.3220 0.0104 0.0212 0.0124 416 LEU C CD2 7499 N N . PRO C 415 ? 0.3434 0.3374 0.2966 0.0143 0.0253 0.0096 417 PRO C N 7500 C CA . PRO C 415 ? 0.3520 0.3443 0.3037 0.0158 0.0273 0.0091 417 PRO C CA 7501 C C . PRO C 415 ? 0.3600 0.3554 0.3153 0.0171 0.0294 0.0104 417 PRO C C 7502 O O . PRO C 415 ? 0.3606 0.3583 0.3173 0.0171 0.0299 0.0117 417 PRO C O 7503 C CB . PRO C 415 ? 0.3008 0.2895 0.2464 0.0163 0.0281 0.0084 417 PRO C CB 7504 C CG . PRO C 415 ? 0.3274 0.3170 0.2723 0.0154 0.0273 0.0092 417 PRO C CG 7505 C CD . PRO C 415 ? 0.3713 0.3633 0.3202 0.0138 0.0250 0.0096 417 PRO C CD 7506 N N . SER C 416 ? 0.4766 0.4719 0.4333 0.0181 0.0304 0.0101 418 SER C N 7507 C CA . SER C 416 ? 0.5400 0.5381 0.5003 0.0194 0.0324 0.0114 418 SER C CA 7508 C C . SER C 416 ? 0.5195 0.5157 0.4784 0.0209 0.0343 0.0108 418 SER C C 7509 O O . SER C 416 ? 0.5077 0.5004 0.4629 0.0210 0.0340 0.0094 418 SER C O 7510 C CB . SER C 416 ? 0.6150 0.6168 0.5811 0.0186 0.0312 0.0122 418 SER C CB 7511 O OG . SER C 416 ? 0.6269 0.6277 0.5938 0.0180 0.0298 0.0111 418 SER C OG 7512 N N . GLY C 417 ? 0.5079 0.5064 0.4698 0.0221 0.0362 0.0120 419 GLY C N 7513 C CA . GLY C 417 ? 0.4972 0.4941 0.4581 0.0238 0.0383 0.0118 419 GLY C CA 7514 C C . GLY C 417 ? 0.4848 0.4786 0.4404 0.0249 0.0402 0.0114 419 GLY C C 7515 O O . GLY C 417 ? 0.4687 0.4629 0.4228 0.0250 0.0407 0.0122 419 GLY C O 7516 N N . LEU C 418 ? 0.4635 0.4542 0.4162 0.0260 0.0413 0.0103 420 LEU C N 7517 C CA . LEU C 418 ? 0.4249 0.4118 0.3718 0.0271 0.0431 0.0097 420 LEU C CA 7518 C C . LEU C 418 ? 0.4532 0.4372 0.3953 0.0258 0.0413 0.0085 420 LEU C C 7519 O O . LEU C 418 ? 0.4525 0.4352 0.3942 0.0245 0.0390 0.0073 420 LEU C O 7520 C CB . LEU C 418 ? 0.4618 0.4460 0.4070 0.0285 0.0447 0.0088 420 LEU C CB 7521 C CG . LEU C 418 ? 0.4811 0.4609 0.4200 0.0298 0.0466 0.0079 420 LEU C CG 7522 C CD1 . LEU C 418 ? 0.4671 0.4482 0.4060 0.0312 0.0493 0.0095 420 LEU C CD1 7523 C CD2 . LEU C 418 ? 0.4572 0.4340 0.3946 0.0308 0.0476 0.0068 420 LEU C CD2 7524 N N . ILE C 419 ? 0.4147 0.3976 0.3533 0.0262 0.0423 0.0088 421 ILE C N 7525 C CA . ILE C 419 ? 0.4245 0.4056 0.3594 0.0248 0.0404 0.0082 421 ILE C CA 7526 C C . ILE C 419 ? 0.4556 0.4327 0.3839 0.0256 0.0420 0.0076 421 ILE C C 7527 O O . ILE C 419 ? 0.4583 0.4357 0.3859 0.0272 0.0446 0.0085 421 ILE C O 7528 C CB . ILE C 419 ? 0.4520 0.4371 0.3905 0.0237 0.0393 0.0096 421 ILE C CB 7529 C CG1 . ILE C 419 ? 0.4048 0.3923 0.3480 0.0221 0.0368 0.0096 421 ILE C CG1 7530 C CG2 . ILE C 419 ? 0.5269 0.5103 0.4613 0.0228 0.0385 0.0094 421 ILE C CG2 7531 C CD1 . ILE C 419 ? 0.4496 0.4403 0.3956 0.0208 0.0353 0.0106 421 ILE C CD1 7532 N N . ILE C 420 ? 0.3773 0.3506 0.3007 0.0246 0.0403 0.0061 422 ILE C N 7533 C CA . ILE C 420 ? 0.3596 0.3285 0.2761 0.0253 0.0415 0.0054 422 ILE C CA 7534 C C . ILE C 420 ? 0.3914 0.3588 0.3044 0.0236 0.0393 0.0050 422 ILE C C 7535 O O . ILE C 420 ? 0.3401 0.3070 0.2535 0.0219 0.0365 0.0042 422 ILE C O 7536 C CB . ILE C 420 ? 0.4035 0.3679 0.3160 0.0261 0.0421 0.0037 422 ILE C CB 7537 C CG1 . ILE C 420 ? 0.3987 0.3642 0.3139 0.0281 0.0448 0.0042 422 ILE C CG1 7538 C CG2 . ILE C 420 ? 0.3997 0.3589 0.3044 0.0264 0.0427 0.0027 422 ILE C CG2 7539 C CD1 . ILE C 420 ? 0.4442 0.4059 0.3569 0.0287 0.0451 0.0027 422 ILE C CD1 7540 N N . PRO C 421 ? 0.3787 0.3454 0.2884 0.0240 0.0404 0.0056 423 PRO C N 7541 C CA . PRO C 421 ? 0.4112 0.3768 0.3178 0.0223 0.0383 0.0054 423 PRO C CA 7542 C C . PRO C 421 ? 0.4209 0.3808 0.3206 0.0218 0.0373 0.0037 423 PRO C C 7543 O O . PRO C 421 ? 0.3882 0.3445 0.2837 0.0232 0.0392 0.0028 423 PRO C O 7544 C CB . PRO C 421 ? 0.3261 0.2930 0.2318 0.0232 0.0403 0.0068 423 PRO C CB 7545 C CG . PRO C 421 ? 0.4386 0.4045 0.3432 0.0255 0.0437 0.0069 423 PRO C CG 7546 C CD . PRO C 421 ? 0.3969 0.3642 0.3059 0.0259 0.0437 0.0066 423 PRO C CD 7547 N N . GLN C 422 ? 0.4641 0.4232 0.3628 0.0197 0.0344 0.0032 424 GLN C N 7548 C CA . GLN C 422 ? 0.5096 0.4633 0.4018 0.0189 0.0330 0.0016 424 GLN C CA 7549 C C . GLN C 422 ? 0.5502 0.5034 0.4398 0.0172 0.0310 0.0020 424 GLN C C 7550 O O . GLN C 422 ? 0.5058 0.4621 0.3994 0.0157 0.0289 0.0027 424 GLN C O 7551 C CB . GLN C 422 ? 0.4939 0.4465 0.3874 0.0181 0.0309 0.0005 424 GLN C CB 7552 C CG . GLN C 422 ? 0.4782 0.4251 0.3652 0.0173 0.0295 -0.0011 424 GLN C CG 7553 C CD . GLN C 422 ? 0.6172 0.5636 0.5031 0.0150 0.0263 -0.0011 424 GLN C CD 7554 O OE1 . GLN C 422 ? 0.5720 0.5224 0.4630 0.0138 0.0247 -0.0001 424 GLN C OE1 7555 N NE2 . GLN C 422 ? 0.6776 0.6191 0.5567 0.0143 0.0254 -0.0020 424 GLN C NE2 7556 N N . ALA C 423 ? 0.5615 0.5106 0.4444 0.0176 0.0318 0.0014 425 ALA C N 7557 C CA . ALA C 423 ? 0.5797 0.5275 0.4591 0.0159 0.0299 0.0016 425 ALA C CA 7558 C C . ALA C 423 ? 0.5369 0.4785 0.4086 0.0155 0.0291 0.0000 425 ALA C C 7559 O O . ALA C 423 ? 0.6521 0.5902 0.5202 0.0169 0.0308 -0.0010 425 ALA C O 7560 C CB . ALA C 423 ? 0.6364 0.5863 0.5155 0.0166 0.0317 0.0030 425 ALA C CB 7561 N N . GLY C 424 ? 0.6241 0.5639 0.4929 0.0136 0.0264 -0.0001 426 GLY C N 7562 C CA . GLY C 424 ? 0.5881 0.5219 0.4493 0.0129 0.0254 -0.0015 426 GLY C CA 7563 C C . GLY C 424 ? 0.6233 0.5547 0.4846 0.0124 0.0237 -0.0028 426 GLY C C 7564 O O . GLY C 424 ? 0.6706 0.6054 0.5381 0.0122 0.0230 -0.0026 426 GLY C O 7565 N N . THR C 425 ? 0.5797 0.5053 0.4341 0.0121 0.0231 -0.0043 427 THR C N 7566 C CA . THR C 425 ? 0.5874 0.5103 0.4413 0.0114 0.0213 -0.0055 427 THR C CA 7567 C C . THR C 425 ? 0.6065 0.5274 0.4595 0.0134 0.0238 -0.0066 427 THR C C 7568 O O . THR C 425 ? 0.6743 0.5948 0.5295 0.0133 0.0228 -0.0073 427 THR C O 7569 C CB . THR C 425 ? 0.6697 0.5871 0.5168 0.0097 0.0187 -0.0065 427 THR C CB 7570 O OG1 . THR C 425 ? 0.6358 0.5487 0.4753 0.0108 0.0207 -0.0072 427 THR C OG1 7571 C CG2 . THR C 425 ? 0.6041 0.5236 0.4526 0.0074 0.0159 -0.0054 427 THR C CG2 7572 N N . ASP C 426 ? 0.5471 0.4667 0.3968 0.0154 0.0270 -0.0066 428 ASP C N 7573 C CA . ASP C 426 ? 0.6082 0.5250 0.4558 0.0175 0.0296 -0.0076 428 ASP C CA 7574 C C . ASP C 426 ? 0.6657 0.5763 0.5074 0.0168 0.0281 -0.0094 428 ASP C C 7575 O O . ASP C 426 ? 0.7319 0.6406 0.5733 0.0180 0.0292 -0.0104 428 ASP C O 7576 C CB . ASP C 426 ? 0.5585 0.4799 0.4136 0.0186 0.0308 -0.0071 428 ASP C CB 7577 C CG . ASP C 426 ? 0.5457 0.4727 0.4062 0.0196 0.0328 -0.0053 428 ASP C CG 7578 O OD1 . ASP C 426 ? 0.5375 0.4648 0.3957 0.0197 0.0338 -0.0046 428 ASP C OD1 7579 O OD2 . ASP C 426 ? 0.5846 0.5158 0.4516 0.0202 0.0335 -0.0047 428 ASP C OD2 7580 N N . SER C 427 ? 0.8368 0.7442 0.6738 0.0149 0.0254 -0.0098 429 SER C N 7581 C CA . SER C 427 ? 0.9167 0.8182 0.7481 0.0139 0.0234 -0.0115 429 SER C CA 7582 C C . SER C 427 ? 0.9334 0.8301 0.7568 0.0128 0.0224 -0.0119 429 SER C C 7583 O O . SER C 427 ? 0.9291 0.8269 0.7528 0.0108 0.0197 -0.0112 429 SER C O 7584 C CB . SER C 427 ? 1.0243 0.9276 0.8603 0.0120 0.0200 -0.0114 429 SER C CB 7585 O OG . SER C 427 ? 1.1203 1.0183 0.9507 0.0102 0.0172 -0.0125 429 SER C OG 7586 N N . PHE D 9 ? 0.9866 0.9016 0.8353 0.0356 0.0560 -0.0068 9 PHE D N 7587 C CA . PHE D 9 ? 0.9203 0.8314 0.7616 0.0355 0.0564 -0.0071 9 PHE D CA 7588 C C . PHE D 9 ? 0.9183 0.8339 0.7623 0.0357 0.0574 -0.0052 9 PHE D C 7589 O O . PHE D 9 ? 0.9100 0.8241 0.7498 0.0348 0.0566 -0.0051 9 PHE D O 7590 C CB . PHE D 9 ? 0.9608 0.8683 0.7976 0.0331 0.0526 -0.0086 9 PHE D CB 7591 C CG . PHE D 9 ? 1.0000 0.9051 0.8370 0.0323 0.0506 -0.0101 9 PHE D CG 7592 C CD1 . PHE D 9 ? 1.0607 0.9595 0.8913 0.0332 0.0515 -0.0118 9 PHE D CD1 7593 C CD2 . PHE D 9 ? 1.0330 0.9421 0.8764 0.0306 0.0477 -0.0098 9 PHE D CD2 7594 C CE1 . PHE D 9 ? 1.1087 1.0054 0.9396 0.0324 0.0496 -0.0131 9 PHE D CE1 7595 C CE2 . PHE D 9 ? 1.0429 0.9499 0.8866 0.0298 0.0458 -0.0111 9 PHE D CE2 7596 C CZ . PHE D 9 ? 1.1544 1.0554 0.9920 0.0307 0.0467 -0.0127 9 PHE D CZ 7597 N N . GLY D 10 ? 0.7338 0.6550 0.5852 0.0367 0.0590 -0.0035 10 GLY D N 7598 C CA . GLY D 10 ? 0.7004 0.6261 0.5549 0.0372 0.0603 -0.0015 10 GLY D CA 7599 C C . GLY D 10 ? 0.7283 0.6578 0.5859 0.0350 0.0574 -0.0006 10 GLY D C 7600 O O . GLY D 10 ? 0.7994 0.7264 0.6521 0.0337 0.0559 -0.0011 10 GLY D O 7601 N N . LEU D 11 ? 0.5428 0.4782 0.4085 0.0345 0.0566 0.0007 11 LEU D N 7602 C CA . LEU D 11 ? 0.6297 0.5701 0.4999 0.0330 0.0549 0.0022 11 LEU D CA 7603 C C . LEU D 11 ? 0.5993 0.5385 0.4669 0.0306 0.0514 0.0015 11 LEU D C 7604 O O . LEU D 11 ? 0.5598 0.5033 0.4321 0.0291 0.0495 0.0026 11 LEU D O 7605 C CB . LEU D 11 ? 0.6197 0.5622 0.4901 0.0345 0.0577 0.0040 11 LEU D CB 7606 C CG . LEU D 11 ? 0.6024 0.5514 0.4813 0.0351 0.0587 0.0061 11 LEU D CG 7607 C CD1 . LEU D 11 ? 0.5525 0.5031 0.4362 0.0358 0.0591 0.0059 11 LEU D CD1 7608 C CD2 . LEU D 11 ? 0.5103 0.4608 0.3891 0.0371 0.0622 0.0078 11 LEU D CD2 7609 N N . LEU D 12 ? 0.5999 0.5334 0.4600 0.0300 0.0505 -0.0001 12 LEU D N 7610 C CA . LEU D 12 ? 0.4678 0.4000 0.3256 0.0275 0.0470 -0.0007 12 LEU D CA 7611 C C . LEU D 12 ? 0.4480 0.3783 0.3061 0.0263 0.0444 -0.0022 12 LEU D C 7612 O O . LEU D 12 ? 0.4702 0.3991 0.3267 0.0241 0.0412 -0.0028 12 LEU D O 7613 C CB . LEU D 12 ? 0.4704 0.3977 0.3197 0.0275 0.0473 -0.0013 12 LEU D CB 7614 C CG . LEU D 12 ? 0.5402 0.4694 0.3888 0.0281 0.0491 0.0003 12 LEU D CG 7615 C CD1 . LEU D 12 ? 0.5324 0.4558 0.3718 0.0285 0.0500 -0.0006 12 LEU D CD1 7616 C CD2 . LEU D 12 ? 0.5488 0.4827 0.4020 0.0262 0.0466 0.0015 12 LEU D CD2 7617 N N . PHE D 13 ? 0.4193 0.3493 0.2794 0.0276 0.0457 -0.0027 13 PHE D N 7618 C CA . PHE D 13 ? 0.4874 0.4152 0.3475 0.0266 0.0436 -0.0042 13 PHE D CA 7619 C C . PHE D 13 ? 0.5098 0.4419 0.3775 0.0270 0.0438 -0.0036 13 PHE D C 7620 O O . PHE D 13 ? 0.4510 0.3859 0.3222 0.0288 0.0465 -0.0026 13 PHE D O 7621 C CB . PHE D 13 ? 0.4802 0.4014 0.3329 0.0277 0.0449 -0.0059 13 PHE D CB 7622 C CG . PHE D 13 ? 0.5038 0.4199 0.3484 0.0268 0.0440 -0.0067 13 PHE D CG 7623 C CD1 . PHE D 13 ? 0.5221 0.4368 0.3624 0.0281 0.0465 -0.0062 13 PHE D CD1 7624 C CD2 . PHE D 13 ? 0.5424 0.4550 0.3834 0.0248 0.0407 -0.0080 13 PHE D CD2 7625 C CE1 . PHE D 13 ? 0.4862 0.3961 0.3187 0.0273 0.0457 -0.0070 13 PHE D CE1 7626 C CE2 . PHE D 13 ? 0.4844 0.3922 0.3178 0.0239 0.0398 -0.0088 13 PHE D CE2 7627 C CZ . PHE D 13 ? 0.5078 0.4142 0.3368 0.0252 0.0423 -0.0083 13 PHE D CZ 7628 N N . VAL D 14 ? 0.5702 0.5028 0.4405 0.0254 0.0408 -0.0043 14 VAL D N 7629 C CA . VAL D 14 ? 0.4865 0.4224 0.3633 0.0257 0.0408 -0.0040 14 VAL D CA 7630 C C . VAL D 14 ? 0.5631 0.4950 0.4375 0.0254 0.0395 -0.0058 14 VAL D C 7631 O O . VAL D 14 ? 0.6100 0.5391 0.4812 0.0237 0.0368 -0.0067 14 VAL D O 7632 C CB . VAL D 14 ? 0.5202 0.4617 0.4039 0.0241 0.0385 -0.0029 14 VAL D CB 7633 C CG1 . VAL D 14 ? 0.4876 0.4321 0.3776 0.0244 0.0383 -0.0027 14 VAL D CG1 7634 C CG2 . VAL D 14 ? 0.4752 0.4207 0.3616 0.0246 0.0399 -0.0011 14 VAL D CG2 7635 N N . GLY D 15 ? 0.4898 0.4215 0.3658 0.0270 0.0415 -0.0061 15 GLY D N 7636 C CA . GLY D 15 ? 0.5704 0.4981 0.4440 0.0269 0.0406 -0.0077 15 GLY D CA 7637 C C . GLY D 15 ? 0.6423 0.5732 0.5224 0.0264 0.0392 -0.0076 15 GLY D C 7638 O O . GLY D 15 ? 0.6424 0.5786 0.5290 0.0266 0.0397 -0.0062 15 GLY D O 7639 N N . PHE D 16 ? 0.8500 0.7776 0.7283 0.0257 0.0376 -0.0090 16 PHE D N 7640 C CA . PHE D 16 ? 0.8562 0.7862 0.7400 0.0252 0.0362 -0.0091 16 PHE D CA 7641 C C . PHE D 16 ? 0.8723 0.8004 0.7559 0.0269 0.0382 -0.0098 16 PHE D C 7642 O O . PHE D 16 ? 0.8848 0.8079 0.7625 0.0280 0.0396 -0.0109 16 PHE D O 7643 C CB . PHE D 16 ? 0.9005 0.8289 0.7834 0.0230 0.0325 -0.0099 16 PHE D CB 7644 C CG . PHE D 16 ? 1.0184 0.9483 0.9011 0.0212 0.0303 -0.0093 16 PHE D CG 7645 C CD1 . PHE D 16 ? 1.0093 0.9439 0.8981 0.0198 0.0283 -0.0083 16 PHE D CD1 7646 C CD2 . PHE D 16 ? 1.0033 0.9296 0.8796 0.0207 0.0301 -0.0096 16 PHE D CD2 7647 C CE1 . PHE D 16 ? 1.0481 0.9839 0.9368 0.0182 0.0263 -0.0076 16 PHE D CE1 7648 C CE2 . PHE D 16 ? 0.9835 0.9110 0.8597 0.0190 0.0280 -0.0090 16 PHE D CE2 7649 C CZ . PHE D 16 ? 1.0503 0.9827 0.9328 0.0178 0.0261 -0.0079 16 PHE D CZ 7650 N N . VAL D 17 ? 0.7948 0.7266 0.6847 0.0272 0.0383 -0.0092 17 VAL D N 7651 C CA . VAL D 17 ? 0.7646 0.6950 0.6552 0.0286 0.0398 -0.0099 17 VAL D CA 7652 C C . VAL D 17 ? 0.8162 0.7489 0.7120 0.0276 0.0376 -0.0100 17 VAL D C 7653 O O . VAL D 17 ? 0.7402 0.6774 0.6412 0.0265 0.0361 -0.0090 17 VAL D O 7654 C CB . VAL D 17 ? 0.7645 0.6973 0.6578 0.0309 0.0434 -0.0087 17 VAL D CB 7655 C CG1 . VAL D 17 ? 0.7161 0.6457 0.6036 0.0323 0.0460 -0.0088 17 VAL D CG1 7656 C CG2 . VAL D 17 ? 0.7219 0.6612 0.6222 0.0305 0.0433 -0.0069 17 VAL D CG2 7657 N N . ALA D 18 ? 1.0604 0.9898 0.9545 0.0279 0.0374 -0.0112 18 ALA D N 7658 C CA . ALA D 18 ? 0.9750 0.9058 0.8732 0.0268 0.0351 -0.0115 18 ALA D CA 7659 C C . ALA D 18 ? 0.9873 0.9218 0.8915 0.0281 0.0368 -0.0107 18 ALA D C 7660 O O . ALA D 18 ? 1.0230 0.9575 0.9272 0.0300 0.0398 -0.0103 18 ALA D O 7661 C CB . ALA D 18 ? 1.0107 0.9360 0.9040 0.0263 0.0337 -0.0132 18 ALA D CB 7662 N N . GLY D 19 ? 0.8215 0.7591 0.7309 0.0270 0.0348 -0.0104 19 GLY D N 7663 C CA . GLY D 19 ? 0.8625 0.8033 0.7776 0.0279 0.0358 -0.0098 19 GLY D CA 7664 C C . GLY D 19 ? 0.8754 0.8200 0.7941 0.0294 0.0386 -0.0083 19 GLY D C 7665 O O . GLY D 19 ? 0.8776 0.8265 0.8003 0.0289 0.0384 -0.0070 19 GLY D O 7666 N N . GLY D 20 ? 0.9420 0.8848 0.8595 0.0314 0.0414 -0.0085 20 GLY D N 7667 C CA . GLY D 20 ? 0.9041 0.8499 0.8245 0.0330 0.0443 -0.0070 20 GLY D CA 7668 C C . GLY D 20 ? 0.8849 0.8299 0.8016 0.0334 0.0457 -0.0066 20 GLY D C 7669 O O . GLY D 20 ? 0.9360 0.8806 0.8506 0.0320 0.0437 -0.0068 20 GLY D O 7670 N N . VAL D 21 ? 0.9031 0.8480 0.8192 0.0354 0.0489 -0.0058 21 VAL D N 7671 C CA . VAL D 21 ? 0.9075 0.8516 0.8201 0.0361 0.0507 -0.0053 21 VAL D CA 7672 C C . VAL D 21 ? 0.8876 0.8365 0.8039 0.0350 0.0497 -0.0038 21 VAL D C 7673 O O . VAL D 21 ? 0.8121 0.7613 0.7280 0.0332 0.0469 -0.0042 21 VAL D O 7674 C CB . VAL D 21 ? 0.8695 0.8078 0.7742 0.0356 0.0499 -0.0070 21 VAL D CB 7675 C CG1 . VAL D 21 ? 0.8255 0.7630 0.7266 0.0363 0.0517 -0.0063 21 VAL D CG1 7676 C CG2 . VAL D 21 ? 0.9686 0.9018 0.8692 0.0366 0.0509 -0.0085 21 VAL D CG2 7677 N N . ALA D 22 ? 0.7753 0.7277 0.6952 0.0363 0.0520 -0.0021 22 ALA D N 7678 C CA . ALA D 22 ? 0.6736 0.6307 0.5974 0.0354 0.0512 -0.0006 22 ALA D CA 7679 C C . ALA D 22 ? 0.6869 0.6424 0.6061 0.0346 0.0505 -0.0008 22 ALA D C 7680 O O . ALA D 22 ? 0.6693 0.6203 0.5823 0.0352 0.0515 -0.0018 22 ALA D O 7681 C CB . ALA D 22 ? 0.5769 0.5377 0.5050 0.0370 0.0540 0.0014 22 ALA D CB 7682 N N . GLY D 23 ? 0.5750 0.5341 0.4973 0.0332 0.0488 0.0001 23 GLY D N 7683 C CA . GLY D 23 ? 0.5602 0.5184 0.4789 0.0324 0.0481 0.0001 23 GLY D CA 7684 C C . GLY D 23 ? 0.5416 0.5032 0.4625 0.0332 0.0500 0.0020 23 GLY D C 7685 O O . GLY D 23 ? 0.4247 0.3903 0.3511 0.0339 0.0512 0.0034 23 GLY D O 7686 N N . GLY D 24 ? 0.5468 0.5068 0.4634 0.0332 0.0504 0.0020 24 GLY D N 7687 C CA . GLY D 24 ? 0.5031 0.4662 0.4216 0.0338 0.0521 0.0039 24 GLY D CA 7688 C C . GLY D 24 ? 0.4779 0.4378 0.3905 0.0352 0.0544 0.0038 24 GLY D C 7689 O O . GLY D 24 ? 0.5328 0.4883 0.4393 0.0346 0.0536 0.0024 24 GLY D O 7690 N N . TYR D 25 ? 0.5196 0.4816 0.4341 0.0369 0.0573 0.0054 25 TYR D N 7691 C CA . TYR D 25 ? 0.5966 0.5559 0.5060 0.0383 0.0599 0.0057 25 TYR D CA 7692 C C . TYR D 25 ? 0.6273 0.5846 0.5356 0.0407 0.0632 0.0057 25 TYR D C 7693 O O . TYR D 25 ? 0.6166 0.5772 0.5303 0.0417 0.0647 0.0070 25 TYR D O 7694 C CB . TYR D 25 ? 0.5887 0.5521 0.5009 0.0384 0.0607 0.0077 25 TYR D CB 7695 C CG . TYR D 25 ? 0.5493 0.5147 0.4625 0.0362 0.0576 0.0078 25 TYR D CG 7696 C CD1 . TYR D 25 ? 0.5041 0.4669 0.4119 0.0354 0.0568 0.0072 25 TYR D CD1 7697 C CD2 . TYR D 25 ? 0.4921 0.4620 0.4118 0.0348 0.0555 0.0085 25 TYR D CD2 7698 C CE1 . TYR D 25 ? 0.4315 0.3962 0.3404 0.0334 0.0541 0.0073 25 TYR D CE1 7699 C CE2 . TYR D 25 ? 0.4608 0.4325 0.3815 0.0328 0.0528 0.0086 25 TYR D CE2 7700 C CZ . TYR D 25 ? 0.4030 0.3721 0.3184 0.0321 0.0521 0.0080 25 TYR D CZ 7701 O OH . TYR D 25 ? 0.3621 0.3331 0.2788 0.0301 0.0494 0.0082 25 TYR D OH 7702 N N . PHE D 26 ? 0.6114 0.5631 0.5125 0.0415 0.0645 0.0043 26 PHE D N 7703 C CA . PHE D 26 ? 0.7062 0.6551 0.6054 0.0438 0.0675 0.0040 26 PHE D CA 7704 C C . PHE D 26 ? 0.6907 0.6357 0.5833 0.0454 0.0703 0.0039 26 PHE D C 7705 O O . PHE D 26 ? 0.6659 0.6105 0.5556 0.0447 0.0698 0.0041 26 PHE D O 7706 C CB . PHE D 26 ? 0.6403 0.5855 0.5373 0.0433 0.0661 0.0019 26 PHE D CB 7707 C CG . PHE D 26 ? 0.6447 0.5932 0.5474 0.0416 0.0631 0.0018 26 PHE D CG 7708 C CD1 . PHE D 26 ? 0.6667 0.6186 0.5756 0.0423 0.0640 0.0028 26 PHE D CD1 7709 C CD2 . PHE D 26 ? 0.6628 0.6110 0.5646 0.0392 0.0596 0.0008 26 PHE D CD2 7710 C CE1 . PHE D 26 ? 0.6096 0.5644 0.5235 0.0407 0.0613 0.0027 26 PHE D CE1 7711 C CE2 . PHE D 26 ? 0.6246 0.5759 0.5317 0.0377 0.0570 0.0008 26 PHE D CE2 7712 C CZ . PHE D 26 ? 0.5944 0.5489 0.5074 0.0385 0.0579 0.0017 26 PHE D CZ 7713 N N . TRP D 27 ? 0.7504 0.6923 0.6406 0.0475 0.0733 0.0036 27 TRP D N 7714 C CA . TRP D 27 ? 0.6915 0.6291 0.5750 0.0492 0.0762 0.0033 27 TRP D CA 7715 C C . TRP D 27 ? 0.7659 0.6965 0.6419 0.0494 0.0760 0.0009 27 TRP D C 7716 O O . TRP D 27 ? 0.8312 0.7603 0.7080 0.0500 0.0763 0.0000 27 TRP D O 7717 C CB . TRP D 27 ? 0.6739 0.6134 0.5602 0.0519 0.0803 0.0052 27 TRP D CB 7718 C CG . TRP D 27 ? 0.6553 0.5996 0.5455 0.0522 0.0814 0.0076 27 TRP D CG 7719 C CD1 . TRP D 27 ? 0.7004 0.6508 0.5987 0.0525 0.0819 0.0099 27 TRP D CD1 7720 C CD2 . TRP D 27 ? 0.6975 0.6411 0.5838 0.0522 0.0820 0.0081 27 TRP D CD2 7721 N NE1 . TRP D 27 ? 0.7290 0.6824 0.6287 0.0527 0.0828 0.0117 27 TRP D NE1 7722 C CE2 . TRP D 27 ? 0.6904 0.6399 0.5829 0.0525 0.0829 0.0107 27 TRP D CE2 7723 C CE3 . TRP D 27 ? 0.7221 0.6606 0.6002 0.0519 0.0817 0.0067 27 TRP D CE3 7724 C CZ2 . TRP D 27 ? 0.7083 0.6588 0.5992 0.0526 0.0836 0.0119 27 TRP D CZ2 7725 C CZ3 . TRP D 27 ? 0.6840 0.6236 0.5605 0.0520 0.0825 0.0079 27 TRP D CZ3 7726 C CH2 . TRP D 27 ? 0.6983 0.6438 0.5811 0.0524 0.0835 0.0104 27 TRP D CH2 7727 N N . GLY D 28 ? 0.8084 0.7347 0.6770 0.0489 0.0755 -0.0003 28 GLY D N 7728 C CA . GLY D 28 ? 0.8370 0.7563 0.6980 0.0489 0.0752 -0.0026 28 GLY D CA 7729 C C . GLY D 28 ? 0.9213 0.8359 0.7752 0.0509 0.0786 -0.0028 28 GLY D C 7730 O O . GLY D 28 ? 0.8668 0.7822 0.7189 0.0512 0.0796 -0.0018 28 GLY D O 7731 N N . ARG D 29 ? 0.9184 0.8279 0.7679 0.0524 0.0804 -0.0041 29 ARG D N 7732 C CA . ARG D 29 ? 0.9709 0.8757 0.8137 0.0546 0.0840 -0.0043 29 ARG D CA 7733 C C . ARG D 29 ? 1.1285 1.0253 0.9617 0.0542 0.0831 -0.0069 29 ARG D C 7734 O O . ARG D 29 ? 1.1553 1.0508 0.9869 0.0518 0.0793 -0.0083 29 ARG D O 7735 C CB . ARG D 29 ? 0.9266 0.8325 0.7727 0.0574 0.0880 -0.0031 29 ARG D CB 7736 C CG . ARG D 29 ? 0.8863 0.8001 0.7420 0.0577 0.0887 -0.0005 29 ARG D CG 7737 C CD . ARG D 29 ? 0.8522 0.7675 0.7111 0.0606 0.0931 0.0013 29 ARG D CD 7738 N NE . ARG D 29 ? 0.9539 0.8648 0.8066 0.0625 0.0962 0.0012 29 ARG D NE 7739 C CZ . ARG D 29 ? 0.9365 0.8492 0.7926 0.0645 0.0992 0.0031 29 ARG D CZ 7740 N NH1 . ARG D 29 ? 0.8594 0.7775 0.7237 0.0653 0.1003 0.0051 29 ARG D NH1 7741 N NH2 . ARG D 29 ? 0.8957 0.8045 0.7469 0.0656 0.1009 0.0030 29 ARG D NH2 7742 N N . SER D 30 ? 1.4481 1.3396 1.2750 0.0564 0.0864 -0.0076 30 SER D N 7743 C CA . SER D 30 ? 1.5001 1.3842 1.3168 0.0558 0.0856 -0.0097 30 SER D CA 7744 C C . SER D 30 ? 1.6439 1.5213 1.4549 0.0569 0.0869 -0.0113 30 SER D C 7745 O O . SER D 30 ? 1.6591 1.5347 1.4708 0.0571 0.0864 -0.0125 30 SER D O 7746 C CB . SER D 30 ? 1.4302 1.3144 1.2437 0.0561 0.0868 -0.0086 30 SER D CB 7747 O OG . SER D 30 ? 1.4879 1.3667 1.2933 0.0545 0.0845 -0.0104 30 SER D OG 7748 N N . ASN D 31 ? 1.6186 1.4925 1.4244 0.0576 0.0882 -0.0113 31 ASN D N 7749 C CA . ASN D 31 ? 1.6690 1.5357 1.4678 0.0580 0.0884 -0.0131 31 ASN D CA 7750 C C . ASN D 31 ? 1.7255 1.5915 1.5268 0.0602 0.0913 -0.0127 31 ASN D C 7751 O O . ASN D 31 ? 1.6992 1.5667 1.5048 0.0605 0.0912 -0.0130 31 ASN D O 7752 C CB . ASN D 31 ? 1.6562 1.5196 1.4486 0.0580 0.0890 -0.0131 31 ASN D CB 7753 C CG . ASN D 31 ? 1.6352 1.5014 1.4273 0.0564 0.0871 -0.0125 31 ASN D CG 7754 O OD1 . ASN D 31 ? 1.6249 1.4931 1.4172 0.0570 0.0887 -0.0110 31 ASN D OD1 7755 N ND2 . ASN D 31 ? 1.5857 1.4519 1.3770 0.0541 0.0837 -0.0136 31 ASN D ND2 7756 N N . GLY D 32 ? 1.8542 1.7178 1.6528 0.0619 0.0940 -0.0122 32 GLY D N 7757 C CA . GLY D 32 ? 1.8907 1.7535 1.6914 0.0641 0.0970 -0.0116 32 GLY D CA 7758 C C . GLY D 32 ? 2.0045 1.8597 1.7973 0.0647 0.0977 -0.0132 32 GLY D C 7759 O O . GLY D 32 ? 2.0130 1.8663 1.8023 0.0657 0.0995 -0.0126 32 GLY D O 7760 N N . GLY D 33 ? 2.0211 1.8721 1.8113 0.0641 0.0962 -0.0151 33 GLY D N 7761 C CA . GLY D 33 ? 2.0061 1.8500 1.7896 0.0648 0.0970 -0.0166 33 GLY D CA 7762 C C . GLY D 33 ? 1.9963 1.8340 1.7708 0.0630 0.0944 -0.0187 33 GLY D C 7763 O O . GLY D 33 ? 1.9740 1.8060 1.7424 0.0637 0.0954 -0.0195 33 GLY D O 7764 N N . GLY D 34 ? 1.9973 1.8360 1.7711 0.0607 0.0910 -0.0194 34 GLY D N 7765 C CA . GLY D 34 ? 1.9952 1.8283 1.7609 0.0587 0.0881 -0.0213 34 GLY D CA 7766 C C . GLY D 34 ? 2.0438 1.8713 1.8056 0.0579 0.0862 -0.0235 34 GLY D C 7767 O O . GLY D 34 ? 2.0030 1.8251 1.7601 0.0589 0.0875 -0.0243 34 GLY D O 7768 N N . GLY D 35 ? 2.0773 1.9059 1.8410 0.0560 0.0831 -0.0244 35 GLY D N 7769 C CA . GLY D 35 ? 2.0231 1.8579 1.7920 0.0549 0.0817 -0.0234 35 GLY D CA 7770 C C . GLY D 35 ? 1.9663 1.8066 1.7437 0.0558 0.0827 -0.0224 35 GLY D C 7771 O O . GLY D 35 ? 1.9439 1.7824 1.7223 0.0562 0.0825 -0.0233 35 GLY D O 7772 N N . GLY D 36 ? 1.8814 1.7284 1.6650 0.0562 0.0837 -0.0205 36 GLY D N 7773 C CA . GLY D 36 ? 1.7947 1.6474 1.5867 0.0571 0.0847 -0.0193 36 GLY D CA 7774 C C . GLY D 36 ? 1.7651 1.6188 1.5590 0.0552 0.0814 -0.0204 36 GLY D C 7775 O O . GLY D 36 ? 1.7088 1.5574 1.4975 0.0537 0.0788 -0.0224 36 GLY D O 7776 N N . ALA D 37 ? 1.8955 1.7557 1.6968 0.0553 0.0816 -0.0191 37 ALA D N 7777 C CA . ALA D 37 ? 1.8688 1.7313 1.6741 0.0532 0.0781 -0.0196 37 ALA D CA 7778 C C . ALA D 37 ? 1.8157 1.6866 1.6297 0.0522 0.0768 -0.0175 37 ALA D C 7779 O O . ALA D 37 ? 1.8206 1.6947 1.6391 0.0500 0.0732 -0.0176 37 ALA D O 7780 C CB . ALA D 37 ? 1.8188 1.6807 1.6272 0.0542 0.0787 -0.0202 37 ALA D CB 7781 N N . SER D 38 ? 1.8039 1.6781 1.6201 0.0538 0.0799 -0.0157 38 SER D N 7782 C CA . SER D 38 ? 1.7114 1.5932 1.5350 0.0531 0.0792 -0.0135 38 SER D CA 7783 C C . SER D 38 ? 1.6851 1.5733 1.5186 0.0528 0.0785 -0.0123 38 SER D C 7784 O O . SER D 38 ? 1.7536 1.6409 1.5889 0.0529 0.0780 -0.0132 38 SER D O 7785 C CB . SER D 38 ? 1.7266 1.6087 1.5482 0.0504 0.0754 -0.0140 38 SER D CB 7786 O OG . SER D 38 ? 1.7699 1.6470 1.5830 0.0506 0.0763 -0.0147 38 SER D OG 7787 N N . VAL D 39 ? 1.3237 1.2185 1.1635 0.0525 0.0785 -0.0103 39 VAL D N 7788 C CA . VAL D 39 ? 1.2054 1.1068 1.0548 0.0528 0.0787 -0.0086 39 VAL D CA 7789 C C . VAL D 39 ? 1.1053 1.0128 0.9606 0.0506 0.0757 -0.0074 39 VAL D C 7790 O O . VAL D 39 ? 1.0723 0.9805 0.9256 0.0498 0.0750 -0.0070 39 VAL D O 7791 C CB . VAL D 39 ? 1.1609 1.0648 1.0133 0.0556 0.0833 -0.0066 39 VAL D CB 7792 C CG1 . VAL D 39 ? 1.0979 1.0073 0.9593 0.0560 0.0836 -0.0051 39 VAL D CG1 7793 C CG2 . VAL D 39 ? 1.1410 1.0386 0.9865 0.0580 0.0868 -0.0075 39 VAL D CG2 7794 N N . SER D 40 ? 1.0830 0.9949 0.9454 0.0498 0.0741 -0.0069 40 SER D N 7795 C CA . SER D 40 ? 1.0375 0.9560 0.9068 0.0484 0.0723 -0.0053 40 SER D CA 7796 C C . SER D 40 ? 1.0037 0.9272 0.8810 0.0495 0.0738 -0.0037 40 SER D C 7797 O O . SER D 40 ? 0.9739 0.8971 0.8535 0.0495 0.0732 -0.0043 40 SER D O 7798 C CB . SER D 40 ? 0.9516 0.8707 0.8217 0.0456 0.0678 -0.0063 40 SER D CB 7799 O OG . SER D 40 ? 0.8825 0.8080 0.7598 0.0444 0.0663 -0.0047 40 SER D OG 7800 N N . SER D 41 ? 1.0515 0.9795 0.9330 0.0505 0.0758 -0.0015 41 SER D N 7801 C CA . SER D 41 ? 1.0649 0.9980 0.9543 0.0514 0.0770 0.0003 41 SER D CA 7802 C C . SER D 41 ? 1.0678 1.0052 0.9632 0.0491 0.0734 0.0004 41 SER D C 7803 O O . SER D 41 ? 1.1360 1.0714 1.0293 0.0472 0.0703 -0.0013 41 SER D O 7804 C CB . SER D 41 ? 0.9941 0.9312 0.8867 0.0527 0.0797 0.0028 41 SER D CB 7805 O OG . SER D 41 ? 1.0495 0.9912 0.9458 0.0510 0.0774 0.0038 41 SER D OG 7806 N N . THR D 42 ? 1.2061 1.1492 1.1089 0.0494 0.0739 0.0024 42 THR D N 7807 C CA . THR D 42 ? 1.3025 1.2503 1.2111 0.0473 0.0708 0.0029 42 THR D CA 7808 C C . THR D 42 ? 1.3265 1.2797 1.2405 0.0480 0.0724 0.0055 42 THR D C 7809 O O . THR D 42 ? 1.2902 1.2434 1.2044 0.0501 0.0758 0.0067 42 THR D O 7810 C CB . THR D 42 ? 1.2705 1.2192 1.1830 0.0467 0.0693 0.0023 42 THR D CB 7811 O OG1 . THR D 42 ? 1.3054 1.2484 1.2124 0.0471 0.0693 0.0002 42 THR D OG1 7812 C CG2 . THR D 42 ? 1.1405 1.0923 1.0566 0.0443 0.0655 0.0021 42 THR D CG2 7813 N N . GLN D 43 ? 1.3245 1.2822 1.2430 0.0462 0.0700 0.0063 43 GLN D N 7814 C CA . GLN D 43 ? 1.3361 1.2991 1.2599 0.0465 0.0709 0.0088 43 GLN D CA 7815 C C . GLN D 43 ? 1.3713 1.3339 1.2925 0.0481 0.0739 0.0101 43 GLN D C 7816 O O . GLN D 43 ? 1.3775 1.3359 1.2935 0.0498 0.0764 0.0095 43 GLN D O 7817 C CB . GLN D 43 ? 1.4482 1.4152 1.3791 0.0472 0.0717 0.0103 43 GLN D CB 7818 C CG . GLN D 43 ? 1.4023 1.3694 1.3356 0.0460 0.0693 0.0091 43 GLN D CG 7819 C CD . GLN D 43 ? 1.4269 1.3902 1.3580 0.0474 0.0709 0.0079 43 GLN D CD 7820 O OE1 . GLN D 43 ? 1.4176 1.3791 1.3468 0.0495 0.0741 0.0084 43 GLN D OE1 7821 N NE2 . GLN D 43 ? 1.4591 1.4215 1.3909 0.0462 0.0686 0.0065 43 GLN D NE2 7822 N N . ALA D 44 ? 1.2943 1.2611 1.2190 0.0475 0.0735 0.0118 44 ALA D N 7823 C CA . ALA D 44 ? 1.2858 1.2532 1.2094 0.0491 0.0763 0.0135 44 ALA D CA 7824 C C . ALA D 44 ? 1.2833 1.2570 1.2139 0.0487 0.0761 0.0160 44 ALA D C 7825 O O . ALA D 44 ? 1.2860 1.2631 1.2213 0.0469 0.0734 0.0162 44 ALA D O 7826 C CB . ALA D 44 ? 1.2052 1.1690 1.1218 0.0486 0.0759 0.0123 44 ALA D CB 7827 N N . GLY D 45 ? 1.2091 1.1842 1.1403 0.0503 0.0790 0.0180 45 GLY D N 7828 C CA . GLY D 45 ? 1.1469 1.1277 1.0847 0.0501 0.0791 0.0205 45 GLY D CA 7829 C C . GLY D 45 ? 1.1097 1.0922 1.0469 0.0485 0.0771 0.0208 45 GLY D C 7830 O O . GLY D 45 ? 1.1281 1.1138 1.0679 0.0490 0.0783 0.0230 45 GLY D O 7831 N N . PHE D 46 ? 0.9269 0.9074 0.8610 0.0466 0.0741 0.0188 46 PHE D N 7832 C CA . PHE D 46 ? 0.8812 0.8629 0.8144 0.0450 0.0722 0.0190 46 PHE D CA 7833 C C . PHE D 46 ? 0.8286 0.8157 0.7686 0.0434 0.0698 0.0203 46 PHE D C 7834 O O . PHE D 46 ? 0.7406 0.7279 0.6806 0.0413 0.0667 0.0192 46 PHE D O 7835 C CB . PHE D 46 ? 0.8356 0.8130 0.7627 0.0436 0.0699 0.0164 46 PHE D CB 7836 C CG . PHE D 46 ? 0.8913 0.8631 0.8109 0.0449 0.0718 0.0150 46 PHE D CG 7837 C CD1 . PHE D 46 ? 0.8957 0.8667 0.8133 0.0470 0.0753 0.0163 46 PHE D CD1 7838 C CD2 . PHE D 46 ? 0.8964 0.8635 0.8109 0.0441 0.0703 0.0126 46 PHE D CD2 7839 C CE1 . PHE D 46 ? 0.9486 0.9140 0.8588 0.0483 0.0772 0.0149 46 PHE D CE1 7840 C CE2 . PHE D 46 ? 0.9264 0.8879 0.8337 0.0453 0.0720 0.0112 46 PHE D CE2 7841 C CZ . PHE D 46 ? 0.9310 0.8917 0.8360 0.0474 0.0755 0.0124 46 PHE D CZ 7842 N N . ASP D 47 ? 0.9425 0.9338 0.8884 0.0442 0.0712 0.0226 47 ASP D N 7843 C CA . ASP D 47 ? 0.9796 0.9759 0.9319 0.0427 0.0690 0.0239 47 ASP D CA 7844 C C . ASP D 47 ? 0.9484 0.9464 0.9005 0.0415 0.0678 0.0246 47 ASP D C 7845 O O . ASP D 47 ? 0.9128 0.9143 0.8693 0.0400 0.0656 0.0254 47 ASP D O 7846 C CB . ASP D 47 ? 1.0762 1.0763 1.0348 0.0439 0.0708 0.0263 47 ASP D CB 7847 C CG . ASP D 47 ? 1.0660 1.0679 1.0253 0.0454 0.0736 0.0286 47 ASP D CG 7848 O OD1 . ASP D 47 ? 1.1225 1.1211 1.0766 0.0469 0.0760 0.0282 47 ASP D OD1 7849 O OD2 . ASP D 47 ? 1.1611 1.1675 1.1260 0.0450 0.0733 0.0308 47 ASP D OD2 7850 N N . LYS D 48 ? 0.6793 0.6747 0.6261 0.0423 0.0693 0.0244 48 LYS D N 7851 C CA . LYS D 48 ? 0.6235 0.6197 0.5689 0.0411 0.0680 0.0248 48 LYS D CA 7852 C C . LYS D 48 ? 0.6190 0.6142 0.5630 0.0388 0.0644 0.0228 48 LYS D C 7853 O O . LYS D 48 ? 0.5782 0.5761 0.5248 0.0372 0.0622 0.0234 48 LYS D O 7854 C CB . LYS D 48 ? 0.5392 0.5323 0.4784 0.0424 0.0702 0.0246 48 LYS D CB 7855 C CG . LYS D 48 ? 0.5873 0.5813 0.5251 0.0412 0.0689 0.0250 48 LYS D CG 7856 C CD . LYS D 48 ? 0.5889 0.5785 0.5190 0.0418 0.0701 0.0240 48 LYS D CD 7857 C CE . LYS D 48 ? 0.6039 0.5950 0.5334 0.0410 0.0695 0.0251 48 LYS D CE 7858 N NZ . LYS D 48 ? 0.5620 0.5555 0.4943 0.0385 0.0658 0.0247 48 LYS D NZ 7859 N N . ILE D 49 ? 0.6569 0.6480 0.5968 0.0387 0.0637 0.0206 49 ILE D N 7860 C CA . ILE D 49 ? 0.5859 0.5755 0.5242 0.0366 0.0604 0.0187 49 ILE D CA 7861 C C . ILE D 49 ? 0.6370 0.6306 0.5818 0.0352 0.0581 0.0192 49 ILE D C 7862 O O . ILE D 49 ? 0.5606 0.5555 0.5065 0.0333 0.0555 0.0190 49 ILE D O 7863 C CB . ILE D 49 ? 0.5938 0.5784 0.5270 0.0368 0.0603 0.0164 49 ILE D CB 7864 C CG1 . ILE D 49 ? 0.5722 0.5525 0.4985 0.0382 0.0626 0.0159 49 ILE D CG1 7865 C CG2 . ILE D 49 ? 0.6040 0.5874 0.5360 0.0346 0.0568 0.0147 49 ILE D CG2 7866 C CD1 . ILE D 49 ? 0.6751 0.6501 0.5958 0.0384 0.0624 0.0135 49 ILE D CD1 7867 N N . GLY D 50 ? 0.4975 0.4927 0.4463 0.0361 0.0592 0.0199 50 GLY D N 7868 C CA . GLY D 50 ? 0.4021 0.4007 0.3569 0.0349 0.0572 0.0203 50 GLY D CA 7869 C C . GLY D 50 ? 0.4293 0.4322 0.3884 0.0338 0.0561 0.0220 50 GLY D C 7870 O O . GLY D 50 ? 0.4540 0.4584 0.4153 0.0320 0.0533 0.0216 50 GLY D O 7871 N N . LYS D 51 ? 0.4950 0.4999 0.4554 0.0350 0.0582 0.0240 51 LYS D N 7872 C CA . LYS D 51 ? 0.5318 0.5408 0.4963 0.0341 0.0573 0.0258 51 LYS D CA 7873 C C . LYS D 51 ? 0.5354 0.5435 0.4968 0.0326 0.0553 0.0250 51 LYS D C 7874 O O . LYS D 51 ? 0.5744 0.5851 0.5391 0.0310 0.0532 0.0255 51 LYS D O 7875 C CB . LYS D 51 ? 0.5361 0.5470 0.5022 0.0358 0.0602 0.0282 51 LYS D CB 7876 C CG . LYS D 51 ? 0.6407 0.6533 0.6107 0.0373 0.0622 0.0294 51 LYS D CG 7877 C CD . LYS D 51 ? 0.7148 0.7288 0.6858 0.0392 0.0653 0.0317 51 LYS D CD 7878 C CE . LYS D 51 ? 0.7117 0.7283 0.6880 0.0403 0.0669 0.0334 51 LYS D CE 7879 N NZ . LYS D 51 ? 0.7266 0.7472 0.7093 0.0389 0.0646 0.0345 51 LYS D NZ 7880 N N . ASP D 52 ? 0.4419 0.4461 0.3971 0.0330 0.0561 0.0237 52 ASP D N 7881 C CA . ASP D 52 ? 0.4129 0.4158 0.3647 0.0316 0.0542 0.0229 52 ASP D CA 7882 C C . ASP D 52 ? 0.4454 0.4479 0.3980 0.0296 0.0509 0.0214 52 ASP D C 7883 O O . ASP D 52 ? 0.4609 0.4652 0.4150 0.0280 0.0488 0.0216 52 ASP D O 7884 C CB . ASP D 52 ? 0.4560 0.4543 0.4006 0.0325 0.0556 0.0217 52 ASP D CB 7885 C CG . ASP D 52 ? 0.5323 0.5310 0.4757 0.0341 0.0585 0.0233 52 ASP D CG 7886 O OD1 . ASP D 52 ? 0.4610 0.4638 0.4092 0.0345 0.0592 0.0255 52 ASP D OD1 7887 O OD2 . ASP D 52 ? 0.5147 0.5096 0.4521 0.0352 0.0601 0.0225 52 ASP D OD2 7888 N N . ILE D 53 ? 0.4214 0.4217 0.3731 0.0297 0.0505 0.0198 53 ILE D N 7889 C CA . ILE D 53 ? 0.4055 0.4054 0.3579 0.0279 0.0476 0.0184 53 ILE D CA 7890 C C . ILE D 53 ? 0.3934 0.3977 0.3522 0.0268 0.0460 0.0196 53 ILE D C 7891 O O . ILE D 53 ? 0.4403 0.4454 0.4000 0.0251 0.0436 0.0193 53 ILE D O 7892 C CB . ILE D 53 ? 0.3539 0.3509 0.3047 0.0284 0.0476 0.0168 53 ILE D CB 7893 C CG1 . ILE D 53 ? 0.4160 0.4080 0.3598 0.0291 0.0486 0.0153 53 ILE D CG1 7894 C CG2 . ILE D 53 ? 0.3303 0.3277 0.2831 0.0266 0.0447 0.0157 53 ILE D CG2 7895 C CD1 . ILE D 53 ? 0.2934 0.2824 0.2354 0.0295 0.0486 0.0136 53 ILE D CD1 7896 N N . GLN D 54 ? 0.6552 0.6624 0.6185 0.0278 0.0474 0.0211 54 GLN D N 7897 C CA . GLN D 54 ? 0.7226 0.7338 0.6919 0.0269 0.0461 0.0223 54 GLN D CA 7898 C C . GLN D 54 ? 0.7336 0.7473 0.7044 0.0259 0.0451 0.0235 54 GLN D C 7899 O O . GLN D 54 ? 0.7738 0.7893 0.7473 0.0243 0.0428 0.0235 54 GLN D O 7900 C CB . GLN D 54 ? 0.7151 0.7287 0.6886 0.0282 0.0480 0.0239 54 GLN D CB 7901 C CG . GLN D 54 ? 0.6846 0.7026 0.6640 0.0275 0.0472 0.0257 54 GLN D CG 7902 C CD . GLN D 54 ? 0.9469 0.9674 0.9296 0.0290 0.0496 0.0279 54 GLN D CD 7903 O OE1 . GLN D 54 ? 0.9780 0.9989 0.9597 0.0299 0.0513 0.0291 54 GLN D OE1 7904 N NE2 . GLN D 54 ? 1.0100 1.0321 0.9967 0.0292 0.0496 0.0284 54 GLN D NE2 7905 N N . GLN D 55 ? 0.5188 0.5326 0.4878 0.0268 0.0470 0.0246 55 GLN D N 7906 C CA . GLN D 55 ? 0.5382 0.5541 0.5083 0.0260 0.0462 0.0258 55 GLN D CA 7907 C C . GLN D 55 ? 0.5424 0.5564 0.5093 0.0243 0.0438 0.0243 55 GLN D C 7908 O O . GLN D 55 ? 0.4821 0.4983 0.4515 0.0229 0.0419 0.0248 55 GLN D O 7909 C CB . GLN D 55 ? 0.5682 0.5842 0.5365 0.0274 0.0487 0.0271 55 GLN D CB 7910 C CG . GLN D 55 ? 0.5670 0.5852 0.5362 0.0265 0.0479 0.0284 55 GLN D CG 7911 C CD . GLN D 55 ? 0.7158 0.7344 0.6837 0.0280 0.0505 0.0299 55 GLN D CD 7912 O OE1 . GLN D 55 ? 0.7241 0.7429 0.6902 0.0276 0.0503 0.0304 55 GLN D OE1 7913 N NE2 . GLN D 55 ? 0.7463 0.7650 0.7149 0.0299 0.0531 0.0308 55 GLN D NE2 7914 N N . LEU D 56 ? 0.4931 0.5031 0.4546 0.0245 0.0439 0.0225 56 LEU D N 7915 C CA . LEU D 56 ? 0.5271 0.5351 0.4854 0.0230 0.0417 0.0213 56 LEU D CA 7916 C C . LEU D 56 ? 0.5490 0.5582 0.5105 0.0213 0.0390 0.0206 56 LEU D C 7917 O O . LEU D 56 ? 0.5293 0.5397 0.4918 0.0199 0.0371 0.0208 56 LEU D O 7918 C CB . LEU D 56 ? 0.4642 0.4675 0.4161 0.0235 0.0422 0.0195 56 LEU D CB 7919 C CG . LEU D 56 ? 0.5149 0.5165 0.4625 0.0248 0.0446 0.0200 56 LEU D CG 7920 C CD1 . LEU D 56 ? 0.4683 0.4648 0.4095 0.0252 0.0449 0.0181 56 LEU D CD1 7921 C CD2 . LEU D 56 ? 0.4674 0.4702 0.4144 0.0239 0.0438 0.0209 56 LEU D CD2 7922 N N . ARG D 57 ? 0.7652 0.7740 0.7283 0.0216 0.0390 0.0199 57 ARG D N 7923 C CA . ARG D 57 ? 0.7770 0.7865 0.7428 0.0202 0.0365 0.0191 57 ARG D CA 7924 C C . ARG D 57 ? 0.7282 0.7419 0.6995 0.0194 0.0356 0.0206 57 ARG D C 7925 O O . ARG D 57 ? 0.7652 0.7796 0.7381 0.0179 0.0334 0.0203 57 ARG D O 7926 C CB . ARG D 57 ? 0.7535 0.7619 0.7199 0.0208 0.0368 0.0181 57 ARG D CB 7927 C CG . ARG D 57 ? 0.8693 0.8750 0.8333 0.0197 0.0349 0.0163 57 ARG D CG 7928 C CD . ARG D 57 ? 0.9530 0.9594 0.9202 0.0195 0.0341 0.0158 57 ARG D CD 7929 N NE . ARG D 57 ? 1.0522 1.0599 1.0218 0.0210 0.0361 0.0166 57 ARG D NE 7930 C CZ . ARG D 57 ? 1.0590 1.0696 1.0336 0.0209 0.0359 0.0175 57 ARG D CZ 7931 N NH1 . ARG D 57 ? 1.0397 1.0522 1.0173 0.0194 0.0337 0.0176 57 ARG D NH1 7932 N NH2 . ARG D 57 ? 1.1281 1.1397 1.1047 0.0222 0.0378 0.0183 57 ARG D NH2 7933 N N . ASN D 58 ? 0.4807 0.4970 0.4549 0.0204 0.0373 0.0223 58 ASN D N 7934 C CA . ASN D 58 ? 0.5486 0.5687 0.5278 0.0196 0.0363 0.0238 58 ASN D CA 7935 C C . ASN D 58 ? 0.5216 0.5424 0.5001 0.0185 0.0352 0.0243 58 ASN D C 7936 O O . ASN D 58 ? 0.4814 0.5045 0.4632 0.0173 0.0336 0.0249 58 ASN D O 7937 C CB . ASN D 58 ? 0.6008 0.6235 0.5834 0.0208 0.0383 0.0257 58 ASN D CB 7938 C CG . ASN D 58 ? 0.6489 0.6751 0.6370 0.0199 0.0370 0.0270 58 ASN D CG 7939 O OD1 . ASN D 58 ? 0.6146 0.6415 0.6054 0.0197 0.0364 0.0268 58 ASN D OD1 7940 N ND2 . ASN D 58 ? 0.6931 0.7215 0.6828 0.0193 0.0366 0.0283 58 ASN D ND2 7941 N N . ASP D 59 ? 0.4694 0.4881 0.4433 0.0189 0.0360 0.0240 59 ASP D N 7942 C CA . ASP D 59 ? 0.4254 0.4445 0.3983 0.0179 0.0351 0.0245 59 ASP D CA 7943 C C . ASP D 59 ? 0.4872 0.5051 0.4590 0.0162 0.0325 0.0232 59 ASP D C 7944 O O . ASP D 59 ? 0.4761 0.4947 0.4479 0.0151 0.0313 0.0236 59 ASP D O 7945 C CB . ASP D 59 ? 0.4015 0.4186 0.3696 0.0189 0.0368 0.0245 59 ASP D CB 7946 C CG . ASP D 59 ? 0.5163 0.5352 0.4858 0.0205 0.0394 0.0263 59 ASP D CG 7947 O OD1 . ASP D 59 ? 0.5382 0.5604 0.5127 0.0206 0.0395 0.0277 59 ASP D OD1 7948 O OD2 . ASP D 59 ? 0.5553 0.5722 0.5207 0.0216 0.0412 0.0263 59 ASP D OD2 7949 N N . THR D 60 ? 0.4838 0.4998 0.4549 0.0159 0.0316 0.0217 60 THR D N 7950 C CA . THR D 60 ? 0.5206 0.5353 0.4908 0.0144 0.0292 0.0205 60 THR D CA 7951 C C . THR D 60 ? 0.5488 0.5664 0.5239 0.0132 0.0275 0.0211 60 THR D C 7952 O O . THR D 60 ? 0.5385 0.5559 0.5137 0.0118 0.0255 0.0208 60 THR D O 7953 C CB . THR D 60 ? 0.5050 0.5166 0.4727 0.0145 0.0287 0.0187 60 THR D CB 7954 O OG1 . THR D 60 ? 0.5385 0.5515 0.5100 0.0147 0.0287 0.0187 60 THR D OG1 7955 C CG2 . THR D 60 ? 0.4254 0.4342 0.3886 0.0158 0.0307 0.0181 60 THR D CG2 7956 N N . ASN D 61 ? 0.5872 0.6075 0.5665 0.0137 0.0282 0.0222 61 ASN D N 7957 C CA . ASN D 61 ? 0.5448 0.5677 0.5287 0.0127 0.0268 0.0229 61 ASN D CA 7958 C C . ASN D 61 ? 0.5934 0.6178 0.5782 0.0116 0.0257 0.0238 61 ASN D C 7959 O O . ASN D 61 ? 0.6112 0.6366 0.5984 0.0104 0.0240 0.0238 61 ASN D O 7960 C CB . ASN D 61 ? 0.5731 0.5985 0.5610 0.0136 0.0280 0.0241 61 ASN D CB 7961 C CG . ASN D 61 ? 0.6581 0.6823 0.6459 0.0144 0.0288 0.0233 61 ASN D CG 7962 O OD1 . ASN D 61 ? 0.6858 0.7082 0.6724 0.0140 0.0277 0.0218 61 ASN D OD1 7963 N ND2 . ASN D 61 ? 0.6038 0.6293 0.5932 0.0157 0.0306 0.0243 61 ASN D ND2 7964 N N . ALA D 62 ? 0.6120 0.6364 0.5948 0.0121 0.0269 0.0246 62 ALA D N 7965 C CA . ALA D 62 ? 0.6134 0.6392 0.5967 0.0112 0.0259 0.0255 62 ALA D CA 7966 C C . ALA D 62 ? 0.5993 0.6234 0.5809 0.0097 0.0238 0.0243 62 ALA D C 7967 O O . ALA D 62 ? 0.6186 0.6441 0.6029 0.0085 0.0222 0.0246 62 ALA D O 7968 C CB . ALA D 62 ? 0.6213 0.6469 0.6020 0.0120 0.0276 0.0263 62 ALA D CB 7969 N N . ALA D 63 ? 0.5851 0.6061 0.5622 0.0098 0.0238 0.0230 63 ALA D N 7970 C CA . ALA D 63 ? 0.5427 0.5619 0.5180 0.0085 0.0219 0.0220 63 ALA D CA 7971 C C . ALA D 63 ? 0.5293 0.5487 0.5073 0.0077 0.0203 0.0213 63 ALA D C 7972 O O . ALA D 63 ? 0.5248 0.5442 0.5036 0.0065 0.0185 0.0211 63 ALA D O 7973 C CB . ALA D 63 ? 0.5383 0.5539 0.5082 0.0089 0.0222 0.0208 63 ALA D CB 7974 N N . ILE D 64 ? 0.4690 0.4884 0.4483 0.0086 0.0211 0.0209 64 ILE D N 7975 C CA . ILE D 64 ? 0.5253 0.5448 0.5070 0.0080 0.0198 0.0201 64 ILE D CA 7976 C C . ILE D 64 ? 0.5305 0.5528 0.5167 0.0072 0.0188 0.0211 64 ILE D C 7977 O O . ILE D 64 ? 0.5161 0.5382 0.5034 0.0061 0.0171 0.0207 64 ILE D O 7978 C CB . ILE D 64 ? 0.4989 0.5179 0.4810 0.0091 0.0210 0.0196 64 ILE D CB 7979 C CG1 . ILE D 64 ? 0.5144 0.5302 0.4919 0.0099 0.0218 0.0184 64 ILE D CG1 7980 C CG2 . ILE D 64 ? 0.5924 0.6116 0.5771 0.0085 0.0197 0.0189 64 ILE D CG2 7981 C CD1 . ILE D 64 ? 0.5729 0.5883 0.5506 0.0112 0.0234 0.0181 64 ILE D CD1 7982 N N . GLU D 65 ? 0.6042 0.6289 0.5929 0.0077 0.0198 0.0224 65 GLU D N 7983 C CA . GLU D 65 ? 0.5660 0.5933 0.5589 0.0069 0.0189 0.0234 65 GLU D CA 7984 C C . GLU D 65 ? 0.5591 0.5867 0.5518 0.0057 0.0176 0.0238 65 GLU D C 7985 O O . GLU D 65 ? 0.4918 0.5205 0.4872 0.0048 0.0163 0.0241 65 GLU D O 7986 C CB . GLU D 65 ? 0.5802 0.6099 0.5755 0.0078 0.0204 0.0249 65 GLU D CB 7987 C CG . GLU D 65 ? 0.6471 0.6771 0.6436 0.0088 0.0215 0.0249 65 GLU D CG 7988 C CD . GLU D 65 ? 0.7392 0.7709 0.7368 0.0099 0.0234 0.0264 65 GLU D CD 7989 O OE1 . GLU D 65 ? 0.7471 0.7798 0.7467 0.0106 0.0242 0.0268 65 GLU D OE1 7990 O OE2 . GLU D 65 ? 0.7923 0.8246 0.7888 0.0100 0.0240 0.0272 65 GLU D OE2 7991 N N . GLY D 66 ? 0.4727 0.4992 0.4621 0.0058 0.0180 0.0238 66 GLY D N 7992 C CA . GLY D 66 ? 0.4219 0.4485 0.4109 0.0047 0.0168 0.0242 66 GLY D CA 7993 C C . GLY D 66 ? 0.4980 0.5234 0.4870 0.0036 0.0149 0.0232 66 GLY D C 7994 O O . GLY D 66 ? 0.5001 0.5266 0.4914 0.0026 0.0137 0.0237 66 GLY D O 7995 N N . PHE D 67 ? 0.5566 0.5794 0.5428 0.0038 0.0148 0.0219 67 PHE D N 7996 C CA . PHE D 67 ? 0.5634 0.5848 0.5495 0.0028 0.0131 0.0210 67 PHE D CA 7997 C C . PHE D 67 ? 0.5148 0.5377 0.5049 0.0025 0.0124 0.0210 67 PHE D C 7998 O O . PHE D 67 ? 0.5046 0.5279 0.4964 0.0014 0.0110 0.0212 67 PHE D O 7999 C CB . PHE D 67 ? 0.4636 0.4821 0.4462 0.0032 0.0132 0.0196 67 PHE D CB 8000 C CG . PHE D 67 ? 0.5585 0.5757 0.5413 0.0022 0.0115 0.0188 67 PHE D CG 8001 C CD1 . PHE D 67 ? 0.5058 0.5231 0.4907 0.0024 0.0113 0.0182 67 PHE D CD1 8002 C CD2 . PHE D 67 ? 0.4897 0.5056 0.4707 0.0012 0.0101 0.0187 67 PHE D CD2 8003 C CE1 . PHE D 67 ? 0.5306 0.5467 0.5158 0.0016 0.0098 0.0175 67 PHE D CE1 8004 C CE2 . PHE D 67 ? 0.5238 0.5386 0.5052 0.0003 0.0086 0.0181 67 PHE D CE2 8005 C CZ . PHE D 67 ? 0.4700 0.4849 0.4536 0.0006 0.0084 0.0175 67 PHE D CZ 8006 N N . ASN D 68 ? 0.5203 0.5437 0.5117 0.0034 0.0134 0.0209 68 ASN D N 8007 C CA . ASN D 68 ? 0.5499 0.5743 0.5446 0.0032 0.0128 0.0207 68 ASN D CA 8008 C C . ASN D 68 ? 0.5422 0.5688 0.5404 0.0025 0.0122 0.0218 68 ASN D C 8009 O O . ASN D 68 ? 0.4656 0.4928 0.4662 0.0020 0.0113 0.0217 68 ASN D O 8010 C CB . ASN D 68 ? 0.5353 0.5599 0.5306 0.0043 0.0141 0.0205 68 ASN D CB 8011 C CG . ASN D 68 ? 0.6066 0.6289 0.6000 0.0046 0.0141 0.0191 68 ASN D CG 8012 O OD1 . ASN D 68 ? 0.5459 0.5672 0.5394 0.0039 0.0128 0.0184 68 ASN D OD1 8013 N ND2 . ASN D 68 ? 0.5971 0.6186 0.5886 0.0058 0.0155 0.0188 68 ASN D ND2 8014 N N . GLY D 69 ? 0.5718 0.5998 0.5701 0.0025 0.0127 0.0229 69 GLY D N 8015 C CA . GLY D 69 ? 0.5453 0.5755 0.5468 0.0018 0.0121 0.0241 69 GLY D CA 8016 C C . GLY D 69 ? 0.6481 0.6781 0.6496 0.0007 0.0108 0.0243 69 GLY D C 8017 O O . GLY D 69 ? 0.7036 0.7351 0.7078 0.0000 0.0102 0.0251 69 GLY D O 8018 N N . ARG D 70 ? 0.5799 0.6080 0.5786 0.0003 0.0103 0.0236 70 ARG D N 8019 C CA . ARG D 70 ? 0.5572 0.5852 0.5560 -0.0008 0.0090 0.0239 70 ARG D CA 8020 C C . ARG D 70 ? 0.5662 0.5930 0.5657 -0.0015 0.0077 0.0231 70 ARG D C 8021 O O . ARG D 70 ? 0.6034 0.6283 0.6008 -0.0014 0.0074 0.0221 70 ARG D O 8022 C CB . ARG D 70 ? 0.5461 0.5728 0.5413 -0.0009 0.0091 0.0239 70 ARG D CB 8023 C CG . ARG D 70 ? 0.6192 0.6460 0.6145 -0.0021 0.0078 0.0245 70 ARG D CG 8024 C CD . ARG D 70 ? 0.6410 0.6669 0.6328 -0.0021 0.0081 0.0247 70 ARG D CD 8025 N NE . ARG D 70 ? 0.7187 0.7426 0.7070 -0.0013 0.0088 0.0237 70 ARG D NE 8026 C CZ . ARG D 70 ? 0.6696 0.6933 0.6558 -0.0003 0.0104 0.0238 70 ARG D CZ 8027 N NH1 . ARG D 70 ? 0.5967 0.6225 0.5843 0.0001 0.0113 0.0249 70 ARG D NH1 8028 N NH2 . ARG D 70 ? 0.7139 0.7354 0.6968 0.0004 0.0110 0.0227 70 ARG D NH2 8029 N N . ILE D 71 ? 0.4406 0.4686 0.4432 -0.0021 0.0069 0.0236 71 ILE D N 8030 C CA . ILE D 71 ? 0.4895 0.5165 0.4932 -0.0026 0.0058 0.0230 71 ILE D CA 8031 C C . ILE D 71 ? 0.4534 0.4811 0.4588 -0.0036 0.0048 0.0238 71 ILE D C 8032 O O . ILE D 71 ? 0.4880 0.5174 0.4956 -0.0038 0.0049 0.0246 71 ILE D O 8033 C CB . ILE D 71 ? 0.4533 0.4808 0.4592 -0.0022 0.0061 0.0226 71 ILE D CB 8034 C CG1 . ILE D 71 ? 0.4690 0.4962 0.4736 -0.0011 0.0073 0.0221 71 ILE D CG1 8035 C CG2 . ILE D 71 ? 0.4435 0.4698 0.4501 -0.0026 0.0052 0.0219 71 ILE D CG2 8036 C CD1 . ILE D 71 ? 0.4323 0.4602 0.4391 -0.0007 0.0077 0.0219 71 ILE D CD1 8037 N N . ALA D 72 ? 0.3461 0.3725 0.3506 -0.0043 0.0038 0.0235 72 ALA D N 8038 C CA . ALA D 72 ? 0.3765 0.4034 0.3823 -0.0053 0.0028 0.0244 72 ALA D CA 8039 C C . ALA D 72 ? 0.3929 0.4206 0.4020 -0.0056 0.0024 0.0246 72 ALA D C 8040 O O . ALA D 72 ? 0.3681 0.3951 0.3780 -0.0054 0.0022 0.0239 72 ALA D O 8041 C CB . ALA D 72 ? 0.2895 0.3147 0.2934 -0.0059 0.0018 0.0241 72 ALA D CB 8042 N N . HIS D 73 ? 0.4315 0.4606 0.4425 -0.0061 0.0021 0.0257 73 HIS D N 8043 C CA . HIS D 73 ? 0.4084 0.4380 0.4223 -0.0065 0.0017 0.0260 73 HIS D CA 8044 C C . HIS D 73 ? 0.3837 0.4120 0.3980 -0.0070 0.0008 0.0258 73 HIS D C 8045 O O . HIS D 73 ? 0.4509 0.4784 0.4637 -0.0075 0.0002 0.0259 73 HIS D O 8046 C CB . HIS D 73 ? 0.3259 0.3571 0.3416 -0.0069 0.0016 0.0272 73 HIS D CB 8047 C CG . HIS D 73 ? 0.3155 0.3471 0.3340 -0.0073 0.0013 0.0275 73 HIS D CG 8048 N ND1 . HIS D 73 ? 0.3320 0.3632 0.3518 -0.0079 0.0005 0.0279 73 HIS D ND1 8049 C CD2 . HIS D 73 ? 0.3438 0.3760 0.3640 -0.0070 0.0016 0.0275 73 HIS D CD2 8050 C CE1 . HIS D 73 ? 0.3459 0.3773 0.3679 -0.0080 0.0005 0.0280 73 HIS D CE1 8051 N NE2 . HIS D 73 ? 0.3805 0.4125 0.4028 -0.0075 0.0011 0.0278 73 HIS D NE2 8052 N N . ASP D 74 ? 0.3305 0.3586 0.3468 -0.0070 0.0006 0.0256 74 ASP D N 8053 C CA . ASP D 74 ? 0.3707 0.3977 0.3877 -0.0074 -0.0001 0.0254 74 ASP D CA 8054 C C . ASP D 74 ? 0.3247 0.3519 0.3443 -0.0076 -0.0002 0.0257 74 ASP D C 8055 O O . ASP D 74 ? 0.3376 0.3654 0.3581 -0.0072 0.0003 0.0256 74 ASP D O 8056 C CB . ASP D 74 ? 0.3821 0.4076 0.3974 -0.0070 -0.0001 0.0244 74 ASP D CB 8057 C CG . ASP D 74 ? 0.4168 0.4412 0.4326 -0.0075 -0.0009 0.0244 74 ASP D CG 8058 O OD1 . ASP D 74 ? 0.4671 0.4917 0.4839 -0.0082 -0.0016 0.0253 74 ASP D OD1 8059 O OD2 . ASP D 74 ? 0.4394 0.4626 0.4545 -0.0071 -0.0010 0.0236 74 ASP D OD2 8060 N N . GLU D 75 ? 0.3682 0.3947 0.3889 -0.0080 -0.0008 0.0260 75 GLU D N 8061 C CA . GLU D 75 ? 0.3747 0.4010 0.3976 -0.0080 -0.0008 0.0261 75 GLU D CA 8062 C C . GLU D 75 ? 0.3555 0.3806 0.3790 -0.0082 -0.0012 0.0261 75 GLU D C 8063 O O . GLU D 75 ? 0.3662 0.3912 0.3898 -0.0088 -0.0018 0.0268 75 GLU D O 8064 C CB . GLU D 75 ? 0.3154 0.3427 0.3401 -0.0085 -0.0008 0.0271 75 GLU D CB 8065 C CG . GLU D 75 ? 0.3214 0.3482 0.3482 -0.0086 -0.0009 0.0273 75 GLU D CG 8066 C CD . GLU D 75 ? 0.3676 0.3954 0.3961 -0.0090 -0.0009 0.0282 75 GLU D CD 8067 O OE1 . GLU D 75 ? 0.3694 0.3965 0.3995 -0.0090 -0.0008 0.0283 75 GLU D OE1 8068 O OE2 . GLU D 75 ? 0.4082 0.4372 0.4364 -0.0092 -0.0009 0.0287 75 GLU D OE2 8069 N N . GLN D 76 ? 0.3285 0.3527 0.3523 -0.0077 -0.0010 0.0253 76 GLN D N 8070 C CA . GLN D 76 ? 0.3148 0.3378 0.3392 -0.0078 -0.0013 0.0253 76 GLN D CA 8071 C C . GLN D 76 ? 0.3334 0.3559 0.3597 -0.0075 -0.0010 0.0252 76 GLN D C 8072 O O . GLN D 76 ? 0.2826 0.3048 0.3086 -0.0070 -0.0005 0.0245 76 GLN D O 8073 C CB . GLN D 76 ? 0.3396 0.3617 0.3624 -0.0074 -0.0014 0.0245 76 GLN D CB 8074 C CG . GLN D 76 ? 0.3639 0.3861 0.3846 -0.0077 -0.0018 0.0245 76 GLN D CG 8075 C CD . GLN D 76 ? 0.4805 0.5015 0.4993 -0.0073 -0.0019 0.0235 76 GLN D CD 8076 O OE1 . GLN D 76 ? 0.3879 0.4081 0.4075 -0.0070 -0.0020 0.0232 76 GLN D OE1 8077 N NE2 . GLN D 76 ? 0.2905 0.3116 0.3071 -0.0072 -0.0019 0.0232 76 GLN D NE2 8078 N N . ALA D 77 ? 0.3491 0.3713 0.3771 -0.0079 -0.0012 0.0261 77 ALA D N 8079 C CA . ALA D 77 ? 0.3745 0.3959 0.4040 -0.0076 -0.0008 0.0261 77 ALA D CA 8080 C C . ALA D 77 ? 0.4136 0.4339 0.4434 -0.0072 -0.0007 0.0258 77 ALA D C 8081 O O . ALA D 77 ? 0.4103 0.4297 0.4408 -0.0068 -0.0002 0.0254 77 ALA D O 8082 C CB . ALA D 77 ? 0.2580 0.2798 0.2894 -0.0081 -0.0008 0.0272 77 ALA D CB 8083 N N . ILE D 78 ? 0.4399 0.4600 0.4690 -0.0074 -0.0013 0.0259 78 ILE D N 8084 C CA . ILE D 78 ? 0.4867 0.5058 0.5163 -0.0072 -0.0014 0.0260 78 ILE D CA 8085 C C . ILE D 78 ? 0.4820 0.5004 0.5106 -0.0065 -0.0010 0.0248 78 ILE D C 8086 O O . ILE D 78 ? 0.4836 0.5024 0.5107 -0.0063 -0.0009 0.0239 78 ILE D O 8087 C CB . ILE D 78 ? 0.5515 0.5707 0.5807 -0.0078 -0.0023 0.0266 78 ILE D CB 8088 C CG1 . ILE D 78 ? 0.5390 0.5579 0.5703 -0.0082 -0.0026 0.0279 78 ILE D CG1 8089 C CG2 . ILE D 78 ? 0.6219 0.6404 0.6495 -0.0075 -0.0026 0.0257 78 ILE D CG2 8090 C CD1 . ILE D 78 ? 0.4991 0.5187 0.5320 -0.0086 -0.0025 0.0289 78 ILE D CD1 8091 N N . LYS D 79 ? 0.3545 0.3719 0.3839 -0.0061 -0.0008 0.0247 79 LYS D N 8092 C CA . LYS D 79 ? 0.3722 0.3890 0.4009 -0.0055 -0.0004 0.0236 79 LYS D CA 8093 C C . LYS D 79 ? 0.4207 0.4372 0.4482 -0.0053 -0.0008 0.0231 79 LYS D C 8094 O O . LYS D 79 ? 0.3969 0.4132 0.4234 -0.0048 -0.0005 0.0221 79 LYS D O 8095 C CB . LYS D 79 ? 0.2907 0.3066 0.3208 -0.0050 0.0002 0.0238 79 LYS D CB 8096 C CG . LYS D 79 ? 0.3651 0.3809 0.3959 -0.0051 0.0007 0.0240 79 LYS D CG 8097 C CD . LYS D 79 ? 0.2743 0.2904 0.3039 -0.0048 0.0010 0.0230 79 LYS D CD 8098 C CE . LYS D 79 ? 0.2857 0.3011 0.3160 -0.0047 0.0015 0.0231 79 LYS D CE 8099 N NZ . LYS D 79 ? 0.3473 0.3623 0.3766 -0.0043 0.0019 0.0221 79 LYS D NZ 8100 N N . ASN D 80 ? 0.6400 0.6564 0.6676 -0.0058 -0.0015 0.0238 80 ASN D N 8101 C CA . ASN D 80 ? 0.7286 0.7446 0.7549 -0.0057 -0.0020 0.0233 80 ASN D CA 8102 C C . ASN D 80 ? 0.7063 0.7227 0.7305 -0.0060 -0.0024 0.0229 80 ASN D C 8103 O O . ASN D 80 ? 0.7022 0.7193 0.7262 -0.0066 -0.0027 0.0235 80 ASN D O 8104 C CB . ASN D 80 ? 0.7305 0.7459 0.7578 -0.0061 -0.0028 0.0243 80 ASN D CB 8105 C CG . ASN D 80 ? 0.7532 0.7681 0.7827 -0.0057 -0.0023 0.0248 80 ASN D CG 8106 O OD1 . ASN D 80 ? 0.8700 0.8843 0.8995 -0.0050 -0.0017 0.0241 80 ASN D OD1 8107 N ND2 . ASN D 80 ? 0.8222 0.8373 0.8536 -0.0061 -0.0025 0.0261 80 ASN D ND2 8108 N N . LEU D 81 ? 0.4565 0.4725 0.4790 -0.0056 -0.0023 0.0219 81 LEU D N 8109 C CA . LEU D 81 ? 0.3532 0.3694 0.3735 -0.0058 -0.0026 0.0214 81 LEU D CA 8110 C C . LEU D 81 ? 0.3320 0.3478 0.3516 -0.0065 -0.0036 0.0222 81 LEU D C 8111 O O . LEU D 81 ? 0.4367 0.4517 0.4569 -0.0067 -0.0043 0.0225 81 LEU D O 8112 C CB . LEU D 81 ? 0.3418 0.3574 0.3606 -0.0052 -0.0023 0.0203 81 LEU D CB 8113 C CG . LEU D 81 ? 0.4245 0.4401 0.4408 -0.0051 -0.0023 0.0197 81 LEU D CG 8114 C CD1 . LEU D 81 ? 0.3585 0.3752 0.3746 -0.0049 -0.0015 0.0195 81 LEU D CD1 8115 C CD2 . LEU D 81 ? 0.3558 0.3704 0.3707 -0.0046 -0.0023 0.0187 81 LEU D CD2 8116 N N . ALA D 82 ? 0.2874 0.3037 0.3059 -0.0070 -0.0038 0.0224 82 ALA D N 8117 C CA . ALA D 82 ? 0.2939 0.3097 0.3113 -0.0078 -0.0049 0.0231 82 ALA D CA 8118 C C . ALA D 82 ? 0.2376 0.2525 0.2520 -0.0077 -0.0051 0.0222 82 ALA D C 8119 O O . ALA D 82 ? 0.2451 0.2602 0.2576 -0.0078 -0.0050 0.0219 82 ALA D O 8120 C CB . ALA D 82 ? 0.2583 0.2751 0.2759 -0.0084 -0.0050 0.0240 82 ALA D CB 8121 N N . LYS D 83 ? 0.4097 0.4236 0.4239 -0.0074 -0.0054 0.0216 83 LYS D N 8122 C CA . LYS D 83 ? 0.4202 0.4331 0.4318 -0.0070 -0.0053 0.0205 83 LYS D CA 8123 C C . LYS D 83 ? 0.4160 0.4281 0.4249 -0.0076 -0.0061 0.0206 83 LYS D C 8124 O O . LYS D 83 ? 0.4654 0.4773 0.4719 -0.0073 -0.0055 0.0198 83 LYS D O 8125 C CB . LYS D 83 ? 0.4452 0.4571 0.4573 -0.0067 -0.0056 0.0201 83 LYS D CB 8126 C CG . LYS D 83 ? 0.4951 0.5061 0.5049 -0.0061 -0.0053 0.0189 83 LYS D CG 8127 C CD . LYS D 83 ? 0.5338 0.5438 0.5443 -0.0059 -0.0057 0.0186 83 LYS D CD 8128 C CE . LYS D 83 ? 0.5581 0.5671 0.5663 -0.0053 -0.0055 0.0174 83 LYS D CE 8129 N NZ . LYS D 83 ? 0.5865 0.5944 0.5917 -0.0058 -0.0060 0.0172 83 LYS D NZ 8130 N N . GLU D 84 ? 0.3710 0.3826 0.3802 -0.0085 -0.0073 0.0216 84 GLU D N 8131 C CA . GLU D 84 ? 0.3550 0.3656 0.3616 -0.0093 -0.0082 0.0218 84 GLU D CA 8132 C C . GLU D 84 ? 0.3220 0.3334 0.3273 -0.0094 -0.0078 0.0219 84 GLU D C 8133 O O . GLU D 84 ? 0.2962 0.3067 0.2984 -0.0095 -0.0078 0.0215 84 GLU D O 8134 C CB . GLU D 84 ? 0.3356 0.3456 0.3432 -0.0103 -0.0097 0.0230 84 GLU D CB 8135 C CG . GLU D 84 ? 0.3370 0.3458 0.3452 -0.0103 -0.0104 0.0229 84 GLU D CG 8136 C CD . GLU D 84 ? 0.4666 0.4763 0.4781 -0.0097 -0.0098 0.0231 84 GLU D CD 8137 O OE1 . GLU D 84 ? 0.3701 0.3811 0.3839 -0.0097 -0.0092 0.0238 84 GLU D OE1 8138 O OE2 . GLU D 84 ? 0.6307 0.6396 0.6423 -0.0093 -0.0099 0.0226 84 GLU D OE2 8139 N N . ILE D 85 ? 0.4660 0.4790 0.4736 -0.0095 -0.0073 0.0227 85 ILE D N 8140 C CA . ILE D 85 ? 0.4511 0.4651 0.4579 -0.0096 -0.0068 0.0229 85 ILE D CA 8141 C C . ILE D 85 ? 0.4386 0.4528 0.4438 -0.0086 -0.0056 0.0218 85 ILE D C 8142 O O . ILE D 85 ? 0.4996 0.5137 0.5024 -0.0086 -0.0053 0.0215 85 ILE D O 8143 C CB . ILE D 85 ? 0.4446 0.4603 0.4545 -0.0098 -0.0065 0.0239 85 ILE D CB 8144 C CG1 . ILE D 85 ? 0.5007 0.5163 0.5123 -0.0107 -0.0077 0.0253 85 ILE D CG1 8145 C CG2 . ILE D 85 ? 0.4600 0.4768 0.4692 -0.0098 -0.0059 0.0242 85 ILE D CG2 8146 C CD1 . ILE D 85 ? 0.4586 0.4756 0.4733 -0.0109 -0.0074 0.0263 85 ILE D CD1 8147 N N . GLU D 86 ? 0.4791 0.4936 0.4857 -0.0078 -0.0048 0.0211 86 GLU D N 8148 C CA . GLU D 86 ? 0.4741 0.4889 0.4797 -0.0069 -0.0036 0.0201 86 GLU D CA 8149 C C . GLU D 86 ? 0.5038 0.5171 0.5060 -0.0067 -0.0036 0.0193 86 GLU D C 8150 O O . GLU D 86 ? 0.5077 0.5211 0.5081 -0.0062 -0.0028 0.0189 86 GLU D O 8151 C CB . GLU D 86 ? 0.5540 0.5691 0.5616 -0.0062 -0.0031 0.0197 86 GLU D CB 8152 C CG . GLU D 86 ? 0.6280 0.6439 0.6355 -0.0054 -0.0018 0.0190 86 GLU D CG 8153 C CD . GLU D 86 ? 0.5885 0.6061 0.5985 -0.0054 -0.0013 0.0196 86 GLU D CD 8154 O OE1 . GLU D 86 ? 0.5046 0.5225 0.5166 -0.0059 -0.0018 0.0204 86 GLU D OE1 8155 O OE2 . GLU D 86 ? 0.6531 0.6715 0.6630 -0.0048 -0.0004 0.0193 86 GLU D OE2 8156 N N . ASP D 87 ? 0.4070 0.4187 0.4085 -0.0069 -0.0046 0.0190 87 ASP D N 8157 C CA . ASP D 87 ? 0.4108 0.4207 0.4089 -0.0068 -0.0047 0.0182 87 ASP D CA 8158 C C . ASP D 87 ? 0.3860 0.3952 0.3813 -0.0074 -0.0052 0.0185 87 ASP D C 8159 O O . ASP D 87 ? 0.3932 0.4013 0.3854 -0.0070 -0.0047 0.0178 87 ASP D O 8160 C CB . ASP D 87 ? 0.3662 0.3746 0.3644 -0.0071 -0.0058 0.0180 87 ASP D CB 8161 C CG . ASP D 87 ? 0.4418 0.4506 0.4421 -0.0063 -0.0052 0.0175 87 ASP D CG 8162 O OD1 . ASP D 87 ? 0.4918 0.5021 0.4936 -0.0057 -0.0041 0.0173 87 ASP D OD1 8163 O OD2 . ASP D 87 ? 0.4769 0.4846 0.4774 -0.0064 -0.0059 0.0172 87 ASP D OD2 8164 N N . ALA D 88 ? 0.2801 0.2899 0.2764 -0.0083 -0.0060 0.0196 88 ALA D N 8165 C CA . ALA D 88 ? 0.3170 0.3261 0.3107 -0.0090 -0.0066 0.0201 88 ALA D CA 8166 C C . ALA D 88 ? 0.3639 0.3741 0.3564 -0.0084 -0.0053 0.0199 88 ALA D C 8167 O O . ALA D 88 ? 0.3835 0.3926 0.3726 -0.0083 -0.0051 0.0195 88 ALA D O 8168 C CB . ALA D 88 ? 0.2678 0.2775 0.2632 -0.0101 -0.0078 0.0214 88 ALA D CB 8169 N N . ARG D 89 ? 0.3890 0.4012 0.3843 -0.0080 -0.0044 0.0202 89 ARG D N 8170 C CA . ARG D 89 ? 0.3909 0.4044 0.3857 -0.0074 -0.0031 0.0202 89 ARG D CA 8171 C C . ARG D 89 ? 0.3398 0.3526 0.3325 -0.0063 -0.0019 0.0191 89 ARG D C 8172 O O . ARG D 89 ? 0.3851 0.3979 0.3756 -0.0059 -0.0011 0.0190 89 ARG D O 8173 C CB . ARG D 89 ? 0.3885 0.4041 0.3869 -0.0072 -0.0025 0.0208 89 ARG D CB 8174 C CG . ARG D 89 ? 0.3572 0.3737 0.3578 -0.0081 -0.0034 0.0220 89 ARG D CG 8175 C CD . ARG D 89 ? 0.4317 0.4500 0.4357 -0.0078 -0.0028 0.0223 89 ARG D CD 8176 N NE . ARG D 89 ? 0.4292 0.4484 0.4355 -0.0087 -0.0035 0.0235 89 ARG D NE 8177 C CZ . ARG D 89 ? 0.4120 0.4324 0.4211 -0.0086 -0.0032 0.0240 89 ARG D CZ 8178 N NH1 . ARG D 89 ? 0.3636 0.3846 0.3738 -0.0078 -0.0023 0.0234 89 ARG D NH1 8179 N NH2 . ARG D 89 ? 0.3875 0.4084 0.3985 -0.0093 -0.0038 0.0251 89 ARG D NH2 8180 N N . ALA D 90 ? 0.2970 0.3092 0.2904 -0.0058 -0.0018 0.0183 90 ALA D N 8181 C CA . ALA D 90 ? 0.3144 0.3259 0.3061 -0.0047 -0.0007 0.0172 90 ALA D CA 8182 C C . ALA D 90 ? 0.3320 0.3412 0.3196 -0.0048 -0.0009 0.0166 90 ALA D C 8183 O O . ALA D 90 ? 0.3158 0.3247 0.3011 -0.0041 0.0002 0.0162 90 ALA D O 8184 C CB . ALA D 90 ? 0.2584 0.2698 0.2519 -0.0043 -0.0006 0.0166 90 ALA D CB 8185 N N . GLU D 91 ? 0.4103 0.4179 0.3969 -0.0056 -0.0024 0.0167 91 GLU D N 8186 C CA . GLU D 91 ? 0.4470 0.4521 0.4295 -0.0059 -0.0029 0.0161 91 GLU D CA 8187 C C . GLU D 91 ? 0.3772 0.3823 0.3572 -0.0061 -0.0025 0.0166 91 GLU D C 8188 O O . GLU D 91 ? 0.3610 0.3645 0.3374 -0.0056 -0.0019 0.0159 91 GLU D O 8189 C CB . GLU D 91 ? 0.4717 0.4754 0.4541 -0.0070 -0.0048 0.0164 91 GLU D CB 8190 C CG . GLU D 91 ? 0.5140 0.5147 0.4919 -0.0073 -0.0055 0.0158 91 GLU D CG 8191 C CD . GLU D 91 ? 0.7100 0.7094 0.6875 -0.0087 -0.0075 0.0165 91 GLU D CD 8192 O OE1 . GLU D 91 ? 0.6307 0.6315 0.6116 -0.0093 -0.0083 0.0175 91 GLU D OE1 8193 O OE2 . GLU D 91 ? 0.6903 0.6872 0.6641 -0.0092 -0.0083 0.0161 91 GLU D OE2 8194 N N . ALA D 92 ? 0.3632 0.3700 0.3450 -0.0067 -0.0029 0.0177 92 ALA D N 8195 C CA . ALA D 92 ? 0.3833 0.3903 0.3631 -0.0069 -0.0026 0.0182 92 ALA D CA 8196 C C . ALA D 92 ? 0.3630 0.3711 0.3423 -0.0057 -0.0006 0.0179 92 ALA D C 8197 O O . ALA D 92 ? 0.3582 0.3654 0.3343 -0.0055 0.0000 0.0178 92 ALA D O 8198 C CB . ALA D 92 ? 0.3300 0.3389 0.3126 -0.0078 -0.0033 0.0196 92 ALA D CB 8199 N N . LEU D 93 ? 0.2858 0.2956 0.2681 -0.0050 0.0003 0.0178 93 LEU D N 8200 C CA . LEU D 93 ? 0.3174 0.3284 0.2997 -0.0039 0.0020 0.0177 93 LEU D CA 8201 C C . LEU D 93 ? 0.3057 0.3149 0.2851 -0.0029 0.0030 0.0166 93 LEU D C 8202 O O . LEU D 93 ? 0.3275 0.3365 0.3048 -0.0021 0.0043 0.0165 93 LEU D O 8203 C CB . LEU D 93 ? 0.2877 0.3010 0.2742 -0.0035 0.0026 0.0180 93 LEU D CB 8204 C CG . LEU D 93 ? 0.3174 0.3324 0.3047 -0.0025 0.0042 0.0183 93 LEU D CG 8205 C CD1 . LEU D 93 ? 0.3201 0.3361 0.3065 -0.0028 0.0044 0.0192 93 LEU D CD1 8206 C CD2 . LEU D 93 ? 0.4157 0.4328 0.4071 -0.0024 0.0044 0.0186 93 LEU D CD2 8207 N N . VAL D 94 ? 0.3126 0.3202 0.2918 -0.0028 0.0024 0.0157 94 VAL D N 8208 C CA . VAL D 94 ? 0.3418 0.3473 0.3180 -0.0020 0.0031 0.0146 94 VAL D CA 8209 C C . VAL D 94 ? 0.3090 0.3121 0.2804 -0.0023 0.0029 0.0144 94 VAL D C 8210 O O . VAL D 94 ? 0.3171 0.3190 0.2856 -0.0014 0.0042 0.0138 94 VAL D O 8211 C CB . VAL D 94 ? 0.3579 0.3621 0.3347 -0.0022 0.0022 0.0139 94 VAL D CB 8212 C CG1 . VAL D 94 ? 0.3444 0.3460 0.3177 -0.0015 0.0027 0.0127 94 VAL D CG1 8213 C CG2 . VAL D 94 ? 0.3644 0.3707 0.3454 -0.0017 0.0026 0.0140 94 VAL D CG2 8214 N N . GLY D 95 ? 0.3268 0.3294 0.2975 -0.0035 0.0014 0.0149 95 GLY D N 8215 C CA . GLY D 95 ? 0.3394 0.3397 0.3056 -0.0040 0.0010 0.0148 95 GLY D CA 8216 C C . GLY D 95 ? 0.4183 0.4195 0.3831 -0.0034 0.0024 0.0153 95 GLY D C 8217 O O . GLY D 95 ? 0.4008 0.4000 0.3615 -0.0030 0.0031 0.0148 95 GLY D O 8218 N N . GLU D 96 ? 0.3492 0.3533 0.3174 -0.0035 0.0028 0.0163 96 GLU D N 8219 C CA . GLU D 96 ? 0.4033 0.4087 0.3709 -0.0029 0.0042 0.0169 96 GLU D CA 8220 C C . GLU D 96 ? 0.4186 0.4240 0.3854 -0.0013 0.0062 0.0163 96 GLU D C 8221 O O . GLU D 96 ? 0.4336 0.4383 0.3975 -0.0006 0.0075 0.0163 96 GLU D O 8222 C CB . GLU D 96 ? 0.3663 0.3749 0.3380 -0.0033 0.0041 0.0182 96 GLU D CB 8223 C CG . GLU D 96 ? 0.5344 0.5449 0.5066 -0.0023 0.0058 0.0188 96 GLU D CG 8224 C CD . GLU D 96 ? 0.7465 0.7597 0.7219 -0.0030 0.0055 0.0201 96 GLU D CD 8225 O OE1 . GLU D 96 ? 0.7830 0.7969 0.7610 -0.0039 0.0041 0.0205 96 GLU D OE1 8226 O OE2 . GLU D 96 ? 0.7946 0.8091 0.7698 -0.0025 0.0066 0.0208 96 GLU D OE2 8227 N N . LEU D 97 ? 0.3600 0.3661 0.3294 -0.0008 0.0065 0.0158 97 LEU D N 8228 C CA . LEU D 97 ? 0.3680 0.3741 0.3371 0.0007 0.0083 0.0153 97 LEU D CA 8229 C C . LEU D 97 ? 0.3723 0.3752 0.3366 0.0013 0.0089 0.0142 97 LEU D C 8230 O O . LEU D 97 ? 0.3848 0.3873 0.3474 0.0025 0.0106 0.0141 97 LEU D O 8231 C CB . LEU D 97 ? 0.3202 0.3276 0.2930 0.0010 0.0083 0.0150 97 LEU D CB 8232 C CG . LEU D 97 ? 0.4606 0.4686 0.4341 0.0024 0.0102 0.0148 97 LEU D CG 8233 C CD1 . LEU D 97 ? 0.4374 0.4477 0.4120 0.0030 0.0115 0.0158 97 LEU D CD1 8234 C CD2 . LEU D 97 ? 0.4837 0.4928 0.4606 0.0026 0.0100 0.0145 97 LEU D CD2 8235 N N . GLY D 98 ? 0.3562 0.3566 0.3183 0.0004 0.0073 0.0136 98 GLY D N 8236 C CA . GLY D 98 ? 0.3235 0.3204 0.2807 0.0008 0.0076 0.0125 98 GLY D CA 8237 C C . GLY D 98 ? 0.3352 0.3310 0.2884 0.0011 0.0085 0.0127 98 GLY D C 8238 O O . GLY D 98 ? 0.3442 0.3380 0.2940 0.0021 0.0099 0.0121 98 GLY D O 8239 N N . ILE D 99 ? 0.3014 0.2983 0.2550 0.0001 0.0077 0.0138 99 ILE D N 8240 C CA . ILE D 99 ? 0.3359 0.3321 0.2860 0.0002 0.0084 0.0142 99 ILE D CA 8241 C C . ILE D 99 ? 0.3633 0.3612 0.3140 0.0018 0.0109 0.0146 99 ILE D C 8242 O O . ILE D 99 ? 0.3202 0.3164 0.2671 0.0026 0.0123 0.0143 99 ILE D O 8243 C CB . ILE D 99 ? 0.3773 0.3750 0.3286 -0.0011 0.0071 0.0154 99 ILE D CB 8244 C CG1 . ILE D 99 ? 0.3303 0.3263 0.2811 -0.0026 0.0047 0.0151 99 ILE D CG1 8245 C CG2 . ILE D 99 ? 0.3505 0.3477 0.2983 -0.0009 0.0080 0.0159 99 ILE D CG2 8246 C CD1 . ILE D 99 ? 0.4163 0.4137 0.3684 -0.0040 0.0032 0.0164 99 ILE D CD1 8247 N N . ILE D 100 ? 0.3855 0.3868 0.3412 0.0020 0.0113 0.0154 100 ILE D N 8248 C CA . ILE D 100 ? 0.3461 0.3492 0.3031 0.0034 0.0135 0.0159 100 ILE D CA 8249 C C . ILE D 100 ? 0.3545 0.3557 0.3095 0.0048 0.0150 0.0149 100 ILE D C 8250 O O . ILE D 100 ? 0.3216 0.3225 0.2746 0.0060 0.0169 0.0150 100 ILE D O 8251 C CB . ILE D 100 ? 0.3681 0.3750 0.3309 0.0034 0.0135 0.0168 100 ILE D CB 8252 C CG1 . ILE D 100 ? 0.3350 0.3438 0.2995 0.0022 0.0125 0.0180 100 ILE D CG1 8253 C CG2 . ILE D 100 ? 0.2617 0.2702 0.2261 0.0048 0.0156 0.0173 100 ILE D CG2 8254 C CD1 . ILE D 100 ? 0.4129 0.4248 0.3827 0.0019 0.0120 0.0188 100 ILE D CD1 8255 N N . ARG D 101 ? 0.3956 0.3957 0.3513 0.0046 0.0141 0.0139 101 ARG D N 8256 C CA . ARG D 101 ? 0.4044 0.4024 0.3581 0.0058 0.0153 0.0128 101 ARG D CA 8257 C C . ARG D 101 ? 0.3859 0.3805 0.3337 0.0063 0.0161 0.0121 101 ARG D C 8258 O O . ARG D 101 ? 0.3550 0.3488 0.3011 0.0077 0.0181 0.0119 101 ARG D O 8259 C CB . ARG D 101 ? 0.4064 0.4032 0.3611 0.0052 0.0138 0.0118 101 ARG D CB 8260 C CG . ARG D 101 ? 0.4207 0.4155 0.3736 0.0063 0.0148 0.0107 101 ARG D CG 8261 C CD . ARG D 101 ? 0.4406 0.4327 0.3920 0.0055 0.0131 0.0096 101 ARG D CD 8262 N NE . ARG D 101 ? 0.4567 0.4457 0.4034 0.0046 0.0120 0.0091 101 ARG D NE 8263 C CZ . ARG D 101 ? 0.4769 0.4626 0.4185 0.0053 0.0129 0.0083 101 ARG D CZ 8264 N NH1 . ARG D 101 ? 0.3772 0.3625 0.3181 0.0069 0.0150 0.0079 101 ARG D NH1 8265 N NH2 . ARG D 101 ? 0.3820 0.3648 0.3192 0.0044 0.0117 0.0080 101 ARG D NH2 8266 N N . SER D 102 ? 0.3485 0.3409 0.2931 0.0051 0.0145 0.0118 102 SER D N 8267 C CA . SER D 102 ? 0.3510 0.3398 0.2896 0.0053 0.0149 0.0111 102 SER D CA 8268 C C . SER D 102 ? 0.3558 0.3452 0.2926 0.0062 0.0169 0.0119 102 SER D C 8269 O O . SER D 102 ? 0.3844 0.3713 0.3169 0.0073 0.0184 0.0114 102 SER D O 8270 C CB . SER D 102 ? 0.3459 0.3324 0.2818 0.0037 0.0126 0.0109 102 SER D CB 8271 O OG . SER D 102 ? 0.3887 0.3742 0.3257 0.0029 0.0109 0.0101 102 SER D OG 8272 N N . LEU D 103 ? 0.3664 0.3591 0.3066 0.0059 0.0168 0.0133 103 LEU D N 8273 C CA . LEU D 103 ? 0.3197 0.3136 0.2589 0.0067 0.0186 0.0143 103 LEU D CA 8274 C C . LEU D 103 ? 0.3403 0.3353 0.2810 0.0086 0.0212 0.0144 103 LEU D C 8275 O O . LEU D 103 ? 0.3249 0.3186 0.2623 0.0098 0.0231 0.0145 103 LEU D O 8276 C CB . LEU D 103 ? 0.3054 0.3028 0.2483 0.0058 0.0178 0.0157 103 LEU D CB 8277 C CG . LEU D 103 ? 0.3713 0.3677 0.3127 0.0040 0.0155 0.0158 103 LEU D CG 8278 C CD1 . LEU D 103 ? 0.2969 0.2968 0.2423 0.0031 0.0148 0.0173 103 LEU D CD1 8279 C CD2 . LEU D 103 ? 0.4101 0.4030 0.3451 0.0040 0.0157 0.0154 103 LEU D CD2 8280 N N . ILE D 104 ? 0.3159 0.3134 0.2615 0.0088 0.0211 0.0146 104 ILE D N 8281 C CA . ILE D 104 ? 0.3866 0.3854 0.3341 0.0104 0.0234 0.0149 104 ILE D CA 8282 C C . ILE D 104 ? 0.3558 0.3511 0.2992 0.0116 0.0247 0.0137 104 ILE D C 8283 O O . ILE D 104 ? 0.3471 0.3424 0.2895 0.0132 0.0271 0.0140 104 ILE D O 8284 C CB . ILE D 104 ? 0.4290 0.4306 0.3822 0.0103 0.0228 0.0152 104 ILE D CB 8285 C CG1 . ILE D 104 ? 0.3807 0.3858 0.3380 0.0093 0.0219 0.0165 104 ILE D CG1 8286 C CG2 . ILE D 104 ? 0.3387 0.3415 0.2937 0.0119 0.0250 0.0155 104 ILE D CG2 8287 C CD1 . ILE D 104 ? 0.3954 0.4032 0.3581 0.0092 0.0214 0.0169 104 ILE D CD1 8288 N N . VAL D 105 ? 0.3183 0.3108 0.2594 0.0110 0.0233 0.0123 105 VAL D N 8289 C CA . VAL D 105 ? 0.3115 0.3004 0.2486 0.0120 0.0245 0.0110 105 VAL D CA 8290 C C . VAL D 105 ? 0.3185 0.3048 0.2501 0.0128 0.0259 0.0110 105 VAL D C 8291 O O . VAL D 105 ? 0.3148 0.3000 0.2445 0.0144 0.0282 0.0108 105 VAL D O 8292 C CB . VAL D 105 ? 0.3064 0.2925 0.2418 0.0110 0.0224 0.0096 105 VAL D CB 8293 C CG1 . VAL D 105 ? 0.3662 0.3482 0.2966 0.0120 0.0234 0.0083 105 VAL D CG1 8294 C CG2 . VAL D 105 ? 0.3390 0.3274 0.2796 0.0106 0.0214 0.0096 105 VAL D CG2 8295 N N . ALA D 106 ? 0.4003 0.3856 0.3292 0.0115 0.0245 0.0111 106 ALA D N 8296 C CA . ALA D 106 ? 0.3383 0.3212 0.2618 0.0120 0.0257 0.0112 106 ALA D CA 8297 C C . ALA D 106 ? 0.3394 0.3248 0.2644 0.0135 0.0283 0.0125 106 ALA D C 8298 O O . ALA D 106 ? 0.3331 0.3164 0.2543 0.0149 0.0304 0.0123 106 ALA D O 8299 C CB . ALA D 106 ? 0.3289 0.3113 0.2506 0.0103 0.0236 0.0114 106 ALA D CB 8300 N N . ASN D 107 ? 0.3311 0.3209 0.2617 0.0132 0.0280 0.0138 107 ASN D N 8301 C CA . ASN D 107 ? 0.3339 0.3264 0.2664 0.0145 0.0303 0.0153 107 ASN D CA 8302 C C . ASN D 107 ? 0.3409 0.3333 0.2742 0.0164 0.0327 0.0152 107 ASN D C 8303 O O . ASN D 107 ? 0.3407 0.3333 0.2728 0.0178 0.0351 0.0160 107 ASN D O 8304 C CB . ASN D 107 ? 0.3493 0.3464 0.2879 0.0137 0.0294 0.0167 107 ASN D CB 8305 C CG . ASN D 107 ? 0.3486 0.3484 0.2889 0.0147 0.0314 0.0184 107 ASN D CG 8306 O OD1 . ASN D 107 ? 0.3942 0.3926 0.3306 0.0153 0.0326 0.0188 107 ASN D OD1 8307 N ND2 . ASN D 107 ? 0.3223 0.3259 0.2683 0.0149 0.0316 0.0196 107 ASN D ND2 8308 N N . ILE D 108 ? 0.3356 0.3278 0.2710 0.0164 0.0321 0.0144 108 ILE D N 8309 C CA . ILE D 108 ? 0.3245 0.3166 0.2607 0.0181 0.0343 0.0142 108 ILE D CA 8310 C C . ILE D 108 ? 0.3767 0.3641 0.3065 0.0191 0.0357 0.0130 108 ILE D C 8311 O O . ILE D 108 ? 0.3212 0.3082 0.2499 0.0209 0.0384 0.0135 108 ILE D O 8312 C CB . ILE D 108 ? 0.3405 0.3333 0.2804 0.0177 0.0331 0.0135 108 ILE D CB 8313 C CG1 . ILE D 108 ? 0.2975 0.2949 0.2438 0.0168 0.0320 0.0148 108 ILE D CG1 8314 C CG2 . ILE D 108 ? 0.3624 0.3544 0.3023 0.0194 0.0352 0.0132 108 ILE D CG2 8315 C CD1 . ILE D 108 ? 0.2812 0.2796 0.2313 0.0165 0.0309 0.0142 108 ILE D CD1 8316 N N . SER D 109 ? 0.3431 0.3270 0.2686 0.0180 0.0340 0.0116 109 SER D N 8317 C CA . SER D 109 ? 0.3484 0.3274 0.2674 0.0188 0.0350 0.0103 109 SER D CA 8318 C C . SER D 109 ? 0.3981 0.3762 0.3134 0.0199 0.0371 0.0111 109 SER D C 8319 O O . SER D 109 ? 0.3831 0.3593 0.2957 0.0217 0.0397 0.0109 109 SER D O 8320 C CB . SER D 109 ? 0.3651 0.3409 0.2804 0.0171 0.0323 0.0090 109 SER D CB 8321 O OG . SER D 109 ? 0.3275 0.2983 0.2365 0.0177 0.0330 0.0076 109 SER D OG 8322 N N . MET D 110 ? 0.3987 0.3781 0.3137 0.0189 0.0362 0.0119 110 MET D N 8323 C CA . MET D 110 ? 0.3882 0.3667 0.2994 0.0197 0.0379 0.0127 110 MET D CA 8324 C C . MET D 110 ? 0.4248 0.4062 0.3391 0.0216 0.0409 0.0141 110 MET D C 8325 O O . MET D 110 ? 0.4384 0.4178 0.3489 0.0231 0.0434 0.0143 110 MET D O 8326 C CB . MET D 110 ? 0.3339 0.3138 0.2452 0.0180 0.0360 0.0135 110 MET D CB 8327 C CG . MET D 110 ? 0.4611 0.4398 0.3680 0.0186 0.0375 0.0141 110 MET D CG 8328 S SD . MET D 110 ? 0.7247 0.7089 0.6371 0.0195 0.0393 0.0166 110 MET D SD 8329 C CE . MET D 110 ? 0.6039 0.5858 0.5100 0.0200 0.0408 0.0171 110 MET D CE 8330 N N . ASN D 111 ? 0.3952 0.3810 0.3162 0.0215 0.0407 0.0153 111 ASN D N 8331 C CA . ASN D 111 ? 0.3968 0.3858 0.3213 0.0231 0.0433 0.0169 111 ASN D CA 8332 C C . ASN D 111 ? 0.4330 0.4207 0.3575 0.0250 0.0455 0.0165 111 ASN D C 8333 O O . ASN D 111 ? 0.4195 0.4080 0.3443 0.0267 0.0483 0.0176 111 ASN D O 8334 C CB . ASN D 111 ? 0.3229 0.3170 0.2546 0.0223 0.0421 0.0184 111 ASN D CB 8335 C CG . ASN D 111 ? 0.3827 0.3789 0.3150 0.0213 0.0412 0.0196 111 ASN D CG 8336 O OD1 . ASN D 111 ? 0.4431 0.4401 0.3746 0.0222 0.0431 0.0208 111 ASN D OD1 8337 N ND2 . ASN D 111 ? 0.3309 0.3279 0.2647 0.0193 0.0384 0.0193 111 ASN D ND2 8338 N N . LEU D 112 ? 0.3818 0.3676 0.3060 0.0246 0.0444 0.0150 112 LEU D N 8339 C CA . LEU D 112 ? 0.4139 0.3979 0.3373 0.0263 0.0464 0.0144 112 LEU D CA 8340 C C . LEU D 112 ? 0.4169 0.3960 0.3330 0.0274 0.0482 0.0135 112 LEU D C 8341 O O . LEU D 112 ? 0.3693 0.3476 0.2844 0.0294 0.0511 0.0138 112 LEU D O 8342 C CB . LEU D 112 ? 0.3709 0.3541 0.2959 0.0255 0.0446 0.0130 112 LEU D CB 8343 C CG . LEU D 112 ? 0.4237 0.4048 0.3479 0.0271 0.0465 0.0123 112 LEU D CG 8344 C CD1 . LEU D 112 ? 0.3802 0.3645 0.3085 0.0288 0.0492 0.0140 112 LEU D CD1 8345 C CD2 . LEU D 112 ? 0.3899 0.3707 0.3162 0.0262 0.0445 0.0111 112 LEU D CD2 8346 N N . LYS D 113 ? 0.4503 0.4263 0.3615 0.0262 0.0465 0.0123 113 LYS D N 8347 C CA . LYS D 113 ? 0.5078 0.4788 0.4114 0.0270 0.0478 0.0113 113 LYS D CA 8348 C C . LYS D 113 ? 0.5283 0.5002 0.4307 0.0285 0.0506 0.0128 113 LYS D C 8349 O O . LYS D 113 ? 0.4794 0.4485 0.3780 0.0303 0.0533 0.0126 113 LYS D O 8350 C CB . LYS D 113 ? 0.4859 0.4538 0.3849 0.0251 0.0451 0.0100 113 LYS D CB 8351 C CG . LYS D 113 ? 0.6057 0.5692 0.4971 0.0256 0.0462 0.0095 113 LYS D CG 8352 C CD . LYS D 113 ? 0.7002 0.6600 0.5868 0.0236 0.0433 0.0080 113 LYS D CD 8353 C CE . LYS D 113 ? 0.7968 0.7546 0.6781 0.0232 0.0433 0.0083 113 LYS D CE 8354 N NZ . LYS D 113 ? 0.7861 0.7487 0.6717 0.0223 0.0426 0.0100 113 LYS D NZ 8355 N N . GLU D 114 ? 0.4513 0.4271 0.3571 0.0277 0.0500 0.0144 114 GLU D N 8356 C CA . GLU D 114 ? 0.4517 0.4287 0.3569 0.0290 0.0524 0.0160 114 GLU D CA 8357 C C . GLU D 114 ? 0.4559 0.4354 0.3650 0.0312 0.0554 0.0173 114 GLU D C 8358 O O . GLU D 114 ? 0.4512 0.4299 0.3580 0.0329 0.0583 0.0182 114 GLU D O 8359 C CB . GLU D 114 ? 0.4387 0.4196 0.3472 0.0276 0.0509 0.0174 114 GLU D CB 8360 C CG . GLU D 114 ? 0.5636 0.5420 0.4673 0.0260 0.0487 0.0166 114 GLU D CG 8361 C CD . GLU D 114 ? 0.6912 0.6668 0.5887 0.0270 0.0507 0.0168 114 GLU D CD 8362 O OE1 . GLU D 114 ? 0.7226 0.7003 0.6215 0.0285 0.0532 0.0185 114 GLU D OE1 8363 O OE2 . GLU D 114 ? 0.6790 0.6502 0.5702 0.0262 0.0497 0.0154 114 GLU D OE2 8364 N N . SER D 115 ? 0.4510 0.4333 0.3659 0.0310 0.0547 0.0175 115 SER D N 8365 C CA . SER D 115 ? 0.4699 0.4543 0.3886 0.0328 0.0573 0.0187 115 SER D CA 8366 C C . SER D 115 ? 0.5118 0.4917 0.4258 0.0346 0.0596 0.0175 115 SER D C 8367 O O . SER D 115 ? 0.5428 0.5231 0.4572 0.0366 0.0627 0.0186 115 SER D O 8368 C CB . SER D 115 ? 0.4546 0.4426 0.3802 0.0320 0.0557 0.0190 115 SER D CB 8369 O OG . SER D 115 ? 0.4526 0.4449 0.3829 0.0307 0.0541 0.0204 115 SER D OG 8370 N N . LEU D 116 ? 0.3252 0.3010 0.2349 0.0338 0.0580 0.0153 116 LEU D N 8371 C CA . LEU D 116 ? 0.3135 0.2845 0.2182 0.0353 0.0599 0.0140 116 LEU D CA 8372 C C . LEU D 116 ? 0.4023 0.3703 0.3009 0.0366 0.0624 0.0141 116 LEU D C 8373 O O . LEU D 116 ? 0.4604 0.4265 0.3569 0.0387 0.0654 0.0143 116 LEU D O 8374 C CB . LEU D 116 ? 0.3423 0.3095 0.2436 0.0339 0.0574 0.0116 116 LEU D CB 8375 C CG . LEU D 116 ? 0.4283 0.3975 0.3348 0.0331 0.0557 0.0111 116 LEU D CG 8376 C CD1 . LEU D 116 ? 0.3928 0.3583 0.2958 0.0316 0.0530 0.0090 116 LEU D CD1 8377 C CD2 . LEU D 116 ? 0.3906 0.3603 0.2996 0.0351 0.0583 0.0116 116 LEU D CD2 8378 N N . TYR D 117 ? 0.4870 0.4545 0.3827 0.0354 0.0610 0.0142 117 TYR D N 8379 C CA . TYR D 117 ? 0.5070 0.4720 0.3971 0.0365 0.0631 0.0146 117 TYR D CA 8380 C C . TYR D 117 ? 0.5574 0.5259 0.4510 0.0384 0.0663 0.0169 117 TYR D C 8381 O O . TYR D 117 ? 0.5641 0.5302 0.4536 0.0403 0.0693 0.0172 117 TYR D O 8382 C CB . TYR D 117 ? 0.5186 0.4836 0.4063 0.0346 0.0608 0.0145 117 TYR D CB 8383 C CG . TYR D 117 ? 0.6019 0.5625 0.4844 0.0328 0.0580 0.0123 117 TYR D CG 8384 C CD1 . TYR D 117 ? 0.5481 0.5047 0.4277 0.0332 0.0579 0.0105 117 TYR D CD1 8385 C CD2 . TYR D 117 ? 0.6018 0.5623 0.4825 0.0308 0.0554 0.0122 117 TYR D CD2 8386 C CE1 . TYR D 117 ? 0.6469 0.5995 0.5219 0.0315 0.0553 0.0086 117 TYR D CE1 8387 C CE2 . TYR D 117 ? 0.6010 0.5576 0.4772 0.0292 0.0528 0.0104 117 TYR D CE2 8388 C CZ . TYR D 117 ? 0.6608 0.6134 0.5341 0.0295 0.0527 0.0086 117 TYR D CZ 8389 O OH . TYR D 117 ? 0.7199 0.6685 0.5887 0.0279 0.0501 0.0068 117 TYR D OH 8390 N N . GLU D 118 ? 0.5033 0.4774 0.4046 0.0380 0.0657 0.0185 118 GLU D N 8391 C CA . GLU D 118 ? 0.5312 0.5091 0.4368 0.0397 0.0684 0.0210 118 GLU D CA 8392 C C . GLU D 118 ? 0.5607 0.5376 0.4668 0.0419 0.0714 0.0211 118 GLU D C 8393 O O . GLU D 118 ? 0.6005 0.5772 0.5056 0.0440 0.0747 0.0224 118 GLU D O 8394 C CB . GLU D 118 ? 0.4696 0.4535 0.3832 0.0385 0.0667 0.0226 118 GLU D CB 8395 C CG . GLU D 118 ? 0.4601 0.4463 0.3743 0.0370 0.0650 0.0235 118 GLU D CG 8396 C CD . GLU D 118 ? 0.5063 0.4970 0.4272 0.0351 0.0622 0.0241 118 GLU D CD 8397 O OE1 . GLU D 118 ? 0.4332 0.4262 0.3593 0.0353 0.0620 0.0245 118 GLU D OE1 8398 O OE2 . GLU D 118 ? 0.5500 0.5418 0.4710 0.0334 0.0600 0.0243 118 GLU D OE2 8399 N N . LEU D 119 ? 0.5237 0.4999 0.4315 0.0416 0.0704 0.0199 119 LEU D N 8400 C CA . LEU D 119 ? 0.6062 0.5811 0.5145 0.0436 0.0730 0.0199 119 LEU D CA 8401 C C . LEU D 119 ? 0.6386 0.6079 0.5389 0.0453 0.0756 0.0188 119 LEU D C 8402 O O . LEU D 119 ? 0.6675 0.6365 0.5675 0.0476 0.0791 0.0200 119 LEU D O 8403 C CB . LEU D 119 ? 0.6081 0.5826 0.5186 0.0427 0.0711 0.0184 119 LEU D CB 8404 C CG . LEU D 119 ? 0.5622 0.5352 0.4731 0.0446 0.0735 0.0182 119 LEU D CG 8405 C CD1 . LEU D 119 ? 0.6439 0.6220 0.5624 0.0456 0.0750 0.0205 119 LEU D CD1 8406 C CD2 . LEU D 119 ? 0.6170 0.5875 0.5271 0.0436 0.0713 0.0160 119 LEU D CD2 8407 N N . ALA D 120 ? 0.5151 0.4798 0.4090 0.0442 0.0739 0.0166 120 ALA D N 8408 C CA . ALA D 120 ? 0.5282 0.4869 0.4139 0.0455 0.0759 0.0153 120 ALA D CA 8409 C C . ALA D 120 ? 0.5990 0.5575 0.4818 0.0468 0.0785 0.0168 120 ALA D C 8410 O O . ALA D 120 ? 0.5968 0.5514 0.4743 0.0488 0.0815 0.0165 120 ALA D O 8411 C CB . ALA D 120 ? 0.5061 0.4603 0.3860 0.0437 0.0730 0.0128 120 ALA D CB 8412 N N . ASN D 121 ? 0.6012 0.5640 0.4875 0.0458 0.0774 0.0184 121 ASN D N 8413 C CA . ASN D 121 ? 0.6324 0.5956 0.5166 0.0470 0.0798 0.0200 121 ASN D CA 8414 C C . ASN D 121 ? 0.6382 0.6044 0.5267 0.0495 0.0835 0.0222 121 ASN D C 8415 O O . ASN D 121 ? 0.6308 0.5955 0.5160 0.0514 0.0866 0.0232 121 ASN D O 8416 C CB . ASN D 121 ? 0.5698 0.5368 0.4566 0.0451 0.0774 0.0210 121 ASN D CB 8417 C CG . ASN D 121 ? 0.6123 0.5789 0.4956 0.0461 0.0794 0.0223 121 ASN D CG 8418 O OD1 . ASN D 121 ? 0.6035 0.5747 0.4916 0.0466 0.0805 0.0247 121 ASN D OD1 8419 N ND2 . ASN D 121 ? 0.6291 0.5902 0.5040 0.0463 0.0800 0.0208 121 ASN D ND2 8420 N N . GLN D 122 ? 0.6646 0.6349 0.5606 0.0494 0.0830 0.0232 122 GLN D N 8421 C CA . GLN D 122 ? 0.7523 0.7255 0.6529 0.0516 0.0863 0.0254 122 GLN D CA 8422 C C . GLN D 122 ? 0.8033 0.7722 0.7000 0.0538 0.0893 0.0245 122 GLN D C 8423 O O . GLN D 122 ? 0.8153 0.7850 0.7134 0.0561 0.0928 0.0262 122 GLN D O 8424 C CB . GLN D 122 ? 0.6937 0.6726 0.6033 0.0507 0.0847 0.0267 122 GLN D CB 8425 C CG . GLN D 122 ? 0.7515 0.7348 0.6654 0.0486 0.0819 0.0278 122 GLN D CG 8426 C CD . GLN D 122 ? 0.8025 0.7915 0.7253 0.0482 0.0811 0.0296 122 GLN D CD 8427 O OE1 . GLN D 122 ? 0.9100 0.9001 0.8362 0.0496 0.0829 0.0304 122 GLN D OE1 8428 N NE2 . GLN D 122 ? 0.8039 0.7965 0.7305 0.0462 0.0783 0.0302 122 GLN D NE2 8429 N N . ILE D 123 ? 0.6737 0.6377 0.5652 0.0531 0.0879 0.0218 123 ILE D N 8430 C CA . ILE D 123 ? 0.7040 0.6632 0.5911 0.0550 0.0904 0.0206 123 ILE D CA 8431 C C . ILE D 123 ? 0.7805 0.7349 0.6594 0.0565 0.0930 0.0202 123 ILE D C 8432 O O . ILE D 123 ? 0.8644 0.8169 0.7414 0.0590 0.0968 0.0208 123 ILE D O 8433 C CB . ILE D 123 ? 0.7034 0.6592 0.5882 0.0537 0.0879 0.0179 123 ILE D CB 8434 C CG1 . ILE D 123 ? 0.6756 0.6358 0.5686 0.0530 0.0864 0.0185 123 ILE D CG1 8435 C CG2 . ILE D 123 ? 0.7224 0.6720 0.6005 0.0555 0.0903 0.0163 123 ILE D CG2 8436 C CD1 . ILE D 123 ? 0.7337 0.6910 0.6253 0.0518 0.0840 0.0161 123 ILE D CD1 8437 N N . THR D 124 ? 0.6698 0.6222 0.5438 0.0549 0.0910 0.0192 124 THR D N 8438 C CA . THR D 124 ? 0.7079 0.6558 0.5739 0.0561 0.0931 0.0188 124 THR D CA 8439 C C . THR D 124 ? 0.6915 0.6423 0.5598 0.0582 0.0967 0.0215 124 THR D C 8440 O O . THR D 124 ? 0.7162 0.6639 0.5815 0.0597 0.0988 0.0215 124 THR D O 8441 C CB . THR D 124 ? 0.6571 0.6035 0.5187 0.0537 0.0900 0.0177 124 THR D CB 8442 O OG1 . THR D 124 ? 0.7127 0.6569 0.5730 0.0516 0.0864 0.0154 124 THR D OG1 8443 C CG2 . THR D 124 ? 0.6737 0.6147 0.5262 0.0548 0.0921 0.0170 124 THR D CG2 8444 N N . LYS D 125 ? 0.9026 0.8596 0.7779 0.0574 0.0958 0.0238 125 LYS D N 8445 C CA . LYS D 125 ? 0.9385 0.8992 0.8176 0.0589 0.0982 0.0265 125 LYS D CA 8446 C C . LYS D 125 ? 0.9817 0.9428 0.8646 0.0610 0.1009 0.0276 125 LYS D C 8447 O O . LYS D 125 ? 1.0034 0.9641 0.8860 0.0626 0.1031 0.0288 125 LYS D O 8448 C CB . LYS D 125 ? 0.8924 0.8598 0.7789 0.0576 0.0967 0.0287 125 LYS D CB 8449 C CG . LYS D 125 ? 0.9454 0.9181 0.8399 0.0591 0.0987 0.0316 125 LYS D CG 8450 C CD . LYS D 125 ? 1.0996 1.0741 0.9947 0.0598 0.1000 0.0337 125 LYS D CD 8451 C CE . LYS D 125 ? 1.0302 1.0107 0.9342 0.0606 0.1011 0.0368 125 LYS D CE 8452 N NZ . LYS D 125 ? 1.0412 1.0216 0.9488 0.0621 0.1027 0.0371 125 LYS D NZ 8453 N N . ARG D 126 ? 1.0190 0.9808 0.9053 0.0612 0.1006 0.0271 126 ARG D N 8454 C CA . ARG D 126 ? 1.0492 1.0120 0.9400 0.0631 0.1029 0.0283 126 ARG D CA 8455 C C . ARG D 126 ? 1.0712 1.0278 0.9558 0.0646 0.1049 0.0268 126 ARG D C 8456 O O . ARG D 126 ? 1.0910 1.0477 0.9773 0.0665 0.1073 0.0282 126 ARG D O 8457 C CB . ARG D 126 ? 1.0357 1.0013 0.9322 0.0626 0.1019 0.0284 126 ARG D CB 8458 C CG . ARG D 126 ? 1.1048 1.0670 1.0001 0.0637 0.1031 0.0270 126 ARG D CG 8459 C CD . ARG D 126 ? 1.1308 1.0966 1.0329 0.0633 0.1022 0.0275 126 ARG D CD 8460 N NE . ARG D 126 ? 1.0793 1.0510 0.9899 0.0640 0.1032 0.0306 126 ARG D NE 8461 C CZ . ARG D 126 ? 1.1274 1.1029 1.0446 0.0637 0.1026 0.0315 126 ARG D CZ 8462 N NH1 . ARG D 126 ? 1.1438 1.1176 1.0600 0.0629 0.1013 0.0296 126 ARG D NH1 8463 N NH2 . ARG D 126 ? 1.1395 1.1201 1.0643 0.0642 0.1033 0.0344 126 ARG D NH2 8464 N N . GLY D 127 ? 0.9720 0.9232 0.8493 0.0638 0.1037 0.0239 127 GLY D N 8465 C CA . GLY D 127 ? 0.9356 0.8805 0.8063 0.0651 0.1053 0.0224 127 GLY D CA 8466 C C . GLY D 127 ? 1.0058 0.9479 0.8702 0.0650 0.1054 0.0220 127 GLY D C 8467 O O . GLY D 127 ? 1.0895 1.0257 0.9461 0.0647 0.1050 0.0197 127 GLY D O 8468 N N . GLY D 128 ? 0.8474 0.7937 0.7153 0.0651 0.1060 0.0243 128 GLY D N 8469 C CA . GLY D 128 ? 0.9077 0.8524 0.7704 0.0645 0.1056 0.0242 128 GLY D CA 8470 C C . GLY D 128 ? 0.9260 0.8673 0.7846 0.0663 0.1082 0.0245 128 GLY D C 8471 O O . GLY D 128 ? 0.9624 0.9066 0.8258 0.0680 0.1105 0.0268 128 GLY D O 8472 N N . GLY D 129 ? 0.8951 0.8304 0.7451 0.0660 0.1078 0.0224 129 GLY D N 8473 C CA . GLY D 129 ? 0.8218 0.7539 0.6665 0.0639 0.1049 0.0198 129 GLY D CA 8474 C C . GLY D 129 ? 0.9040 0.8298 0.7432 0.0643 0.1050 0.0173 129 GLY D C 8475 O O . GLY D 129 ? 0.8580 0.7786 0.6896 0.0632 0.1036 0.0150 129 GLY D O 8476 N N . ILE D 130 ? 0.9163 0.8427 0.7595 0.0657 0.1066 0.0177 130 ILE D N 8477 C CA . ILE D 130 ? 0.9461 0.8670 0.7851 0.0662 0.1069 0.0154 130 ILE D CA 8478 C C . ILE D 130 ? 1.0025 0.9219 0.8394 0.0641 0.1037 0.0132 130 ILE D C 8479 O O . ILE D 130 ? 0.9381 0.8517 0.7685 0.0637 0.1028 0.0108 130 ILE D O 8480 C CB . ILE D 130 ? 0.9318 0.8546 0.7767 0.0682 0.1092 0.0167 130 ILE D CB 8481 C CG1 . ILE D 130 ? 0.9569 0.8806 0.8035 0.0704 0.1124 0.0189 130 ILE D CG1 8482 C CG2 . ILE D 130 ? 1.0312 0.9486 0.8722 0.0685 0.1092 0.0144 130 ILE D CG2 8483 C CD1 . ILE D 130 ? 0.9962 0.9160 0.8357 0.0707 0.1132 0.0184 130 ILE D CD1 8484 N N . ALA D 131 ? 1.3084 1.2332 1.1509 0.0628 0.1020 0.0142 131 ALA D N 8485 C CA . ALA D 131 ? 1.1820 1.1066 1.0240 0.0608 0.0990 0.0126 131 ALA D CA 8486 C C . ALA D 131 ? 1.2198 1.1383 1.0528 0.0593 0.0968 0.0099 131 ALA D C 8487 O O . ALA D 131 ? 1.3033 1.2174 1.1327 0.0590 0.0960 0.0078 131 ALA D O 8488 C CB . ALA D 131 ? 1.1970 1.1281 1.0451 0.0595 0.0976 0.0143 131 ALA D CB 8489 N N . GLN D 132 ? 1.1074 1.0257 0.9371 0.0582 0.0958 0.0102 132 GLN D N 8490 C CA . GLN D 132 ? 1.1383 1.0513 0.9596 0.0564 0.0934 0.0079 132 GLN D CA 8491 C C . GLN D 132 ? 1.1683 1.0811 0.9895 0.0544 0.0902 0.0065 132 GLN D C 8492 O O . GLN D 132 ? 1.1456 1.0562 0.9666 0.0544 0.0897 0.0050 132 GLN D O 8493 C CB . GLN D 132 ? 1.1496 1.0556 0.9639 0.0574 0.0945 0.0061 132 GLN D CB 8494 C CG . GLN D 132 ? 1.2337 1.1335 1.0396 0.0555 0.0917 0.0035 132 GLN D CG 8495 C CD . GLN D 132 ? 1.2988 1.1976 1.1000 0.0543 0.0905 0.0036 132 GLN D CD 8496 O OE1 . GLN D 132 ? 1.3374 1.2403 1.1417 0.0548 0.0917 0.0057 132 GLN D OE1 8497 N NE2 . GLN D 132 ? 1.2493 1.1426 1.0430 0.0526 0.0881 0.0015 132 GLN D NE2 8498 N N . GLU D 133 ? 0.8485 0.7638 0.6702 0.0524 0.0877 0.0069 133 GLU D N 8499 C CA . GLU D 133 ? 0.8471 0.7642 0.6723 0.0497 0.0833 0.0059 133 GLU D CA 8500 C C . GLU D 133 ? 0.8305 0.7412 0.6479 0.0480 0.0806 0.0033 133 GLU D C 8501 O O . GLU D 133 ? 0.8220 0.7287 0.6322 0.0476 0.0806 0.0027 133 GLU D O 8502 C CB . GLU D 133 ? 0.8771 0.8001 0.7079 0.0478 0.0810 0.0075 133 GLU D CB 8503 C CG . GLU D 133 ? 0.8026 0.7315 0.6398 0.0494 0.0836 0.0103 133 GLU D CG 8504 C CD . GLU D 133 ? 0.8592 0.7945 0.7035 0.0474 0.0809 0.0118 133 GLU D CD 8505 O OE1 . GLU D 133 ? 0.7891 0.7249 0.6349 0.0450 0.0771 0.0107 133 GLU D OE1 8506 O OE2 . GLU D 133 ? 0.9101 0.8499 0.7587 0.0483 0.0825 0.0141 133 GLU D OE2 8507 N N . ALA D 134 ? 0.9445 0.8543 0.7635 0.0469 0.0784 0.0018 134 ALA D N 8508 C CA . ALA D 134 ? 0.9260 0.8305 0.7390 0.0449 0.0752 -0.0005 134 ALA D CA 8509 C C . ALA D 134 ? 0.9626 0.8711 0.7810 0.0421 0.0708 -0.0005 134 ALA D C 8510 O O . ALA D 134 ? 0.9486 0.8563 0.7686 0.0411 0.0687 -0.0018 134 ALA D O 8511 C CB . ALA D 134 ? 0.9170 0.8164 0.7264 0.0460 0.0762 -0.0024 134 ALA D CB 8512 N N . GLY D 135 ? 1.0127 0.9254 0.8342 0.0409 0.0696 0.0010 135 GLY D N 8513 C CA . GLY D 135 ? 1.0082 0.9257 0.8362 0.0386 0.0660 0.0014 135 GLY D CA 8514 C C . GLY D 135 ? 0.9622 0.8862 0.7996 0.0395 0.0671 0.0031 135 GLY D C 8515 O O . GLY D 135 ? 0.9988 0.9230 0.8375 0.0418 0.0704 0.0036 135 GLY D O 8516 N N . PRO D 136 ? 0.6690 0.5983 0.5130 0.0376 0.0644 0.0040 136 PRO D N 8517 C CA . PRO D 136 ? 0.6512 0.5868 0.5043 0.0382 0.0652 0.0057 136 PRO D CA 8518 C C . PRO D 136 ? 0.5781 0.5134 0.4342 0.0390 0.0657 0.0049 136 PRO D C 8519 O O . PRO D 136 ? 0.5413 0.4741 0.3960 0.0377 0.0633 0.0032 136 PRO D O 8520 C CB . PRO D 136 ? 0.6433 0.5830 0.5011 0.0357 0.0615 0.0063 136 PRO D CB 8521 C CG . PRO D 136 ? 0.6219 0.5571 0.4741 0.0337 0.0585 0.0044 136 PRO D CG 8522 C CD . PRO D 136 ? 0.6683 0.5976 0.5115 0.0349 0.0604 0.0035 136 PRO D CD 8523 N N . GLY D 137 ? 0.6657 0.6037 0.5259 0.0412 0.0687 0.0063 137 GLY D N 8524 C CA . GLY D 137 ? 0.6689 0.6070 0.5324 0.0421 0.0694 0.0058 137 GLY D CA 8525 C C . GLY D 137 ? 0.6590 0.5907 0.5157 0.0435 0.0712 0.0040 137 GLY D C 8526 O O . GLY D 137 ? 0.6926 0.6233 0.5507 0.0437 0.0709 0.0030 137 GLY D O 8527 N N . CYS D 138 ? 0.7995 0.7269 0.6489 0.0444 0.0729 0.0036 138 CYS D N 8528 C CA . CYS D 138 ? 0.8118 0.7327 0.6541 0.0459 0.0749 0.0020 138 CYS D CA 8529 C C . CYS D 138 ? 0.8644 0.7833 0.7022 0.0482 0.0788 0.0029 138 CYS D C 8530 O O . CYS D 138 ? 0.8355 0.7554 0.6717 0.0478 0.0789 0.0038 138 CYS D O 8531 C CB . CYS D 138 ? 0.8093 0.7246 0.6446 0.0440 0.0719 -0.0004 138 CYS D CB 8532 S SG . CYS D 138 ? 0.8362 0.7517 0.6750 0.0419 0.0681 -0.0019 138 CYS D SG 8533 N N . TRP D 139 ? 0.7513 0.6673 0.5871 0.0506 0.0822 0.0026 139 TRP D N 8534 C CA . TRP D 139 ? 0.7845 0.6984 0.6160 0.0530 0.0863 0.0035 139 TRP D CA 8535 C C . TRP D 139 ? 0.8179 0.7246 0.6417 0.0546 0.0884 0.0016 139 TRP D C 8536 O O . TRP D 139 ? 0.7650 0.6703 0.5900 0.0552 0.0887 0.0007 139 TRP D O 8537 C CB . TRP D 139 ? 0.7132 0.6328 0.5522 0.0550 0.0893 0.0061 139 TRP D CB 8538 C CG . TRP D 139 ? 0.7190 0.6456 0.5654 0.0537 0.0877 0.0081 139 TRP D CG 8539 C CD1 . TRP D 139 ? 0.7550 0.6843 0.6018 0.0539 0.0886 0.0099 139 TRP D CD1 8540 C CD2 . TRP D 139 ? 0.6663 0.5981 0.5206 0.0519 0.0848 0.0085 139 TRP D CD2 8541 N NE1 . TRP D 139 ? 0.6850 0.6207 0.5395 0.0524 0.0865 0.0114 139 TRP D NE1 8542 C CE2 . TRP D 139 ? 0.6794 0.6167 0.5386 0.0512 0.0841 0.0106 139 TRP D CE2 8543 C CE3 . TRP D 139 ? 0.6884 0.6206 0.5460 0.0510 0.0827 0.0074 139 TRP D CE3 8544 C CZ2 . TRP D 139 ? 0.6075 0.5504 0.4745 0.0495 0.0815 0.0115 139 TRP D CZ2 8545 C CZ3 . TRP D 139 ? 0.6647 0.6026 0.5301 0.0493 0.0802 0.0083 139 TRP D CZ3 8546 C CH2 . TRP D 139 ? 0.6354 0.5785 0.5054 0.0486 0.0796 0.0103 139 TRP D CH2 8547 N N . TYR D 140 ? 0.8397 0.7423 0.6569 0.0550 0.0893 0.0012 140 TYR D N 8548 C CA . TYR D 140 ? 0.8341 0.7312 0.6467 0.0565 0.0911 0.0001 140 TYR D CA 8549 C C . TYR D 140 ? 0.8850 0.7848 0.7019 0.0590 0.0948 0.0022 140 TYR D C 8550 O O . TYR D 140 ? 0.9458 0.8455 0.7609 0.0596 0.0962 0.0032 140 TYR D O 8551 C CB . TYR D 140 ? 0.8106 0.7017 0.6141 0.0555 0.0899 -0.0015 140 TYR D CB 8552 C CG . TYR D 140 ? 0.7692 0.6559 0.5675 0.0534 0.0865 -0.0039 140 TYR D CG 8553 C CD1 . TYR D 140 ? 0.7751 0.6586 0.5726 0.0535 0.0861 -0.0056 140 TYR D CD1 8554 C CD2 . TYR D 140 ? 0.6991 0.5849 0.4935 0.0512 0.0836 -0.0045 140 TYR D CD2 8555 C CE1 . TYR D 140 ? 0.7956 0.6751 0.5885 0.0515 0.0828 -0.0078 140 TYR D CE1 8556 C CE2 . TYR D 140 ? 0.8105 0.6923 0.6004 0.0491 0.0803 -0.0066 140 TYR D CE2 8557 C CZ . TYR D 140 ? 0.8336 0.7123 0.6228 0.0493 0.0799 -0.0082 140 TYR D CZ 8558 O OH . TYR D 140 ? 0.7505 0.6253 0.5355 0.0472 0.0764 -0.0102 140 TYR D OH 8559 N N . VAL D 141 ? 0.9486 0.8509 0.7713 0.0603 0.0963 0.0029 141 VAL D N 8560 C CA . VAL D 141 ? 1.0576 0.9607 0.8831 0.0627 0.0998 0.0045 141 VAL D CA 8561 C C . VAL D 141 ? 1.0993 0.9956 0.9188 0.0637 0.1008 0.0026 141 VAL D C 8562 O O . VAL D 141 ? 1.1084 1.0009 0.9246 0.0628 0.0991 0.0005 141 VAL D O 8563 C CB . VAL D 141 ? 1.0645 0.9736 0.8994 0.0637 0.1010 0.0063 141 VAL D CB 8564 C CG1 . VAL D 141 ? 1.1131 1.0204 0.9488 0.0635 0.1002 0.0048 141 VAL D CG1 8565 C CG2 . VAL D 141 ? 1.0058 0.9166 0.8441 0.0661 0.1045 0.0085 141 VAL D CG2 8566 N N . ASP D 142 ? 1.3308 1.2254 1.1487 0.0656 0.1037 0.0035 142 ASP D N 8567 C CA . ASP D 142 ? 1.4438 1.3314 1.2551 0.0665 0.1047 0.0018 142 ASP D CA 8568 C C . ASP D 142 ? 1.4347 1.3230 1.2499 0.0691 0.1081 0.0031 142 ASP D C 8569 O O . ASP D 142 ? 1.3933 1.2866 1.2147 0.0703 0.1101 0.0056 142 ASP D O 8570 C CB . ASP D 142 ? 1.4830 1.3662 1.2866 0.0663 0.1047 0.0011 142 ASP D CB 8571 C CG . ASP D 142 ? 1.5461 1.4217 1.3422 0.0672 0.1057 -0.0007 142 ASP D CG 8572 O OD1 . ASP D 142 ? 1.5362 1.4095 1.3326 0.0683 0.1068 -0.0014 142 ASP D OD1 8573 O OD2 . ASP D 142 ? 1.5854 1.4572 1.3748 0.0666 0.1051 -0.0016 142 ASP D OD2 8574 N N . SER D 143 ? 1.5305 1.4132 1.3413 0.0698 0.1087 0.0015 143 SER D N 8575 C CA . SER D 143 ? 1.5664 1.4491 1.3807 0.0718 0.1113 0.0023 143 SER D CA 8576 C C . SER D 143 ? 1.5967 1.4804 1.4130 0.0743 0.1150 0.0045 143 SER D C 8577 O O . SER D 143 ? 1.6635 1.5433 1.4776 0.0759 0.1170 0.0042 143 SER D O 8578 C CB . SER D 143 ? 1.5672 1.4427 1.3750 0.0719 0.1110 -0.0002 143 SER D CB 8579 O OG . SER D 143 ? 1.4759 1.3456 1.2753 0.0719 0.1112 -0.0014 143 SER D OG 8580 N N . GLU D 144 ? 1.6660 1.5544 1.4860 0.0746 0.1159 0.0068 144 GLU D N 8581 C CA . GLU D 144 ? 1.6476 1.5368 1.4696 0.0770 0.1194 0.0090 144 GLU D CA 8582 C C . GLU D 144 ? 1.6476 1.5442 1.4777 0.0776 0.1206 0.0121 144 GLU D C 8583 O O . GLU D 144 ? 1.6122 1.5124 1.4491 0.0787 0.1218 0.0138 144 GLU D O 8584 C CB . GLU D 144 ? 1.6604 1.5440 1.4741 0.0776 0.1205 0.0081 144 GLU D CB 8585 C CG . GLU D 144 ? 1.6850 1.5641 1.4961 0.0798 0.1234 0.0081 144 GLU D CG 8586 C CD . GLU D 144 ? 1.7293 1.6002 1.5302 0.0795 0.1229 0.0055 144 GLU D CD 8587 O OE1 . GLU D 144 ? 1.7779 1.6462 1.5739 0.0800 0.1240 0.0056 144 GLU D OE1 8588 O OE2 . GLU D 144 ? 1.6382 1.5054 1.4362 0.0786 0.1213 0.0032 144 GLU D OE2 8589 N N . ASN D 145 ? 1.5279 1.4264 1.3570 0.0771 0.1202 0.0130 145 ASN D N 8590 C CA . ASN D 145 ? 1.5612 1.4666 1.3978 0.0775 0.1210 0.0160 145 ASN D CA 8591 C C . ASN D 145 ? 1.5060 1.4175 1.3517 0.0773 0.1205 0.0175 145 ASN D C 8592 O O . ASN D 145 ? 1.4704 1.3870 1.3230 0.0784 0.1221 0.0203 145 ASN D O 8593 C CB . ASN D 145 ? 1.5182 1.4252 1.3527 0.0758 0.1190 0.0159 145 ASN D CB 8594 C CG . ASN D 145 ? 1.5106 1.4178 1.3435 0.0769 0.1210 0.0175 145 ASN D CG 8595 O OD1 . ASN D 145 ? 1.4676 1.3801 1.3069 0.0778 0.1224 0.0202 145 ASN D OD1 8596 N ND2 . ASN D 145 ? 1.5027 1.4043 1.3272 0.0767 0.1210 0.0159 145 ASN D ND2 8597 N N . CYS D 146 ? 1.5341 1.4449 1.3795 0.0758 0.1182 0.0156 146 CYS D N 8598 C CA . CYS D 146 ? 1.4902 1.4060 1.3432 0.0751 0.1170 0.0164 146 CYS D CA 8599 C C . CYS D 146 ? 1.4431 1.3554 1.2953 0.0758 0.1175 0.0150 146 CYS D C 8600 O O . CYS D 146 ? 1.4578 1.3641 1.3029 0.0754 0.1167 0.0124 146 CYS D O 8601 C CB . CYS D 146 ? 1.3834 1.3010 1.2360 0.0727 0.1137 0.0152 146 CYS D CB 8602 S SG . CYS D 146 ? 1.2705 1.1962 1.1328 0.0715 0.1121 0.0170 146 CYS D SG 8603 N N . ASP D 147 ? 1.4716 1.3874 1.3308 0.0769 0.1188 0.0166 147 ASP D N 8604 C CA . ASP D 147 ? 1.4484 1.3610 1.3072 0.0775 0.1193 0.0154 147 ASP D CA 8605 C C . ASP D 147 ? 1.4309 1.3459 1.2935 0.0760 0.1169 0.0144 147 ASP D C 8606 O O . ASP D 147 ? 1.4487 1.3597 1.3064 0.0749 0.1150 0.0118 147 ASP D O 8607 C CB . ASP D 147 ? 1.3980 1.3115 1.2610 0.0799 0.1225 0.0176 147 ASP D CB 8608 C CG . ASP D 147 ? 1.4544 1.3746 1.3251 0.0806 0.1237 0.0210 147 ASP D CG 8609 O OD1 . ASP D 147 ? 1.4843 1.4097 1.3599 0.0792 0.1218 0.0218 147 ASP D OD1 8610 O OD2 . ASP D 147 ? 1.3560 1.2760 1.2277 0.0825 0.1265 0.0228 147 ASP D OD2 8611 N N . ALA D 148 ? 1.2810 1.2023 1.1522 0.0760 0.1169 0.0166 148 ALA D N 8612 C CA . ALA D 148 ? 1.2086 1.1324 1.0838 0.0746 0.1146 0.0158 148 ALA D CA 8613 C C . ALA D 148 ? 1.2338 1.1653 1.1178 0.0742 0.1142 0.0184 148 ALA D C 8614 O O . ALA D 148 ? 1.2566 1.1910 1.1428 0.0725 0.1118 0.0179 148 ALA D O 8615 C CB . ALA D 148 ? 1.1599 1.0814 1.0359 0.0755 0.1155 0.0151 148 ALA D CB 8616 N N . SER D 149 ? 1.2822 1.2170 1.1712 0.0757 0.1164 0.0212 149 SER D N 8617 C CA . SER D 149 ? 1.2949 1.2368 1.1921 0.0752 0.1160 0.0239 149 SER D CA 8618 C C . SER D 149 ? 1.3417 1.2849 1.2367 0.0743 0.1151 0.0242 149 SER D C 8619 O O . SER D 149 ? 1.2940 1.2427 1.1945 0.0735 0.1142 0.0260 149 SER D O 8620 C CB . SER D 149 ? 1.2303 1.1750 1.1333 0.0771 0.1186 0.0269 149 SER D CB 8621 O OG . SER D 149 ? 1.2341 1.1857 1.1457 0.0765 0.1178 0.0293 149 SER D OG 8622 N N . CYS D 150 ? 1.1488 1.0866 1.0356 0.0744 0.1153 0.0224 150 CYS D N 8623 C CA . CYS D 150 ? 1.1111 1.0493 0.9947 0.0735 0.1144 0.0224 150 CYS D CA 8624 C C . CYS D 150 ? 1.0291 0.9673 0.9106 0.0712 0.1112 0.0204 150 CYS D C 8625 O O . CYS D 150 ? 0.9580 0.8998 0.8414 0.0699 0.1098 0.0212 150 CYS D O 8626 C CB . CYS D 150 ? 1.1329 1.0653 1.0085 0.0745 0.1159 0.0213 150 CYS D CB 8627 S SG . CYS D 150 ? 1.2307 1.1632 1.1020 0.0734 0.1150 0.0214 150 CYS D SG 8628 N N . LYS D 151 ? 1.2557 1.1897 1.1332 0.0706 0.1101 0.0178 151 LYS D N 8629 C CA . LYS D 151 ? 1.2697 1.2041 1.1464 0.0685 0.1071 0.0161 151 LYS D CA 8630 C C . LYS D 151 ? 1.2615 1.2027 1.1469 0.0678 0.1062 0.0180 151 LYS D C 8631 O O . LYS D 151 ? 1.2461 1.1905 1.1331 0.0662 0.1042 0.0182 151 LYS D O 8632 C CB . LYS D 151 ? 1.2527 1.1819 1.1248 0.0681 0.1061 0.0133 151 LYS D CB 8633 C CG . LYS D 151 ? 1.2310 1.1528 1.0941 0.0686 0.1067 0.0112 151 LYS D CG 8634 C CD . LYS D 151 ? 1.2998 1.2201 1.1581 0.0685 0.1070 0.0115 151 LYS D CD 8635 C CE . LYS D 151 ? 1.4462 1.3598 1.2972 0.0697 0.1085 0.0100 151 LYS D CE 8636 N NZ . LYS D 151 ? 1.4688 1.3832 1.3235 0.0720 0.1117 0.0118 151 LYS D NZ 8637 N N . GLU D 152 ? 1.1699 1.1133 1.0611 0.0690 0.1076 0.0193 152 GLU D N 8638 C CA . GLU D 152 ? 1.1134 1.0632 1.0133 0.0685 0.1069 0.0212 152 GLU D CA 8639 C C . GLU D 152 ? 1.1064 1.0614 1.0106 0.0682 0.1069 0.0237 152 GLU D C 8640 O O . GLU D 152 ? 1.1628 1.1228 1.0726 0.0670 0.1054 0.0248 152 GLU D O 8641 C CB . GLU D 152 ? 1.1006 1.0514 1.0055 0.0701 0.1088 0.0225 152 GLU D CB 8642 C CG . GLU D 152 ? 1.0924 1.0493 1.0060 0.0695 0.1079 0.0242 152 GLU D CG 8643 C CD . GLU D 152 ? 1.1194 1.0762 1.0328 0.0678 0.1053 0.0223 152 GLU D CD 8644 O OE1 . GLU D 152 ? 1.1174 1.0690 1.0247 0.0676 0.1048 0.0196 152 GLU D OE1 8645 O OE2 . GLU D 152 ? 1.1361 1.0981 1.0553 0.0667 0.1038 0.0234 152 GLU D OE2 8646 N N . TYR D 153 ? 1.1092 1.0629 1.0106 0.0692 0.1085 0.0245 153 TYR D N 8647 C CA . TYR D 153 ? 1.0785 1.0366 0.9830 0.0688 0.1085 0.0267 153 TYR D CA 8648 C C . TYR D 153 ? 1.0572 1.0150 0.9579 0.0669 0.1060 0.0253 153 TYR D C 8649 O O . TYR D 153 ? 1.0071 0.9696 0.9124 0.0656 0.1044 0.0263 153 TYR D O 8650 C CB . TYR D 153 ? 1.0401 0.9967 0.9426 0.0706 0.1110 0.0280 153 TYR D CB 8651 C CG . TYR D 153 ? 1.0993 1.0604 1.0050 0.0703 0.1110 0.0304 153 TYR D CG 8652 C CD1 . TYR D 153 ? 1.0939 1.0531 0.9942 0.0698 0.1107 0.0298 153 TYR D CD1 8653 C CD2 . TYR D 153 ? 1.0855 1.0528 0.9999 0.0704 0.1111 0.0332 153 TYR D CD2 8654 C CE1 . TYR D 153 ? 1.0757 1.0391 0.9791 0.0695 0.1106 0.0319 153 TYR D CE1 8655 C CE2 . TYR D 153 ? 1.0810 1.0525 0.9986 0.0700 0.1109 0.0354 153 TYR D CE2 8656 C CZ . TYR D 153 ? 1.0618 1.0313 0.9739 0.0697 0.1107 0.0347 153 TYR D CZ 8657 O OH . TYR D 153 ? 1.1317 1.1054 1.0470 0.0693 0.1106 0.0369 153 TYR D OH 8658 N N . ILE D 154 ? 1.0448 0.9969 0.9370 0.0667 0.1058 0.0231 154 ILE D N 8659 C CA . ILE D 154 ? 1.0146 0.9658 0.9024 0.0649 0.1036 0.0218 154 ILE D CA 8660 C C . ILE D 154 ? 1.0118 0.9643 0.9009 0.0630 0.1009 0.0205 154 ILE D C 8661 O O . ILE D 154 ? 0.9187 0.8748 0.8104 0.0613 0.0987 0.0211 154 ILE D O 8662 C CB . ILE D 154 ? 1.0073 0.9516 0.8854 0.0649 0.1037 0.0195 154 ILE D CB 8663 C CG1 . ILE D 154 ? 0.9994 0.9421 0.8758 0.0668 0.1064 0.0206 154 ILE D CG1 8664 C CG2 . ILE D 154 ? 0.9635 0.9072 0.8374 0.0630 0.1012 0.0184 154 ILE D CG2 8665 C CD1 . ILE D 154 ? 0.9621 0.8978 0.8290 0.0670 0.1067 0.0184 154 ILE D CD1 8666 N N . PHE D 155 ? 0.9632 0.9128 0.8510 0.0631 0.1005 0.0187 155 PHE D N 8667 C CA . PHE D 155 ? 0.9110 0.8607 0.7996 0.0607 0.0966 0.0169 155 PHE D CA 8668 C C . PHE D 155 ? 1.0061 0.9607 0.9032 0.0601 0.0953 0.0178 155 PHE D C 8669 O O . PHE D 155 ? 0.9703 0.9254 0.8690 0.0580 0.0919 0.0165 155 PHE D O 8670 C CB . PHE D 155 ? 0.9618 0.9047 0.8429 0.0606 0.0961 0.0139 155 PHE D CB 8671 C CG . PHE D 155 ? 0.9769 0.9147 0.8492 0.0606 0.0963 0.0126 155 PHE D CG 8672 C CD1 . PHE D 155 ? 0.9301 0.8669 0.7995 0.0581 0.0927 0.0112 155 PHE D CD1 8673 C CD2 . PHE D 155 ? 0.9707 0.9050 0.8387 0.0626 0.0994 0.0128 155 PHE D CD2 8674 C CE1 . PHE D 155 ? 0.9047 0.8368 0.7660 0.0579 0.0928 0.0100 155 PHE D CE1 8675 C CE2 . PHE D 155 ? 0.9780 0.9077 0.8383 0.0622 0.0991 0.0115 155 PHE D CE2 8676 C CZ . PHE D 155 ? 0.9501 0.8784 0.8061 0.0602 0.0964 0.0101 155 PHE D CZ 8677 N N . ASN D 156 ? 1.0487 1.0068 0.9512 0.0619 0.0981 0.0202 156 ASN D N 8678 C CA . ASN D 156 ? 1.0087 0.9708 0.9188 0.0617 0.0975 0.0212 156 ASN D CA 8679 C C . ASN D 156 ? 1.0371 0.9959 0.9457 0.0613 0.0963 0.0189 156 ASN D C 8680 O O . ASN D 156 ? 1.0179 0.9791 0.9304 0.0593 0.0931 0.0184 156 ASN D O 8681 C CB . ASN D 156 ? 1.0140 0.9817 0.9308 0.0594 0.0942 0.0222 156 ASN D CB 8682 C CG . ASN D 156 ? 1.0193 0.9923 0.9446 0.0600 0.0950 0.0246 156 ASN D CG 8683 O OD1 . ASN D 156 ? 1.1190 1.0912 1.0457 0.0616 0.0970 0.0248 156 ASN D OD1 8684 N ND2 . ASN D 156 ? 0.9468 0.9252 0.8781 0.0583 0.0926 0.0260 156 ASN D ND2 8685 N N . PHE D 157 ? 1.2438 1.1974 1.1472 0.0631 0.0988 0.0177 157 PHE D N 8686 C CA . PHE D 157 ? 1.2632 1.2129 1.1644 0.0629 0.0978 0.0154 157 PHE D CA 8687 C C . PHE D 157 ? 1.2300 1.1727 1.1216 0.0628 0.0975 0.0127 157 PHE D C 8688 O O . PHE D 157 ? 1.1842 1.1254 1.0713 0.0619 0.0966 0.0122 157 PHE D O 8689 C CB . PHE D 157 ? 1.1891 1.1418 1.0953 0.0605 0.0938 0.0147 157 PHE D CB 8690 C CG . PHE D 157 ? 1.2689 1.2267 1.1836 0.0609 0.0942 0.0166 157 PHE D CG 8691 C CD1 . PHE D 157 ? 1.2591 1.2227 1.1805 0.0612 0.0951 0.0195 157 PHE D CD1 8692 C CD2 . PHE D 157 ? 1.3601 1.3167 1.2763 0.0609 0.0937 0.0155 157 PHE D CD2 8693 C CE1 . PHE D 157 ? 1.2655 1.2335 1.1946 0.0614 0.0953 0.0212 157 PHE D CE1 8694 C CE2 . PHE D 157 ? 1.3511 1.3121 1.2748 0.0612 0.0940 0.0172 157 PHE D CE2 8695 C CZ . PHE D 157 ? 1.3148 1.2815 1.2449 0.0614 0.0947 0.0200 157 PHE D CZ 8696 C C1 . NAG E . ? 0.2821 0.2541 0.2572 -0.0048 -0.0170 0.0052 701 NAG A C1 8697 C C2 . NAG E . ? 0.3298 0.3031 0.3065 -0.0060 -0.0181 0.0067 701 NAG A C2 8698 C C3 . NAG E . ? 0.3528 0.3293 0.3318 -0.0054 -0.0165 0.0071 701 NAG A C3 8699 C C4 . NAG E . ? 0.3135 0.2926 0.2964 -0.0043 -0.0151 0.0070 701 NAG A C4 8700 C C5 . NAG E . ? 0.2989 0.2766 0.2801 -0.0032 -0.0141 0.0056 701 NAG A C5 8701 C C6 . NAG E . ? 0.3198 0.2998 0.3048 -0.0023 -0.0131 0.0056 701 NAG A C6 8702 C C7 . NAG E . ? 0.4185 0.3876 0.3907 -0.0083 -0.0216 0.0075 701 NAG A C7 8703 C C8 . NAG E . ? 0.4197 0.3861 0.3872 -0.0094 -0.0227 0.0074 701 NAG A C8 8704 N N2 . NAG E . ? 0.4129 0.3834 0.3853 -0.0069 -0.0193 0.0065 701 NAG A N2 8705 O O3 . NAG E . ? 0.3995 0.3774 0.3805 -0.0064 -0.0175 0.0085 701 NAG A O3 8706 O O4 . NAG E . ? 0.2526 0.2341 0.2367 -0.0037 -0.0135 0.0071 701 NAG A O4 8707 O O5 . NAG E . ? 0.2812 0.2559 0.2603 -0.0038 -0.0157 0.0053 701 NAG A O5 8708 O O6 . NAG E . ? 0.3912 0.3715 0.3790 -0.0029 -0.0146 0.0066 701 NAG A O6 8709 O O7 . NAG E . ? 0.4843 0.4543 0.4598 -0.0088 -0.0227 0.0085 701 NAG A O7 8710 C C1 . NAG F . ? 0.3300 0.3142 0.3184 -0.0038 -0.0135 0.0082 702 NAG A C1 8711 C C2 . NAG F . ? 0.3480 0.3347 0.3376 -0.0029 -0.0115 0.0079 702 NAG A C2 8712 C C3 . NAG F . ? 0.3269 0.3162 0.3207 -0.0030 -0.0114 0.0091 702 NAG A C3 8713 C C4 . NAG F . ? 0.3092 0.2985 0.3037 -0.0042 -0.0130 0.0104 702 NAG A C4 8714 C C5 . NAG F . ? 0.3147 0.3015 0.3077 -0.0051 -0.0149 0.0106 702 NAG A C5 8715 C C6 . NAG F . ? 0.3280 0.3146 0.3213 -0.0064 -0.0165 0.0120 702 NAG A C6 8716 C C7 . NAG F . ? 0.3065 0.2919 0.2927 -0.0011 -0.0091 0.0057 702 NAG A C7 8717 C C8 . NAG F . ? 0.2747 0.2601 0.2612 0.0001 -0.0079 0.0048 702 NAG A C8 8718 N N2 . NAG F . ? 0.3348 0.3216 0.3242 -0.0017 -0.0101 0.0068 702 NAG A N2 8719 O O3 . NAG F . ? 0.3248 0.3161 0.3192 -0.0023 -0.0097 0.0089 702 NAG A O3 8720 O O4 . NAG F . ? 0.2860 0.2772 0.2844 -0.0043 -0.0131 0.0116 702 NAG A O4 8721 O O5 . NAG F . ? 0.3592 0.3435 0.3482 -0.0050 -0.0149 0.0094 702 NAG A O5 8722 O O6 . NAG F . ? 0.3755 0.3616 0.3659 -0.0066 -0.0161 0.0117 702 NAG A O6 8723 O O7 . NAG F . ? 0.3575 0.3415 0.3406 -0.0015 -0.0092 0.0055 702 NAG A O7 8724 C C1 . BMA G . ? 0.3055 0.2990 0.3057 -0.0038 -0.0117 0.0118 703 BMA A C1 8725 C C2 . BMA G . ? 0.3077 0.3026 0.3112 -0.0044 -0.0124 0.0133 703 BMA A C2 8726 C C3 . BMA G . ? 0.3348 0.3321 0.3403 -0.0039 -0.0110 0.0135 703 BMA A C3 8727 C C4 . BMA G . ? 0.3031 0.3012 0.3093 -0.0027 -0.0095 0.0126 703 BMA A C4 8728 C C5 . BMA G . ? 0.3231 0.3198 0.3260 -0.0023 -0.0090 0.0112 703 BMA A C5 8729 C C6 . BMA G . ? 0.3018 0.2994 0.3054 -0.0012 -0.0076 0.0103 703 BMA A C6 8730 O O2 . BMA G . ? 0.3001 0.2949 0.3058 -0.0043 -0.0130 0.0138 703 BMA A O2 8731 O O3 . BMA G . ? 0.3915 0.3899 0.4000 -0.0043 -0.0114 0.0149 703 BMA A O3 8732 O O4 . BMA G . ? 0.2542 0.2542 0.2619 -0.0023 -0.0082 0.0127 703 BMA A O4 8733 O O5 . BMA G . ? 0.2836 0.2782 0.2850 -0.0027 -0.0103 0.0111 703 BMA A O5 8734 O O6 . BMA G . ? 0.3398 0.3380 0.3462 -0.0010 -0.0079 0.0108 703 BMA A O6 8735 C C1 . MAN H . ? 0.2750 0.2739 0.2822 -0.0001 -0.0068 0.0101 704 MAN A C1 8736 C C2 . MAN H . ? 0.2466 0.2456 0.2562 0.0000 -0.0073 0.0106 704 MAN A C2 8737 C C3 . MAN H . ? 0.2650 0.2654 0.2773 -0.0003 -0.0075 0.0118 704 MAN A C3 8738 C C4 . MAN H . ? 0.2615 0.2635 0.2745 0.0001 -0.0061 0.0117 704 MAN A C4 8739 C C5 . MAN H . ? 0.2686 0.2704 0.2791 0.0000 -0.0057 0.0112 704 MAN A C5 8740 C C6 . MAN H . ? 0.2520 0.2556 0.2635 0.0004 -0.0045 0.0112 704 MAN A C6 8741 O O2 . MAN H . ? 0.2506 0.2502 0.2608 0.0009 -0.0064 0.0098 704 MAN A O2 8742 O O3 . MAN H . ? 0.2814 0.2822 0.2961 0.0001 -0.0076 0.0122 704 MAN A O3 8743 O O4 . MAN H . ? 0.2758 0.2788 0.2910 -0.0002 -0.0062 0.0128 704 MAN A O4 8744 O O5 . MAN H . ? 0.2799 0.2807 0.2882 0.0004 -0.0055 0.0101 704 MAN A O5 8745 O O6 . MAN H . ? 0.2941 0.2976 0.3035 0.0001 -0.0042 0.0109 704 MAN A O6 8746 C C1 . MAN I . ? 0.3067 0.3117 0.3172 0.0003 -0.0033 0.0112 705 MAN A C1 8747 C C2 . MAN I . ? 0.3400 0.3450 0.3491 -0.0003 -0.0035 0.0115 705 MAN A C2 8748 C C3 . MAN I . ? 0.3502 0.3544 0.3565 -0.0001 -0.0031 0.0107 705 MAN A C3 8749 C C4 . MAN I . ? 0.2854 0.2904 0.2918 0.0008 -0.0018 0.0099 705 MAN A C4 8750 C C5 . MAN I . ? 0.3370 0.3420 0.3450 0.0013 -0.0018 0.0097 705 MAN A C5 8751 C C6 . MAN I . ? 0.3528 0.3587 0.3611 0.0021 -0.0006 0.0091 705 MAN A C6 8752 O O2 . MAN I . ? 0.3534 0.3599 0.3639 -0.0003 -0.0028 0.0120 705 MAN A O2 8753 O O3 . MAN I . ? 0.2824 0.2867 0.2873 -0.0005 -0.0031 0.0110 705 MAN A O3 8754 O O4 . MAN I . ? 0.2618 0.2658 0.2656 0.0011 -0.0015 0.0092 705 MAN A O4 8755 O O5 . MAN I . ? 0.3537 0.3595 0.3642 0.0010 -0.0021 0.0105 705 MAN A O5 8756 O O6 . MAN I . ? 0.3288 0.3346 0.3383 0.0025 -0.0006 0.0089 705 MAN A O6 8757 C C1 . MAN J . ? 0.3202 0.3197 0.3352 -0.0005 -0.0091 0.0129 706 MAN A C1 8758 C C2 . MAN J . ? 0.3379 0.3385 0.3561 -0.0005 -0.0092 0.0141 706 MAN A C2 8759 C C3 . MAN J . ? 0.2794 0.2810 0.2992 0.0004 -0.0081 0.0137 706 MAN A C3 8760 C C4 . MAN J . ? 0.3393 0.3399 0.3582 0.0007 -0.0085 0.0129 706 MAN A C4 8761 C C5 . MAN J . ? 0.3568 0.3561 0.3725 0.0006 -0.0085 0.0118 706 MAN A C5 8762 C C6 . MAN J . ? 0.3205 0.3184 0.3353 0.0007 -0.0092 0.0112 706 MAN A C6 8763 O O2 . MAN J . ? 0.3032 0.3028 0.3221 -0.0012 -0.0107 0.0151 706 MAN A O2 8764 O O3 . MAN J . ? 0.2624 0.2647 0.2850 0.0005 -0.0082 0.0149 706 MAN A O3 8765 O O4 . MAN J . ? 0.3397 0.3412 0.3597 0.0016 -0.0073 0.0124 706 MAN A O4 8766 O O5 . MAN J . ? 0.3722 0.3706 0.3863 -0.0003 -0.0095 0.0122 706 MAN A O5 8767 O O6 . MAN J . ? 0.4310 0.4273 0.4426 0.0006 -0.0093 0.0102 706 MAN A O6 8768 C C1 . NAG K . ? 0.3239 0.3176 0.3158 -0.0001 -0.0051 0.0071 707 NAG A C1 8769 C C2 . NAG K . ? 0.3492 0.3454 0.3446 -0.0002 -0.0050 0.0080 707 NAG A C2 8770 C C3 . NAG K . ? 0.3512 0.3473 0.3477 -0.0013 -0.0065 0.0091 707 NAG A C3 8771 C C4 . NAG K . ? 0.3173 0.3120 0.3110 -0.0021 -0.0073 0.0093 707 NAG A C4 8772 C C5 . NAG K . ? 0.3236 0.3157 0.3137 -0.0019 -0.0075 0.0083 707 NAG A C5 8773 C C6 . NAG K . ? 0.3705 0.3608 0.3574 -0.0028 -0.0084 0.0084 707 NAG A C6 8774 C C7 . NAG K . ? 0.2777 0.2769 0.2778 0.0009 -0.0034 0.0080 707 NAG A C7 8775 C C8 . NAG K . ? 0.2502 0.2502 0.2526 0.0015 -0.0031 0.0079 707 NAG A C8 8776 N N2 . NAG K . ? 0.2920 0.2891 0.2899 0.0004 -0.0045 0.0079 707 NAG A N2 8777 O O3 . NAG K . ? 0.3232 0.3215 0.3228 -0.0013 -0.0061 0.0099 707 NAG A O3 8778 O O4 . NAG K . ? 0.4157 0.4100 0.4105 -0.0031 -0.0089 0.0103 707 NAG A O4 8779 O O5 . NAG K . ? 0.3168 0.3093 0.3061 -0.0008 -0.0058 0.0073 707 NAG A O5 8780 O O6 . NAG K . ? 0.3663 0.3577 0.3525 -0.0027 -0.0075 0.0086 707 NAG A O6 8781 O O7 . NAG K . ? 0.3078 0.3081 0.3079 0.0009 -0.0027 0.0083 707 NAG A O7 8782 C C1 . NAG L . ? 0.3495 0.3455 0.3459 -0.0036 -0.0089 0.0113 708 NAG A C1 8783 C C2 . NAG L . ? 0.3598 0.3548 0.3561 -0.0048 -0.0107 0.0124 708 NAG A C2 8784 C C3 . NAG L . ? 0.4273 0.4238 0.4254 -0.0054 -0.0108 0.0135 708 NAG A C3 8785 C C4 . NAG L . ? 0.3846 0.3834 0.3863 -0.0048 -0.0098 0.0140 708 NAG A C4 8786 C C5 . NAG L . ? 0.3583 0.3578 0.3597 -0.0036 -0.0082 0.0128 708 NAG A C5 8787 C C6 . NAG L . ? 0.3384 0.3399 0.3431 -0.0031 -0.0072 0.0131 708 NAG A C6 8788 C C7 . NAG L . ? 0.3560 0.3465 0.3473 -0.0059 -0.0130 0.0119 708 NAG A C7 8789 C C8 . NAG L . ? 0.2835 0.2715 0.2708 -0.0066 -0.0140 0.0115 708 NAG A C8 8790 N N2 . NAG L . ? 0.2789 0.2715 0.2714 -0.0054 -0.0116 0.0120 708 NAG A N2 8791 O O3 . NAG L . ? 0.3827 0.3782 0.3811 -0.0065 -0.0126 0.0146 708 NAG A O3 8792 O O4 . NAG L . ? 0.4273 0.4278 0.4302 -0.0051 -0.0093 0.0147 708 NAG A O4 8793 O O5 . NAG L . ? 0.3342 0.3322 0.3340 -0.0032 -0.0082 0.0118 708 NAG A O5 8794 O O6 . NAG L . ? 0.3097 0.3110 0.3164 -0.0031 -0.0079 0.0135 708 NAG A O6 8795 O O7 . NAG L . ? 0.3300 0.3206 0.3234 -0.0058 -0.0135 0.0121 708 NAG A O7 8796 C C1 . BMA M . ? 0.5300 0.5308 0.5343 -0.0060 -0.0103 0.0161 709 BMA A C1 8797 C C2 . BMA M . ? 0.5303 0.5295 0.5337 -0.0070 -0.0122 0.0168 709 BMA A C2 8798 C C3 . BMA M . ? 0.4932 0.4928 0.4980 -0.0081 -0.0132 0.0183 709 BMA A C3 8799 C C4 . BMA M . ? 0.4713 0.4728 0.4800 -0.0076 -0.0125 0.0191 709 BMA A C4 8800 C C5 . BMA M . ? 0.5314 0.5343 0.5405 -0.0067 -0.0107 0.0183 709 BMA A C5 8801 C C6 . BMA M . ? 0.4742 0.4785 0.4867 -0.0064 -0.0101 0.0191 709 BMA A C6 8802 O O2 . BMA M . ? 0.6221 0.6207 0.6270 -0.0069 -0.0127 0.0169 709 BMA A O2 8803 O O3 . BMA M . ? 0.5321 0.5300 0.5362 -0.0089 -0.0149 0.0189 709 BMA A O3 8804 O O4 . BMA M . ? 0.4898 0.4921 0.5005 -0.0084 -0.0130 0.0206 709 BMA A O4 8805 O O5 . BMA M . ? 0.6007 0.6030 0.6084 -0.0058 -0.0100 0.0169 709 BMA A O5 8806 O O6 . BMA M . ? 0.4311 0.4366 0.4435 -0.0056 -0.0086 0.0183 709 BMA A O6 8807 C C1 . MAN N . ? 0.4648 0.4611 0.4659 -0.0099 -0.0162 0.0190 710 MAN A C1 8808 C C2 . MAN N . ? 0.5223 0.5164 0.5219 -0.0105 -0.0178 0.0189 710 MAN A C2 8809 C C3 . MAN N . ? 0.5508 0.5432 0.5468 -0.0099 -0.0173 0.0172 710 MAN A C3 8810 C C4 . MAN N . ? 0.4783 0.4703 0.4711 -0.0097 -0.0164 0.0164 710 MAN A C4 8811 C C5 . MAN N . ? 0.4987 0.4933 0.4935 -0.0091 -0.0148 0.0166 710 MAN A C5 8812 C C6 . MAN N . ? 0.4796 0.4739 0.4713 -0.0092 -0.0143 0.0161 710 MAN A C6 8813 O O2 . MAN N . ? 0.5271 0.5200 0.5254 -0.0118 -0.0195 0.0199 710 MAN A O2 8814 O O3 . MAN N . ? 0.6055 0.5954 0.5994 -0.0107 -0.0190 0.0172 710 MAN A O3 8815 O O4 . MAN N . ? 0.4716 0.4623 0.4616 -0.0089 -0.0156 0.0148 710 MAN A O4 8816 O O5 . MAN N . ? 0.4709 0.4671 0.4690 -0.0097 -0.0154 0.0181 710 MAN A O5 8817 O O6 . MAN N . ? 0.5963 0.5928 0.5896 -0.0085 -0.0126 0.0160 710 MAN A O6 8818 C C1 . MAN O . ? 0.6587 0.6484 0.6545 -0.0103 -0.0193 0.0172 711 MAN A C1 8819 C C2 . MAN O . ? 0.6517 0.6390 0.6442 -0.0100 -0.0195 0.0157 711 MAN A C2 8820 C C3 . MAN O . ? 0.7218 0.7063 0.7108 -0.0112 -0.0214 0.0159 711 MAN A C3 8821 C C4 . MAN O . ? 0.7622 0.7467 0.7536 -0.0125 -0.0234 0.0177 711 MAN A C4 8822 C C5 . MAN O . ? 0.7350 0.7223 0.7302 -0.0126 -0.0230 0.0192 711 MAN A C5 8823 C C6 . MAN O . ? 0.7188 0.7062 0.7168 -0.0137 -0.0248 0.0211 711 MAN A C6 8824 O O2 . MAN O . ? 0.5932 0.5804 0.5877 -0.0096 -0.0198 0.0158 711 MAN A O2 8825 O O3 . MAN O . ? 0.6926 0.6747 0.6787 -0.0110 -0.0217 0.0146 711 MAN A O3 8826 O O4 . MAN O . ? 0.8346 0.8167 0.8226 -0.0138 -0.0252 0.0180 711 MAN A O4 8827 O O5 . MAN O . ? 0.7072 0.6967 0.7052 -0.0113 -0.0211 0.0188 711 MAN A O5 8828 O O6 . MAN O . ? 0.6896 0.6795 0.6913 -0.0137 -0.0243 0.0225 711 MAN A O6 8829 C C1 . MAN P . ? 0.4038 0.4103 0.4190 -0.0051 -0.0079 0.0187 712 MAN A C1 8830 C C2 . MAN P . ? 0.4012 0.4090 0.4176 -0.0053 -0.0074 0.0194 712 MAN A C2 8831 C C3 . MAN P . ? 0.4590 0.4674 0.4737 -0.0049 -0.0064 0.0184 712 MAN A C3 8832 C C4 . MAN P . ? 0.4495 0.4579 0.4635 -0.0040 -0.0055 0.0172 712 MAN A C4 8833 C C5 . MAN P . ? 0.3682 0.3752 0.3810 -0.0040 -0.0061 0.0166 712 MAN A C5 8834 C C6 . MAN P . ? 0.4204 0.4274 0.4324 -0.0031 -0.0052 0.0154 712 MAN A C6 8835 O O2 . MAN P . ? 0.4129 0.4214 0.4321 -0.0050 -0.0068 0.0200 712 MAN A O2 8836 O O3 . MAN P . ? 0.5298 0.5394 0.5460 -0.0050 -0.0057 0.0190 712 MAN A O3 8837 O O4 . MAN P . ? 0.4466 0.4554 0.4588 -0.0038 -0.0047 0.0165 712 MAN A O4 8838 O O5 . MAN P . ? 0.4601 0.4668 0.4750 -0.0042 -0.0068 0.0175 712 MAN A O5 8839 O O6 . MAN P . ? 0.3997 0.4053 0.4104 -0.0030 -0.0058 0.0149 712 MAN A O6 8840 C C1 . NAG Q . ? 0.5715 0.5429 0.5629 -0.0243 -0.0235 0.0213 713 NAG A C1 8841 C C2 . NAG Q . ? 0.5345 0.5083 0.5289 -0.0241 -0.0232 0.0220 713 NAG A C2 8842 C C3 . NAG Q . ? 0.5942 0.5733 0.5933 -0.0237 -0.0228 0.0232 713 NAG A C3 8843 C C4 . NAG Q . ? 0.6065 0.5870 0.6068 -0.0248 -0.0245 0.0246 713 NAG A C4 8844 C C5 . NAG Q . ? 0.5969 0.5751 0.5942 -0.0250 -0.0247 0.0238 713 NAG A C5 8845 C C6 . NAG Q . ? 0.5313 0.5109 0.5300 -0.0262 -0.0265 0.0253 713 NAG A C6 8846 C C7 . NAG Q . ? 0.6328 0.6024 0.6243 -0.0231 -0.0214 0.0202 713 NAG A C7 8847 C C8 . NAG Q . ? 0.6078 0.5769 0.5989 -0.0216 -0.0193 0.0190 713 NAG A C8 8848 N N2 . NAG Q . ? 0.5605 0.5334 0.5542 -0.0228 -0.0213 0.0207 713 NAG A N2 8849 O O3 . NAG Q . ? 0.5405 0.5213 0.5419 -0.0238 -0.0229 0.0240 713 NAG A O3 8850 O O4 . NAG Q . ? 0.6087 0.5941 0.6130 -0.0241 -0.0237 0.0254 713 NAG A O4 8851 O O5 . NAG Q . ? 0.5859 0.5591 0.5788 -0.0254 -0.0251 0.0226 713 NAG A O5 8852 O O6 . NAG Q . ? 0.6127 0.5883 0.6074 -0.0272 -0.0277 0.0248 713 NAG A O6 8853 O O7 . NAG Q . ? 0.6392 0.6066 0.6294 -0.0244 -0.0231 0.0207 713 NAG A O7 8854 C C1 . NAG R . ? 0.6913 0.6793 0.6988 -0.0248 -0.0247 0.0272 714 NAG A C1 8855 C C2 . NAG R . ? 0.6818 0.6738 0.6925 -0.0246 -0.0245 0.0283 714 NAG A C2 8856 C C3 . NAG R . ? 0.6794 0.6751 0.6942 -0.0248 -0.0249 0.0302 714 NAG A C3 8857 C C4 . NAG R . ? 0.7329 0.7296 0.7487 -0.0239 -0.0236 0.0297 714 NAG A C4 8858 C C5 . NAG R . ? 0.7159 0.7087 0.7287 -0.0244 -0.0241 0.0288 714 NAG A C5 8859 C C6 . NAG R . ? 0.6857 0.6795 0.6996 -0.0236 -0.0229 0.0284 714 NAG A C6 8860 C C7 . NAG R . ? 0.7183 0.7099 0.7277 -0.0250 -0.0252 0.0284 714 NAG A C7 8861 C C8 . NAG R . ? 0.7031 0.6930 0.7109 -0.0262 -0.0269 0.0289 714 NAG A C8 8862 N N2 . NAG R . ? 0.7063 0.6969 0.7157 -0.0256 -0.0260 0.0287 714 NAG A N2 8863 O O3 . NAG R . ? 0.6730 0.6723 0.6907 -0.0243 -0.0244 0.0310 714 NAG A O3 8864 O O4 . NAG R . ? 0.6428 0.6430 0.6623 -0.0240 -0.0238 0.0314 714 NAG A O4 8865 O O5 . NAG R . ? 0.7633 0.7526 0.7723 -0.0241 -0.0237 0.0271 714 NAG A O5 8866 O O6 . NAG R . ? 0.6748 0.6675 0.6870 -0.0222 -0.0211 0.0267 714 NAG A O6 8867 O O7 . NAG R . ? 0.7508 0.7445 0.7614 -0.0235 -0.0234 0.0277 714 NAG A O7 8868 AS AS . CAC S . ? 0.7053 0.6847 0.6717 0.0175 0.0200 -0.0021 715 CAC A AS 8869 O O2 . CAC S . ? 0.4941 0.4718 0.4611 0.0177 0.0194 -0.0030 715 CAC A O2 8870 C C1 . CAC S . ? 0.4596 0.4418 0.4287 0.0156 0.0175 -0.0014 715 CAC A C1 8871 C C2 . CAC S . ? 0.5364 0.5112 0.4957 0.0178 0.0207 -0.0030 715 CAC A C2 8872 C C1 . NAG T . ? 0.2152 0.2175 0.2251 -0.0157 -0.0159 0.0230 701 NAG B C1 8873 C C2 . NAG T . ? 0.2624 0.2683 0.2761 -0.0146 -0.0148 0.0234 701 NAG B C2 8874 C C3 . NAG T . ? 0.2551 0.2632 0.2714 -0.0156 -0.0160 0.0252 701 NAG B C3 8875 C C4 . NAG T . ? 0.2610 0.2693 0.2781 -0.0169 -0.0174 0.0265 701 NAG B C4 8876 C C5 . NAG T . ? 0.2788 0.2832 0.2917 -0.0180 -0.0186 0.0260 701 NAG B C5 8877 C C6 . NAG T . ? 0.2924 0.2967 0.3059 -0.0194 -0.0202 0.0272 701 NAG B C6 8878 C C7 . NAG T . ? 0.2592 0.2668 0.2742 -0.0121 -0.0122 0.0217 701 NAG B C7 8879 C C8 . NAG T . ? 0.2044 0.2118 0.2189 -0.0113 -0.0113 0.0210 701 NAG B C8 8880 N N2 . NAG T . ? 0.2153 0.2209 0.2283 -0.0136 -0.0137 0.0223 701 NAG B N2 8881 O O3 . NAG T . ? 0.2239 0.2353 0.2439 -0.0145 -0.0148 0.0255 701 NAG B O3 8882 O O4 . NAG T . ? 0.2568 0.2666 0.2760 -0.0180 -0.0187 0.0283 701 NAG B O4 8883 O O5 . NAG T . ? 0.2133 0.2158 0.2239 -0.0170 -0.0174 0.0242 701 NAG B O5 8884 O O6 . NAG T . ? 0.2443 0.2499 0.2594 -0.0187 -0.0193 0.0271 701 NAG B O6 8885 O O7 . NAG T . ? 0.2517 0.2609 0.2686 -0.0116 -0.0115 0.0218 701 NAG B O7 8886 C C1 . NAG U . ? 0.3609 0.3743 0.3844 -0.0175 -0.0182 0.0295 702 NAG B C1 8887 C C2 . NAG U . ? 0.4050 0.4193 0.4300 -0.0192 -0.0200 0.0316 702 NAG B C2 8888 C C3 . NAG U . ? 0.3967 0.4149 0.4265 -0.0187 -0.0195 0.0332 702 NAG B C3 8889 C C4 . NAG U . ? 0.4561 0.4759 0.4874 -0.0175 -0.0181 0.0328 702 NAG B C4 8890 C C5 . NAG U . ? 0.3969 0.4160 0.4267 -0.0159 -0.0163 0.0307 702 NAG B C5 8891 C C6 . NAG U . ? 0.3549 0.3756 0.3863 -0.0146 -0.0149 0.0302 702 NAG B C6 8892 C C7 . NAG U . ? 0.4703 0.4802 0.4912 -0.0220 -0.0233 0.0324 702 NAG B C7 8893 C C8 . NAG U . ? 0.4343 0.4426 0.4539 -0.0232 -0.0246 0.0329 702 NAG B C8 8894 N N2 . NAG U . ? 0.3856 0.3980 0.4089 -0.0203 -0.0213 0.0319 702 NAG B N2 8895 O O3 . NAG U . ? 0.5483 0.5672 0.5797 -0.0203 -0.0213 0.0353 702 NAG B O3 8896 O O4 . NAG U . ? 0.5352 0.5586 0.5710 -0.0171 -0.0176 0.0344 702 NAG B O4 8897 O O5 . NAG U . ? 0.3603 0.3760 0.3860 -0.0162 -0.0168 0.0293 702 NAG B O5 8898 O O6 . NAG U . ? 0.4647 0.4832 0.4933 -0.0146 -0.0150 0.0290 702 NAG B O6 8899 O O7 . NAG U . ? 0.4747 0.4837 0.4944 -0.0225 -0.0240 0.0325 702 NAG B O7 8900 C C1 . NAG V . ? 0.6376 0.6653 0.6770 -0.0126 -0.0115 0.0325 703 NAG B C1 8901 C C2 . NAG V . ? 0.6815 0.7111 0.7237 -0.0132 -0.0122 0.0344 703 NAG B C2 8902 C C3 . NAG V . ? 0.7246 0.7570 0.7698 -0.0118 -0.0105 0.0349 703 NAG B C3 8903 C C4 . NAG V . ? 0.7179 0.7496 0.7617 -0.0105 -0.0091 0.0329 703 NAG B C4 8904 C C5 . NAG V . ? 0.6708 0.7007 0.7118 -0.0100 -0.0086 0.0311 703 NAG B C5 8905 C C6 . NAG V . ? 0.5592 0.5883 0.5989 -0.0088 -0.0074 0.0293 703 NAG B C6 8906 C C7 . NAG V . ? 0.7960 0.8256 0.8396 -0.0159 -0.0154 0.0375 703 NAG B C7 8907 C C8 . NAG V . ? 0.7720 0.8021 0.8169 -0.0173 -0.0170 0.0394 703 NAG B C8 8908 N N2 . NAG V . ? 0.6993 0.7294 0.7428 -0.0145 -0.0137 0.0363 703 NAG B N2 8909 O O3 . NAG V . ? 0.7165 0.7504 0.7641 -0.0124 -0.0112 0.0366 703 NAG B O3 8910 O O4 . NAG V . ? 0.7335 0.7675 0.7797 -0.0092 -0.0075 0.0332 703 NAG B O4 8911 O O5 . NAG V . ? 0.6371 0.6645 0.6755 -0.0113 -0.0101 0.0308 703 NAG B O5 8912 O O6 . NAG V . ? 0.7170 0.7454 0.7553 -0.0080 -0.0064 0.0280 703 NAG B O6 8913 O O7 . NAG V . ? 0.8104 0.8392 0.8531 -0.0162 -0.0158 0.0371 703 NAG B O7 8914 C C1 . NAG W . ? 0.3364 0.3192 0.3590 0.0044 0.0154 0.0212 701 NAG C C1 8915 C C2 . NAG W . ? 0.3316 0.3147 0.3549 0.0053 0.0161 0.0215 701 NAG C C2 8916 C C3 . NAG W . ? 0.3660 0.3516 0.3897 0.0048 0.0149 0.0211 701 NAG C C3 8917 C C4 . NAG W . ? 0.3243 0.3126 0.3496 0.0039 0.0136 0.0214 701 NAG C C4 8918 C C5 . NAG W . ? 0.3311 0.3190 0.3557 0.0031 0.0131 0.0211 701 NAG C C5 8919 C C6 . NAG W . ? 0.2892 0.2799 0.3157 0.0023 0.0121 0.0216 701 NAG C C6 8920 C C7 . NAG W . ? 0.3860 0.3645 0.4073 0.0071 0.0188 0.0217 701 NAG C C7 8921 C C8 . NAG W . ? 0.2944 0.2700 0.3129 0.0079 0.0198 0.0210 701 NAG C C8 8922 N N2 . NAG W . ? 0.3620 0.3422 0.3829 0.0060 0.0172 0.0210 701 NAG C N2 8923 O O3 . NAG W . ? 0.3909 0.3770 0.4157 0.0056 0.0155 0.0216 701 NAG C O3 8924 O O4 . NAG W . ? 0.2840 0.2741 0.3089 0.0035 0.0126 0.0206 701 NAG C O4 8925 O O5 . NAG W . ? 0.3014 0.2871 0.3259 0.0036 0.0142 0.0216 701 NAG C O5 8926 O O6 . NAG W . ? 0.3110 0.3024 0.3400 0.0026 0.0126 0.0229 701 NAG C O6 8927 O O7 . NAG W . ? 0.3606 0.3398 0.3845 0.0074 0.0194 0.0230 701 NAG C O7 8928 C C1 . NAG X . ? 0.3716 0.3640 0.3986 0.0035 0.0121 0.0213 702 NAG C C1 8929 C C2 . NAG X . ? 0.3509 0.3453 0.3774 0.0029 0.0109 0.0205 702 NAG C C2 8930 C C3 . NAG X . ? 0.4166 0.4130 0.4452 0.0029 0.0105 0.0213 702 NAG C C3 8931 C C4 . NAG X . ? 0.4102 0.4059 0.4393 0.0037 0.0113 0.0216 702 NAG C C4 8932 C C5 . NAG X . ? 0.3673 0.3614 0.3973 0.0043 0.0125 0.0226 702 NAG C C5 8933 C C6 . NAG X . ? 0.3700 0.3634 0.4009 0.0052 0.0134 0.0233 702 NAG C C6 8934 C C7 . NAG X . ? 0.3064 0.3003 0.3307 0.0017 0.0100 0.0195 702 NAG C C7 8935 C C8 . NAG X . ? 0.3352 0.3300 0.3597 0.0008 0.0092 0.0196 702 NAG C C8 8936 N N2 . NAG X . ? 0.3379 0.3331 0.3640 0.0020 0.0101 0.0202 702 NAG C N2 8937 O O3 . NAG X . ? 0.4449 0.4431 0.4734 0.0025 0.0095 0.0207 702 NAG C O3 8938 O O4 . NAG X . ? 0.3765 0.3744 0.4071 0.0033 0.0103 0.0221 702 NAG C O4 8939 O O5 . NAG X . ? 0.4064 0.3984 0.4344 0.0043 0.0130 0.0219 702 NAG C O5 8940 O O6 . NAG X . ? 0.4347 0.4272 0.4638 0.0057 0.0137 0.0223 702 NAG C O6 8941 O O7 . NAG X . ? 0.3195 0.3114 0.3420 0.0020 0.0104 0.0189 702 NAG C O7 8942 C C1 . BMA Y . ? 0.4546 0.4539 0.4842 0.0028 0.0093 0.0211 703 BMA C C1 8943 C C2 . BMA Y . ? 0.4727 0.4726 0.5043 0.0032 0.0094 0.0221 703 BMA C C2 8944 C C3 . BMA Y . ? 0.4476 0.4491 0.4792 0.0030 0.0085 0.0217 703 BMA C C3 8945 C C4 . BMA Y . ? 0.3944 0.3974 0.4256 0.0021 0.0074 0.0213 703 BMA C C4 8946 C C5 . BMA Y . ? 0.3934 0.3959 0.4231 0.0018 0.0075 0.0205 703 BMA C C5 8947 C C6 . BMA Y . ? 0.4055 0.4094 0.4349 0.0010 0.0067 0.0203 703 BMA C C6 8948 O O2 . BMA Y . ? 0.5073 0.5079 0.5409 0.0030 0.0094 0.0233 703 BMA C O2 8949 O O3 . BMA Y . ? 0.4649 0.4671 0.4985 0.0032 0.0084 0.0228 703 BMA C O3 8950 O O4 . BMA Y . ? 0.4006 0.4048 0.4314 0.0020 0.0067 0.0207 703 BMA C O4 8951 O O5 . BMA Y . ? 0.3897 0.3909 0.4199 0.0020 0.0083 0.0212 703 BMA C O5 8952 O O6 . BMA Y . ? 0.3896 0.3942 0.4206 0.0007 0.0065 0.0214 703 BMA C O6 8953 C C1 . MAN Z . ? 0.3012 0.3072 0.3319 0.0000 0.0056 0.0212 704 MAN C C1 8954 C C2 . MAN Z . ? 0.3205 0.3273 0.3528 -0.0004 0.0052 0.0224 704 MAN C C2 8955 C C3 . MAN Z . ? 0.3016 0.3092 0.3347 -0.0004 0.0047 0.0227 704 MAN C C3 8956 C C4 . MAN Z . ? 0.3054 0.3138 0.3371 -0.0005 0.0041 0.0217 704 MAN C C4 8957 C C5 . MAN Z . ? 0.3667 0.3743 0.3970 0.0000 0.0046 0.0206 704 MAN C C5 8958 C C6 . MAN Z . ? 0.4099 0.4184 0.4389 -0.0002 0.0040 0.0197 704 MAN C C6 8959 O O2 . MAN Z . ? 0.2362 0.2441 0.2682 -0.0011 0.0046 0.0223 704 MAN C O2 8960 O O3 . MAN Z . ? 0.3089 0.3174 0.3432 -0.0009 0.0041 0.0237 704 MAN C O3 8961 O O4 . MAN Z . ? 0.3314 0.3402 0.3636 -0.0004 0.0037 0.0220 704 MAN C O4 8962 O O5 . MAN Z . ? 0.3174 0.3243 0.3471 -0.0001 0.0050 0.0204 704 MAN C O5 8963 O O6 . MAN Z . ? 0.4427 0.4506 0.4708 0.0002 0.0044 0.0189 704 MAN C O6 8964 C C1 . MAN AA . ? 0.5081 0.5168 0.5355 0.0003 0.0040 0.0182 705 MAN C C1 8965 C C2 . MAN AA . ? 0.5497 0.5576 0.5765 0.0008 0.0044 0.0176 705 MAN C C2 8966 C C3 . MAN AA . ? 0.4662 0.4734 0.4921 0.0008 0.0048 0.0172 705 MAN C C3 8967 C C4 . MAN AA . ? 0.4601 0.4684 0.4853 0.0002 0.0043 0.0168 705 MAN C C4 8968 C C5 . MAN AA . ? 0.4826 0.4918 0.5084 -0.0002 0.0039 0.0174 705 MAN C C5 8969 C C6 . MAN AA . ? 0.5009 0.5114 0.5261 -0.0007 0.0035 0.0171 705 MAN C C6 8970 O O2 . MAN AA . ? 0.6720 0.6807 0.6982 0.0009 0.0040 0.0169 705 MAN C O2 8971 O O3 . MAN AA . ? 0.4870 0.4933 0.5121 0.0012 0.0051 0.0166 705 MAN C O3 8972 O O4 . MAN AA . ? 0.4299 0.4374 0.4544 0.0001 0.0046 0.0167 705 MAN C O4 8973 O O5 . MAN AA . ? 0.5752 0.5848 0.6016 -0.0001 0.0036 0.0177 705 MAN C O5 8974 O O6 . MAN AA . ? 0.5300 0.5412 0.5557 -0.0011 0.0032 0.0178 705 MAN C O6 8975 C C1 . MAN BA . ? 0.3961 0.4039 0.4322 -0.0007 0.0047 0.0249 706 MAN C C1 8976 C C2 . MAN BA . ? 0.4178 0.4264 0.4554 -0.0010 0.0040 0.0261 706 MAN C C2 8977 C C3 . MAN BA . ? 0.3782 0.3881 0.4157 -0.0019 0.0030 0.0263 706 MAN C C3 8978 C C4 . MAN BA . ? 0.4029 0.4127 0.4408 -0.0022 0.0034 0.0267 706 MAN C C4 8979 C C5 . MAN BA . ? 0.3337 0.3427 0.3700 -0.0018 0.0041 0.0255 706 MAN C C5 8980 C C6 . MAN BA . ? 0.3276 0.3364 0.3642 -0.0021 0.0044 0.0258 706 MAN C C6 8981 O O2 . MAN BA . ? 0.4062 0.4142 0.4459 -0.0007 0.0046 0.0274 706 MAN C O2 8982 O O3 . MAN BA . ? 0.3652 0.3757 0.4040 -0.0024 0.0022 0.0275 706 MAN C O3 8983 O O4 . MAN BA . ? 0.4081 0.4191 0.4457 -0.0030 0.0026 0.0269 706 MAN C O4 8984 O O5 . MAN BA . ? 0.3959 0.4036 0.4324 -0.0010 0.0050 0.0253 706 MAN C O5 8985 O O6 . MAN BA . ? 0.3803 0.3879 0.4182 -0.0017 0.0053 0.0266 706 MAN C O6 8986 C C1 . NAG CA . ? 0.3166 0.3157 0.3397 0.0010 0.0074 0.0175 707 NAG C C1 8987 C C2 . NAG CA . ? 0.2743 0.2753 0.2984 0.0011 0.0070 0.0176 707 NAG C C2 8988 C C3 . NAG CA . ? 0.3442 0.3446 0.3691 0.0018 0.0077 0.0180 707 NAG C C3 8989 C C4 . NAG CA . ? 0.3650 0.3634 0.3885 0.0024 0.0084 0.0175 707 NAG C C4 8990 C C5 . NAG CA . ? 0.3306 0.3272 0.3531 0.0023 0.0088 0.0174 707 NAG C C5 8991 C C6 . NAG CA . ? 0.3157 0.3101 0.3364 0.0028 0.0095 0.0169 707 NAG C C6 8992 C C7 . NAG CA . ? 0.2847 0.2889 0.3100 0.0002 0.0058 0.0179 707 NAG C C7 8993 C C8 . NAG CA . ? 0.2614 0.2671 0.2879 -0.0002 0.0053 0.0185 707 NAG C C8 8994 N N2 . NAG CA . ? 0.2719 0.2744 0.2972 0.0006 0.0065 0.0181 707 NAG C N2 8995 O O3 . NAG CA . ? 0.3045 0.3064 0.3302 0.0019 0.0072 0.0180 707 NAG C O3 8996 O O4 . NAG CA . ? 0.4531 0.4511 0.4776 0.0031 0.0090 0.0180 707 NAG C O4 8997 O O5 . NAG CA . ? 0.3056 0.3028 0.3274 0.0015 0.0080 0.0170 707 NAG C O5 8998 O O6 . NAG CA . ? 0.3182 0.3133 0.3380 0.0026 0.0089 0.0161 707 NAG C O6 8999 O O7 . NAG CA . ? 0.2612 0.2659 0.2857 0.0002 0.0055 0.0172 707 NAG C O7 9000 C C1 . NAG DA . ? 0.4620 0.4602 0.4860 0.0035 0.0090 0.0175 708 NAG C C1 9001 C C2 . NAG DA . ? 0.4100 0.4076 0.4352 0.0043 0.0098 0.0182 708 NAG C C2 9002 C C3 . NAG DA . ? 0.4651 0.4629 0.4899 0.0048 0.0098 0.0178 708 NAG C C3 9003 C C4 . NAG DA . ? 0.5131 0.5127 0.5379 0.0043 0.0087 0.0172 708 NAG C C4 9004 C C5 . NAG DA . ? 0.4698 0.4699 0.4936 0.0035 0.0081 0.0166 708 NAG C C5 9005 C C6 . NAG DA . ? 0.4404 0.4423 0.4642 0.0031 0.0072 0.0161 708 NAG C C6 9006 C C7 . NAG DA . ? 0.4608 0.4558 0.4869 0.0051 0.0115 0.0196 708 NAG C C7 9007 C C8 . NAG DA . ? 0.4669 0.4596 0.4920 0.0054 0.0125 0.0197 708 NAG C C8 9008 N N2 . NAG DA . ? 0.3796 0.3750 0.4042 0.0048 0.0109 0.0185 708 NAG C N2 9009 O O3 . NAG DA . ? 0.5407 0.5384 0.5670 0.0054 0.0103 0.0186 708 NAG C O3 9010 O O4 . NAG DA . ? 0.5140 0.5135 0.5381 0.0046 0.0087 0.0167 708 NAG C O4 9011 O O5 . NAG DA . ? 0.4338 0.4339 0.4582 0.0031 0.0081 0.0172 708 NAG C O5 9012 O O6 . NAG DA . ? 0.4413 0.4434 0.4638 0.0027 0.0068 0.0154 708 NAG C O6 9013 O O7 . NAG DA . ? 0.5040 0.5005 0.5321 0.0050 0.0112 0.0204 708 NAG C O7 9014 C C1 . NAG EA . ? 0.5543 0.5199 0.4882 0.0293 0.0420 -0.0002 709 NAG C C1 9015 C C2 . NAG EA . ? 0.6157 0.5831 0.5543 0.0297 0.0421 0.0000 709 NAG C C2 9016 C C3 . NAG EA . ? 0.5953 0.5680 0.5403 0.0299 0.0427 0.0018 709 NAG C C3 9017 C C4 . NAG EA . ? 0.5862 0.5603 0.5314 0.0312 0.0453 0.0032 709 NAG C C4 9018 C C5 . NAG EA . ? 0.6029 0.5757 0.5440 0.0305 0.0448 0.0030 709 NAG C C5 9019 C C6 . NAG EA . ? 0.5933 0.5673 0.5341 0.0319 0.0475 0.0044 709 NAG C C6 9020 C C7 . NAG EA . ? 0.7230 0.6862 0.6597 0.0284 0.0390 -0.0025 709 NAG C C7 9021 C C8 . NAG EA . ? 0.7088 0.6712 0.6457 0.0267 0.0359 -0.0034 709 NAG C C8 9022 N N2 . NAG EA . ? 0.6817 0.6483 0.6207 0.0282 0.0393 -0.0011 709 NAG C N2 9023 O O3 . NAG EA . ? 0.5985 0.5722 0.5470 0.0305 0.0432 0.0018 709 NAG C O3 9024 O O4 . NAG EA . ? 0.5641 0.5433 0.5154 0.0311 0.0454 0.0049 709 NAG C O4 9025 O O5 . NAG EA . ? 0.5201 0.4878 0.4549 0.0303 0.0442 0.0013 709 NAG C O5 9026 O O6 . NAG EA . ? 0.5404 0.5103 0.4763 0.0336 0.0498 0.0037 709 NAG C O6 9027 O O7 . NAG EA . ? 0.7003 0.6611 0.6349 0.0300 0.0412 -0.0028 709 NAG C O7 9028 C C1 . NAG FA . ? 0.7565 0.7372 0.7109 0.0327 0.0477 0.0060 710 NAG C C1 9029 C C2 . NAG FA . ? 0.7810 0.7669 0.7411 0.0324 0.0478 0.0080 710 NAG C C2 9030 C C3 . NAG FA . ? 0.8115 0.7996 0.7759 0.0338 0.0498 0.0093 710 NAG C C3 9031 C C4 . NAG FA . ? 0.7490 0.7361 0.7145 0.0337 0.0491 0.0083 710 NAG C C4 9032 C C5 . NAG FA . ? 0.7506 0.7325 0.7102 0.0342 0.0494 0.0064 710 NAG C C5 9033 C C6 . NAG FA . ? 0.7174 0.6982 0.6781 0.0342 0.0488 0.0054 710 NAG C C6 9034 C C7 . NAG FA . ? 1.0096 1.0000 0.9719 0.0321 0.0485 0.0105 710 NAG C C7 9035 C C8 . NAG FA . ? 1.0369 1.0271 0.9966 0.0325 0.0496 0.0112 710 NAG C C8 9036 N N2 . NAG FA . ? 0.8569 0.8434 0.8154 0.0325 0.0485 0.0088 710 NAG C N2 9037 O O3 . NAG FA . ? 0.8538 0.8467 0.8238 0.0332 0.0493 0.0111 710 NAG C O3 9038 O O4 . NAG FA . ? 0.8545 0.8437 0.8241 0.0350 0.0510 0.0096 710 NAG C O4 9039 O O5 . NAG FA . ? 0.8056 0.7855 0.7615 0.0328 0.0473 0.0052 710 NAG C O5 9040 O O6 . NAG FA . ? 0.7343 0.7105 0.6898 0.0338 0.0477 0.0034 710 NAG C O6 9041 O O7 . NAG FA . ? 1.0014 0.9953 0.9689 0.0315 0.0476 0.0114 710 NAG C O7 9042 AS AS . CAC GA . ? 0.6282 0.6199 0.6409 -0.0111 -0.0050 0.0186 711 CAC C AS 9043 O O2 . CAC GA . ? 0.3795 0.3711 0.3933 -0.0112 -0.0048 0.0191 711 CAC C O2 9044 C C1 . CAC GA . ? 0.3286 0.3224 0.3423 -0.0097 -0.0035 0.0180 711 CAC C C1 9045 C C2 . CAC GA . ? 0.4874 0.4740 0.4963 -0.0114 -0.0054 0.0176 711 CAC C C2 9046 C C1 . NAG HA . ? 0.3661 0.3726 0.3144 0.0159 0.0334 0.0213 701 NAG D C1 9047 C C2 . NAG HA . ? 0.3088 0.3195 0.2629 0.0149 0.0323 0.0227 701 NAG D C2 9048 C C3 . NAG HA . ? 0.3283 0.3419 0.2848 0.0160 0.0342 0.0246 701 NAG D C3 9049 C C4 . NAG HA . ? 0.3665 0.3800 0.3233 0.0179 0.0368 0.0249 701 NAG D C4 9050 C C5 . NAG HA . ? 0.3662 0.3753 0.3170 0.0188 0.0379 0.0234 701 NAG D C5 9051 C C6 . NAG HA . ? 0.3938 0.4027 0.3451 0.0207 0.0403 0.0236 701 NAG D C6 9052 C C7 . NAG HA . ? 0.3266 0.3397 0.2844 0.0119 0.0282 0.0231 701 NAG D C7 9053 C C8 . NAG HA . ? 0.3101 0.3236 0.2673 0.0104 0.0265 0.0235 701 NAG D C8 9054 N N2 . NAG HA . ? 0.3628 0.3734 0.3162 0.0132 0.0301 0.0226 701 NAG D N2 9055 O O3 . NAG HA . ? 0.3214 0.3389 0.2836 0.0151 0.0331 0.0259 701 NAG D O3 9056 O O4 . NAG HA . ? 0.3781 0.3939 0.3361 0.0190 0.0387 0.0268 701 NAG D O4 9057 O O5 . NAG HA . ? 0.3364 0.3429 0.2851 0.0177 0.0359 0.0216 701 NAG D O5 9058 O O6 . NAG HA . ? 0.3888 0.3991 0.3442 0.0204 0.0394 0.0232 701 NAG D O6 9059 O O7 . NAG HA . ? 0.3590 0.3739 0.3209 0.0120 0.0280 0.0232 701 NAG D O7 9060 C C1 . NAG IA . ? 0.4292 0.4488 0.3932 0.0192 0.0390 0.0283 702 NAG D C1 9061 C C2 . NAG IA . ? 0.5315 0.5520 0.4957 0.0212 0.0420 0.0297 702 NAG D C2 9062 C C3 . NAG IA . ? 0.5591 0.5839 0.5295 0.0214 0.0424 0.0318 702 NAG D C3 9063 C C4 . NAG IA . ? 0.6467 0.6741 0.6199 0.0198 0.0405 0.0327 702 NAG D C4 9064 C C5 . NAG IA . ? 0.5847 0.6109 0.5575 0.0180 0.0377 0.0311 702 NAG D C5 9065 C C6 . NAG IA . ? 0.5786 0.6072 0.5538 0.0166 0.0359 0.0321 702 NAG D C6 9066 C C7 . NAG IA . ? 0.6081 0.6230 0.5646 0.0238 0.0456 0.0283 702 NAG D C7 9067 C C8 . NAG IA . ? 0.5797 0.5922 0.5344 0.0253 0.0473 0.0273 702 NAG D C8 9068 N N2 . NAG IA . ? 0.5836 0.6014 0.5452 0.0226 0.0437 0.0287 702 NAG D N2 9069 O O3 . NAG IA . ? 0.5769 0.6025 0.5472 0.0231 0.0452 0.0333 702 NAG D O3 9070 O O4 . NAG IA . ? 0.6865 0.7178 0.6655 0.0199 0.0406 0.0345 702 NAG D O4 9071 O O5 . NAG IA . ? 0.4880 0.5103 0.4551 0.0179 0.0374 0.0294 702 NAG D O5 9072 O O6 . NAG IA . ? 0.6235 0.6512 0.5988 0.0149 0.0334 0.0307 702 NAG D O6 9073 O O7 . NAG IA . ? 0.4906 0.5047 0.4439 0.0238 0.0460 0.0286 702 NAG D O7 9074 C C1 . NAG JA . ? 1.0830 1.1145 1.0776 0.0184 0.0354 0.0295 703 NAG D C1 9075 C C2 . NAG JA . ? 1.1606 1.1950 1.1579 0.0189 0.0365 0.0318 703 NAG D C2 9076 C C3 . NAG JA . ? 1.1467 1.1842 1.1490 0.0177 0.0349 0.0330 703 NAG D C3 9077 C C4 . NAG JA . ? 1.2207 1.2575 1.2223 0.0160 0.0325 0.0319 703 NAG D C4 9078 C C5 . NAG JA . ? 1.1717 1.2058 1.1708 0.0156 0.0315 0.0297 703 NAG D C5 9079 C C6 . NAG JA . ? 1.1088 1.1422 1.1070 0.0140 0.0293 0.0288 703 NAG D C6 9080 C C7 . NAG JA . ? 1.2033 1.2376 1.1990 0.0219 0.0410 0.0335 703 NAG D C7 9081 C C8 . NAG JA . ? 1.1314 1.1647 1.1264 0.0237 0.0434 0.0337 703 NAG D C8 9082 N N2 . NAG JA . ? 1.1764 1.2113 1.1745 0.0206 0.0389 0.0328 703 NAG D N2 9083 O O3 . NAG JA . ? 1.1189 1.1589 1.1234 0.0181 0.0358 0.0352 703 NAG D O3 9084 O O4 . NAG JA . ? 1.2687 1.3081 1.2748 0.0149 0.0309 0.0328 703 NAG D O4 9085 O O5 . NAG JA . ? 1.0968 1.1282 1.0914 0.0167 0.0330 0.0287 703 NAG D O5 9086 O O6 . NAG JA . ? 1.1246 1.1591 1.1261 0.0130 0.0276 0.0286 703 NAG D O6 9087 O O7 . NAG JA . ? 1.1536 1.1880 1.1476 0.0216 0.0411 0.0340 703 NAG D O7 9088 O O . HOH KA . ? 0.3154 0.2989 0.2998 0.0117 0.0071 -0.0023 801 HOH A O 9089 O O . HOH KA . ? 0.7453 0.5816 0.6288 -0.0445 -0.0992 0.0039 802 HOH A O 9090 O O . HOH KA . ? 0.2975 0.2274 0.2565 -0.0088 -0.0374 -0.0008 803 HOH A O 9091 O O . HOH KA . ? 0.7658 0.7707 0.7900 -0.0234 -0.0230 0.0329 804 HOH A O 9092 O O . HOH KA . ? 0.5960 0.5807 0.5900 -0.0082 -0.0056 0.0125 805 HOH A O 9093 O O . HOH KA . ? 0.2787 0.2508 0.2649 0.0028 -0.0117 0.0001 806 HOH A O 9094 O O . HOH KA . ? 0.2211 0.2344 0.2428 0.0027 0.0038 0.0116 807 HOH A O 9095 O O . HOH KA . ? 0.5690 0.5900 0.5875 0.0099 0.0133 0.0112 808 HOH A O 9096 O O . HOH KA . ? 0.4712 0.4791 0.4855 0.0001 -0.0023 0.0126 809 HOH A O 9097 O O . HOH KA . ? 0.2996 0.2976 0.3074 -0.0059 -0.0130 0.0165 810 HOH A O 9098 O O . HOH KA . ? 0.3995 0.4063 0.4246 -0.0232 -0.0230 0.0335 811 HOH A O 9099 O O . HOH KA . ? 0.3883 0.3739 0.3866 -0.0132 -0.0105 0.0159 812 HOH A O 9100 O O . HOH KA . ? 0.3510 0.3150 0.3279 -0.0020 -0.0185 0.0015 813 HOH A O 9101 O O . HOH KA . ? 0.3748 0.3692 0.3593 0.0227 0.0294 0.0037 814 HOH A O 9102 O O . HOH KA . ? 0.6188 0.5194 0.5737 -0.0224 -0.0673 0.0065 815 HOH A O 9103 O O . HOH KA . ? 0.5024 0.4227 0.4681 -0.0203 -0.0591 0.0098 816 HOH A O 9104 O O . HOH KA . ? 0.4375 0.4741 0.4818 0.0112 0.0164 0.0224 817 HOH A O 9105 O O . HOH KA . ? 0.2554 0.2807 0.2871 0.0109 0.0127 0.0126 818 HOH A O 9106 O O . HOH KA . ? 0.4455 0.4083 0.4194 -0.0069 -0.0239 0.0052 819 HOH A O 9107 O O . HOH KA . ? 0.2825 0.2876 0.3111 0.0159 0.0078 0.0025 820 HOH A O 9108 O O . HOH KA . ? 0.4341 0.4216 0.4362 0.0009 -0.0113 0.0065 821 HOH A O 9109 O O . HOH KA . ? 0.6246 0.5624 0.5772 -0.0192 -0.0441 0.0091 822 HOH A O 9110 O O . HOH KA . ? 0.2655 0.2367 0.2528 0.0088 -0.0044 -0.0040 823 HOH A O 9111 O O . HOH KA . ? 0.3828 0.3785 0.4018 0.0159 0.0065 -0.0003 824 HOH A O 9112 O O . HOH KA . ? 0.4647 0.4218 0.4317 -0.0293 -0.0305 0.0203 825 HOH A O 9113 O O . HOH KA . ? 0.3811 0.4056 0.4131 0.0024 0.0034 0.0155 826 HOH A O 9114 O O . HOH KA . ? 0.6475 0.5175 0.5455 -0.0094 -0.0428 -0.0170 827 HOH A O 9115 O O . HOH KA . ? 0.3812 0.4070 0.4102 0.0022 0.0051 0.0163 828 HOH A O 9116 O O . HOH KA . ? 0.3642 0.3688 0.3703 0.0037 0.0008 0.0073 829 HOH A O 9117 O O . HOH KA . ? 0.2813 0.2919 0.2721 0.0137 0.0213 0.0106 830 HOH A O 9118 O O . HOH KA . ? 0.3967 0.4109 0.4134 0.0089 0.0085 0.0071 831 HOH A O 9119 O O . HOH KA . ? 0.2101 0.2045 0.1990 0.0162 0.0177 0.0012 832 HOH A O 9120 O O . HOH KA . ? 0.2663 0.2630 0.2731 0.0014 -0.0067 0.0082 833 HOH A O 9121 O O . HOH KA . ? 0.3939 0.3615 0.4199 -0.0047 -0.0390 0.0166 834 HOH A O 9122 O O . HOH KA . ? 0.2815 0.2971 0.3064 0.0054 0.0044 0.0097 835 HOH A O 9123 O O . HOH KA . ? 0.2555 0.2477 0.2498 0.0100 0.0055 0.0004 836 HOH A O 9124 O O . HOH KA . ? 0.3488 0.3459 0.3457 0.0234 0.0280 0.0033 837 HOH A O 9125 O O . HOH KA . ? 0.3820 0.3383 0.3878 0.0035 -0.0263 0.0007 838 HOH A O 9126 O O . HOH KA . ? 0.2807 0.2972 0.3075 0.0056 0.0043 0.0101 839 HOH A O 9127 O O . HOH KA . ? 0.2808 0.3057 0.3073 0.0062 0.0089 0.0135 840 HOH A O 9128 O O . HOH KA . ? 0.2671 0.2751 0.2876 0.0035 0.0046 0.0113 841 HOH A O 9129 O O . HOH KA . ? 0.4206 0.3605 0.3735 -0.0151 -0.0382 0.0057 842 HOH A O 9130 O O . HOH KA . ? 0.2745 0.2675 0.2632 0.0065 0.0033 0.0025 843 HOH A O 9131 O O . HOH KA . ? 0.4052 0.3595 0.3744 0.0056 -0.0102 -0.0065 844 HOH A O 9132 O O . HOH KA . ? 0.6758 0.6078 0.6293 -0.0346 -0.0359 0.0183 845 HOH A O 9133 O O . HOH KA . ? 0.3097 0.2937 0.3033 0.0211 0.0191 -0.0033 846 HOH A O 9134 O O . HOH KA . ? 0.2225 0.2161 0.2144 0.0093 0.0062 0.0012 847 HOH A O 9135 O O . HOH KA . ? 0.5197 0.5019 0.5167 -0.0134 -0.0101 0.0156 848 HOH A O 9136 O O . HOH KA . ? 0.2861 0.2512 0.2806 -0.0025 -0.0252 0.0051 849 HOH A O 9137 O O . HOH KA . ? 0.3175 0.3244 0.3381 0.0115 0.0056 0.0037 850 HOH A O 9138 O O . HOH KA . ? 0.5712 0.5532 0.5536 -0.0058 -0.0150 0.0090 851 HOH A O 9139 O O . HOH KA . ? 0.3506 0.3206 0.3680 0.0077 -0.0186 0.0013 852 HOH A O 9140 O O . HOH KA . ? 0.4338 0.4166 0.4719 -0.0002 -0.0301 0.0183 853 HOH A O 9141 O O . HOH KA . ? 0.3957 0.3814 0.3763 0.0078 0.0041 0.0000 854 HOH A O 9142 O O . HOH KA . ? 0.2576 0.2850 0.2882 0.0086 0.0117 0.0147 855 HOH A O 9143 O O . HOH KA . ? 0.4359 0.4215 0.4024 0.0059 0.0062 0.0024 856 HOH A O 9144 O O . HOH KA . ? 0.2229 0.1911 0.2232 0.0184 0.0045 -0.0075 857 HOH A O 9145 O O . HOH KA . ? 0.5278 0.4464 0.4566 0.0093 -0.0061 -0.0167 858 HOH A O 9146 O O . HOH KA . ? 0.2067 0.2221 0.2218 0.0068 0.0075 0.0085 859 HOH A O 9147 O O . HOH KA . ? 0.5801 0.5707 0.5953 0.0047 -0.0104 0.0061 860 HOH A O 9148 O O . HOH KA . ? 0.3294 0.3379 0.3479 0.0188 0.0192 0.0050 861 HOH A O 9149 O O . HOH KA . ? 0.2445 0.2613 0.2556 0.0153 0.0208 0.0106 862 HOH A O 9150 O O . HOH KA . ? 0.2986 0.2944 0.2894 0.0050 0.0022 0.0040 863 HOH A O 9151 O O . HOH KA . ? 0.4546 0.4298 0.4672 0.0178 0.0022 -0.0051 864 HOH A O 9152 O O . HOH KA . ? 0.6164 0.6438 0.6466 0.0042 0.0072 0.0161 865 HOH A O 9153 O O . HOH KA . ? 0.3760 0.3958 0.4115 0.0131 0.0102 0.0083 866 HOH A O 9154 O O . HOH KA . ? 0.5456 0.4972 0.4956 0.0219 0.0203 -0.0111 867 HOH A O 9155 O O . HOH KA . ? 0.6494 0.5777 0.6307 -0.0223 -0.0633 0.0168 868 HOH A O 9156 O O . HOH KA . ? 0.4684 0.4642 0.4562 0.0029 0.0007 0.0055 869 HOH A O 9157 O O . HOH KA . ? 0.2514 0.2315 0.2253 0.0132 0.0113 -0.0028 870 HOH A O 9158 O O . HOH KA . ? 0.3804 0.3892 0.3998 0.0115 0.0073 0.0042 871 HOH A O 9159 O O . HOH KA . ? 0.3330 0.2958 0.3030 -0.0128 -0.0101 0.0113 872 HOH A O 9160 O O . HOH KA . ? 0.3778 0.3831 0.3843 -0.0021 -0.0043 0.0129 873 HOH A O 9161 O O . HOH KA . ? 0.5722 0.5568 0.5699 -0.0018 -0.0144 0.0079 874 HOH A O 9162 O O . HOH KA . ? 0.4797 0.4227 0.4511 -0.0145 -0.0425 0.0088 875 HOH A O 9163 O O . HOH KA . ? 0.4451 0.4490 0.4392 0.0049 0.0054 0.0069 876 HOH A O 9164 O O . HOH KA . ? 0.5276 0.4335 0.4713 -0.0193 -0.0567 0.0023 877 HOH A O 9165 O O . HOH KA . ? 0.3026 0.2815 0.3150 0.0204 0.0086 -0.0050 878 HOH A O 9166 O O . HOH KA . ? 0.4473 0.4187 0.4136 0.0025 -0.0052 -0.0008 879 HOH A O 9167 O O . HOH KA . ? 0.4060 0.3921 0.4011 -0.0025 -0.0133 0.0083 880 HOH A O 9168 O O . HOH KA . ? 0.2657 0.2839 0.2848 0.0044 0.0060 0.0107 881 HOH A O 9169 O O . HOH KA . ? 0.5596 0.5010 0.5505 -0.0262 -0.0639 0.0257 882 HOH A O 9170 O O . HOH KA . ? 0.3309 0.3247 0.3589 0.0112 -0.0060 0.0034 883 HOH A O 9171 O O . HOH KA . ? 0.2515 0.2631 0.2708 0.0109 0.0084 0.0053 884 HOH A O 9172 O O . HOH KA . ? 0.3604 0.3063 0.3469 0.0175 -0.0015 -0.0120 885 HOH A O 9173 O O . HOH KA . ? 0.3270 0.2943 0.2802 0.0087 0.0058 -0.0040 886 HOH A O 9174 O O . HOH KA . ? 0.3336 0.3454 0.3541 0.0011 0.0035 0.0122 887 HOH A O 9175 O O . HOH KA . ? 0.4433 0.4519 0.4562 -0.0009 -0.0024 0.0134 888 HOH A O 9176 O O . HOH KA . ? 0.2234 0.2406 0.2451 0.0038 0.0048 0.0108 889 HOH A O 9177 O O . HOH KA . ? 0.3414 0.2980 0.3052 -0.0028 -0.0185 -0.0005 890 HOH A O 9178 O O . HOH KA . ? 0.2392 0.2684 0.2748 0.0058 0.0080 0.0166 891 HOH A O 9179 O O . HOH KA . ? 0.6231 0.6310 0.6069 0.0165 0.0261 0.0111 892 HOH A O 9180 O O . HOH KA . ? 0.4095 0.4312 0.4201 0.0131 0.0202 0.0142 893 HOH A O 9181 O O . HOH KA . ? 0.4082 0.4183 0.3986 0.0093 0.0152 0.0100 894 HOH A O 9182 O O . HOH KA . ? 0.2328 0.2280 0.2359 -0.0073 -0.0149 0.0164 895 HOH A O 9183 O O . HOH KA . ? 0.5742 0.4746 0.5186 -0.0230 -0.0643 0.0049 896 HOH A O 9184 O O . HOH KA . ? 0.2657 0.2250 0.2547 0.0149 -0.0011 -0.0088 897 HOH A O 9185 O O . HOH KA . ? 0.3487 0.2907 0.2907 0.0147 0.0074 -0.0129 898 HOH A O 9186 O O . HOH KA . ? 0.7441 0.7328 0.7397 -0.0148 -0.0244 0.0218 899 HOH A O 9187 O O . HOH KA . ? 0.4481 0.4080 0.3941 0.0127 0.0107 -0.0069 900 HOH A O 9188 O O . HOH KA . ? 0.3476 0.3469 0.3652 0.0204 0.0170 0.0010 901 HOH A O 9189 O O . HOH KA . ? 0.4219 0.3504 0.3389 0.0029 -0.0074 -0.0112 902 HOH A O 9190 O O . HOH KA . ? 0.5756 0.5159 0.5311 0.0142 0.0014 -0.0135 903 HOH A O 9191 O O . HOH KA . ? 0.1560 0.1755 0.1795 0.0023 0.0044 0.0127 904 HOH A O 9192 O O . HOH KA . ? 0.4502 0.4082 0.4420 0.0134 -0.0051 -0.0082 905 HOH A O 9193 O O . HOH KA . ? 0.2286 0.2272 0.2495 0.0110 -0.0004 0.0026 906 HOH A O 9194 O O . HOH KA . ? 0.2426 0.2081 0.2083 0.0162 0.0120 -0.0076 907 HOH A O 9195 O O . HOH KA . ? 0.5189 0.5200 0.5388 0.0056 -0.0044 0.0076 908 HOH A O 9196 O O . HOH KA . ? 0.6635 0.5436 0.5642 -0.0244 -0.0599 -0.0036 909 HOH A O 9197 O O . HOH KA . ? 0.2830 0.2742 0.2659 0.0133 0.0138 0.0006 910 HOH A O 9198 O O . HOH KA . ? 0.6194 0.6018 0.5827 0.0224 0.0298 0.0009 911 HOH A O 9199 O O . HOH KA . ? 0.3731 0.3909 0.3887 0.0155 0.0203 0.0106 912 HOH A O 9200 O O . HOH KA . ? 0.4575 0.3836 0.3809 0.0157 0.0085 -0.0165 913 HOH A O 9201 O O . HOH KA . ? 0.3551 0.3599 0.3725 0.0034 -0.0027 0.0096 914 HOH A O 9202 O O . HOH KA . ? 0.2522 0.2148 0.2302 0.0090 -0.0047 -0.0063 915 HOH A O 9203 O O . HOH KA . ? 0.3072 0.3054 0.3009 0.0020 -0.0009 0.0067 916 HOH A O 9204 O O . HOH KA . ? 0.3103 0.2844 0.2826 0.0088 0.0026 -0.0035 917 HOH A O 9205 O O . HOH KA . ? 0.5007 0.4525 0.4719 0.0227 0.0150 -0.0123 918 HOH A O 9206 O O . HOH KA . ? 0.5106 0.4540 0.4949 0.0083 -0.0167 -0.0082 919 HOH A O 9207 O O . HOH KA . ? 0.5890 0.6154 0.6243 0.0119 0.0135 0.0133 920 HOH A O 9208 O O . HOH KA . ? 0.3306 0.3336 0.3202 0.0059 0.0076 0.0066 921 HOH A O 9209 O O . HOH KA . ? 0.3594 0.3603 0.3582 -0.0009 -0.0039 0.0100 922 HOH A O 9210 O O . HOH KA . ? 0.5308 0.5136 0.4966 0.0024 0.0005 0.0030 923 HOH A O 9211 O O . HOH KA . ? 0.4276 0.4487 0.4615 0.0108 0.0085 0.0092 924 HOH A O 9212 O O . HOH KA . ? 0.2835 0.2974 0.2991 0.0073 0.0070 0.0076 925 HOH A O 9213 O O . HOH KA . ? 0.5254 0.5208 0.5381 0.0047 -0.0064 0.0060 926 HOH A O 9214 O O . HOH KA . ? 0.6416 0.6693 0.6773 0.0088 0.0102 0.0143 927 HOH A O 9215 O O . HOH KA . ? 0.2876 0.2383 0.2483 -0.0262 -0.0261 0.0164 928 HOH A O 9216 O O . HOH KA . ? 0.2616 0.2820 0.2955 0.0122 0.0100 0.0088 929 HOH A O 9217 O O . HOH KA . ? 0.3433 0.3628 0.3680 -0.0014 0.0015 0.0160 930 HOH A O 9218 O O . HOH KA . ? 0.5761 0.5428 0.5305 0.0314 0.0405 -0.0030 931 HOH A O 9219 O O . HOH KA . ? 0.3403 0.2994 0.3193 0.0064 -0.0105 -0.0054 932 HOH A O 9220 O O . HOH KA . ? 0.4468 0.3972 0.4177 0.0033 -0.0159 -0.0056 933 HOH A O 9221 O O . HOH KA . ? 0.3281 0.3124 0.3071 0.0002 -0.0058 0.0041 934 HOH A O 9222 O O . HOH KA . ? 0.2003 0.1882 0.1846 0.0058 0.0013 0.0014 935 HOH A O 9223 O O . HOH KA . ? 0.6087 0.5223 0.5199 0.0129 0.0032 -0.0187 936 HOH A O 9224 O O . HOH KA . ? 0.3828 0.3483 0.3557 0.0232 0.0210 -0.0082 937 HOH A O 9225 O O . HOH KA . ? 0.1707 0.1929 0.1942 0.0029 0.0058 0.0135 938 HOH A O 9226 O O . HOH KA . ? 0.4436 0.4538 0.4527 0.0058 0.0053 0.0074 939 HOH A O 9227 O O . HOH KA . ? 0.2782 0.2804 0.2949 0.0198 0.0180 0.0022 940 HOH A O 9228 O O . HOH KA . ? 0.2171 0.2140 0.2029 0.0105 0.0116 0.0031 941 HOH A O 9229 O O . HOH KA . ? 0.3300 0.3343 0.3561 0.0021 -0.0062 0.0148 942 HOH A O 9230 O O . HOH KA . ? 0.5205 0.5168 0.4926 0.0088 0.0135 0.0060 943 HOH A O 9231 O O . HOH KA . ? 0.2065 0.2321 0.2350 0.0049 0.0075 0.0144 944 HOH A O 9232 O O . HOH KA . ? 0.6620 0.5891 0.6064 -0.0209 -0.0486 0.0075 945 HOH A O 9233 O O . HOH KA . ? 0.4261 0.3731 0.3963 0.0010 -0.0204 -0.0046 946 HOH A O 9234 O O . HOH KA . ? 0.3751 0.3053 0.3207 0.0122 -0.0025 -0.0152 947 HOH A O 9235 O O . HOH KA . ? 0.5995 0.6112 0.6280 0.0168 0.0137 0.0051 948 HOH A O 9236 O O . HOH KA . ? 0.5515 0.5096 0.5189 0.0194 0.0133 -0.0103 949 HOH A O 9237 O O . HOH KA . ? 0.4720 0.4654 0.4750 -0.0019 -0.0108 0.0104 950 HOH A O 9238 O O . HOH KA . ? 0.4674 0.4719 0.4841 0.0026 0.0044 0.0111 951 HOH A O 9239 O O . HOH KA . ? 0.3333 0.3302 0.3435 0.0211 0.0197 0.0007 952 HOH A O 9240 O O . HOH KA . ? 0.5065 0.4382 0.4720 0.0128 -0.0078 -0.0142 953 HOH A O 9241 O O . HOH KA . ? 0.4223 0.4367 0.4315 0.0063 0.0082 0.0090 954 HOH A O 9242 O O . HOH KA . ? 0.4294 0.3736 0.4253 -0.0100 -0.0459 0.0100 955 HOH A O 9243 O O . HOH KA . ? 0.4470 0.4387 0.4423 0.0235 0.0262 0.0006 956 HOH A O 9244 O O . HOH KA . ? 0.6461 0.6516 0.6614 -0.0037 -0.0002 0.0140 957 HOH A O 9245 O O . HOH KA . ? 0.3960 0.4161 0.4157 0.0044 0.0068 0.0117 958 HOH A O 9246 O O . HOH KA . ? 0.5088 0.4448 0.4744 0.0151 -0.0022 -0.0144 959 HOH A O 9247 O O . HOH KA . ? 0.2004 0.2180 0.2140 0.0236 0.0334 0.0149 960 HOH A O 9248 O O . HOH KA . ? 0.4850 0.4567 0.4913 -0.0033 -0.0271 0.0097 961 HOH A O 9249 O O . HOH KA . ? 0.5217 0.4782 0.4860 -0.0148 -0.0120 0.0110 962 HOH A O 9250 O O . HOH KA . ? 0.4201 0.4118 0.4328 0.0158 0.0068 -0.0015 963 HOH A O 9251 O O . HOH KA . ? 0.4547 0.4665 0.4760 0.0014 0.0038 0.0126 964 HOH A O 9252 O O . HOH KA . ? 0.2849 0.2988 0.3058 -0.0032 -0.0004 0.0155 965 HOH A O 9253 O O . HOH KA . ? 0.3269 0.3104 0.3478 0.0066 -0.0147 0.0048 966 HOH A O 9254 O O . HOH KA . ? 0.7250 0.6400 0.6247 0.0027 -0.0078 -0.0140 967 HOH A O 9255 O O . HOH KA . ? 0.2647 0.2877 0.2971 0.0081 0.0074 0.0111 968 HOH A O 9256 O O . HOH KA . ? 0.5569 0.4406 0.4847 -0.0159 -0.0565 -0.0066 969 HOH A O 9257 O O . HOH KA . ? 0.7680 0.6838 0.6653 0.0061 -0.0017 -0.0150 970 HOH A O 9258 O O . HOH KA . ? 0.3034 0.3213 0.3332 0.0126 0.0106 0.0076 971 HOH A O 9259 O O . HOH KA . ? 0.2657 0.2489 0.2388 0.0065 0.0037 0.0003 972 HOH A O 9260 O O . HOH KA . ? 0.5057 0.5198 0.5262 0.0036 0.0036 0.0104 973 HOH A O 9261 O O . HOH KA . ? 0.4389 0.4457 0.4532 0.0023 -0.0013 0.0100 974 HOH A O 9262 O O . HOH KA . ? 0.3769 0.3797 0.3911 -0.0020 -0.0076 0.0145 975 HOH A O 9263 O O . HOH KA . ? 0.3119 0.2907 0.2821 -0.0004 -0.0064 0.0030 976 HOH A O 9264 O O . HOH KA . ? 0.8520 0.7539 0.7489 -0.0070 -0.0259 -0.0122 977 HOH A O 9265 O O . HOH KA . ? 0.3782 0.3793 0.3743 0.0012 -0.0009 0.0081 978 HOH A O 9266 O O . HOH KA . ? 0.7344 0.7203 0.7148 -0.0088 -0.0154 0.0124 979 HOH A O 9267 O O . HOH KA . ? 0.5469 0.5430 0.5546 -0.0006 0.0025 0.0111 980 HOH A O 9268 O O . HOH KA . ? 0.1713 0.1876 0.1964 0.0038 0.0037 0.0111 981 HOH A O 9269 O O . HOH KA . ? 0.3130 0.3120 0.3370 0.0174 0.0089 0.0005 982 HOH A O 9270 O O . HOH KA . ? 0.6477 0.6025 0.5939 0.0024 -0.0063 -0.0048 983 HOH A O 9271 O O . HOH KA . ? 0.4617 0.4783 0.4711 0.0068 0.0100 0.0102 984 HOH A O 9272 O O . HOH KA . ? 0.7583 0.7857 0.7861 0.0139 0.0196 0.0161 985 HOH A O 9273 O O . HOH KA . ? 0.3798 0.3355 0.3253 0.0161 0.0142 -0.0089 986 HOH A O 9274 O O . HOH KA . ? 0.4086 0.3692 0.3383 0.0076 0.0089 -0.0029 987 HOH A O 9275 O O . HOH KA . ? 0.5416 0.5564 0.5565 0.0058 0.0063 0.0087 988 HOH A O 9276 O O . HOH KA . ? 0.6216 0.5542 0.6110 -0.0243 -0.0663 0.0217 989 HOH A O 9277 O O . HOH KA . ? 0.3639 0.3689 0.3813 0.0022 0.0044 0.0115 990 HOH A O 9278 O O . HOH KA . ? 0.6843 0.5954 0.6050 -0.0187 -0.0454 -0.0005 991 HOH A O 9279 O O . HOH KA . ? 0.2788 0.2575 0.2687 -0.0078 -0.0042 0.0114 992 HOH A O 9280 O O . HOH KA . ? 0.6570 0.5831 0.5741 0.0058 -0.0043 -0.0132 993 HOH A O 9281 O O . HOH KA . ? 0.4805 0.4599 0.5026 0.0069 -0.0170 0.0043 994 HOH A O 9282 O O . HOH KA . ? 0.2482 0.2172 0.2482 0.0205 0.0086 -0.0077 995 HOH A O 9283 O O . HOH KA . ? 0.6126 0.6302 0.6185 0.0044 0.0087 0.0123 996 HOH A O 9284 O O . HOH KA . ? 0.4606 0.3977 0.4015 0.0166 0.0088 -0.0146 997 HOH A O 9285 O O . HOH KA . ? 0.4056 0.4036 0.3896 0.0071 0.0082 0.0048 998 HOH A O 9286 O O . HOH KA . ? 0.4520 0.4260 0.4193 -0.0016 -0.0094 0.0026 999 HOH A O 9287 O O . HOH KA . ? 0.2974 0.3202 0.3188 0.0157 0.0214 0.0136 1000 HOH A O 9288 O O . HOH KA . ? 0.2655 0.2839 0.2880 0.0028 0.0047 0.0119 1001 HOH A O 9289 O O . HOH KA . ? 0.4598 0.4203 0.4127 0.0241 0.0265 -0.0078 1002 HOH A O 9290 O O . HOH KA . ? 0.5074 0.5234 0.5356 0.0174 0.0178 0.0078 1003 HOH A O 9291 O O . HOH KA . ? 0.5481 0.5565 0.5699 0.0031 0.0046 0.0122 1004 HOH A O 9292 O O . HOH KA . ? 0.3117 0.2952 0.3194 0.0230 0.0173 -0.0038 1005 HOH A O 9293 O O . HOH KA . ? 0.5826 0.5489 0.5448 0.0036 -0.0047 -0.0028 1006 HOH A O 9294 O O . HOH KA . ? 0.3415 0.3469 0.3568 -0.0025 -0.0064 0.0157 1007 HOH A O 9295 O O . HOH KA . ? 0.4026 0.3894 0.4168 0.0045 -0.0125 0.0056 1008 HOH A O 9296 O O . HOH KA . ? 0.5742 0.5082 0.5054 0.0180 0.0128 -0.0150 1009 HOH A O 9297 O O . HOH KA . ? 0.4522 0.4791 0.4782 0.0095 0.0139 0.0149 1010 HOH A O 9298 O O . HOH KA . ? 0.7447 0.7663 0.7830 0.0156 0.0143 0.0098 1011 HOH A O 9299 O O . HOH KA . ? 0.2837 0.2806 0.3156 0.0125 -0.0042 0.0035 1012 HOH A O 9300 O O . HOH KA . ? 0.4939 0.4938 0.4817 0.0089 0.0104 0.0045 1013 HOH A O 9301 O O . HOH KA . ? 0.4985 0.5105 0.5187 0.0000 0.0029 0.0129 1014 HOH A O 9302 O O . HOH KA . ? 0.5915 0.5608 0.5963 0.0185 0.0035 -0.0070 1015 HOH A O 9303 O O . HOH KA . ? 0.4482 0.4115 0.4221 -0.0042 -0.0205 0.0029 1016 HOH A O 9304 O O . HOH KA . ? 0.5842 0.5968 0.6106 0.0177 0.0167 0.0060 1017 HOH A O 9305 O O . HOH KA . ? 0.2495 0.2191 0.2581 -0.0041 -0.0301 0.0109 1018 HOH A O 9306 O O . HOH KA . ? 0.6067 0.5792 0.5653 0.0284 0.0367 -0.0018 1019 HOH A O 9307 O O . HOH KA . ? 0.5206 0.5246 0.5244 -0.0037 -0.0061 0.0141 1020 HOH A O 9308 O O . HOH KA . ? 0.3617 0.3516 0.3624 -0.0033 -0.0137 0.0109 1021 HOH A O 9309 O O . HOH KA . ? 0.4458 0.4052 0.4433 0.0148 -0.0043 -0.0080 1022 HOH A O 9310 O O . HOH KA . ? 0.6029 0.6307 0.6293 0.0109 0.0160 0.0159 1023 HOH A O 9311 O O . HOH KA . ? 0.4069 0.3688 0.3515 0.0106 0.0090 -0.0056 1024 HOH A O 9312 O O . HOH KA . ? 0.3089 0.3114 0.3249 -0.0041 -0.0101 0.0175 1025 HOH A O 9313 O O . HOH KA . ? 0.5105 0.4300 0.4432 0.0116 -0.0034 -0.0174 1026 HOH A O 9314 O O . HOH KA . ? 0.4303 0.4510 0.4448 0.0159 0.0227 0.0134 1027 HOH A O 9315 O O . HOH KA . ? 0.4819 0.4404 0.4283 0.0234 0.0266 -0.0078 1028 HOH A O 9316 O O . HOH KA . ? 0.6067 0.6349 0.6344 0.0078 0.0120 0.0159 1029 HOH A O 9317 O O . HOH KA . ? 0.3035 0.2900 0.3025 0.0232 0.0219 -0.0023 1030 HOH A O 9318 O O . HOH KA . ? 0.7160 0.5341 0.5758 -0.0425 -0.0964 -0.0044 1031 HOH A O 9319 O O . HOH KA . ? 0.4834 0.4968 0.4943 0.0069 0.0078 0.0081 1032 HOH A O 9320 O O . HOH KA . ? 0.6625 0.5559 0.5552 -0.0084 -0.0300 -0.0134 1033 HOH A O 9321 O O . HOH KA . ? 0.4460 0.4686 0.4669 0.0231 0.0331 0.0176 1034 HOH A O 9322 O O . HOH KA . ? 0.2532 0.2800 0.2816 0.0074 0.0106 0.0146 1035 HOH A O 9323 O O . HOH KA . ? 0.4259 0.4537 0.4628 0.0053 0.0060 0.0156 1036 HOH A O 9324 O O . HOH KA . ? 0.3855 0.3833 0.3970 -0.0071 -0.0151 0.0189 1037 HOH A O 9325 O O . HOH KA . ? 0.6487 0.6042 0.5896 0.0170 0.0169 -0.0085 1038 HOH A O 9326 O O . HOH KA . ? 0.5174 0.5450 0.5553 0.0048 0.0049 0.0158 1039 HOH A O 9327 O O . HOH KA . ? 0.5346 0.5066 0.5349 -0.0024 -0.0235 0.0073 1040 HOH A O 9328 O O . HOH KA . ? 0.5443 0.5048 0.5361 0.0169 0.0018 -0.0090 1041 HOH A O 9329 O O . HOH KA . ? 0.4446 0.4149 0.4488 0.0222 0.0108 -0.0074 1042 HOH A O 9330 O O . HOH KA . ? 0.6688 0.6808 0.6990 -0.0223 -0.0217 0.0352 1043 HOH A O 9331 O O . HOH KA . ? 0.5079 0.5091 0.5235 0.0022 0.0052 0.0118 1044 HOH A O 9332 O O . HOH KA . ? 0.6130 0.6360 0.6544 0.0176 0.0178 0.0114 1045 HOH A O 9333 O O . HOH KA . ? 0.6813 0.6898 0.7039 0.0027 0.0045 0.0131 1046 HOH A O 9334 O O . HOH KA . ? 0.3185 0.3181 0.3427 0.0099 -0.0027 0.0042 1047 HOH A O 9335 O O . HOH KA . ? 0.5747 0.5135 0.5579 0.0170 -0.0040 -0.0132 1048 HOH A O 9336 O O . HOH KA . ? 0.3752 0.3739 0.3858 -0.0041 -0.0001 0.0133 1049 HOH A O 9337 O O . HOH KA . ? 0.3497 0.3749 0.3718 0.0154 0.0221 0.0155 1050 HOH A O 9338 O O . HOH KA . ? 0.4525 0.4099 0.4635 0.0047 -0.0261 0.0009 1051 HOH A O 9339 O O . HOH KA . ? 0.3408 0.3653 0.3661 0.0173 0.0238 0.0152 1052 HOH A O 9340 O O . HOH KA . ? 0.4046 0.4316 0.4428 0.0090 0.0089 0.0134 1053 HOH A O 9341 O O . HOH KA . ? 0.2690 0.2731 0.2858 -0.0027 -0.0079 0.0163 1054 HOH A O 9342 O O . HOH KA . ? 0.3418 0.3075 0.2996 0.0269 0.0317 -0.0055 1055 HOH A O 9343 O O . HOH KA . ? 0.7855 0.8257 0.8346 0.0106 0.0166 0.0260 1056 HOH A O 9344 O O . HOH KA . ? 0.5435 0.5670 0.5788 0.0093 0.0079 0.0109 1057 HOH A O 9345 O O . HOH KA . ? 0.6119 0.6367 0.6551 0.0163 0.0160 0.0120 1058 HOH A O 9346 O O . HOH KA . ? 0.5581 0.5681 0.5677 0.0045 0.0038 0.0081 1059 HOH A O 9347 O O . HOH KA . ? 0.7173 0.7327 0.7493 -0.0206 -0.0195 0.0348 1060 HOH A O 9348 O O . HOH KA . ? 0.4928 0.4998 0.5224 0.0173 0.0111 0.0032 1061 HOH A O 9349 O O . HOH KA . ? 0.6123 0.6215 0.6424 0.0174 0.0124 0.0040 1062 HOH A O 9350 O O . HOH KA . ? 0.6916 0.7116 0.7323 0.0199 0.0200 0.0104 1063 HOH A O 9351 O O . HOH KA . ? 0.6248 0.6536 0.6645 0.0075 0.0079 0.0152 1064 HOH A O 9352 O O . HOH LA . ? 0.3784 0.3023 0.3121 -0.0360 -0.0376 0.0167 801 HOH B O 9353 O O . HOH LA . ? 0.2040 0.1921 0.2014 -0.0325 -0.0358 0.0335 802 HOH B O 9354 O O . HOH LA . ? 0.4834 0.4624 0.4706 -0.0328 -0.0358 0.0302 803 HOH B O 9355 O O . HOH LA . ? 0.3003 0.3168 0.3319 0.0095 0.0047 0.0080 804 HOH B O 9356 O O . HOH LA . ? 0.6964 0.6295 0.6562 -0.0593 -0.0696 0.0397 805 HOH B O 9357 O O . HOH LA . ? 0.7824 0.7973 0.8106 -0.0194 -0.0191 0.0325 806 HOH B O 9358 O O . HOH LA . ? 0.4966 0.5060 0.5245 0.0057 0.0012 0.0121 807 HOH B O 9359 O O . HOH LA . ? 0.6641 0.6803 0.6959 -0.0248 -0.0261 0.0392 808 HOH B O 9360 O O . HOH LA . ? 0.3611 0.3835 0.3924 -0.0004 -0.0002 0.0172 809 HOH B O 9361 O O . HOH LA . ? 0.5201 0.5429 0.5546 -0.0152 -0.0150 0.0322 810 HOH B O 9362 O O . HOH LA . ? 0.3217 0.3367 0.3477 0.0060 0.0043 0.0096 811 HOH B O 9363 O O . HOH LA . ? 0.4469 0.3977 0.4068 -0.0459 -0.0516 0.0324 812 HOH B O 9364 O O . HOH LA . ? 0.4598 0.4682 0.4862 0.0053 -0.0005 0.0114 813 HOH B O 9365 O O . HOH LA . ? 0.6535 0.6563 0.6678 -0.0182 -0.0177 0.0255 814 HOH B O 9366 O O . HOH LA . ? 0.2179 0.2325 0.2413 0.0045 0.0042 0.0101 815 HOH B O 9367 O O . HOH LA . ? 0.2659 0.2878 0.2987 0.0081 0.0064 0.0105 816 HOH B O 9368 O O . HOH LA . ? 0.4873 0.4262 0.4513 -0.0550 -0.0640 0.0377 817 HOH B O 9369 O O . HOH LA . ? 0.3822 0.3170 0.3313 -0.0334 -0.0346 0.0176 818 HOH B O 9370 O O . HOH LA . ? 0.3069 0.3201 0.3356 0.0076 0.0037 0.0096 819 HOH B O 9371 O O . HOH LA . ? 0.2728 0.2845 0.2981 0.0059 0.0032 0.0100 820 HOH B O 9372 O O . HOH LA . ? 0.1869 0.1912 0.2096 0.0065 0.0067 0.0125 821 HOH B O 9373 O O . HOH LA . ? 0.3247 0.3088 0.3182 -0.0065 -0.0037 0.0117 822 HOH B O 9374 O O . HOH LA . ? 0.2957 0.2988 0.3156 0.0058 0.0067 0.0119 823 HOH B O 9375 O O . HOH LA . ? 0.4387 0.4487 0.4568 -0.0114 -0.0110 0.0218 824 HOH B O 9376 O O . HOH LA . ? 0.2806 0.3014 0.3123 0.0057 0.0041 0.0117 825 HOH B O 9377 O O . HOH LA . ? 0.3302 0.3452 0.3536 0.0009 0.0012 0.0131 826 HOH B O 9378 O O . HOH LA . ? 0.3821 0.3979 0.4073 -0.0136 -0.0136 0.0266 827 HOH B O 9379 O O . HOH LA . ? 0.7682 0.6970 0.7232 -0.0288 -0.0275 0.0144 828 HOH B O 9380 O O . HOH LA . ? 0.3005 0.3056 0.3191 0.0037 0.0051 0.0112 829 HOH B O 9381 O O . HOH LA . ? 0.3826 0.3936 0.4110 0.0079 0.0017 0.0088 830 HOH B O 9382 O O . HOH LA . ? 0.2709 0.2815 0.2931 0.0046 0.0040 0.0107 831 HOH B O 9383 O O . HOH LA . ? 0.4112 0.4072 0.4178 -0.0007 0.0018 0.0110 832 HOH B O 9384 O O . HOH LA . ? 0.4312 0.4399 0.4593 0.0056 0.0032 0.0135 833 HOH B O 9385 O O . HOH LA . ? 0.5670 0.5765 0.5931 0.0044 0.0016 0.0127 834 HOH B O 9386 O O . HOH LA . ? 0.4819 0.4926 0.5086 0.0074 0.0048 0.0108 835 HOH B O 9387 O O . HOH LA . ? 0.4079 0.4232 0.4360 0.0068 0.0042 0.0098 836 HOH B O 9388 O O . HOH LA . ? 0.4498 0.4379 0.4436 -0.0130 -0.0123 0.0166 837 HOH B O 9389 O O . HOH LA . ? 0.3969 0.3498 0.3588 -0.0423 -0.0470 0.0298 838 HOH B O 9390 O O . HOH LA . ? 0.4227 0.4401 0.4541 0.0078 0.0042 0.0099 839 HOH B O 9391 O O . HOH LA . ? 0.6314 0.6263 0.6451 -0.0324 -0.0353 0.0372 840 HOH B O 9392 O O . HOH LA . ? 0.6015 0.6058 0.6204 -0.0240 -0.0248 0.0322 841 HOH B O 9393 O O . HOH LA . ? 0.3867 0.3805 0.3955 0.0041 0.0069 0.0109 842 HOH B O 9394 O O . HOH LA . ? 0.3773 0.3795 0.3948 0.0061 0.0066 0.0113 843 HOH B O 9395 O O . HOH LA . ? 0.5102 0.4991 0.5087 -0.0042 -0.0014 0.0114 844 HOH B O 9396 O O . HOH LA . ? 0.3966 0.4237 0.4327 0.0028 0.0035 0.0170 845 HOH B O 9397 O O . HOH LA . ? 0.4520 0.4782 0.4861 -0.0009 0.0005 0.0195 846 HOH B O 9398 O O . HOH LA . ? 0.3608 0.3537 0.3641 -0.0056 -0.0025 0.0126 847 HOH B O 9399 O O . HOH LA . ? 0.2132 0.2288 0.2386 0.0041 0.0035 0.0110 848 HOH B O 9400 O O . HOH LA . ? 0.4749 0.4755 0.4869 0.0033 0.0041 0.0109 849 HOH B O 9401 O O . HOH LA . ? 0.4807 0.4893 0.5091 0.0069 0.0042 0.0128 850 HOH B O 9402 O O . HOH LA . ? 0.4506 0.4316 0.4383 -0.0321 -0.0351 0.0304 851 HOH B O 9403 O O . HOH LA . ? 0.5582 0.5701 0.5862 0.0073 0.0035 0.0101 852 HOH B O 9404 O O . HOH LA . ? 0.5078 0.5137 0.5291 0.0034 0.0053 0.0127 853 HOH B O 9405 O O . HOH LA . ? 0.2427 0.2571 0.2686 0.0057 0.0041 0.0101 854 HOH B O 9406 O O . HOH LA . ? 0.3956 0.3870 0.3958 -0.0320 -0.0352 0.0344 855 HOH B O 9407 O O . HOH LA . ? 0.5449 0.5768 0.5925 -0.0177 -0.0182 0.0406 856 HOH B O 9408 O O . HOH LA . ? 0.4594 0.4933 0.5085 -0.0145 -0.0144 0.0385 857 HOH B O 9409 O O . HOH LA . ? 0.4017 0.4111 0.4244 0.0059 0.0047 0.0107 858 HOH B O 9410 O O . HOH MA . ? 0.3778 0.3752 0.4007 -0.0071 0.0016 0.0206 801 HOH C O 9411 O O . HOH MA . ? 0.5336 0.5361 0.5677 0.0039 0.0082 0.0227 802 HOH C O 9412 O O . HOH MA . ? 0.5848 0.5836 0.6075 0.0052 0.0090 0.0158 803 HOH C O 9413 O O . HOH MA . ? 0.4839 0.4227 0.5248 0.0188 0.0479 0.0410 804 HOH C O 9414 O O . HOH MA . ? 0.4461 0.4548 0.4861 -0.0051 0.0049 0.0287 805 HOH C O 9415 O O . HOH MA . ? 0.4938 0.4239 0.5201 0.0169 0.0449 0.0343 806 HOH C O 9416 O O . HOH MA . ? 0.2415 0.1752 0.1035 0.0203 0.0357 -0.0018 807 HOH C O 9417 O O . HOH MA . ? 0.4312 0.4129 0.4893 0.0055 0.0253 0.0422 808 HOH C O 9418 O O . HOH MA . ? 0.4815 0.4872 0.5214 0.0007 0.0066 0.0273 809 HOH C O 9419 O O . HOH MA . ? 0.6761 0.6736 0.6541 0.0345 0.0513 0.0135 810 HOH C O 9420 O O . HOH MA . ? 0.5605 0.5700 0.5982 -0.0044 0.0045 0.0271 811 HOH C O 9421 O O . HOH MA . ? 0.4303 0.4348 0.4804 -0.0143 -0.0015 0.0360 812 HOH C O 9422 O O . HOH MA . ? 0.5620 0.5400 0.5660 -0.0097 -0.0024 0.0158 813 HOH C O 9423 O O . HOH MA . ? 0.4665 0.4739 0.4632 -0.0027 -0.0016 0.0134 814 HOH C O 9424 O O . HOH MA . ? 0.5185 0.5062 0.5705 -0.0125 0.0033 0.0372 815 HOH C O 9425 O O . HOH MA . ? 0.5630 0.5206 0.5976 0.0135 0.0352 0.0341 816 HOH C O 9426 O O . HOH MA . ? 0.3633 0.3447 0.3087 0.0159 0.0246 0.0036 817 HOH C O 9427 O O . HOH MA . ? 0.4510 0.4705 0.4928 -0.0091 0.0007 0.0317 818 HOH C O 9428 O O . HOH MA . ? 0.6725 0.6821 0.6996 0.0007 0.0031 0.0176 819 HOH C O 9429 O O . HOH MA . ? 0.3300 0.3262 0.4103 -0.0041 0.0177 0.0524 820 HOH C O 9430 O O . HOH MA . ? 0.5806 0.5946 0.5908 -0.0013 0.0007 0.0143 821 HOH C O 9431 O O . HOH MA . ? 0.4551 0.4383 0.4697 -0.0008 0.0089 0.0171 822 HOH C O 9432 O O . HOH MA . ? 0.3505 0.3619 0.3708 -0.0068 -0.0029 0.0181 823 HOH C O 9433 O O . HOH MA . ? 0.5074 0.4657 0.5423 0.0194 0.0406 0.0362 824 HOH C O 9434 O O . HOH MA . ? 0.3536 0.3596 0.3799 -0.0061 0.0020 0.0210 825 HOH C O 9435 O O . HOH MA . ? 0.3446 0.2983 0.3750 0.0076 0.0293 0.0309 826 HOH C O 9436 O O . HOH MA . ? 0.6195 0.6000 0.6785 0.0081 0.0280 0.0433 827 HOH C O 9437 O O . HOH MA . ? 0.2635 0.2662 0.2851 -0.0036 0.0034 0.0177 828 HOH C O 9438 O O . HOH MA . ? 0.3179 0.3310 0.3711 -0.0160 -0.0041 0.0381 829 HOH C O 9439 O O . HOH MA . ? 0.2956 0.2985 0.3174 -0.0004 0.0053 0.0162 830 HOH C O 9440 O O . HOH MA . ? 0.2808 0.3014 0.2901 0.0014 0.0064 0.0151 831 HOH C O 9441 O O . HOH MA . ? 0.4831 0.4843 0.4683 0.0048 0.0067 0.0070 832 HOH C O 9442 O O . HOH MA . ? 0.5095 0.5126 0.5374 0.0025 0.0070 0.0188 833 HOH C O 9443 O O . HOH MA . ? 0.3830 0.4030 0.4266 -0.0102 0.0005 0.0325 834 HOH C O 9444 O O . HOH MA . ? 0.2810 0.3104 0.3022 -0.0006 0.0062 0.0206 835 HOH C O 9445 O O . HOH MA . ? 0.4039 0.4259 0.4227 0.0002 0.0047 0.0157 836 HOH C O 9446 O O . HOH MA . ? 0.6006 0.5300 0.6315 0.0102 0.0379 0.0344 837 HOH C O 9447 O O . HOH MA . ? 0.3387 0.3458 0.3621 -0.0138 -0.0092 0.0244 838 HOH C O 9448 O O . HOH MA . ? 0.2787 0.2813 0.2997 -0.0022 0.0042 0.0167 839 HOH C O 9449 O O . HOH MA . ? 0.2470 0.2280 0.2572 -0.0161 -0.0101 0.0209 840 HOH C O 9450 O O . HOH MA . ? 0.2642 0.2858 0.2759 -0.0045 0.0010 0.0202 841 HOH C O 9451 O O . HOH MA . ? 0.2429 0.2499 0.2660 -0.0095 -0.0032 0.0212 842 HOH C O 9452 O O . HOH MA . ? 0.5395 0.5483 0.5353 -0.0041 -0.0021 0.0152 843 HOH C O 9453 O O . HOH MA . ? 0.2903 0.2426 0.2842 -0.0055 0.0062 0.0144 844 HOH C O 9454 O O . HOH MA . ? 0.2914 0.3282 0.3120 -0.0001 0.0091 0.0263 845 HOH C O 9455 O O . HOH MA . ? 0.6542 0.6798 0.6799 -0.0027 0.0029 0.0199 846 HOH C O 9456 O O . HOH MA . ? 0.4826 0.4709 0.5062 0.0053 0.0141 0.0203 847 HOH C O 9457 O O . HOH MA . ? 0.2741 0.2989 0.3037 -0.0070 0.0007 0.0247 848 HOH C O 9458 O O . HOH MA . ? 0.2104 0.2250 0.2416 -0.0139 -0.0082 0.0280 849 HOH C O 9459 O O . HOH MA . ? 0.2982 0.2873 0.3295 -0.0016 0.0109 0.0251 850 HOH C O 9460 O O . HOH MA . ? 0.3724 0.3684 0.4043 0.0021 0.0111 0.0237 851 HOH C O 9461 O O . HOH MA . ? 0.4014 0.4311 0.4471 -0.0131 -0.0025 0.0357 852 HOH C O 9462 O O . HOH MA . ? 0.2470 0.2386 0.2612 -0.0035 0.0040 0.0158 853 HOH C O 9463 O O . HOH MA . ? 0.4567 0.4012 0.4460 -0.0037 0.0092 0.0135 854 HOH C O 9464 O O . HOH MA . ? 0.2597 0.2551 0.3114 -0.0120 0.0030 0.0366 855 HOH C O 9465 O O . HOH MA . ? 0.4953 0.4963 0.4816 0.0013 0.0021 0.0086 856 HOH C O 9466 O O . HOH MA . ? 0.1999 0.1929 0.2331 -0.0063 0.0060 0.0263 857 HOH C O 9467 O O . HOH MA . ? 0.5298 0.5018 0.5488 0.0029 0.0168 0.0216 858 HOH C O 9468 O O . HOH MA . ? 0.3025 0.3262 0.3374 -0.0089 -0.0001 0.0280 859 HOH C O 9469 O O . HOH MA . ? 0.4251 0.4100 0.4707 0.0019 0.0184 0.0341 860 HOH C O 9470 O O . HOH MA . ? 0.4081 0.3810 0.4100 -0.0080 0.0004 0.0151 861 HOH C O 9471 O O . HOH MA . ? 0.2467 0.2437 0.2669 -0.0030 0.0049 0.0177 862 HOH C O 9472 O O . HOH MA . ? 0.4649 0.5034 0.4956 -0.0018 0.0062 0.0281 863 HOH C O 9473 O O . HOH MA . ? 0.3349 0.2960 0.3518 -0.0080 0.0060 0.0228 864 HOH C O 9474 O O . HOH MA . ? 0.2152 0.2171 0.2346 -0.0077 -0.0011 0.0187 865 HOH C O 9475 O O . HOH MA . ? 0.2087 0.2026 0.2258 -0.0080 -0.0004 0.0186 866 HOH C O 9476 O O . HOH MA . ? 0.5063 0.4438 0.4865 -0.0078 0.0036 0.0118 867 HOH C O 9477 O O . HOH MA . ? 0.5134 0.5302 0.5484 -0.0184 -0.0150 0.0336 868 HOH C O 9478 O O . HOH MA . ? 0.1723 0.1776 0.1961 -0.0054 0.0020 0.0194 869 HOH C O 9479 O O . HOH MA . ? 0.3943 0.4215 0.4321 -0.0114 -0.0038 0.0307 870 HOH C O 9480 O O . HOH MA . ? 0.3667 0.3512 0.4002 -0.0047 0.0094 0.0273 871 HOH C O 9481 O O . HOH MA . ? 0.2191 0.2156 0.2380 -0.0044 0.0034 0.0176 872 HOH C O 9482 O O . HOH MA . ? 0.5080 0.4897 0.5718 0.0129 0.0321 0.0474 873 HOH C O 9483 O O . HOH MA . ? 0.4062 0.4118 0.4244 -0.0024 0.0025 0.0146 874 HOH C O 9484 O O . HOH MA . ? 0.6169 0.5877 0.6751 0.0002 0.0231 0.0419 875 HOH C O 9485 O O . HOH MA . ? 0.2763 0.2730 0.2863 -0.0049 -0.0004 0.0137 876 HOH C O 9486 O O . HOH MA . ? 0.3842 0.3271 0.4172 0.0042 0.0282 0.0327 877 HOH C O 9487 O O . HOH MA . ? 0.3489 0.3072 0.3414 -0.0066 0.0032 0.0132 878 HOH C O 9488 O O . HOH MA . ? 0.2876 0.3181 0.3374 -0.0139 -0.0022 0.0389 879 HOH C O 9489 O O . HOH MA . ? 0.2737 0.2800 0.3057 -0.0013 0.0055 0.0226 880 HOH C O 9490 O O . HOH MA . ? 0.2931 0.3228 0.3112 0.0005 0.0076 0.0206 881 HOH C O 9491 O O . HOH MA . ? 0.3817 0.3888 0.4016 -0.0016 0.0032 0.0148 882 HOH C O 9492 O O . HOH MA . ? 0.2883 0.3061 0.3230 -0.0144 -0.0083 0.0301 883 HOH C O 9493 O O . HOH MA . ? 0.3539 0.3712 0.3764 -0.0019 0.0027 0.0162 884 HOH C O 9494 O O . HOH MA . ? 0.2056 0.2421 0.2350 -0.0044 0.0039 0.0279 885 HOH C O 9495 O O . HOH MA . ? 0.3704 0.3701 0.4065 -0.0006 0.0092 0.0262 886 HOH C O 9496 O O . HOH MA . ? 0.4127 0.3945 0.4263 0.0022 0.0117 0.0166 887 HOH C O 9497 O O . HOH MA . ? 0.3379 0.3585 0.3609 -0.0027 0.0027 0.0180 888 HOH C O 9498 O O . HOH MA . ? 0.5034 0.5119 0.5005 0.0013 0.0030 0.0106 889 HOH C O 9499 O O . HOH MA . ? 0.2286 0.2538 0.2691 -0.0148 -0.0085 0.0338 890 HOH C O 9500 O O . HOH MA . ? 0.3566 0.3601 0.3903 0.0000 0.0073 0.0238 891 HOH C O 9501 O O . HOH MA . ? 0.3791 0.4133 0.4049 -0.0018 0.0058 0.0247 892 HOH C O 9502 O O . HOH MA . ? 0.2453 0.2093 0.2514 -0.0098 0.0008 0.0184 893 HOH C O 9503 O O . HOH MA . ? 0.4832 0.4050 0.5091 0.0199 0.0505 0.0360 894 HOH C O 9504 O O . HOH MA . ? 0.5155 0.5548 0.5449 -0.0042 0.0047 0.0298 895 HOH C O 9505 O O . HOH MA . ? 0.2549 0.2588 0.2735 -0.0054 0.0006 0.0168 896 HOH C O 9506 O O . HOH MA . ? 0.3496 0.3397 0.3584 -0.0029 0.0033 0.0134 897 HOH C O 9507 O O . HOH MA . ? 0.2701 0.2612 0.3166 -0.0106 0.0042 0.0340 898 HOH C O 9508 O O . HOH MA . ? 0.3354 0.3562 0.3591 -0.0035 0.0023 0.0191 899 HOH C O 9509 O O . HOH MA . ? 0.4213 0.4559 0.4555 -0.0053 0.0014 0.0281 900 HOH C O 9510 O O . HOH MA . ? 0.2505 0.2286 0.2554 -0.0053 0.0030 0.0147 901 HOH C O 9511 O O . HOH MA . ? 0.3267 0.3034 0.3528 -0.0035 0.0106 0.0245 902 HOH C O 9512 O O . HOH MA . ? 0.3111 0.3452 0.3439 -0.0084 0.0005 0.0299 903 HOH C O 9513 O O . HOH MA . ? 0.2632 0.2482 0.2801 -0.0105 -0.0017 0.0206 904 HOH C O 9514 O O . HOH MA . ? 0.4752 0.4063 0.4524 -0.0012 0.0130 0.0111 905 HOH C O 9515 O O . HOH MA . ? 0.3101 0.3008 0.3346 -0.0154 -0.0076 0.0256 906 HOH C O 9516 O O . HOH MA . ? 0.5687 0.5817 0.6175 -0.0071 0.0040 0.0348 907 HOH C O 9517 O O . HOH MA . ? 0.3630 0.3709 0.3917 -0.0199 -0.0171 0.0314 908 HOH C O 9518 O O . HOH MA . ? 0.3815 0.3827 0.4007 -0.0008 0.0050 0.0153 909 HOH C O 9519 O O . HOH MA . ? 0.3962 0.4140 0.3966 0.0053 0.0112 0.0135 910 HOH C O 9520 O O . HOH MA . ? 0.4671 0.4123 0.4716 -0.0052 0.0101 0.0194 911 HOH C O 9521 O O . HOH MA . ? 0.5004 0.5073 0.5599 -0.0116 0.0038 0.0404 912 HOH C O 9522 O O . HOH MA . ? 0.3342 0.3069 0.3385 -0.0106 -0.0023 0.0169 913 HOH C O 9523 O O . HOH MA . ? 0.1787 0.1653 0.2091 -0.0061 0.0067 0.0256 914 HOH C O 9524 O O . HOH MA . ? 0.3747 0.3801 0.3933 -0.0043 0.0012 0.0160 915 HOH C O 9525 O O . HOH MA . ? 0.4369 0.4175 0.4877 -0.0071 0.0111 0.0367 916 HOH C O 9526 O O . HOH MA . ? 0.6329 0.6790 0.6649 -0.0008 0.0093 0.0340 917 HOH C O 9527 O O . HOH MA . ? 0.3050 0.3326 0.3366 -0.0071 -0.0010 0.0256 918 HOH C O 9528 O O . HOH MA . ? 0.2230 0.2304 0.2558 -0.0139 -0.0061 0.0281 919 HOH C O 9529 O O . HOH MA . ? 0.4573 0.4642 0.4898 0.0011 0.0048 0.0216 920 HOH C O 9530 O O . HOH MA . ? 0.3294 0.3489 0.3438 -0.0010 0.0032 0.0159 921 HOH C O 9531 O O . HOH MA . ? 0.3734 0.3952 0.4186 -0.0126 -0.0020 0.0338 922 HOH C O 9532 O O . HOH MA . ? 0.4298 0.4553 0.4709 -0.0131 -0.0047 0.0326 923 HOH C O 9533 O O . HOH MA . ? 0.3290 0.3176 0.3469 -0.0052 0.0041 0.0187 924 HOH C O 9534 O O . HOH MA . ? 0.3921 0.3363 0.3799 -0.0014 0.0119 0.0129 925 HOH C O 9535 O O . HOH MA . ? 0.3777 0.4026 0.4078 -0.0071 -0.0015 0.0242 926 HOH C O 9536 O O . HOH MA . ? 0.3993 0.4361 0.4419 -0.0109 -0.0043 0.0354 927 HOH C O 9537 O O . HOH MA . ? 0.3305 0.3493 0.3527 -0.0021 0.0027 0.0170 928 HOH C O 9538 O O . HOH MA . ? 0.8090 0.7940 0.8096 -0.0133 -0.0097 0.0163 929 HOH C O 9539 O O . HOH MA . ? 0.3352 0.3412 0.3834 -0.0050 0.0073 0.0339 930 HOH C O 9540 O O . HOH MA . ? 0.4786 0.4673 0.5094 0.0060 0.0161 0.0245 931 HOH C O 9541 O O . HOH MA . ? 0.2995 0.3240 0.3430 -0.0141 -0.0052 0.0340 932 HOH C O 9542 O O . HOH MA . ? 0.5524 0.5859 0.5934 -0.0116 -0.0023 0.0338 933 HOH C O 9543 O O . HOH MA . ? 0.3782 0.3796 0.4111 0.0015 0.0085 0.0232 934 HOH C O 9544 O O . HOH MA . ? 0.4006 0.4197 0.4400 -0.0141 -0.0061 0.0317 935 HOH C O 9545 O O . HOH MA . ? 0.4425 0.4455 0.4805 -0.0165 -0.0078 0.0316 936 HOH C O 9546 O O . HOH MA . ? 0.4865 0.5229 0.5152 -0.0078 0.0015 0.0304 937 HOH C O 9547 O O . HOH MA . ? 0.4544 0.4718 0.4921 -0.0074 0.0012 0.0286 938 HOH C O 9548 O O . HOH MA . ? 0.4725 0.4110 0.4840 0.0177 0.0403 0.0270 939 HOH C O 9549 O O . HOH MA . ? 0.6569 0.6456 0.6697 -0.0190 -0.0154 0.0238 940 HOH C O 9550 O O . HOH MA . ? 0.3954 0.4080 0.4161 -0.0049 -0.0008 0.0168 941 HOH C O 9551 O O . HOH MA . ? 0.3316 0.3251 0.3496 0.0010 0.0080 0.0160 942 HOH C O 9552 O O . HOH MA . ? 0.4642 0.4674 0.4875 0.0014 0.0062 0.0162 943 HOH C O 9553 O O . HOH MA . ? 0.2888 0.2649 0.3195 -0.0023 0.0131 0.0269 944 HOH C O 9554 O O . HOH MA . ? 0.1973 0.1905 0.2409 -0.0116 0.0020 0.0326 945 HOH C O 9555 O O . HOH MA . ? 0.4532 0.4363 0.4754 -0.0130 -0.0034 0.0240 946 HOH C O 9556 O O . HOH MA . ? 0.4352 0.4546 0.4465 0.0003 0.0045 0.0149 947 HOH C O 9557 O O . HOH MA . ? 0.4337 0.4057 0.4660 -0.0002 0.0167 0.0283 948 HOH C O 9558 O O . HOH MA . ? 0.2754 0.3073 0.3093 -0.0065 -0.0002 0.0275 949 HOH C O 9559 O O . HOH MA . ? 0.6924 0.6972 0.6772 -0.0035 -0.0009 0.0139 950 HOH C O 9560 O O . HOH MA . ? 0.3557 0.3412 0.3694 0.0014 0.0099 0.0158 951 HOH C O 9561 O O . HOH MA . ? 0.3393 0.3509 0.3606 -0.0092 -0.0054 0.0204 952 HOH C O 9562 O O . HOH MA . ? 0.2738 0.2612 0.2827 -0.0007 0.0061 0.0134 953 HOH C O 9563 O O . HOH MA . ? 0.7002 0.5765 0.6839 0.0199 0.0526 0.0230 954 HOH C O 9564 O O . HOH MA . ? 0.4842 0.4650 0.5119 0.0061 0.0187 0.0247 955 HOH C O 9565 O O . HOH MA . ? 0.4625 0.4104 0.4493 -0.0084 0.0019 0.0129 956 HOH C O 9566 O O . HOH MA . ? 0.5348 0.4954 0.4323 0.0090 0.0199 0.0047 957 HOH C O 9567 O O . HOH MA . ? 0.4850 0.5059 0.5157 -0.0113 -0.0071 0.0270 958 HOH C O 9568 O O . HOH MA . ? 0.6904 0.6216 0.7155 0.0270 0.0556 0.0378 959 HOH C O 9569 O O . HOH MA . ? 0.5495 0.5250 0.5661 -0.0146 -0.0055 0.0230 960 HOH C O 9570 O O . HOH MA . ? 0.4774 0.5078 0.4952 0.0046 0.0120 0.0199 961 HOH C O 9571 O O . HOH MA . ? 0.3030 0.2712 0.3383 -0.0091 0.0071 0.0304 962 HOH C O 9572 O O . HOH MA . ? 0.5073 0.5125 0.5342 0.0024 0.0058 0.0174 963 HOH C O 9573 O O . HOH MA . ? 0.5898 0.5558 0.5783 -0.0054 0.0019 0.0107 964 HOH C O 9574 O O . HOH MA . ? 0.2608 0.2715 0.2919 -0.0146 -0.0083 0.0280 965 HOH C O 9575 O O . HOH MA . ? 0.5630 0.5041 0.6052 0.0257 0.0547 0.0444 966 HOH C O 9576 O O . HOH MA . ? 0.5292 0.5634 0.5605 -0.0030 0.0038 0.0258 967 HOH C O 9577 O O . HOH MA . ? 0.4421 0.4568 0.4812 -0.0062 0.0021 0.0289 968 HOH C O 9578 O O . HOH MA . ? 0.2571 0.2921 0.2987 -0.0106 -0.0050 0.0344 969 HOH C O 9579 O O . HOH MA . ? 0.3999 0.4256 0.4474 -0.0138 -0.0032 0.0359 970 HOH C O 9580 O O . HOH MA . ? 0.4215 0.3602 0.4374 -0.0046 0.0142 0.0249 971 HOH C O 9581 O O . HOH MA . ? 0.5836 0.5635 0.6060 -0.0137 -0.0037 0.0246 972 HOH C O 9582 O O . HOH MA . ? 0.4991 0.4405 0.5062 -0.0022 0.0153 0.0209 973 HOH C O 9583 O O . HOH MA . ? 0.3106 0.3311 0.3292 -0.0005 0.0038 0.0156 974 HOH C O 9584 O O . HOH MA . ? 0.3356 0.3474 0.3574 -0.0009 0.0033 0.0148 975 HOH C O 9585 O O . HOH MA . ? 0.4976 0.5212 0.5532 -0.0125 -0.0001 0.0408 976 HOH C O 9586 O O . HOH MA . ? 0.5478 0.4816 0.5762 0.0252 0.0535 0.0382 977 HOH C O 9587 O O . HOH MA . ? 0.6748 0.5730 0.6736 0.0025 0.0275 0.0228 978 HOH C O 9588 O O . HOH MA . ? 0.5059 0.4954 0.5160 -0.0147 -0.0101 0.0200 979 HOH C O 9589 O O . HOH MA . ? 0.5290 0.5422 0.5560 -0.0165 -0.0143 0.0290 980 HOH C O 9590 O O . HOH MA . ? 0.6707 0.6505 0.6726 -0.0116 -0.0059 0.0159 981 HOH C O 9591 O O . HOH MA . ? 0.4723 0.4711 0.4449 0.0075 0.0127 0.0076 982 HOH C O 9592 O O . HOH MA . ? 0.3969 0.4358 0.4362 -0.0071 0.0000 0.0328 983 HOH C O 9593 O O . HOH MA . ? 0.3848 0.3837 0.4189 0.0024 0.0103 0.0243 984 HOH C O 9594 O O . HOH MA . ? 0.4432 0.4376 0.4595 -0.0004 0.0063 0.0152 985 HOH C O 9595 O O . HOH MA . ? 0.2939 0.3212 0.3412 -0.0142 -0.0040 0.0361 986 HOH C O 9596 O O . HOH MA . ? 0.4387 0.3610 0.4527 0.0268 0.0558 0.0336 987 HOH C O 9597 O O . HOH MA . ? 0.5363 0.4727 0.5801 0.0273 0.0583 0.0462 988 HOH C O 9598 O O . HOH MA . ? 0.4097 0.3537 0.3935 -0.0038 0.0081 0.0117 989 HOH C O 9599 O O . HOH MA . ? 0.4587 0.3942 0.4676 -0.0044 0.0137 0.0224 990 HOH C O 9600 O O . HOH MA . ? 0.2940 0.2664 0.2937 -0.0069 0.0012 0.0140 991 HOH C O 9601 O O . HOH MA . ? 0.6594 0.6974 0.7045 -0.0119 -0.0056 0.0374 992 HOH C O 9602 O O . HOH MA . ? 0.5731 0.5524 0.6216 -0.0114 0.0051 0.0359 993 HOH C O 9603 O O . HOH MA . ? 0.3856 0.4177 0.4098 -0.0008 0.0063 0.0226 994 HOH C O 9604 O O . HOH MA . ? 0.4004 0.4132 0.4644 -0.0124 0.0033 0.0432 995 HOH C O 9605 O O . HOH MA . ? 0.6106 0.5810 0.6015 -0.0077 -0.0014 0.0116 996 HOH C O 9606 O O . HOH MA . ? 0.5208 0.5602 0.5630 -0.0094 -0.0023 0.0353 997 HOH C O 9607 O O . HOH MA . ? 0.5232 0.5065 0.5475 -0.0157 -0.0067 0.0260 998 HOH C O 9608 O O . HOH MA . ? 0.5391 0.4797 0.5862 0.0183 0.0482 0.0436 999 HOH C O 9609 O O . HOH MA . ? 0.2683 0.2911 0.3119 -0.0153 -0.0072 0.0346 1000 HOH C O 9610 O O . HOH MA . ? 0.4119 0.3627 0.4012 -0.0057 0.0053 0.0129 1001 HOH C O 9611 O O . HOH MA . ? 0.5026 0.4516 0.5242 -0.0073 0.0098 0.0262 1002 HOH C O 9612 O O . HOH MA . ? 0.3479 0.3735 0.3826 -0.0114 -0.0068 0.0296 1003 HOH C O 9613 O O . HOH MA . ? 0.5333 0.5709 0.5538 0.0013 0.0108 0.0267 1004 HOH C O 9614 O O . HOH MA . ? 0.3316 0.3505 0.3541 -0.0014 0.0030 0.0159 1005 HOH C O 9615 O O . HOH MA . ? 0.3801 0.4169 0.4238 -0.0118 -0.0049 0.0363 1006 HOH C O 9616 O O . HOH MA . ? 0.4428 0.4623 0.4480 0.0050 0.0104 0.0136 1007 HOH C O 9617 O O . HOH MA . ? 0.5593 0.5825 0.6020 -0.0107 -0.0013 0.0342 1008 HOH C O 9618 O O . HOH MA . ? 0.3460 0.3812 0.3836 -0.0075 -0.0011 0.0308 1009 HOH C O 9619 O O . HOH MA . ? 0.5314 0.5679 0.5720 -0.0088 -0.0027 0.0333 1010 HOH C O 9620 O O . HOH MA . ? 0.5081 0.4933 0.5209 -0.0180 -0.0132 0.0230 1011 HOH C O 9621 O O . HOH MA . ? 0.4310 0.4185 0.4521 -0.0165 -0.0094 0.0250 1012 HOH C O 9622 O O . HOH MA . ? 0.4306 0.4266 0.4765 -0.0132 0.0000 0.0340 1013 HOH C O 9623 O O . HOH MA . ? 0.3583 0.3505 0.3714 -0.0005 0.0060 0.0141 1014 HOH C O 9624 O O . HOH MA . ? 0.2517 0.2802 0.2980 -0.0143 -0.0050 0.0360 1015 HOH C O 9625 O O . HOH MA . ? 0.3515 0.3074 0.3764 -0.0103 0.0053 0.0272 1016 HOH C O 9626 O O . HOH MA . ? 0.5046 0.5361 0.5550 -0.0156 -0.0060 0.0388 1017 HOH C O 9627 O O . HOH MA . ? 0.4028 0.4348 0.4484 -0.0133 -0.0032 0.0360 1018 HOH C O 9628 O O . HOH MA . ? 0.6402 0.6172 0.6409 -0.0138 -0.0083 0.0167 1019 HOH C O 9629 O O . HOH MA . ? 0.2859 0.3184 0.3312 -0.0135 -0.0042 0.0361 1020 HOH C O 9630 O O . HOH MA . ? 0.6823 0.7059 0.7203 -0.0171 -0.0146 0.0355 1021 HOH C O 9631 O O . HOH MA . ? 0.5842 0.6041 0.6214 -0.0201 -0.0184 0.0370 1022 HOH C O 9632 O O . HOH MA . ? 0.7189 0.7420 0.7581 -0.0104 -0.0019 0.0328 1023 HOH C O 9633 O O . HOH NA . ? 0.3284 0.3530 0.3378 -0.0054 0.0015 0.0226 801 HOH D O 9634 O O . HOH NA . ? 0.6035 0.6233 0.5819 0.0023 0.0136 0.0222 802 HOH D O 9635 O O . HOH NA . ? 0.6782 0.7144 0.6644 0.0213 0.0427 0.0378 803 HOH D O 9636 O O . HOH NA . ? 0.5285 0.5597 0.5373 -0.0049 0.0043 0.0264 804 HOH D O 9637 O O . HOH NA . ? 0.4315 0.4494 0.4492 -0.0065 -0.0026 0.0219 805 HOH D O 9638 O O . HOH NA . ? 0.2307 0.2495 0.2414 -0.0035 0.0009 0.0182 806 HOH D O 9639 O O . HOH NA . ? 0.5104 0.4959 0.4488 -0.0001 0.0066 0.0108 807 HOH D O 9640 O O . HOH NA . ? 0.4712 0.4600 0.4189 0.0088 0.0172 0.0078 808 HOH D O 9641 O O . HOH NA . ? 0.5123 0.5348 0.5132 -0.0043 0.0029 0.0216 809 HOH D O 9642 O O . HOH NA . ? 0.5194 0.5253 0.5036 -0.0104 -0.0077 0.0203 810 HOH D O 9643 O O . HOH NA . ? 0.4211 0.4371 0.4131 -0.0065 -0.0006 0.0209 811 HOH D O 9644 O O . HOH NA . ? 0.8780 0.8316 0.7879 0.0548 0.0843 0.0108 812 HOH D O 9645 O O . HOH NA . ? 0.5545 0.5605 0.5452 -0.0055 -0.0039 0.0156 813 HOH D O 9646 O O . HOH NA . ? 0.7737 0.7805 0.7411 0.0385 0.0627 0.0259 814 HOH D O 9647 O O . HOH NA . ? 0.5721 0.5030 0.4391 0.0339 0.0540 -0.0026 815 HOH D O 9648 O O . HOH NA . ? 0.4941 0.5107 0.5265 -0.0069 -0.0021 0.0272 816 HOH D O 9649 O O . HOH NA . ? 0.6481 0.6892 0.6550 0.0123 0.0279 0.0335 817 HOH D O 9650 O O . HOH NA . ? 0.6694 0.6815 0.6873 -0.0078 -0.0070 0.0230 818 HOH D O 9651 O O . HOH NA . ? 0.6110 0.6133 0.5567 0.0462 0.0773 0.0330 819 HOH D O 9652 O O . HOH NA . ? 0.7544 0.7541 0.6994 0.0496 0.0820 0.0333 820 HOH D O 9653 O O . HOH NA . ? 0.6307 0.6324 0.5763 0.0536 0.0887 0.0377 821 HOH D 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 GLU 1 3 3 GLU GLU A . n A 1 2 LEU 2 4 4 LEU LEU A . n A 1 3 ILE 3 5 5 ILE ILE A . n A 1 4 CYS 4 6 6 CYS CYS A . n A 1 5 ILE 5 7 7 ILE ILE A . n A 1 6 VAL 6 8 8 VAL VAL A . n A 1 7 GLN 7 9 9 GLN GLN A . n A 1 8 ARG 8 10 10 ARG ARG A . n A 1 9 VAL 9 11 11 VAL VAL A . n A 1 10 ASN 10 12 12 ASN ASN A . n A 1 11 GLU 11 13 13 GLU GLU A . n A 1 12 SER 12 14 14 SER SER A . n A 1 13 PHE 13 15 15 PHE PHE A . n A 1 14 SER 14 16 16 SER SER A . n A 1 15 LEU 15 17 17 LEU LEU A . n A 1 16 HIS 16 18 18 HIS HIS A . n A 1 17 SER 17 19 19 SER SER A . n A 1 18 GLY 18 20 20 GLY GLY A . n A 1 19 PHE 19 21 21 PHE PHE A . n A 1 20 GLY 20 22 22 GLY GLY A . n A 1 21 GLY 21 23 23 GLY GLY A . n A 1 22 ASN 22 24 24 ASN ASN A . n A 1 23 VAL 23 25 25 VAL VAL A . n A 1 24 TYR 24 26 26 TYR TYR A . n A 1 25 SER 25 27 27 SER SER A . n A 1 26 MET 26 28 28 MET MET A . n A 1 27 LYS 27 29 29 LYS LYS A . n A 1 28 THR 28 30 30 THR THR A . n A 1 29 GLU 29 31 31 GLU GLU A . n A 1 30 PRO 30 32 32 PRO PRO A . n A 1 31 MET 31 33 33 MET MET A . n A 1 32 THR 32 34 34 THR THR A . n A 1 33 GLY 33 35 35 GLY GLY A . n A 1 34 PHE 34 36 36 PHE PHE A . n A 1 35 THR 35 37 37 THR THR A . n A 1 36 ASN 36 38 38 ASN ASN A . n A 1 37 VAL 37 39 39 VAL VAL A . n A 1 38 THR 38 40 40 THR THR A . n A 1 39 LYS 39 41 41 LYS LYS A . n A 1 40 GLY 40 42 42 GLY GLY A . n A 1 41 ALA 41 43 43 ALA ALA A . n A 1 42 SER 42 44 44 SER SER A . n A 1 43 VAL 43 45 45 VAL VAL A . n A 1 44 ILE 44 46 46 ILE ILE A . n A 1 45 ASN 45 47 47 ASN ASN A . n A 1 46 GLN 46 48 48 GLN GLN A . n A 1 47 LYS 47 49 49 LYS LYS A . n A 1 48 ASP 48 50 50 ASP ASP A . n A 1 49 TRP 49 51 51 TRP TRP A . n A 1 50 ILE 50 52 52 ILE ILE A . n A 1 51 GLY 51 53 53 GLY GLY A . n A 1 52 PHE 52 54 54 PHE PHE A . n A 1 53 GLY 53 55 55 GLY GLY A . n A 1 54 ASP 54 56 56 ASP ASP A . n A 1 55 SER 55 57 57 SER SER A . n A 1 56 ARG 56 58 58 ARG ARG A . n A 1 57 THR 57 59 59 THR THR A . n A 1 58 ASP 58 60 60 ASP ASP A . n A 1 59 LEU 59 61 61 LEU LEU A . n A 1 60 THR 60 62 62 THR THR A . n A 1 61 ASN 61 63 63 ASN ASN A . n A 1 62 ASP 62 64 64 ASP ASP A . n A 1 63 GLN 63 65 65 GLN GLN A . n A 1 64 PHE 64 66 66 PHE PHE A . n A 1 65 PRO 65 67 67 PRO PRO A . n A 1 66 ALA 66 68 68 ALA ALA A . n A 1 67 SER 67 69 69 SER SER A . n A 1 68 SER 68 70 70 SER SER A . n A 1 69 ASP 69 71 71 ASP ASP A . n A 1 70 VAL 70 72 72 VAL VAL A . n A 1 71 PRO 71 73 73 PRO PRO A . n A 1 72 LEU 72 74 74 LEU LEU A . n A 1 73 ALA 73 75 75 ALA ALA A . n A 1 74 VAL 74 76 76 VAL VAL A . n A 1 75 ALA 75 77 77 ALA ALA A . n A 1 76 LYS 76 78 78 LYS LYS A . n A 1 77 LYS 77 79 79 LYS LYS A . n A 1 78 PHE 78 80 80 PHE PHE A . n A 1 79 ARG 79 81 81 ARG ARG A . n A 1 80 SER 80 82 82 SER SER A . n A 1 81 LEU 81 83 83 LEU LEU A . n A 1 82 SER 82 84 84 SER SER A . n A 1 83 GLY 83 85 85 GLY GLY A . n A 1 84 ALA 84 86 86 ALA ALA A . n A 1 85 SER 85 87 87 SER SER A . n A 1 86 LEU 86 88 88 LEU LEU A . n A 1 87 MET 87 89 89 MET MET A . n A 1 88 LEU 88 90 90 LEU LEU A . n A 1 89 SER 89 91 91 SER SER A . n A 1 90 ALA 90 92 92 ALA ALA A . n A 1 91 PHE 91 93 93 PHE PHE A . n A 1 92 GLY 92 94 94 GLY GLY A . n A 1 93 PRO 93 95 95 PRO PRO A . n A 1 94 PRO 94 96 96 PRO PRO A . n A 1 95 GLY 95 97 97 GLY GLY A . n A 1 96 LYS 96 98 98 LYS LYS A . n A 1 97 VAL 97 99 99 VAL VAL A . n A 1 98 ASP 98 100 100 ASP ASP A . n A 1 99 TYR 99 101 101 TYR TYR A . n A 1 100 LEU 100 102 102 LEU LEU A . n A 1 101 TYR 101 103 103 TYR TYR A . n A 1 102 GLN 102 104 104 GLN GLN A . n A 1 103 GLY 103 105 105 GLY GLY A . n A 1 104 CYS 104 106 106 CYS CYS A . n A 1 105 GLY 105 107 107 GLY GLY A . n A 1 106 LYS 106 108 108 LYS LYS A . n A 1 107 GLU 107 109 109 GLU GLU A . n A 1 108 LYS 108 110 110 LYS LYS A . n A 1 109 VAL 109 111 111 VAL VAL A . n A 1 110 PHE 110 112 112 PHE PHE A . n A 1 111 TYR 111 113 113 TYR TYR A . n A 1 112 GLU 112 114 114 GLU GLU A . n A 1 113 GLY 113 115 115 GLY GLY A . n A 1 114 VAL 114 116 116 VAL VAL A . n A 1 115 ASN 115 117 117 ASN ASN A . n A 1 116 TRP 116 118 118 TRP TRP A . n A 1 117 SER 117 119 119 SER SER A . n A 1 118 PRO 118 120 120 PRO PRO A . n A 1 119 GLU 119 121 121 GLU GLU A . n A 1 120 ALA 120 122 122 ALA ALA A . n A 1 121 GLY 121 123 123 GLY GLY A . n A 1 122 ILE 122 124 124 ILE ILE A . n A 1 123 ASP 123 125 125 ASP ASP A . n A 1 124 CYS 124 126 126 CYS CYS A . n A 1 125 PHE 125 127 127 PHE PHE A . n A 1 126 GLY 126 128 128 GLY GLY A . n A 1 127 SER 127 129 129 SER SER A . n A 1 128 ASN 128 130 130 ASN ASN A . n A 1 129 TRP 129 131 131 TRP TRP A . n A 1 130 THR 130 132 132 THR THR A . n A 1 131 GLN 131 133 133 GLN GLN A . n A 1 132 THR 132 134 134 THR THR A . n A 1 133 LYS 133 135 135 LYS LYS A . n A 1 134 LYS 134 136 136 LYS LYS A . n A 1 135 ASP 135 137 137 ASP ASP A . n A 1 136 PHE 136 138 138 PHE PHE A . n A 1 137 TYR 137 139 139 TYR TYR A . n A 1 138 SER 138 140 140 SER SER A . n A 1 139 ARG 139 141 141 ARG ARG A . n A 1 140 ILE 140 142 142 ILE ILE A . n A 1 141 TYR 141 143 143 TYR TYR A . n A 1 142 GLU 142 144 144 GLU GLU A . n A 1 143 ALA 143 145 145 ALA ALA A . n A 1 144 ALA 144 146 146 ALA ALA A . n A 1 145 ARG 145 147 147 ARG ARG A . n A 1 146 SER 146 148 148 SER SER A . n A 1 147 SER 147 149 149 SER SER A . n A 1 148 THR 148 150 150 THR THR A . n A 1 149 CYS 149 151 151 CYS CYS A . n A 1 150 MET 150 152 152 MET MET A . n A 1 151 THR 151 153 153 THR THR A . n A 1 152 LEU 152 154 154 LEU LEU A . n A 1 153 VAL 153 155 155 VAL VAL A . n A 1 154 ASN 154 156 156 ASN ASN A . n A 1 155 SER 155 157 157 SER SER A . n A 1 156 LEU 156 158 158 LEU LEU A . n A 1 157 ASP 157 159 159 ASP ASP A . n A 1 158 THR 158 160 160 THR THR A . n A 1 159 LYS 159 161 161 LYS LYS A . n A 1 160 ILE 160 162 162 ILE ILE A . n A 1 161 SER 161 163 163 SER SER A . n A 1 162 SER 162 164 164 SER SER A . n A 1 163 THR 163 165 165 THR THR A . n A 1 164 THR 164 166 166 THR THR A . n A 1 165 ALA 165 167 167 ALA ALA A . n A 1 166 THR 166 168 168 THR THR A . n A 1 167 ALA 167 169 169 ALA ALA A . n A 1 168 GLY 168 170 170 GLY GLY A . n A 1 169 THR 169 171 171 THR THR A . n A 1 170 ALA 170 172 172 ALA ALA A . n A 1 171 SER 171 173 173 SER SER A . n A 1 172 SER 172 174 174 SER SER A . n A 1 173 CYS 173 175 175 CYS CYS A . n A 1 174 SER 174 176 176 SER SER A . n A 1 175 SER 175 177 177 SER SER A . n A 1 176 SER 176 178 178 SER SER A . n A 1 177 TRP 177 179 179 TRP TRP A . n A 1 178 MET 178 180 180 MET MET A . n A 1 179 LYS 179 181 181 LYS LYS A . n A 1 180 SER 180 182 182 SER SER A . n A 1 181 PRO 181 183 183 PRO PRO A . n A 1 182 LEU 182 184 184 LEU LEU A . n A 1 183 TRP 183 185 185 TRP TRP A . n A 1 184 TYR 184 186 186 TYR TYR A . n A 1 185 ALA 185 187 187 ALA ALA A . n A 1 186 GLU 186 188 188 GLU GLU A . n A 1 187 SER 187 189 189 SER SER A . n A 1 188 SER 188 190 190 SER SER A . n A 1 189 VAL 189 191 191 VAL VAL A . n A 1 190 ASN 190 192 192 ASN ASN A . n A 1 191 PRO 191 193 193 PRO PRO A . n A 1 192 GLY 192 194 ? ? ? A . n A 1 193 ALA 193 195 ? ? ? A . n A 1 194 LYS 194 196 ? ? ? A . n A 1 195 PRO 195 197 197 PRO PRO A . n A 1 196 GLN 196 198 198 GLN GLN A . n A 1 197 VAL 197 199 199 VAL VAL A . n A 1 198 CYS 198 200 200 CYS CYS A . n A 1 199 GLY 199 201 201 GLY GLY A . n A 1 200 THR 200 202 202 THR THR A . n A 1 201 GLU 201 203 203 GLU GLU A . n A 1 202 GLN 202 204 204 GLN GLN A . n A 1 203 SER 203 205 205 SER SER A . n A 1 204 ALA 204 206 206 ALA ALA A . n A 1 205 THR 205 207 207 THR THR A . n A 1 206 PHE 206 208 208 PHE PHE A . n A 1 207 THR 207 209 209 THR THR A . n A 1 208 LEU 208 210 210 LEU LEU A . n A 1 209 PRO 209 211 211 PRO PRO A . n A 1 210 THR 210 212 212 THR THR A . n A 1 211 SER 211 213 213 SER SER A . n A 1 212 PHE 212 214 214 PHE PHE A . n A 1 213 GLY 213 215 215 GLY GLY A . n A 1 214 ILE 214 216 216 ILE ILE A . n A 1 215 TYR 215 217 217 TYR TYR A . n A 1 216 LYS 216 218 218 LYS LYS A . n A 1 217 CYS 217 219 219 CYS CYS A . n A 1 218 ASN 218 220 220 ASN ASN A . n A 1 219 LYS 219 221 221 LYS LYS A . n A 1 220 HIS 220 222 222 HIS HIS A . n A 1 221 VAL 221 223 223 VAL VAL A . n A 1 222 VAL 222 224 224 VAL VAL A . n A 1 223 GLN 223 225 225 GLN GLN A . n A 1 224 LEU 224 226 226 LEU LEU A . n A 1 225 CYS 225 227 227 CYS CYS A . n A 1 226 TYR 226 228 228 TYR TYR A . n A 1 227 PHE 227 229 229 PHE PHE A . n A 1 228 VAL 228 230 230 VAL VAL A . n A 1 229 TYR 229 231 231 TYR TYR A . n A 1 230 GLU 230 232 232 GLU GLU A . n A 1 231 ASN 231 233 233 ASN ASN A . n A 1 232 LYS 232 234 234 LYS LYS A . n A 1 233 ALA 233 235 235 ALA ALA A . n A 1 234 LYS 234 236 236 LYS LYS A . n A 1 235 PHE 235 237 237 PHE PHE A . n A 1 236 ASN 236 238 238 ASN ASN A . n A 1 237 THR 237 239 239 THR THR A . n A 1 238 PHE 238 240 240 PHE PHE A . n A 1 239 GLY 239 241 241 GLY GLY A . n A 1 240 CYS 240 242 242 CYS CYS A . n A 1 241 GLY 241 243 243 GLY GLY A . n A 1 242 ASP 242 244 244 ASP ASP A . n A 1 243 TYR 243 245 245 TYR TYR A . n A 1 244 TYR 244 246 246 TYR TYR A . n A 1 245 GLN 245 247 247 GLN GLN A . n A 1 246 ASN 246 248 248 ASN ASN A . n A 1 247 TYR 247 249 249 TYR TYR A . n A 1 248 TYR 248 250 250 TYR TYR A . n A 1 249 ASP 249 251 251 ASP ASP A . n A 1 250 GLY 250 252 252 GLY GLY A . n A 1 251 ASN 251 253 253 ASN ASN A . n A 1 252 GLY 252 254 254 GLY GLY A . n A 1 253 ASN 253 255 255 ASN ASN A . n A 1 254 LEU 254 256 256 LEU LEU A . n A 1 255 ILE 255 257 257 ILE ILE A . n A 1 256 GLY 256 258 258 GLY GLY A . n A 1 257 GLY 257 259 259 GLY GLY A . n A 1 258 MET 258 260 260 MET MET A . n A 1 259 ASP 259 261 261 ASP ASP A . n A 1 260 ASN 260 262 262 ASN ASN A . n A 1 261 ARG 261 263 263 ARG ARG A . n A 1 262 VAL 262 264 264 VAL VAL A . n A 1 263 ALA 263 265 265 ALA ALA A . n A 1 264 ALA 264 266 266 ALA ALA A . n A 1 265 TYR 265 267 267 TYR TYR A . n A 1 266 ARG 266 268 268 ARG ARG A . n A 1 267 GLY 267 269 269 GLY GLY A . n A 1 268 ILE 268 270 270 ILE ILE A . n A 1 269 ALA 269 271 271 ALA ALA A . n A 1 270 ASN 270 272 272 ASN ASN A . n A 1 271 ALA 271 273 273 ALA ALA A . n A 1 272 GLY 272 274 274 GLY GLY A . n A 1 273 VAL 273 275 275 VAL VAL A . n A 1 274 LYS 274 276 276 LYS LYS A . n A 1 275 ILE 275 277 277 ILE ILE A . n A 1 276 GLU 276 278 278 GLU GLU A . n A 1 277 CYS 277 279 279 CYS CYS A . n A 1 278 PRO 278 280 280 PRO PRO A . n A 1 279 SER 279 281 281 SER SER A . n A 1 280 LYS 280 282 282 LYS LYS A . n A 1 281 ILE 281 283 283 ILE ILE A . n A 1 282 LEU 282 284 284 LEU LEU A . n A 1 283 ASN 283 285 285 ASN ASN A . n A 1 284 PRO 284 286 286 PRO PRO A . n A 1 285 GLY 285 287 287 GLY GLY A . n A 1 286 THR 286 288 288 THR THR A . n A 1 287 TYR 287 289 289 TYR TYR A . n A 1 288 SER 288 290 290 SER SER A . n A 1 289 ILE 289 291 291 ILE ILE A . n A 1 290 LYS 290 292 292 LYS LYS A . n A 1 291 SER 291 293 293 SER SER A . n A 1 292 THR 292 294 294 THR THR A . n A 1 293 PRO 293 295 295 PRO PRO A . n A 1 294 ARG 294 296 296 ARG ARG A . n A 1 295 PHE 295 297 297 PHE PHE A . n A 1 296 LEU 296 298 298 LEU LEU A . n A 1 297 LEU 297 299 299 LEU LEU A . n A 1 298 VAL 298 300 300 VAL VAL A . n A 1 299 PRO 299 301 301 PRO PRO A . n A 1 300 LYS 300 302 302 LYS LYS A . n A 1 301 ARG 301 303 303 ARG ARG A . n A 1 302 SER 302 304 304 SER SER A . n A 1 303 TYR 303 305 305 TYR TYR A . n A 1 304 CYS 304 306 306 CYS CYS A . n A 1 305 PHE 305 307 307 PHE PHE A . n A 1 306 ASP 306 308 308 ASP ASP A . n A 1 307 THR 307 309 309 THR THR A . n A 1 308 ASP 308 310 310 ASP ASP A . n A 1 309 GLY 309 311 311 GLY GLY A . n A 1 310 GLY 310 312 312 GLY GLY A . n A 1 311 TYR 311 313 313 TYR TYR A . n A 1 312 PRO 312 314 314 PRO PRO A . n A 1 313 ILE 313 315 315 ILE ILE A . n A 1 314 GLN 314 316 316 GLN GLN A . n A 1 315 VAL 315 317 317 VAL VAL A . n A 1 316 VAL 316 318 318 VAL VAL A . n A 1 317 GLN 317 319 319 GLN GLN A . n A 1 318 SER 318 320 320 SER SER A . n A 1 319 GLU 319 321 321 GLU GLU A . n A 1 320 TRP 320 322 322 TRP TRP A . n A 1 321 SER 321 323 323 SER SER A . n A 1 322 ALA 322 324 324 ALA ALA A . n A 1 323 SER 323 325 325 SER SER A . n A 1 324 ARG 324 326 326 ARG ARG A . n A 1 325 ARG 325 327 327 ARG ARG A . n A 1 326 SER 326 328 328 SER SER A . n A 1 327 ASP 327 329 329 ASP ASP A . n A 1 328 ASN 328 330 330 ASN ASN A . n A 1 329 ALA 329 331 331 ALA ALA A . n A 1 330 THR 330 332 332 THR THR A . n A 1 331 GLU 331 333 333 GLU GLU A . n A 1 332 GLU 332 334 334 GLU GLU A . n A 1 333 ALA 333 335 335 ALA ALA A . n A 1 334 CYS 334 336 336 CYS CYS A . n A 1 335 LEU 335 337 337 LEU LEU A . n A 1 336 GLN 336 338 338 GLN GLN A . n A 1 337 THR 337 339 339 THR THR A . n A 1 338 GLU 338 340 340 GLU GLU A . n A 1 339 GLY 339 341 341 GLY GLY A . n A 1 340 CYS 340 342 342 CYS CYS A . n A 1 341 ILE 341 343 343 ILE ILE A . n A 1 342 PHE 342 344 344 PHE PHE A . n A 1 343 ILE 343 345 345 ILE ILE A . n A 1 344 LYS 344 346 346 LYS LYS A . n A 1 345 LYS 345 347 347 LYS LYS A . n A 1 346 THR 346 348 348 THR THR A . n A 1 347 THR 347 349 349 THR THR A . n A 1 348 PRO 348 350 350 PRO PRO A . n A 1 349 TYR 349 351 351 TYR TYR A . n A 1 350 VAL 350 352 352 VAL VAL A . n A 1 351 GLY 351 353 353 GLY GLY A . n A 1 352 GLU 352 354 354 GLU GLU A . n A 1 353 ALA 353 355 355 ALA ALA A . n A 1 354 ASP 354 356 356 ASP ASP A . n A 1 355 ASP 355 357 357 ASP ASP A . n A 1 356 ASN 356 358 358 ASN ASN A . n A 1 357 HIS 357 359 359 HIS HIS A . n A 1 358 GLY 358 360 360 GLY GLY A . n A 1 359 ASP 359 361 361 ASP ASP A . n A 1 360 ILE 360 362 362 ILE ILE A . n A 1 361 GLU 361 363 363 GLU GLU A . n A 1 362 MET 362 364 364 MET MET A . n A 1 363 ARG 363 365 365 ARG ARG A . n A 1 364 GLN 364 366 366 GLN GLN A . n A 1 365 LEU 365 367 367 LEU LEU A . n A 1 366 LEU 366 368 368 LEU LEU A . n A 1 367 SER 367 369 369 SER SER A . n A 1 368 GLY 368 370 370 GLY GLY A . n A 1 369 LEU 369 371 371 LEU LEU A . n A 1 370 GLY 370 372 372 GLY GLY A . n A 1 371 ASN 371 373 373 ASN ASN A . n A 1 372 ASN 372 374 374 ASN ASN A . n A 1 373 ASP 373 375 375 ASP ASP A . n A 1 374 THR 374 376 376 THR THR A . n A 1 375 VAL 375 377 377 VAL VAL A . n A 1 376 CYS 376 378 378 CYS CYS A . n A 1 377 VAL 377 379 379 VAL VAL A . n A 1 378 SER 378 380 380 SER SER A . n A 1 379 GLN 379 381 381 GLN GLN A . n A 1 380 SER 380 382 382 SER SER A . n A 1 381 GLY 381 383 383 GLY GLY A . n A 1 382 TYR 382 384 384 TYR TYR A . n A 1 383 THR 383 385 385 THR THR A . n A 1 384 LYS 384 386 386 LYS LYS A . n A 1 385 GLY 385 387 387 GLY GLY A . n A 1 386 GLU 386 388 388 GLU GLU A . n A 1 387 THR 387 389 389 THR THR A . n A 1 388 PRO 388 390 390 PRO PRO A . n A 1 389 PHE 389 391 391 PHE PHE A . n A 1 390 VAL 390 392 392 VAL VAL A . n A 1 391 LYS 391 393 393 LYS LYS A . n A 1 392 ASP 392 394 394 ASP ASP A . n A 1 393 TYR 393 395 395 TYR TYR A . n A 1 394 LEU 394 396 396 LEU LEU A . n A 1 395 SER 395 397 397 SER SER A . n A 1 396 PRO 396 398 398 PRO PRO A . n A 1 397 PRO 397 399 399 PRO PRO A . n A 1 398 LYS 398 400 400 LYS LYS A . n A 1 399 TYR 399 401 401 TYR TYR A . n A 1 400 GLY 400 402 402 GLY GLY A . n A 1 401 ARG 401 403 403 ARG ARG A . n A 1 402 CYS 402 404 404 CYS CYS A . n A 1 403 GLN 403 405 405 GLN GLN A . n A 1 404 LEU 404 406 406 LEU LEU A . n A 1 405 LYS 405 407 407 LYS LYS A . n A 1 406 THR 406 408 408 THR THR A . n A 1 407 ASP 407 409 409 ASP ASP A . n A 1 408 SER 408 410 410 SER SER A . n A 1 409 GLY 409 411 411 GLY GLY A . n A 1 410 ARG 410 412 412 ARG ARG A . n A 1 411 ILE 411 413 413 ILE ILE A . n A 1 412 PRO 412 414 414 PRO PRO A . n A 1 413 THR 413 415 415 THR THR A . n A 1 414 LEU 414 416 416 LEU LEU A . n A 1 415 PRO 415 417 417 PRO PRO A . n A 1 416 SER 416 418 418 SER SER A . n A 1 417 GLY 417 419 419 GLY GLY A . n A 1 418 LEU 418 420 420 LEU LEU A . n A 1 419 ILE 419 421 421 ILE ILE A . n A 1 420 ILE 420 422 422 ILE ILE A . n A 1 421 PRO 421 423 423 PRO PRO A . n A 1 422 GLN 422 424 424 GLN GLN A . n A 1 423 ALA 423 425 425 ALA ALA A . n A 1 424 GLY 424 426 426 GLY GLY A . n A 1 425 THR 425 427 427 THR THR A . n A 1 426 ASP 426 428 428 ASP ASP A . n A 1 427 SER 427 429 429 SER SER A . n B 2 1 ILE 1 1 ? ? ? B . n B 2 2 PHE 2 2 ? ? ? B . n B 2 3 GLY 3 3 ? ? ? B . n B 2 4 ILE 4 4 ? ? ? B . n B 2 5 ASP 5 5 ? ? ? B . n B 2 6 ASP 6 6 ? ? ? B . n B 2 7 LEU 7 7 ? ? ? B . n B 2 8 ILE 8 8 ? ? ? B . n B 2 9 PHE 9 9 9 PHE PHE B . n B 2 10 GLY 10 10 10 GLY GLY B . n B 2 11 LEU 11 11 11 LEU LEU B . n B 2 12 LEU 12 12 12 LEU LEU B . n B 2 13 PHE 13 13 13 PHE PHE B . n B 2 14 VAL 14 14 14 VAL VAL B . n B 2 15 GLY 15 15 15 GLY GLY B . n B 2 16 PHE 16 16 16 PHE PHE B . n B 2 17 VAL 17 17 17 VAL VAL B . n B 2 18 ALA 18 18 18 ALA ALA B . n B 2 19 GLY 19 19 19 GLY GLY B . n B 2 20 GLY 20 20 20 GLY GLY B . n B 2 21 VAL 21 21 21 VAL VAL B . n B 2 22 ALA 22 22 22 ALA ALA B . n B 2 23 GLY 23 23 23 GLY GLY B . n B 2 24 GLY 24 24 24 GLY GLY B . n B 2 25 TYR 25 25 25 TYR TYR B . n B 2 26 PHE 26 26 26 PHE PHE B . n B 2 27 TRP 27 27 27 TRP TRP B . n B 2 28 GLY 28 28 28 GLY GLY B . n B 2 29 ARG 29 29 29 ARG ARG B . n B 2 30 SER 30 30 30 SER SER B . n B 2 31 ASN 31 31 31 ASN ASN B . n B 2 32 GLY 32 32 32 GLY GLY B . n B 2 33 GLY 33 33 33 GLY GLY B . n B 2 34 GLY 34 34 34 GLY GLY B . n B 2 35 GLY 35 35 35 GLY GLY B . n B 2 36 GLY 36 36 36 GLY GLY B . n B 2 37 ALA 37 37 37 ALA ALA B . n B 2 38 SER 38 38 38 SER SER B . n B 2 39 VAL 39 39 39 VAL VAL B . n B 2 40 SER 40 40 40 SER SER B . n B 2 41 SER 41 41 41 SER SER B . n B 2 42 THR 42 42 42 THR THR B . n B 2 43 GLN 43 43 43 GLN GLN B . n B 2 44 ALA 44 44 44 ALA ALA B . n B 2 45 GLY 45 45 45 GLY GLY B . n B 2 46 PHE 46 46 46 PHE PHE B . n B 2 47 ASP 47 47 47 ASP ASP B . n B 2 48 LYS 48 48 48 LYS LYS B . n B 2 49 ILE 49 49 49 ILE ILE B . n B 2 50 GLY 50 50 50 GLY GLY B . n B 2 51 LYS 51 51 51 LYS LYS B . n B 2 52 ASP 52 52 52 ASP ASP B . n B 2 53 ILE 53 53 53 ILE ILE B . n B 2 54 GLN 54 54 54 GLN GLN B . n B 2 55 GLN 55 55 55 GLN GLN B . n B 2 56 LEU 56 56 56 LEU LEU B . n B 2 57 ARG 57 57 57 ARG ARG B . n B 2 58 ASN 58 58 58 ASN ASN B . n B 2 59 ASP 59 59 59 ASP ASP B . n B 2 60 THR 60 60 60 THR THR B . n B 2 61 ASN 61 61 61 ASN ASN B . n B 2 62 ALA 62 62 62 ALA ALA B . n B 2 63 ALA 63 63 63 ALA ALA B . n B 2 64 ILE 64 64 64 ILE ILE B . n B 2 65 GLU 65 65 65 GLU GLU B . n B 2 66 GLY 66 66 66 GLY GLY B . n B 2 67 PHE 67 67 67 PHE PHE B . n B 2 68 ASN 68 68 68 ASN ASN B . n B 2 69 GLY 69 69 69 GLY GLY B . n B 2 70 ARG 70 70 70 ARG ARG B . n B 2 71 ILE 71 71 71 ILE ILE B . n B 2 72 ALA 72 72 72 ALA ALA B . n B 2 73 HIS 73 73 73 HIS HIS B . n B 2 74 ASP 74 74 74 ASP ASP B . n B 2 75 GLU 75 75 75 GLU GLU B . n B 2 76 GLN 76 76 76 GLN GLN B . n B 2 77 ALA 77 77 77 ALA ALA B . n B 2 78 ILE 78 78 78 ILE ILE B . n B 2 79 LYS 79 79 79 LYS LYS B . n B 2 80 ASN 80 80 80 ASN ASN B . n B 2 81 LEU 81 81 81 LEU LEU B . n B 2 82 ALA 82 82 82 ALA ALA B . n B 2 83 LYS 83 83 83 LYS LYS B . n B 2 84 GLU 84 84 84 GLU GLU B . n B 2 85 ILE 85 85 85 ILE ILE B . n B 2 86 GLU 86 86 86 GLU GLU B . n B 2 87 ASP 87 87 87 ASP ASP B . n B 2 88 ALA 88 88 88 ALA ALA B . n B 2 89 ARG 89 89 89 ARG ARG B . n B 2 90 ALA 90 90 90 ALA ALA B . n B 2 91 GLU 91 91 91 GLU GLU B . n B 2 92 ALA 92 92 92 ALA ALA B . n B 2 93 LEU 93 93 93 LEU LEU B . n B 2 94 VAL 94 94 94 VAL VAL B . n B 2 95 GLY 95 95 95 GLY GLY B . n B 2 96 GLU 96 96 96 GLU GLU B . n B 2 97 LEU 97 97 97 LEU LEU B . n B 2 98 GLY 98 98 98 GLY GLY B . n B 2 99 ILE 99 99 99 ILE ILE B . n B 2 100 ILE 100 100 100 ILE ILE B . n B 2 101 ARG 101 101 101 ARG ARG B . n B 2 102 SER 102 102 102 SER SER B . n B 2 103 LEU 103 103 103 LEU LEU B . n B 2 104 ILE 104 104 104 ILE ILE B . n B 2 105 VAL 105 105 105 VAL VAL B . n B 2 106 ALA 106 106 106 ALA ALA B . n B 2 107 ASN 107 107 107 ASN ASN B . n B 2 108 ILE 108 108 108 ILE ILE B . n B 2 109 SER 109 109 109 SER SER B . n B 2 110 MET 110 110 110 MET MET B . n B 2 111 ASN 111 111 111 ASN ASN B . n B 2 112 LEU 112 112 112 LEU LEU B . n B 2 113 LYS 113 113 113 LYS LYS B . n B 2 114 GLU 114 114 114 GLU GLU B . n B 2 115 SER 115 115 115 SER SER B . n B 2 116 LEU 116 116 116 LEU LEU B . n B 2 117 TYR 117 117 117 TYR TYR B . n B 2 118 GLU 118 118 118 GLU GLU B . n B 2 119 LEU 119 119 119 LEU LEU B . n B 2 120 ALA 120 120 120 ALA ALA B . n B 2 121 ASN 121 121 121 ASN ASN B . n B 2 122 GLN 122 122 122 GLN GLN B . n B 2 123 ILE 123 123 123 ILE ILE B . n B 2 124 THR 124 124 124 THR THR B . n B 2 125 LYS 125 125 125 LYS LYS B . n B 2 126 ARG 126 126 126 ARG ARG B . n B 2 127 GLY 127 127 127 GLY GLY B . n B 2 128 GLY 128 128 128 GLY GLY B . n B 2 129 GLY 129 129 129 GLY GLY B . n B 2 130 ILE 130 130 130 ILE ILE B . n B 2 131 ALA 131 131 131 ALA ALA B . n B 2 132 GLN 132 132 132 GLN GLN B . n B 2 133 GLU 133 133 133 GLU GLU B . n B 2 134 ALA 134 134 134 ALA ALA B . n B 2 135 GLY 135 135 135 GLY GLY B . n B 2 136 PRO 136 136 136 PRO PRO B . n B 2 137 GLY 137 137 137 GLY GLY B . n B 2 138 CYS 138 138 138 CYS CYS B . n B 2 139 TRP 139 139 139 TRP TRP B . n B 2 140 TYR 140 140 140 TYR TYR B . n B 2 141 VAL 141 141 141 VAL VAL B . n B 2 142 ASP 142 142 142 ASP ASP B . n B 2 143 SER 143 143 143 SER SER B . n B 2 144 GLU 144 144 144 GLU GLU B . n B 2 145 ASN 145 145 145 ASN ASN B . n B 2 146 CYS 146 146 146 CYS CYS B . n B 2 147 ASP 147 147 147 ASP ASP B . n B 2 148 ALA 148 148 148 ALA ALA B . n B 2 149 SER 149 149 149 SER SER B . n B 2 150 CYS 150 150 150 CYS CYS B . n B 2 151 LYS 151 151 151 LYS LYS B . n B 2 152 GLU 152 152 152 GLU GLU B . n B 2 153 TYR 153 153 153 TYR TYR B . n B 2 154 ILE 154 154 154 ILE ILE B . n B 2 155 PHE 155 155 155 PHE PHE B . n B 2 156 ASN 156 156 156 ASN ASN B . n B 2 157 PHE 157 157 157 PHE PHE B . n B 2 158 ASN 158 158 ? ? ? B . n B 2 159 GLY 159 159 ? ? ? B . n B 2 160 SER 160 160 ? ? ? B . n B 2 161 ALA 161 161 ? ? ? B . n B 2 162 THR 162 162 ? ? ? B . n B 2 163 VAL 163 163 ? ? ? B . n B 2 164 PRO 164 164 ? ? ? B . n B 2 165 THR 165 165 ? ? ? B . n B 2 166 LEU 166 166 ? ? ? B . n C 1 1 GLU 1 3 3 GLU GLU C . n C 1 2 LEU 2 4 4 LEU LEU C . n C 1 3 ILE 3 5 5 ILE ILE C . n C 1 4 CYS 4 6 6 CYS CYS C . n C 1 5 ILE 5 7 7 ILE ILE C . n C 1 6 VAL 6 8 8 VAL VAL C . n C 1 7 GLN 7 9 9 GLN GLN C . n C 1 8 ARG 8 10 10 ARG ARG C . n C 1 9 VAL 9 11 11 VAL VAL C . n C 1 10 ASN 10 12 12 ASN ASN C . n C 1 11 GLU 11 13 13 GLU GLU C . n C 1 12 SER 12 14 14 SER SER C . n C 1 13 PHE 13 15 15 PHE PHE C . n C 1 14 SER 14 16 16 SER SER C . n C 1 15 LEU 15 17 17 LEU LEU C . n C 1 16 HIS 16 18 18 HIS HIS C . n C 1 17 SER 17 19 19 SER SER C . n C 1 18 GLY 18 20 20 GLY GLY C . n C 1 19 PHE 19 21 21 PHE PHE C . n C 1 20 GLY 20 22 22 GLY GLY C . n C 1 21 GLY 21 23 23 GLY GLY C . n C 1 22 ASN 22 24 24 ASN ASN C . n C 1 23 VAL 23 25 25 VAL VAL C . n C 1 24 TYR 24 26 26 TYR TYR C . n C 1 25 SER 25 27 27 SER SER C . n C 1 26 MET 26 28 28 MET MET C . n C 1 27 LYS 27 29 29 LYS LYS C . n C 1 28 THR 28 30 30 THR THR C . n C 1 29 GLU 29 31 31 GLU GLU C . n C 1 30 PRO 30 32 32 PRO PRO C . n C 1 31 MET 31 33 33 MET MET C . n C 1 32 THR 32 34 34 THR THR C . n C 1 33 GLY 33 35 35 GLY GLY C . n C 1 34 PHE 34 36 36 PHE PHE C . n C 1 35 THR 35 37 37 THR THR C . n C 1 36 ASN 36 38 38 ASN ASN C . n C 1 37 VAL 37 39 39 VAL VAL C . n C 1 38 THR 38 40 40 THR THR C . n C 1 39 LYS 39 41 41 LYS LYS C . n C 1 40 GLY 40 42 42 GLY GLY C . n C 1 41 ALA 41 43 43 ALA ALA C . n C 1 42 SER 42 44 44 SER SER C . n C 1 43 VAL 43 45 45 VAL VAL C . n C 1 44 ILE 44 46 46 ILE ILE C . n C 1 45 ASN 45 47 47 ASN ASN C . n C 1 46 GLN 46 48 48 GLN GLN C . n C 1 47 LYS 47 49 49 LYS LYS C . n C 1 48 ASP 48 50 50 ASP ASP C . n C 1 49 TRP 49 51 51 TRP TRP C . n C 1 50 ILE 50 52 52 ILE ILE C . n C 1 51 GLY 51 53 53 GLY GLY C . n C 1 52 PHE 52 54 54 PHE PHE C . n C 1 53 GLY 53 55 55 GLY GLY C . n C 1 54 ASP 54 56 56 ASP ASP C . n C 1 55 SER 55 57 57 SER SER C . n C 1 56 ARG 56 58 58 ARG ARG C . n C 1 57 THR 57 59 59 THR THR C . n C 1 58 ASP 58 60 60 ASP ASP C . n C 1 59 LEU 59 61 61 LEU LEU C . n C 1 60 THR 60 62 62 THR THR C . n C 1 61 ASN 61 63 63 ASN ASN C . n C 1 62 ASP 62 64 64 ASP ASP C . n C 1 63 GLN 63 65 65 GLN GLN C . n C 1 64 PHE 64 66 66 PHE PHE C . n C 1 65 PRO 65 67 67 PRO PRO C . n C 1 66 ALA 66 68 68 ALA ALA C . n C 1 67 SER 67 69 69 SER SER C . n C 1 68 SER 68 70 70 SER SER C . n C 1 69 ASP 69 71 71 ASP ASP C . n C 1 70 VAL 70 72 72 VAL VAL C . n C 1 71 PRO 71 73 73 PRO PRO C . n C 1 72 LEU 72 74 74 LEU LEU C . n C 1 73 ALA 73 75 75 ALA ALA C . n C 1 74 VAL 74 76 76 VAL VAL C . n C 1 75 ALA 75 77 77 ALA ALA C . n C 1 76 LYS 76 78 78 LYS LYS C . n C 1 77 LYS 77 79 79 LYS LYS C . n C 1 78 PHE 78 80 80 PHE PHE C . n C 1 79 ARG 79 81 81 ARG ARG C . n C 1 80 SER 80 82 82 SER SER C . n C 1 81 LEU 81 83 83 LEU LEU C . n C 1 82 SER 82 84 84 SER SER C . n C 1 83 GLY 83 85 85 GLY GLY C . n C 1 84 ALA 84 86 86 ALA ALA C . n C 1 85 SER 85 87 87 SER SER C . n C 1 86 LEU 86 88 88 LEU LEU C . n C 1 87 MET 87 89 89 MET MET C . n C 1 88 LEU 88 90 90 LEU LEU C . n C 1 89 SER 89 91 91 SER SER C . n C 1 90 ALA 90 92 92 ALA ALA C . n C 1 91 PHE 91 93 93 PHE PHE C . n C 1 92 GLY 92 94 94 GLY GLY C . n C 1 93 PRO 93 95 95 PRO PRO C . n C 1 94 PRO 94 96 96 PRO PRO C . n C 1 95 GLY 95 97 97 GLY GLY C . n C 1 96 LYS 96 98 98 LYS LYS C . n C 1 97 VAL 97 99 99 VAL VAL C . n C 1 98 ASP 98 100 100 ASP ASP C . n C 1 99 TYR 99 101 101 TYR TYR C . n C 1 100 LEU 100 102 102 LEU LEU C . n C 1 101 TYR 101 103 103 TYR TYR C . n C 1 102 GLN 102 104 104 GLN GLN C . n C 1 103 GLY 103 105 105 GLY GLY C . n C 1 104 CYS 104 106 106 CYS CYS C . n C 1 105 GLY 105 107 107 GLY GLY C . n C 1 106 LYS 106 108 108 LYS LYS C . n C 1 107 GLU 107 109 109 GLU GLU C . n C 1 108 LYS 108 110 110 LYS LYS C . n C 1 109 VAL 109 111 111 VAL VAL C . n C 1 110 PHE 110 112 112 PHE PHE C . n C 1 111 TYR 111 113 113 TYR TYR C . n C 1 112 GLU 112 114 114 GLU GLU C . n C 1 113 GLY 113 115 115 GLY GLY C . n C 1 114 VAL 114 116 116 VAL VAL C . n C 1 115 ASN 115 117 117 ASN ASN C . n C 1 116 TRP 116 118 118 TRP TRP C . n C 1 117 SER 117 119 119 SER SER C . n C 1 118 PRO 118 120 120 PRO PRO C . n C 1 119 GLU 119 121 121 GLU GLU C . n C 1 120 ALA 120 122 122 ALA ALA C . n C 1 121 GLY 121 123 123 GLY GLY C . n C 1 122 ILE 122 124 124 ILE ILE C . n C 1 123 ASP 123 125 125 ASP ASP C . n C 1 124 CYS 124 126 126 CYS CYS C . n C 1 125 PHE 125 127 127 PHE PHE C . n C 1 126 GLY 126 128 128 GLY GLY C . n C 1 127 SER 127 129 129 SER SER C . n C 1 128 ASN 128 130 130 ASN ASN C . n C 1 129 TRP 129 131 131 TRP TRP C . n C 1 130 THR 130 132 132 THR THR C . n C 1 131 GLN 131 133 133 GLN GLN C . n C 1 132 THR 132 134 134 THR THR C . n C 1 133 LYS 133 135 135 LYS LYS C . n C 1 134 LYS 134 136 136 LYS LYS C . n C 1 135 ASP 135 137 137 ASP ASP C . n C 1 136 PHE 136 138 138 PHE PHE C . n C 1 137 TYR 137 139 139 TYR TYR C . n C 1 138 SER 138 140 140 SER SER C . n C 1 139 ARG 139 141 141 ARG ARG C . n C 1 140 ILE 140 142 142 ILE ILE C . n C 1 141 TYR 141 143 143 TYR TYR C . n C 1 142 GLU 142 144 144 GLU GLU C . n C 1 143 ALA 143 145 145 ALA ALA C . n C 1 144 ALA 144 146 146 ALA ALA C . n C 1 145 ARG 145 147 147 ARG ARG C . n C 1 146 SER 146 148 148 SER SER C . n C 1 147 SER 147 149 149 SER SER C . n C 1 148 THR 148 150 150 THR THR C . n C 1 149 CYS 149 151 151 CYS CYS C . n C 1 150 MET 150 152 152 MET MET C . n C 1 151 THR 151 153 153 THR THR C . n C 1 152 LEU 152 154 154 LEU LEU C . n C 1 153 VAL 153 155 155 VAL VAL C . n C 1 154 ASN 154 156 156 ASN ASN C . n C 1 155 SER 155 157 157 SER SER C . n C 1 156 LEU 156 158 158 LEU LEU C . n C 1 157 ASP 157 159 159 ASP ASP C . n C 1 158 THR 158 160 160 THR THR C . n C 1 159 LYS 159 161 161 LYS LYS C . n C 1 160 ILE 160 162 162 ILE ILE C . n C 1 161 SER 161 163 163 SER SER C . n C 1 162 SER 162 164 164 SER SER C . n C 1 163 THR 163 165 165 THR THR C . n C 1 164 THR 164 166 166 THR THR C . n C 1 165 ALA 165 167 167 ALA ALA C . n C 1 166 THR 166 168 168 THR THR C . n C 1 167 ALA 167 169 169 ALA ALA C . n C 1 168 GLY 168 170 170 GLY GLY C . n C 1 169 THR 169 171 171 THR THR C . n C 1 170 ALA 170 172 172 ALA ALA C . n C 1 171 SER 171 173 173 SER SER C . n C 1 172 SER 172 174 174 SER SER C . n C 1 173 CYS 173 175 175 CYS CYS C . n C 1 174 SER 174 176 176 SER SER C . n C 1 175 SER 175 177 177 SER SER C . n C 1 176 SER 176 178 178 SER SER C . n C 1 177 TRP 177 179 179 TRP TRP C . n C 1 178 MET 178 180 180 MET MET C . n C 1 179 LYS 179 181 181 LYS LYS C . n C 1 180 SER 180 182 182 SER SER C . n C 1 181 PRO 181 183 183 PRO PRO C . n C 1 182 LEU 182 184 184 LEU LEU C . n C 1 183 TRP 183 185 185 TRP TRP C . n C 1 184 TYR 184 186 186 TYR TYR C . n C 1 185 ALA 185 187 187 ALA ALA C . n C 1 186 GLU 186 188 188 GLU GLU C . n C 1 187 SER 187 189 189 SER SER C . n C 1 188 SER 188 190 190 SER SER C . n C 1 189 VAL 189 191 191 VAL VAL C . n C 1 190 ASN 190 192 192 ASN ASN C . n C 1 191 PRO 191 193 193 PRO PRO C . n C 1 192 GLY 192 194 ? ? ? C . n C 1 193 ALA 193 195 ? ? ? C . n C 1 194 LYS 194 196 ? ? ? C . n C 1 195 PRO 195 197 197 PRO PRO C . n C 1 196 GLN 196 198 198 GLN GLN C . n C 1 197 VAL 197 199 199 VAL VAL C . n C 1 198 CYS 198 200 200 CYS CYS C . n C 1 199 GLY 199 201 201 GLY GLY C . n C 1 200 THR 200 202 202 THR THR C . n C 1 201 GLU 201 203 203 GLU GLU C . n C 1 202 GLN 202 204 204 GLN GLN C . n C 1 203 SER 203 205 205 SER SER C . n C 1 204 ALA 204 206 206 ALA ALA C . n C 1 205 THR 205 207 207 THR THR C . n C 1 206 PHE 206 208 208 PHE PHE C . n C 1 207 THR 207 209 209 THR THR C . n C 1 208 LEU 208 210 210 LEU LEU C . n C 1 209 PRO 209 211 211 PRO PRO C . n C 1 210 THR 210 212 212 THR THR C . n C 1 211 SER 211 213 213 SER SER C . n C 1 212 PHE 212 214 214 PHE PHE C . n C 1 213 GLY 213 215 215 GLY GLY C . n C 1 214 ILE 214 216 216 ILE ILE C . n C 1 215 TYR 215 217 217 TYR TYR C . n C 1 216 LYS 216 218 218 LYS LYS C . n C 1 217 CYS 217 219 219 CYS CYS C . n C 1 218 ASN 218 220 220 ASN ASN C . n C 1 219 LYS 219 221 221 LYS LYS C . n C 1 220 HIS 220 222 222 HIS HIS C . n C 1 221 VAL 221 223 223 VAL VAL C . n C 1 222 VAL 222 224 224 VAL VAL C . n C 1 223 GLN 223 225 225 GLN GLN C . n C 1 224 LEU 224 226 226 LEU LEU C . n C 1 225 CYS 225 227 227 CYS CYS C . n C 1 226 TYR 226 228 228 TYR TYR C . n C 1 227 PHE 227 229 229 PHE PHE C . n C 1 228 VAL 228 230 230 VAL VAL C . n C 1 229 TYR 229 231 231 TYR TYR C . n C 1 230 GLU 230 232 232 GLU GLU C . n C 1 231 ASN 231 233 233 ASN ASN C . n C 1 232 LYS 232 234 ? ? ? C . n C 1 233 ALA 233 235 ? ? ? C . n C 1 234 LYS 234 236 ? ? ? C . n C 1 235 PHE 235 237 237 PHE PHE C . n C 1 236 ASN 236 238 238 ASN ASN C . n C 1 237 THR 237 239 239 THR THR C . n C 1 238 PHE 238 240 240 PHE PHE C . n C 1 239 GLY 239 241 241 GLY GLY C . n C 1 240 CYS 240 242 242 CYS CYS C . n C 1 241 GLY 241 243 243 GLY GLY C . n C 1 242 ASP 242 244 244 ASP ASP C . n C 1 243 TYR 243 245 245 TYR TYR C . n C 1 244 TYR 244 246 246 TYR TYR C . n C 1 245 GLN 245 247 247 GLN GLN C . n C 1 246 ASN 246 248 248 ASN ASN C . n C 1 247 TYR 247 249 249 TYR TYR C . n C 1 248 TYR 248 250 250 TYR TYR C . n C 1 249 ASP 249 251 251 ASP ASP C . n C 1 250 GLY 250 252 252 GLY GLY C . n C 1 251 ASN 251 253 253 ASN ASN C . n C 1 252 GLY 252 254 254 GLY GLY C . n C 1 253 ASN 253 255 255 ASN ASN C . n C 1 254 LEU 254 256 256 LEU LEU C . n C 1 255 ILE 255 257 257 ILE ILE C . n C 1 256 GLY 256 258 258 GLY GLY C . n C 1 257 GLY 257 259 259 GLY GLY C . n C 1 258 MET 258 260 260 MET MET C . n C 1 259 ASP 259 261 261 ASP ASP C . n C 1 260 ASN 260 262 262 ASN ASN C . n C 1 261 ARG 261 263 263 ARG ARG C . n C 1 262 VAL 262 264 264 VAL VAL C . n C 1 263 ALA 263 265 265 ALA ALA C . n C 1 264 ALA 264 266 266 ALA ALA C . n C 1 265 TYR 265 267 267 TYR TYR C . n C 1 266 ARG 266 268 268 ARG ARG C . n C 1 267 GLY 267 269 269 GLY GLY C . n C 1 268 ILE 268 270 270 ILE ILE C . n C 1 269 ALA 269 271 271 ALA ALA C . n C 1 270 ASN 270 272 272 ASN ASN C . n C 1 271 ALA 271 273 273 ALA ALA C . n C 1 272 GLY 272 274 274 GLY GLY C . n C 1 273 VAL 273 275 275 VAL VAL C . n C 1 274 LYS 274 276 276 LYS LYS C . n C 1 275 ILE 275 277 277 ILE ILE C . n C 1 276 GLU 276 278 278 GLU GLU C . n C 1 277 CYS 277 279 279 CYS CYS C . n C 1 278 PRO 278 280 280 PRO PRO C . n C 1 279 SER 279 281 281 SER SER C . n C 1 280 LYS 280 282 282 LYS LYS C . n C 1 281 ILE 281 283 283 ILE ILE C . n C 1 282 LEU 282 284 284 LEU LEU C . n C 1 283 ASN 283 285 285 ASN ASN C . n C 1 284 PRO 284 286 286 PRO PRO C . n C 1 285 GLY 285 287 287 GLY GLY C . n C 1 286 THR 286 288 288 THR THR C . n C 1 287 TYR 287 289 289 TYR TYR C . n C 1 288 SER 288 290 290 SER SER C . n C 1 289 ILE 289 291 291 ILE ILE C . n C 1 290 LYS 290 292 292 LYS LYS C . n C 1 291 SER 291 293 293 SER SER C . n C 1 292 THR 292 294 294 THR THR C . n C 1 293 PRO 293 295 295 PRO PRO C . n C 1 294 ARG 294 296 296 ARG ARG C . n C 1 295 PHE 295 297 297 PHE PHE C . n C 1 296 LEU 296 298 298 LEU LEU C . n C 1 297 LEU 297 299 299 LEU LEU C . n C 1 298 VAL 298 300 300 VAL VAL C . n C 1 299 PRO 299 301 301 PRO PRO C . n C 1 300 LYS 300 302 302 LYS LYS C . n C 1 301 ARG 301 303 303 ARG ARG C . n C 1 302 SER 302 304 304 SER SER C . n C 1 303 TYR 303 305 305 TYR TYR C . n C 1 304 CYS 304 306 306 CYS CYS C . n C 1 305 PHE 305 307 307 PHE PHE C . n C 1 306 ASP 306 308 308 ASP ASP C . n C 1 307 THR 307 309 309 THR THR C . n C 1 308 ASP 308 310 310 ASP ASP C . n C 1 309 GLY 309 311 311 GLY GLY C . n C 1 310 GLY 310 312 312 GLY GLY C . n C 1 311 TYR 311 313 313 TYR TYR C . n C 1 312 PRO 312 314 314 PRO PRO C . n C 1 313 ILE 313 315 315 ILE ILE C . n C 1 314 GLN 314 316 316 GLN GLN C . n C 1 315 VAL 315 317 317 VAL VAL C . n C 1 316 VAL 316 318 318 VAL VAL C . n C 1 317 GLN 317 319 319 GLN GLN C . n C 1 318 SER 318 320 320 SER SER C . n C 1 319 GLU 319 321 321 GLU GLU C . n C 1 320 TRP 320 322 322 TRP TRP C . n C 1 321 SER 321 323 323 SER SER C . n C 1 322 ALA 322 324 324 ALA ALA C . n C 1 323 SER 323 325 325 SER SER C . n C 1 324 ARG 324 326 326 ARG ARG C . n C 1 325 ARG 325 327 327 ARG ARG C . n C 1 326 SER 326 328 328 SER SER C . n C 1 327 ASP 327 329 329 ASP ASP C . n C 1 328 ASN 328 330 330 ASN ASN C . n C 1 329 ALA 329 331 331 ALA ALA C . n C 1 330 THR 330 332 332 THR THR C . n C 1 331 GLU 331 333 333 GLU GLU C . n C 1 332 GLU 332 334 334 GLU GLU C . n C 1 333 ALA 333 335 335 ALA ALA C . n C 1 334 CYS 334 336 336 CYS CYS C . n C 1 335 LEU 335 337 337 LEU LEU C . n C 1 336 GLN 336 338 338 GLN GLN C . n C 1 337 THR 337 339 339 THR THR C . n C 1 338 GLU 338 340 340 GLU GLU C . n C 1 339 GLY 339 341 341 GLY GLY C . n C 1 340 CYS 340 342 342 CYS CYS C . n C 1 341 ILE 341 343 343 ILE ILE C . n C 1 342 PHE 342 344 344 PHE PHE C . n C 1 343 ILE 343 345 345 ILE ILE C . n C 1 344 LYS 344 346 346 LYS LYS C . n C 1 345 LYS 345 347 347 LYS LYS C . n C 1 346 THR 346 348 348 THR THR C . n C 1 347 THR 347 349 349 THR THR C . n C 1 348 PRO 348 350 350 PRO PRO C . n C 1 349 TYR 349 351 351 TYR TYR C . n C 1 350 VAL 350 352 352 VAL VAL C . n C 1 351 GLY 351 353 353 GLY GLY C . n C 1 352 GLU 352 354 354 GLU GLU C . n C 1 353 ALA 353 355 355 ALA ALA C . n C 1 354 ASP 354 356 356 ASP ASP C . n C 1 355 ASP 355 357 357 ASP ASP C . n C 1 356 ASN 356 358 358 ASN ASN C . n C 1 357 HIS 357 359 359 HIS HIS C . n C 1 358 GLY 358 360 360 GLY GLY C . n C 1 359 ASP 359 361 361 ASP ASP C . n C 1 360 ILE 360 362 362 ILE ILE C . n C 1 361 GLU 361 363 363 GLU GLU C . n C 1 362 MET 362 364 364 MET MET C . n C 1 363 ARG 363 365 365 ARG ARG C . n C 1 364 GLN 364 366 366 GLN GLN C . n C 1 365 LEU 365 367 367 LEU LEU C . n C 1 366 LEU 366 368 368 LEU LEU C . n C 1 367 SER 367 369 369 SER SER C . n C 1 368 GLY 368 370 370 GLY GLY C . n C 1 369 LEU 369 371 371 LEU LEU C . n C 1 370 GLY 370 372 372 GLY GLY C . n C 1 371 ASN 371 373 373 ASN ASN C . n C 1 372 ASN 372 374 374 ASN ASN C . n C 1 373 ASP 373 375 375 ASP ASP C . n C 1 374 THR 374 376 376 THR THR C . n C 1 375 VAL 375 377 377 VAL VAL C . n C 1 376 CYS 376 378 378 CYS CYS C . n C 1 377 VAL 377 379 379 VAL VAL C . n C 1 378 SER 378 380 380 SER SER C . n C 1 379 GLN 379 381 381 GLN GLN C . n C 1 380 SER 380 382 382 SER SER C . n C 1 381 GLY 381 383 383 GLY GLY C . n C 1 382 TYR 382 384 384 TYR TYR C . n C 1 383 THR 383 385 385 THR THR C . n C 1 384 LYS 384 386 386 LYS LYS C . n C 1 385 GLY 385 387 387 GLY GLY C . n C 1 386 GLU 386 388 388 GLU GLU C . n C 1 387 THR 387 389 389 THR THR C . n C 1 388 PRO 388 390 390 PRO PRO C . n C 1 389 PHE 389 391 391 PHE PHE C . n C 1 390 VAL 390 392 392 VAL VAL C . n C 1 391 LYS 391 393 393 LYS LYS C . n C 1 392 ASP 392 394 394 ASP ASP C . n C 1 393 TYR 393 395 395 TYR TYR C . n C 1 394 LEU 394 396 396 LEU LEU C . n C 1 395 SER 395 397 397 SER SER C . n C 1 396 PRO 396 398 398 PRO PRO C . n C 1 397 PRO 397 399 399 PRO PRO C . n C 1 398 LYS 398 400 400 LYS LYS C . n C 1 399 TYR 399 401 401 TYR TYR C . n C 1 400 GLY 400 402 402 GLY GLY C . n C 1 401 ARG 401 403 403 ARG ARG C . n C 1 402 CYS 402 404 404 CYS CYS C . n C 1 403 GLN 403 405 405 GLN GLN C . n C 1 404 LEU 404 406 406 LEU LEU C . n C 1 405 LYS 405 407 407 LYS LYS C . n C 1 406 THR 406 408 408 THR THR C . n C 1 407 ASP 407 409 409 ASP ASP C . n C 1 408 SER 408 410 410 SER SER C . n C 1 409 GLY 409 411 411 GLY GLY C . n C 1 410 ARG 410 412 412 ARG ARG C . n C 1 411 ILE 411 413 413 ILE ILE C . n C 1 412 PRO 412 414 414 PRO PRO C . n C 1 413 THR 413 415 415 THR THR C . n C 1 414 LEU 414 416 416 LEU LEU C . n C 1 415 PRO 415 417 417 PRO PRO C . n C 1 416 SER 416 418 418 SER SER C . n C 1 417 GLY 417 419 419 GLY GLY C . n C 1 418 LEU 418 420 420 LEU LEU C . n C 1 419 ILE 419 421 421 ILE ILE C . n C 1 420 ILE 420 422 422 ILE ILE C . n C 1 421 PRO 421 423 423 PRO PRO C . n C 1 422 GLN 422 424 424 GLN GLN C . n C 1 423 ALA 423 425 425 ALA ALA C . n C 1 424 GLY 424 426 426 GLY GLY C . n C 1 425 THR 425 427 427 THR THR C . n C 1 426 ASP 426 428 428 ASP ASP C . n C 1 427 SER 427 429 429 SER SER C . n D 2 1 ILE 1 1 ? ? ? D . n D 2 2 PHE 2 2 ? ? ? D . n D 2 3 GLY 3 3 ? ? ? D . n D 2 4 ILE 4 4 ? ? ? D . n D 2 5 ASP 5 5 ? ? ? D . n D 2 6 ASP 6 6 ? ? ? D . n D 2 7 LEU 7 7 ? ? ? D . n D 2 8 ILE 8 8 ? ? ? D . n D 2 9 PHE 9 9 9 PHE PHE D . n D 2 10 GLY 10 10 10 GLY GLY D . n D 2 11 LEU 11 11 11 LEU LEU D . n D 2 12 LEU 12 12 12 LEU LEU D . n D 2 13 PHE 13 13 13 PHE PHE D . n D 2 14 VAL 14 14 14 VAL VAL D . n D 2 15 GLY 15 15 15 GLY GLY D . n D 2 16 PHE 16 16 16 PHE PHE D . n D 2 17 VAL 17 17 17 VAL VAL D . n D 2 18 ALA 18 18 18 ALA ALA D . n D 2 19 GLY 19 19 19 GLY GLY D . n D 2 20 GLY 20 20 20 GLY GLY D . n D 2 21 VAL 21 21 21 VAL VAL D . n D 2 22 ALA 22 22 22 ALA ALA D . n D 2 23 GLY 23 23 23 GLY GLY D . n D 2 24 GLY 24 24 24 GLY GLY D . n D 2 25 TYR 25 25 25 TYR TYR D . n D 2 26 PHE 26 26 26 PHE PHE D . n D 2 27 TRP 27 27 27 TRP TRP D . n D 2 28 GLY 28 28 28 GLY GLY D . n D 2 29 ARG 29 29 29 ARG ARG D . n D 2 30 SER 30 30 30 SER SER D . n D 2 31 ASN 31 31 31 ASN ASN D . n D 2 32 GLY 32 32 32 GLY GLY D . n D 2 33 GLY 33 33 33 GLY GLY D . n D 2 34 GLY 34 34 34 GLY GLY D . n D 2 35 GLY 35 35 35 GLY GLY D . n D 2 36 GLY 36 36 36 GLY GLY D . n D 2 37 ALA 37 37 37 ALA ALA D . n D 2 38 SER 38 38 38 SER SER D . n D 2 39 VAL 39 39 39 VAL VAL D . n D 2 40 SER 40 40 40 SER SER D . n D 2 41 SER 41 41 41 SER SER D . n D 2 42 THR 42 42 42 THR THR D . n D 2 43 GLN 43 43 43 GLN GLN D . n D 2 44 ALA 44 44 44 ALA ALA D . n D 2 45 GLY 45 45 45 GLY GLY D . n D 2 46 PHE 46 46 46 PHE PHE D . n D 2 47 ASP 47 47 47 ASP ASP D . n D 2 48 LYS 48 48 48 LYS LYS D . n D 2 49 ILE 49 49 49 ILE ILE D . n D 2 50 GLY 50 50 50 GLY GLY D . n D 2 51 LYS 51 51 51 LYS LYS D . n D 2 52 ASP 52 52 52 ASP ASP D . n D 2 53 ILE 53 53 53 ILE ILE D . n D 2 54 GLN 54 54 54 GLN GLN D . n D 2 55 GLN 55 55 55 GLN GLN D . n D 2 56 LEU 56 56 56 LEU LEU D . n D 2 57 ARG 57 57 57 ARG ARG D . n D 2 58 ASN 58 58 58 ASN ASN D . n D 2 59 ASP 59 59 59 ASP ASP D . n D 2 60 THR 60 60 60 THR THR D . n D 2 61 ASN 61 61 61 ASN ASN D . n D 2 62 ALA 62 62 62 ALA ALA D . n D 2 63 ALA 63 63 63 ALA ALA D . n D 2 64 ILE 64 64 64 ILE ILE D . n D 2 65 GLU 65 65 65 GLU GLU D . n D 2 66 GLY 66 66 66 GLY GLY D . n D 2 67 PHE 67 67 67 PHE PHE D . n D 2 68 ASN 68 68 68 ASN ASN D . n D 2 69 GLY 69 69 69 GLY GLY D . n D 2 70 ARG 70 70 70 ARG ARG D . n D 2 71 ILE 71 71 71 ILE ILE D . n D 2 72 ALA 72 72 72 ALA ALA D . n D 2 73 HIS 73 73 73 HIS HIS D . n D 2 74 ASP 74 74 74 ASP ASP D . n D 2 75 GLU 75 75 75 GLU GLU D . n D 2 76 GLN 76 76 76 GLN GLN D . n D 2 77 ALA 77 77 77 ALA ALA D . n D 2 78 ILE 78 78 78 ILE ILE D . n D 2 79 LYS 79 79 79 LYS LYS D . n D 2 80 ASN 80 80 80 ASN ASN D . n D 2 81 LEU 81 81 81 LEU LEU D . n D 2 82 ALA 82 82 82 ALA ALA D . n D 2 83 LYS 83 83 83 LYS LYS D . n D 2 84 GLU 84 84 84 GLU GLU D . n D 2 85 ILE 85 85 85 ILE ILE D . n D 2 86 GLU 86 86 86 GLU GLU D . n D 2 87 ASP 87 87 87 ASP ASP D . n D 2 88 ALA 88 88 88 ALA ALA D . n D 2 89 ARG 89 89 89 ARG ARG D . n D 2 90 ALA 90 90 90 ALA ALA D . n D 2 91 GLU 91 91 91 GLU GLU D . n D 2 92 ALA 92 92 92 ALA ALA D . n D 2 93 LEU 93 93 93 LEU LEU D . n D 2 94 VAL 94 94 94 VAL VAL D . n D 2 95 GLY 95 95 95 GLY GLY D . n D 2 96 GLU 96 96 96 GLU GLU D . n D 2 97 LEU 97 97 97 LEU LEU D . n D 2 98 GLY 98 98 98 GLY GLY D . n D 2 99 ILE 99 99 99 ILE ILE D . n D 2 100 ILE 100 100 100 ILE ILE D . n D 2 101 ARG 101 101 101 ARG ARG D . n D 2 102 SER 102 102 102 SER SER D . n D 2 103 LEU 103 103 103 LEU LEU D . n D 2 104 ILE 104 104 104 ILE ILE D . n D 2 105 VAL 105 105 105 VAL VAL D . n D 2 106 ALA 106 106 106 ALA ALA D . n D 2 107 ASN 107 107 107 ASN ASN D . n D 2 108 ILE 108 108 108 ILE ILE D . n D 2 109 SER 109 109 109 SER SER D . n D 2 110 MET 110 110 110 MET MET D . n D 2 111 ASN 111 111 111 ASN ASN D . n D 2 112 LEU 112 112 112 LEU LEU D . n D 2 113 LYS 113 113 113 LYS LYS D . n D 2 114 GLU 114 114 114 GLU GLU D . n D 2 115 SER 115 115 115 SER SER D . n D 2 116 LEU 116 116 116 LEU LEU D . n D 2 117 TYR 117 117 117 TYR TYR D . n D 2 118 GLU 118 118 118 GLU GLU D . n D 2 119 LEU 119 119 119 LEU LEU D . n D 2 120 ALA 120 120 120 ALA ALA D . n D 2 121 ASN 121 121 121 ASN ASN D . n D 2 122 GLN 122 122 122 GLN GLN D . n D 2 123 ILE 123 123 123 ILE ILE D . n D 2 124 THR 124 124 124 THR THR D . n D 2 125 LYS 125 125 125 LYS LYS D . n D 2 126 ARG 126 126 126 ARG ARG D . n D 2 127 GLY 127 127 127 GLY GLY D . n D 2 128 GLY 128 128 128 GLY GLY D . n D 2 129 GLY 129 129 129 GLY GLY D . n D 2 130 ILE 130 130 130 ILE ILE D . n D 2 131 ALA 131 131 131 ALA ALA D . n D 2 132 GLN 132 132 132 GLN GLN D . n D 2 133 GLU 133 133 133 GLU GLU D . n D 2 134 ALA 134 134 134 ALA ALA D . n D 2 135 GLY 135 135 135 GLY GLY D . n D 2 136 PRO 136 136 136 PRO PRO D . n D 2 137 GLY 137 137 137 GLY GLY D . n D 2 138 CYS 138 138 138 CYS CYS D . n D 2 139 TRP 139 139 139 TRP TRP D . n D 2 140 TYR 140 140 140 TYR TYR D . n D 2 141 VAL 141 141 141 VAL VAL D . n D 2 142 ASP 142 142 142 ASP ASP D . n D 2 143 SER 143 143 143 SER SER D . n D 2 144 GLU 144 144 144 GLU GLU D . n D 2 145 ASN 145 145 145 ASN ASN D . n D 2 146 CYS 146 146 146 CYS CYS D . n D 2 147 ASP 147 147 147 ASP ASP D . n D 2 148 ALA 148 148 148 ALA ALA D . n D 2 149 SER 149 149 149 SER SER D . n D 2 150 CYS 150 150 150 CYS CYS D . n D 2 151 LYS 151 151 151 LYS LYS D . n D 2 152 GLU 152 152 152 GLU GLU D . n D 2 153 TYR 153 153 153 TYR TYR D . n D 2 154 ILE 154 154 154 ILE ILE D . n D 2 155 PHE 155 155 155 PHE PHE D . n D 2 156 ASN 156 156 156 ASN ASN D . n D 2 157 PHE 157 157 157 PHE PHE D . n D 2 158 ASN 158 158 ? ? ? D . n D 2 159 GLY 159 159 ? ? ? D . n D 2 160 SER 160 160 ? ? ? D . n D 2 161 ALA 161 161 ? ? ? D . n D 2 162 THR 162 162 ? ? ? D . n D 2 163 VAL 163 163 ? ? ? D . n D 2 164 PRO 164 164 ? ? ? D . n D 2 165 THR 165 165 ? ? ? D . n D 2 166 LEU 166 166 ? ? ? D . 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 E 3 NAG 1 701 701 NAG NAG A . F 3 NAG 2 702 702 NAG NAG A . G 4 BMA 3 703 703 BMA BMA A . H 5 MAN 4 704 704 MAN MAN A . I 5 MAN 5 705 705 MAN MAN A . J 5 MAN 6 706 706 MAN MAN A . K 3 NAG 1 707 707 NAG NAG A . L 3 NAG 2 708 708 NAG NAG A . M 4 BMA 3 709 709 BMA BMA A . N 5 MAN 4 710 710 MAN MAN A . O 5 MAN 5 711 711 MAN MAN A . P 5 MAN 6 712 712 MAN MAN A . Q 3 NAG 1 713 713 NAG NAG A . R 3 NAG 2 714 714 NAG NAG A . S 6 CAC 1 715 715 CAC CAC A . T 3 NAG 1 701 701 NAG NAG B . U 3 NAG 2 702 702 NAG NAG B . V 3 NAG 1 703 703 NAG NAG B . W 3 NAG 1 701 701 NAG NAG C . X 3 NAG 2 702 702 NAG NAG C . Y 4 BMA 3 703 703 BMA BMA C . Z 5 MAN 4 704 704 MAN MAN C . AA 5 MAN 5 705 705 MAN MAN C . BA 5 MAN 6 706 706 MAN MAN C . CA 3 NAG 1 707 707 NAG NAG C . DA 3 NAG 2 708 708 NAG NAG C . EA 3 NAG 1 709 709 NAG NAG C . FA 3 NAG 2 710 710 NAG NAG C . GA 6 CAC 1 711 711 CAC CAC C . HA 3 NAG 1 701 701 NAG NAG D . IA 3 NAG 2 702 702 NAG NAG D . JA 3 NAG 1 703 703 NAG NAG D . KA 7 HOH 1 801 801 HOH HOH A . KA 7 HOH 2 802 949 HOH HOH A . KA 7 HOH 3 803 802 HOH HOH A . KA 7 HOH 4 804 803 HOH HOH A . KA 7 HOH 5 805 804 HOH HOH A . KA 7 HOH 6 806 805 HOH HOH A . KA 7 HOH 7 807 806 HOH HOH A . KA 7 HOH 8 808 807 HOH HOH A . KA 7 HOH 9 809 808 HOH HOH A . KA 7 HOH 10 810 809 HOH HOH A . KA 7 HOH 11 811 810 HOH HOH A . KA 7 HOH 12 812 811 HOH HOH A . KA 7 HOH 13 813 812 HOH HOH A . KA 7 HOH 14 814 813 HOH HOH A . KA 7 HOH 15 815 814 HOH HOH A . KA 7 HOH 16 816 815 HOH HOH A . KA 7 HOH 17 817 816 HOH HOH A . KA 7 HOH 18 818 817 HOH HOH A . KA 7 HOH 19 819 818 HOH HOH A . KA 7 HOH 20 820 819 HOH HOH A . KA 7 HOH 21 821 820 HOH HOH A . KA 7 HOH 22 822 821 HOH HOH A . KA 7 HOH 23 823 822 HOH HOH A . KA 7 HOH 24 824 823 HOH HOH A . KA 7 HOH 25 825 824 HOH HOH A . KA 7 HOH 26 826 825 HOH HOH A . KA 7 HOH 27 827 826 HOH HOH A . KA 7 HOH 28 828 827 HOH HOH A . KA 7 HOH 29 829 828 HOH HOH A . KA 7 HOH 30 830 829 HOH HOH A . KA 7 HOH 31 831 830 HOH HOH A . KA 7 HOH 32 832 831 HOH HOH A . KA 7 HOH 33 833 832 HOH HOH A . KA 7 HOH 34 834 833 HOH HOH A . KA 7 HOH 35 835 834 HOH HOH A . KA 7 HOH 36 836 835 HOH HOH A . KA 7 HOH 37 837 836 HOH HOH A . KA 7 HOH 38 838 837 HOH HOH A . KA 7 HOH 39 839 838 HOH HOH A . KA 7 HOH 40 840 839 HOH HOH A . KA 7 HOH 41 841 840 HOH HOH A . KA 7 HOH 42 842 841 HOH HOH A . KA 7 HOH 43 843 842 HOH HOH A . KA 7 HOH 44 844 843 HOH HOH A . KA 7 HOH 45 845 844 HOH HOH A . KA 7 HOH 46 846 845 HOH HOH A . KA 7 HOH 47 847 846 HOH HOH A . KA 7 HOH 48 848 847 HOH HOH A . KA 7 HOH 49 849 848 HOH HOH A . KA 7 HOH 50 850 849 HOH HOH A . KA 7 HOH 51 851 850 HOH HOH A . KA 7 HOH 52 852 851 HOH HOH A . KA 7 HOH 53 853 852 HOH HOH A . KA 7 HOH 54 854 853 HOH HOH A . KA 7 HOH 55 855 854 HOH HOH A . KA 7 HOH 56 856 855 HOH HOH A . KA 7 HOH 57 857 856 HOH HOH A . KA 7 HOH 58 858 857 HOH HOH A . KA 7 HOH 59 859 858 HOH HOH A . KA 7 HOH 60 860 859 HOH HOH A . KA 7 HOH 61 861 860 HOH HOH A . KA 7 HOH 62 862 861 HOH HOH A . KA 7 HOH 63 863 862 HOH HOH A . KA 7 HOH 64 864 863 HOH HOH A . KA 7 HOH 65 865 864 HOH HOH A . KA 7 HOH 66 866 865 HOH HOH A . KA 7 HOH 67 867 866 HOH HOH A . KA 7 HOH 68 868 867 HOH HOH A . KA 7 HOH 69 869 868 HOH HOH A . KA 7 HOH 70 870 869 HOH HOH A . KA 7 HOH 71 871 870 HOH HOH A . KA 7 HOH 72 872 871 HOH HOH A . KA 7 HOH 73 873 872 HOH HOH A . KA 7 HOH 74 874 873 HOH HOH A . KA 7 HOH 75 875 874 HOH HOH A . KA 7 HOH 76 876 875 HOH HOH A . KA 7 HOH 77 877 876 HOH HOH A . KA 7 HOH 78 878 877 HOH HOH A . KA 7 HOH 79 879 878 HOH HOH A . KA 7 HOH 80 880 879 HOH HOH A . KA 7 HOH 81 881 880 HOH HOH A . KA 7 HOH 82 882 881 HOH HOH A . KA 7 HOH 83 883 882 HOH HOH A . KA 7 HOH 84 884 883 HOH HOH A . KA 7 HOH 85 885 884 HOH HOH A . KA 7 HOH 86 886 885 HOH HOH A . KA 7 HOH 87 887 886 HOH HOH A . KA 7 HOH 88 888 887 HOH HOH A . KA 7 HOH 89 889 888 HOH HOH A . KA 7 HOH 90 890 889 HOH HOH A . KA 7 HOH 91 891 890 HOH HOH A . KA 7 HOH 92 892 891 HOH HOH A . KA 7 HOH 93 893 892 HOH HOH A . KA 7 HOH 94 894 893 HOH HOH A . KA 7 HOH 95 895 894 HOH HOH A . KA 7 HOH 96 896 895 HOH HOH A . KA 7 HOH 97 897 896 HOH HOH A . KA 7 HOH 98 898 897 HOH HOH A . KA 7 HOH 99 899 898 HOH HOH A . KA 7 HOH 100 900 899 HOH HOH A . KA 7 HOH 101 901 900 HOH HOH A . KA 7 HOH 102 902 901 HOH HOH A . KA 7 HOH 103 903 902 HOH HOH A . KA 7 HOH 104 904 903 HOH HOH A . KA 7 HOH 105 905 904 HOH HOH A . KA 7 HOH 106 906 905 HOH HOH A . KA 7 HOH 107 907 906 HOH HOH A . KA 7 HOH 108 908 907 HOH HOH A . KA 7 HOH 109 909 908 HOH HOH A . KA 7 HOH 110 910 909 HOH HOH A . KA 7 HOH 111 911 910 HOH HOH A . KA 7 HOH 112 912 911 HOH HOH A . KA 7 HOH 113 913 912 HOH HOH A . KA 7 HOH 114 914 913 HOH HOH A . KA 7 HOH 115 915 914 HOH HOH A . KA 7 HOH 116 916 915 HOH HOH A . KA 7 HOH 117 917 916 HOH HOH A . KA 7 HOH 118 918 917 HOH HOH A . KA 7 HOH 119 919 918 HOH HOH A . KA 7 HOH 120 920 919 HOH HOH A . KA 7 HOH 121 921 920 HOH HOH A . KA 7 HOH 122 922 921 HOH HOH A . KA 7 HOH 123 923 922 HOH HOH A . KA 7 HOH 124 924 923 HOH HOH A . KA 7 HOH 125 925 924 HOH HOH A . KA 7 HOH 126 926 925 HOH HOH A . KA 7 HOH 127 927 926 HOH HOH A . KA 7 HOH 128 928 927 HOH HOH A . KA 7 HOH 129 929 928 HOH HOH A . KA 7 HOH 130 930 929 HOH HOH A . KA 7 HOH 131 931 930 HOH HOH A . KA 7 HOH 132 932 931 HOH HOH A . KA 7 HOH 133 933 932 HOH HOH A . KA 7 HOH 134 934 933 HOH HOH A . KA 7 HOH 135 935 934 HOH HOH A . KA 7 HOH 136 936 935 HOH HOH A . KA 7 HOH 137 937 936 HOH HOH A . KA 7 HOH 138 938 937 HOH HOH A . KA 7 HOH 139 939 938 HOH HOH A . KA 7 HOH 140 940 939 HOH HOH A . KA 7 HOH 141 941 940 HOH HOH A . KA 7 HOH 142 942 941 HOH HOH A . KA 7 HOH 143 943 942 HOH HOH A . KA 7 HOH 144 944 943 HOH HOH A . KA 7 HOH 145 945 944 HOH HOH A . KA 7 HOH 146 946 945 HOH HOH A . KA 7 HOH 147 947 946 HOH HOH A . KA 7 HOH 148 948 947 HOH HOH A . KA 7 HOH 149 949 948 HOH HOH A . KA 7 HOH 150 950 950 HOH HOH A . KA 7 HOH 151 951 951 HOH HOH A . KA 7 HOH 152 952 952 HOH HOH A . KA 7 HOH 153 953 953 HOH HOH A . KA 7 HOH 154 954 954 HOH HOH A . KA 7 HOH 155 955 955 HOH HOH A . KA 7 HOH 156 956 956 HOH HOH A . KA 7 HOH 157 957 957 HOH HOH A . KA 7 HOH 158 958 958 HOH HOH A . KA 7 HOH 159 959 959 HOH HOH A . KA 7 HOH 160 960 960 HOH HOH A . KA 7 HOH 161 961 961 HOH HOH A . KA 7 HOH 162 962 962 HOH HOH A . KA 7 HOH 163 963 963 HOH HOH A . KA 7 HOH 164 964 964 HOH HOH A . KA 7 HOH 165 965 965 HOH HOH A . KA 7 HOH 166 966 966 HOH HOH A . KA 7 HOH 167 967 967 HOH HOH A . KA 7 HOH 168 968 968 HOH HOH A . KA 7 HOH 169 969 969 HOH HOH A . KA 7 HOH 170 970 970 HOH HOH A . KA 7 HOH 171 971 971 HOH HOH A . KA 7 HOH 172 972 972 HOH HOH A . KA 7 HOH 173 973 973 HOH HOH A . KA 7 HOH 174 974 974 HOH HOH A . KA 7 HOH 175 975 975 HOH HOH A . KA 7 HOH 176 976 976 HOH HOH A . KA 7 HOH 177 977 977 HOH HOH A . KA 7 HOH 178 978 978 HOH HOH A . KA 7 HOH 179 979 979 HOH HOH A . KA 7 HOH 180 980 980 HOH HOH A . KA 7 HOH 181 981 981 HOH HOH A . KA 7 HOH 182 982 982 HOH HOH A . KA 7 HOH 183 983 983 HOH HOH A . KA 7 HOH 184 984 984 HOH HOH A . KA 7 HOH 185 985 985 HOH HOH A . KA 7 HOH 186 986 986 HOH HOH A . KA 7 HOH 187 987 988 HOH HOH A . KA 7 HOH 188 988 989 HOH HOH A . KA 7 HOH 189 989 990 HOH HOH A . KA 7 HOH 190 990 991 HOH HOH A . KA 7 HOH 191 991 992 HOH HOH A . KA 7 HOH 192 992 993 HOH HOH A . KA 7 HOH 193 993 994 HOH HOH A . KA 7 HOH 194 994 995 HOH HOH A . KA 7 HOH 195 995 996 HOH HOH A . KA 7 HOH 196 996 997 HOH HOH A . KA 7 HOH 197 997 998 HOH HOH A . KA 7 HOH 198 998 999 HOH HOH A . KA 7 HOH 199 999 1000 HOH HOH A . KA 7 HOH 200 1000 1001 HOH HOH A . KA 7 HOH 201 1001 1002 HOH HOH A . KA 7 HOH 202 1002 1003 HOH HOH A . KA 7 HOH 203 1003 1004 HOH HOH A . KA 7 HOH 204 1004 1005 HOH HOH A . KA 7 HOH 205 1005 1006 HOH HOH A . KA 7 HOH 206 1006 1007 HOH HOH A . KA 7 HOH 207 1007 1008 HOH HOH A . KA 7 HOH 208 1008 1009 HOH HOH A . KA 7 HOH 209 1009 1010 HOH HOH A . KA 7 HOH 210 1010 1011 HOH HOH A . KA 7 HOH 211 1011 1012 HOH HOH A . KA 7 HOH 212 1012 1013 HOH HOH A . KA 7 HOH 213 1013 1014 HOH HOH A . KA 7 HOH 214 1014 1015 HOH HOH A . KA 7 HOH 215 1015 1016 HOH HOH A . KA 7 HOH 216 1016 1017 HOH HOH A . KA 7 HOH 217 1017 1018 HOH HOH A . KA 7 HOH 218 1018 1019 HOH HOH A . KA 7 HOH 219 1019 1020 HOH HOH A . KA 7 HOH 220 1020 1021 HOH HOH A . KA 7 HOH 221 1021 1022 HOH HOH A . KA 7 HOH 222 1022 1023 HOH HOH A . KA 7 HOH 223 1023 1024 HOH HOH A . KA 7 HOH 224 1024 1025 HOH HOH A . KA 7 HOH 225 1025 1026 HOH HOH A . KA 7 HOH 226 1026 1027 HOH HOH A . KA 7 HOH 227 1027 1028 HOH HOH A . KA 7 HOH 228 1028 1029 HOH HOH A . KA 7 HOH 229 1029 1030 HOH HOH A . KA 7 HOH 230 1030 1031 HOH HOH A . KA 7 HOH 231 1031 987 HOH HOH A . KA 7 HOH 232 1032 1032 HOH HOH A . KA 7 HOH 233 1033 1033 HOH HOH A . KA 7 HOH 234 1034 1034 HOH HOH A . KA 7 HOH 235 1035 1035 HOH HOH A . KA 7 HOH 236 1036 1036 HOH HOH A . KA 7 HOH 237 1037 1037 HOH HOH A . KA 7 HOH 238 1038 1038 HOH HOH A . KA 7 HOH 239 1039 1039 HOH HOH A . KA 7 HOH 240 1040 1040 HOH HOH A . KA 7 HOH 241 1041 1041 HOH HOH A . KA 7 HOH 242 1042 1042 HOH HOH A . KA 7 HOH 243 1043 1043 HOH HOH A . KA 7 HOH 244 1044 1044 HOH HOH A . KA 7 HOH 245 1045 1045 HOH HOH A . KA 7 HOH 246 1046 1046 HOH HOH A . KA 7 HOH 247 1047 1047 HOH HOH A . KA 7 HOH 248 1048 1048 HOH HOH A . KA 7 HOH 249 1049 1049 HOH HOH A . KA 7 HOH 250 1050 1050 HOH HOH A . KA 7 HOH 251 1051 1051 HOH HOH A . KA 7 HOH 252 1052 1052 HOH HOH A . KA 7 HOH 253 1053 1053 HOH HOH A . KA 7 HOH 254 1054 1054 HOH HOH A . KA 7 HOH 255 1055 1055 HOH HOH A . KA 7 HOH 256 1056 1056 HOH HOH A . KA 7 HOH 257 1057 1057 HOH HOH A . KA 7 HOH 258 1058 1058 HOH HOH A . KA 7 HOH 259 1059 1059 HOH HOH A . KA 7 HOH 260 1060 1060 HOH HOH A . KA 7 HOH 261 1061 1061 HOH HOH A . KA 7 HOH 262 1062 1062 HOH HOH A . KA 7 HOH 263 1063 1063 HOH HOH A . KA 7 HOH 264 1064 1064 HOH HOH A . LA 7 HOH 1 801 801 HOH HOH B . LA 7 HOH 2 802 802 HOH HOH B . LA 7 HOH 3 803 803 HOH HOH B . LA 7 HOH 4 804 804 HOH HOH B . LA 7 HOH 5 805 805 HOH HOH B . LA 7 HOH 6 806 806 HOH HOH B . LA 7 HOH 7 807 807 HOH HOH B . LA 7 HOH 8 808 808 HOH HOH B . LA 7 HOH 9 809 809 HOH HOH B . LA 7 HOH 10 810 810 HOH HOH B . LA 7 HOH 11 811 811 HOH HOH B . LA 7 HOH 12 812 812 HOH HOH B . LA 7 HOH 13 813 813 HOH HOH B . LA 7 HOH 14 814 814 HOH HOH B . LA 7 HOH 15 815 815 HOH HOH B . LA 7 HOH 16 816 816 HOH HOH B . LA 7 HOH 17 817 817 HOH HOH B . LA 7 HOH 18 818 818 HOH HOH B . LA 7 HOH 19 819 819 HOH HOH B . LA 7 HOH 20 820 820 HOH HOH B . LA 7 HOH 21 821 821 HOH HOH B . LA 7 HOH 22 822 822 HOH HOH B . LA 7 HOH 23 823 823 HOH HOH B . LA 7 HOH 24 824 824 HOH HOH B . LA 7 HOH 25 825 825 HOH HOH B . LA 7 HOH 26 826 826 HOH HOH B . LA 7 HOH 27 827 827 HOH HOH B . LA 7 HOH 28 828 828 HOH HOH B . LA 7 HOH 29 829 829 HOH HOH B . LA 7 HOH 30 830 830 HOH HOH B . LA 7 HOH 31 831 831 HOH HOH B . LA 7 HOH 32 832 832 HOH HOH B . LA 7 HOH 33 833 833 HOH HOH B . LA 7 HOH 34 834 834 HOH HOH B . LA 7 HOH 35 835 835 HOH HOH B . LA 7 HOH 36 836 836 HOH HOH B . LA 7 HOH 37 837 837 HOH HOH B . LA 7 HOH 38 838 838 HOH HOH B . LA 7 HOH 39 839 839 HOH HOH B . LA 7 HOH 40 840 840 HOH HOH B . LA 7 HOH 41 841 841 HOH HOH B . LA 7 HOH 42 842 842 HOH HOH B . LA 7 HOH 43 843 843 HOH HOH B . LA 7 HOH 44 844 844 HOH HOH B . LA 7 HOH 45 845 845 HOH HOH B . LA 7 HOH 46 846 846 HOH HOH B . LA 7 HOH 47 847 847 HOH HOH B . LA 7 HOH 48 848 848 HOH HOH B . LA 7 HOH 49 849 849 HOH HOH B . LA 7 HOH 50 850 850 HOH HOH B . LA 7 HOH 51 851 851 HOH HOH B . LA 7 HOH 52 852 852 HOH HOH B . LA 7 HOH 53 853 853 HOH HOH B . LA 7 HOH 54 854 854 HOH HOH B . LA 7 HOH 55 855 855 HOH HOH B . LA 7 HOH 56 856 856 HOH HOH B . LA 7 HOH 57 857 857 HOH HOH B . LA 7 HOH 58 858 858 HOH HOH B . MA 7 HOH 1 801 801 HOH HOH C . MA 7 HOH 2 802 807 HOH HOH C . MA 7 HOH 3 803 802 HOH HOH C . MA 7 HOH 4 804 803 HOH HOH C . MA 7 HOH 5 805 804 HOH HOH C . MA 7 HOH 6 806 805 HOH HOH C . MA 7 HOH 7 807 806 HOH HOH C . MA 7 HOH 8 808 808 HOH HOH C . MA 7 HOH 9 809 809 HOH HOH C . MA 7 HOH 10 810 810 HOH HOH C . MA 7 HOH 11 811 811 HOH HOH C . MA 7 HOH 12 812 812 HOH HOH C . MA 7 HOH 13 813 813 HOH HOH C . MA 7 HOH 14 814 814 HOH HOH C . MA 7 HOH 15 815 815 HOH HOH C . MA 7 HOH 16 816 816 HOH HOH C . MA 7 HOH 17 817 817 HOH HOH C . MA 7 HOH 18 818 818 HOH HOH C . MA 7 HOH 19 819 819 HOH HOH C . MA 7 HOH 20 820 820 HOH HOH C . MA 7 HOH 21 821 821 HOH HOH C . MA 7 HOH 22 822 822 HOH HOH C . MA 7 HOH 23 823 823 HOH HOH C . MA 7 HOH 24 824 824 HOH HOH C . MA 7 HOH 25 825 825 HOH HOH C . MA 7 HOH 26 826 826 HOH HOH C . MA 7 HOH 27 827 827 HOH HOH C . MA 7 HOH 28 828 828 HOH HOH C . MA 7 HOH 29 829 829 HOH HOH C . MA 7 HOH 30 830 830 HOH HOH C . MA 7 HOH 31 831 831 HOH HOH C . MA 7 HOH 32 832 832 HOH HOH C . MA 7 HOH 33 833 833 HOH HOH C . MA 7 HOH 34 834 834 HOH HOH C . MA 7 HOH 35 835 835 HOH HOH C . MA 7 HOH 36 836 836 HOH HOH C . MA 7 HOH 37 837 837 HOH HOH C . MA 7 HOH 38 838 838 HOH HOH C . MA 7 HOH 39 839 839 HOH HOH C . MA 7 HOH 40 840 840 HOH HOH C . MA 7 HOH 41 841 841 HOH HOH C . MA 7 HOH 42 842 842 HOH HOH C . MA 7 HOH 43 843 843 HOH HOH C . MA 7 HOH 44 844 844 HOH HOH C . MA 7 HOH 45 845 845 HOH HOH C . MA 7 HOH 46 846 846 HOH HOH C . MA 7 HOH 47 847 847 HOH HOH C . MA 7 HOH 48 848 848 HOH HOH C . MA 7 HOH 49 849 849 HOH HOH C . MA 7 HOH 50 850 850 HOH HOH C . MA 7 HOH 51 851 851 HOH HOH C . MA 7 HOH 52 852 852 HOH HOH C . MA 7 HOH 53 853 853 HOH HOH C . MA 7 HOH 54 854 854 HOH HOH C . MA 7 HOH 55 855 855 HOH HOH C . MA 7 HOH 56 856 856 HOH HOH C . MA 7 HOH 57 857 857 HOH HOH C . MA 7 HOH 58 858 858 HOH HOH C . MA 7 HOH 59 859 859 HOH HOH C . MA 7 HOH 60 860 860 HOH HOH C . MA 7 HOH 61 861 861 HOH HOH C . MA 7 HOH 62 862 862 HOH HOH C . MA 7 HOH 63 863 863 HOH HOH C . MA 7 HOH 64 864 864 HOH HOH C . MA 7 HOH 65 865 865 HOH HOH C . MA 7 HOH 66 866 866 HOH HOH C . MA 7 HOH 67 867 867 HOH HOH C . MA 7 HOH 68 868 868 HOH HOH C . MA 7 HOH 69 869 869 HOH HOH C . MA 7 HOH 70 870 870 HOH HOH C . MA 7 HOH 71 871 871 HOH HOH C . MA 7 HOH 72 872 872 HOH HOH C . MA 7 HOH 73 873 873 HOH HOH C . MA 7 HOH 74 874 874 HOH HOH C . MA 7 HOH 75 875 875 HOH HOH C . MA 7 HOH 76 876 876 HOH HOH C . MA 7 HOH 77 877 877 HOH HOH C . MA 7 HOH 78 878 878 HOH HOH C . MA 7 HOH 79 879 879 HOH HOH C . MA 7 HOH 80 880 880 HOH HOH C . MA 7 HOH 81 881 881 HOH HOH C . MA 7 HOH 82 882 882 HOH HOH C . MA 7 HOH 83 883 883 HOH HOH C . MA 7 HOH 84 884 884 HOH HOH C . MA 7 HOH 85 885 885 HOH HOH C . MA 7 HOH 86 886 886 HOH HOH C . MA 7 HOH 87 887 887 HOH HOH C . MA 7 HOH 88 888 888 HOH HOH C . MA 7 HOH 89 889 889 HOH HOH C . MA 7 HOH 90 890 890 HOH HOH C . MA 7 HOH 91 891 891 HOH HOH C . MA 7 HOH 92 892 892 HOH HOH C . MA 7 HOH 93 893 893 HOH HOH C . MA 7 HOH 94 894 894 HOH HOH C . MA 7 HOH 95 895 895 HOH HOH C . MA 7 HOH 96 896 896 HOH HOH C . MA 7 HOH 97 897 897 HOH HOH C . MA 7 HOH 98 898 898 HOH HOH C . MA 7 HOH 99 899 899 HOH HOH C . MA 7 HOH 100 900 900 HOH HOH C . MA 7 HOH 101 901 901 HOH HOH C . MA 7 HOH 102 902 902 HOH HOH C . MA 7 HOH 103 903 903 HOH HOH C . MA 7 HOH 104 904 904 HOH HOH C . MA 7 HOH 105 905 905 HOH HOH C . MA 7 HOH 106 906 906 HOH HOH C . MA 7 HOH 107 907 907 HOH HOH C . MA 7 HOH 108 908 908 HOH HOH C . MA 7 HOH 109 909 909 HOH HOH C . MA 7 HOH 110 910 910 HOH HOH C . MA 7 HOH 111 911 911 HOH HOH C . MA 7 HOH 112 912 912 HOH HOH C . MA 7 HOH 113 913 913 HOH HOH C . MA 7 HOH 114 914 914 HOH HOH C . MA 7 HOH 115 915 915 HOH HOH C . MA 7 HOH 116 916 916 HOH HOH C . MA 7 HOH 117 917 917 HOH HOH C . MA 7 HOH 118 918 918 HOH HOH C . MA 7 HOH 119 919 920 HOH HOH C . MA 7 HOH 120 920 967 HOH HOH C . MA 7 HOH 121 921 921 HOH HOH C . MA 7 HOH 122 922 922 HOH HOH C . MA 7 HOH 123 923 923 HOH HOH C . MA 7 HOH 124 924 924 HOH HOH C . MA 7 HOH 125 925 925 HOH HOH C . MA 7 HOH 126 926 926 HOH HOH C . MA 7 HOH 127 927 927 HOH HOH C . MA 7 HOH 128 928 928 HOH HOH C . MA 7 HOH 129 929 929 HOH HOH C . MA 7 HOH 130 930 930 HOH HOH C . MA 7 HOH 131 931 931 HOH HOH C . MA 7 HOH 132 932 932 HOH HOH C . MA 7 HOH 133 933 933 HOH HOH C . MA 7 HOH 134 934 919 HOH HOH C . MA 7 HOH 135 935 934 HOH HOH C . MA 7 HOH 136 936 935 HOH HOH C . MA 7 HOH 137 937 936 HOH HOH C . MA 7 HOH 138 938 937 HOH HOH C . MA 7 HOH 139 939 938 HOH HOH C . MA 7 HOH 140 940 939 HOH HOH C . MA 7 HOH 141 941 940 HOH HOH C . MA 7 HOH 142 942 941 HOH HOH C . MA 7 HOH 143 943 942 HOH HOH C . MA 7 HOH 144 944 943 HOH HOH C . MA 7 HOH 145 945 944 HOH HOH C . MA 7 HOH 146 946 945 HOH HOH C . MA 7 HOH 147 947 946 HOH HOH C . MA 7 HOH 148 948 947 HOH HOH C . MA 7 HOH 149 949 948 HOH HOH C . MA 7 HOH 150 950 949 HOH HOH C . MA 7 HOH 151 951 950 HOH HOH C . MA 7 HOH 152 952 951 HOH HOH C . MA 7 HOH 153 953 952 HOH HOH C . MA 7 HOH 154 954 953 HOH HOH C . MA 7 HOH 155 955 954 HOH HOH C . MA 7 HOH 156 956 955 HOH HOH C . MA 7 HOH 157 957 956 HOH HOH C . MA 7 HOH 158 958 957 HOH HOH C . MA 7 HOH 159 959 958 HOH HOH C . MA 7 HOH 160 960 959 HOH HOH C . MA 7 HOH 161 961 960 HOH HOH C . MA 7 HOH 162 962 961 HOH HOH C . MA 7 HOH 163 963 962 HOH HOH C . MA 7 HOH 164 964 963 HOH HOH C . MA 7 HOH 165 965 964 HOH HOH C . MA 7 HOH 166 966 965 HOH HOH C . MA 7 HOH 167 967 966 HOH HOH C . MA 7 HOH 168 968 968 HOH HOH C . MA 7 HOH 169 969 969 HOH HOH C . MA 7 HOH 170 970 970 HOH HOH C . MA 7 HOH 171 971 971 HOH HOH C . MA 7 HOH 172 972 972 HOH HOH C . MA 7 HOH 173 973 973 HOH HOH C . MA 7 HOH 174 974 974 HOH HOH C . MA 7 HOH 175 975 975 HOH HOH C . MA 7 HOH 176 976 976 HOH HOH C . MA 7 HOH 177 977 977 HOH HOH C . MA 7 HOH 178 978 978 HOH HOH C . MA 7 HOH 179 979 979 HOH HOH C . MA 7 HOH 180 980 980 HOH HOH C . MA 7 HOH 181 981 981 HOH HOH C . MA 7 HOH 182 982 982 HOH HOH C . MA 7 HOH 183 983 983 HOH HOH C . MA 7 HOH 184 984 985 HOH HOH C . MA 7 HOH 185 985 984 HOH HOH C . MA 7 HOH 186 986 986 HOH HOH C . MA 7 HOH 187 987 987 HOH HOH C . MA 7 HOH 188 988 988 HOH HOH C . MA 7 HOH 189 989 989 HOH HOH C . MA 7 HOH 190 990 990 HOH HOH C . MA 7 HOH 191 991 991 HOH HOH C . MA 7 HOH 192 992 992 HOH HOH C . MA 7 HOH 193 993 993 HOH HOH C . MA 7 HOH 194 994 994 HOH HOH C . MA 7 HOH 195 995 995 HOH HOH C . MA 7 HOH 196 996 996 HOH HOH C . MA 7 HOH 197 997 997 HOH HOH C . MA 7 HOH 198 998 998 HOH HOH C . MA 7 HOH 199 999 999 HOH HOH C . MA 7 HOH 200 1000 1000 HOH HOH C . MA 7 HOH 201 1001 1001 HOH HOH C . MA 7 HOH 202 1002 1002 HOH HOH C . MA 7 HOH 203 1003 1003 HOH HOH C . MA 7 HOH 204 1004 1004 HOH HOH C . MA 7 HOH 205 1005 1005 HOH HOH C . MA 7 HOH 206 1006 1006 HOH HOH C . MA 7 HOH 207 1007 1007 HOH HOH C . MA 7 HOH 208 1008 1008 HOH HOH C . MA 7 HOH 209 1009 1009 HOH HOH C . MA 7 HOH 210 1010 1010 HOH HOH C . MA 7 HOH 211 1011 1011 HOH HOH C . MA 7 HOH 212 1012 1012 HOH HOH C . MA 7 HOH 213 1013 1013 HOH HOH C . MA 7 HOH 214 1014 1014 HOH HOH C . MA 7 HOH 215 1015 1015 HOH HOH C . MA 7 HOH 216 1016 1016 HOH HOH C . MA 7 HOH 217 1017 1017 HOH HOH C . MA 7 HOH 218 1018 1018 HOH HOH C . MA 7 HOH 219 1019 1019 HOH HOH C . MA 7 HOH 220 1020 1020 HOH HOH C . MA 7 HOH 221 1021 1021 HOH HOH C . MA 7 HOH 222 1022 1022 HOH HOH C . MA 7 HOH 223 1023 1023 HOH HOH C . NA 7 HOH 1 801 801 HOH HOH D . NA 7 HOH 2 802 802 HOH HOH D . NA 7 HOH 3 803 803 HOH HOH D . NA 7 HOH 4 804 804 HOH HOH D . NA 7 HOH 5 805 805 HOH HOH D . NA 7 HOH 6 806 806 HOH HOH D . NA 7 HOH 7 807 807 HOH HOH D . NA 7 HOH 8 808 808 HOH HOH D . NA 7 HOH 9 809 809 HOH HOH D . NA 7 HOH 10 810 810 HOH HOH D . NA 7 HOH 11 811 811 HOH HOH D . NA 7 HOH 12 812 812 HOH HOH D . NA 7 HOH 13 813 813 HOH HOH D . NA 7 HOH 14 814 814 HOH HOH D . NA 7 HOH 15 815 815 HOH HOH D . NA 7 HOH 16 816 816 HOH HOH D . NA 7 HOH 17 817 817 HOH HOH D . NA 7 HOH 18 818 818 HOH HOH D . NA 7 HOH 19 819 819 HOH HOH D . NA 7 HOH 20 820 820 HOH HOH D . NA 7 HOH 21 821 821 HOH HOH D . # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA hexameric 6 2 author_and_software_defined_assembly PISA hexameric 6 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1,2,4 A,B,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,KA,LA 2 1,3,5 C,D,W,X,Y,Z,AA,BA,CA,DA,EA,FA,GA,HA,IA,JA,MA,NA # 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)' 46300 ? 1 MORE 94 ? 1 'SSA (A^2)' 66750 ? 2 'ABSA (A^2)' 42290 ? 2 MORE 58 ? 2 'SSA (A^2)' 67310 ? # 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' 5_555 z,x,y 0.0000000000 0.0000000000 1.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 3 'crystal symmetry operation' 7_454 -z-1/2,-x,y-1/2 0.0000000000 0.0000000000 -1.0000000000 -82.6105000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 -82.6105000000 4 'crystal symmetry operation' 9_555 y,z,x 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 5 'crystal symmetry operation' 10_554 -y,z+1/2,-x-1/2 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 82.6105000000 -1.0000000000 0.0000000000 0.0000000000 -82.6105000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2016-03-23 2 'Structure model' 1 1 2018-09-05 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Data collection' 2 2 'Structure model' 'Database references' 3 2 'Structure model' 'Derived calculations' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' citation 2 2 'Structure model' pdbx_struct_oper_list # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_citation.journal_abbrev' 2 2 'Structure model' '_citation.page_first' 3 2 'Structure model' '_citation.page_last' 4 2 'Structure model' '_citation.pdbx_database_id_DOI' 5 2 'Structure model' '_citation.pdbx_database_id_PubMed' 6 2 'Structure model' '_pdbx_struct_oper_list.symmetry_operation' # _pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls.id 1 _pdbx_refine_tls.details ? _pdbx_refine_tls.method refined _pdbx_refine_tls.origin_x -6.9429 _pdbx_refine_tls.origin_y 2.2969 _pdbx_refine_tls.origin_z -39.7052 _pdbx_refine_tls.T[1][1] 0.0776 _pdbx_refine_tls.T[2][2] 0.0962 _pdbx_refine_tls.T[3][3] 0.0955 _pdbx_refine_tls.T[1][2] 0.0019 _pdbx_refine_tls.T[1][3] 0.0047 _pdbx_refine_tls.T[2][3] 0.0128 _pdbx_refine_tls.L[1][1] 0.0514 _pdbx_refine_tls.L[2][2] 0.1226 _pdbx_refine_tls.L[3][3] 0.0472 _pdbx_refine_tls.L[1][2] 0.0069 _pdbx_refine_tls.L[1][3] 0.0049 _pdbx_refine_tls.L[2][3] -0.0895 _pdbx_refine_tls.S[1][1] -0.0030 _pdbx_refine_tls.S[1][2] 0.0240 _pdbx_refine_tls.S[1][3] 0.0036 _pdbx_refine_tls.S[2][1] -0.0216 _pdbx_refine_tls.S[2][2] -0.0027 _pdbx_refine_tls.S[2][3] -0.0049 _pdbx_refine_tls.S[3][1] 0.0088 _pdbx_refine_tls.S[3][2] 0.0216 _pdbx_refine_tls.S[3][3] -0.0003 # _pdbx_refine_tls_group.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls_group.id 1 _pdbx_refine_tls_group.refine_tls_id 1 _pdbx_refine_tls_group.beg_auth_asym_id ? _pdbx_refine_tls_group.beg_auth_seq_id ? _pdbx_refine_tls_group.beg_label_asym_id ? _pdbx_refine_tls_group.beg_label_seq_id ? _pdbx_refine_tls_group.end_auth_asym_id ? _pdbx_refine_tls_group.end_auth_seq_id ? _pdbx_refine_tls_group.end_label_asym_id ? _pdbx_refine_tls_group.end_label_seq_id ? _pdbx_refine_tls_group.selection ? _pdbx_refine_tls_group.selection_details 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 ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.9_1692 1 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 2 ? 'data collection' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 3 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 4 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 5 # 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 OE1 A GLN 198 ? ? O A HOH 802 ? ? 0.34 2 1 CD A GLN 198 ? ? O A HOH 802 ? ? 0.98 3 1 O C ASN 192 ? ? CG2 C VAL 199 ? ? 1.56 4 1 OG A SER 57 ? ? AS A CAC 715 ? ? 1.79 5 1 OG C SER 57 ? ? AS C CAC 711 ? ? 1.80 6 1 O A HOH 1061 ? ? O A HOH 1062 ? ? 1.86 7 1 O A HOH 1043 ? ? O A HOH 1060 ? ? 1.86 8 1 OE1 A GLU 114 ? ? O A HOH 801 ? ? 1.87 9 1 NE2 A GLN 198 ? ? O A HOH 802 ? ? 1.90 10 1 O A HOH 805 ? ? O B HOH 822 ? ? 1.92 11 1 O A HOH 1045 ? ? O A HOH 1058 ? ? 1.96 12 1 O B GLY 10 ? ? O B HOH 801 ? ? 1.97 13 1 O C HOH 959 ? ? O C HOH 977 ? ? 1.98 14 1 O C HOH 927 ? ? O C HOH 992 ? ? 1.99 15 1 SG C CYS 200 ? ? CB C CYS 242 ? ? 2.02 16 1 OH C TYR 139 ? ? O C HOH 801 ? ? 2.05 17 1 O3 C BMA 703 ? ? O C HOH 802 ? ? 2.05 18 1 OE1 A GLN 247 ? ? O A HOH 803 ? ? 2.05 19 1 O A THR 415 ? ? NH1 B ARG 101 ? ? 2.10 20 1 O A HOH 857 ? ? O A HOH 1015 ? ? 2.10 21 1 O4 A NAG 714 ? ? O A HOH 804 ? ? 2.11 22 1 O4 C NAG 708 ? ? O C HOH 803 ? ? 2.11 23 1 OE2 B GLU 118 ? ? O B HOH 802 ? ? 2.12 24 1 O A SER 19 ? ? O A HOH 805 ? ? 2.13 25 1 OD2 A ASP 137 ? ? O A HOH 806 ? ? 2.13 26 1 OE1 B GLU 114 ? ? O B HOH 803 ? ? 2.14 27 1 O C CYS 242 ? ? O C HOH 804 ? ? 2.15 28 1 O A HOH 865 ? ? O A HOH 944 ? ? 2.15 29 1 C C ASN 192 ? ? CG2 C VAL 199 ? ? 2.15 30 1 OE1 C GLU 144 ? ? O C HOH 805 ? ? 2.15 31 1 O B HOH 802 ? ? O B HOH 855 ? ? 2.16 32 1 O A HOH 1010 ? ? O A HOH 1023 ? ? 2.16 33 1 OG1 C THR 294 ? ? O C HOH 806 ? ? 2.16 34 1 O C HOH 900 ? ? O C HOH 949 ? ? 2.17 35 1 O A HOH 975 ? ? O A HOH 1054 ? ? 2.17 36 1 O C ALA 425 ? ? O C HOH 807 ? ? 2.17 37 1 O A HOH 1025 ? ? O A HOH 1054 ? ? 2.17 38 1 O C HOH 845 ? ? O C HOH 1004 ? ? 2.17 39 1 O C HOH 946 ? ? O C HOH 972 ? ? 2.18 40 1 O A HOH 859 ? ? O A HOH 988 ? ? 2.18 # loop_ _pdbx_validate_symm_contact.id _pdbx_validate_symm_contact.PDB_model_num _pdbx_validate_symm_contact.auth_atom_id_1 _pdbx_validate_symm_contact.auth_asym_id_1 _pdbx_validate_symm_contact.auth_comp_id_1 _pdbx_validate_symm_contact.auth_seq_id_1 _pdbx_validate_symm_contact.PDB_ins_code_1 _pdbx_validate_symm_contact.label_alt_id_1 _pdbx_validate_symm_contact.site_symmetry_1 _pdbx_validate_symm_contact.auth_atom_id_2 _pdbx_validate_symm_contact.auth_asym_id_2 _pdbx_validate_symm_contact.auth_comp_id_2 _pdbx_validate_symm_contact.auth_seq_id_2 _pdbx_validate_symm_contact.PDB_ins_code_2 _pdbx_validate_symm_contact.label_alt_id_2 _pdbx_validate_symm_contact.site_symmetry_2 _pdbx_validate_symm_contact.dist 1 1 O A HOH 1005 ? ? 1_555 O C HOH 1000 ? ? 3_544 2.12 2 1 O A ALA 425 ? ? 1_555 O B HOH 802 ? ? 5_555 2.12 # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 CB _pdbx_validate_rmsd_angle.auth_asym_id_1 D _pdbx_validate_rmsd_angle.auth_comp_id_1 ASP _pdbx_validate_rmsd_angle.auth_seq_id_1 142 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 CG _pdbx_validate_rmsd_angle.auth_asym_id_2 D _pdbx_validate_rmsd_angle.auth_comp_id_2 ASP _pdbx_validate_rmsd_angle.auth_seq_id_2 142 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 OD1 _pdbx_validate_rmsd_angle.auth_asym_id_3 D _pdbx_validate_rmsd_angle.auth_comp_id_3 ASP _pdbx_validate_rmsd_angle.auth_seq_id_3 142 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 125.35 _pdbx_validate_rmsd_angle.angle_target_value 118.30 _pdbx_validate_rmsd_angle.angle_deviation 7.05 _pdbx_validate_rmsd_angle.angle_standard_deviation 0.90 _pdbx_validate_rmsd_angle.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 ASP A 56 ? ? -130.20 -144.08 2 1 ASP A 100 ? ? -119.87 79.68 3 1 ASP A 125 ? ? -108.68 -85.31 4 1 ASN A 130 ? ? -171.16 94.25 5 1 SER A 178 ? ? -139.79 -141.25 6 1 MET A 180 ? ? -48.52 156.02 7 1 GLN A 198 ? ? -150.06 -23.54 8 1 ASP A 356 ? ? -117.87 -169.96 9 1 LEU B 11 ? ? 71.86 -19.01 10 1 VAL B 21 ? ? 60.41 119.63 11 1 SER B 30 ? ? -113.47 -120.61 12 1 ASN B 31 ? ? -85.33 -137.14 13 1 ALA B 37 ? ? -159.60 16.55 14 1 SER B 38 ? ? 57.51 169.86 15 1 VAL B 39 ? ? -173.05 135.50 16 1 SER B 41 ? ? -73.58 -145.10 17 1 GLN B 43 ? ? 73.42 145.86 18 1 ALA B 44 ? ? -103.74 -160.98 19 1 PHE B 46 ? ? -63.50 65.96 20 1 GLN B 132 ? ? 62.82 100.89 21 1 SER B 143 ? ? -67.70 51.21 22 1 GLU B 144 ? ? -129.06 -60.66 23 1 ASP B 147 ? ? -76.33 -116.84 24 1 ASP C 50 ? ? -141.31 54.27 25 1 ASP C 56 ? ? -131.95 -153.82 26 1 ASP C 125 ? ? -94.34 -83.86 27 1 ASN C 130 ? ? -160.53 93.77 28 1 SER C 178 ? ? -161.47 -143.95 29 1 LEU C 226 ? ? -113.76 78.38 30 1 ASN C 262 ? ? -79.22 34.58 31 1 ASN C 272 ? ? 61.89 -3.03 32 1 LEU D 11 ? ? 49.92 -21.62 33 1 VAL D 21 ? ? 62.56 108.32 34 1 ARG D 29 ? ? -119.77 -159.75 35 1 SER D 30 ? ? -140.26 -123.59 36 1 ASN D 31 ? ? -75.06 -114.43 37 1 ALA D 37 ? ? -151.29 -12.61 38 1 SER D 38 ? ? 67.13 170.00 39 1 SER D 41 ? ? -67.47 -153.70 40 1 GLN D 43 ? ? 46.20 151.70 41 1 GLN D 132 ? ? 64.20 105.94 42 1 ALA D 134 ? ? -112.45 61.23 43 1 SER D 143 ? ? -68.34 40.61 44 1 GLU D 144 ? ? -148.70 -81.42 45 1 ASN D 145 ? ? -34.16 -31.39 46 1 ASP D 147 ? ? -100.25 -71.55 47 1 ALA D 148 ? ? -156.14 -40.58 # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? A HOH 1063 ? 6.16 . 2 1 O ? A HOH 1064 ? 6.20 . 3 1 O ? C HOH 1023 ? 5.91 . # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 N 1 A CAC 715 ? O1 ? S CAC 1 O1 2 1 N 1 C CAC 711 ? O1 ? GA CAC 1 O1 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLY 194 ? A GLY 192 2 1 Y 1 A ALA 195 ? A ALA 193 3 1 Y 1 A LYS 196 ? A LYS 194 4 1 Y 1 B ILE 1 ? B ILE 1 5 1 Y 1 B PHE 2 ? B PHE 2 6 1 Y 1 B GLY 3 ? B GLY 3 7 1 Y 1 B ILE 4 ? B ILE 4 8 1 Y 1 B ASP 5 ? B ASP 5 9 1 Y 1 B ASP 6 ? B ASP 6 10 1 Y 1 B LEU 7 ? B LEU 7 11 1 Y 1 B ILE 8 ? B ILE 8 12 1 Y 1 B ASN 158 ? B ASN 158 13 1 Y 1 B GLY 159 ? B GLY 159 14 1 Y 1 B SER 160 ? B SER 160 15 1 Y 1 B ALA 161 ? B ALA 161 16 1 Y 1 B THR 162 ? B THR 162 17 1 Y 1 B VAL 163 ? B VAL 163 18 1 Y 1 B PRO 164 ? B PRO 164 19 1 Y 1 B THR 165 ? B THR 165 20 1 Y 1 B LEU 166 ? B LEU 166 21 1 Y 1 C GLY 194 ? C GLY 192 22 1 Y 1 C ALA 195 ? C ALA 193 23 1 Y 1 C LYS 196 ? C LYS 194 24 1 Y 1 C LYS 234 ? C LYS 232 25 1 Y 1 C ALA 235 ? C ALA 233 26 1 Y 1 C LYS 236 ? C LYS 234 27 1 Y 1 D ILE 1 ? D ILE 1 28 1 Y 1 D PHE 2 ? D PHE 2 29 1 Y 1 D GLY 3 ? D GLY 3 30 1 Y 1 D ILE 4 ? D ILE 4 31 1 Y 1 D ASP 5 ? D ASP 5 32 1 Y 1 D ASP 6 ? D ASP 6 33 1 Y 1 D LEU 7 ? D LEU 7 34 1 Y 1 D ILE 8 ? D ILE 8 35 1 Y 1 D ASN 158 ? D ASN 158 36 1 Y 1 D GLY 159 ? D GLY 159 37 1 Y 1 D SER 160 ? D SER 160 38 1 Y 1 D ALA 161 ? D ALA 161 39 1 Y 1 D THR 162 ? D THR 162 40 1 Y 1 D VAL 163 ? D VAL 163 41 1 Y 1 D PRO 164 ? D PRO 164 42 1 Y 1 D THR 165 ? D THR 165 43 1 Y 1 D LEU 166 ? D LEU 166 # 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 ALPHA-D-MANNOSE MAN 6 'CACODYLATE ION' CAC 7 water HOH #